USER MOD reduce.3.24.130724 H: found=0, std=0, add=617, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 615 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 41 GLN : amide:sc= -0.291 X(o=-0.31,f=-0.28) USER MOD Set 1.2: A 54 GLN : amide:sc= -0.0229 X(o=-0.31,f=-0.27) USER MOD Single : A 1 MET CE :methyl -139:sc= 0 (180deg=-0.566) USER MOD Single : A 1 MET N :NH3+ -121:sc= 0.00772 (180deg=-0.0639) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 178:sc= 0.175 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 HIS : no HD1:sc= -0.0579 X(o=-0.058,f=-0.1) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ -155:sc= 0.622 (180deg=0.0645) USER MOD Single : A 36 SER OG : rot 44:sc= 0.323 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= -0.675 K(o=-0.67,f=-1.6!) USER MOD Single : A 49 GLN : amide:sc= -1.35 K(o=-1.4,f=-3!) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot -13:sc= 0.676 USER MOD Single : A 66 CYS SG : rot 111:sc= -1.78! USER MOD Single : A 70 GLN : amide:sc= 0.459 X(o=0.46,f=-0.027) USER MOD Single : A 72 SER OG : rot 33:sc= 0.202 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.929 6.818 8.951 1.00 21.04 N ATOM 2 CA MET A 1 -5.859 6.427 8.005 1.00 10.53 C ATOM 3 C MET A 1 -5.006 5.285 8.593 1.00 4.50 C ATOM 4 O MET A 1 -4.805 5.215 9.808 1.00 75.24 O ATOM 5 CB MET A 1 -4.979 7.656 7.658 1.00 11.14 C ATOM 6 CG MET A 1 -5.728 8.774 6.922 1.00 12.42 C ATOM 7 SD MET A 1 -4.656 10.145 6.446 1.00 20.44 S ATOM 8 CE MET A 1 -5.793 11.227 5.571 1.00 53.30 C ATOM 0 H1 MET A 1 -7.856 6.694 8.497 1.00 21.04 H new ATOM 0 H2 MET A 1 -6.877 6.220 9.800 1.00 21.04 H new ATOM 0 H3 MET A 1 -6.806 7.815 9.221 1.00 21.04 H new ATOM 0 HA MET A 1 -6.318 6.063 7.086 1.00 10.53 H new ATOM 0 HB2 MET A 1 -4.558 8.060 8.579 1.00 11.14 H new ATOM 0 HB3 MET A 1 -4.142 7.328 7.042 1.00 11.14 H new ATOM 0 HG2 MET A 1 -6.200 8.362 6.030 1.00 12.42 H new ATOM 0 HG3 MET A 1 -6.528 9.150 7.560 1.00 12.42 H new ATOM 0 HE1 MET A 1 -5.301 11.634 4.688 1.00 53.30 H new ATOM 0 HE2 MET A 1 -6.674 10.661 5.268 1.00 53.30 H new ATOM 0 HE3 MET A 1 -6.095 12.044 6.226 1.00 53.30 H new ATOM 18 N THR A 2 -4.507 4.401 7.716 1.00 22.33 N ATOM 19 CA THR A 2 -3.745 3.190 8.105 1.00 11.15 C ATOM 20 C THR A 2 -2.219 3.421 7.878 1.00 3.52 C ATOM 21 O THR A 2 -1.692 3.149 6.799 1.00 3.02 O ATOM 22 CB THR A 2 -4.279 1.951 7.288 1.00 35.12 C ATOM 23 OG1 THR A 2 -5.719 1.970 7.265 1.00 1.34 O ATOM 24 CG2 THR A 2 -3.821 0.591 7.862 1.00 13.32 C ATOM 0 H THR A 2 -4.618 4.501 6.707 1.00 22.33 H new ATOM 0 HA THR A 2 -3.889 2.985 9.166 1.00 11.15 H new ATOM 0 HB THR A 2 -3.860 2.044 6.286 1.00 35.12 H new ATOM 0 HG1 THR A 2 -6.048 1.200 6.755 1.00 1.34 H new ATOM 0 HG21 THR A 2 -4.225 -0.216 7.251 1.00 13.32 H new ATOM 0 HG22 THR A 2 -2.732 0.541 7.855 1.00 13.32 H new ATOM 0 HG23 THR A 2 -4.183 0.487 8.885 1.00 13.32 H new ATOM 32 N ARG A 3 -1.527 3.968 8.906 1.00 24.11 N ATOM 33 CA ARG A 3 -0.098 4.402 8.802 1.00 20.05 C ATOM 34 C ARG A 3 0.880 3.202 8.885 1.00 14.42 C ATOM 35 O ARG A 3 0.689 2.297 9.703 1.00 54.33 O ATOM 36 CB ARG A 3 0.288 5.417 9.927 1.00 52.02 C ATOM 37 CG ARG A 3 -0.485 6.765 9.960 1.00 14.31 C ATOM 38 CD ARG A 3 -1.928 6.638 10.483 1.00 43.35 C ATOM 39 NE ARG A 3 -2.555 7.948 10.731 1.00 25.15 N ATOM 40 CZ ARG A 3 -3.424 8.207 11.687 1.00 34.43 C ATOM 41 NH1 ARG A 3 -3.846 7.277 12.496 1.00 43.12 N ATOM 42 NH2 ARG A 3 -3.859 9.411 11.839 1.00 22.45 N ATOM 0 H ARG A 3 -1.933 4.123 9.829 1.00 24.11 H new ATOM 0 HA ARG A 3 -0.009 4.882 7.827 1.00 20.05 H new ATOM 0 HB2 ARG A 3 0.150 4.924 10.889 1.00 52.02 H new ATOM 0 HB3 ARG A 3 1.351 5.639 9.832 1.00 52.02 H new ATOM 0 HG2 ARG A 3 0.059 7.470 10.588 1.00 14.31 H new ATOM 0 HG3 ARG A 3 -0.508 7.185 8.955 1.00 14.31 H new ATOM 0 HD2 ARG A 3 -2.526 6.084 9.760 1.00 43.35 H new ATOM 0 HD3 ARG A 3 -1.927 6.059 11.406 1.00 43.35 H new ATOM 0 HE ARG A 3 -2.295 8.717 10.113 1.00 25.15 H new ATOM 0 HH11 ARG A 3 -3.503 6.321 12.398 1.00 43.12 H new ATOM 0 HH12 ARG A 3 -4.519 7.505 13.228 1.00 43.12 H new ATOM 0 HH21 ARG A 3 -3.530 10.154 11.222 1.00 22.45 H new ATOM 0 HH22 ARG A 3 -4.532 9.621 12.576 1.00 22.45 H new ATOM 56 N VAL A 4 1.932 3.220 8.033 1.00 44.12 N ATOM 57 CA VAL A 4 3.024 2.204 8.029 1.00 3.53 C ATOM 58 C VAL A 4 4.392 2.905 7.766 1.00 50.11 C ATOM 59 O VAL A 4 4.493 3.761 6.885 1.00 64.24 O ATOM 60 CB VAL A 4 2.780 1.078 6.936 1.00 2.13 C ATOM 61 CG1 VAL A 4 3.952 0.062 6.880 1.00 54.01 C ATOM 62 CG2 VAL A 4 1.429 0.338 7.155 1.00 3.44 C ATOM 0 H VAL A 4 2.052 3.942 7.323 1.00 44.12 H new ATOM 0 HA VAL A 4 3.034 1.722 9.006 1.00 3.53 H new ATOM 0 HB VAL A 4 2.731 1.589 5.974 1.00 2.13 H new ATOM 0 HG11 VAL A 4 3.745 -0.691 6.120 1.00 54.01 H new ATOM 0 HG12 VAL A 4 4.875 0.585 6.631 1.00 54.01 H new ATOM 0 HG13 VAL A 4 4.060 -0.422 7.850 1.00 54.01 H new ATOM 0 HG21 VAL A 4 1.302 -0.424 6.386 1.00 3.44 H new ATOM 0 HG22 VAL A 4 1.428 -0.135 8.137 1.00 3.44 H new ATOM 0 HG23 VAL A 4 0.609 1.053 7.096 1.00 3.44 H new ATOM 72 N ARG A 5 5.438 2.550 8.540 1.00 63.41 N ATOM 73 CA ARG A 5 6.813 3.094 8.350 1.00 43.52 C ATOM 74 C ARG A 5 7.625 2.189 7.379 1.00 65.52 C ATOM 75 O ARG A 5 7.468 0.964 7.383 1.00 23.10 O ATOM 76 CB ARG A 5 7.544 3.213 9.719 1.00 13.04 C ATOM 77 CG ARG A 5 8.854 4.048 9.676 1.00 14.43 C ATOM 78 CD ARG A 5 9.644 4.013 11.001 1.00 3.04 C ATOM 79 NE ARG A 5 8.855 4.471 12.157 1.00 51.23 N ATOM 80 CZ ARG A 5 9.080 4.136 13.414 1.00 5.23 C ATOM 81 NH1 ARG A 5 10.039 3.317 13.741 1.00 63.20 N ATOM 82 NH2 ARG A 5 8.324 4.620 14.341 1.00 11.14 N ATOM 0 H ARG A 5 5.363 1.885 9.310 1.00 63.41 H new ATOM 0 HA ARG A 5 6.734 4.089 7.912 1.00 43.52 H new ATOM 0 HB2 ARG A 5 6.864 3.663 10.442 1.00 13.04 H new ATOM 0 HB3 ARG A 5 7.777 2.212 10.081 1.00 13.04 H new ATOM 0 HG2 ARG A 5 9.489 3.674 8.873 1.00 14.43 H new ATOM 0 HG3 ARG A 5 8.610 5.082 9.434 1.00 14.43 H new ATOM 0 HD2 ARG A 5 9.989 2.995 11.184 1.00 3.04 H new ATOM 0 HD3 ARG A 5 10.532 4.638 10.904 1.00 3.04 H new ATOM 0 HE ARG A 5 8.072 5.097 11.972 1.00 51.23 H new ATOM 0 HH11 ARG A 5 10.638 2.918 13.018 1.00 63.20 H new ATOM 0 HH12 ARG A 5 10.191 3.075 14.720 1.00 63.20 H new ATOM 0 HH21 ARG A 5 7.563 5.254 14.099 1.00 11.14 H new ATOM 0 HH22 ARG A 5 8.488 4.369 15.316 1.00 11.14 H new ATOM 96 N SER A 6 8.505 2.801 6.560 1.00 62.41 N ATOM 97 CA SER A 6 9.278 2.082 5.510 1.00 1.12 C ATOM 98 C SER A 6 10.800 2.366 5.617 1.00 42.02 C ATOM 99 O SER A 6 11.229 3.369 6.212 1.00 12.13 O ATOM 100 CB SER A 6 8.751 2.481 4.115 1.00 34.53 C ATOM 101 OG SER A 6 9.432 1.802 3.070 1.00 74.44 O ATOM 0 H SER A 6 8.703 3.801 6.602 1.00 62.41 H new ATOM 0 HA SER A 6 9.139 1.011 5.660 1.00 1.12 H new ATOM 0 HB2 SER A 6 7.685 2.261 4.055 1.00 34.53 H new ATOM 0 HB3 SER A 6 8.863 3.557 3.980 1.00 34.53 H new ATOM 0 HG SER A 6 9.045 2.058 2.207 1.00 74.44 H new ATOM 107 N THR A 7 11.605 1.467 5.018 1.00 13.22 N ATOM 108 CA THR A 7 13.090 1.524 5.030 1.00 40.31 C ATOM 109 C THR A 7 13.661 1.800 3.613 1.00 54.53 C ATOM 110 O THR A 7 13.062 1.393 2.621 1.00 23.43 O ATOM 111 CB THR A 7 13.703 0.185 5.567 1.00 14.22 C ATOM 112 OG1 THR A 7 13.084 -0.943 4.926 1.00 13.33 O ATOM 113 CG2 THR A 7 13.580 0.068 7.093 1.00 10.54 C ATOM 0 H THR A 7 11.241 0.666 4.502 1.00 13.22 H new ATOM 0 HA THR A 7 13.366 2.344 5.693 1.00 40.31 H new ATOM 0 HB THR A 7 14.766 0.193 5.325 1.00 14.22 H new ATOM 0 HG1 THR A 7 13.478 -1.772 5.270 1.00 13.33 H new ATOM 0 HG21 THR A 7 14.017 -0.875 7.422 1.00 10.54 H new ATOM 0 HG22 THR A 7 14.107 0.897 7.565 1.00 10.54 H new ATOM 0 HG23 THR A 7 12.528 0.098 7.377 1.00 10.54 H new ATOM 121 N PRO A 8 14.859 2.469 3.504 1.00 51.25 N ATOM 122 CA PRO A 8 15.456 2.863 2.204 1.00 4.51 C ATOM 123 C PRO A 8 16.186 1.693 1.468 1.00 23.02 C ATOM 124 O PRO A 8 17.328 1.342 1.779 1.00 72.14 O ATOM 125 CB PRO A 8 16.413 3.998 2.643 1.00 24.43 C ATOM 126 CG PRO A 8 16.922 3.550 3.977 1.00 15.25 C ATOM 127 CD PRO A 8 15.734 2.891 4.641 1.00 51.13 C ATOM 0 HA PRO A 8 14.719 3.166 1.460 1.00 4.51 H new ATOM 0 HB2 PRO A 8 17.227 4.132 1.930 1.00 24.43 H new ATOM 0 HB3 PRO A 8 15.892 4.953 2.715 1.00 24.43 H new ATOM 0 HG2 PRO A 8 17.753 2.852 3.870 1.00 15.25 H new ATOM 0 HG3 PRO A 8 17.287 4.392 4.565 1.00 15.25 H new ATOM 0 HD2 PRO A 8 16.040 2.037 5.245 1.00 51.13 H new ATOM 0 HD3 PRO A 8 15.216 3.583 5.306 1.00 51.13 H new ATOM 135 N GLY A 9 15.485 1.076 0.503 1.00 23.41 N ATOM 136 CA GLY A 9 16.035 -0.018 -0.326 1.00 32.11 C ATOM 137 C GLY A 9 15.359 -1.378 -0.104 1.00 42.01 C ATOM 138 O GLY A 9 15.542 -2.297 -0.912 1.00 24.41 O ATOM 0 H GLY A 9 14.521 1.319 0.273 1.00 23.41 H new ATOM 0 HA2 GLY A 9 15.940 0.255 -1.377 1.00 32.11 H new ATOM 0 HA3 GLY A 9 17.100 -0.116 -0.117 1.00 32.11 H new ATOM 