USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 630 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 84:sc= 0.122! USER MOD Set 1.2: A 48 THR OG1 : rot -148:sc= 1.09 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0662 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot -60:sc= 0.128 USER MOD Single : A 40 TYR OH : rot 70:sc= 0.598 USER MOD Single : A 42 SER OG : rot -118:sc= 1.1 USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 150:sc= 0 USER MOD Single : A 70 THR OG1 : rot -170:sc= -1.07 USER MOD Single : A 79 ASN :FLIP amide:sc= -1.03 F(o=-1.5,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -7.334 13.016 -9.127 1.00 0.00 N ATOM 2 CA MET A 1 -6.924 14.377 -8.680 1.00 0.00 C ATOM 3 C MET A 1 -6.908 14.427 -7.155 1.00 0.00 C ATOM 4 O MET A 1 -5.870 14.666 -6.539 1.00 0.00 O ATOM 5 CB MET A 1 -7.918 15.412 -9.215 1.00 0.00 C ATOM 6 CG MET A 1 -7.415 15.957 -10.552 1.00 0.00 C ATOM 7 SD MET A 1 -8.451 17.350 -11.064 1.00 0.00 S ATOM 8 CE MET A 1 -8.307 17.097 -12.851 1.00 0.00 C ATOM 0 H1 MET A 1 -7.345 12.981 -10.166 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.659 12.313 -8.764 1.00 0.00 H new ATOM 0 H3 MET A 1 -8.285 12.803 -8.763 1.00 0.00 H new ATOM 0 HA MET A 1 -5.928 14.600 -9.062 1.00 0.00 H new ATOM 0 HB2 MET A 1 -8.900 14.957 -9.342 1.00 0.00 H new ATOM 0 HB3 MET A 1 -8.034 16.225 -8.499 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.377 16.277 -10.459 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.441 15.173 -11.309 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.881 17.862 -13.374 1.00 0.00 H new ATOM 0 HE2 MET A 1 -7.260 17.165 -13.145 1.00 0.00 H new ATOM 0 HE3 MET A 1 -8.693 16.112 -13.111 1.00 0.00 H new ATOM 20 N ALA A 2 -8.073 14.199 -6.554 1.00 0.00 N ATOM 21 CA ALA A 2 -8.185 14.219 -5.099 1.00 0.00 C ATOM 22 C ALA A 2 -8.405 12.809 -4.557 1.00 0.00 C ATOM 23 O ALA A 2 -9.063 12.619 -3.534 1.00 0.00 O ATOM 24 CB ALA A 2 -9.353 15.107 -4.664 1.00 0.00 C ATOM 0 H ALA A 2 -8.944 14.000 -7.046 1.00 0.00 H new ATOM 0 HA ALA A 2 -7.254 14.619 -4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -9.422 15.110 -3.576 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -9.189 16.124 -5.020 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -10.281 14.720 -5.085 1.00 0.00 H new ATOM 30 N THR A 3 -7.849 11.823 -5.255 1.00 0.00 N ATOM 31 CA THR A 3 -7.990 10.432 -4.833 1.00 0.00 C ATOM 32 C THR A 3 -6.649 9.883 -4.357 1.00 0.00 C ATOM 33 O THR A 3 -5.600 10.194 -4.921 1.00 0.00 O ATOM 34 CB THR A 3 -8.504 9.568 -5.987 1.00 0.00 C ATOM 35 OG1 THR A 3 -9.490 10.289 -6.713 1.00 0.00 O ATOM 36 CG2 THR A 3 -9.116 8.281 -5.432 1.00 0.00 C ATOM 0 H THR A 3 -7.303 11.958 -6.106 1.00 0.00 H new ATOM 0 HA THR A 3 -8.708 10.401 -4.013 1.00 0.00 H new ATOM 0 HB THR A 3 -7.676 9.316 -6.649 1.00 0.00 H new ATOM 0 HG1 THR A 3 -9.819 9.738 -7.454 1.00 0.00 H new ATOM 0 HG21 THR A 3 -9.481 7.667 -6.255 1.00 0.00 H new ATOM 0 HG22 THR A 3 -8.359 7.728 -4.876 1.00 0.00 H new ATOM 0 HG23 THR A 3 -9.945 8.529 -4.769 1.00 0.00 H new ATOM 44 N LEU A 4 -6.696 9.065 -3.310 1.00 0.00 N ATOM 45 CA LEU A 4 -5.477 8.477 -2.762 1.00 0.00 C ATOM 46 C LEU A 4 -5.337 7.025 -3.208 1.00 0.00 C ATOM 47 O LEU A 4 -6.183 6.496 -3.928 1.00 0.00 O ATOM 48 CB LEU A 4 -5.498 8.532 -1.234 1.00 0.00 C ATOM 49 CG LEU A 4 -5.051 9.919 -0.767 1.00 0.00 C ATOM 50 CD1 LEU A 4 -5.691 10.238 0.584 1.00 0.00 C ATOM 51 CD2 LEU A 4 -3.528 9.941 -0.625 1.00 0.00 C ATOM 0 H LEU A 4 -7.554 8.796 -2.828 1.00 0.00 H new ATOM 0 HA LEU A 4 -4.629 9.052 -3.134 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -6.501 8.318 -0.866 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.838 7.768 -0.823 1.00 0.00 H new ATOM 0 HG LEU A 4 -5.362 10.664 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -5.371 11.226 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -6.776 10.222 0.485 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.383 9.493 1.318 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -3.208 10.928 -0.292 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -3.220 9.194 0.107 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -3.070 9.716 -1.588 1.00 0.00 H new ATOM 63 N LEU A 5 -4.256 6.387 -2.770 1.00 0.00 N ATOM 64 CA LEU A 5 -4.004 4.994 -3.126 1.00 0.00 C ATOM 65 C LEU A 5 -4.586 4.067 -2.069 1.00 0.00 C ATOM 66 O LEU A 5 -3.889 3.619 -1.162 1.00 0.00 O ATOM 67 CB LEU A 5 -2.494 4.742 -3.255 1.00 0.00 C ATOM 68 CG LEU A 5 -2.052 4.843 -4.726 1.00 0.00 C ATOM 69 CD1 LEU A 5 -2.615 3.659 -5.515 1.00 0.00 C ATOM 70 CD2 LEU A 5 -2.551 6.158 -5.346 1.00 0.00 C ATOM 0 H LEU A 5 -3.545 6.808 -2.172 1.00 0.00 H new ATOM 0 HA LEU A 5 -4.483 4.791 -4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -1.946 5.468 -2.654 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -2.250 3.755 -2.863 1.00 0.00 H new ATOM 0 HG LEU A 5 -0.963 4.825 -4.767 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -2.301 3.733 -6.556 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -2.242 2.728 -5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.704 3.672 -5.463 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -2.230 6.215 -6.386 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -3.639 6.192 -5.299 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -2.137 7.001 -4.793 1.00 0.00 H new ATOM 82 N THR A 6 -5.876 3.789 -2.197 1.00 0.00 N ATOM 83 CA THR A 6 -6.555 2.916 -1.244 1.00 0.00 C ATOM 84 C THR A 6 -6.342 1.450 -1.607 1.00 0.00 C ATOM 85 O THR A 6 -5.812 1.125 -2.672 1.00 0.00 O ATOM 86 CB THR A 6 -8.056 3.211 -1.227 1.00 0.00 C ATOM 87 OG1 THR A 6 -8.503 3.448 -2.554 1.00 0.00 O ATOM 88 CG2 THR A 6 -8.330 4.444 -0.365 1.00 0.00 C ATOM 0 H THR A 6 -6.470 4.150 -2.943 1.00 0.00 H new ATOM 0 HA THR A 6 -6.133 3.107 -0.257 1.00 0.00 H new ATOM 0 HB THR A 6 -8.589 2.357 -0.809 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.465 3.636 -2.547 1.00 0.00 H new ATOM 0 HG21 THR A 6 -9.400 4.651 -0.355 1.00 0.00 H new ATOM 0 HG22 THR A 6 -7.987 4.260 0.653 1.00 0.00 H new ATOM 0 HG23 THR A 6 -7.798 5.302 -0.777 1.00 0.00 H new ATOM 96 N THR A 7 -6.769 0.566 -0.709 1.00 0.00 N ATOM 97 CA THR A 7 -6.633 -0.870 -0.938 1.00 0.00 C ATOM 98 C THR A 7 -7.389 -1.270 -2.200 1.00 0.00 C ATOM 99 O THR A 7 -6.901 -2.054 -3.014 1.00 0.00 O ATOM 100 CB THR A 7 -7.182 -1.652 0.259 1.00 0.00 C ATOM 101 OG1 THR A 7 -6.544 -1.202 1.446 1.00 0.00 O ATOM 102 CG2 THR A 7 -6.909 -3.142 0.070 1.00 0.00 C ATOM 0 H THR A 7 -7.209 0.816 0.177 1.00 0.00 H new ATOM 0 HA THR A 7 -5.576 -1.105 -1.061 1.00 0.00 H new ATOM 0 HB THR A 7 -8.257 -1.490 0.335 1.00 0.00 H new ATOM 0 HG1 THR A 7 -6.894 -1.699 2.214 1.00 0.00 H new ATOM 0 HG21 THR A 7 -7.301 -3.695 0.924 1.00 0.00 H new ATOM 0 HG22 THR A 7 -7.396 -3.488 -0.841 1.00 0.00 H new ATOM 0 HG23 THR A 7 -5.835 -3.308 -0.007 1.00 0.00 H new ATOM 110 N ASP A 8 -8.582 -0.704 -2.359 1.00 0.00 N ATOM 111 CA ASP A 8 -9.397 -0.987 -3.538 1.00 0.00 C ATOM 112 C ASP A 8 -8.647 -0.574 -4.801 1.00 0.00 C ATOM 113 O ASP A 8 -8.804 -1.179 -5.861 1.00 0.00 O ATOM 114 CB ASP A 8 -10.723 -0.225 -3.470 1.00 0.00 C ATOM 115 CG ASP A 8 -11.745 -0.901 -4.377 1.00 0.00 C ATOM 116 OD1 ASP A 8 -11.692 -0.668 -5.574 1.00 0.00 O ATOM 117 OD2 ASP A 8 -12.566 -1.643 -3.862 1.00 0.00 O ATOM 0 H ASP A 8 -9.003 -0.054 -1.695 1.00 0.00 H new ATOM 0 HA ASP A 8 -9.601 -2.057 -3.564 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -11.090 -0.203 -2.444 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -10.576 0.810 -3.778 1.00 0.00 H new ATOM 122 N ASP A 9 -7.817 0.462 -4.671 1.00 0.00 N ATOM 123 CA ASP A 9 -7.032 0.945 -5.802 1.00 0.00 C ATOM 124 C ASP A 9 -6.046 -0.129 -6.246 1.00 0.00 C ATOM 125 O ASP A 9 -5.907 -0.407 -7.438 1.00 0.00 O ATOM 126 CB ASP A 9 -6.252 2.210 -5.425 1.00 0.00 C ATOM 127 CG ASP A 9 -5.615 2.806 -6.676 1.00 0.00 C ATOM 128 OD1 ASP A 9 -4.557 2.336 -7.059 1.00 0.00 O ATOM 129 OD2 ASP A 9 -6.195 3.725 -7.231 1.00 0.00 O ATOM 0 H ASP A 9 -7.673 0.977 -3.802 1.00 0.00 H new ATOM 0 HA ASP A 9 -7.720 1.180 -6.615 1.00 0.00 H new ATOM 0 HB2 ASP A 9 -6.919 2.937 -4.962 1.00 0.00 H new ATOM 0 HB3 ASP A 9 -5.483 1.971 -4.691 1.00 0.00 H new ATOM 134 N LEU A 10 -5.362 -0.735 -5.274 1.00 0.00 N ATOM 135 CA LEU A 10 -4.390 -1.784 -5.586 1.00 0.00 C ATOM 136 C LEU A 10 -5.089 -2.954 -6.295 1.00 0.00 C ATOM 137 O LEU A 10 -4.508 -3.622 -7.151 1.00 0.00 O ATOM 138 CB LEU A 10 -3.645 -2.236 -4.294 1.00 0.00 C ATOM 139 CG LEU A 10 -4.236 -3.520 -3.675 1.00 0.00 C ATOM 140 CD1 LEU A 10 -3.527 -4.739 -4.267 1.00 0.00 C ATOM 141 CD2 LEU A 10 -4.025 -3.508 -2.159 1.00 0.00 C ATOM 0 H LEU A 10 -5.460 -0.523 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.637 -1.390 -6.268 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.593 -2.402 -4.527 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.685 -1.433 -3.558 1.00 0.00 H new ATOM 0 HG LEU A 10 -5.303 -3.566 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.942 -5.648 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -3.672 -4.755 -5.347 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.461 -4.684 -4.044 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -4.444 -4.416 -1.726 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.958 -3.460 -1.940 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -4.523 -2.639 -1.729 1.00 0.00 H new ATOM 153 N ARG A 11 -6.346 -3.184 -5.919 1.00 0.00 N ATOM 154 CA ARG