USER MOD reduce.3.24.130724 H: found=0, std=0, add=980, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 980 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 MET CE :methyl -172:sc= -0.358 (180deg=-0.528) USER MOD Single : A 5 MET CE :methyl -158:sc= 0 (180deg=-0.414) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot -119:sc= 1.21 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc=-1.52e-06 K(o=-1.5e-06,f=-1) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.099) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot -171:sc= 0.243 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.0748 USER MOD Single : A 43 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 HIS : no HD1:sc= -0.0549 X(o=-0.055,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= -0.0802 X(o=-0.08,f=-0.37) USER MOD Single : A 55 HIS : no HD1:sc= -0.452 X(o=-0.45,f=-0.76) USER MOD Single : A 58 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 HIS : no HD1:sc= -0.0179 X(o=-0.018,f=-0.018) USER MOD Single : A 67 ASN : amide:sc= -2.28 X(o=-2.3,f=-2.2!) USER MOD Single : A 71 THR OG1 : rot -44:sc= -2.41! USER MOD Single : A 73 ASN : amide:sc= -0.567 K(o=-0.57,f=-2.7) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.00277 USER MOD Single : A 81 MET CE :methyl -136:sc= -1 (180deg=-2.84!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -161:sc= 1.03 (180deg=0.816) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 113 SER OG : rot 59:sc= 1.11 USER MOD Single : A 115 THR OG1 : rot -73:sc= 0.0756 USER MOD Single : A 116 GLN : amide:sc= -2.27! C(o=-2.3!,f=-8.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.086 -14.860 8.193 1.00 9.84 N ATOM 2 CA GLY A 1 -16.238 -14.338 8.963 1.00 9.33 C ATOM 3 C GLY A 1 -16.642 -12.947 8.521 1.00 8.55 C ATOM 4 O GLY A 1 -17.168 -12.763 7.422 1.00 8.34 O ATOM 0 H1 GLY A 1 -14.846 -15.814 8.531 1.00 9.84 H new ATOM 0 H2 GLY A 1 -15.334 -14.902 7.184 1.00 9.84 H new ATOM 0 H3 GLY A 1 -14.268 -14.231 8.323 1.00 9.84 H new ATOM 0 HA2 GLY A 1 -17.085 -15.014 8.848 1.00 9.33 H new ATOM 0 HA3 GLY A 1 -15.986 -14.321 10.023 1.00 9.33 H new ATOM 10 N ALA A 2 -16.364 -11.962 9.370 1.00 8.39 N ATOM 11 CA ALA A 2 -16.779 -10.584 9.131 1.00 7.95 C ATOM 12 C ALA A 2 -16.126 -10.008 7.879 1.00 7.24 C ATOM 13 O ALA A 2 -16.770 -9.304 7.100 1.00 7.25 O ATOM 14 CB ALA A 2 -16.455 -9.721 10.341 1.00 8.62 C ATOM 0 H ALA A 2 -15.847 -12.096 10.239 1.00 8.39 H new ATOM 0 HA ALA A 2 -17.857 -10.585 8.970 1.00 7.95 H new ATOM 0 HB1 ALA A 2 -16.769 -8.695 10.151 1.00 8.62 H new ATOM 0 HB2 ALA A 2 -16.982 -10.106 11.214 1.00 8.62 H new ATOM 0 HB3 ALA A 2 -15.381 -9.743 10.527 1.00 8.62 H new ATOM 20 N MET A 3 -14.854 -10.322 7.677 1.00 6.97 N ATOM 21 CA MET A 3 -14.120 -9.803 6.527 1.00 6.66 C ATOM 22 C MET A 3 -14.262 -10.733 5.323 1.00 5.89 C ATOM 23 O MET A 3 -13.515 -10.627 4.350 1.00 5.94 O ATOM 24 CB MET A 3 -12.637 -9.601 6.874 1.00 7.35 C ATOM 25 CG MET A 3 -11.893 -10.888 7.206 1.00 8.09 C ATOM 26 SD MET A 3 -10.194 -10.593 7.738 1.00 8.78 S ATOM 27 CE MET A 3 -9.506 -9.810 6.281 1.00 9.31 C ATOM 0 H MET A 3 -14.310 -10.930 8.289 1.00 6.97 H new ATOM 0 HA MET A 3 -14.549 -8.836 6.265 1.00 6.66 H new ATOM 0 HB2 MET A 3 -12.142 -9.115 6.034 1.00 7.35 H new ATOM 0 HB3 MET A 3 -12.563 -8.922 7.724 1.00 7.35 H new ATOM 0 HG2 MET A 3 -12.428 -11.420 7.992 1.00 8.09 H new ATOM 0 HG3 MET A 3 -11.888 -11.536 6.330 1.00 8.09 H new ATOM 0 HE1 MET A 3 -8.429 -9.697 6.403 1.00 9.31 H new ATOM 0 HE2 MET A 3 -9.710 -10.427 5.406 1.00 9.31 H new ATOM 0 HE3 MET A 3 -9.961 -8.828 6.146 1.00 9.31 H new ATOM 37 N GLY A 4 -15.225 -11.643 5.395 1.00 5.55 N ATOM 38 CA GLY A 4 -15.465 -12.559 4.300 1.00 5.17 C ATOM 39 C GLY A 4 -16.911 -12.544 3.859 1.00 4.35 C ATOM 40 O GLY A 4 -17.353 -13.411 3.107 1.00 4.64 O ATOM 0 H GLY A 4 -15.845 -11.762 6.196 1.00 5.55 H new ATOM 0 HA2 GLY A 4 -14.826 -12.293 3.458 1.00 5.17 H new ATOM 0 HA3 GLY A 4 -15.189 -13.569 4.604 1.00 5.17 H new ATOM 44 N MET A 5 -17.654 -11.553 4.329 1.00 3.80 N ATOM 45 CA MET A 5 -19.063 -11.430 3.980 1.00 3.46 C ATOM 46 C MET A 5 -19.306 -10.139 3.209 1.00 2.69 C ATOM 47 O MET A 5 -20.403 -9.579 3.223 1.00 3.15 O ATOM 48 CB MET A 5 -19.940 -11.490 5.237 1.00 4.10 C ATOM 49 CG MET A 5 -19.719 -10.342 6.212 1.00 4.56 C ATOM 50 SD MET A 5 -20.671 -10.540 7.731 1.00 5.55 S ATOM 51 CE MET A 5 -20.272 -9.018 8.587 1.00 6.19 C ATOM 0 H MET A 5 -17.307 -10.824 4.952 1.00 3.80 H new ATOM 0 HA MET A 5 -19.336 -12.269 3.340 1.00 3.46 H new ATOM 0 HB2 MET A 5 -20.987 -11.498 4.935 1.00 4.10 H new ATOM 0 HB3 MET A 5 -19.750 -12.431 5.753 1.00 4.10 H new ATOM 0 HG2 MET A 5 -18.659 -10.275 6.457 1.00 4.56 H new ATOM 0 HG3 MET A 5 -19.995 -9.403 5.733 1.00 4.56 H new ATOM 0 HE1 MET A 5 -20.443 -9.146 9.656 1.00 6.19 H new ATOM 0 HE2 MET A 5 -19.225 -8.767 8.415 1.00 6.19 H new ATOM 0 HE3 MET A 5 -20.904 -8.213 8.212 1.00 6.19 H new ATOM 61 N SER A 6 -18.268 -9.675 2.531 1.00 2.04 N ATOM 62 CA SER A 6 -18.358 -8.469 1.726 1.00 1.62 C ATOM 63 C SER A 6 -17.586 -8.639 0.414 1.00 1.22 C ATOM 64 O SER A 6 -16.626 -7.912 0.155 1.00 1.33 O ATOM 65 CB SER A 6 -17.802 -7.277 2.510 1.00 2.15 C ATOM 66 OG SER A 6 -18.464 -7.140 3.758 1.00 2.78 O ATOM 0 H SER A 6 -17.350 -10.119 2.523 1.00 2.04 H new ATOM 0 HA SER A 6 -19.406 -8.285 1.490 1.00 1.62 H new ATOM 0 HB2 SER A 6 -16.733 -7.411 2.674 1.00 2.15 H new ATOM 0 HB3 SER A 6 -17.924 -6.364 1.927 1.00 2.15 H new ATOM 0 HG SER A 6 -18.092 -6.374 4.243 1.00 2.78 H new ATOM 72 N PRO A 7 -17.996 -9.600 -0.441 1.00 1.00 N ATOM 73 CA PRO A 7 -17.292 -9.887 -1.692 1.00 0.92 C ATOM 74 C PRO A 7 -17.398 -8.736 -2.683 1.00 0.83 C ATOM 75 O PRO A 7 -16.459 -8.455 -3.419 1.00 0.81 O ATOM 76 CB PRO A 7 -17.996 -11.131 -2.248 1.00 1.15 C ATOM 77 CG PRO A 7 -18.827 -11.656 -1.127 1.00 1.35 C ATOM 78 CD PRO A 7 -19.170 -10.469 -0.274 1.00 1.22 C ATOM 0 HA PRO A 7 -16.225 -10.036 -1.524 1.00 0.92 H new ATOM 0 HB2 PRO A 7 -18.614 -10.879 -3.110 1.00 1.15 H new ATOM 0 HB3 PRO A 7 -17.272 -11.875 -2.581 1.00 1.15 H new ATOM 0 HG2 PRO A 7 -19.729 -12.140 -1.503 1.00 1.35 H new ATOM 0 HG3 PRO A 7 -18.280 -12.404 -0.553 1.00 1.35 H new ATOM 0 HD2 PRO A 7 -20.086 -9.981 -0.609 1.00 1.22 H new ATOM 0 HD3 PRO A 7 -19.321 -10.750 0.768 1.00 1.22 H new ATOM 86 N ASP A 8 -18.548 -8.076 -2.688 1.00 0.81 N ATOM 87 CA ASP A 8 -18.786 -6.932 -3.568 1.00 