142 N GLY A 10 14.575 -1.516 0.991 1.00 51.33 N ATOM 143 CA GLY A 10 13.902 -2.790 1.324 1.00 74.12 C ATOM 144 C GLY A 10 12.595 -3.020 0.551 1.00 14.22 C ATOM 145 O GLY A 10 12.498 -2.691 -0.635 1.00 44.03 O ATOM 0 H GLY A 10 14.395 -0.763 1.655 1.00 51.33 H new ATOM 0 HA2 GLY A 10 14.584 -3.615 1.120 1.00 74.12 H new ATOM 0 HA3 GLY A 10 13.689 -2.810 2.393 1.00 74.12 H new ATOM 149 N ASP A 11 11.593 -3.621 1.217 1.00 40.44 N ATOM 150 CA ASP A 11 10.238 -3.805 0.648 1.00 12.31 C ATOM 151 C ASP A 11 9.149 -3.342 1.646 1.00 64.13 C ATOM 152 O ASP A 11 9.140 -3.751 2.811 1.00 34.03 O ATOM 153 CB ASP A 11 10.004 -5.277 0.201 1.00 63.40 C ATOM 154 CG ASP A 11 10.145 -6.313 1.330 1.00 44.03 C ATOM 155 OD1 ASP A 11 11.276 -6.772 1.592 1.00 21.12 O ATOM 156 OD2 ASP A 11 9.125 -6.678 1.954 1.00 54.31 O ATOM 0 H ASP A 11 11.695 -3.993 2.161 1.00 40.44 H new ATOM 0 HA ASP A 11 10.165 -3.179 -0.241 1.00 12.31 H new ATOM 0 HB2 ASP A 11 9.006 -5.359 -0.229 1.00 63.40 H new ATOM 0 HB3 ASP A 11 10.713 -5.521 -0.590 1.00 63.40 H new ATOM 161 N LEU A 12 8.255 -2.461 1.182 1.00 33.02 N ATOM 162 CA LEU A 12 7.096 -1.994 1.961 1.00 25.40 C ATOM 163 C LEU A 12 5.994 -3.065 1.958 1.00 24.21 C ATOM 164 O LEU A 12 5.560 -3.474 0.897 1.00 32.21 O ATOM 165 CB LEU A 12 6.537 -0.690 1.336 1.00 54.51 C ATOM 166 CG LEU A 12 5.244 -0.116 1.996 1.00 54.24 C ATOM 167 CD1 LEU A 12 5.522 0.412 3.420 1.00 30.23 C ATOM 168 CD2 LEU A 12 4.594 0.959 1.101 1.00 44.10 C ATOM 0 H LEU A 12 8.313 -2.048 0.251 1.00 33.02 H new ATOM 0 HA LEU A 12 7.415 -1.804 2.986 1.00 25.40 H new ATOM 0 HB2 LEU A 12 7.314 0.073 1.381 1.00 54.51 H new ATOM 0 HB3 LEU A 12 6.332 -0.875 0.281 1.00 54.51 H new ATOM 0 HG LEU A 12 4.529 -0.933 2.094 1.00 54.24 H new ATOM 0 HD11 LEU A 12 4.600 0.804 3.849 1.00 30.23 H new ATOM 0 HD12 LEU A 12 5.895 -0.401 4.043 1.00 30.23 H new ATOM 0 HD13 LEU A 12 6.267 1.206 3.375 1.00 30.23 H new ATOM 0 HD21 LEU A 12 3.696 1.341 1.586 1.00 44.10 H new ATOM 0 HD22 LEU A 12 5.298 1.777 0.945 1.00 44.10 H new ATOM 0 HD23 LEU A 12 4.329 0.520 0.139 1.00 44.10 H new ATOM 180 N GLU A 13 5.548 -3.519 3.139 1.00 14.24 N ATOM 181 CA GLU A 13 4.381 -4.419 3.253 1.00 21.25 C ATOM 182 C GLU A 13 3.246 -3.712 4.023 1.00 31.41 C ATOM 183 O GLU A 13 3.378 -3.422 5.219 1.00 73.00 O ATOM 184 CB GLU A 13 4.747 -5.764 3.950 1.00 30.34 C ATOM 185 CG GLU A 13 3.536 -6.716 4.105 1.00 1.11 C ATOM 186 CD GLU A 13 3.805 -8.011 4.888 1.00 31.53 C ATOM 187 OE1 GLU A 13 4.546 -7.973 5.897 1.00 44.50 O ATOM 188 OE2 GLU A 13 3.224 -9.062 4.535 1.00 34.25 O ATOM 0 H GLU A 13 5.976 -3.279 4.033 1.00 14.24 H new ATOM 0 HA GLU A 13 4.046 -4.656 2.243 1.00 21.25 H new ATOM 0 HB2 GLU A 13 5.524 -6.265 3.374 1.00 30.34 H new ATOM 0 HB3 GLU A 13 5.165 -5.554 4.934 1.00 30.34 H new ATOM 0 HG2 GLU A 13 2.731 -6.173 4.601 1.00 1.11 H new ATOM 0 HG3 GLU A 13 3.176 -6.982 3.111 1.00 1.11 H new ATOM 195 N LEU A 14 2.144 -3.418 3.321 1.00 64.51 N ATOM 196 CA LEU A 14 0.933 -2.856 3.933 1.00 64.43 C ATOM 197 C LEU A 14 -0.016 -4.003 4.339 1.00 24.40 C ATOM 198 O LEU A 14 -0.698 -4.571 3.490 1.00 54.05 O ATOM 199 CB LEU A 14 0.246 -1.901 2.918 1.00 30.43 C ATOM 200 CG LEU A 14 1.148 -0.742 2.384 1.00 61.05 C ATOM 201 CD1 LEU A 14 0.408 0.123 1.357 1.00 65.12 C ATOM 202 CD2 LEU A 14 1.690 0.124 3.533 1.00 20.43 C ATOM 0 H LEU A 14 2.067 -3.563 2.314 1.00 64.51 H new ATOM 0 HA LEU A 14 1.191 -2.289 4.828 1.00 64.43 H new ATOM 0 HB2 LEU A 14 -0.104 -2.489 2.069 1.00 30.43 H new ATOM 0 HB3 LEU A 14 -0.635 -1.467 3.390 1.00 30.43 H new ATOM 0 HG LEU A 14 1.997 -1.205 1.881 1.00 61.05 H new ATOM 0 HD11 LEU A 14 1.067 0.918 1.009 1.00 65.12 H new ATOM 0 HD12 LEU A 14 0.106 -0.495 0.511 1.00 65.12 H new ATOM 0 HD13 LEU A 14 -0.476 0.561 1.820 1.00 65.12 H new ATOM 0 HD21 LEU A 14 2.313 0.920 3.126 1.00 20.43 H new ATOM 0 HD22 LEU A 14 0.857 0.561 4.084 1.00 20.43 H new ATOM 0 HD23 LEU A 14 2.285 -0.494 4.205 1.00 20.43 H new ATOM 214 N VAL A 15 -0.037 -4.342 5.642 1.00 2.51 N ATOM 215 CA VAL A 15 -0.939 -5.384 6.187 1.00 53.24 C ATOM 216 C VAL A 15 -2.244 -4.717 6.653 1.00 12.23 C ATOM 217 O VAL A 15 -2.265 -4.020 7.673 1.00 1.42 O ATOM 218 CB VAL A 15 -0.289 -6.175 7.380 1.00 65.34 C ATOM 219 CG1 VAL A 15 -1.221 -7.313 7.877 1.00 34.32 C ATOM 220 CG2 VAL A 15 1.099 -6.726 6.987 1.00 74.14 C ATOM 0 H VAL A 15 0.563 -3.908 6.344 1.00 2.51 H new ATOM 0 HA VAL A 15 -1.137 -6.107 5.395 1.00 53.24 H new ATOM 0 HB VAL A 15 -0.152 -5.476 8.206 1.00 65.34 H new ATOM 0 HG11 VAL A 15 -0.743 -7.841 8.702 1.00 34.32 H new ATOM 0 HG12 VAL A 15 -2.165 -6.888 8.217 1.00 34.32 H new ATOM 0 HG13 VAL A 15 -1.410 -8.011 7.061 1.00 34.32 H new ATOM 0 HG21 VAL A 15 1.527 -7.269 7.830 1.00 74.14 H new ATOM 0 HG22 VAL A 15 0.996 -7.400 6.136 1.00 74.14 H new ATOM 0 HG23 VAL A 15 1.756 -5.899 6.717 1.00 74.14 H new ATOM 230 N VAL A 16 -3.328 -4.941 5.906 1.00 1.51 N ATOM 231 CA VAL A 16 -4.585 -4.194 6.088 1.00 1.41 C ATOM 232 C VAL A 16 -5.586 -5.003 6.931 1.00 13.31 C ATOM 233 O VAL A 16 -6.085 -6.039 6.490 1.00 61.41 O ATOM 234 CB VAL A 16 -5.245 -3.849 4.704 1.00 41.41 C ATOM 235 CG1 VAL A 16 -6.348 -2.794 4.857 1.00 5.10 C ATOM 236 CG2 VAL A 16 -4.188 -3.404 3.676 1.00 14.33 C ATOM 0 H VAL A 16 -3.364 -5.638 5.163 1.00 1.51 H new ATOM 0 HA VAL A 16 -4.337 -3.268 6.607 1.00 1.41 H new ATOM 0 HB VAL A 16 -5.711 -4.760 4.328 1.00 41.41 H new ATOM 0 HG11 VAL A 16 -6.783 -2.579 3.881 1.00 5.10 H new ATOM 0 HG12 VAL A 16 -7.123 -3.172 5.525 1.00 5.10 H new ATOM 0 HG13 VAL A 16 -5.923 -1.881 5.274 1.00 5.10 H new ATOM 0 HG21 VAL A 16 -4.676 -3.172 2.729 1.00 14.33 H new ATOM 0 HG22 VAL A 16 -3.672 -2.517 4.045 1.00 14.33 H new ATOM 0 HG23 VAL A 16 -3.466 -4.207 3.525 1.00 14.33 H new ATOM 246 N HIS A 17 -5.892 -4.508 8.139 1.00 21.21 N ATOM 247 CA HIS A 17 -6.914 -5.113 9.021 1.00 1.23 C ATOM 248 C HIS A 17 -8.323 -4.507 8.767 1.00 11.42 C ATOM 249 O HIS A 17 -9.141 -4.388 9.686 1.00 25.24 O ATOM 250 CB HIS A 17 -6.456 -4.977 10.493 1.00 4.23 C ATOM 251 CG HIS A 17 -5.262 -5.846 10.818 1.00 71.11 C ATOM 252 ND1 HIS A 17 -3.975 -5.544 10.416 1.00 54.14 N ATOM 253 CD2 HIS A 17 -5.172 -7.032 11.471 1.00 53.13 C ATOM 254 CE1 HIS A 17 -3.158 -6.502 10.796 1.00 2.43 C ATOM 255 NE2 HIS A 17 -3.852 -7.415 11.438 1.00 55.52 N ATOM 0 H HIS A 17 -5.444 -3.682 8.535 1.00 21.21 H new ATOM 0 HA HIS A 17 -7.010 -6.174 8.792 1.00 1.23 H new ATOM 0 HB2 HIS A 17 -6.208 -3.935 10.697 1.00 4.23 H new ATOM 0 HB3 HIS A 17 -7.283 -5.242 11.152 1.00 4.23 H new ATOM 0 HD2 HIS A 17 -5.985 -7.574 11.931 1.00 53.13 H new ATOM 0 HE1 HIS A 17 -2.094 -6.533 10.611 1.00 2.43 H new ATOM 0 HE2 HIS A 17 -3.473 -8.270 11.846 1.00 55.52 H new ATOM 264 N LEU A 18 -8.589 -4.152 7.484 1.00 24.02 N ATOM 265 CA LEU A 18 -9.954 -3.873 6.955 1.00 74.43 C ATOM 266 C LEU A 18 -10.949 -5.016 7.291 1.00 12.52 C ATOM 267 O LEU A 18 -10.548 -6.168 7.499 1.00 50.41 O ATOM 268 CB LEU A 18 -9.904 -3.686 5.386 1.00 44.44 C ATOM 269 CG LEU A 18 -9.756 -2.230 4.841 1.00 24.34 C ATOM 270 CD1 LEU A 18 -9.761 -2.206 3.291 1.00 5.21 C ATOM 271 CD2 LEU A 18 -10.847 -1.320 5.404 1.00 53.35 C ATOM 0 H LEU A 18 -7.858 -4.050 6.780 1.00 24.02 H new ATOM 0 HA LEU A 18 -10.302 -2.958 7.434 1.00 74.43 H new ATOM 0 HB2 LEU A 18 -9.071 -4.276 5.003 1.00 44.44 H new ATOM 0 HB3 LEU A 18 -10.816 -4.112 4.967 1.00 44.44 H new ATOM 0 HG LEU A 18 -8.792 -1.848 5.176 1.00 24.34 H new ATOM 0 HD11 LEU A 18 -9.656 -1.178 2.943 1.00 5.21 H new ATOM 0 HD12 LEU A 18 -8.930 -2.803 2.915 1.00 5.21 H new ATOM 0 HD13 LEU A 18 -10.700 -2.620 2.924 1.00 5.21 H new ATOM 0 HD21 LEU A 18 -10.720 -0.312 5.008 1.00 53.35 H new ATOM 0 HD22 LEU A 18 -11.826 -1.703 5.115 1.00 53.35 H new ATOM 0 HD23 LEU A 18 -10.774 -1.295 6.491 1.00 53.35 H new ATOM 283 N SER A 19 -12.246 -4.687 7.325 1.00 72.42 N ATOM 284 CA SER A 19 -13.317 -5.702 7.361 1.00 55.34 C ATOM 285 C SER A 19 -13.460 -6.322 5.951 1.00 34.10 C ATOM 286 O SER A 19 -14.388 -6.013 5.211 1.00 43.20 O ATOM 287 CB SER A 19 -14.651 -5.074 7.840 1.00 44.23 C ATOM 288 OG SER A 19 -15.714 -6.018 7.838 1.00 52.02 O ATOM 0 H SER A 19 -12.584 -3.725 7.328 1.00 72.42 H new ATOM 0 HA SER A 19 -13.059 -6.487 8.072 1.00 55.34 H new ATOM 0 HB2 SER A 19 -14.523 -4.674 8.846 1.00 44.23 H new ATOM 0 HB3 SER A 19 -14.910 -4.235 7.194 1.00 44.23 H new ATOM 0 HG SER A 19 -16.537 -5.585 8.147 1.00 52.02 H new ATOM 294 N GLY A 20 -12.485 -7.176 5.593 1.00 3.34 N ATOM 295 CA GLY A 20 -12.360 -7.715 4.235 1.00 72.03 C ATOM 296 C GLY A 20 -13.605 -8.472 3.733 1.00 32.30 C ATOM 297 O GLY A 20 -14.004 -9.469 4.354 1.00 13.34 O ATOM 0 H GLY A 20 -11.767 -7.508 6.236 1.00 3.34 H new ATOM 0 HA2 GLY A 20 -12.148 -6.894 3.550 1.00 72.03 H new ATOM 0 HA3 GLY A 20 -11.503 -8.388 4.202 1.00 