A 11 -7.132 -4.266 -6.510 1.00 0.00 C ATOM 155 C ARG A 11 -7.295 -4.060 -8.010 1.00 0.00 C ATOM 156 O ARG A 11 -6.966 -4.934 -8.808 1.00 0.00 O ATOM 157 CB ARG A 11 -8.522 -4.315 -5.876 1.00 0.00 C ATOM 158 CG ARG A 11 -9.095 -5.731 -5.998 1.00 0.00 C ATOM 159 CD ARG A 11 -8.317 -6.692 -5.095 1.00 0.00 C ATOM 160 NE ARG A 11 -8.044 -7.944 -5.798 1.00 0.00 N ATOM 161 CZ ARG A 11 -7.614 -9.018 -5.145 1.00 0.00 C ATOM 162 NH1 ARG A 11 -8.361 -9.564 -4.223 1.00 0.00 N ATOM 163 NH2 ARG A 11 -6.446 -9.526 -5.424 1.00 0.00 N ATOM 0 H ARG A 11 -6.840 -2.639 -5.212 1.00 0.00 H new ATOM 0 HA ARG A 11 -6.601 -5.200 -6.326 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.464 -4.025 -4.827 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -9.182 -3.601 -6.368 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -10.149 -5.731 -5.720 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.039 -6.067 -7.034 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -7.380 -6.230 -4.784 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -8.889 -6.893 -4.189 1.00 0.00 H new ATOM 0 HE ARG A 11 -8.186 -7.994 -6.807 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -9.274 -9.166 -4.005 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -8.031 -10.389 -3.722 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.863 -9.099 -6.143 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -6.116 -10.351 -4.923 1.00 0.00 H new ATOM 177 N ARG A 12 -7.826 -2.900 -8.376 1.00 0.00 N ATOM 178 CA ARG A 12 -8.054 -2.576 -9.787 1.00 0.00 C ATOM 179 C ARG A 12 -6.753 -2.656 -10.589 1.00 0.00 C ATOM 180 O ARG A 12 -6.761 -2.990 -11.775 1.00 0.00 O ATOM 181 CB ARG A 12 -8.647 -1.161 -9.917 1.00 0.00 C ATOM 182 CG ARG A 12 -10.098 -1.245 -10.403 1.00 0.00 C ATOM 183 CD ARG A 12 -11.042 -1.230 -9.199 1.00 0.00 C ATOM 184 NE ARG A 12 -12.427 -1.409 -9.628 1.00 0.00 N ATOM 185 CZ ARG A 12 -13.349 -0.485 -9.373 1.00 0.00 C ATOM 186 NH1 ARG A 12 -13.861 -0.386 -8.176 1.00 0.00 N ATOM 187 NH2 ARG A 12 -13.740 0.324 -10.319 1.00 0.00 N ATOM 0 H ARG A 12 -8.107 -2.169 -7.723 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.756 -3.307 -10.188 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.606 -0.650 -8.955 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.054 -0.572 -10.616 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -10.320 -0.407 -11.063 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -10.246 -2.156 -10.983 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.766 -2.023 -8.504 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.941 -0.286 -8.663 1.00 0.00 H new ATOM 0 HE ARG A 12 -12.691 -2.256 -10.131 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.554 -1.017 -7.436 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.568 0.323 -7.981 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -13.339 0.248 -11.254 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -14.447 1.033 -10.124 1.00 0.00 H new ATOM 201 N ALA A 13 -5.640 -2.339 -9.936 1.00 0.00 N ATOM 202 CA ALA A 13 -4.340 -2.372 -10.606 1.00 0.00 C ATOM 203 C ALA A 13 -3.901 -3.810 -10.874 1.00 0.00 C ATOM 204 O ALA A 13 -3.211 -4.091 -11.854 1.00 0.00 O ATOM 205 CB ALA A 13 -3.279 -1.679 -9.749 1.00 0.00 C ATOM 0 H ALA A 13 -5.608 -2.059 -8.956 1.00 0.00 H new ATOM 0 HA ALA A 13 -4.444 -1.847 -11.556 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -2.318 -1.713 -10.262 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.566 -0.641 -9.584 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -3.196 -2.189 -8.790 1.00 0.00 H new ATOM 211 N LEU A 14 -4.301 -4.714 -9.986 1.00 0.00 N ATOM 212 CA LEU A 14 -3.936 -6.123 -10.126 1.00 0.00 C ATOM 213 C LEU A 14 -4.873 -6.852 -11.093 1.00 0.00 C ATOM 214 O LEU A 14 -4.522 -7.898 -11.636 1.00 0.00 O ATOM 215 CB LEU A 14 -3.986 -6.821 -8.766 1.00 0.00 C ATOM 216 CG LEU A 14 -2.645 -6.641 -8.052 1.00 0.00 C ATOM 217 CD1 LEU A 14 -2.863 -6.659 -6.538 1.00 0.00 C ATOM 218 CD2 LEU A 14 -1.704 -7.783 -8.444 1.00 0.00 C ATOM 0 H LEU A 14 -4.873 -4.501 -9.168 1.00 0.00 H new ATOM 0 HA LEU A 14 -2.923 -6.158 -10.526 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.791 -6.405 -8.161 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.201 -7.881 -8.897 1.00 0.00 H new ATOM 0 HG LEU A 14 -2.205 -5.687 -8.343 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.907 -6.531 -6.031 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.534 -5.847 -6.257 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.304 -7.612 -6.245 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.748 -7.657 -7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.147 -8.735 -8.153 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.547 -7.771 -9.523 1.00 0.00 H new ATOM 230 N VAL A 15 -6.068 -6.301 -11.302 1.00 0.00 N ATOM 231 CA VAL A 15 -7.030 -6.932 -12.206 1.00 0.00 C ATOM 232 C VAL A 15 -6.694 -6.610 -13.658 1.00 0.00 C ATOM 233 O VAL A 15 -6.777 -7.470 -14.535 1.00 0.00 O ATOM 234 CB VAL A 15 -8.455 -6.453 -11.907 1.00 0.00 C ATOM 235 CG1 VAL A 15 -9.452 -7.290 -12.715 1.00 0.00 C ATOM 236 CG2 VAL A 15 -8.752 -6.605 -10.407 1.00 0.00 C ATOM 0 H VAL A 15 -6.390 -5.436 -10.868 1.00 0.00 H new ATOM 0 HA VAL A 15 -6.972 -8.009 -12.049 1.00 0.00 H new ATOM 0 HB VAL A 15 -8.549 -5.403 -12.185 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -10.466 -6.951 -12.504 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -9.245 -7.175 -13.779 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -9.355 -8.340 -12.437 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -9.766 -6.263 -10.200 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -8.657 -7.653 -10.122 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -8.044 -6.007 -9.833 1.00 0.00 H new ATOM 246 N GLU A 16 -6.316 -5.359 -13.904 1.00 0.00 N ATOM 247 CA GLU A 16 -5.972 -4.930 -15.258 1.00 0.00 C ATOM 248 C GLU A 16 -4.695 -5.617 -15.735 1.00 0.00 C ATOM 249 O GLU A 16 -4.514 -5.858 -16.928 1.00 0.00 O ATOM 250 CB GLU A 16 -5.768 -3.415 -15.301 1.00 0.00 C ATOM 251 CG GLU A 16 -7.130 -2.718 -15.329 1.00 0.00 C ATOM 252 CD GLU A 16 -6.938 -1.219 -15.125 1.00 0.00 C ATOM 253 OE1 GLU A 16 -6.092 -0.853 -14.326 1.00 0.00 O ATOM 254 OE2 GLU A 16 -7.641 -0.459 -15.771 1.00 0.00 O ATOM 0 H GLU A 16 -6.240 -4.631 -13.193 1.00 0.00 H new ATOM 0 HA GLU A 16 -6.796 -5.207 -15.915 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -5.198 -3.089 -14.431 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -5.189 -3.140 -16.182 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.627 -2.906 -16.281 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.774 -3.123 -14.548 1.00 0.00 H new ATOM 261 N CYS A 17 -3.810 -5.929 -14.791 1.00 0.00 N ATOM 262 CA CYS A 17 -2.549 -6.586 -15.129 1.00 0.00 C ATOM 263 C CYS A 17 -2.805 -7.941 -15.783 1.00 0.00 C ATOM 264 O CYS A 17 -2.265 -8.245 -16.846 1.00 0.00 O ATOM 265 CB CYS A 17 -1.699 -6.792 -13.875 1.00 0.00 C ATOM 266 SG CYS A 17 -0.940 -5.221 -13.394 1.00 0.00 S ATOM 0 H CYS A 17 -3.940 -5.740 -13.797 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.016 -5.942 -15.829 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.317 -7.173 -13.062 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -0.927 -7.538 -14.065 1.00 0.00 H new ATOM 0 HG CYS A 17 -1.783 -4.530 -12.686 1.00 0.00 H new ATOM 272 N ALA A 18 -3.634 -8.753 -15.133 1.00 0.00 N ATOM 273 CA ALA A 18 -3.955 -10.077 -15.659 1.00 0.00 C ATOM 274 C ALA A 18 -4.671 -9.961 -17.001 1.00 0.00 C ATOM 275 O ALA A 18 -4.107 -10.269 -18.050 1.00 0.00 O ATOM 276 CB ALA A 18 -4.848 -10.841 -14.680 1.00 0.00 C ATOM 0 H ALA A 18 -4.091 -8.522 -14.251 1.00 0.00 H new ATOM 0 HA ALA A 18 -3.019 -10.619 -15.794 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -5.077 -11.825 -15.089 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -4.330 -10.955 -13.728 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -5.774 -10.288 -14.525 1.00 0.00 H new ATOM 282 N GLY A 19 -5.922 -9.510 -16.955 1.00 0.00 N ATOM 283 CA GLY A 19 -6.710 -9.354 -18.175 1.00 0.00 C ATOM 284 C GLY A 19 -7.700 -10.505 -18.334 1.00 0.00 C ATOM 285 O GLY A 19 -8.035 -10.902 -19.449 1.00 0.00 O ATOM 0 H GLY A 19 -6.408 -9.249 -16.097 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -7.249 -8.407 -18.146 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -6.047 -9.317 -19.039 1.00 0.00 H new ATOM 289 N GLU A 20 -8.165 -11.033 -17.205 1.00 0.00 N ATOM 290 CA GLU A 20 -9.124 -12.142 -17.232 1.00 0.00 C ATOM 291 C GLU A 20 -9.782 -12.318 -15.864 1.00 0.00 C ATOM 292 O GLU A 20 -10.930 -11.924 -15.661 1.00 0.00 O ATOM 293 CB GLU A 20 -8.465 -13.473 -17.658 1.00 0.00 C ATOM 294 CG GLU A 20 -6.968 -13.498 -17.303 1.00 0.00 C ATOM 295 CD GLU A 20 -6.573 -14.895 -16.835 1.00 0.00 C ATOM 296 OE1 GLU A 20 -7.313 -15.467 -16.051 1.00 0.00 O ATOM 297 OE2 GLU A 20 -5.538 -15.372 -17.268 1.00 0.00 O ATOM 0 H GLU A 20 -7.900 -10.719 -16.271 1.00 0.00 H new ATOM 0 HA GLU A 20 -9.880 -11.886 -17.974 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -8.971 -14.304 -17.167 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.588 -13.614 -18.732 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -6.374 -13.214 -18.171 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -6.758 -12.769 -16.520 1.00 0.00 H new ATOM 304 N THR A 21 -9.048 -12.915 -14.925 1.00 0.00 N ATOM 305 CA THR A 21 -9.580 -13.136 -13.580 1.00 0.00 C ATOM 306 C