0.80 C ATOM 88 C ASP A 8 -17.826 -5.790 -3.248 1.00 0.67 C ATOM 89 O ASP A 8 -17.151 -5.261 -4.135 1.00 0.67 O ATOM 90 CB ASP A 8 -20.240 -6.466 -3.423 1.00 0.91 C ATOM 91 CG ASP A 8 -20.516 -5.145 -4.111 1.00 1.50 C ATOM 92 OD1 ASP A 8 -20.787 -5.149 -5.330 1.00 2.18 O ATOM 93 OD2 ASP A 8 -20.487 -4.098 -3.431 1.00 2.05 O ATOM 0 H ASP A 8 -19.339 -8.313 -2.089 1.00 0.81 H new ATOM 0 HA ASP A 8 -18.608 -7.239 -4.599 1.00 0.80 H new ATOM 0 HB2 ASP A 8 -20.901 -7.228 -3.835 1.00 0.91 H new ATOM 0 HB3 ASP A 8 -20.481 -6.374 -2.364 1.00 0.91 H new ATOM 98 N THR A 9 -17.767 -5.431 -1.974 1.00 0.62 N ATOM 99 CA THR A 9 -16.888 -4.372 -1.498 1.00 0.58 C ATOM 100 C THR A 9 -15.423 -4.700 -1.784 1.00 0.49 C ATOM 101 O THR A 9 -14.674 -3.872 -2.310 1.00 0.46 O ATOM 102 CB THR A 9 -17.074 -4.165 0.016 1.00 0.64 C ATOM 103 OG1 THR A 9 -18.461 -3.947 0.310 1.00 0.74 O ATOM 104 CG2 THR A 9 -16.248 -2.989 0.512 1.00 0.72 C ATOM 0 H THR A 9 -18.327 -5.866 -1.241 1.00 0.62 H new ATOM 0 HA THR A 9 -17.153 -3.458 -2.030 1.00 0.58 H new ATOM 0 HB THR A 9 -16.730 -5.063 0.529 1.00 0.64 H new ATOM 0 HG1 THR A 9 -18.574 -3.064 0.720 1.00 0.74 H new ATOM 0 HG21 THR A 9 -16.398 -2.865 1.584 1.00 0.72 H new ATOM 0 HG22 THR A 9 -15.193 -3.176 0.313 1.00 0.72 H new ATOM 0 HG23 THR A 9 -16.560 -2.082 -0.005 1.00 0.72 H new ATOM 112 N ALA A 10 -15.038 -5.926 -1.458 1.00 0.51 N ATOM 113 CA ALA A 10 -13.658 -6.360 -1.607 1.00 0.50 C ATOM 114 C ALA A 10 -13.254 -6.405 -3.077 1.00 0.48 C ATOM 115 O ALA A 10 -12.135 -6.040 -3.436 1.00 0.45 O ATOM 116 CB ALA A 10 -13.464 -7.719 -0.956 1.00 0.60 C ATOM 0 H ALA A 10 -15.666 -6.639 -1.087 1.00 0.51 H new ATOM 0 HA ALA A 10 -13.015 -5.637 -1.106 1.00 0.50 H new ATOM 0 HB1 ALA A 10 -12.427 -8.034 -1.074 1.00 0.60 H new ATOM 0 HB2 ALA A 10 -13.705 -7.652 0.105 1.00 0.60 H new ATOM 0 HB3 ALA A 10 -14.121 -8.447 -1.432 1.00 0.60 H new ATOM 122 N ARG A 11 -14.184 -6.832 -3.921 1.00 0.54 N ATOM 123 CA ARG A 11 -13.932 -6.951 -5.351 1.00 0.59 C ATOM 124 C ARG A 11 -13.684 -5.581 -5.971 1.00 0.52 C ATOM 125 O ARG A 11 -12.734 -5.395 -6.734 1.00 0.52 O ATOM 126 CB ARG A 11 -15.120 -7.625 -6.046 1.00 0.74 C ATOM 127 CG ARG A 11 -14.920 -7.843 -7.538 1.00 1.02 C ATOM 128 CD ARG A 11 -16.211 -8.281 -8.214 1.00 1.21 C ATOM 129 NE ARG A 11 -16.803 -9.457 -7.575 1.00 1.97 N ATOM 130 CZ ARG A 11 -18.112 -9.719 -7.567 1.00 2.53 C ATOM 131 NH1 ARG A 11 -18.963 -8.903 -8.176 1.00 2.44 N ATOM 132 NH2 ARG A 11 -18.571 -10.802 -6.954 1.00 3.56 N ATOM 0 H ARG A 11 -15.126 -7.103 -3.638 1.00 0.54 H new ATOM 0 HA ARG A 11 -13.041 -7.564 -5.488 1.00 0.59 H new ATOM 0 HB2 ARG A 11 -15.308 -8.588 -5.570 1.00 0.74 H new ATOM 0 HB3 ARG A 11 -16.011 -7.015 -5.894 1.00 0.74 H new ATOM 0 HG2 ARG A 11 -14.562 -6.921 -7.997 1.00 1.02 H new ATOM 0 HG3 ARG A 11 -14.150 -8.598 -7.697 1.00 1.02 H new ATOM 0 HD2 ARG A 11 -16.927 -7.459 -8.191 1.00 1.21 H new ATOM 0 HD3 ARG A 11 -16.012 -8.502 -9.263 1.00 1.21 H new ATOM 0 HE ARG A 11 -16.179 -10.115 -7.108 1.00 1.97 H new ATOM 0 HH11 ARG A 11 -18.618 -8.070 -8.654 1.00 2.44 H new ATOM 0 HH12 ARG A 11 -19.962 -9.108 -8.167 1.00 2.44 H new ATOM 0 HH21 ARG A 11 -17.923 -11.437 -6.487 1.00 3.56 H new ATOM 0 HH22 ARG A 11 -19.572 -11.000 -6.949 1.00 3.56 H new ATOM 146 N ARG A 12 -14.534 -4.623 -5.624 1.00 0.51 N ATOM 147 CA ARG A 12 -14.462 -3.288 -6.198 1.00 0.51 C ATOM 148 C ARG A 12 -13.189 -2.575 -5.755 1.00 0.42 C ATOM 149 O ARG A 12 -12.549 -1.879 -6.545 1.00 0.41 O ATOM 150 CB ARG A 12 -15.699 -2.480 -5.801 1.00 0.57 C ATOM 151 CG ARG A 12 -15.843 -1.166 -6.554 1.00 1.31 C ATOM 152 CD ARG A 12 -17.190 -0.516 -6.279 1.00 1.38 C ATOM 153 NE ARG A 12 -17.326 0.781 -6.936 1.00 2.05 N ATOM 154 CZ ARG A 12 -18.497 1.359 -7.206 1.00 2.50 C ATOM 155 NH1 ARG A 12 -19.636 0.725 -6.948 1.00 2.39 N ATOM 156 NH2 ARG A 12 -18.526 2.566 -7.753 1.00 3.49 N ATOM 0 H ARG A 12 -15.284 -4.748 -4.944 1.00 0.51 H new ATOM 0 HA ARG A 12 -14.435 -3.378 -7.284 1.00 0.51 H new ATOM 0 HB2 ARG A 12 -16.588 -3.086 -5.974 1.00 0.57 H new ATOM 0 HB3 ARG A 12 -15.658 -2.272 -4.732 1.00 0.57 H new ATOM 0 HG2 ARG A 12 -15.042 -0.487 -6.261 1.00 1.31 H new ATOM 0 HG3 ARG A 12 -15.734 -1.344 -7.624 1.00 1.31 H new ATOM 0 HD2 ARG A 12 -17.986 -1.178 -6.619 1.00 1.38 H new ATOM 0 HD3 ARG A 12 -17.317 -0.391 -5.204 1.00 1.38 H new ATOM 0 HE ARG A 12 -16.475 1.274 -7.204 1.00 2.05 H new ATOM 0 HH11 ARG A 12 -19.618 -0.210 -6.541 1.00 2.39 H new ATOM 0 HH12 ARG A 12 -20.528 1.173 -7.157 1.00 2.39 H new ATOM 0 HH21 ARG A 12 -17.654 3.050 -7.966 1.00 3.49 H new ATOM 0 HH22 ARG A 12 -19.420 3.010 -7.961 1.00 3.49 H new ATOM 170 N PHE A 13 -12.809 -2.770 -4.499 1.00 0.40 N ATOM 171 CA PHE A 13 -11.593 -2.164 -3.973 1.00 0.37 C ATOM 172 C PHE A 13 -10.370 -2.713 -4.702 1.00 0.33 C ATOM 173 O PHE A 13 -9.486 -1.960 -5.107 1.00 0.33 O ATOM 174 CB PHE A 13 -11.469 -2.416 -2.463 1.00 0.41 C ATOM 175 CG PHE A 13 -10.286 -1.735 -1.825 1.00 0.41 C ATOM 176 CD1 PHE A 13 -10.380 -0.426 -1.377 1.00 0.43 C ATOM 177 CD2 PHE A 13 -9.083 -2.405 -1.672 1.00 0.46 C ATOM 178 CE1 PHE A 13 -9.294 0.198 -0.790 1.00 0.48 C ATOM 179 CE2 PHE A 13 -7.996 -1.786 -1.087 1.00 0.51 C ATOM 180 CZ PHE A 13 -8.101 -0.483 -0.645 1.00 0.50 C ATOM 0 H PHE A 13 -13.323 -3.341 -3.828 1.00 0.40 H new ATOM 0 HA PHE A 13 -11.647 -1.088 -4.138 1.00 0.37 H new ATOM 0 HB2 PHE A 13 -12.380 -2.075 -1.972 1.00 0.41 H new ATOM 0 HB3 PHE A 13 -11.395 -3.489 -2.289 1.00 0.41 H new ATOM 0 HD1 PHE A 13 -11.310 0.112 -1.487 1.00 0.43 H new ATOM 0 HD2 PHE A 13 -8.994 -3.425 -2.015 1.00 0.46 H new ATOM 0 HE1 PHE A 13 -9.379 1.218 -0.445 1.00 0.48 H new ATOM 0 HE2 PHE A 13 -7.065 -2.321 -0.976 1.00 0.51 H new ATOM 0 HZ PHE A 13 -7.252 0.003 -0.187 1.00 0.50 H new ATOM 190 N ASP A 14 -10.349 -4.027 -4.897 1.00 0.35 N ATOM 191 CA ASP A 14 -9.225 -4.698 -5.545 1.00 0.37 C ATOM 192 C ASP A 14 -9.082 -4.280 -7.006 1.00 0.34 C ATOM 193 O ASP A 14 -7.974 -4.191 -7.528 1.00 0.37 O ATOM 194 CB ASP A 14 -9.390 -6.220 -5.445 1.00 0.47 C ATOM 195 CG ASP A 14 -8.499 -6.983 -6.413 1.00 0.58 C ATOM 196 OD1 ASP A 14 -7.263 -6.956 -6.227 1.00 0.87 O ATOM 197 OD2 ASP A 14 -9.023 -7.609 -7.356 1.00 0.65 O ATOM 0 H ASP A 14 -11.103 -4.653 -4.614 1.00 0.35 H new ATOM 0 HA ASP A 14 -8.316 -4.398 -5.025 1.00 0.37 H new ATOM 0 HB2 ASP A 14 -9.165 -6.537 -4.427 1.00 0.47 H new ATOM 0 HB3 ASP A 14 -10.431 -6.480 -5.637 1.00 0.47 H new ATOM 202 N THR A 15 -10.198 -3.996 -7.655 1.00 0.33 N ATOM 203 CA THR A 15 -10.167 -3.714 -9.081 1.00 0.34 C ATOM 204 C THR A 15 -10.012 -2.214 -9.373 1.00 0.33 C ATOM 205 O THR A 15 -9.271 -1.832 -10.278 1.00 0.37 O ATOM 206 CB THR A 15 -11.402 -4.290 -9.822 1.00 0.39 C ATOM 207 OG1 THR A 15 -11.204 -4.221 -11.240 1.00 1.51 O ATOM 208 CG2 THR A 15 -12.683 -3.551 -9.458 1.00 1.34 C ATOM 0 H THR A 15 -11.123 -3.955 -7.227 1.00 0.33 H new ATOM 0 HA THR A 15 -9.283 -4.221 -9.467 1.00 0.34 H new ATOM 0 HB THR A 15 -11.509 -5.329 -9.509 1.00 0.39 H new ATOM 0 HG1 THR A 15 -11.989 -4.588 -11.698 1.00 1.51 H new ATOM 0 HG21 THR A 15 -13.522 -3.988 -10.000 1.00 1.34 H new ATOM 0 HG22 THR A 15 -12.860 -3.636 -8.386 1.00 1.34 H new ATOM 0 HG23 THR A 15 -12.585 -2.499 -9.727 1.00 1.34 H new ATOM 216 N GLU A 16 -10.696 -1.365 -8.614 1.00 0.33 N ATOM 217 CA GLU A 16 -10.707 0.063 -8.913 1.00 0.39 C ATOM 218 C GLU A 16 -9.682 0.846 -8.086 1.00 0.37 C ATOM 219 O GLU A 16 -8.983 1.713 -8.610 1.00 0.46 O ATOM 220 CB GLU A 16 -12.109 0.630 -8.692 1.00 0.48 C ATOM 221 CG GLU A 16 -12.344 1.951 -9.404 1.00 0.60 C ATOM 222 CD GLU A 16 -12.176 1.828 -10.906 1.00 1.15 C ATOM 223 OE1 GLU A 16 -12.844 0.967 -11.515 1.00 1.27 O ATOM 224 OE2 GLU A 16 -11.360 2.580 -11.482 1.00 1.81 O ATOM 0 H GLU A 16 -11.244 -1.635 -7.797 1.00 0.33 H new ATOM 0 HA GLU A 16 -10.424 0.177 -9.959 1.00 0.39 H new ATOM 0 HB2 GLU A 16 -12.845 -0.096 -9.037 1.00 0.48 H new ATOM 0 HB3 GLU A 16 -12.273 0.767 -7.623 1.00 0.48 H new ATOM 0 HG2 GLU A 16 -13.349 2.309 -9.180 1.00 0.60 H new ATOM 0 HG3 GLU A 16 -11.647 2.697 -9.022 1.00 0.60 H new ATOM 231 N PHE A 17 -9.587 0.537 -6.799 1.00 0.31 N ATOM 232 CA PHE A 17 -8.789 1.347 -5.877 1.00 0.32 C ATOM 233 C PHE A 17 -7.352 0.844 -5.763 1.00 0.30 C ATOM 234 O PHE A 17 -6.403 1.612 -5.927 1.00 0.33 O ATOM 235 CB PHE A 17 -9.432 1.368 -4.486 1.00 0.37 C ATOM 236 CG PHE A 17 -10.768 2.067 -4.427 1.00 0.42 C ATOM 237 CD1 PHE A 17 -11.897 1.475 -4.974 1.00 0.43 C ATOM 238 CD2 PHE A 17 -10.893 3.320 -3.839 1.00 0.64 C ATOM 239 CE1 PHE A 17 -13.123 2.117 -4.933 1.00 0.48 C ATOM 240 CE2 PHE A 17 -12.115 3.964 -3.797 1.00 0.72 C ATOM 241 CZ PHE A 17 -13.234 3.350 -4.290 1.00 0.57 C ATOM 0 H PHE A 17 -10.049 -0.264 -6.368 1.00 0.31 H new ATOM 0 HA PHE A 17 -8.762 2.357 -6.287 1.00 0.32 H new ATOM 0 HB2 PHE A 17 -9.557 0.341 -4.142 1.00 0.37 H new ATOM 0 HB3 PHE A 17 -8.749 1.856 -3.791 1.00 0.37 H new ATOM 0 HD1 PHE A 17 -11.819 0.502 -5.437 1.00 0.43 H new ATOM 0 HD2 PHE A 17 -10.024 3.796 -3.409 1.00 0.64 H new ATOM 0 HE1 PHE A 17 -13.988 1.666 -5.396 1.00 0.48 H new ATOM 0 HE2 PHE A 17 -12.187 4.955 -3.374 1.00 0.72 H new ATOM 0 HZ PHE A 17 -14.201 3.819 -4.182 1.00 0.57 H new ATOM 251 N ALA A 18 -7.199 -0.446 -5.481 1.00 0.29 N ATOM 252 CA ALA A 18 -5.888 -1.035 -5.214 1.00 0.30 C ATOM 253 C ALA A 18 -4.868 -0.806 -6.344 1.00 0.29 C ATOM 254 O ALA A 18 -3.733 -0.420 -6.062 1.00 0.30 O ATOM 255 CB ALA A 18 -6.023 -2.516 -4.901 1.00 0.32 C ATOM 0 H ALA A 18 -7.972 -1.109 -5.431 1.00 0.29 H new ATOM 0 HA ALA A 18 -5.491 -0.516 -4.341 1.00 0.30 H new ATOM 0 HB1 ALA A 18 -5.037 -2.938 -4.705 1.00 0.32 H new ATOM 0 HB2 ALA A 18 -6.655 -2.646 -4.022 1.00 0.32 H new ATOM 0 HB3 ALA A 18 -6.474 -3.028 -5.751 1.00 0.32 H new ATOM 261 N PRO A 19 -5.229 -1.031 -7.632 1.00 0.30 N ATOM 262 CA PRO A 19 -4.297 -0.815 -8.748 1.00 0.32 C ATOM 263 C PRO A 19 -3.819 0.629 -8.832 1.00 0.31 C ATOM 264 O PRO A 19 -2.720 0.903 -9.317 1.00 0.32 O ATOM 265 CB PRO A 19 -5.120 -1.172 -9.990 1.00 0.37 C ATOM 266 CG PRO A 19 -6.194 -2.059 -9.479 1.00 0.35 C ATOM 267 CD PRO A 19 -6.529 -1.529 -8.117 1.00 0.31 C ATOM 0 HA PRO A 19 -3.393 -1.414 -8.636 1.00 0.32 H new ATOM 0 HB2 PRO A 19 -5.532 -0.281 -10.463 1.00 0.37 H new ATOM 0 HB3 PRO A 19 -4.510 -1.677 -10.739 1.00 0.37 H new ATOM 0 HG2 PRO A 19 -7.065 -2.040 -10.134 1.00 0.35 H new ATOM 0 HG3 PRO A 19 -5.857 -3.094 -9.427 1.00 0.35 H new ATOM 0 HD2 PRO A 19 -7.274 -0.735 -8.164 1.00 0.31 H new ATOM 0 HD3 PRO A 19 -6.932 -2.307 -7.468 1.00 0.31 H new ATOM 275 N ARG A 20 -4.645 1.548 -8.341 1.00 0.32 N ATOM 276 CA ARG A 20 -4.312 2.964 -8.359 1.00 0.35 C ATOM 277 C ARG A 20 -3.224 3.255 -7.336 1.00 0.30 C ATOM 278 O ARG A 20 -2.314 4.042 -7.588 1.00 0.31 O ATOM 279 CB ARG A 20 -5.555 3.809 -8.064 1.00 0.43 C ATOM 280 CG ARG A 20 -5.309 5.312 -8.117 1.00 1.07 C ATOM 281 CD ARG A 20 -4.919 5.771 -9.516 1.00 1.40 C ATOM 282 NE ARG A 20 -5.954 5.459 -10.502 1.00 1.95 N ATOM 283 CZ ARG A 20 -5.824 5.663 -11.813 1.00 2.73 C ATOM 284 NH1 ARG A 20 -4.709 6.197 -12.302 1.00 3.15 N ATOM 285 NH2 ARG A 20 -6.811 5.332 -12.636 1.00 3.58 N ATOM 0 H ARG A 20 -5.552 1.334 -7.925 1.00 0.32 H new ATOM 0 HA ARG A 20 -3.944 3.225 -9.351 1.00 0.35 H new ATOM 0 HB2 ARG A 20 -6.334 3.553 -8.782 1.00 0.43 H new ATOM 0 HB3 ARG A 20 -5.933 3.548 -7.076 1.00 0.43 H new ATOM 0 HG2 ARG A 20 -6.208 5.839 -7.799 1.00 1.07 H new ATOM 0 HG3 ARG A 20 -4.519 5.576 -7.414 1.00 1.07 H new ATOM 0 HD2 ARG A 20 -4.738 6.846 -9.508 1.00 1.40 H new ATOM 0 HD3 ARG A 20 -3.984 5.292 -9.807 1.00 1.40 H new ATOM 0 HE ARG A 20 -6.830 5.060 -10.165 1.00 1.95 H new ATOM 0 HH11 ARG A 20 -3.948 6.453 -11.673 1.00 3.15 H new ATOM 0 HH12 ARG A 20 -4.615 6.351 -13.306 1.00 3.15 H new ATOM 0 HH21 ARG A 20 -7.668 4.922 -12.265 1.00 3.58 H new ATOM 0 HH22 ARG A 20 -6.712 5.488 -13.639 1.00 3.58 H new ATOM 299 N ILE A 21 -3.317 2.597 -6.187 1.00 0.28 N ATOM 300 CA ILE A 21 -2.331 2.759 -5.131 1.00 0.28 C ATOM 301 C ILE A 21 -0.991 2.191 -5.581 1.00 0.24 C ATOM 302 O ILE A 21 0.041 2.854 -5.493 1.00 0.25 O ATOM 303 CB ILE A 21 -2.764 2.049 -3.829 1.00 0.31 C ATOM 304 CG1 ILE A 21 -4.148 2.535 -3.386 1.00 0.35 C ATOM 305 CG2 ILE A 21 -1.738 2.286 -2.725 1.00 0.33 C ATOM 306 CD1 ILE A 21 -4.700 1.803 -2.176 1.00 0.38 C ATOM 0 H ILE A 21 -4.069 1.944 -5.964 1.00 0.28 H new ATOM 0 HA ILE A 21 -2.242 3.826 -4.929 1.00 0.28 H new ATOM 0 HB ILE A 21 -2.821 0.978 -4.024 1.00 0.31 H new ATOM 0 HG12 ILE A 21 -4.093 3.600 -3.160 1.00 0.35 H new ATOM 0 HG13 ILE A 21 -4.845 2.421 -4.216 1.00 0.35 H new ATOM 0 HG21 ILE A 21 -2.059 1.779 -1.815 1.00 0.33 H new ATOM 0 HG22 ILE A 21 -0.770 1.893 -3.037 1.00 0.33 H new ATOM 0 HG23 ILE A 21 -1.651 3.355 -2.533 1.00 0.33 H new ATOM 0 HD11 ILE A 21 -5.682 2.204 -1.925 1.00 0.38 H new ATOM 0 HD12 ILE A 21 -4.789 0.741 -2.403 1.00 0.38 H new ATOM 0 HD13 ILE A 21 -4.026 1.938 -1.330 1.00 0.38 H new ATOM 318 N ALA A 22 -1.031 0.966 -6.089 1.00 0.23 N ATOM 319 CA ALA A 22 0.171 0.269 -6.522 1.00 0.23 C ATOM 320 C ALA A 22 0.879 1.019 -7.643 1.00 0.24 C ATOM 321 O ALA A 22 2.106 1.110 -7.657 1.00 0.28 O ATOM 322 CB ALA A 22 -0.182 -1.140 -6.969 1.00 0.25 C ATOM 0 H ALA A 22 -1.891 0.432 -6.212 1.00 0.23 H new ATOM 0 HA ALA A 22 0.856 0.218 -5.676 1.00 0.23 H new ATOM 0 HB1 ALA A 22 0.722 -1.656 -7.292 1.00 0.25 H new ATOM 0 HB2 ALA A 22 -0.633 -1.683 -6.138 1.00 0.25 H new ATOM 0 HB3 ALA A 22 -0.888 -1.093 -7.798 1.00 0.25 H new ATOM 328 N ARG A 23 0.101 1.559 -8.572 1.00 0.27 N ATOM 329 CA ARG A 23 0.653 2.269 -9.718 1.00 0.34 C ATOM 330 C ARG A 23 1.260 3.601 -9.298 1.00 0.30 C ATOM 331 O ARG A 23 2.365 3.945 -9.711 1.00 0.31 O ATOM 332 CB ARG A 23 -0.427 2.499 -10.774 1.00 0.47 C ATOM 333 CG ARG A 23 0.090 3.161 -12.038 1.00 1.16 C ATOM 334 CD ARG A 23 -1.011 3.340 -13.068 1.00 1.33 C ATOM 335 NE ARG A 23 -0.495 3.891 -14.318 1.00 1.85 N ATOM 336 CZ ARG A 23 -1.202 3.988 -15.441 1.00 2.38 C ATOM 337 NH1 ARG A 23 -2.473 3.603 -15.470 1.00 2.41 N ATOM 338 NH2 ARG A 23 -0.639 4.479 -16.536 1.00 3.36 N ATOM 0 H ARG A 23 -0.918 1.518 -8.554 1.00 0.27 H new ATOM 0 HA ARG A 23 1.443 1.651 -10.145 1.00 0.34 H new ATOM 0 HB2 ARG A 23 -0.879 1.542 -11.034 1.00 0.47 H new ATOM 0 HB3 ARG A 23 -1.216 3.118 -10.346 1.00 0.47 H new ATOM 0 HG2 ARG A 23 0.519 4.132 -11.791 1.00 1.16 H new ATOM 0 HG3 ARG A 23 0.892 2.557 -12.463 1.00 1.16 H new ATOM 0 HD2 ARG A 23 -1.487 2.379 -13.263 1.00 1.33 H new ATOM 0 HD3 ARG A 23 -1.780 4.001 -12.668 1.00 1.33 H new ATOM 0 HE ARG A 23 0.469 4.223 -14.331 1.00 1.85 H new ATOM 0 HH11 ARG A 23 -2.912 3.230 -14.628 1.00 2.41 H new ATOM 0 HH12 ARG A 23 -3.010 3.680 -16.334 1.00 2.41 H new ATOM 0 HH21 ARG A 23 0.335 4.782 -16.517 1.00 3.36 H new ATOM 0 HH22 ARG A 23 -1.180 4.554 -17.398 1.00 3.36 H new ATOM 352 N ALA A 24 0.533 4.342 -8.468 1.00 0.29 N ATOM 353 CA ALA A 24 0.983 5.651 -8.016 1.00 0.31 C ATOM 354 C ALA A 24 2.295 5.542 -7.251 1.00 0.29 C ATOM 355 O ALA A 24 3.217 6.329 -7.466 1.00 0.31 O ATOM 356 CB ALA A 24 -0.080 6.305 -7.149 1.00 0.35 C ATOM 0 H ALA A 24 -0.372 4.056 -8.095 1.00 0.29 H new ATOM 0 HA ALA A 24 1.152 6.273 -8.895 1.00 0.31 H new ATOM 0 HB1 ALA A 24 0.271 7.283 -6.819 1.00 0.35 H new ATOM 0 HB2 ALA A 24 -0.997 6.424 -7.726 1.00 0.35 H new ATOM 0 HB3 ALA A 24 -0.277 5.678 -6.280 1.00 0.35 H new ATOM 362 N ILE A 25 2.379 4.553 -6.371 1.00 0.27 N ATOM 363 CA ILE A 25 3.578 4.339 -5.578 1.00 0.30 C ATOM 364 C ILE A 25 4.737 3.889 -6.465 1.00 0.30 C ATOM 365 O ILE A 25 5.866 4.359 -6.312 1.00 0.33 O ATOM 366 CB ILE A 25 3.336 3.299 -4.459 1.00 0.33 C ATOM 367 CG1 ILE A 25 2.268 3.811 -3.485 1.00 0.36 C ATOM 368 CG2 ILE A 25 4.631 2.989 -3.718 1.00 0.39 C ATOM 369 CD1 ILE A 25 1.959 2.848 -2.358 1.00 1.05 C ATOM 0 H ILE A 25 1.629 3.886 -6.190 1.00 0.27 H new ATOM 0 HA ILE A 25 3.836 5.289 -5.111 1.00 0.30 H new ATOM 0 HB ILE A 25 2.980 2.376 -4.917 1.00 0.33 H new ATOM 0 HG12 ILE A 25 2.600 4.758 -3.061 1.00 0.36 H new ATOM 0 HG13 ILE A 25 1.351 4.014 -4.039 1.00 0.36 H new ATOM 0 HG21 ILE A 25 4.436 2.255 -2.936 1.00 0.39 H new ATOM 0 HG22 ILE A 25 5.363 2.587 -4.418 1.00 0.39 H new ATOM 0 HG23 ILE A 25 5.021 3.903 -3.269 1.00 0.39 H new ATOM 0 HD11 ILE A 25 1.195 3.279 -1.711 1.00 1.05 H new ATOM 0 HD12 ILE A 25 1.595 1.908 -2.772 1.00 1.05 H new ATOM 0 HD13 ILE A 25 2.864 2.663 -1.779 1.00 1.05 H new ATOM 381 N ALA A 26 4.446 3.003 -7.409 1.00 0.31 N ATOM 382 CA ALA A 26 5.462 2.490 -8.319 1.00 0.36 C ATOM 383 C ALA A 26 6.079 3.617 -9.139 1.00 0.38 C ATOM 384 O ALA A 26 7.299 3.695 -9.290 1.00 0.40 O ATOM 385 CB ALA A 26 4.865 1.434 -9.235 1.00 0.42 C ATOM 0 H ALA A 26 3.512 2.624 -7.565 1.00 0.31 H new ATOM 0 HA ALA A 26 6.252 2.032 -7.724 1.00 0.36 H new ATOM 0 HB1 ALA A 26 5.635 1.060 -9.909 1.00 0.42 H new ATOM 0 HB2 ALA A 26 4.476 0.611 -8.636 1.00 0.42 H new ATOM 0 HB3 ALA A 26 4.055 1.873 -9.817 1.00 0.42 H new ATOM 391 N ASP A 27 5.230 4.500 -9.649 1.00 0.40 N ATOM 392 CA ASP A 27 5.677 5.618 -10.477 1.00 0.47 C ATOM 393 C ASP A 27 6.420 6.651 -9.636 1.00 0.45 C ATOM 394 O ASP A 27 7.374 7.280 -10.097 1.00 0.48 O ATOM 395 CB ASP A 27 4.476 6.272 -11.169 1.00 0.56 C ATOM 396 CG ASP A 27 4.882 7.356 -12.151 1.00 0.72 C ATOM 397 OD1 ASP A 27 5.241 7.023 -13.302 1.00 0.86 O ATOM 398 OD2 ASP A 27 4.859 8.547 -11.768 1.00 0.80 O ATOM 0 H ASP A 27 4.221 4.465 -9.504 1.00 0.40 H new ATOM 0 HA ASP A 27 6.361 5.233 -11.234 1.00 0.47 H new ATOM 0 HB2 ASP A 27 3.905 5.507 -11.695 1.00 0.56 H new ATOM 0 HB3 ASP A 27 3.816 6.700 -10.414 1.00 0.56 H new ATOM 403 N LEU A 28 5.993 6.792 -8.389 1.00 0.42 N ATOM 404 CA LEU A 28 6.590 7.749 -7.469 1.00 0.46 C ATOM 405 C LEU A 28 8.000 7.316 -7.083 1.00 0.44 C ATOM 406 O LEU A 28 8.893 8.144 -6.900 1.00 0.49 O ATOM 407 CB LEU A 28 5.722 7.878 -6.214 1.00 0.49 C ATOM 408 CG LEU A 28 6.234 8.849 -5.149 1.00 0.90 C ATOM 409 CD1 LEU A 28 6.158 10.286 -5.647 1.00 1.69 C ATOM 410 CD2 LEU A 28 5.442 8.683 -3.860 1.00 1.44 C ATOM 0 H LEU A 28 5.228 6.250 -7.989 1.00 0.42 H new ATOM 0 HA LEU A 28 6.649 8.717 -7.967 1.00 0.46 H new ATOM 0 HB2 LEU A 28 4.723 8.193 -6.516 1.00 0.49 H new ATOM 0 HB3 LEU A 28 5.621 6.892 -5.761 1.00 0.49 H new ATOM 0 HG LEU A 28 7.280 8.618 -4.945 1.00 0.90 H new ATOM 0 HD11 LEU A 28 6.527 10.959 -4.873 1.00 1.69 H new ATOM 0 HD12 LEU A 28 6.769 10.393 -6.543 1.00 1.69 H new ATOM 0 HD13 LEU A 28 5.123 10.536 -5.882 1.00 1.69 H new ATOM 0 HD21 LEU A 28 5.817 9.380 -3.110 1.00 1.44 H new ATOM 0 HD22 LEU A 28 4.389 8.888 -4.051 1.00 1.44 H new ATOM 0 HD23 LEU A 28 5.553 7.662 -3.494 1.00 1.44 H new ATOM 422 N LEU A 29 8.195 6.008 -6.972 1.00 0.40 N ATOM 423 CA LEU A 29 9.489 5.456 -6.600 1.00 0.41 C ATOM 424 C LEU A 29 10.296 5.093 -7.843 1.00 0.44 C ATOM 425 O LEU A 29 11.312 4.404 -7.755 1.00 0.48 O ATOM 426 CB LEU A 29 9.300 4.218 -5.721 1.00 0.38 C ATOM 427 CG LEU A 29 8.429 4.424 -4.480 1.00 0.39 C ATOM 428 CD1 LEU A 29 8.281 3.123 -3.712 1.00 0.41 C ATOM 429 CD2 LEU A 29 9.003 5.509 -3.582 1.00 0.49 C ATOM 0 H LEU A 29 7.470 5.309 -7.135 1.00 0.40 H new ATOM 0 HA LEU A 29 10.037 6.212 -6.038 1.00 0.41 H new ATOM 0 HB2 LEU A 29 8.859 3.426 -6.327 1.00 0.38 H new ATOM 0 HB3 LEU A 29 10.281 3.866 -5.402 1.00 0.38 