72.03 H new ATOM 301 N PRO A 21 -14.259 -8.019 2.614 1.00 62.14 N ATOM 302 CA PRO A 21 -15.410 -8.736 2.009 1.00 2.32 C ATOM 303 C PRO A 21 -14.974 -9.850 1.014 1.00 20.13 C ATOM 304 O PRO A 21 -15.714 -10.179 0.075 1.00 54.44 O ATOM 305 CB PRO A 21 -16.159 -7.579 1.306 1.00 51.41 C ATOM 306 CG PRO A 21 -15.062 -6.671 0.823 1.00 71.42 C ATOM 307 CD PRO A 21 -13.955 -6.755 1.869 1.00 73.34 C ATOM 0 HA PRO A 21 -16.014 -9.280 2.735 1.00 2.32 H new ATOM 0 HB2 PRO A 21 -16.768 -7.943 0.479 1.00 51.41 H new ATOM 0 HB3 PRO A 21 -16.830 -7.063 1.993 1.00 51.41 H new ATOM 0 HG2 PRO A 21 -14.699 -6.985 -0.156 1.00 71.42 H new ATOM 0 HG3 PRO A 21 -15.421 -5.647 0.717 1.00 71.42 H new ATOM 0 HD2 PRO A 21 -12.969 -6.792 1.405 1.00 73.34 H new ATOM 0 HD3 PRO A 21 -13.964 -5.889 2.531 1.00 73.34 H new ATOM 315 N GLY A 22 -13.789 -10.455 1.254 1.00 64.52 N ATOM 316 CA GLY A 22 -13.191 -11.432 0.333 1.00 33.44 C ATOM 317 C GLY A 22 -12.436 -10.762 -0.822 1.00 25.52 C ATOM 318 O GLY A 22 -11.233 -10.968 -1.001 1.00 51.43 O ATOM 0 H GLY A 22 -13.228 -10.278 2.087 1.00 64.52 H new ATOM 0 HA2 GLY A 22 -12.507 -12.076 0.885 1.00 33.44 H new ATOM 0 HA3 GLY A 22 -13.975 -12.072 -0.072 1.00 33.44 H new ATOM 322 N GLY A 23 -13.163 -9.951 -1.606 1.00 55.42 N ATOM 323 CA GLY A 23 -12.593 -9.228 -2.746 1.00 23.03 C ATOM 324 C GLY A 23 -13.637 -8.904 -3.825 1.00 21.22 C ATOM 325 O GLY A 23 -14.794 -9.333 -3.710 1.00 13.31 O ATOM 0 H GLY A 23 -14.159 -9.780 -1.466 1.00 55.42 H new ATOM 0 HA2 GLY A 23 -12.141 -8.301 -2.394 1.00 23.03 H new ATOM 0 HA3 GLY A 23 -11.794 -9.825 -3.187 1.00 23.03 H new ATOM 329 N PRO A 24 -13.271 -8.135 -4.898 1.00 63.24 N ATOM 330 CA PRO A 24 -11.935 -7.499 -5.061 1.00 52.33 C ATOM 331 C PRO A 24 -11.836 -6.083 -4.417 1.00 72.35 C ATOM 332 O PRO A 24 -12.821 -5.344 -4.348 1.00 44.23 O ATOM 333 CB PRO A 24 -11.801 -7.437 -6.598 1.00 52.24 C ATOM 334 CG PRO A 24 -13.207 -7.194 -7.083 1.00 33.54 C ATOM 335 CD PRO A 24 -14.139 -7.873 -6.080 1.00 4.52 C ATOM 0 HA PRO A 24 -11.142 -8.053 -4.559 1.00 52.33 H new ATOM 0 HB2 PRO A 24 -11.129 -6.636 -6.907 1.00 52.24 H new ATOM 0 HB3 PRO A 24 -11.396 -8.366 -7.000 1.00 52.24 H new ATOM 0 HG2 PRO A 24 -13.416 -6.126 -7.145 1.00 33.54 H new ATOM 0 HG3 PRO A 24 -13.348 -7.605 -8.083 1.00 33.54 H new ATOM 0 HD2 PRO A 24 -14.982 -7.232 -5.822 1.00 4.52 H new ATOM 0 HD3 PRO A 24 -14.553 -8.797 -6.483 1.00 4.52 H new ATOM 343 N VAL A 25 -10.635 -5.728 -3.927 1.00 23.30 N ATOM 344 CA VAL A 25 -10.341 -4.372 -3.396 1.00 14.32 C ATOM 345 C VAL A 25 -9.290 -3.674 -4.298 1.00 15.15 C ATOM 346 O VAL A 25 -8.296 -4.286 -4.695 1.00 22.35 O ATOM 347 CB VAL A 25 -9.842 -4.434 -1.905 1.00 31.12 C ATOM 348 CG1 VAL A 25 -9.469 -3.027 -1.358 1.00 62.30 C ATOM 349 CG2 VAL A 25 -10.902 -5.122 -0.996 1.00 51.41 C ATOM 0 H VAL A 25 -9.840 -6.365 -3.885 1.00 23.30 H new ATOM 0 HA VAL A 25 -11.263 -3.791 -3.406 1.00 14.32 H new ATOM 0 HB VAL A 25 -8.933 -5.036 -1.891 1.00 31.12 H new ATOM 0 HG11 VAL A 25 -9.130 -3.116 -0.326 1.00 62.30 H new ATOM 0 HG12 VAL A 25 -8.672 -2.600 -1.966 1.00 62.30 H new ATOM 0 HG13 VAL A 25 -10.344 -2.378 -1.398 1.00 62.30 H new ATOM 0 HG21 VAL A 25 -10.536 -5.154 0.030 1.00 51.41 H new ATOM 0 HG22 VAL A 25 -11.833 -4.557 -1.031 1.00 51.41 H new ATOM 0 HG23 VAL A 25 -11.080 -6.138 -1.349 1.00 51.41 H new ATOM 359 N ARG A 26 -9.522 -2.386 -4.600 1.00 21.33 N ATOM 360 CA ARG A 26 -8.693 -1.600 -5.540 1.00 40.11 C ATOM 361 C ARG A 26 -7.670 -0.743 -4.773 1.00 61.14 C ATOM 362 O ARG A 26 -8.031 -0.010 -3.868 1.00 71.44 O ATOM 363 CB ARG A 26 -9.620 -0.677 -6.383 1.00 63.01 C ATOM 364 CG ARG A 26 -10.703 -1.437 -7.185 1.00 74.22 C ATOM 365 CD ARG A 26 -11.636 -0.507 -7.988 1.00 70.21 C ATOM 366 NE ARG A 26 -12.449 0.397 -7.141 1.00 30.31 N ATOM 367 CZ ARG A 26 -13.546 1.019 -7.536 1.00 14.44 C ATOM 368 NH1 ARG A 26 -14.003 0.879 -8.738 1.00 52.13 N ATOM 369 NH2 ARG A 26 -14.187 1.776 -6.713 1.00 43.22 N ATOM 0 H ARG A 26 -10.294 -1.854 -4.198 1.00 21.33 H new ATOM 0 HA ARG A 26 -8.150 -2.283 -6.194 1.00 40.11 H new ATOM 0 HB2 ARG A 26 -10.108 0.036 -5.718 1.00 63.01 H new ATOM 0 HB3 ARG A 26 -9.008 -0.099 -7.076 1.00 63.01 H new ATOM 0 HG2 ARG A 26 -10.217 -2.131 -7.870 1.00 74.22 H new ATOM 0 HG3 ARG A 26 -11.302 -2.034 -6.497 1.00 74.22 H new ATOM 0 HD2 ARG A 26 -11.036 0.093 -8.672 1.00 70.21 H new ATOM 0 HD3 ARG A 26 -12.303 -1.115 -8.599 1.00 70.21 H new ATOM 0 HE ARG A 26 -12.139 0.551 -6.182 1.00 30.31 H new ATOM 0 HH11 ARG A 26 -13.515 0.279 -9.403 1.00 52.13 H new ATOM 0 HH12 ARG A 26 -14.852 1.369 -9.021 1.00 52.13 H new ATOM 0 HH21 ARG A 26 -13.847 1.894 -5.759 1.00 43.22 H new ATOM 0 HH22 ARG A 26 -15.034 2.257 -7.016 1.00 43.22 H new ATOM 383 N TRP A 27 -6.392 -0.843 -5.149 1.00 23.14 N ATOM 384 CA TRP A 27 -5.305 -0.015 -4.574 1.00 63.44 C ATOM 385 C TRP A 27 -4.968 1.162 -5.502 1.00 42.13 C ATOM 386 O TRP A 27 -5.004 1.006 -6.717 1.00 13.45 O ATOM 387 CB TRP A 27 -4.047 -0.887 -4.343 1.00 41.20 C ATOM 388 CG TRP A 27 -4.143 -1.784 -3.138 1.00 74.23 C ATOM 389 CD1 TRP A 27 -4.644 -3.056 -3.068 1.00 40.20 C ATOM 390 CD2 TRP A 27 -3.727 -1.441 -1.817 1.00 53.23 C ATOM 391 NE1 TRP A 27 -4.525 -3.533 -1.787 1.00 13.10 N ATOM 392 CE2 TRP A 27 -3.975 -2.552 -1.001 1.00 74.12 C ATOM 393 CE3 TRP A 27 -3.163 -0.291 -1.250 1.00 45.10 C ATOM 394 CZ2 TRP A 27 -3.665 -2.558 0.350 1.00 73.21 C ATOM 395 CZ3 TRP A 27 -2.862 -0.295 0.094 1.00 12.04 C ATOM 396 CH2 TRP A 27 -3.116 -1.422 0.882 1.00 32.34 C ATOM 0 H TRP A 27 -6.072 -1.499 -5.861 1.00 23.14 H new ATOM 0 HA TRP A 27 -5.643 0.388 -3.619 1.00 63.44 H new ATOM 0 HB2 TRP A 27 -3.874 -1.500 -5.228 1.00 41.20 H new ATOM 0 HB3 TRP A 27 -3.180 -0.236 -4.231 1.00 41.20 H new ATOM 0 HD1 TRP A 27 -5.069 -3.602 -3.897 1.00 40.20 H new ATOM 0 HE1 TRP A 27 -4.800 -4.463 -1.471 1.00 13.10 H new ATOM 0 HE3 TRP A 27 -2.968 0.582 -1.855 1.00 45.10 H new ATOM 0 HZ2 TRP A 27 -3.850 -3.429 0.962 1.00 73.21 H new ATOM 0 HZ3 TRP A 27 -2.424 0.583 0.545 1.00 12.04 H new ATOM 0 HH2 TRP A 27 -2.874 -1.396 1.934 1.00 32.34 H new ATOM 407 N TYR A 28 -4.644 2.338 -4.918 1.00 5.25 N ATOM 408 CA TYR A 28 -4.236 3.549 -5.683 1.00 31.51 C ATOM 409 C TYR A 28 -2.998 4.226 -5.024 1.00 72.02 C ATOM 410 O TYR A 28 -3.033 4.565 -3.856 1.00 71.15 O ATOM 411 CB TYR A 28 -5.416 4.571 -5.749 1.00 4.55 C ATOM 412 CG TYR A 28 -6.690 4.051 -6.444 1.00 62.52 C ATOM 413 CD1 TYR A 28 -6.860 4.162 -7.828 1.00 0.22 C ATOM 414 CD2 TYR A 28 -7.720 3.444 -5.717 1.00 70.22 C ATOM 415 CE1 TYR A 28 -7.998 3.690 -8.452 1.00 1.52 C ATOM 416 CE2 TYR A 28 -8.859 2.973 -6.344 1.00 40.31 C ATOM 417 CZ TYR A 28 -8.992 3.096 -7.707 1.00 1.42 C ATOM 418 OH TYR A 28 -10.127 2.622 -8.333 1.00 33.04 O ATOM 0 H TYR A 28 -4.656 2.479 -3.908 1.00 5.25 H new ATOM 0 HA TYR A 28 -3.971 3.238 -6.693 1.00 31.51 H new ATOM 0 HB2 TYR A 28 -5.672 4.874 -4.734 1.00 4.55 H new ATOM 0 HB3 TYR A 28 -5.074 5.465 -6.271 1.00 4.55 H new ATOM 0 HD1 TYR A 28 -6.086 4.626 -8.421 1.00 0.22 H new ATOM 0 HD2 TYR A 28 -7.624 3.341 -4.646 1.00 70.22 H new ATOM 0 HE1 TYR A 28 -8.108 3.787 -9.522 1.00 1.52 H new ATOM 0 HE2 TYR A 28 -9.643 2.509 -5.764 1.00 40.31 H new ATOM 0 HH TYR A 28 -10.729 2.231 -7.666 1.00 33.04 H new ATOM 428 N LYS A 29 -1.906 4.420 -5.789 1.00 14.01 N ATOM 429 CA LYS A 29 -0.712 5.191 -5.332 1.00 45.40 C ATOM 430 C LYS A 29 -0.510 6.406 -6.244 1.00 0.41 C ATOM 431 O LYS A 29 -0.546 6.265 -7.473 1.00 23.10 O ATOM 432 CB LYS A 29 0.570 4.311 -5.317 1.00 70.43 C ATOM 433 CG LYS A 29 1.898 5.070 -5.004 1.00 73.20 C ATOM 434 CD LYS A 29 1.913 5.795 -3.626 1.00 72.20 C ATOM 435 CE LYS A 29 3.335 6.209 -3.171 1.00 50.42 C ATOM 436 NZ LYS A 29 4.065 7.046 -4.153 1.00 61.32 N ATOM 0 H LYS A 29 -1.817 4.053 -6.737 1.00 14.01 H new ATOM 0 HA LYS A 29 -0.891 5.523 -4.309 1.00 45.40 H new ATOM 0 HB2 LYS A 29 0.440 3.521 -4.577 1.00 70.43 H new ATOM 0 HB3 LYS A 29 0.669 3.826 -6.288 1.00 70.43 H new ATOM 0 HG2 LYS A 29 2.725 4.360 -5.037 1.00 73.20 H new ATOM 0 HG3 LYS A 29 2.077 5.804 -5.790 1.00 73.20 H new ATOM 0 HD2 LYS A 29 1.284 6.683 -3.683 1.00 72.20 H new ATOM 0 HD3 LYS A 29 1.474 5.140 -2.873 1.00 72.20 H new ATOM 0 HE2 LYS A 29 3.259 6.754 -2.230 1.00 50.42 H new ATOM 0 HE3 LYS A 29 3.918 5.309 -2.972 1.00 50.42 H new ATOM 0 HZ1 LYS A 29 5.089 6.936 -4.009 1.00 61.32 H new ATOM 0 HZ2 LYS A 29 3.816 6.746 -5.117 1.00 61.32 H new ATOM 0 HZ3 LYS A 29 3.802 8.044 -4.022 1.00 61.32 H new ATOM 450 N ASP A 30 -0.297 7.589 -5.624 1.00 71.51 N ATOM 451 CA ASP A 30 -0.126 8.876 -6.339 1.00 53.22 C ATOM 452 C ASP A 30 -1.392 9.241 -7.168 1.00 20.34 C ATOM 453 O ASP A 30 -1.318 9.993 -8.146 1.00 43.33 O ATOM 454 CB ASP A 30 1.166 8.855 -7.212 1.00 42.23 C ATOM 455 CG ASP A 30 2.449 8.666 -6.390 1.00 5.04 