THR A 21 -8.548 -13.831 -12.704 1.00 0.00 C ATOM 307 O THR A 21 -8.126 -14.954 -12.984 1.00 0.00 O ATOM 308 CB THR A 21 -10.844 -14.002 -13.628 1.00 0.00 C ATOM 309 OG1 THR A 21 -11.205 -14.381 -12.306 1.00 0.00 O ATOM 310 CG2 THR A 21 -10.581 -15.255 -14.465 1.00 0.00 C ATOM 0 H THR A 21 -8.095 -13.251 -15.067 1.00 0.00 H new ATOM 0 HA THR A 21 -9.824 -12.160 -13.160 1.00 0.00 H new ATOM 0 HB THR A 21 -11.656 -13.433 -14.081 1.00 0.00 H new ATOM 0 HG1 THR A 21 -12.014 -14.934 -12.333 1.00 0.00 H new ATOM 0 HG21 THR A 21 -11.482 -15.867 -14.496 1.00 0.00 H new ATOM 0 HG22 THR A 21 -10.305 -14.964 -15.478 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.769 -15.828 -14.018 1.00 0.00 H new ATOM 318 N ASP A 22 -8.152 -13.155 -11.631 1.00 0.00 N ATOM 319 CA ASP A 22 -7.174 -13.720 -10.706 1.00 0.00 C ATOM 320 C ASP A 22 -7.852 -14.149 -9.406 1.00 0.00 C ATOM 321 O ASP A 22 -7.220 -14.193 -8.351 1.00 0.00 O ATOM 322 CB ASP A 22 -6.087 -12.694 -10.380 1.00 0.00 C ATOM 323 CG ASP A 22 -6.735 -11.401 -9.895 1.00 0.00 C ATOM 324 OD1 ASP A 22 -7.304 -11.416 -8.817 1.00 0.00 O ATOM 325 OD2 ASP A 22 -6.655 -10.417 -10.611 1.00 0.00 O ATOM 0 H ASP A 22 -8.488 -12.225 -11.381 1.00 0.00 H new ATOM 0 HA ASP A 22 -6.723 -14.588 -11.187 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -5.419 -13.088 -9.614 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -5.479 -12.499 -11.264 1.00 0.00 H new ATOM 330 N GLY A 23 -9.145 -14.464 -9.488 1.00 0.00 N ATOM 331 CA GLY A 23 -9.888 -14.884 -8.304 1.00 0.00 C ATOM 332 C GLY A 23 -9.954 -13.753 -7.286 1.00 0.00 C ATOM 333 O GLY A 23 -8.931 -13.282 -6.791 1.00 0.00 O ATOM 0 H GLY A 23 -9.691 -14.437 -10.349 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -10.896 -15.185 -8.588 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -9.409 -15.756 -7.857 1.00 0.00 H new ATOM 337 N THR A 24 -11.173 -13.323 -6.976 1.00 0.00 N ATOM 338 CA THR A 24 -11.365 -12.247 -6.014 1.00 0.00 C ATOM 339 C THR A 24 -12.596 -12.521 -5.158 1.00 0.00 C ATOM 340 O THR A 24 -13.708 -12.677 -5.663 1.00 0.00 O ATOM 341 CB THR A 24 -11.541 -10.900 -6.724 1.00 0.00 C ATOM 342 OG1 THR A 24 -10.981 -10.973 -8.029 1.00 0.00 O ATOM 343 CG2 THR A 24 -10.837 -9.800 -5.926 1.00 0.00 C ATOM 0 H THR A 24 -12.034 -13.699 -7.373 1.00 0.00 H new ATOM 0 HA THR A 24 -10.477 -12.202 -5.383 1.00 0.00 H new ATOM 0 HB THR A 24 -12.604 -10.668 -6.797 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.095 -10.112 -8.483 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.964 -8.844 -6.434 1.00 0.00 H new ATOM 0 HG22 THR A 24 -11.270 -9.741 -4.927 1.00 0.00 H new ATOM 0 HG23 THR A 24 -9.775 -10.031 -5.848 1.00 0.00 H new ATOM 351 N ASP A 25 -12.372 -12.570 -3.857 1.00 0.00 N ATOM 352 CA ASP A 25 -13.451 -12.819 -2.905 1.00 0.00 C ATOM 353 C ASP A 25 -13.153 -12.114 -1.588 1.00 0.00 C ATOM 354 O ASP A 25 -12.373 -12.597 -0.769 1.00 0.00 O ATOM 355 CB ASP A 25 -13.605 -14.316 -2.644 1.00 0.00 C ATOM 356 CG ASP A 25 -15.040 -14.615 -2.221 1.00 0.00 C ATOM 357 OD1 ASP A 25 -15.937 -14.328 -2.996 1.00 0.00 O ATOM 358 OD2 ASP A 25 -15.221 -15.126 -1.127 1.00 0.00 O ATOM 0 H ASP A 25 -11.454 -12.441 -3.431 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.377 -12.434 -3.331 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.355 -14.880 -3.543 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.912 -14.633 -1.865 1.00 0.00 H new ATOM 363 N LEU A 26 -13.780 -10.959 -1.400 1.00 0.00 N ATOM 364 CA LEU A 26 -13.573 -10.180 -0.182 1.00 0.00 C ATOM 365 C LEU A 26 -14.422 -10.742 0.955 1.00 0.00 C ATOM 366 O LEU A 26 -15.515 -10.249 1.235 1.00 0.00 O ATOM 367 CB LEU A 26 -13.948 -8.706 -0.404 1.00 0.00 C ATOM 368 CG LEU A 26 -12.885 -7.989 -1.256 1.00 0.00 C ATOM 369 CD1 LEU A 26 -11.513 -8.079 -0.580 1.00 0.00 C ATOM 370 CD2 LEU A 26 -12.810 -8.631 -2.643 1.00 0.00 C ATOM 0 H LEU A 26 -14.430 -10.543 -2.067 1.00 0.00 H new ATOM 0 HA LEU A 26 -12.517 -10.244 0.080 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.918 -8.644 -0.898 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.048 -8.203 0.558 1.00 0.00 H new ATOM 0 HG LEU A 26 -13.167 -6.941 -1.354 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -10.771 -7.568 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -11.559 -7.607 0.402 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -11.231 -9.126 -0.467 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -12.056 -8.119 -3.241 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -12.541 -9.683 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -13.779 -8.549 -3.135 1.00 0.00 H new ATOM 382 N SER A 27 -13.905 -11.781 1.605 1.00 0.00 N ATOM 383 CA SER A 27 -14.623 -12.407 2.712 1.00 0.00 C ATOM 384 C SER A 27 -13.639 -12.976 3.731 1.00 0.00 C ATOM 385 O SER A 27 -13.898 -14.003 4.360 1.00 0.00 O ATOM 386 CB SER A 27 -15.517 -13.536 2.198 1.00 0.00 C ATOM 387 OG SER A 27 -16.506 -13.833 3.174 1.00 0.00 O ATOM 0 H SER A 27 -13.002 -12.204 1.388 1.00 0.00 H new ATOM 0 HA SER A 27 -15.239 -11.645 3.189 1.00 0.00 H new ATOM 0 HB2 SER A 27 -15.991 -13.242 1.261 1.00 0.00 H new ATOM 0 HB3 SER A 27 -14.919 -14.423 1.988 1.00 0.00 H new ATOM 0 HG SER A 27 -16.071 -14.107 4.008 1.00 0.00 H new ATOM 393 N GLY A 28 -12.507 -12.295 3.887 1.00 0.00 N ATOM 394 CA GLY A 28 -11.488 -12.740 4.833 1.00 0.00 C ATOM 395 C GLY A 28 -10.106 -12.252 4.413 1.00 0.00 C ATOM 396 O GLY A 28 -9.157 -13.031 4.320 1.00 0.00 O ATOM 0 H GLY A 28 -12.274 -11.443 3.377 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -11.723 -12.366 5.829 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -11.491 -13.828 4.892 1.00 0.00 H new ATOM 400 N ASP A 29 -10.004 -10.948 4.163 1.00 0.00 N ATOM 401 CA ASP A 29 -8.735 -10.351 3.752 1.00 0.00 C ATOM 402 C ASP A 29 -8.265 -10.947 2.429 1.00 0.00 C ATOM 403 O ASP A 29 -8.587 -12.088 2.097 1.00 0.00 O ATOM 404 CB ASP A 29 -7.660 -10.584 4.817 1.00 0.00 C ATOM 405 CG ASP A 29 -7.655 -9.418 5.800 1.00 0.00 C ATOM 406 OD1 ASP A 29 -8.728 -9.039 6.243 1.00 0.00 O ATOM 407 OD2 ASP A 29 -6.582 -8.921 6.094 1.00 0.00 O ATOM 0 H ASP A 29 -10.779 -10.289 4.237 1.00 0.00 H new ATOM 0 HA ASP A 29 -8.895 -9.280 3.629 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -7.853 -11.518 5.345 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -6.682 -10.680 4.346 1.00 0.00 H new ATOM 412 N PHE A 30 -7.498 -10.162 1.679 1.00 0.00 N ATOM 413 CA PHE A 30 -6.986 -10.623 0.392 1.00 0.00 C ATOM 414 C PHE A 30 -5.499 -10.278 0.238 1.00 0.00 C ATOM 415 O PHE A 30 -4.990 -10.174 -0.877 1.00 0.00 O ATOM 416 CB PHE A 30 -7.799 -9.995 -0.762 1.00 0.00 C ATOM 417 CG PHE A 30 -7.396 -8.549 -0.996 1.00 0.00 C ATOM 418 CD1 PHE A 30 -7.678 -7.573 -0.034 1.00 0.00 C ATOM 419 CD2 PHE A 30 -6.733 -8.195 -2.178 1.00 0.00 C ATOM 420 CE1 PHE A 30 -7.298 -6.245 -0.254 1.00 0.00 C ATOM 421 CE2 PHE A 30 -6.355 -6.867 -2.398 1.00 0.00 C ATOM 422 CZ PHE A 30 -6.637 -5.892 -1.437 1.00 0.00 C ATOM 0 H PHE A 30 -7.220 -9.215 1.935 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.092 -11.707 0.353 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.644 -10.571 -1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.863 -10.046 -0.530 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -8.189 -7.845 0.878 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -6.514 -8.948 -2.920 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -7.514 -5.492 0.489 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -5.845 -6.595 -3.310 1.00 0.00 H new ATOM 0 HZ PHE A 30 -6.345 -4.866 -1.607 1.00 0.00 H new ATOM 432 N LEU A 31 -4.815 -10.083 1.362 1.00 0.00 N ATOM 433 CA LEU A 31 -3.407 -9.732 1.322 1.00 0.00 C ATOM 434 C LEU A 31 -2.575 -10.854 1.970 1.00 0.00 C ATOM 435 O LEU A 31 -2.466 -11.932 1.386 1.00 0.00 O ATOM 436 CB LEU A 31 -3.211 -8.372 2.008 1.00 0.00 C ATOM 437 CG LEU A 31 -4.094 -7.336 1.304 1.00 0.00 C ATOM 438 CD1 LEU A 31 -4.292 -6.121 2.209 1.00 0.00 C ATOM 439 CD2 LEU A 31 -3.430 -6.900 -0.004 1.00 0.00 C ATOM 0 H LEU A 31 -5.211 -10.162 2.299 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.060 -9.634 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -3.475 -8.439 3.063 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.164 -8.072 1.960 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.065 -7.782 1.087 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.921 -5.389 1.702 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.773 -6.432 3.136 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.324 -5.674 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.059 -6.163 -0.503 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.456 -6.460 0.211 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -3.301 -7.766 -0.653 1.00 0.00 H new ATOM 451 N ASP A 32 -2.006 -10.617 3.172 1.00 0.00 N ATOM 452 CA ASP A 32 -1.198 -11.635 3.879 1.00 0.00 C ATOM 453 C ASP A 32 -0.359 -12.483 2.909 1.00 0.00 C ATOM 454 O ASP A 32 -0.449 -13.713 2.890 1.00 0.00 O ATOM 455 CB ASP A 32 -2.112 -12.557 4.691 1.00 0.00 C ATOM 456 CG ASP A 32 -2.387 -11.929 6.054 1.00 0.00 C ATOM 457 OD1 ASP A 32 -1.444 -11.769 6.812 1.00 0.00 O ATOM 458 OD2 ASP A 32 -3.536 -11.618 6.319 1.00 0.00 O ATOM 0 H ASP A 32 -2.091 -9.732 3.672 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.515 -11.102 4.541 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -3.049 -12.719 4.158 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -1.643 -13.533 