H new ATOM 0 HG LEU A 29 7.442 4.747 -4.812 1.00 0.39 H new ATOM 0 HD11 LEU A 29 7.659 3.288 -2.833 1.00 0.41 H new ATOM 0 HD12 LEU A 29 7.814 2.374 -4.352 1.00 0.41 H new ATOM 0 HD13 LEU A 29 9.264 2.771 -3.400 1.00 0.41 H new ATOM 0 HD21 LEU A 29 8.364 5.634 -2.708 1.00 0.49 H new ATOM 0 HD22 LEU A 29 10.005 5.223 -3.261 1.00 0.49 H new ATOM 0 HD23 LEU A 29 9.053 6.448 -4.133 1.00 0.49 H new ATOM 441 N ASN A 30 9.810 5.548 -9.001 1.00 0.45 N ATOM 442 CA ASN A 30 10.458 5.298 -10.292 1.00 0.51 C ATOM 443 C ASN A 30 10.704 3.809 -10.518 1.00 0.49 C ATOM 444 O ASN A 30 11.677 3.418 -11.161 1.00 0.55 O ATOM 445 CB ASN A 30 11.770 6.079 -10.412 1.00 0.60 C ATOM 446 CG ASN A 30 11.549 7.581 -10.457 1.00 0.79 C ATOM 447 OD1 ASN A 30 10.502 8.054 -10.901 1.00 1.36 O ATOM 448 ND2 ASN A 30 12.538 8.341 -10.017 1.00 1.44 N ATOM 0 H ASN A 30 8.955 6.101 -9.070 1.00 0.45 H new ATOM 0 HA ASN A 30 9.776 5.648 -11.067 1.00 0.51 H new ATOM 0 HB2 ASN A 30 12.414 5.835 -9.567 1.00 0.60 H new ATOM 0 HB3 ASN A 30 12.295 5.765 -11.314 1.00 0.60 H new ATOM 0 HD21 ASN A 30 12.449 9.357 -10.038 1.00 1.44 H new ATOM 0 HD22 ASN A 30 13.390 7.911 -9.656 1.00 1.44 H new ATOM 455 N HIS A 31 9.805 2.992 -9.978 1.00 0.46 N ATOM 456 CA HIS A 31 9.854 1.535 -10.124 1.00 0.50 C ATOM 457 C HIS A 31 11.116 0.924 -9.511 1.00 0.55 C ATOM 458 O HIS A 31 11.549 -0.149 -9.926 1.00 0.67 O ATOM 459 CB HIS A 31 9.736 1.120 -11.598 1.00 0.60 C ATOM 460 CG HIS A 31 8.460 1.556 -12.252 1.00 0.67 C ATOM 461 ND1 HIS A 31 7.273 0.866 -12.135 1.00 1.25 N ATOM 462 CD2 HIS A 31 8.191 2.627 -13.035 1.00 1.11 C ATOM 463 CE1 HIS A 31 6.334 1.491 -12.819 1.00 1.16 C ATOM 464 NE2 HIS A 31 6.863 2.563 -13.372 1.00 0.94 N ATOM 0 H HIS A 31 9.015 3.321 -9.422 1.00 0.46 H new ATOM 0 HA HIS A 31 8.998 1.146 -9.573 1.00 0.50 H new ATOM 0 HB2 HIS A 31 10.577 1.538 -12.151 1.00 0.60 H new ATOM 0 HB3 HIS A 31 9.816 0.035 -11.667 1.00 0.60 H new ATOM 0 HD2 HIS A 31 8.892 3.390 -13.338 1.00 1.11 H new ATOM 0 HE1 HIS A 31 5.305 1.177 -12.910 1.00 1.16 H new ATOM 0 HE2 HIS A 31 6.366 3.236 -13.956 1.00 0.94 H new ATOM 473 N ARG A 32 11.707 1.598 -8.525 1.00 0.53 N ATOM 474 CA ARG A 32 12.821 1.014 -7.780 1.00 0.61 C ATOM 475 C ARG A 32 12.302 -0.079 -6.860 1.00 0.56 C ATOM 476 O ARG A 32 13.031 -0.996 -6.480 1.00 0.66 O ATOM 477 CB ARG A 32 13.568 2.069 -6.959 1.00 0.71 C ATOM 478 CG ARG A 32 14.427 3.005 -7.792 1.00 0.81 C ATOM 479 CD ARG A 32 15.312 3.872 -6.914 1.00 1.64 C ATOM 480 NE ARG A 32 16.204 4.714 -7.704 1.00 2.26 N ATOM 481 CZ ARG A 32 17.450 5.022 -7.352 1.00 3.24 C ATOM 482 NH1 ARG A 32 17.943 4.589 -6.197 1.00 3.73 N ATOM 483 NH2 ARG A 32 18.197 5.773 -8.148 1.00 4.08 N ATOM 0 H ARG A 32 11.438 2.536 -8.227 1.00 0.53 H new ATOM 0 HA ARG A 32 13.523 0.593 -8.500 1.00 0.61 H new ATOM 0 HB2 ARG A 32 12.843 2.660 -6.399 1.00 0.71 H new ATOM 0 HB3 ARG A 32 14.201 1.565 -6.228 1.00 0.71 H new ATOM 0 HG2 ARG A 32 15.047 2.423 -8.474 1.00 0.81 H new ATOM 0 HG3 ARG A 32 13.787 3.639 -8.406 1.00 0.81 H new ATOM 0 HD2 ARG A 32 14.688 4.500 -6.278 1.00 1.64 H new ATOM 0 HD3 ARG A 32 15.902 3.237 -6.254 1.00 1.64 H new ATOM 0 HE ARG A 32 15.850 5.091 -8.583 1.00 2.26 H new ATOM 0 HH11 ARG A 32 17.366 4.019 -5.578 1.00 3.73 H new ATOM 0 HH12 ARG A 32 18.898 4.826 -5.929 1.00 3.73 H new ATOM 0 HH21 ARG A 32 17.817 6.115 -9.031 1.00 4.08 H new ATOM 0 HH22 ARG A 32 19.152 6.009 -7.878 1.00 4.08 H new ATOM 497 N ALA A 33 11.035 0.039 -6.509 1.00 0.48 N ATOM 498 CA ALA A 33 10.352 -0.968 -5.728 1.00 0.45 C ATOM 499 C ALA A 33 9.180 -1.514 -6.526 1.00 0.43 C ATOM 500 O ALA A 33 8.527 -0.774 -7.264 1.00 0.49 O ATOM 501 CB ALA A 33 9.881 -0.388 -4.405 1.00 0.49 C ATOM 0 H ALA A 33 10.452 0.838 -6.759 1.00 0.48 H new ATOM 0 HA ALA A 33 11.042 -1.782 -5.507 1.00 0.45 H new ATOM 0 HB1 ALA A 33 9.369 -1.160 -3.831 1.00 0.49 H new ATOM 0 HB2 ALA A 33 10.740 -0.025 -3.840 1.00 0.49 H new ATOM 0 HB3 ALA A 33 9.195 0.438 -4.593 1.00 0.49 H new ATOM 507 N HIS A 34 8.922 -2.799 -6.390 1.00 0.39 N ATOM 508 CA HIS A 34 7.858 -3.444 -7.133 1.00 0.41 C ATOM 509 C HIS A 34 6.659 -3.651 -6.224 1.00 0.36 C ATOM 510 O HIS A 34 6.807 -4.065 -5.076 1.00 0.34 O ATOM 511 CB HIS A 34 8.341 -4.786 -7.703 1.00 0.48 C ATOM 512 CG HIS A 34 7.411 -5.388 -8.716 1.00 0.59 C ATOM 513 ND1 HIS A 34 7.548 -5.184 -10.072 1.00 0.79 N ATOM 514 CD2 HIS A 34 6.331 -6.192 -8.566 1.00 0.63 C ATOM 515 CE1 HIS A 34 6.594 -5.832 -10.712 1.00 0.89 C ATOM 516 NE2 HIS A 34 5.841 -6.452 -9.822 1.00 0.80 N ATOM 0 H HIS A 34 9.438 -3.421 -5.768 1.00 0.39 H new ATOM 0 HA HIS A 34 7.566 -2.807 -7.968 1.00 0.41 H new ATOM 0 HB2 HIS A 34 9.319 -4.643 -8.162 1.00 0.48 H new ATOM 0 HB3 HIS A 34 8.474 -5.491 -6.882 1.00 0.48 H new ATOM 0 HD2 HIS A 34 5.930 -6.560 -7.633 1.00 0.63 H new ATOM 0 HE1 HIS A 34 6.453 -5.852 -11.783 1.00 0.89 H new ATOM 0 HE2 HIS A 34 5.028 -7.030 -10.033 1.00 0.80 H new ATOM 525 N THR A 35 5.479 -3.367 -6.735 1.00 0.38 N ATOM 526 CA THR A 35 4.274 -3.439 -5.938 1.00 0.36 C ATOM 527 C THR A 35 3.384 -4.588 -6.396 1.00 0.39 C ATOM 528 O THR A 35 3.259 -4.857 -7.593 1.00 0.45 O ATOM 529 CB THR A 35 3.498 -2.113 -6.015 1.00 0.41 C ATOM 530 OG1 THR A 35 3.262 -1.762 -7.388 1.00 0.49 O ATOM 531 CG2 THR A 35 4.281 -0.999 -5.336 1.00 0.41 C ATOM 0 H THR A 35 5.329 -3.083 -7.703 1.00 0.38 H new ATOM 0 HA THR A 35 4.567 -3.620 -4.904 1.00 0.36 H new ATOM 0 HB THR A 35 2.544 -2.241 -5.503 1.00 0.41 H new ATOM 0 HG1 THR A 35 2.897 -0.854 -7.435 1.00 0.49 H new ATOM 0 HG21 THR A 35 3.718 -0.068 -5.399 1.00 0.41 H new ATOM 0 HG22 THR A 35 4.443 -1.254 -4.289 1.00 0.41 H new ATOM 0 HG23 THR A 35 5.243 -0.876 -5.833 1.00 0.41 H new ATOM 539 N ASP A 36 2.785 -5.279 -5.440 1.00 0.38 N ATOM 540 CA ASP A 36 1.922 -6.410 -5.742 1.00 0.44 C ATOM 541 C ASP A 36 0.607 -6.287 -4.990 1.00 0.39 C ATOM 542 O ASP A 36 0.587 -6.249 -3.758 1.00 0.47 O ATOM 543 CB ASP A 36 2.610 -7.730 -5.379 1.00 0.56 C ATOM 544 CG ASP A 36 1.722 -8.933 -5.628 1.00 0.92 C ATOM 545 OD1 ASP A 36 1.541 -9.315 -6.802 1.00 1.07 O ATOM 546 OD2 ASP A 36 1.182 -9.491 -4.652 1.00 1.56 O ATOM 0 H ASP A 36 2.881 -5.076 -4.445 1.00 0.38 H new ATOM 0 HA ASP A 36 1.720 -6.407 -6.813 1.00 0.44 H new ATOM 0 HB2 ASP A 36 3.526 -7.831 -5.961 1.00 0.56 H new ATOM 0 HB3 ASP A 36 2.901 -7.708 -4.329 1.00 0.56 H new ATOM 551 N VAL A 37 -0.481 -6.196 -5.735 1.00 0.37 N ATOM 552 CA