C ATOM 456 OD1 ASP A 30 2.629 9.377 -5.377 1.00 14.03 O ATOM 457 OD2 ASP A 30 3.274 7.798 -6.738 1.00 52.43 O ATOM 0 H ASP A 30 -0.239 7.679 -4.610 1.00 71.51 H new ATOM 0 HA ASP A 30 -0.004 9.664 -5.596 1.00 53.22 H new ATOM 0 HB2 ASP A 30 1.089 8.051 -7.944 1.00 42.23 H new ATOM 0 HB3 ASP A 30 1.234 9.788 -7.771 1.00 42.23 H new ATOM 462 N GLY A 31 -2.559 8.722 -6.724 1.00 72.51 N ATOM 463 CA GLY A 31 -3.840 8.938 -7.404 1.00 22.54 C ATOM 464 C GLY A 31 -4.161 7.929 -8.516 1.00 1.40 C ATOM 465 O GLY A 31 -5.243 8.008 -9.112 1.00 43.54 O ATOM 0 H GLY A 31 -2.631 8.145 -5.886 1.00 72.51 H new ATOM 0 HA2 GLY A 31 -4.638 8.905 -6.662 1.00 22.54 H new ATOM 0 HA3 GLY A 31 -3.843 9.941 -7.832 1.00 22.54 H new ATOM 469 N GLU A 32 -3.248 6.974 -8.805 1.00 42.42 N ATOM 470 CA GLU A 32 -3.453 5.979 -9.891 1.00 71.41 C ATOM 471 C GLU A 32 -3.319 4.537 -9.364 1.00 53.40 C ATOM 472 O GLU A 32 -2.478 4.263 -8.521 1.00 72.40 O ATOM 473 CB GLU A 32 -2.459 6.202 -11.063 1.00 11.44 C ATOM 474 CG GLU A 32 -2.840 5.417 -12.338 1.00 71.52 C ATOM 475 CD GLU A 32 -1.805 5.521 -13.462 1.00 62.21 C ATOM 476 OE1 GLU A 32 -0.827 4.754 -13.439 1.00 53.24 O ATOM 477 OE2 GLU A 32 -1.977 6.343 -14.385 1.00 14.35 O ATOM 0 H GLU A 32 -2.365 6.869 -8.306 1.00 42.42 H new ATOM 0 HA GLU A 32 -4.467 6.123 -10.263 1.00 71.41 H new ATOM 0 HB2 GLU A 32 -2.416 7.266 -11.298 1.00 11.44 H new ATOM 0 HB3 GLU A 32 -1.460 5.905 -10.746 1.00 11.44 H new ATOM 0 HG2 GLU A 32 -2.977 4.367 -12.079 1.00 71.52 H new ATOM 0 HG3 GLU A 32 -3.799 5.783 -12.705 1.00 71.52 H new ATOM 484 N ARG A 33 -4.134 3.619 -9.916 1.00 33.30 N ATOM 485 CA ARG A 33 -4.254 2.226 -9.420 1.00 73.30 C ATOM 486 C ARG A 33 -2.959 1.379 -9.588 1.00 3.21 C ATOM 487 O ARG A 33 -2.152 1.625 -10.488 1.00 23.53 O ATOM 488 CB ARG A 33 -5.462 1.499 -10.089 1.00 41.10 C ATOM 489 CG ARG A 33 -5.237 0.999 -11.539 1.00 73.41 C ATOM 490 CD ARG A 33 -5.127 2.126 -12.589 1.00 71.44 C ATOM 491 NE ARG A 33 -5.005 1.594 -13.965 1.00 43.03 N ATOM 492 CZ ARG A 33 -4.152 2.002 -14.881 1.00 41.31 C ATOM 493 NH1 ARG A 33 -3.224 2.870 -14.614 1.00 52.12 N ATOM 494 NH2 ARG A 33 -4.216 1.504 -16.066 1.00 2.21 N ATOM 0 H ARG A 33 -4.730 3.818 -10.719 1.00 33.30 H new ATOM 0 HA ARG A 33 -4.425 2.314 -8.347 1.00 73.30 H new ATOM 0 HB2 ARG A 33 -5.734 0.645 -9.470 1.00 41.10 H new ATOM 0 HB3 ARG A 33 -6.315 2.178 -10.088 1.00 41.10 H new ATOM 0 HG2 ARG A 33 -4.326 0.401 -11.568 1.00 73.41 H new ATOM 0 HG3 ARG A 33 -6.060 0.340 -11.815 1.00 73.41 H new ATOM 0 HD2 ARG A 33 -6.006 2.768 -12.525 1.00 71.44 H new ATOM 0 HD3 ARG A 33 -4.261 2.748 -12.363 1.00 71.44 H new ATOM 0 HE ARG A 33 -5.641 0.841 -14.228 1.00 43.03 H new ATOM 0 HH11 ARG A 33 -3.141 3.255 -13.673 1.00 52.12 H new ATOM 0 HH12 ARG A 33 -2.578 3.167 -15.345 1.00 52.12 H new ATOM 0 HH21 ARG A 33 -4.922 0.802 -16.287 1.00 2.21 H new ATOM 0 HH22 ARG A 33 -3.561 1.812 -16.785 1.00 2.21 H new ATOM 508 N LEU A 34 -2.788 0.371 -8.699 1.00 55.30 N ATOM 509 CA LEU A 34 -1.641 -0.578 -8.732 1.00 32.51 C ATOM 510 C LEU A 34 -1.949 -1.804 -9.621 1.00 45.34 C ATOM 511 O LEU A 34 -3.113 -2.107 -9.918 1.00 41.33 O ATOM 512 CB LEU A 34 -1.254 -1.051 -7.288 1.00 13.41 C ATOM 513 CG LEU A 34 -0.491 -0.026 -6.385 1.00 31.33 C ATOM 514 CD1 LEU A 34 0.834 0.415 -7.030 1.00 2.33 C ATOM 515 CD2 LEU A 34 -1.364 1.180 -6.043 1.00 11.51 C ATOM 0 H LEU A 34 -3.441 0.190 -7.936 1.00 55.30 H new ATOM 0 HA LEU A 34 -0.795 -0.042 -9.163 1.00 32.51 H new ATOM 0 HB2 LEU A 34 -2.168 -1.343 -6.771 1.00 13.41 H new ATOM 0 HB3 LEU A 34 -0.639 -1.946 -7.378 1.00 13.41 H new ATOM 0 HG LEU A 34 -0.252 -0.535 -5.451 1.00 31.33 H new ATOM 0 HD11 LEU A 34 1.338 1.127 -6.376 1.00 2.33 H new ATOM 0 HD12 LEU A 34 1.473 -0.455 -7.180 1.00 2.33 H new ATOM 0 HD13 LEU A 34 0.631 0.886 -7.992 1.00 2.33 H new ATOM 0 HD21 LEU A 34 -0.801 1.870 -5.415 1.00 11.51 H new ATOM 0 HD22 LEU A 34 -1.662 1.686 -6.961 1.00 11.51 H new ATOM 0 HD23 LEU A 34 -2.253 0.846 -5.508 1.00 11.51 H new ATOM 527 N ALA A 35 -0.878 -2.510 -10.015 1.00 12.30 N ATOM 528 CA ALA A 35 -0.946 -3.692 -10.895 1.00 13.34 C ATOM 529 C ALA A 35 0.137 -4.722 -10.490 1.00 1.34 C ATOM 530 O ALA A 35 1.330 -4.494 -10.712 1.00 11.22 O ATOM 531 CB ALA A 35 -0.783 -3.253 -12.361 1.00 1.52 C ATOM 0 H ALA A 35 0.072 -2.275 -9.729 1.00 12.30 H new ATOM 0 HA ALA A 35 -1.918 -4.173 -10.787 1.00 13.34 H new ATOM 0 HB1 ALA A 35 -0.833 -4.127 -13.010 1.00 1.52 H new ATOM 0 HB2 ALA A 35 -1.581 -2.559 -12.624 1.00 1.52 H new ATOM 0 HB3 ALA A 35 0.181 -2.761 -12.489 1.00 1.52 H new ATOM 537 N SER A 36 -0.301 -5.840 -9.873 1.00 2.03 N ATOM 538 CA SER A 36 0.600 -6.895 -9.342 1.00 64.12 C ATOM 539 C SER A 36 1.365 -7.632 -10.466 1.00 75.11 C ATOM 540 O SER A 36 0.862 -8.606 -11.041 1.00 71.53 O ATOM 541 CB SER A 36 -0.198 -7.903 -8.475 1.00 34.44 C ATOM 542 OG SER A 36 -1.287 -8.479 -9.186 1.00 2.25 O ATOM 0 H SER A 36 -1.290 -6.040 -9.727 1.00 2.03 H new ATOM 0 HA SER A 36 1.344 -6.400 -8.718 1.00 64.12 H new ATOM 0 HB2 SER A 36 0.470 -8.694 -8.133 1.00 34.44 H new ATOM 0 HB3 SER A 36 -0.574 -7.397 -7.586 1.00 34.44 H new ATOM 0 HG SER A 36 -0.994 -8.728 -10.087 1.00 2.25 H new ATOM 548 N GLN A 37 2.576 -7.138 -10.795 1.00 25.44 N ATOM 549 CA GLN A 37 3.433 -7.721 -11.864 1.00 40.22 C ATOM 550 C GLN A 37 4.931 -7.732 -11.439 1.00 3.13 C ATOM 551 O GLN A 37 5.480 -8.792 -11.102 1.00 52.15 O ATOM 552 CB GLN A 37 3.233 -6.942 -13.208 1.00 73.51 C ATOM 553 CG GLN A 37 1.822 -7.078 -13.832 1.00 53.40 C ATOM 554 CD GLN A 37 1.634 -6.269 -15.113 1.00 65.22 C ATOM 555 OE1 GLN A 37 1.892 -6.749 -16.209 1.00 51.35 O ATOM 556 NE2 GLN A 37 1.190 -5.030 -14.989 1.00 5.50 N ATOM 0 H GLN A 37 2.991 -6.328 -10.334 1.00 25.44 H new ATOM 0 HA GLN A 37 3.129 -8.756 -12.020 1.00 40.22 H new ATOM 0 HB2 GLN A 37 3.438 -5.886 -13.034 1.00 73.51 H new ATOM 0 HB3 GLN A 37 3.970 -7.295 -13.930 1.00 73.51 H new ATOM 0 HG2 GLN A 37 1.629 -8.129 -14.046 1.00 53.40 H new ATOM 0 HG3 GLN A 37 1.079 -6.760 -13.100 1.00 53.40 H new ATOM 0 HE21 GLN A 37 0.982 -4.653 -14.064 1.00 5.50 H new ATOM 0 HE22 GLN A 37 1.055 -4.451 -15.818 1.00 5.50 H new ATOM 565 N GLY A 38 5.573 -6.543 -11.430 1.00 3.53 N ATOM 566 CA GLY A 38 7.006 -6.413 -11.098 1.00 41.52 C ATOM 567 C GLY A 38 7.253 -6.055 -9.633 1.00 2.35 C ATOM 568 O GLY A 38 7.296 -6.943 -8.771 1.00 12.12 O ATOM 0 H GLY A 38 5.118 -5.657 -11.650 1.00 3.53 H new ATOM 0 HA2 GLY A 38 7.512 -7.351 -11.327 1.00 41.52 H new ATOM 0 HA3 GLY A 38 7.452 -5.647 -11.733 1.00 41.52 H new ATOM 572 N ARG A 39 7.401 -4.742 -9.346 1.00 3.24 N ATOM 573 CA ARG A 39 7.649 -4.250 -7.966 1.00 63.34 C ATOM 574 C ARG A 39 6.396 -4.415 -7.071 1.00 33.35 C ATOM 575 O ARG A 39 6.511 -4.649 -5.868 1.00 30.34 O ATOM 576 CB ARG A 39 8.115 -2.761 -7.973 1.00 54.12 C ATOM 577 CG ARG A 39 7.052 -1.723 -8.416 1.00 43.10 C ATOM 578 CD ARG A 39 7.555 -0.269 -8.316 1.00 62.30 C ATOM 579 NE ARG A 39 6.483 0.714 -8.587 1.00 32.00 N ATOM 580 CZ ARG A 39 6.648 2.021 -8.685 1.00 3.24 C ATOM 581 NH1 ARG A 39 7.828 2.557 -8.658 1.00 61.24 N ATOM 582 NH2 ARG A 39 5.619 2.786 -8.842 1.00 13.22 N ATOM 0 H ARG A 39 7.354 -4.003 -10.048 1.00 3.24 H new ATOM 0 HA ARG A 39 8.449 -4.860 -7.546 1.00 63.34 H new ATOM 0 HB2 ARG A 39 8.453 -2.501 -6.970 1.00 54.12 H new ATOM 0 HB3 ARG A 39 8.978 -2.673 -8.633 1.00 54.12 H new ATOM 0 HG2 ARG A 39 6.756 -1.930 -9.444 1.00 43.10 H new ATOM 0 HG3 ARG A 39 6.161 -1.837 -7.799 1.00 43.10 H new ATOM 0 HD2 ARG A 39 7.962 -0.095 -7.320 1.00 62.30 H new ATOM 0 HD3 ARG A 39 8.370 -0.119 -9.024 1.00 62.30 H new ATOM 0 HE ARG A 39 5.537 0.352 -8.708 1.00 32.00 H new ATOM 0 HH11 ARG A 39 8.654 1.967 -8.559 1.00 61.24 H new ATOM 0 HH12 ARG A 39 7.930 3.569 -8.735 1.00 61.24 H new ATOM 0 HH21 ARG A 39 4.684 2.380 -8.890 1.00 13.22 H new ATOM 0 HH22 ARG A 39 5.741 3.796 -8.918 1.00 13.22 H new ATOM 596 N VAL A 40 5.207 -4.296 -7.683 1.00 65.42 N ATOM 597 CA VAL A 40 3.917 -4.420 -6.982 1.00 32.50 C ATOM 598 C VAL A 40 3.537 -5.903 -6.810 1.00 12.02 C ATOM 599 O VAL A 40 3.413 -6.642 -7.790 1.00 0.52 O ATOM 600 CB VAL A 40 2.794 -3.656 -7.762 1.00 52.22 C ATOM 601 CG1 VAL A 40 1.406 -3.807 -7.090 1.00 22.42 C ATOM 602 CG2 VAL A 40 3.186 -2.170 -7.926 1.00 65.02 C ATOM 0 H VAL A 40 5.112 -4.110 -8.681 1.00 65.42 H new ATOM 0 HA VAL A 40 4.018 -3.972 -5.993 1.00 32.50 H new ATOM 0 HB VAL A 40 2.704 -4.106 -8.751 1.00 52.22 H new ATOM 0 HG11 VAL A 40 0.661 -3.260 -7.667 1.00 22.42 H new ATOM 0 HG12 VAL A 40 1.133 -4.862 -7.052 1.00 22.42 H new ATOM 0 HG13 VAL A 40 1.446 -3.406 -6.077 1.00 22.42 H new ATOM 0 HG21 VAL A 40 2.401 -1.644 -8.469 1.00 65.02 H new ATOM 0 HG22 VAL A 40 3.313 -1.717 -6.943 1.00 65.02 H new ATOM 0 HG23 VAL A 40 4.121 -2.100 -8.482 1.00 65.02 H new