4.816 1.00 0.00 H new ATOM 463 N LEU A 33 0.436 -11.805 2.082 1.00 0.00 N ATOM 464 CA LEU A 33 1.263 -12.494 1.088 1.00 0.00 C ATOM 465 C LEU A 33 0.365 -13.095 0.011 1.00 0.00 C ATOM 466 O LEU A 33 -0.100 -14.229 0.129 1.00 0.00 O ATOM 467 CB LEU A 33 2.097 -13.610 1.729 1.00 0.00 C ATOM 468 CG LEU A 33 3.418 -13.759 0.973 1.00 0.00 C ATOM 469 CD1 LEU A 33 4.489 -12.894 1.639 1.00 0.00 C ATOM 470 CD2 LEU A 33 3.856 -15.224 1.001 1.00 0.00 C ATOM 0 H LEU A 33 0.526 -10.789 2.079 1.00 0.00 H new ATOM 0 HA LEU A 33 1.945 -11.765 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.290 -13.378 2.777 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.545 -14.550 1.706 1.00 0.00 H new ATOM 0 HG LEU A 33 3.284 -13.438 -0.060 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.430 -13.001 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.177 -11.850 1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 33 4.625 -13.214 2.672 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.798 -15.333 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 33 3.990 -15.544 2.034 1.00 0.00 H new ATOM 0 HD23 LEU A 33 3.093 -15.841 0.526 1.00 0.00 H new ATOM 482 N ARG A 34 0.112 -12.309 -1.031 1.00 0.00 N ATOM 483 CA ARG A 34 -0.750 -12.752 -2.123 1.00 0.00 C ATOM 484 C ARG A 34 -0.038 -12.627 -3.474 1.00 0.00 C ATOM 485 O ARG A 34 -0.683 -12.595 -4.522 1.00 0.00 O ATOM 486 CB ARG A 34 -2.023 -11.903 -2.154 1.00 0.00 C ATOM 487 CG ARG A 34 -3.145 -12.679 -2.845 1.00 0.00 C ATOM 488 CD ARG A 34 -3.581 -13.850 -1.963 1.00 0.00 C ATOM 489 NE ARG A 34 -5.024 -14.058 -2.062 1.00 0.00 N ATOM 490 CZ ARG A 34 -5.579 -15.204 -1.682 1.00 0.00 C ATOM 491 NH1 ARG A 34 -5.182 -15.790 -0.587 1.00 0.00 N ATOM 492 NH2 ARG A 34 -6.519 -15.744 -2.407 1.00 0.00 N ATOM 0 H ARG A 34 0.489 -11.368 -1.143 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.999 -13.799 -1.951 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.321 -11.641 -1.139 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.835 -10.968 -2.683 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.992 -12.020 -3.036 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.803 -13.047 -3.812 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.056 -14.756 -2.266 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.307 -13.654 -0.927 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.615 -13.312 -2.429 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -4.445 -15.369 -0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -5.608 -16.670 -0.296 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -6.828 -15.287 -3.265 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -6.946 -16.624 -2.116 1.00 0.00 H new ATOM 506 N PHE A 35 1.293 -12.559 -3.443 1.00 0.00 N ATOM 507 CA PHE A 35 2.067 -12.439 -4.676 1.00 0.00 C ATOM 508 C PHE A 35 2.654 -13.791 -5.082 1.00 0.00 C ATOM 509 O PHE A 35 2.902 -14.044 -6.261 1.00 0.00 O ATOM 510 CB PHE A 35 3.203 -11.425 -4.496 1.00 0.00 C ATOM 511 CG PHE A 35 2.740 -10.036 -4.905 1.00 0.00 C ATOM 512 CD1 PHE A 35 1.474 -9.563 -4.519 1.00 0.00 C ATOM 513 CD2 PHE A 35 3.584 -9.217 -5.666 1.00 0.00 C ATOM 514 CE1 PHE A 35 1.060 -8.280 -4.894 1.00 0.00 C ATOM 515 CE2 PHE A 35 3.168 -7.934 -6.039 1.00 0.00 C ATOM 516 CZ PHE A 35 1.907 -7.466 -5.654 1.00 0.00 C ATOM 0 H PHE A 35 1.851 -12.585 -2.589 1.00 0.00 H new ATOM 0 HA PHE A 35 1.395 -12.094 -5.462 1.00 0.00 H new ATOM 0 HB2 PHE A 35 3.530 -11.415 -3.456 1.00 0.00 H new ATOM 0 HB3 PHE A 35 4.063 -11.721 -5.097 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.820 -10.191 -3.932 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.557 -9.576 -5.965 1.00 0.00 H new ATOM 0 HE1 PHE A 35 0.087 -7.918 -4.597 1.00 0.00 H new ATOM 0 HE2 PHE A 35 3.821 -7.304 -6.625 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.587 -6.476 -5.944 1.00 0.00 H new ATOM 526 N GLU A 36 2.879 -14.657 -4.094 1.00 0.00 N ATOM 527 CA GLU A 36 3.440 -15.977 -4.368 1.00 0.00 C ATOM 528 C GLU A 36 2.337 -17.034 -4.398 1.00 0.00 C ATOM 529 O GLU A 36 2.420 -18.017 -5.132 1.00 0.00 O ATOM 530 CB GLU A 36 4.468 -16.352 -3.292 1.00 0.00 C ATOM 531 CG GLU A 36 5.676 -17.026 -3.945 1.00 0.00 C ATOM 532 CD GLU A 36 6.674 -17.439 -2.869 1.00 0.00 C ATOM 533 OE1 GLU A 36 6.546 -18.542 -2.363 1.00 0.00 O ATOM 534 OE2 GLU A 36 7.551 -16.648 -2.567 1.00 0.00 O ATOM 0 H GLU A 36 2.684 -14.471 -3.110 1.00 0.00 H new ATOM 0 HA GLU A 36 3.929 -15.941 -5.342 1.00 0.00 H new ATOM 0 HB2 GLU A 36 4.785 -15.460 -2.752 1.00 0.00 H new ATOM 0 HB3 GLU A 36 4.016 -17.023 -2.562 1.00 0.00 H new ATOM 0 HG2 GLU A 36 5.355 -17.900 -4.512 1.00 0.00 H new ATOM 0 HG3 GLU A 36 6.149 -16.343 -4.651 1.00 0.00 H new ATOM 541 N ASP A 37 1.305 -16.818 -3.587 1.00 0.00 N ATOM 542 CA ASP A 37 0.189 -17.760 -3.523 1.00 0.00 C ATOM 543 C ASP A 37 -0.643 -17.698 -4.800 1.00 0.00 C ATOM 544 O ASP A 37 -0.876 -18.713 -5.456 1.00 0.00 O ATOM 545 CB ASP A 37 -0.708 -17.441 -2.324 1.00 0.00 C ATOM 546 CG ASP A 37 -1.430 -18.708 -1.878 1.00 0.00 C ATOM 547 OD1 ASP A 37 -0.759 -19.621 -1.426 1.00 0.00 O ATOM 548 OD2 ASP A 37 -2.644 -18.748 -1.996 1.00 0.00 O ATOM 0 H ASP A 37 1.217 -16.009 -2.971 1.00 0.00 H new ATOM 0 HA ASP A 37 0.602 -18.763 -3.413 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -0.110 -17.043 -1.504 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -1.432 -16.672 -2.593 1.00 0.00 H new ATOM 553 N ILE A 38 -1.091 -16.493 -5.147 1.00 0.00 N ATOM 554 CA ILE A 38 -1.900 -16.308 -6.350 1.00 0.00 C ATOM 555 C ILE A 38 -1.101 -16.718 -7.591 1.00 0.00 C ATOM 556 O ILE A 38 -1.642 -17.293 -8.536 1.00 0.00 O ATOM 557 CB ILE A 38 -2.371 -14.837 -6.448 1.00 0.00 C ATOM 558 CG1 ILE A 38 -3.558 -14.715 -7.429 1.00 0.00 C ATOM 559 CG2 ILE A 38 -1.222 -13.908 -6.878 1.00 0.00 C ATOM 560 CD1 ILE A 38 -3.130 -15.003 -8.876 1.00 0.00 C ATOM 0 H ILE A 38 -0.910 -15.639 -4.619 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.783 -16.945 -6.292 1.00 0.00 H new ATOM 0 HB ILE A 38 -2.700 -14.525 -5.457 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -4.345 -15.410 -7.137 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -3.980 -13.712 -7.367 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -1.586 -12.882 -6.937 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.415 -13.965 -6.147 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -0.850 -14.218 -7.854 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -3.992 -14.907 -9.536 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -2.362 -14.291 -9.177 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -2.732 -16.016 -8.943 1.00 0.00 H new ATOM 572 N GLY A 39 0.191 -16.411 -7.571 1.00 0.00 N ATOM 573 CA GLY A 39 1.063 -16.745 -8.695 1.00 0.00 C ATOM 574 C GLY A 39 1.498 -15.488 -9.443 1.00 0.00 C ATOM 575 O GLY A 39 1.788 -15.531 -10.639 1.00 0.00 O ATOM 0 H GLY A 39 0.656 -15.936 -6.798 1.00 0.00 H new ATOM 0 HA2 GLY A 39 1.941 -17.279 -8.332 1.00 0.00 H new ATOM 0 HA3 GLY A 39 0.542 -17.416 -9.377 1.00 0.00 H new ATOM 579 N TYR A 40 1.544 -14.366 -8.728 1.00 0.00 N ATOM 580 CA TYR A 40 1.948 -13.102 -9.337 1.00 0.00 C ATOM 581 C TYR A 40 3.470 -12.983 -9.342 1.00 0.00 C ATOM 582 O TYR A 40 4.075 -12.542 -8.364 1.00 0.00 O ATOM 583 CB TYR A 40 1.349 -11.914 -8.560 1.00 0.00 C ATOM 584 CG TYR A 40 0.354 -11.180 -9.430 1.00 0.00 C ATOM 585 CD1 TYR A 40 -0.920 -11.718 -9.641 1.00 0.00 C ATOM 586 CD2 TYR A 40 0.709 -9.963 -10.028 1.00 0.00 C ATOM 587 CE1 TYR A 40 -1.842 -11.041 -10.448 1.00 0.00 C ATOM 588 CE2 TYR A 40 -0.212 -9.286 -10.836 1.00 0.00 C ATOM 589 CZ TYR A 40 -1.487 -9.826 -11.047 1.00 0.00 C ATOM 590 OH TYR A 40 -2.394 -9.158 -11.845 1.00 0.00 O ATOM 0 H TYR A 40 1.309 -14.306 -7.737 1.00 0.00 H new ATOM 0 HA TYR A 40 1.578 -13.083 -10.362 1.00 0.00 H new ATOM 0 HB2 TYR A 40 0.859 -12.271 -7.654 1.00 0.00 H new ATOM 0 HB3 TYR A 40 2.143 -11.235 -8.248 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -1.192 -12.656 -9.181 1.00 0.00 H new ATOM 0 HD2 TYR A 40 1.693 -9.548 -9.865 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.826 -11.455 -10.609 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.060 -8.348 -11.296 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.118 -8.802 -11.289 1.00 0.00 H new ATOM 600 N ASP A 41 4.085 -13.374 -10.456 1.00 0.00 N ATOM 601 CA ASP A 41 5.535 -13.296 -10.571 1.00 0.00 C ATOM 602 C ASP A 41 5.983 -11.844 -10.531 1.00 0.00 C ATOM 603 O ASP A 41 5.300 -10.948 -11.029 1.00 0.00 O ATOM 604 CB ASP A 41 6.029 -13.941 -11.869 1.00 0.00 C ATOM 605 CG ASP A 41 5.231 -13.409 -13.056 1.00 0.00 C ATOM 606 OD1 ASP A 41 4.174 -13.954 -13.327 1.00 0.00 O ATOM 607 OD2 ASP A 41 5.694 -12.470 -13.680 1.00 0.00 O ATOM 0 H ASP A 41 3.609 -13.742 -11.279 1.00 0.00 H new ATOM 0 HA ASP A 41 5.964 -13.841 -9.730 1.00 0.00 H new ATOM 0 HB2 ASP A 41 7.089 -13.729 -12.009 1.00 0.00 H new ATOM 0 HB3 ASP A 41 5.926 -15.024 -11.808 1.00 0.00 H new ATOM 612 N SER A 42 7.136 -11.627 -9.921 1.00 0.00 N ATOM 613 CA SER A 42 7.686 -10.280 -9.796 1.00 0.00 C ATOM 614 C SER A 42 8.049 -9.711 -11.163 1.00 0.00 C ATOM 615 O SER A 42 7.949 -8.507 -11.391 1.00 0.00 O ATOM 616 CB SER A 42 8.936 -10.298 -8.914 1.00 0.00 C ATOM 617 OG SER A 42 8.562 -10.057 -7.564 1.00 0.00 O ATOM 0 H SER A 42 7.710 -12.360 -9.505 1.00 0.00 H new ATOM 0 HA SER A 42 6.923 -9.649 -9.340 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.440 -11.261 -8.997 1.00 0.00 H new ATOM 0 