VAL A 37 -1.800 -6.094 -5.137 1.00 0.37 C ATOM 553 C VAL A 37 -2.347 -7.471 -4.783 1.00 0.36 C ATOM 554 O VAL A 37 -2.698 -8.264 -5.661 1.00 0.48 O ATOM 555 CB VAL A 37 -2.796 -5.372 -6.069 1.00 0.44 C ATOM 556 CG1 VAL A 37 -4.195 -5.381 -5.471 1.00 0.50 C ATOM 557 CG2 VAL A 37 -2.345 -3.945 -6.339 1.00 0.54 C ATOM 0 H VAL A 37 -0.477 -6.191 -6.755 1.00 0.37 H new ATOM 0 HA VAL A 37 -1.689 -5.505 -4.226 1.00 0.37 H new ATOM 0 HB VAL A 37 -2.822 -5.910 -7.017 1.00 0.44 H new ATOM 0 HG11 VAL A 37 -4.882 -4.867 -6.144 1.00 0.50 H new ATOM 0 HG12 VAL A 37 -4.525 -6.411 -5.333 1.00 0.50 H new ATOM 0 HG13 VAL A 37 -4.182 -4.872 -4.507 1.00 0.50 H new ATOM 0 HG21 VAL A 37 -3.062 -3.455 -6.998 1.00 0.54 H new ATOM 0 HG22 VAL A 37 -2.285 -3.398 -5.398 1.00 0.54 H new ATOM 0 HG23 VAL A 37 -1.364 -3.957 -6.815 1.00 0.54 H new ATOM 567 N VAL A 38 -2.398 -7.755 -3.494 1.00 0.34 N ATOM 568 CA VAL A 38 -3.007 -8.975 -3.002 1.00 0.36 C ATOM 569 C VAL A 38 -4.511 -8.768 -2.902 1.00 0.42 C ATOM 570 O VAL A 38 -4.996 -8.112 -1.981 1.00 0.46 O ATOM 571 CB VAL A 38 -2.450 -9.376 -1.619 1.00 0.39 C ATOM 572 CG1 VAL A 38 -3.029 -10.706 -1.166 1.00 0.45 C ATOM 573 CG2 VAL A 38 -0.930 -9.435 -1.643 1.00 0.46 C ATOM 0 H VAL A 38 -2.021 -7.150 -2.764 1.00 0.34 H new ATOM 0 HA VAL A 38 -2.774 -9.780 -3.699 1.00 0.36 H new ATOM 0 HB VAL A 38 -2.751 -8.612 -0.902 1.00 0.39 H new ATOM 0 HG11 VAL A 38 -2.621 -10.967 -0.189 1.00 0.45 H new ATOM 0 HG12 VAL A 38 -4.114 -10.626 -1.097 1.00 0.45 H new ATOM 0 HG13 VAL A 38 -2.768 -11.481 -1.887 1.00 0.45 H new ATOM 0 HG21 VAL A 38 -0.561 -9.720 -0.657 1.00 0.46 H new ATOM 0 HG22 VAL A 38 -0.606 -10.172 -2.378 1.00 0.46 H new ATOM 0 HG23 VAL A 38 -0.532 -8.456 -1.911 1.00 0.46 H new ATOM 583 N GLY A 39 -5.236 -9.293 -3.873 1.00 0.58 N ATOM 584 CA GLY A 39 -6.664 -9.075 -3.921 1.00 0.74 C ATOM 585 C GLY A 39 -7.434 -10.114 -3.143 1.00 0.69 C ATOM 586 O GLY A 39 -6.844 -10.984 -2.500 1.00 0.84 O ATOM 0 H GLY A 39 -4.862 -9.866 -4.629 1.00 0.58 H new ATOM 0 HA2 GLY A 39 -6.891 -8.086 -3.523 1.00 0.74 H new ATOM 0 HA3 GLY A 39 -6.995 -9.084 -4.959 1.00 0.74 H new ATOM 590 N TYR A 40 -8.751 -10.025 -3.204 1.00 0.73 N ATOM 591 CA TYR A 40 -9.620 -10.976 -2.530 1.00 0.82 C ATOM 592 C TYR A 40 -9.527 -12.324 -3.233 1.00 1.19 C ATOM 593 O TYR A 40 -9.923 -12.457 -4.391 1.00 1.44 O ATOM 594 CB TYR A 40 -11.059 -10.450 -2.551 1.00 0.91 C ATOM 595 CG TYR A 40 -12.005 -11.126 -1.576 1.00 1.21 C ATOM 596 CD1 TYR A 40 -11.798 -11.041 -0.203 1.00 1.29 C ATOM 597 CD2 TYR A 40 -13.089 -11.870 -2.030 1.00 1.66 C ATOM 598 CE1 TYR A 40 -12.641 -11.681 0.686 1.00 1.73 C ATOM 599 CE2 TYR A 40 -13.940 -12.506 -1.144 1.00 2.08 C ATOM 600 CZ TYR A 40 -13.771 -12.318 0.216 1.00 2.09 C ATOM 601 OH TYR A 40 -14.547 -13.052 1.096 1.00 2.57 O ATOM 0 H TYR A 40 -9.247 -9.297 -3.718 1.00 0.73 H new ATOM 0 HA TYR A 40 -9.310 -11.100 -1.492 1.00 0.82 H new ATOM 0 HB2 TYR A 40 -11.042 -9.382 -2.336 1.00 0.91 H new ATOM 0 HB3 TYR A 40 -11.457 -10.566 -3.559 1.00 0.91 H new ATOM 0 HD1 TYR A 40 -10.965 -10.466 0.174 1.00 1.29 H new ATOM 0 HD2 TYR A 40 -13.269 -11.953 -3.092 1.00 1.66 H new ATOM 0 HE1 TYR A 40 -12.416 -11.682 1.742 1.00 1.73 H new ATOM 0 HE2 TYR A 40 -14.730 -13.144 -1.511 1.00 2.08 H new ATOM 0 HH TYR A 40 -15.308 -13.440 0.616 1.00 2.57 H new ATOM 611 N GLY A 41 -8.993 -13.316 -2.539 1.00 1.45 N ATOM 612 CA GLY A 41 -8.741 -14.600 -3.160 1.00 1.91 C ATOM 613 C GLY A 41 -9.858 -15.588 -2.927 1.00 2.10 C ATOM 614 O GLY A 41 -9.704 -16.537 -2.155 1.00 2.74 O ATOM 0 H GLY A 41 -8.729 -13.256 -1.556 1.00 1.45 H new ATOM 0 HA2 GLY A 41 -8.603 -14.460 -4.232 1.00 1.91 H new ATOM 0 HA3 GLY A 41 -7.810 -15.011 -2.770 1.00 1.91 H new ATOM 618 N GLY A 42 -10.986 -15.366 -3.588 1.00 2.18 N ATOM 619 CA GLY A 42 -12.122 -16.258 -3.456 1.00 2.55 C ATOM 620 C GLY A 42 -12.900 -16.011 -2.180 1.00 2.43 C ATOM 621 O GLY A 42 -14.073 -15.643 -2.219 1.00 2.95 O ATOM 0 H GLY A 42 -11.135 -14.578 -4.218 1.00 2.18 H new ATOM 0 HA2 GLY A 42 -12.783 -16.130 -4.313 1.00 2.55 H new ATOM 0 HA3 GLY A 42 -11.774 -17.291 -3.473 1.00 2.55 H new ATOM 625 N HIS A 43 -12.246 -16.220 -1.049 1.00 2.38 N ATOM 626 CA HIS A 43 -12.856 -15.976 0.249 1.00 2.64 C ATOM 627 C HIS A 43 -11.788 -15.539 1.240 1.00 2.45 C ATOM 628 O HIS A 43 -12.058 -14.787 2.175 1.00 2.82 O ATOM 629 CB HIS A 43 -13.574 -17.235 0.754 1.00 3.41 C ATOM 630 CG HIS A 43 -14.440 -17.000 1.959 1.00 4.12 C ATOM 631 ND1 HIS A 43 -15.774 -16.676 1.865 1.00 4.78 N ATOM 632 CD2 HIS A 43 -14.161 -17.052 3.285 1.00 4.72 C ATOM 633 CE1 HIS A 43 -16.280 -16.539 3.075 1.00 5.56 C ATOM 634 NE2 HIS A 43 -15.323 -16.762 3.956 1.00 5.56 N ATOM 0 H HIS A 43 -11.286 -16.561 -1.004 1.00 2.38 H new ATOM 0 HA HIS A 43 -13.596 -15.182 0.149 1.00 2.64 H new ATOM 0 HB2 HIS A 43 -14.189 -17.638 -0.051 1.00 3.41 H new ATOM 0 HB3 HIS A 43 -12.830 -17.993 0.996 1.00 3.41 H new ATOM 0 HD2 HIS A 43 -13.204 -17.279 3.730 1.00 4.72 H new ATOM 0 HE1 HIS A 43 -17.304 -16.287 3.306 1.00 5.56 H new ATOM 0 HE2 HIS A 43 -15.429 -16.725 4.970 1.00 5.56 H new ATOM 643 N GLY A 44 -10.573 -16.020 1.022 1.00 2.45 N ATOM 644 CA GLY A 44 -9.458 -15.636 1.858 1.00 2.61 C ATOM 645 C GLY A 44 -8.571 -14.623 1.170 1.00 2.52 C ATOM 646 O GLY A 44 -9.014 -13.940 0.244 1.00 3.24 O ATOM 0 H GLY A 44 -10.340 -16.674 0.275 1.00 2.45 H new ATOM 0 HA2 GLY A 44 -9.830 -15.219 2.794 1.00 2.61 H new ATOM 0 HA3 GLY A 44 -8.873 -16.519 2.114 1.00 2.61 H new ATOM 650 N HIS A 45 -7.316 -14.547 1.610 1.00 2.13 N ATOM 651 CA HIS A 45 -6.343 -13.598 1.066 1.00 2.41 C ATOM 652 C HIS A 45 -6.780 -12.163 1.344 1.00 1.96 C ATOM 653 O HIS A 45 -7.497 -11.556 0.548 1.00 1.99 O ATOM 654 CB HIS A 45 -6.135 -13.805 -0.442 1.00 3.13 C ATOM 655 CG HIS A 45 -5.400 -15.064 -0.795 1.00 3.69 C ATOM 656 ND1 HIS A 45 -4.720 -15.229 -1.984 1.00 4.34 N ATOM 657 CD2 HIS A 45 -5.244 -16.224 -0.114 1.00 4.18 C ATOM 658 CE1 HIS A 45 -4.181 -16.433 -2.017 1.00 4.97 C ATOM 659 NE2 HIS A 45 -4.483 -17.058 -0.894 1.00 4.90 N ATOM 0 H HIS A 45 -6.944 -15.140 2.352 1.00 2.13 H new ATOM 0 HA HIS A 45 -5.392 -13.782 1.565 1.00 2.41 H new ATOM 0 HB2 HIS A 45 -7.108 -13.816 -0.933 1.00 3.13 H new ATOM 0 HB3 HIS A 45 -5.586 -12.953 -0.842 1.00 3.13 H new ATOM 0 HD2 HIS A 45 -5.645 -16.451 0.863 1.00 4.18 H new ATOM 0 HE1 HIS A 45 -3.592 -16.839 -2.826 1.00 4.97 H new ATOM 0 HE2 HIS A 45 -4.197 -18.005 -0.647 1.00 4.90 H new ATOM 668 N PRO A 46 -6.359 -11.605 2.491 1.00 1.70 N ATOM 669 CA PRO A 46 -6.714 -10.238 2.875 1.00 1.42 C ATOM 670 C PRO A 46 -6.194 -9.218 1.869 1.00 1.09 C ATOM 671 O PRO A 46 -5.016 -9.235 1.508 1.00 1.09 O ATOM 672 CB PRO A 46 -6.035 -10.046 4.239 1.00 1.54 C ATOM 673 CG PRO A 46 -4.981 -11.101 4.304 1.00 1.86 C ATOM 674 CD PRO A 46 -5.502 -12.256 3.498 1.00 1.87 C ATOM 0 HA PRO A 46 -7.793 -10.091 2.911 1.00 1.42 H new ATOM 0 HB2 PRO A 46 -5.601 -9.050 4.326 1.00 1.54 H new ATOM 0 HB3 PRO A 46 -6.751 -10.154 5.054 1.00 1.54 H new ATOM 0 HG2 PRO A 46 -4.038 -10.736 3.898 1.00 1.86 H new ATOM 0 HG3 PRO A 46 -4.790 -11.399 5.335 1.00 1.86 H new ATOM 0 HD2 PRO A 46 -4.693 -12.820 3.034 1.00 1.87 H new ATOM 0 HD3 PRO A 46 -6.066 -12.956 4.115 1.00 1.87 H new ATOM 682 N THR A 47 -7.082 -8.344 1.415 1.00 0.89 N ATOM 683 CA THR A 47 -6.735 -7.353 0.412 1.00 0.62 C ATOM 684 C THR A 47 -5.742 -6.333 0.966 1.00 0.51 C ATOM 685 O THR A 47 -5.992 -5.694 1.991 1.00 0.59 O ATOM 686 CB THR A 47 -7.999 -6.641 -0.098 1.00 0.62 C ATOM 687 OG1 THR A 47 -8.995 -7.620 -0.422 1.00 0.76 O ATOM 688 CG2 THR A 47 -7.697 -5.797 -1.330 1.00 0.55 C ATOM 0 H THR A 47 -8.052 -8.303 1.729 1.00 0.89 H new ATOM 0 HA THR A 47 -6.260 -7.871 -0.422 1.00 0.62 H new ATOM 0 HB THR A 47 -8.363 -5.979 0.688 1.00 0.62 H new ATOM 0 HG1 THR A 47 -9.803 -7.170 -0.746 1.00 0.76 H new ATOM 0 HG21 THR A 47 -8.610 -5.306 -1.667 1.00 0.55 H new ATOM 0 HG22 THR A 47 -6.950 -5.043 -1.080 1.00 0.55 H new ATOM 0 HG23 THR A 47 -7.314 -6.437 -2.125 1.00 0.55 H new ATOM 696 N GLN A 48 -4.617 -6.198 0.279 1.00 0.40 N ATOM 697 CA GLN A 48 -3.532 -5.332 0.712 1.00 0.36 C ATOM 698 C GLN A 48 -2.542 -5.154 -0.424 1.00 0.33 C ATOM 699 O GLN A 48 -2.580 -5.894 -1.405 1.00 0.40 O ATOM 700 CB GLN A 48 -2.821 -5.937 1.927 1.00 0.36 C ATOM 701 CG GLN A 48 -2.408 -7.389 1.725 1.00 0.39 C ATOM 702 CD GLN A 48 -1.736 -7.987 2.944 1.00 0.49 C ATOM 703 OE1 GLN A 48 -1.025 -7.307 3.680 1.00 1.06 O ATOM 704 NE2 GLN A 48 -1.981 -9.265 3.181 1.00 1.04 N ATOM 0 H GLN A 48 -4.431 -6.687 -0.596 1.00 0.40 H new ATOM 0 HA GLN A 48 -3.943 -4.363 0.993 1.00 0.36 H new ATOM 0 HB2 GLN A 48 -1.935 -5.343 2.153 1.00 0.36 H new ATOM 0 HB3 GLN A 48 -3.479 -5.871 2.794 1.00 0.36 H new ATOM 0 HG2 GLN A 48 -3.289 -7.980 1.475 1.00 0.39 H new ATOM 0 HG3 GLN A 48 -1.729 -7.453 0.874 1.00 0.39 H new ATOM 0 HE21 GLN A 48 -2.577 -9.796 2.546 1.00 1.04 H new ATOM 0 HE22 GLN A 48 -1.574 -9.719 3.999 1.00 1.04 H new ATOM 713 N VAL A 49 -1.664 -4.178 -0.303 1.00 0.29 N ATOM 714 CA VAL A 49 -0.618 -3.999 -1.288 1.00 0.29 C ATOM 715 C VAL A 49 0.747 -4.147 -0.627 1.00 0.28 C ATOM 716 O VAL A 49 1.062 -3.472 0.356 1.00 0.30 O ATOM 717 CB VAL A 49 -0.731 -2.641 -2.027 1.00 0.32 C ATOM 718 CG1 VAL A 49 -0.597 -1.468 -1.070 1.00 0.32 C ATOM 719 CG2 VAL A 49 0.304 -2.545 -3.137 1.00 0.36 C ATOM 0 H VAL A 49 -1.654 -3.502 0.461 1.00 0.29 H new ATOM 0 HA VAL A 49 -0.737 -4.776 -2.043 1.00 0.29 H new ATOM 0 HB VAL A 49 -1.725 -2.592 -2.472 1.00 0.32 H new ATOM 0 HG11 VAL A 49 -0.682 -0.534 -1.625 1.00 0.32 H new ATOM 0 HG12 VAL A 49 -1.387 -1.518 -0.321 1.00 0.32 H new ATOM 0 HG13 VAL A 49 0.374 -1.510 -0.577 1.00 0.32 H new ATOM 0 HG21 VAL A 49 0.207 -1.584 -3.643 1.00 0.36 H new ATOM 0 HG22 VAL A 49 1.304 -2.632 -2.711 1.00 0.36 H new ATOM 0 HG23 VAL A 49 0.144 -3.350 -3.854 1.00 0.36 H new ATOM 729 N ARG A 50 1.534 -5.074 -1.139 1.00 0.31 N ATOM 730 CA ARG A 50 2.860 -5.315 -0.604 1.00 0.30 C ATOM 731 C ARG A 50 3.911 -4.708 -1.516 1.00 0.27 C ATOM 732 O ARG A 50 3.872 -4.884 -2.736 1.00 0.30 O ATOM 733 CB ARG A 50 3.108 -6.815 -0.405 1.00 0.34 C ATOM 734 CG ARG A 50 2.882 -7.655 -1.652 1.00 0.39 C ATOM 735 CD ARG A 50 3.158 -9.125 -1.390 1.00 0.52 C ATOM 736 NE ARG A 50 2.800 -9.963 -2.533 1.00 1.34 N ATOM 737 CZ ARG A 50 3.313 -11.169 -2.766 1.00 1.60 C ATOM 738 NH1 ARG A 50 4.247 -11.668 -1.967 1.00 1.15 N ATOM 739 NH2 ARG A 50 2.893 -11.870 -3.809 1.00 2.62 N ATOM 0 H ARG A 50 1.278 -5.672 -1.924 1.00 0.31 H new ATOM 0 HA ARG A 50 2.930 -4.836 0.372 1.00 0.30 H new ATOM 0 HB2 ARG A 50 4.133 -6.960 -0.064 1.00 0.34 H new ATOM 0 HB3 ARG A 50 2.454 -7.178 0.388 1.00 0.34 H new ATOM 0 HG2 ARG A 50 1.854 -7.532 -1.994 1.00 0.39 H new ATOM 0 HG3 ARG A 50 3.529 -7.299 -2.454 1.00 0.39 H new ATOM 0 HD2 ARG A 50 4.215 -9.260 -1.159 1.00 0.52 H new ATOM 0 HD3 ARG A 50 2.596 -9.448 -0.514 1.00 0.52 H new ATOM 0 HE ARG A 50 2.113 -9.600 -3.194 1.00 1.34 H new ATOM 0 HH11 ARG A 50 4.577 -11.127 -1.168 1.00 1.15 H new ATOM 0 HH12 ARG A 50 4.635 -12.593 -2.152 1.00 1.15 H new ATOM 0 HH21 ARG A 50 2.180 -11.485 -4.429 1.00 2.62 H new ATOM 0 HH22 ARG A 50 3.283 -12.795 -3.992 1.00 2.62 H new ATOM 753 N ILE A 51 4.829 -3.972 -0.920 1.00 0.24 N ATOM 754 CA ILE A 51 5.888 -3.327 -1.669 1.00 0.23 C ATOM 755 C ILE A 51 7.213 -4.010 -1.374 1.00 0.24 C ATOM 756 O ILE A 51 7.643 -4.088 -0.224 1.00 0.27 O ATOM 757 CB ILE A 51 5.995 -1.825 -1.324 1.00 0.28 C ATOM 758 CG1 ILE A 51 4.616 -1.162 -1.414 1.00 0.34 C ATOM 759 CG2 ILE A 51 6.977 -1.136 -2.263 1.00 0.31 C ATOM 760 CD1 ILE A 51 4.619 0.311 -1.067 1.00 0.42 C ATOM 0 H ILE A 51 4.862 -3.806 0.086 1.00 0.24 H new ATOM 0 HA ILE A 51 5.650 -3.415 -2.729 1.00 0.23 H new ATOM 0 HB ILE A 51 6.364 -1.726 -0.303 1.00 0.28 H new ATOM 0 HG12 ILE A 51 4.230 -1.286 -2.426 1.00 0.34 H new ATOM 0 HG13 ILE A 51 3.930 -1.681 -0.745 1.00 0.34 H new ATOM 0 HG21 ILE A 51 7.043 -0.078 -2.009 1.00 0.31 H new ATOM 0 HG22 ILE A 51 7.960 -1.595 -2.162 1.00 0.31 H new ATOM 0 HG23 ILE A 51 6.632 -1.241 -3.291 1.00 0.31 H new ATOM 0 HD11 ILE A 51 3.607 0.707 -1.154 1.00 0.42 H new ATOM 0 HD12 ILE A 51 4.974 0.443 -0.045 1.00 0.42 H new ATOM 0 HD13 ILE A 51 5.278 0.845 -1.752 1.00 0.42 H new ATOM 772 N VAL A 52 7.837 -4.528 -2.415 1.00 0.24 N ATOM 773 CA VAL A 52 9.108 -5.219 -2.291 1.00 0.30 C ATOM 774 C VAL A 52 10.155 -4.487 -3.114 1.00 0.34 C ATOM 775 O VAL A 52 9.893 -4.109 -4.255 1.00 0.33 O ATOM 776 CB VAL A 52 9.002 -6.684 -2.782 1.00 0.36 C ATOM 777 CG1 VAL A 52 10.290 -7.453 -2.518 1.00 0.46 C ATOM 778 CG2 VAL A 52 7.814 -7.383 -2.138 1.00 0.38 C ATOM 0 H VAL A 52 7.479 -4.482 -3.369 1.00 0.24 H new ATOM 0 HA VAL A 52 9.392 -5.232 -1.239 1.00 0.30 H new ATOM 0 HB VAL A 52 8.845 -6.662 -3.860 1.00 0.36 H new ATOM 0 HG11 VAL A 52 10.182 -8.477 -2.875 1.00 0.46 H new