ATOM 612 N GLN A 41 3.379 -6.326 -5.549 1.00 21.05 N ATOM 613 CA GLN A 41 3.021 -7.707 -5.181 1.00 62.42 C ATOM 614 C GLN A 41 1.774 -7.688 -4.269 1.00 64.23 C ATOM 615 O GLN A 41 1.876 -7.439 -3.063 1.00 74.25 O ATOM 616 CB GLN A 41 4.226 -8.389 -4.471 1.00 33.44 C ATOM 617 CG GLN A 41 5.532 -8.415 -5.306 1.00 21.43 C ATOM 618 CD GLN A 41 6.730 -9.027 -4.575 1.00 4.43 C ATOM 619 OE1 GLN A 41 6.577 -9.899 -3.729 1.00 34.40 O ATOM 620 NE2 GLN A 41 7.930 -8.590 -4.907 1.00 42.14 N ATOM 0 H GLN A 41 3.497 -5.712 -4.743 1.00 21.05 H new ATOM 0 HA GLN A 41 2.785 -8.282 -6.077 1.00 62.42 H new ATOM 0 HB2 GLN A 41 4.420 -7.870 -3.532 1.00 33.44 H new ATOM 0 HB3 GLN A 41 3.951 -9.413 -4.218 1.00 33.44 H new ATOM 0 HG2 GLN A 41 5.353 -8.977 -6.222 1.00 21.43 H new ATOM 0 HG3 GLN A 41 5.782 -7.396 -5.601 1.00 21.43 H new ATOM 0 HE21 GLN A 41 8.030 -7.863 -5.615 1.00 42.14 H new ATOM 0 HE22 GLN A 41 8.758 -8.980 -4.456 1.00 42.14 H new ATOM 629 N LEU A 42 0.589 -7.902 -4.863 1.00 25.33 N ATOM 630 CA LEU A 42 -0.697 -7.886 -4.126 1.00 20.42 C ATOM 631 C LEU A 42 -1.013 -9.254 -3.483 1.00 54.23 C ATOM 632 O LEU A 42 -0.584 -10.307 -3.970 1.00 14.32 O ATOM 633 CB LEU A 42 -1.854 -7.450 -5.073 1.00 55.04 C ATOM 634 CG LEU A 42 -1.813 -5.952 -5.524 1.00 35.45 C ATOM 635 CD1 LEU A 42 -2.891 -5.635 -6.584 1.00 25.23 C ATOM 636 CD2 LEU A 42 -1.952 -5.010 -4.310 1.00 44.23 C ATOM 0 H LEU A 42 0.489 -8.090 -5.860 1.00 25.33 H new ATOM 0 HA LEU A 42 -0.603 -7.162 -3.317 1.00 20.42 H new ATOM 0 HB2 LEU A 42 -1.833 -8.082 -5.961 1.00 55.04 H new ATOM 0 HB3 LEU A 42 -2.803 -7.637 -4.571 1.00 55.04 H new ATOM 0 HG LEU A 42 -0.841 -5.783 -5.988 1.00 35.45 H new ATOM 0 HD11 LEU A 42 -2.825 -4.584 -6.867 1.00 25.23 H new ATOM 0 HD12 LEU A 42 -2.731 -6.259 -7.464 1.00 25.23 H new ATOM 0 HD13 LEU A 42 -3.879 -5.838 -6.170 1.00 25.23 H new ATOM 0 HD21 LEU A 42 -1.921 -3.974 -4.648 1.00 44.23 H new ATOM 0 HD22 LEU A 42 -2.901 -5.200 -3.809 1.00 44.23 H new ATOM 0 HD23 LEU A 42 -1.132 -5.190 -3.614 1.00 44.23 H new ATOM 648 N GLU A 43 -1.776 -9.207 -2.383 1.00 71.14 N ATOM 649 CA GLU A 43 -2.235 -10.395 -1.634 1.00 25.44 C ATOM 650 C GLU A 43 -3.708 -10.160 -1.234 1.00 52.43 C ATOM 651 O GLU A 43 -3.994 -9.337 -0.357 1.00 12.04 O ATOM 652 CB GLU A 43 -1.317 -10.612 -0.386 1.00 40.23 C ATOM 653 CG GLU A 43 -1.418 -11.981 0.331 1.00 51.05 C ATOM 654 CD GLU A 43 -2.715 -12.186 1.137 1.00 42.22 C ATOM 655 OE1 GLU A 43 -2.862 -11.567 2.217 1.00 53.33 O ATOM 656 OE2 GLU A 43 -3.589 -12.961 0.697 1.00 62.00 O ATOM 0 H GLU A 43 -2.100 -8.329 -1.978 1.00 71.14 H new ATOM 0 HA GLU A 43 -2.173 -11.298 -2.241 1.00 25.44 H new ATOM 0 HB2 GLU A 43 -0.282 -10.468 -0.697 1.00 40.23 H new ATOM 0 HB3 GLU A 43 -1.543 -9.831 0.341 1.00 40.23 H new ATOM 0 HG2 GLU A 43 -1.339 -12.773 -0.413 1.00 51.05 H new ATOM 0 HG3 GLU A 43 -0.567 -12.089 1.003 1.00 51.05 H new ATOM 663 N GLN A 44 -4.637 -10.857 -1.907 1.00 61.24 N ATOM 664 CA GLN A 44 -6.084 -10.717 -1.640 1.00 41.04 C ATOM 665 C GLN A 44 -6.577 -11.883 -0.759 1.00 54.14 C ATOM 666 O GLN A 44 -6.756 -13.009 -1.241 1.00 30.20 O ATOM 667 CB GLN A 44 -6.872 -10.656 -2.976 1.00 1.22 C ATOM 668 CG GLN A 44 -8.373 -10.326 -2.818 1.00 0.11 C ATOM 669 CD GLN A 44 -9.116 -10.264 -4.154 1.00 72.20 C ATOM 670 OE1 GLN A 44 -9.181 -9.221 -4.793 1.00 34.53 O ATOM 671 NE2 GLN A 44 -9.681 -11.372 -4.588 1.00 23.40 N ATOM 0 H GLN A 44 -4.414 -11.527 -2.644 1.00 61.24 H new ATOM 0 HA GLN A 44 -6.258 -9.786 -1.101 1.00 41.04 H new ATOM 0 HB2 GLN A 44 -6.413 -9.906 -3.620 1.00 1.22 H new ATOM 0 HB3 GLN A 44 -6.775 -11.615 -3.485 1.00 1.22 H new ATOM 0 HG2 GLN A 44 -8.840 -11.079 -2.184 1.00 0.11 H new ATOM 0 HG3 GLN A 44 -8.477 -9.369 -2.306 1.00 0.11 H new ATOM 0 HE21 GLN A 44 -9.613 -12.228 -4.038 1.00 23.40 H new ATOM 0 HE22 GLN A 44 -10.186 -11.374 -5.474 1.00 23.40 H new ATOM 680 N ALA A 45 -6.773 -11.601 0.537 1.00 42.03 N ATOM 681 CA ALA A 45 -7.249 -12.587 1.530 1.00 52.13 C ATOM 682 C ALA A 45 -8.745 -12.369 1.859 1.00 24.13 C ATOM 683 O ALA A 45 -9.391 -11.468 1.303 1.00 51.12 O ATOM 684 CB ALA A 45 -6.376 -12.494 2.798 1.00 72.14 C ATOM 0 H ALA A 45 -6.606 -10.676 0.933 1.00 42.03 H new ATOM 0 HA ALA A 45 -7.158 -13.589 1.111 1.00 52.13 H new ATOM 0 HB1 ALA A 45 -6.724 -13.220 3.533 1.00 72.14 H new ATOM 0 HB2 ALA A 45 -5.338 -12.706 2.542 1.00 72.14 H new ATOM 0 HB3 ALA A 45 -6.448 -11.490 3.217 1.00 72.14 H new ATOM 690 N GLY A 46 -9.287 -13.207 2.768 1.00 12.12 N ATOM 691 CA GLY A 46 -10.687 -13.097 3.200 1.00 33.20 C ATOM 692 C GLY A 46 -10.992 -11.790 3.946 1.00 22.34 C ATOM 693 O GLY A 46 -11.624 -10.891 3.396 1.00 15.32 O ATOM 0 H GLY A 46 -8.772 -13.966 3.214 1.00 12.12 H new ATOM 0 HA2 GLY A 46 -11.336 -13.169 2.327 1.00 33.20 H new ATOM 0 HA3 GLY A 46 -10.928 -13.941 3.847 1.00 33.20 H new ATOM 697 N ALA A 47 -10.505 -11.685 5.194 1.00 52.24 N ATOM 698 CA ALA A 47 -10.692 -10.486 6.056 1.00 73.34 C ATOM 699 C ALA A 47 -9.458 -9.534 6.018 1.00 4.11 C ATOM 700 O ALA A 47 -9.291 -8.685 6.905 1.00 25.04 O ATOM 701 CB ALA A 47 -10.987 -10.942 7.496 1.00 74.40 C ATOM 0 H ALA A 47 -9.968 -12.427 5.643 1.00 52.24 H new ATOM 0 HA ALA A 47 -11.536 -9.915 5.670 1.00 73.34 H new ATOM 0 HB1 ALA A 47 -11.125 -10.068 8.133 1.00 74.40 H new ATOM 0 HB2 ALA A 47 -11.894 -11.547 7.508 1.00 74.40 H new ATOM 0 HB3 ALA A 47 -10.151 -11.534 7.869 1.00 74.40 H new ATOM 707 N ARG A 48 -8.616 -9.657 4.967 1.00 20.24 N ATOM 708 CA ARG A 48 -7.365 -8.861 4.834 1.00 71.45 C ATOM 709 C ARG A 48 -7.015 -8.566 3.357 1.00 73.04 C ATOM 710 O ARG A 48 -7.373 -9.318 2.455 1.00 11.12 O ATOM 711 CB ARG A 48 -6.179 -9.620 5.505 1.00 62.32 C ATOM 712 CG ARG A 48 -4.817 -8.872 5.497 1.00 1.42 C ATOM 713 CD ARG A 48 -3.664 -9.701 6.078 1.00 63.52 C ATOM 714 NE ARG A 48 -3.331 -10.860 5.233 1.00 22.11 N ATOM 715 CZ ARG A 48 -2.817 -11.989 5.654 1.00 4.13 C ATOM 716 NH1 ARG A 48 -2.581 -12.197 6.915 1.00 53.22 N ATOM 717 NH2 ARG A 48 -2.529 -12.905 4.801 1.00 32.02 N ATOM 0 H ARG A 48 -8.777 -10.302 4.193 1.00 20.24 H new ATOM 0 HA ARG A 48 -7.533 -7.907 5.334 1.00 71.45 H new ATOM 0 HB2 ARG A 48 -6.448 -9.838 6.539 1.00 62.32 H new ATOM 0 HB3 ARG A 48 -6.051 -10.578 5.000 1.00 62.32 H new ATOM 0 HG2 ARG A 48 -4.572 -8.590 4.473 1.00 1.42 H new ATOM 0 HG3 ARG A 48 -4.915 -7.949 6.068 1.00 1.42 H new ATOM 0 HD2 ARG A 48 -2.783 -9.068 6.187 1.00 63.52 H new ATOM 0 HD3 ARG A 48 -3.934 -10.047 7.076 1.00 63.52 H new ATOM 0 HE ARG A 48 -3.517 -10.777 4.234 1.00 22.11 H new ATOM 0 HH11 ARG A 48 -2.797 -11.473 7.600 1.00 53.22 H new ATOM 0 HH12 ARG A 48 -2.180 -13.084 7.219 1.00 53.22 H new ATOM 0 HH21 ARG A 48 -2.701 -12.749 3.808 1.00 32.02 H new ATOM 0 HH22 ARG A 48 -2.128 -13.788 5.117 1.00 32.02 H new ATOM 731 N GLN A 49 -6.327 -7.437 3.137 1.00 41.52 N ATOM 732 CA GLN A 49 -5.613 -7.131 1.876 1.00 44.02 C ATOM 733 C GLN A 49 -4.133 -6.833 2.207 1.00 22.12 C ATOM 734 O GLN A 49 -3.816 -6.473 3.345 1.00 43.50 O ATOM 735 CB GLN A 49 -6.266 -5.916 1.153 1.00 1.20 C ATOM 736 CG GLN A 49 -7.736 -6.140 0.740 1.00 33.21 C ATOM 737 CD GLN A 49 -7.937 -7.291 -0.261 1.00 44.21 C ATOM 738 OE1 GLN A 49 -7.100 -7.543 -1.119 1.00 3.52 O ATOM 739 NE2 GLN A 49 -9.045 -8.009 -0.143 1.00 63.04 N ATOM 0 H GLN A 49 -6.246 -6.697 3.835 1.00 41.52 H new ATOM 0 HA GLN A 49 -5.676 -7.987 1.204 1.00 44.02 H new ATOM 0 HB2 GLN A 49 -6.213 -5.046 1.808 1.00 1.20 H new ATOM 0 HB3 GLN A 49 -5.682 -5.681 0.263 1.00 1.20 H new ATOM 0 HG2 GLN A 49 -8.327 -6.342 1.633 1.00 33.21 H new ATOM 0 HG3 GLN A 49 -8.124 -5.220 0.303 1.00 33.21 H new ATOM 0 HE21 GLN A 49 -9.727 -7.779 0.580 1.00 63.04 H new ATOM 0 HE22 GLN A 49 -9.216 -8.791 -0.775 1.00 63.04 H new ATOM 748 N VAL A 50 -3.220 -7.025 1.237 1.00 45.54 N ATOM 749 CA VAL A 50 -1.792 -6.635 1.385 1.00 45.21 C ATOM 750 C VAL A 50 -1.245 -6.072 0.052 1.00 54.11 C ATOM 751 O VAL A 50 -1.510 -6.610 -1.024 1.00 73.51 O ATOM 752 CB VAL A 50 -0.861 -7.828 1.886 1.00 22.44 C ATOM 753 CG1 VAL A 50 0.638 -7.425 1.908 1.00 52.43 C ATOM 754 CG2 VAL A 50 -1.285 -8.367 3.280 1.00 32.45 C ATOM 0 H VAL A 50 -3.440 -7.449 0.336 1.00 45.54 H new ATOM 0 HA VAL A 50 -1.766 -5.865 2.156 1.00 45.21 H new ATOM 0 HB VAL A 50 -0.993 -8.631 1.161 1.00 22.44 H new ATOM 0 HG11 VAL A 50 1.236 -8.267 2.256 1.00 52.43 H new ATOM 0 HG12 VAL A 50 0.954 -7.145 0.903 1.00 52.43 H new ATOM 0 HG13 VAL A 50 0.777 -6.579 2.581 1.00 52.43 H new ATOM 0 HG21 VAL A 50 -0.619 -9.178 3.575 1.00 32.45 H new ATOM 0 HG22 VAL A 50 -1.225 -7.564 4.014 1.00 32.45 H new ATOM 0 HG23 VAL A 50 -2.309 -8.738 3.231 1.00 32.45 H new ATOM 764 N LEU A 51 -0.485 -4.968 0.143 1.00 53.12 N ATOM 765 CA LEU A 51 0.277 -4.392 -0.987 1.00 64.42 C ATOM 766 C LEU A 51 1.773 -4.371 -0.607 1.00 61.42 C ATOM 