HB3 SER A 42 9.642 -9.538 -9.249 1.00 0.00 H new ATOM 0 HG SER A 42 8.988 -9.233 -7.249 1.00 0.00 H new ATOM 623 N LEU A 43 8.482 -10.585 -12.066 1.00 0.00 N ATOM 624 CA LEU A 43 8.871 -10.151 -13.407 1.00 0.00 C ATOM 625 C LEU A 43 7.692 -9.536 -14.165 1.00 0.00 C ATOM 626 O LEU A 43 7.886 -8.799 -15.132 1.00 0.00 O ATOM 627 CB LEU A 43 9.415 -11.331 -14.214 1.00 0.00 C ATOM 628 CG LEU A 43 10.418 -10.820 -15.250 1.00 0.00 C ATOM 629 CD1 LEU A 43 11.832 -10.901 -14.674 1.00 0.00 C ATOM 630 CD2 LEU A 43 10.333 -11.680 -16.512 1.00 0.00 C ATOM 0 H LEU A 43 8.573 -11.587 -11.899 1.00 0.00 H new ATOM 0 HA LEU A 43 9.645 -9.393 -13.287 1.00 0.00 H new ATOM 0 HB2 LEU A 43 9.896 -12.049 -13.550 1.00 0.00 H new ATOM 0 HB3 LEU A 43 8.597 -11.854 -14.710 1.00 0.00 H new ATOM 0 HG LEU A 43 10.185 -9.785 -15.500 1.00 0.00 H new ATOM 0 HD11 LEU A 43 12.547 -10.537 -15.412 1.00 0.00 H new ATOM 0 HD12 LEU A 43 11.894 -10.288 -13.775 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.064 -11.936 -14.424 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.048 -11.315 -17.250 1.00 0.00 H new ATOM 0 HD22 LEU A 43 10.565 -12.716 -16.263 1.00 0.00 H new ATOM 0 HD23 LEU A 43 9.325 -11.623 -16.924 1.00 0.00 H new ATOM 642 N ALA A 44 6.471 -9.851 -13.736 1.00 0.00 N ATOM 643 CA ALA A 44 5.283 -9.322 -14.407 1.00 0.00 C ATOM 644 C ALA A 44 4.848 -7.990 -13.798 1.00 0.00 C ATOM 645 O ALA A 44 4.711 -6.987 -14.499 1.00 0.00 O ATOM 646 CB ALA A 44 4.125 -10.314 -14.300 1.00 0.00 C ATOM 0 H ALA A 44 6.279 -10.460 -12.940 1.00 0.00 H new ATOM 0 HA ALA A 44 5.543 -9.165 -15.454 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.249 -9.906 -14.804 1.00 0.00 H new ATOM 0 HB2 ALA A 44 4.408 -11.256 -14.770 1.00 0.00 H new ATOM 0 HB3 ALA A 44 3.891 -10.488 -13.250 1.00 0.00 H new ATOM 652 N LEU A 45 4.616 -7.995 -12.489 1.00 0.00 N ATOM 653 CA LEU A 45 4.176 -6.783 -11.798 1.00 0.00 C ATOM 654 C LEU A 45 5.264 -5.701 -11.783 1.00 0.00 C ATOM 655 O LEU A 45 4.994 -4.553 -11.434 1.00 0.00 O ATOM 656 CB LEU A 45 3.767 -7.107 -10.358 1.00 0.00 C ATOM 657 CG LEU A 45 4.954 -7.710 -9.601 1.00 0.00 C ATOM 658 CD1 LEU A 45 5.663 -6.609 -8.810 1.00 0.00 C ATOM 659 CD2 LEU A 45 4.454 -8.789 -8.634 1.00 0.00 C ATOM 0 H LEU A 45 4.723 -8.813 -11.889 1.00 0.00 H new ATOM 0 HA LEU A 45 3.319 -6.396 -12.349 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.426 -6.202 -9.855 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.931 -7.806 -10.357 1.00 0.00 H new ATOM 0 HG LEU A 45 5.649 -8.156 -10.313 1.00 0.00 H new ATOM 0 HD11 LEU A 45 6.508 -7.036 -8.270 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.021 -5.841 -9.496 1.00 0.00 H new ATOM 0 HD13 LEU A 45 4.966 -6.165 -8.100 1.00 0.00 H new ATOM 0 HD21 LEU A 45 5.300 -9.217 -8.097 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.759 -8.345 -7.922 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.947 -9.574 -9.195 1.00 0.00 H new ATOM 671 N MET A 46 6.491 -6.065 -12.159 1.00 0.00 N ATOM 672 CA MET A 46 7.587 -5.094 -12.172 1.00 0.00 C ATOM 673 C MET A 46 7.353 -4.031 -13.243 1.00 0.00 C ATOM 674 O MET A 46 7.783 -2.886 -13.102 1.00 0.00 O ATOM 675 CB MET A 46 8.922 -5.791 -12.448 1.00 0.00 C ATOM 676 CG MET A 46 10.072 -4.795 -12.259 1.00 0.00 C ATOM 677 SD MET A 46 10.477 -4.023 -13.847 1.00 0.00 S ATOM 678 CE MET A 46 12.276 -4.010 -13.638 1.00 0.00 C ATOM 0 H MET A 46 6.749 -7.007 -12.454 1.00 0.00 H new ATOM 0 HA MET A 46 7.620 -4.620 -11.191 1.00 0.00 H new ATOM 0 HB2 MET A 46 9.047 -6.638 -11.774 1.00 0.00 H new ATOM 0 HB3 MET A 46 8.934 -6.187 -13.464 1.00 0.00 H new ATOM 0 HG2 MET A 46 9.790 -4.032 -11.534 1.00 0.00 H new ATOM 0 HG3 MET A 46 10.947 -5.307 -11.859 1.00 0.00 H new ATOM 0 HE1 MET A 46 12.741 -3.567 -14.519 1.00 0.00 H new ATOM 0 HE2 MET A 46 12.536 -3.424 -12.757 1.00 0.00 H new ATOM 0 HE3 MET A 46 12.635 -5.032 -13.513 1.00 0.00 H new ATOM 688 N GLU A 47 6.673 -4.421 -14.318 1.00 0.00 N ATOM 689 CA GLU A 47 6.395 -3.488 -15.408 1.00 0.00 C ATOM 690 C GLU A 47 5.237 -2.565 -15.038 1.00 0.00 C ATOM 691 O GLU A 47 5.242 -1.378 -15.362 1.00 0.00 O ATOM 692 CB GLU A 47 6.039 -4.250 -16.687 1.00 0.00 C ATOM 693 CG GLU A 47 6.083 -3.293 -17.881 1.00 0.00 C ATOM 694 CD GLU A 47 5.744 -4.055 -19.158 1.00 0.00 C ATOM 695 OE1 GLU A 47 6.562 -4.854 -19.583 1.00 0.00 O ATOM 696 OE2 GLU A 47 4.671 -3.827 -19.693 1.00 0.00 O ATOM 0 H GLU A 47 6.308 -5.363 -14.458 1.00 0.00 H new ATOM 0 HA GLU A 47 7.292 -2.893 -15.579 1.00 0.00 H new ATOM 0 HB2 GLU A 47 6.739 -5.072 -16.840 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.046 -4.690 -16.596 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.375 -2.477 -17.733 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.073 -2.845 -17.965 1.00 0.00 H new ATOM 703 N THR A 48 4.243 -3.128 -14.357 1.00 0.00 N ATOM 704 CA THR A 48 3.073 -2.352 -13.944 1.00 0.00 C ATOM 705 C THR A 48 3.485 -1.194 -13.038 1.00 0.00 C ATOM 706 O THR A 48 3.043 -0.058 -13.216 1.00 0.00 O ATOM 707 CB THR A 48 2.083 -3.245 -13.191 1.00 0.00 C ATOM 708 OG1 THR A 48 1.841 -4.423 -13.948 1.00 0.00 O ATOM 709 CG2 THR A 48 0.769 -2.491 -12.981 1.00 0.00 C ATOM 0 H THR A 48 4.221 -4.110 -14.080 1.00 0.00 H new ATOM 0 HA THR A 48 2.600 -1.955 -14.842 1.00 0.00 H new ATOM 0 HB THR A 48 2.501 -3.515 -12.221 1.00 0.00 H new ATOM 0 HG1 THR A 48 0.923 -4.728 -13.794 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.066 -3.128 -12.445 1.00 0.00 H new ATOM 0 HG22 THR A 48 0.956 -1.588 -12.400 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.347 -2.219 -13.948 1.00 0.00 H new ATOM 717 N ALA A 49 4.334 -1.498 -12.060 1.00 0.00 N ATOM 718 CA ALA A 49 4.802 -0.480 -11.121 1.00 0.00 C ATOM 719 C ALA A 49 5.908 0.372 -11.742 1.00 0.00 C ATOM 720 O ALA A 49 6.117 1.518 -11.348 1.00 0.00 O ATOM 721 CB ALA A 49 5.336 -1.138 -9.847 1.00 0.00 C ATOM 0 H ALA A 49 4.710 -2.432 -11.897 1.00 0.00 H new ATOM 0 HA ALA A 49 3.954 0.161 -10.878 1.00 0.00 H new ATOM 0 HB1 ALA A 49 5.681 -0.368 -9.157 1.00 0.00 H new ATOM 0 HB2 ALA A 49 4.542 -1.718 -9.376 1.00 0.00 H new ATOM 0 HB3 ALA A 49 6.166 -1.798 -10.099 1.00 0.00 H new ATOM 727 N ALA A 50 6.619 -0.198 -12.714 1.00 0.00 N ATOM 728 CA ALA A 50 7.704 0.524 -13.373 1.00 0.00 C ATOM 729 C ALA A 50 7.159 1.718 -14.154 1.00 0.00 C ATOM 730 O ALA A 50 7.825 2.745 -14.286 1.00 0.00 O ATOM 731 CB ALA A 50 8.453 -0.400 -14.336 1.00 0.00 C ATOM 0 H ALA A 50 6.466 -1.146 -13.059 1.00 0.00 H new ATOM 0 HA ALA A 50 8.387 0.878 -12.601 1.00 0.00 H new ATOM 0 HB1 ALA A 50 9.258 0.153 -14.819 1.00 0.00 H new ATOM 0 HB2 ALA A 50 8.871 -1.240 -13.782 1.00 0.00 H new ATOM 0 HB3 ALA A 50 7.763 -0.772 -15.094 1.00 0.00 H new ATOM 737 N ARG A 51 5.942 1.571 -14.671 1.00 0.00 N ATOM 738 CA ARG A 51 5.317 2.644 -15.441 1.00 0.00 C ATOM 739 C ARG A 51 4.510 3.562 -14.527 1.00 0.00 C ATOM 740 O ARG A 51 4.438 4.771 -14.742 1.00 0.00 O ATOM 741 CB ARG A 51 4.386 2.067 -16.509 1.00 0.00 C ATOM 742 CG ARG A 51 4.298 3.036 -17.689 1.00 0.00 C ATOM 743 CD ARG A 51 3.827 2.286 -18.936 1.00 0.00 C ATOM 744 NE ARG A 51 2.386 2.055 -18.886 1.00 0.00 N ATOM 745 CZ ARG A 51 1.636 2.155 -19.981 1.00 0.00 C ATOM 746 NH1 ARG A 51 1.498 1.129 -20.774 1.00 0.00 N ATOM 747 NH2 ARG A 51 1.039 3.281 -20.261 1.00 0.00 N ATOM 0 H ARG A 51 5.374 0.730 -14.573 1.00 0.00 H new ATOM 0 HA ARG A 51 6.112 3.215 -15.920 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.758 1.100 -16.846 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.394 1.898 -16.089 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.606 3.846 -17.457 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.271 3.491 -17.872 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.078 2.860 -19.828 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.351 1.333 -19.013 1.00 0.00 H new ATOM 0 HE ARG A 51 1.947 1.813 -17.998 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.965 0.249 -20.555 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.923 1.207 -21.613 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.147 4.084 -19.641 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.464 3.359 -21.100 1.00 0.00 H new ATOM 761 N LEU A 52 3.898 2.969 -13.506 1.00 0.00 N ATOM 762 CA LEU A 52 3.089 3.735 -12.560 1.00 0.00 C ATOM 763 C LEU A 52 3.961 4.461 -11.525 1.00 0.00 C ATOM 764 O LEU A 52 3.458 5.257 -10.733 1.00 0.00 O ATOM 765 CB LEU A 52 2.107 2.800 -11.831 1.00 0.00 C ATOM 766 CG LEU A 52 0.667 3.043 -12.315 1.00 0.00 C ATOM 767 CD1 LEU A 52 0.267 4.493 -12.037 1.00 0.00 C ATOM 768 CD2 LEU A 52 0.565 2.760 -13.820 1.00 0.00 C ATOM 0 H LEU A 52 3.945 1.969 -13.312 1.00 0.00 H new ATOM 0 HA LEU A 52 2.539 4.484 -13.129 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.386 1.761 -12.009 1.00 0.00 H new ATOM 0 HB3 LEU A 52 2.168 2.967 -10.756 1.00 0.00 H new ATOM 0 HG LEU A 52 -0.006 2.373 -11.779 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.753 4.661 -12.381 1.00 0.00 H new ATOM 0 HD12 LEU A 52 0.326 4.688 -10.966 1.00 0.00 H new ATOM 0 HD13 LEU A 52 0.944 5.165 -12.565 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -0.458 2.934 -14.155 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.242 3.421 -14.361 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.838 1.723 -14.015 1.00 0.00 H new ATOM 780 N GLU A 53 5.266 4.182 -11.528 1.00 0.00 N ATOM 781 CA GLU A 53 6.166 4.822 -10.571 1.00 0.00 C ATOM 782 C GLU A 53 6.554 6.224 -11.042 1.00 0.00 C ATOM 783 O GLU A 53 6.833 7.108 -10.233 1.00 0.00 O ATOM 784 CB GLU A 53 7.436 3.983 -10.382 1.00 0.00 C ATOM 785 CG GLU A 53 8.161 3.813 -11.726 1.00 0.00 C ATOM 786 CD GLU A 53 9.404 4.698 -11.760 1.00 0.00 C ATOM 787 OE1 GLU A 53 9.355 5.776 -11.191 1.00 0.00 O ATOM 788 OE2 GLU A 53 10.386 4.285 -12.355 1.00 0.00 O ATOM 0 H GLU A 53 5.716 3.529 -12.170 1.00 0.00 H new ATOM 0 HA GLU A 53 5.639 4.899 -9.620 1.00 0.00 H new ATOM 0 HB2 GLU A 53 8.097 4.466 -9.662 1.00 0.00 H new ATOM 0 HB3 GLU A 53 7.178 3.006 -9.973 1.00 0.00 H new ATOM 0 HG2 GLU A 53 8.443 2.770 -11.868 1.00 0.00 H new ATOM 0 HG3 GLU A 53 7.493 4.077 -12.546 1.00 0.00 H new ATOM 795 N SER A 54 6.576 6.416 -12.358 1.00 0.00 N ATOM 796 CA SER A 54 6.940 7.715 -12.921 1.00 0.00 C ATOM 797 C SER A 54 5.725 8.636 -12.987 1.00 0.00 C ATOM 798 O SER A 54 5.845 9.854 -12.855 1.00 0.00 O ATOM 799 CB SER A 54 7.510 7.547 -14.329 1.00 0.00 C ATOM 800 OG SER A 54 6.489 7.069 -15.195 1.00 0.00 O ATOM 0 H SER A 54 6.349 5.700 -13.048 1.00 0.00 H new ATOM 0 HA SER A 54 7.694 8.158 -12.271 1.00 0.00 H new ATOM 0 HB2 SER A 54 7.896 8.499 -14.694 1.00 0.00 H new ATOM 0 HB3 SER A 54 8.347 6.849 -14.314 1.00 0.00 H new ATOM 0 HG SER A 54 6.851 6.962 -16.099 1.00 0.00 H new ATOM 806 N ARG A 55 4.556 8.041 -13.200 1.00 0.00 N ATOM 807 CA ARG A 55 3.323 8.820 -13.291 1.00 0.00 C ATOM 808 C ARG A 55 2.869 9.280 -11.909 1.00 0.00 C ATOM 809 O ARG A 55 2.546 10.451 -11.705 1.00 0.00 O ATOM 810 CB ARG A 55 2.210 7.987 -13.932 1.00 0.00 C ATOM 811 CG ARG A 55 1.293 8.902 -14.747 1.00 0.00 C ATOM 812 CD ARG A 55 0.617 8.094 -15.857 1.00 0.00 C ATOM 813 NE ARG A 55 -0.700 7.630 -15.428 1.00 0.00 N ATOM 814 CZ ARG A 55 -1.439 6.848 -16.211 1.00 0.00 C ATOM 815 NH1 ARG A 55 -1.632 7.172 -17.460 1.00 0.00 N ATOM 816 NH2 ARG A 55 -1.970 5.758 -15.730 1.00 0.00 N ATOM 0 H ARG A 55 4.435 7.034 -13.312 1.00 0.00 H new ATOM 0 HA ARG A 55 3.527 9.694 -13.910 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.640 7.219 -14.575 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.636 7.472 -13.161 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.540 9.350 -14.099 1.00 0.00 H new ATOM 0 HG3 ARG A 55 1.869 9.720 -15.178 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.518 8.708 -16.752 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.240 7.240 -16.123 1.00 0.00 H new ATOM 0 HE ARG A 55 -1.058 7.910 -14.515 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.216 8.024 -17.836 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.198 6.573 -18.061 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -1.819 5.505 -14.754 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -2.536 5.159 -16.330 1.00 0.00 H new ATOM 830 N TYR A 56 2.843 8.347 -10.960 1.00 0.00 N ATOM 831 CA TYR A 56 2.422 8.671 -9.599 1.00 0.00 C ATOM 832 C TYR A 56 3.587 9.261 -8.808 1.00 0.00 C ATOM 833 O TYR A 56 3.426 10.235 -8.073 1.00 0.00 O ATOM 834 CB TYR A 56 1.908 7.416 -8.884 1.00 0.00 C ATOM 835 CG TYR A 56 0.459 7.169 -9.250 1.00 0.00 C ATOM 836 CD1 TYR A 56 0.059 7.155 -10.595 1.00 0.00 C ATOM 837 CD2 TYR A 56 -0.489 6.948 -8.242 1.00 0.00 C ATOM 838 CE1 TYR A 56 -1.280 6.922 -10.928 1.00 0.00 C ATOM 839 CE2 TYR A 56 -1.828 6.715 -8.576 1.00 0.00 C ATOM 840 CZ TYR A 56 -2.224 6.702 -9.918 1.00 0.00 C ATOM 841 OH TYR A 56 -3.544 6.471 -10.246 1.00 0.00 O ATOM 0 H TYR A 56 3.105 7.372 -11.105 1.00 0.00 H new ATOM 0 HA TYR A 56 1.618 9.405 -9.658 1.00 0.00 H new ATOM 0 HB2 TYR A 56 2.514 6.554 -9.163 1.00 0.00 H new ATOM 0 HB3 TYR A 56 2.004 7.537 -7.805 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.786 7.324 -11.375 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.186 6.957 -7.205 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.585 6.912 -11.964 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.556 6.545 -7.797 1.00 0.00 H new ATOM 0 HH TYR A 56 -4.066 6.337 -9.427 1.00 0.00 H new ATOM 851 N GLY A 57 4.765 8.664 -8.975 1.00 0.00 N ATOM 852 CA GLY A 57 5.956 9.145 -8.278 1.00 0.00 C ATOM 853 C GLY A 57 6.044 8.569 -6.869 1.00 0.00 C ATOM 854 O GLY A 57 5.686 9.227 -5.892 1.00 0.00 O ATOM 0 H GLY A 57 4.920 7.857 -9.579 1.00 0.00 H new ATOM 0 HA2 GLY A 57 6.847 8.869 -8.842 1.00 0.00 H new ATOM 0 HA3 GLY A 57 5.936 10.234 -8.228 1.00 0.00 H new ATOM 858 N VAL A 58 6.531 7.333 -6.772 1.00 0.00 N ATOM 859 CA VAL A 58 6.665 6.682 -5.480 1.00 0.00 C ATOM 860 C VAL A 58 8.118 6.747 -5.005 1.00 0.00 C ATOM 861 O VAL A 58 8.396 6.988 -3.830 1.00 0.00 O ATOM 862 CB VAL A 58 6.206 5.218 -5.573 1.00 0.00 C ATOM 863 CG1 VAL A 58 7.092 4.432 -6.545 1.00 0.00 C ATOM 864 CG2 VAL A 58 6.283 4.570 -4.193 1.00 0.00 C ATOM 0 H VAL A 58 6.835 6.771 -7.567 1.00 0.00 H new ATOM 0 HA VAL A 58 6.035 7.203 -4.759 1.00 0.00 H new ATOM 0 HB VAL A 58 5.179 5.201 -5.939 1.00 0.00 H new ATOM 0 HG11 VAL A 58 6.749 3.399 -6.595 1.00 0.00 H new ATOM 0 HG12 VAL A 58 7.034 4.882 -7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.124 4.455 -6.196 1.00 0.00 H new ATOM 0 HG21 VAL A 58 5.957 3.532 -4.260 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.311 4.605 -3.831 1.00 0.00 H new ATOM 0 HG23 VAL A 58 5.636 5.109 -3.501 1.00 0.00 H new ATOM 874 N SER A 59 9.038 6.525 -5.934 1.00 0.00 N ATOM 875 CA SER A 59 10.460 6.557 -5.604 1.00 0.00 C ATOM 876 C SER A 59 11.304 6.578 -6.876 1.00 0.00 C ATOM 877 O SER A 59 10.777 6.603 -7.988 1.00 0.00 O ATOM 878 CB SER A 59 10.839 5.335 -4.766 1.00 0.00 C ATOM 879 OG SER A 59 10.688 4.160 -5.551 1.00 0.00 O ATOM 0 H SER A 59 8.831 6.323 -6.912 1.00 0.00 H new ATOM 0 HA SER A 59 10.654 7.463 -5.030 1.00 0.00 H new ATOM 0 HB2 SER A 59 11.868 5.424 -4.418 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.207 5.278 -3.880 1.00 0.00 H new ATOM 0 HG SER A 59 11.332 3.484 -5.255 1.00 0.00 H new ATOM 885 N ILE A 60 12.623 6.574 -6.698 1.00 0.00 N ATOM 886 CA ILE A 60 13.536 6.600 -7.842 1.00 0.00 C ATOM 887 C ILE A 60 13.843 5.183 -8.355 1.00 0.00 C ATOM 888 O ILE A 60 13.811 4.951 -9.563 1.00 0.00 O ATOM 889 CB ILE A 60 14.849 7.310 -7.486 1.00 0.00 C ATOM 890 CG1 ILE A 60 14.541 8.655 -6.809 1.00 0.00 C ATOM 891 CG2 ILE A 60 15.652 7.557 -8.764 1.00 0.00 C ATOM 892 CD1 ILE A 60 14.673 8.511 -5.290 1.00 0.00 C ATOM 0 H ILE A 60 13.080 6.553 -5.787 1.00 0.00 H new ATOM 0 HA ILE A 60 13.033 7.155 -8.634 1.00 0.00 H new ATOM 0 HB ILE A 60 15.426 6.686 -6.804 1.00 0.00 H new ATOM 0 HG12 ILE A 60 15.226 9.421 -7.172 1.00 0.00 H new ATOM 0 HG13 ILE A 60 13.533 8.980 -7.067 1.00 0.00 H new ATOM 0 HG21 ILE A 60 16.586 8.061 -8.515 1.00 0.00 H new ATOM 0 HG22 ILE A 60 15.871 6.604 -9.246 1.00 0.00 H new ATOM 0 HG23 ILE A 60 15.072 8.182 -9.443 1.00 0.00 H new ATOM 0 HD11 ILE A 60 14.454 9.467 -4.814 1.00 0.00 H new ATOM 0 HD12 ILE A 60 13.970 7.758 -4.933 1.00 0.00 H new ATOM 0 HD13 ILE A 60 15.689 8.206 -5.040 1.00 0.00 H new ATOM 904 N PRO A 61 14.143 4.209 -7.470 1.00 0.00 N ATOM 905 CA PRO A 61 14.444 2.835 -7.916 1.00 0.00 C ATOM 906 C PRO A 61 13.181 2.017 -8.182 1.00 0.00 C ATOM 907 O PRO A 61 12.215 2.074 -7.419 1.00 0.00 O ATOM 908 CB PRO A 61 15.213 2.267 -6.730 1.00 0.00 C ATOM 909 CG PRO A 61 14.800 3.071 -5.504 1.00 0.00 C ATOM 910 CD PRO A 61 14.205 4.392 -6.000 1.00 0.00 C ATOM 0 HA PRO A 61 14.991 2.811 -8.859 1.00 0.00 H new ATOM 0 HB2 PRO A 61 14.984 1.210 -6.593 1.00 0.00 H new ATOM 0 HB3 PRO A 61 16.288 2.342 -6.896 1.00 0.00 H new ATOM 0 HG2 PRO A 61 14.070 2.520 -4.912 1.00 0.00 H new ATOM 0 HG3 PRO A 61 15.659 3.255 -4.859 1.00 0.00 H new ATOM 0 HD2 PRO A 61 13.218 4.573 -5.575 1.00 0.00 H new ATOM 0 HD3 PRO A 61 14.830 5.242 -5.727 1.00 0.00 H new ATOM 918 N ASP A 62 13.203 1.256 -9.271 1.00 0.00 N ATOM 919 CA ASP A 62 12.058 0.424 -9.633 1.00 0.00 C ATOM 920 C ASP A 62 12.211 -0.983 -9.059 1.00 0.00 C ATOM 921 O ASP A 62 11.224 -1.666 -8.786 1.00 0.00 O ATOM 922 CB ASP A 62 11.926 0.329 -11.154 1.00 0.00 C ATOM 923 CG ASP A 62 11.341 1.629 -11.694 1.00 0.00 C ATOM 924 OD1 ASP A 62 10.458 2.170 -11.048 1.00 0.00 O ATOM 925 OD2 ASP A 62 11.783 2.065 -12.743 1.00 0.00 O ATOM 0 H ASP A 62 13.993 1.197 -9.914 1.00 0.00 H new ATOM 0 HA ASP A 62 11.164 0.888 -9.217 1.00 0.00 H new ATOM 0 HB2 ASP A 62 12.901 0.142 -11.604 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.285 -0.510 -11.423 1.00 0.00 H new ATOM 930 N ASP A 63 13.460 -1.409 -8.879 1.00 0.00 N ATOM 931 CA ASP A 63 13.736 -2.740 -8.335 1.00 0.00 C ATOM 932 C ASP A 63 13.078 -2.927 -6.967 1.00 0.00 C ATOM 933 O ASP A 63 12.840 -4.054 -6.532 1.00 0.00 O ATOM 934 CB ASP A 63 15.246 -2.953 -8.190 1.00 0.00 C ATOM 935 CG ASP A 63 15.848 -1.808 -7.384 1.00 0.00 C ATOM 936 OD1 ASP A 63 15.715 -1.828 -6.172 1.00 0.00 O ATOM 937 OD2 ASP A 63 16.433 -0.925 -7.991 1.00 0.00 O ATOM 0 H ASP A 63 14.290 -0.859 -9.099 1.00 0.00 H new ATOM 0 HA ASP A 63 13.322 -3.470 -9.031 1.00 0.00 H new ATOM 0 HB2 ASP A 63 15.444 -3.903 -7.694 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.713 -3.004 -9.174 1.00 0.00 H new ATOM 942 N VAL A 64 12.786 -1.815 -6.288 1.00 0.00 N ATOM 943 CA VAL A 64 12.157 -1.882 -4.971 1.00 0.00 C ATOM 944 C VAL A 64 10.812 -2.607 -5.055 1.00 0.00 C ATOM 945 O VAL A 64 10.488 -3.449 -4.217 1.00 0.00 O ATOM 946 CB VAL A 64 11.957 -0.465 -4.402 1.00 0.00 C ATOM 947 CG1 VAL A 64 11.004 0.338 -5.295 1.00 0.00 C ATOM 948 CG2 VAL A 64 11.380 -0.551 -2.985 1.00 0.00 C ATOM 0 H VAL A 64 12.973 -0.870 -6.624 1.00 0.00 H new ATOM 0 HA VAL A 64 12.814 -2.441 -4.305 1.00 0.00 H new ATOM 0 HB VAL