767 O LEU A 51 2.164 -3.703 0.352 1.00 64.30 O ATOM 768 CB LEU A 51 -0.302 -2.977 -1.329 1.00 54.15 C ATOM 769 CG LEU A 51 0.412 -2.075 -2.413 1.00 51.13 C ATOM 770 CD1 LEU A 51 1.573 -1.264 -1.820 1.00 11.45 C ATOM 771 CD2 LEU A 51 0.884 -2.888 -3.632 1.00 51.31 C ATOM 0 H LEU A 51 -0.379 -4.442 1.010 1.00 53.12 H new ATOM 0 HA LEU A 51 0.180 -4.994 -1.890 1.00 64.42 H new ATOM 0 HB2 LEU A 51 -1.334 -3.118 -1.652 1.00 54.15 H new ATOM 0 HB3 LEU A 51 -0.333 -2.406 -0.401 1.00 54.15 H new ATOM 0 HG LEU A 51 -0.343 -1.370 -2.759 1.00 51.13 H new ATOM 0 HD11 LEU A 51 2.032 -0.660 -2.603 1.00 11.45 H new ATOM 0 HD12 LEU A 51 1.196 -0.612 -1.032 1.00 11.45 H new ATOM 0 HD13 LEU A 51 2.316 -1.944 -1.403 1.00 11.45 H new ATOM 0 HD21 LEU A 51 1.368 -2.223 -4.348 1.00 51.31 H new ATOM 0 HD22 LEU A 51 1.593 -3.651 -3.309 1.00 51.31 H new ATOM 0 HD23 LEU A 51 0.026 -3.367 -4.104 1.00 51.31 H new ATOM 783 N ARG A 52 2.599 -5.132 -1.346 1.00 10.34 N ATOM 784 CA ARG A 52 4.058 -5.184 -1.136 1.00 62.24 C ATOM 785 C ARG A 52 4.819 -4.461 -2.278 1.00 61.31 C ATOM 786 O ARG A 52 4.841 -4.944 -3.412 1.00 2.15 O ATOM 787 CB ARG A 52 4.546 -6.656 -1.005 1.00 45.22 C ATOM 788 CG ARG A 52 3.988 -7.414 0.222 1.00 33.43 C ATOM 789 CD ARG A 52 4.527 -8.854 0.329 1.00 13.13 C ATOM 790 NE ARG A 52 4.015 -9.568 1.520 1.00 11.23 N ATOM 791 CZ ARG A 52 4.299 -10.815 1.840 1.00 1.23 C ATOM 792 NH1 ARG A 52 5.084 -11.540 1.109 1.00 34.42 N ATOM 793 NH2 ARG A 52 3.789 -11.328 2.910 1.00 53.54 N ATOM 0 H ARG A 52 2.274 -5.729 -2.107 1.00 10.34 H new ATOM 0 HA ARG A 52 4.275 -4.662 -0.204 1.00 62.24 H new ATOM 0 HB2 ARG A 52 4.267 -7.199 -1.908 1.00 45.22 H new ATOM 0 HB3 ARG A 52 5.635 -6.660 -0.954 1.00 45.22 H new ATOM 0 HG2 ARG A 52 4.244 -6.867 1.129 1.00 33.43 H new ATOM 0 HG3 ARG A 52 2.900 -7.441 0.163 1.00 33.43 H new ATOM 0 HD2 ARG A 52 4.252 -9.408 -0.568 1.00 13.13 H new ATOM 0 HD3 ARG A 52 5.616 -8.828 0.366 1.00 13.13 H new ATOM 0 HE ARG A 52 3.392 -9.054 2.143 1.00 11.23 H new ATOM 0 HH11 ARG A 52 5.499 -11.149 0.263 1.00 34.42 H new ATOM 0 HH12 ARG A 52 5.288 -12.502 1.379 1.00 34.42 H new ATOM 0 HH21 ARG A 52 3.172 -10.769 3.500 1.00 53.54 H new ATOM 0 HH22 ARG A 52 4.003 -12.292 3.165 1.00 53.54 H new ATOM 807 N VAL A 53 5.420 -3.291 -1.974 1.00 65.04 N ATOM 808 CA VAL A 53 6.326 -2.586 -2.905 1.00 61.31 C ATOM 809 C VAL A 53 7.779 -3.083 -2.718 1.00 52.43 C ATOM 810 O VAL A 53 8.475 -2.673 -1.783 1.00 45.53 O ATOM 811 CB VAL A 53 6.289 -1.022 -2.717 1.00 45.23 C ATOM 812 CG1 VAL A 53 7.257 -0.302 -3.702 1.00 21.25 C ATOM 813 CG2 VAL A 53 4.855 -0.470 -2.852 1.00 73.41 C ATOM 0 H VAL A 53 5.292 -2.812 -1.083 1.00 65.04 H new ATOM 0 HA VAL A 53 5.975 -2.811 -3.912 1.00 61.31 H new ATOM 0 HB VAL A 53 6.633 -0.814 -1.704 1.00 45.23 H new ATOM 0 HG11 VAL A 53 7.204 0.775 -3.542 1.00 21.25 H new ATOM 0 HG12 VAL A 53 8.277 -0.645 -3.526 1.00 21.25 H new ATOM 0 HG13 VAL A 53 6.969 -0.531 -4.728 1.00 21.25 H new ATOM 0 HG21 VAL A 53 4.867 0.611 -2.717 1.00 73.41 H new ATOM 0 HG22 VAL A 53 4.465 -0.707 -3.842 1.00 73.41 H new ATOM 0 HG23 VAL A 53 4.218 -0.923 -2.093 1.00 73.41 H new ATOM 823 N GLN A 54 8.204 -4.009 -3.582 1.00 34.10 N ATOM 824 CA GLN A 54 9.618 -4.408 -3.698 1.00 42.33 C ATOM 825 C GLN A 54 10.457 -3.229 -4.254 1.00 24.21 C ATOM 826 O GLN A 54 10.119 -2.664 -5.299 1.00 61.22 O ATOM 827 CB GLN A 54 9.734 -5.648 -4.617 1.00 62.34 C ATOM 828 CG GLN A 54 11.171 -6.170 -4.823 1.00 4.11 C ATOM 829 CD GLN A 54 11.228 -7.406 -5.719 1.00 60.50 C ATOM 830 OE1 GLN A 54 11.346 -7.302 -6.933 1.00 20.04 O ATOM 831 NE2 GLN A 54 11.130 -8.582 -5.128 1.00 4.34 N ATOM 0 H GLN A 54 7.583 -4.505 -4.221 1.00 34.10 H new ATOM 0 HA GLN A 54 10.005 -4.668 -2.713 1.00 42.33 H new ATOM 0 HB2 GLN A 54 9.128 -6.451 -4.198 1.00 62.34 H new ATOM 0 HB3 GLN A 54 9.309 -5.402 -5.590 1.00 62.34 H new ATOM 0 HG2 GLN A 54 11.780 -5.380 -5.262 1.00 4.11 H new ATOM 0 HG3 GLN A 54 11.609 -6.409 -3.854 1.00 4.11 H new ATOM 0 HE21 GLN A 54 11.033 -8.637 -4.114 1.00 4.34 H new ATOM 0 HE22 GLN A 54 11.152 -9.436 -5.685 1.00 4.34 H new ATOM 840 N GLY A 55 11.541 -2.871 -3.554 1.00 22.42 N ATOM 841 CA GLY A 55 12.345 -1.689 -3.910 1.00 23.53 C ATOM 842 C GLY A 55 11.799 -0.397 -3.296 1.00 13.12 C ATOM 843 O GLY A 55 11.886 0.677 -3.902 1.00 4.52 O ATOM 0 H GLY A 55 11.883 -3.380 -2.739 1.00 22.42 H new ATOM 0 HA2 GLY A 55 13.372 -1.839 -3.577 1.00 23.53 H new ATOM 0 HA3 GLY A 55 12.374 -1.587 -4.995 1.00 23.53 H new ATOM 847 N ALA A 56 11.227 -0.519 -2.086 1.00 34.33 N ATOM 848 CA ALA A 56 10.704 0.622 -1.306 1.00 12.33 C ATOM 849 C ALA A 56 11.844 1.576 -0.872 1.00 63.32 C ATOM 850 O ALA A 56 12.657 1.204 -0.042 1.00 23.03 O ATOM 851 CB ALA A 56 9.950 0.095 -0.076 1.00 64.20 C ATOM 0 H ALA A 56 11.113 -1.417 -1.616 1.00 34.33 H new ATOM 0 HA ALA A 56 10.021 1.191 -1.937 1.00 12.33 H new ATOM 0 HB1 ALA A 56 9.563 0.935 0.501 1.00 64.20 H new ATOM 0 HB2 ALA A 56 9.122 -0.535 -0.400 1.00 64.20 H new ATOM 0 HB3 ALA A 56 10.629 -0.489 0.545 1.00 64.20 H new ATOM 857 N ARG A 57 11.893 2.798 -1.443 1.00 22.33 N ATOM 858 CA ARG A 57 12.996 3.763 -1.202 1.00 13.41 C ATOM 859 C ARG A 57 12.562 5.183 -1.644 1.00 12.23 C ATOM 860 O ARG A 57 12.153 5.368 -2.788 1.00 12.04 O ATOM 861 CB ARG A 57 14.288 3.268 -1.953 1.00 30.53 C ATOM 862 CG ARG A 57 15.571 4.156 -1.850 1.00 65.15 C ATOM 863 CD ARG A 57 15.689 5.232 -2.969 1.00 12.24 C ATOM 864 NE ARG A 57 15.441 4.672 -4.319 1.00 53.32 N ATOM 865 CZ ARG A 57 16.288 4.658 -5.331 1.00 64.45 C ATOM 866 NH1 ARG A 57 17.497 5.102 -5.216 1.00 51.45 N ATOM 867 NH2 ARG A 57 15.906 4.170 -6.459 1.00 62.30 N ATOM 0 H ARG A 57 11.176 3.145 -2.080 1.00 22.33 H new ATOM 0 HA ARG A 57 13.228 3.818 -0.138 1.00 13.41 H new ATOM 0 HB2 ARG A 57 14.536 2.275 -1.577 1.00 30.53 H new ATOM 0 HB3 ARG A 57 14.041 3.156 -3.009 1.00 30.53 H new ATOM 0 HG2 ARG A 57 15.579 4.653 -0.880 1.00 65.15 H new ATOM 0 HG3 ARG A 57 16.450 3.512 -1.886 1.00 65.15 H new ATOM 0 HD2 ARG A 57 14.977 6.034 -2.775 1.00 12.24 H new ATOM 0 HD3 ARG A 57 16.684 5.675 -2.940 1.00 12.24 H new ATOM 0 HE ARG A 57 14.524 4.256 -4.482 1.00 53.32 H new ATOM 0 HH11 ARG A 57 17.820 5.477 -4.324 1.00 51.45 H new ATOM 0 HH12 ARG A 57 18.128 5.077 -6.017 1.00 51.45 H new ATOM 0 HH21 ARG A 57 14.960 3.801 -6.561 1.00 62.30 H new ATOM 0 HH22 ARG A 57 16.549 4.152 -7.251 1.00 62.30 H new ATOM 881 N SER A 58 12.649 6.163 -0.710 1.00 45.13 N ATOM 882 CA SER A 58 12.350 7.612 -0.945 1.00 54.24 C ATOM 883 C SER A 58 10.918 7.878 -1.509 1.00 12.04 C ATOM 884 O SER A 58 9.994 8.160 -0.737 1.00 23.01 O ATOM 885 CB SER A 58 13.431 8.271 -1.841 1.00 22.02 C ATOM 886 OG SER A 58 14.723 8.170 -1.261 1.00 4.30 O ATOM 0 H SER A 58 12.934 5.972 0.250 1.00 45.13 H new ATOM 0 HA SER A 58 12.376 8.080 0.039 1.00 54.24 H new ATOM 0 HB2 SER A 58 13.433 7.793 -2.821 1.00 22.02 H new ATOM 0 HB3 SER A 58 13.183 9.321 -1.999 1.00 22.02 H new ATOM 0 HG SER A 58 15.381 8.593 -1.851 1.00 4.30 H new ATOM 892 N GLY A 59 10.739 7.741 -2.853 1.00 0.21 N ATOM 893 CA GLY A 59 9.440 8.006 -3.521 1.00 74.02 C ATOM 894 C GLY A 59 8.326 6.989 -3.192 1.00 44.43 C ATOM 895 O GLY A 59 7.167 7.174 -3.587 1.00 64.20 O ATOM 0 H GLY A 59 11.479 7.449 -3.491 1.00 0.21 H new ATOM 0 HA2 GLY A 59 9.099 9.002 -3.239 1.00 74.02 H new ATOM 0 HA3 GLY A 59 9.597 8.016 -4.600 1.00 74.02 H new ATOM 899 N ASP A 60 8.693 5.916 -2.475 1.00 54.34 N ATOM 900 CA ASP A 60 7.735 4.950 -1.890 1.00 44.54 C ATOM 901 C ASP A 60 6.825 5.621 -0.821 1.00 4.32 C ATOM 902 O ASP A 60 5.650 5.258 -0.667 1.00 71.43 O ATOM 903 CB ASP A 60 8.531 3.784 -1.262 1.00 64.31 C ATOM 904 CG ASP A 60 7.652 2.773 -0.506 1.00 41.40 C ATOM 905 OD1 ASP A 60 6.967 1.976 -1.165 1.00 41.05 O ATOM 906 OD2 ASP A 60 7.645 2.786 0.747 1.00 24.11 O ATOM 0 H ASP A 60 9.668 5.688 -2.280 1.00 54.34 H new ATOM 0 HA ASP A 60 7.082 4.578 -2.680 1.00 44.54 H new ATOM 0 HB2 ASP A 60 9.076 3.262 -2.049 1.00 64.31 H new ATOM 0 HB3 ASP A 60 9.274 4.191 -0.576 1.00 64.31 H new ATOM 911 N ALA A 61 7.387 6.611 -0.106 1.00 12.53 N ATOM 912 CA ALA A 61 6.676 7.344 0.953 1.00 2.11 C ATOM 913 C ALA A 61 5.546 8.206 0.372 1.00 32.21 C ATOM 914 O ALA A 61 5.789 9.284 -0.177 1.00 42.41 O ATOM 915 CB ALA A 61 7.655 8.211 1.747 1.00 72.03 C ATOM 0 H ALA A 61 8.347 6.925 -0.247 1.00 12.53 H new ATOM 0 HA ALA A 61 6.227 6.613 1.625 1.00 2.11 H new ATOM 0 HB1 ALA A 61 7.115 8.748 2.527 1.00 72.03 H new ATOM 0 HB2 ALA A 61 8.416 7.577 2.202 1.00 72.03 H new ATOM 0 HB3 ALA A 61 8.132 8.927 1.078 1.00 72.03 H new ATOM 921 N GLY A 62 4.319 7.698 0.479 1.00 12.43 N ATOM 922 CA GLY A 62 3.161 8.364 -0.096 1.00 10.23 C ATOM 923 C GLY A 62 1.842 7.803 0.406 1.00 62.11 C ATOM 924 O GLY A 62 1.818 6.966 1.313 1.00 30.44 O ATOM 0 H GLY A 62 4.105 6.825 0.961 1.00 12.43 H new ATOM 0 HA2 GLY A 62 3.209 9.428 0.136 1.00 10.23 H new ATOM 0 HA3 GLY A 62 3.198 8.273 -1.182 1.00 10.23 H new ATOM 928 N GLU A 63 0.740 8.288 -0.176 1.00 23.31 N ATOM 929 CA GLU A 63 -0.622 7.890 0.207 1.00 5.12 C ATOM 930 C GLU A 63 -1.116 6.729 -0.680 1.00 10.14 C ATOM 931 O GLU A 63 -1.305 6.893 -1.893 1.00 52.32 O ATOM 932 CB GLU A 63 -1.599 9.093 0.096 1.00 51.44 C ATOM 933 CG GLU A 63 -1.326 10.282 1.056 1.00 64.31 C ATOM 934 CD GLU A 63 -0.036 11.074 0.758 1.00 61.03 C ATOM 935 OE1 GLU A 63 0.004 11.800 -0.256 1.00 43.02 O ATOM 936 OE2 GLU A 63 0.947 10.969 1.527 1.00 2.41 O ATOM 0 H GLU A 63 0.767 8.973 -0.932 1.00 23.31 H new ATOM 0 HA GLU A 63 -0.596 7.556 1.244 1.00 5.12 H new ATOM 0 HB2 GLU A 63 -1.571 9.465 -0.928 1.00 51.44 H new ATOM 0 HB3 GLU A 63 -2.611 8.731 0.276 1.00 51.44 H new ATOM 0 HG2 GLU A 63 -2.173 10.966 1.013 1.00 64.31 H new ATOM 0 HG3 GLU A 63 -1.274 9.902 2.076 1.00 64.31 H new ATOM 943 N TYR A 64 -1.298 5.554 -0.066 1.00 1.23 N ATOM 944 CA TYR A 64 -1.862 4.363 -0.738 1.00 24.35 C ATOM 945 C TYR A 64 -3.350 4.196 -0.354 1.00 63.42 C ATOM 946 O TYR A 64 -3.667 3.881 0.786 1.00 70.34 O ATOM 947 CB TYR A 64 -1.068 3.095 -0.345 1.00 30.25 C ATOM 948 CG TYR A 64 0.403 3.090 -0.791 1.00 63.31 C ATOM 949 CD1 TYR A 64 1.380 3.852 -0.131 1.00 0.13 C ATOM 950 CD2 TYR A 64 0.818 2.301 -1.864 1.00 65.52 C ATOM 951 CE1 TYR A 64 2.699 3.819 -0.535 1.00 61.22 C ATOM 952 CE2 TYR A 64 2.136 2.268 -2.263 1.00 60.34 C ATOM 953 CZ TYR A 64 3.072 3.021 -1.593 1.00 33.21 C ATOM 954 OH TYR A 64 4.382 2.990 -1.997 1.00 12.04 O ATOM 0 H TYR A 64 -1.060 5.395 0.913 1.00 1.23 H new ATOM 0 HA TYR A 64 -1.785 4.501 -1.816 1.00 24.35 H new ATOM 0 HB2 TYR A 64 -1.105 2.982 0.739 1.00 30.25 H new ATOM 0 HB3 TYR A 64 -1.566 2.225 -0.773 1.00 30.25 H new ATOM 0 HD1 TYR A 64 1.095 4.473 0.705 1.00 0.13 H new ATOM 0 HD2 TYR A 64 0.090 1.703 -2.393 1.00 65.52 H new ATOM 0 HE1 TYR A 64 3.437 4.418 -0.022 1.00 61.22 H new ATOM 0 HE2 TYR A 64 2.434 1.653 -3.099 1.00 60.34 H new ATOM 0 HH TYR A 64 4.869 3.733 -1.584 1.00 12.04 H new ATOM 964 N LEU A 65 -4.254 4.391 -1.313 1.00 34.45 N ATOM 965 CA LEU A 65 -5.698 4.308 -1.074 1.00 55.15 C ATOM 966 C LEU A 65 -6.202 2.873 -1.354 1.00 24.14 C ATOM 967 O LEU A 65 -6.358 2.471 -2.514 1.00 22.12 O ATOM 968 CB LEU A 65 -6.426 5.337 -1.983 1.00 21.34 C ATOM 969 CG LEU A 65 -7.980 5.414 -1.835 1.00 75.13 C ATOM 970 CD1 LEU A 65 -8.397 5.848 -0.413 1.00 21.21 C ATOM 971 CD2 LEU A 65 -8.596 6.337 -2.911 1.00 44.01 C ATOM 0 H LEU A 65 -4.008 4.611 -2.278 1.00 34.45 H new ATOM 0 HA LEU A 65 -5.912 4.543 -0.031 1.00 55.15 H new ATOM 0 HB2 LEU A 65 -6.014 6.325 -1.780 1.00 21.34 H new ATOM 0 HB3 LEU A 65 -6.192 5.102 -3.021 1.00 21.34 H new ATOM 0 HG LEU A 65 -8.374 4.410 -1.993 1.00 75.13 H new ATOM 0 HD11 LEU A 65 -9.484 5.890 -0.350 1.00 21.21 H new ATOM 0 HD12 LEU A 65 -8.019 5.128 0.313 1.00 21.21 H new ATOM 0 HD13 LEU A 65 -7.983 6.833 -0.197 1.00 21.21 H new ATOM 0 HD21 LEU A 65 -9.678 6.372 -2.784 1.00 44.01 H new ATOM 0 HD22 LEU A 65 -8.186 7.341 -2.807 1.00 44.01 H new ATOM 0 HD23 LEU A 65 -8.359 5.949 -3.902 1.00 44.01 H new ATOM 983 N CYS A 66 -6.398 2.090 -0.271 1.00 62.13 N ATOM 984 CA CYS A 66 -7.074 0.779 -0.341 1.00 72.13 C ATOM 985 C CYS A 66 -8.598 1.010 -0.406 1.00 73.31 C ATOM 986 O CYS A 66 -9.297 1.052 0.613 1.00 23.40 O ATOM 987 CB CYS A 66 -6.692 -0.085 0.881 1.00 11.02 C ATOM 988 SG CYS A 66 -7.268 -1.796 0.814 1.00 73.41 S ATOM 0 H CYS A 66 -6.094 2.347 0.668 1.00 62.13 H new ATOM 0 HA CYS A 66 -6.757 0.242 -1.235 1.00 72.13 H new ATOM 0 HB2 CYS A 66 -5.607 -0.086 0.982 1.00 11.02 H new ATOM 0 HB3 CYS A 66 -7.095 0.384 1.779 1.00 11.02 H new ATOM 0 HG CYS A 66 -6.251 -2.590 0.658 1.00 73.41 H new ATOM 994 N ASP A 67 -9.072 1.209 -1.632 1.00 61.20 N ATOM 995 CA ASP A 67 -10.460 1.553 -1.945 1.00 32.13 C ATOM 996 C ASP A 67 -11.314 0.303 -2.272 1.00 54.21 C ATOM 997 O ASP A 67 -11.085 -0.383 -3.265 1.00 64.04 O ATOM 998 CB ASP A 67 -10.457 2.556 -3.125 1.00 53.45 C ATOM 999 CG ASP A 67 -11.856 2.841 -3.687 1.00 73.54 C ATOM 1000 OD1 ASP A 67 -12.635 3.561 -3.035 1.00 61.01 O ATOM 1001 OD2 ASP A 67 -12.187 2.337 -4.778 1.00 33.15 O ATOM 0 H ASP A 67 -8.485 1.134 -2.463 1.00 61.20 H new ATOM 0 HA ASP A 67 -10.920 2.008 -1.068 1.00 32.13 H new ATOM 0 HB2 ASP A 67 -10.009 3.493 -2.794 1.00 53.45 H new ATOM 0 HB3 ASP A 67 -9.826 2.165 -3.923 1.00 53.45 H new ATOM 1006 N ALA A 68 -12.307 0.040 -1.429 1.00 0.24 N ATOM 1007 CA ALA A 68 -13.332 -0.991 -1.667 1.00 4.22 C ATOM 1008 C ALA A 68 -14.730 -0.327 -1.699 1.00 61.42 C ATOM 1009 O ALA A 68 -14.902 0.727 -1.082 1.00 61.42 O ATOM 1010 CB ALA A 68 -13.253 -2.056 -0.558 1.00 24.35 C ATOM 0 H ALA A 68 -12.431 0.539 -0.548 1.00 0.24 H new ATOM 0 HA ALA A 68 -13.158 -1.478 -2.627 1.00 4.22 H new ATOM 0 HB1 ALA A 68 -14.011 -2.820 -0.732 1.00 24.35 H new ATOM 0 HB2 ALA A 68 -12.265 -2.517 -0.566 1.00 24.35 H new ATOM 0 HB3 ALA A 68 -13.427 -1.587 0.410 1.00 24.35 H new ATOM 1016 N PRO A 69 -15.760 -0.927 -2.401 1.00 55.04 N ATOM 1017 CA PRO A 69 -17.178 -0.447 -2.323 1.00 51.33 C ATOM 1018 C PRO A 69 -17.717 -0.371 -0.859 1.00 61.12 C ATOM 1019 O PRO A 69 -18.709 0.314 -0.583 1.00 40.15 O ATOM 1020 CB PRO A 69 -17.962 -1.491 -3.181 1.00 71.41 C ATOM 1021 CG PRO A 69 -17.021 -2.657 -3.334 1.00 43.22 C ATOM 1022 CD PRO A 69 -15.635 -2.062 -3.354 1.00 64.52 C ATOM 0 HA PRO A 69 -17.286 0.574 -2.688 1.00 51.33 H new ATOM 0 HB2 PRO A 69 -18.886 -1.792 -2.688 1.00 71.41 H new ATOM 0 HB3 PRO A 69 -18.238 -1.077 -4.151 1.00 71.41 H new ATOM 0 HG2 PRO A 69 -17.133 -3.361 -2.510 1.00 43.22 H new ATOM 0 HG3 PRO A 69 -17.225 -3.207 -4.253 1.00 43.22 H new ATOM 0 HD2 PRO A 69 -14.880 -2.780 -3.034 1.00 64.52 H new ATOM 0 HD3 PRO A 69 -15.352 -1.726 -4.351 1.00 64.52 H new ATOM 1030 N GLN A 70 -17.045 -1.093 0.057 1.00 64.53 N ATOM 1031 CA GLN A 70 -17.271 -0.992 1.509 1.00 20.22 C ATOM 1032 C GLN A 70 -16.617 0.302 2.086 1.00 0.30 C ATOM 1033 O GLN A 70 -17.316 1.265 2.416 1.00 24.13 O ATOM 1034 CB GLN A 70 -16.690 -2.250 2.205 1.00 10.03 C ATOM 1035 CG GLN A 70 -16.935 -2.309 3.723 1.00 61.32 C ATOM 1036 CD GLN A 70 -16.176 -3.441 4.401 1.00 45.32 C ATOM 1037 OE1 GLN A 70 -15.050 -3.259 4.860 1.00 22.45 O ATOM 1038 NE2 GLN A 70 -16.769 -4.619 4.452 1.00 40.32 N ATOM 0 H GLN A 70 -16.323 -1.769 -0.194 1.00 64.53 H new ATOM 0 HA GLN A 70 -18.343 -0.935 1.698 1.00 20.22 H new ATOM 0 HB2 GLN A 70 -17.124 -3.138 1.745 1.00 10.03 H new ATOM 0 HB3 GLN A 70 -15.616 -2.288 2.021 1.00 10.03 H new ATOM 0 HG2 GLN A 70 -16.639 -1.360 4.171 1.00 61.32 H new ATOM 0 HG3 GLN A 70 -18.002 -2.431 3.909 1.00 61.32 H new ATOM 0 HE21 GLN A 70 -17.704 -4.737 4.062 1.00 40.32 H new ATOM 0 HE22 GLN A 70 -16.292 -5.412 4.882 1.00 40.32 H new ATOM 1047 N ASP A 71 -15.262 0.310 2.177 1.00 53.23 N ATOM 1048 CA ASP A 71 -14.477 1.430 2.767 1.00 22.53 C ATOM 1049 C ASP A 71 -13.198 1.720 1.942 1.00 23.21 C ATOM 1050 O ASP A 71 -12.559 0.805 1.419 1.00 42.44 O ATOM 1051 CB ASP A 71 -14.078 1.111 4.239 1.00 63.34 C ATOM 1052 CG ASP A 71 -15.240 1.236 5.237 1.00 54.52 C ATOM 1053 OD1 ASP A 71 -15.582 2.375 5.618 1.00 61.10 O ATOM 1054 OD2 ASP A 71 -15.804 0.208 5.660 1.00 45.20 O ATOM 0 H ASP A 71 -14.681 -0.459 1.844 1.00 53.23 H new ATOM 0 HA ASP A 71 -15.114 2.314 2.748 1.00 22.53 H new ATOM 0 HB2 ASP A 71 -13.678 0.098 4.286 1.00 63.34 H new ATOM 0 HB3 ASP A 71 -13.276 1.784 4.543 1.00 63.34 H new ATOM 1059 N SER A 72 -12.833 3.015 1.851 1.00 44.40 N ATOM 1060 CA SER A 72 -11.572 3.479 1.213 1.00 24.44 C ATOM 1061 C SER A 72 -10.616 4.077 2.278 1.00 10.43 C ATOM 1062 O SER A 72 -10.874 5.149 2.836 1.00 35.54 O ATOM 1063 CB SER A 72 -11.879 4.509 0.094 1.00 3.14 C ATOM 1064 OG SER A 72 -12.660 5.597 0.562 1.00 32.15 O ATOM 0 H SER A 72 -13.404 3.777 2.218 1.00 44.40 H new ATOM 0 HA SER A 72 -11.074 2.624 0.756 1.00 24.44 H new ATOM 0 HB2 SER A 72 -10.942 4.887 -0.316 1.00 3.14 H new ATOM 0 HB3 SER A 72 -12.405 4.011 -0.720 1.00 3.14 H new ATOM 0 HG SER A 72 -12.435 5.783 1.497 1.00 32.15 H new ATOM 1070 N ARG A 73 -9.512 3.355 2.571 1.00 44.41 N ATOM 1071 CA ARG A 73 -8.523 3.729 3.627 1.00 72.21 C ATOM 1072 C ARG A 73 -7.216 4.272 2.996 1.00 55.15 C ATOM 1073 O ARG A 73 -6.631 3.633 2.125 1.00 35.30 O ATOM 1074 CB ARG A 73 -8.212 2.486 4.540 1.00 54.22 C ATOM 1075 CG ARG A 73 -9.173 2.262 5.748 1.00 24.14 C ATOM 1076 CD ARG A 73 -10.671 2.293 5.378 1.00 22.02 C ATOM 1077 NE ARG A 73 -11.548 1.824 6.478 1.00 74.41 N ATOM 1078 CZ ARG A 73 -12.194 2.586 7.336 1.00 54.30 C ATOM 1079 NH1 ARG A 73 -12.046 3.870 7.349 1.00 42.12 N ATOM 1080 NH2 ARG A 73 -12.986 2.041 8.195 1.00 42.12 N ATOM 0 H ARG A 73 -9.274 2.491 