A 64 12.923 0.039 -4.372 1.00 0.00 H new ATOM 0 HG11 VAL A 64 10.872 1.337 -4.880 1.00 0.00 H new ATOM 0 HG12 VAL A 64 11.423 0.414 -6.298 1.00 0.00 H new ATOM 0 HG13 VAL A 64 10.038 -0.166 -5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 64 11.241 0.454 -2.587 1.00 0.00 H new ATOM 0 HG22 VAL A 64 10.420 -1.066 -3.014 1.00 0.00 H new ATOM 0 HG23 VAL A 64 12.069 -1.102 -2.345 1.00 0.00 H new ATOM 958 N ALA A 65 10.038 -2.269 -6.082 1.00 0.00 N ATOM 959 CA ALA A 65 8.731 -2.892 -6.276 1.00 0.00 C ATOM 960 C ALA A 65 8.882 -4.259 -6.936 1.00 0.00 C ATOM 961 O ALA A 65 8.089 -5.170 -6.698 1.00 0.00 O ATOM 962 CB ALA A 65 7.844 -2.013 -7.158 1.00 0.00 C ATOM 0 H ALA A 65 10.288 -1.575 -6.786 1.00 0.00 H new ATOM 0 HA ALA A 65 8.269 -3.010 -5.296 1.00 0.00 H new ATOM 0 HB1 ALA A 65 6.874 -2.493 -7.292 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.706 -1.042 -6.682 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.318 -1.877 -8.130 1.00 0.00 H new ATOM 968 N GLY A 66 9.909 -4.390 -7.770 1.00 0.00 N ATOM 969 CA GLY A 66 10.161 -5.649 -8.466 1.00 0.00 C ATOM 970 C GLY A 66 10.431 -6.780 -7.476 1.00 0.00 C ATOM 971 O GLY A 66 10.165 -7.947 -7.761 1.00 0.00 O ATOM 0 H GLY A 66 10.576 -3.647 -7.980 1.00 0.00 H new ATOM 0 HA2 GLY A 66 9.302 -5.903 -9.087 1.00 0.00 H new ATOM 0 HA3 GLY A 66 11.015 -5.534 -9.134 1.00 0.00 H new ATOM 975 N ARG A 67 10.966 -6.424 -6.310 1.00 0.00 N ATOM 976 CA ARG A 67 11.272 -7.424 -5.290 1.00 0.00 C ATOM 977 C ARG A 67 10.206 -7.418 -4.198 1.00 0.00 C ATOM 978 O ARG A 67 10.495 -7.662 -3.026 1.00 0.00 O ATOM 979 CB ARG A 67 12.637 -7.139 -4.658 1.00 0.00 C ATOM 980 CG ARG A 67 13.320 -8.459 -4.297 1.00 0.00 C ATOM 981 CD ARG A 67 14.670 -8.172 -3.637 1.00 0.00 C ATOM 982 NE ARG A 67 15.517 -9.361 -3.665 1.00 0.00 N ATOM 983 CZ ARG A 67 15.327 -10.358 -2.806 1.00 0.00 C ATOM 984 NH1 ARG A 67 15.872 -10.312 -1.622 1.00 0.00 N ATOM 985 NH2 ARG A 67 14.594 -11.382 -3.149 1.00 0.00 N ATOM 0 H ARG A 67 11.194 -5.464 -6.050 1.00 0.00 H new ATOM 0 HA ARG A 67 11.290 -8.402 -5.771 1.00 0.00 H new ATOM 0 HB2 ARG A 67 13.259 -6.573 -5.352 1.00 0.00 H new ATOM 0 HB3 ARG A 67 12.515 -6.525 -3.766 1.00 0.00 H new ATOM 0 HG2 ARG A 67 12.688 -9.035 -3.621 1.00 0.00 H new ATOM 0 HG3 ARG A 67 13.462 -9.064 -5.193 1.00 0.00 H new ATOM 0 HD2 ARG A 67 15.167 -7.352 -4.155 1.00 0.00 H new ATOM 0 HD3 ARG A 67 14.517 -7.852 -2.606 1.00 0.00 H new ATOM 0 HE ARG A 67 16.266 -9.428 -4.354 1.00 0.00 H new ATOM 0 HH11 ARG A 67 16.444 -9.511 -1.355 1.00 0.00 H new ATOM 0 HH12 ARG A 67 15.726 -11.077 -0.963 1.00 0.00 H new ATOM 0 HH21 ARG A 67 14.168 -11.417 -4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 67 14.447 -12.148 -2.491 1.00 0.00 H new ATOM 999 N VAL A 68 8.968 -7.139 -4.595 1.00 0.00 N ATOM 1000 CA VAL A 68 7.863 -7.104 -3.640 1.00 0.00 C ATOM 1001 C VAL A 68 7.289 -8.508 -3.443 1.00 0.00 C ATOM 1002 O VAL A 68 6.868 -9.163 -4.397 1.00 0.00 O ATOM 1003 CB VAL A 68 6.758 -6.146 -4.123 1.00 0.00 C ATOM 1004 CG1 VAL A 68 6.109 -6.675 -5.410 1.00 0.00 C ATOM 1005 CG2 VAL A 68 5.691 -6.009 -3.032 1.00 0.00 C ATOM 0 H VAL A 68 8.705 -6.936 -5.559 1.00 0.00 H new ATOM 0 HA VAL A 68 8.246 -6.740 -2.686 1.00 0.00 H new ATOM 0 HB VAL A 68 7.203 -5.173 -4.331 1.00 0.00 H new ATOM 0 HG11 VAL A 68 5.331 -5.985 -5.735 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.866 -6.763 -6.190 1.00 0.00 H new ATOM 0 HG13 VAL A 68 5.669 -7.654 -5.220 1.00 0.00 H new ATOM 0 HG21 VAL A 68 4.908 -5.331 -3.372 1.00 0.00 H new ATOM 0 HG22 VAL A 68 5.258 -6.987 -2.821 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.147 -5.611 -2.125 1.00 0.00 H new ATOM 1015 N ASP A 69 7.280 -8.960 -2.194 1.00 0.00 N ATOM 1016 CA ASP A 69 6.759 -10.287 -1.880 1.00 0.00 C ATOM 1017 C ASP A 69 5.343 -10.194 -1.316 1.00 0.00 C ATOM 1018 O ASP A 69 4.541 -11.114 -1.466 1.00 0.00 O ATOM 1019 CB ASP A 69 7.658 -10.985 -0.858 1.00 0.00 C ATOM 1020 CG ASP A 69 7.656 -12.488 -1.116 1.00 0.00 C ATOM 1021 OD1 ASP A 69 6.673 -13.125 -0.776 1.00 0.00 O ATOM 1022 OD2 ASP A 69 8.636 -12.979 -1.651 1.00 0.00 O ATOM 0 H ASP A 69 7.623 -8.435 -1.390 1.00 0.00 H new ATOM 0 HA ASP A 69 6.740 -10.864 -2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 69 8.674 -10.596 -0.926 1.00 0.00 H new ATOM 0 HB3 ASP A 69 7.305 -10.779 0.152 1.00 0.00 H new ATOM 1027 N THR A 70 5.046 -9.074 -0.661 1.00 0.00 N ATOM 1028 CA THR A 70 3.725 -8.878 -0.073 1.00 0.00 C ATOM 1029 C THR A 70 2.863 -7.974 -0.966 1.00 0.00 C ATOM 1030 O THR A 70 3.390 -7.176 -1.744 1.00 0.00 O ATOM 1031 CB THR A 70 3.844 -8.244 1.315 1.00 0.00 C ATOM 1032 OG1 THR A 70 5.045 -7.489 1.387 1.00 0.00 O ATOM 1033 CG2 THR A 70 3.868 -9.342 2.380 1.00 0.00 C ATOM 0 H THR A 70 5.694 -8.298 -0.525 1.00 0.00 H new ATOM 0 HA THR A 70 3.251 -9.855 0.014 1.00 0.00 H new ATOM 0 HB THR A 70 2.990 -7.590 1.489 1.00 0.00 H new ATOM 0 HG1 THR A 70 5.203 -7.214 2.314 1.00 0.00 H new ATOM 0 HG21 THR A 70 3.953 -8.889 3.368 1.00 0.00 H new ATOM 0 HG22 THR A 70 2.947 -9.923 2.325 1.00 0.00 H new ATOM 0 HG23 THR A 70 4.721 -9.998 2.207 1.00 0.00 H new ATOM 1041 N PRO A 71 1.525 -8.082 -0.866 1.00 0.00 N ATOM 1042 CA PRO A 71 0.610 -7.262 -1.676 1.00 0.00 C ATOM 1043 C PRO A 71 0.331 -5.912 -1.025 1.00 0.00 C ATOM 1044 O PRO A 71 0.497 -4.860 -1.641 1.00 0.00 O ATOM 1045 CB PRO A 71 -0.649 -8.119 -1.706 1.00 0.00 C ATOM 1046 CG PRO A 71 -0.603 -9.024 -0.476 1.00 0.00 C ATOM 1047 CD PRO A 71 0.835 -9.015 0.053 1.00 0.00 C ATOM 0 HA PRO A 71 1.009 -7.021 -2.661 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.542 -7.494 -1.691 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -0.690 -8.712 -2.620 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -1.294 -8.667 0.288 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -0.909 -10.038 -0.735 1.00 0.00 H new ATOM 0 HD2 PRO A 71 0.882 -8.672 1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 71 1.280 -10.010 0.027 1.00 0.00 H new ATOM 1055 N ARG A 72 -0.084 -5.960 0.241 1.00 0.00 N ATOM 1056 CA ARG A 72 -0.372 -4.737 0.989 1.00 0.00 C ATOM 1057 C ARG A 72 0.854 -3.819 1.025 1.00 0.00 C ATOM 1058 O ARG A 72 0.731 -2.614 1.238 1.00 0.00 O ATOM 1059 CB ARG A 72 -0.782 -5.074 2.425 1.00 0.00 C ATOM 1060 CG ARG A 72 -1.618 -3.928 3.000 1.00 0.00 C ATOM 1061 CD ARG A 72 -1.992 -4.247 4.449 1.00 0.00 C ATOM 1062 NE ARG A 72 -2.973 -3.287 4.951 1.00 0.00 N ATOM 1063 CZ ARG A 72 -4.268 -3.428 4.683 1.00 0.00 C ATOM 1064 NH1 ARG A 72 -4.870 -4.554 4.954 1.00 0.00 N ATOM 1065 NH2 ARG A 72 -4.936 -2.442 4.152 1.00 0.00 N ATOM 0 H ARG A 72 -0.227 -6.823 0.765 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.190 -4.224 0.484 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -1.355 -6.001 2.443 1.00 0.00 H new ATOM 0 HB3 ARG A 72 0.104 -5.235 3.039 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -1.056 -2.995 2.955 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -2.519 -3.786 2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -2.398 -5.256 4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -1.099 -4.223 5.074 1.00 0.00 H new ATOM 0 HE ARG A 72 -2.660 -2.497 5.515 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -4.347 -5.324 5.371 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -5.863 -4.664 4.749 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -4.465 -1.562 3.942 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -5.929 -2.551 3.947 1.00 0.00 H new ATOM 1079 N GLU A 73 2.037 -4.400 0.817 1.00 0.00 N ATOM 1080 CA GLU A 73 3.274 -3.621 0.828 1.00 0.00 C ATOM 1081 C GLU A 73 3.273 -2.600 -0.307 1.00 0.00 C ATOM 1082 O GLU A 73 3.578 -1.425 -0.104 1.00 0.00 O ATOM 1083 CB GLU A 73 4.483 -4.545 0.665 1.00 0.00 C ATOM 1084 CG GLU A 73 5.777 -3.751 0.867 1.00 0.00 C ATOM 1085 CD GLU A 73 6.354 -3.346 -0.487 1.00 0.00 C ATOM 1086 OE1 GLU A 73 5.909 -2.346 -1.025 1.00 0.00 O ATOM 1087 OE2 GLU A 73 7.237 -4.041 -0.962 1.00 0.00 O ATOM 0 H GLU A 73 2.163 -5.397 0.641 1.00 0.00 H new ATOM 0 HA GLU A 73 3.337 -3.100 1.783 1.00 0.00 H new ATOM 0 HB2 GLU A 73 4.429 -5.359 1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.475 -4.998 -0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.579 -2.863 1.468 1.00 0.00 H new ATOM 0 HG3 GLU A 73 6.501 -4.353 1.416 1.00 0.00 H new ATOM 1094 N LEU A 74 2.933 -3.067 -1.507 1.00 0.00 N ATOM 1095 CA LEU A 74 2.898 -2.192 -2.682 1.00 0.00 C ATOM 1096 C LEU A 74 1.979 -0.993 -2.444 1.00 0.00 C ATOM 1097 O LEU A 74 2.333 0.150 -2.742 1.00 0.00 O ATOM 1098 CB LEU A 74 2.405 -2.971 -3.906 1.00 0.00 C ATOM 1099 CG LEU A 74 3.132 -2.479 -5.158 1.00 0.00 C ATOM 1100 CD1 LEU A 74 4.394 -3.316 -5.375 1.00 0.00 C ATOM 1101 CD2 LEU A 74 2.211 -2.624 -6.371 1.00 0.00 C ATOM 0 H LEU A 74 2.680 -4.037 -1.693 1.00 0.00 H new ATOM 0 HA LEU A 74 3.910 -1.830 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 74 2.583 -4.037 -3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 74 1.329 -2.840 -4.023 1.00 0.00 H new ATOM 0 HG LEU A 74 3.406 -1.432 -5.032 1.00 0.00 H new ATOM 0 HD11 LEU A 74 4.913 -2.966 -6.267 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.050 -3.216 -4.510 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.119 -4.363 -5.502 1.00 0.00 H new ATOM 0 HD21 LEU A 74 2.728 -2.274 -7.264 1.00 0.00 H new ATOM 0 HD22 LEU A 74 1.938 -3.672 -6.497 1.00 0.00 H new ATOM 0 HD23 LEU A 74 1.310 -2.030 -6.217 1.00 0.00 H new ATOM 1113 N LEU A 75 0.793 -1.268 -1.900 1.00 0.00 N ATOM 