2.084 1.00 44.41 H new ATOM 0 HA ARG A 73 -8.958 4.520 4.238 1.00 72.21 H new ATOM 0 HB2 ARG A 73 -8.229 1.591 3.918 1.00 54.22 H new ATOM 0 HB3 ARG A 73 -7.197 2.588 4.924 1.00 54.22 H new ATOM 0 HG2 ARG A 73 -8.943 1.301 6.207 1.00 24.14 H new ATOM 0 HG3 ARG A 73 -8.980 3.028 6.499 1.00 24.14 H new ATOM 0 HD2 ARG A 73 -10.952 3.310 5.105 1.00 22.02 H new ATOM 0 HD3 ARG A 73 -10.836 1.670 4.499 1.00 22.02 H new ATOM 0 HE ARG A 73 -11.662 0.815 6.580 1.00 74.41 H new ATOM 0 HH11 ARG A 73 -11.416 4.318 6.683 1.00 42.12 H new ATOM 0 HH12 ARG A 73 -12.559 4.436 8.025 1.00 42.12 H new ATOM 0 HH21 ARG A 73 -13.108 1.028 8.206 1.00 42.12 H new ATOM 0 HH22 ARG A 73 -13.491 2.622 8.864 1.00 42.12 H new ATOM 1094 N ILE A 74 -6.778 5.463 3.443 1.00 40.01 N ATOM 1095 CA ILE A 74 -5.519 6.095 2.989 1.00 0.44 C ATOM 1096 C ILE A 74 -4.339 5.642 3.887 1.00 31.42 C ATOM 1097 O ILE A 74 -4.412 5.733 5.110 1.00 55.41 O ATOM 1098 CB ILE A 74 -5.646 7.667 3.013 1.00 43.04 C ATOM 1099 CG1 ILE A 74 -6.842 8.134 2.114 1.00 23.24 C ATOM 1100 CG2 ILE A 74 -4.322 8.348 2.584 1.00 3.15 C ATOM 1101 CD1 ILE A 74 -7.114 9.637 2.126 1.00 22.54 C ATOM 0 H ILE A 74 -7.286 6.018 4.131 1.00 40.01 H new ATOM 0 HA ILE A 74 -5.325 5.779 1.964 1.00 0.44 H new ATOM 0 HB ILE A 74 -5.850 7.974 4.039 1.00 43.04 H new ATOM 0 HG12 ILE A 74 -6.647 7.824 1.087 1.00 23.24 H new ATOM 0 HG13 ILE A 74 -7.744 7.615 2.438 1.00 23.24 H new ATOM 0 HG21 ILE A 74 -4.444 9.431 2.612 1.00 3.15 H new ATOM 0 HG22 ILE A 74 -3.524 8.055 3.267 1.00 3.15 H new ATOM 0 HG23 ILE A 74 -4.065 8.038 1.571 1.00 3.15 H new ATOM 0 HD11 ILE A 74 -7.959 9.859 1.474 1.00 22.54 H new ATOM 0 HD12 ILE A 74 -7.346 9.957 3.142 1.00 22.54 H new ATOM 0 HD13 ILE A 74 -6.232 10.169 1.770 1.00 22.54 H new ATOM 1113 N PHE A 75 -3.254 5.158 3.267 1.00 1.02 N ATOM 1114 CA PHE A 75 -2.073 4.635 3.987 1.00 1.03 C ATOM 1115 C PHE A 75 -0.949 5.669 3.975 1.00 60.20 C ATOM 1116 O PHE A 75 -0.378 5.957 2.919 1.00 4.03 O ATOM 1117 CB PHE A 75 -1.584 3.302 3.354 1.00 34.41 C ATOM 1118 CG PHE A 75 -2.494 2.109 3.623 1.00 61.44 C ATOM 1119 CD1 PHE A 75 -3.849 2.155 3.303 1.00 50.22 C ATOM 1120 CD2 PHE A 75 -2.002 0.956 4.221 1.00 12.23 C ATOM 1121 CE1 PHE A 75 -4.674 1.094 3.562 1.00 21.11 C ATOM 1122 CE2 PHE A 75 -2.830 -0.105 4.480 1.00 14.54 C ATOM 1123 CZ PHE A 75 -4.168 -0.030 4.152 1.00 31.13 C ATOM 0 H PHE A 75 -3.165 5.116 2.252 1.00 1.02 H new ATOM 0 HA PHE A 75 -2.361 4.437 5.019 1.00 1.03 H new ATOM 0 HB2 PHE A 75 -1.491 3.438 2.276 1.00 34.41 H new ATOM 0 HB3 PHE A 75 -0.587 3.077 3.734 1.00 34.41 H new ATOM 0 HD1 PHE A 75 -4.256 3.043 2.843 1.00 50.22 H new ATOM 0 HD2 PHE A 75 -0.956 0.895 4.485 1.00 12.23 H new ATOM 0 HE1 PHE A 75 -5.721 1.145 3.301 1.00 21.11 H new ATOM 0 HE2 PHE A 75 -2.436 -0.999 4.940 1.00 14.54 H new ATOM 0 HZ PHE A 75 -4.820 -0.865 4.363 1.00 31.13 H new ATOM 1133 N LEU A 76 -0.648 6.236 5.150 1.00 74.11 N ATOM 1134 CA LEU A 76 0.429 7.220 5.293 1.00 61.44 C ATOM 1135 C LEU A 76 1.774 6.494 5.495 1.00 64.33 C ATOM 1136 O LEU A 76 2.119 6.082 6.610 1.00 4.34 O ATOM 1137 CB LEU A 76 0.117 8.181 6.465 1.00 71.45 C ATOM 1138 CG LEU A 76 -1.237 8.953 6.358 1.00 64.45 C ATOM 1139 CD1 LEU A 76 -1.435 9.887 7.566 1.00 34.54 C ATOM 1140 CD2 LEU A 76 -1.349 9.726 5.019 1.00 75.52 C ATOM 0 H LEU A 76 -1.139 6.028 6.019 1.00 74.11 H new ATOM 0 HA LEU A 76 0.502 7.818 4.385 1.00 61.44 H new ATOM 0 HB2 LEU A 76 0.116 7.608 7.392 1.00 71.45 H new ATOM 0 HB3 LEU A 76 0.925 8.908 6.541 1.00 71.45 H new ATOM 0 HG LEU A 76 -2.040 8.216 6.371 1.00 64.45 H new ATOM 0 HD11 LEU A 76 -2.385 10.413 7.468 1.00 34.54 H new ATOM 0 HD12 LEU A 76 -1.439 9.299 8.484 1.00 34.54 H new ATOM 0 HD13 LEU A 76 -0.621 10.611 7.603 1.00 34.54 H new ATOM 0 HD21 LEU A 76 -2.304 10.251 4.980 1.00 75.52 H new ATOM 0 HD22 LEU A 76 -0.535 10.448 4.946 1.00 75.52 H new ATOM 0 HD23 LEU A 76 -1.287 9.024 4.187 1.00 75.52 H new ATOM 1152 N VAL A 77 2.489 6.285 4.382 1.00 41.25 N ATOM 1153 CA VAL A 77 3.808 5.632 4.369 1.00 21.41 C ATOM 1154 C VAL A 77 4.932 6.680 4.414 1.00 74.02 C ATOM 1155 O VAL A 77 4.858 7.713 3.741 1.00 53.34 O ATOM 1156 CB VAL A 77 3.953 4.715 3.104 1.00 65.30 C ATOM 1157 CG1 VAL A 77 5.376 4.107 2.985 1.00 13.11 C ATOM 1158 CG2 VAL A 77 2.867 3.610 3.127 1.00 32.13 C ATOM 0 H VAL A 77 2.167 6.566 3.456 1.00 41.25 H new ATOM 0 HA VAL A 77 3.892 5.006 5.258 1.00 21.41 H new ATOM 0 HB VAL A 77 3.806 5.334 2.219 1.00 65.30 H new ATOM 0 HG11 VAL A 77 5.430 3.480 2.095 1.00 13.11 H new ATOM 0 HG12 VAL A 77 6.109 4.910 2.908 1.00 13.11 H new ATOM 0 HG13 VAL A 77 5.589 3.504 3.868 1.00 13.11 H new ATOM 0 HG21 VAL A 77 2.973 2.977 2.246 1.00 32.13 H new ATOM 0 HG22 VAL A 77 2.983 3.004 4.026 1.00 32.13 H new ATOM 0 HG23 VAL A 77 1.879 4.071 3.126 1.00 32.13 H new ATOM 1168 N SER A 78 5.973 6.407 5.221 1.00 62.21 N ATOM 1169 CA SER A 78 7.121 7.321 5.396 1.00 13.22 C ATOM 1170 C SER A 78 8.452 6.539 5.392 1.00 74.00 C ATOM 1171 O SER A 78 8.728 5.773 6.320 1.00 32.52 O ATOM 1172 CB SER A 78 6.957 8.113 6.717 1.00 40.23 C ATOM 1173 OG SER A 78 5.752 8.873 6.728 1.00 33.00 O ATOM 0 H SER A 78 6.044 5.550 5.769 1.00 62.21 H new ATOM 0 HA SER A 78 7.144 8.021 4.561 1.00 13.22 H new ATOM 0 HB2 SER A 78 6.959 7.421 7.559 1.00 40.23 H new ATOM 0 HB3 SER A 78 7.809 8.779 6.850 1.00 40.23 H new ATOM 0 HG SER A 78 5.679 9.359 7.576 1.00 33.00 H new ATOM 1179 N VAL A 79 9.269 6.727 4.334 1.00 31.12 N ATOM 1180 CA VAL A 79 10.611 6.126 4.251 1.00 61.02 C ATOM 1181 C VAL A 79 11.594 7.042 5.010 1.00 65.15 C ATOM 1182 O VAL A 79 11.990 8.097 4.500 1.00 62.34 O ATOM 1183 CB VAL A 79 11.079 5.958 2.754 1.00 5.04 C ATOM 1184 CG1 VAL A 79 12.455 5.248 2.666 1.00 23.35 C ATOM 1185 CG2 VAL A 79 10.015 5.223 1.901 1.00 14.55 C ATOM 0 H VAL A 79 9.018 7.293 3.524 1.00 31.12 H new ATOM 0 HA VAL A 79 10.586 5.131 4.696 1.00 61.02 H new ATOM 0 HB VAL A 79 11.196 6.959 2.340 1.00 5.04 H new ATOM 0 HG11 VAL A 79 12.747 5.149 1.621 1.00 23.35 H new ATOM 0 HG12 VAL A 79 13.203 5.837 3.197 1.00 23.35 H new ATOM 0 HG13 VAL A 79 12.384 4.259 3.118 1.00 23.35 H new ATOM 0 HG21 VAL A 79 10.374 5.126 0.876 1.00 14.55 H new ATOM 0 HG22 VAL A 79 9.836 4.232 2.318 1.00 14.55 H new ATOM 0 HG23 VAL A 79 9.086 5.793 1.908 1.00 14.55 H new ATOM 1195 N GLU A 80 11.974 6.623 6.224 1.00 13.13 N ATOM 1196 CA GLU A 80 12.793 7.446 7.148 1.00 5.24 C ATOM 1197 C GLU A 80 13.317 6.599 8.324 1.00 54.41 C ATOM 1198 O GLU A 80 13.514 7.088 9.445 1.00 13.43 O ATOM 1199 CB GLU A 80 11.978 8.681 7.651 1.00 40.32 C ATOM 1200 CG GLU A 80 10.611 8.353 8.287 1.00 10.35 C ATOM 1201 CD GLU A 80 9.862 9.607 8.765 1.00 31.25 C ATOM 1202 OE1 GLU A 80 9.286 10.322 7.920 1.00 34.54 O ATOM 1203 OE2 GLU A 80 9.871 9.902 9.983 1.00 70.22 O ATOM 0 H GLU A 80 11.727 5.708 6.600 1.00 13.13 H new ATOM 0 HA GLU A 80 13.660 7.817 6.602 1.00 5.24 H new ATOM 0 HB2 GLU A 80 12.581 9.220 8.382 1.00 40.32 H new ATOM 0 HB3 GLU A 80 11.817 9.356 6.811 1.00 40.32 H new ATOM 0 HG2 GLU A 80 9.995 7.822 7.561 1.00 10.35 H new ATOM 0 HG3 GLU A 80 10.760 7.680 9.131 1.00 10.35 H new ATOM 1210 N GLU A 81 13.591 5.331 8.030 1.00 45.21 N ATOM 1211 CA GLU A 81 14.132 4.367 9.001 1.00 24.42 C ATOM 1212 C GLU A 81 15.349 3.644 8.374 1.00 32.11 C ATOM 1213 O GLU A 81 15.161 2.675 7.651 1.00 24.11 O ATOM 1214 CB GLU A 81 13.018 3.351 9.402 1.00 12.30 C ATOM 1215 CG GLU A 81 13.417 2.352 10.508 1.00 52.45 C ATOM 1216 CD GLU A 81 13.716 3.027 11.858 1.00 11.13 C ATOM 1217 OE1 GLU A 81 12.764 3.280 12.633 1.00 15.24 O ATOM 1218 OE2 GLU A 81 14.895 3.323 12.149 1.00 11.40 O ATOM 0 H GLU A 81 13.444 4.933 7.102 1.00 45.21 H new ATOM 0 HA GLU A 81 14.462 4.884 9.902 1.00 24.42 H new ATOM 0 HB2 GLU A 81 12.142 3.908 9.734 1.00 12.30 H new ATOM 0 HB3 GLU A 81 12.722 2.790 8.516 1.00 12.30 H new ATOM 0 HG2 GLU A 81 12.613 1.628 10.642 1.00 52.45 H new ATOM 0 HG3 GLU A 81 14.297 1.795 10.185 1.00 52.45 H new ATOM 1225 N PRO A 82 16.613 4.140 8.584 1.00 22.52 N ATOM 1226 CA PRO A 82 17.835 3.502 8.001 1.00 53.12 C ATOM 1227 C PRO A 82 18.056 2.026 8.491 1.00 5.55 C ATOM 1228 O PRO A 82 17.679 1.079 7.763 1.00 37.04 O ATOM 1229 CB PRO A 82 18.988 4.444 8.457 1.00 31.54 C ATOM 1230 CG PRO A 82 18.314 5.740 8.799 1.00 2.55 C ATOM 1231 CD PRO A 82 16.966 5.351 9.370 1.00 21.12 C ATOM 1232 OXT PRO A 82 18.577 1.819 9.614 1.00 37.04 O ATOM 0 HA PRO A 82 17.765 3.402 6.918 1.00 53.12 H new ATOM 0 HB2 PRO A 82 19.516 4.034 9.318 1.00 31.54 H new ATOM 0 HB3 PRO A 82 19.725 4.579 7.665 1.00 31.54 H new ATOM 0 HG2 PRO A 82 18.898 6.308 9.523 1.00 2.55 H new ATOM 0 HG3 PRO A 82 18.200 6.369 7.916 1.00 2.55 H new ATOM 0 HD2 PRO A 82 17.025 5.138 10.437 1.00 21.12 H new ATOM 0 HD3 PRO A 82 16.229 6.144 9.244 1.00 21.12 H new