1114 CA LEU A 75 -0.181 -0.209 -1.618 1.00 0.00 C ATOM 1115 C LEU A 75 0.431 0.873 -0.727 1.00 0.00 C ATOM 1116 O LEU A 75 0.478 2.040 -1.100 1.00 0.00 O ATOM 1117 CB LEU A 75 -1.414 -0.802 -0.920 1.00 0.00 C ATOM 1118 CG LEU A 75 -2.473 0.284 -0.687 1.00 0.00 C ATOM 1119 CD1 LEU A 75 -3.215 0.566 -1.992 1.00 0.00 C ATOM 1120 CD2 LEU A 75 -3.467 -0.199 0.369 1.00 0.00 C ATOM 0 H LEU A 75 0.484 -2.206 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.475 0.241 -2.566 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.834 -1.603 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.122 -1.245 0.033 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.987 1.197 -0.344 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.966 1.337 -1.824 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.507 0.908 -2.747 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -3.702 -0.346 -2.338 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -4.221 0.570 0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.951 -1.112 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.939 -0.400 1.301 1.00 0.00 H new ATOM 1132 N ASP A 76 0.886 0.471 0.453 1.00 0.00 N ATOM 1133 CA ASP A 76 1.484 1.415 1.399 1.00 0.00 C ATOM 1134 C ASP A 76 2.729 2.089 0.814 1.00 0.00 C ATOM 1135 O ASP A 76 3.181 3.113 1.323 1.00 0.00 O ATOM 1136 CB ASP A 76 1.876 0.697 2.690 1.00 0.00 C ATOM 1137 CG ASP A 76 1.997 1.714 3.820 1.00 0.00 C ATOM 1138 OD1 ASP A 76 0.969 2.180 4.285 1.00 0.00 O ATOM 1139 OD2 ASP A 76 3.115 2.013 4.205 1.00 0.00 O ATOM 0 H ASP A 76 0.855 -0.495 0.780 1.00 0.00 H new ATOM 0 HA ASP A 76 0.735 2.179 1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 76 1.129 -0.055 2.942 1.00 0.00 H new ATOM 0 HB3 ASP A 76 2.822 0.173 2.555 1.00 0.00 H new ATOM 1144 N LEU A 77 3.291 1.505 -0.243 1.00 0.00 N ATOM 1145 CA LEU A 77 4.489 2.072 -0.857 1.00 0.00 C ATOM 1146 C LEU A 77 4.165 3.358 -1.612 1.00 0.00 C ATOM 1147 O LEU A 77 4.665 4.432 -1.277 1.00 0.00 O ATOM 1148 CB LEU A 77 5.118 1.071 -1.828 1.00 0.00 C ATOM 1149 CG LEU A 77 6.636 1.261 -1.843 1.00 0.00 C ATOM 1150 CD1 LEU A 77 7.244 0.613 -0.598 1.00 0.00 C ATOM 1151 CD2 LEU A 77 7.219 0.604 -3.096 1.00 0.00 C ATOM 0 H LEU A 77 2.943 0.654 -0.685 1.00 0.00 H new ATOM 0 HA LEU A 77 5.192 2.298 -0.055 1.00 0.00 H new ATOM 0 HB2 LEU A 77 4.871 0.053 -1.528 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.713 1.215 -2.829 1.00 0.00 H new ATOM 0 HG LEU A 77 6.869 2.326 -1.848 1.00 0.00 H new ATOM 0 HD11 LEU A 77 8.326 0.748 -0.609 1.00 0.00 H new ATOM 0 HD12 LEU A 77 6.829 1.080 0.295 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.012 -0.452 -0.592 1.00 0.00 H new ATOM 0 HD21 LEU A 77 8.301 0.739 -3.108 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.986 -0.461 -3.090 1.00 0.00 H new ATOM 0 HD23 LEU A 77 6.786 1.065 -3.984 1.00 0.00 H new ATOM 1163 N ILE A 78 3.326 3.241 -2.638 1.00 0.00 N ATOM 1164 CA ILE A 78 2.950 4.409 -3.438 1.00 0.00 C ATOM 1165 C ILE A 78 2.241 5.447 -2.566 1.00 0.00 C ATOM 1166 O ILE A 78 2.404 6.653 -2.745 1.00 0.00 O ATOM 1167 CB ILE A 78 2.017 3.987 -4.578 1.00 0.00 C ATOM 1168 CG1 ILE A 78 2.696 2.900 -5.417 1.00 0.00 C ATOM 1169 CG2 ILE A 78 1.707 5.193 -5.467 1.00 0.00 C ATOM 1170 CD1 ILE A 78 1.641 1.917 -5.929 1.00 0.00 C ATOM 0 H ILE A 78 2.898 2.364 -2.934 1.00 0.00 H new ATOM 0 HA ILE A 78 3.858 4.848 -3.852 1.00 0.00 H new ATOM 0 HB ILE A 78 1.089 3.600 -4.158 1.00 0.00 H new ATOM 0 HG12 ILE A 78 3.226 3.351 -6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 78 3.438 2.373 -4.817 1.00 0.00 H new ATOM 0 HG21 ILE A 78 1.043 4.888 -6.276 1.00 0.00 H new ATOM 0 HG22 ILE A 78 1.222 5.968 -4.873 1.00 0.00 H new ATOM 0 HG23 ILE A 78 2.634 5.584 -5.886 1.00 0.00 H new ATOM 0 HD11 ILE A 78 2.124 1.143 -6.526 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.131 1.457 -5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.915 2.450 -6.544 1.00 0.00 H new ATOM 1182 N ASN A 79 1.441 4.948 -1.637 1.00 0.00 N ATOM 1183 CA ASN A 79 0.676 5.802 -0.729 1.00 0.00 C ATOM 1184 C ASN A 79 1.585 6.753 0.051 1.00 0.00 C ATOM 1185 O ASN A 79 1.444 7.972 -0.030 1.00 0.00 O ATOM 1186 CB ASN A 79 -0.103 4.933 0.266 1.00 0.00 C ATOM 1187 CG ASN A 79 -1.496 5.510 0.488 1.00 0.00 C ATOM 1188 OD1 ASN A 79 -2.494 4.696 0.696 1.00 0.00 O flip ATOM 1189 ND2 ASN A 79 -1.683 6.727 0.473 1.00 0.00 N flip ATOM 0 H ASN A 79 1.301 3.949 -1.488 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.009 6.396 -1.334 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.179 3.914 -0.112 1.00 0.00 H new ATOM 0 HB3 ASN A 79 0.433 4.882 1.214 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.901 7.361 0.310 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -2.620 7.101 0.623 1.00 0.00 H new ATOM 1196 N GLY A 80 2.503 6.179 0.826 1.00 0.00 N ATOM 1197 CA GLY A 80 3.418 6.979 1.644 1.00 0.00 C ATOM 1198 C GLY A 80 4.209 7.974 0.801 1.00 0.00 C ATOM 1199 O GLY A 80 4.260 9.165 1.110 1.00 0.00 O ATOM 0 H GLY A 80 2.634 5.171 0.906 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.851 7.517 2.404 1.00 0.00 H new ATOM 0 HA3 GLY A 80 4.108 6.318 2.169 1.00 0.00 H new ATOM 1203 N ALA A 81 4.838 7.475 -0.261 1.00 0.00 N ATOM 1204 CA ALA A 81 5.638 8.333 -1.136 1.00 0.00 C ATOM 1205 C ALA A 81 4.813 9.505 -1.668 1.00 0.00 C ATOM 1206 O ALA A 81 5.343 10.581 -1.939 1.00 0.00 O ATOM 1207 CB ALA A 81 6.177 7.531 -2.318 1.00 0.00 C ATOM 0 H ALA A 81 4.811 6.493 -0.535 1.00 0.00 H new ATOM 0 HA ALA A 81 6.466 8.723 -0.544 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.770 8.183 -2.960 1.00 0.00 H new ATOM 0 HB2 ALA A 81 6.802 6.717 -1.951 1.00 0.00 H new ATOM 0 HB3 ALA A 81 5.344 7.120 -2.889 1.00 0.00 H new ATOM 1213 N LEU A 82 3.510 9.283 -1.807 1.00 0.00 N ATOM 1214 CA LEU A 82 2.619 10.329 -2.299 1.00 0.00 C ATOM 1215 C LEU A 82 2.460 11.418 -1.241 1.00 0.00 C ATOM 1216 O LEU A 82 2.476 12.611 -1.543 1.00 0.00 O ATOM 1217 CB LEU A 82 1.238 9.741 -2.631 1.00 0.00 C ATOM 1218 CG LEU A 82 0.749 10.251 -3.994 1.00 0.00 C ATOM 1219 CD1 LEU A 82 0.666 11.782 -3.984 1.00 0.00 C ATOM 1220 CD2 LEU A 82 1.712 9.790 -5.098 1.00 0.00 C ATOM 0 H LEU A 82 3.051 8.399 -1.589 1.00 0.00 H new ATOM 0 HA LEU A 82 3.054 10.757 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 82 1.293 8.652 -2.642 1.00 0.00 H new ATOM 0 HB3 LEU A 82 0.523 10.016 -1.856 1.00 0.00 H new ATOM 0 HG LEU A 82 -0.243 9.844 -4.189 1.00 0.00 H new ATOM 0 HD11 LEU A 82 0.318 12.134 -4.955 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -0.031 12.104 -3.211 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.652 12.199 -3.779 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.360 10.155 -6.063 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.708 10.187 -4.901 1.00 0.00 H new ATOM 0 HD23 LEU A 82 1.752 8.701 -5.114 1.00 0.00 H new ATOM 1232 N ALA A 83 2.308 10.981 0.004 1.00 0.00 N ATOM 1233 CA ALA A 83 2.146 11.906 1.123 1.00 0.00 C ATOM 1234 C ALA A 83 3.357 12.826 1.240 1.00 0.00 C ATOM 1235 O ALA A 83 3.236 13.989 1.626 1.00 0.00 O ATOM 1236 CB ALA A 83 1.981 11.130 2.431 1.00 0.00 C ATOM 0 H ALA A 83 2.293 9.995 0.265 1.00 0.00 H new ATOM 0 HA ALA A 83 1.255 12.506 0.938 1.00 0.00 H new ATOM 0 HB1 ALA A 83 1.861 11.831 3.257 1.00 0.00 H new ATOM 0 HB2 ALA A 83 1.100 10.491 2.366 1.00 0.00 H new ATOM 0 HB3 ALA A 83 2.864 10.514 2.603 1.00 0.00 H new ATOM 1242 N GLU A 84 4.528 12.291 0.905 1.00 0.00 N ATOM 1243 CA GLU A 84 5.760 13.072 0.978 1.00 0.00 C ATOM 1244 C GLU A 84 6.378 13.223 -0.410 1.00 0.00 C ATOM 1245 O GLU A 84 7.598 13.166 -0.576 1.00 0.00 O ATOM 1246 CB GLU A 84 6.768 12.393 1.908 1.00 0.00 C ATOM 1247 CG GLU A 84 6.130 12.179 3.282 1.00 0.00 C ATOM 1248 CD GLU A 84 7.210 12.224 4.358 1.00 0.00 C ATOM 1249 OE1 GLU A 84 8.168 11.480 4.239 1.00 0.00 O ATOM 1250 OE2 GLU A 84 7.062 13.003 5.285 1.00 0.00 O ATOM 0 H GLU A 84 4.650 11.331 0.584 1.00 0.00 H new ATOM 0 HA GLU A 84 5.513 14.058 1.372 1.00 0.00 H new ATOM 0 HB2 GLU A 84 7.081 11.437 1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 84 7.663 13.008 2.003 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.382 12.949 3.471 1.00 0.00 H new ATOM 0 HG3 GLU A 84 5.614 11.219 3.310 1.00 0.00 H new ATOM 1257 N ALA A 85 5.519 13.419 -1.406 1.00 0.00 N ATOM 1258 CA ALA A 85 5.985 13.581 -2.781 1.00 0.00 C ATOM 1259 C ALA A 85 6.269 15.049 -3.076 1.00 0.00 C ATOM 1260 O ALA A 85 7.229 15.384 -3.771 1.00 0.00 O ATOM 1261 CB ALA A 85 4.930 13.071 -3.766 1.00 0.00 C ATOM 0 H ALA A 85 4.507 13.469 -1.290 1.00 0.00 H new ATOM 0 HA ALA A 85 6.901 13.002 -2.897 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.293 13.199 -4.786 1.00 0.00 H new ATOM 0 HB2 ALA A 85 4.738 12.014 -3.579 1.00 0.00 H new ATOM 0 HB3 ALA A 85 4.007 13.636 -3.636 1.00 0.00 H new ATOM 1267 N ALA A 86 5.422 15.923 -2.538 1.00 0.00 N ATOM 1268 CA ALA A 86 5.584 17.360 -2.745 1.00 0.00 C ATOM 1269 C ALA A 86 5.512 17.699 -4.232 1.00 0.00 C ATOM 1270 O ALA A 86 6.524 17.557 -4.900 1.00 0.00 O ATOM 1271 CB ALA A 86 6.929 17.835 -2.191 1.00 0.00 C ATOM 1272 OXT ALA A 86 4.448 18.094 -4.679 1.00 0.00 O ATOM 0 H ALA A 86 4.622 15.665 -1.960 1.00 0.00 H new ATOM 0 HA ALA A 86 4.775 17.866 -2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 86 7.031 18.908 -2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 86 6.977 17.625 -1.123 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.738 17.311 -2.701 1.00 0.00 H new TER 1278 ALA A 86