ATOM 0 HG12 VAL A 52 11.115 -6.971 -3.043 1.00 0.46 H new ATOM 0 HG13 VAL A 52 10.496 -7.461 -1.448 1.00 0.46 H new ATOM 0 HG21 VAL A 52 7.758 -8.411 -2.497 1.00 0.38 H new ATOM 0 HG22 VAL A 52 7.935 -7.383 -1.055 1.00 0.38 H new ATOM 0 HG23 VAL A 52 6.896 -6.857 -2.400 1.00 0.38 H new ATOM 788 N ALA A 53 11.338 -4.291 -2.558 1.00 0.42 N ATOM 789 CA ALA A 53 12.367 -3.532 -3.250 1.00 0.53 C ATOM 790 C ALA A 53 13.637 -4.350 -3.414 1.00 0.73 C ATOM 791 O ALA A 53 14.372 -4.574 -2.451 1.00 0.93 O ATOM 792 CB ALA A 53 12.665 -2.228 -2.523 1.00 0.70 C ATOM 0 H ALA A 53 11.609 -4.642 -1.639 1.00 0.42 H new ATOM 0 HA ALA A 53 11.987 -3.293 -4.243 1.00 0.53 H new ATOM 0 HB1 ALA A 53 13.438 -1.680 -3.061 1.00 0.70 H new ATOM 0 HB2 ALA A 53 11.759 -1.624 -2.474 1.00 0.70 H new ATOM 0 HB3 ALA A 53 13.012 -2.446 -1.513 1.00 0.70 H new ATOM 798 N PRO A 54 13.893 -4.839 -4.635 1.00 0.85 N ATOM 799 CA PRO A 54 15.136 -5.506 -4.965 1.00 1.12 C ATOM 800 C PRO A 54 16.194 -4.497 -5.400 1.00 1.33 C ATOM 801 O PRO A 54 15.910 -3.569 -6.162 1.00 1.67 O ATOM 802 CB PRO A 54 14.753 -6.434 -6.124 1.00 1.38 C ATOM 803 CG PRO A 54 13.455 -5.915 -6.674 1.00 1.38 C ATOM 804 CD PRO A 54 12.989 -4.780 -5.789 1.00 0.90 C ATOM 0 HA PRO A 54 15.566 -6.043 -4.120 1.00 1.12 H new ATOM 0 HB2 PRO A 54 15.527 -6.436 -6.892 1.00 1.38 H new ATOM 0 HB3 PRO A 54 14.645 -7.462 -5.778 1.00 1.38 H new ATOM 0 HG2 PRO A 54 13.588 -5.569 -7.699 1.00 1.38 H new ATOM 0 HG3 PRO A 54 12.708 -6.709 -6.700 1.00 1.38 H new ATOM 0 HD2 PRO A 54 13.057 -3.820 -6.301 1.00 0.90 H new ATOM 0 HD3 PRO A 54 11.949 -4.908 -5.489 1.00 0.90 H new ATOM 812 N HIS A 55 17.410 -4.668 -4.916 1.00 1.70 N ATOM 813 CA HIS A 55 18.475 -3.724 -5.205 1.00 2.07 C ATOM 814 C HIS A 55 19.352 -4.218 -6.350 1.00 2.00 C ATOM 815 O HIS A 55 20.355 -4.898 -6.138 1.00 2.68 O ATOM 816 CB HIS A 55 19.315 -3.423 -3.946 1.00 3.16 C ATOM 817 CG HIS A 55 19.863 -4.630 -3.239 1.00 3.95 C ATOM 818 ND1 HIS A 55 21.159 -5.075 -3.395 1.00 4.65 N ATOM 819 CD2 HIS A 55 19.287 -5.468 -2.347 1.00 4.64 C ATOM 820 CE1 HIS A 55 21.353 -6.132 -2.630 1.00 5.54 C ATOM 821 NE2 HIS A 55 20.234 -6.390 -1.985 1.00 5.53 N ATOM 0 H HIS A 55 17.685 -5.450 -4.322 1.00 1.70 H new ATOM 0 HA HIS A 55 18.012 -2.790 -5.521 1.00 2.07 H new ATOM 0 HB2 HIS A 55 20.147 -2.779 -4.230 1.00 3.16 H new ATOM 0 HB3 HIS A 55 18.700 -2.859 -3.245 1.00 3.16 H new ATOM 0 HD2 HIS A 55 18.270 -5.419 -1.987 1.00 4.64 H new ATOM 0 HE1 HIS A 55 22.273 -6.691 -2.547 1.00 5.54 H new ATOM 0 HE2 HIS A 55 20.095 -7.153 -1.323 1.00 5.53 H new ATOM 830 N ALA A 56 18.948 -3.891 -7.573 1.00 2.11 N ATOM 831 CA ALA A 56 19.764 -4.176 -8.746 1.00 2.93 C ATOM 832 C ALA A 56 21.066 -3.398 -8.659 1.00 3.03 C ATOM 833 O ALA A 56 22.130 -3.880 -9.047 1.00 3.40 O ATOM 834 CB ALA A 56 19.016 -3.822 -10.019 1.00 3.83 C ATOM 0 H ALA A 56 18.062 -3.429 -7.777 1.00 2.11 H new ATOM 0 HA ALA A 56 19.986 -5.243 -8.773 1.00 2.93 H new ATOM 0 HB1 ALA A 56 19.643 -4.043 -10.883 1.00 3.83 H new ATOM 0 HB2 ALA A 56 18.099 -4.408 -10.077 1.00 3.83 H new ATOM 0 HB3 ALA A 56 18.768 -2.761 -10.012 1.00 3.83 H new ATOM 840 N GLU A 57 20.960 -2.185 -8.141 1.00 3.26 N ATOM 841 CA GLU A 57 22.122 -1.372 -7.833 1.00 3.76 C ATOM 842 C GLU A 57 22.840 -1.971 -6.633 1.00 3.61 C ATOM 843 O GLU A 57 22.195 -2.437 -5.690 1.00 3.99 O ATOM 844 CB GLU A 57 21.686 0.058 -7.515 1.00 4.58 C ATOM 845 CG GLU A 57 20.932 0.737 -8.646 1.00 5.31 C ATOM 846 CD GLU A 57 20.191 1.972 -8.185 1.00 5.69 C ATOM 847 OE1 GLU A 57 20.849 2.996 -7.899 1.00 6.04 O ATOM 848 OE2 GLU A 57 18.945 1.922 -8.106 1.00 5.97 O ATOM 0 H GLU A 57 20.069 -1.739 -7.923 1.00 3.26 H new ATOM 0 HA GLU A 57 22.794 -1.352 -8.691 1.00 3.76 H new ATOM 0 HB2 GLU A 57 21.055 0.046 -6.626 1.00 4.58 H new ATOM 0 HB3 GLU A 57 22.568 0.651 -7.272 1.00 4.58 H new ATOM 0 HG2 GLU A 57 21.634 1.011 -9.434 1.00 5.31 H new ATOM 0 HG3 GLU A 57 20.223 0.032 -9.081 1.00 5.31 H new ATOM 855 N HIS A 58 24.161 -1.961 -6.662 1.00 3.56 N ATOM 856 CA HIS A 58 24.941 -2.542 -5.576 1.00 3.76 C ATOM 857 C HIS A 58 25.046 -1.575 -4.405 1.00 3.57 C ATOM 858 O HIS A 58 26.136 -1.151 -4.016 1.00 4.09 O ATOM 859 CB HIS A 58 26.333 -2.972 -6.058 1.00 4.54 C ATOM 860 CG HIS A 58 26.300 -4.174 -6.953 1.00 5.13 C ATOM 861 ND1 HIS A 58 26.645 -5.437 -6.528 1.00 5.69 N ATOM 862 CD2 HIS A 58 25.945 -4.303 -8.255 1.00 5.69 C ATOM 863 CE1 HIS A 58 26.501 -6.290 -7.526 1.00 6.45 C ATOM 864 NE2 HIS A 58 26.076 -5.628 -8.585 1.00 6.46 N ATOM 0 H HIS A 58 24.716 -1.561 -7.419 1.00 3.56 H new ATOM 0 HA HIS A 58 24.418 -3.435 -5.233 1.00 3.76 H new ATOM 0 HB2 HIS A 58 26.799 -2.143 -6.590 1.00 4.54 H new ATOM 0 HB3 HIS A 58 26.960 -3.188 -5.193 1.00 4.54 H new ATOM 0 HD2 HIS A 58 25.619 -3.509 -8.911 1.00 5.69 H new ATOM 0 HE1 HIS A 58 26.698 -7.351 -7.482 1.00 6.45 H new ATOM 0 HE2 HIS A 58 25.877 -6.035 -9.499 1.00 6.46 H new ATOM 873 N VAL A 59 23.891 -1.231 -3.851 1.00 3.30 N ATOM 874 CA VAL A 59 23.824 -0.388 -2.672 1.00 3.48 C ATOM 875 C VAL A 59 23.851 -1.270 -1.432 1.00 2.89 C ATOM 876 O VAL A 59 22.820 -1.533 -0.808 1.00 3.24 O ATOM 877 CB VAL A 59 22.554 0.490 -2.656 1.00 4.38 C ATOM 878 CG1 VAL A 59 22.621 1.505 -1.525 1.00 5.11 C ATOM 879 CG2 VAL A 59 22.363 1.192 -3.995 1.00 5.10 C ATOM 0 H VAL A 59 22.982 -1.528 -4.206 1.00 3.30 H new ATOM 0 HA VAL A 59 24.683 0.282 -2.686 1.00 3.48 H new ATOM 0 HB VAL A 59 21.694 -0.159 -2.487 1.00 4.38 H new ATOM 0 HG11 VAL A 59 21.718 2.115 -1.529 1.00 5.11 H new ATOM 0 HG12 VAL A 59 22.702 0.983 -0.572 1.00 5.11 H new ATOM 0 HG13 VAL A 59 23.492 2.146 -1.662 1.00 5.11 H new ATOM 0 HG21 VAL A 59 21.462 1.805 -3.959 1.00 5.10 H new ATOM 0 HG22 VAL A 59 23.225 1.827 -4.199 1.00 5.10 H new ATOM 0 HG23 VAL A 59 22.265 0.448 -4.785 1.00 5.10 H new ATOM 889 N ARG A 60 25.036 -1.753 -1.107 1.00 2.60 N ATOM 890 CA ARG A 60 25.221 -2.643 0.026 1.00 2.50 C ATOM 891 C ARG A 60 25.204 -1.847 1.329 1.00 2.31 C ATOM 892 O ARG A 60 26.246 -1.590 1.936 1.00 2.94 O ATOM 893 CB ARG A 60 26.537 -3.420 -0.127 1.00 3.03 C ATOM 894 CG ARG A 60 26.807 -4.429 0.979 1.00 3.53 C ATOM 895 CD ARG A 60 25.700 -5.468 1.101 1.00 4.11 C ATOM 896 NE ARG A 60 26.030 -6.486 2.096 1.00 4.48 N ATOM 897 CZ ARG A 60 25.237 -7.506 2.421 1.00 5.30 C ATOM 898 NH1 ARG A 60 24.039 -7.630 1.870 1.00 5.79 N ATOM 899 NH2 ARG A 60 25.645 -8.407 3.303 1.00 5.97 N ATOM 0 H ARG A 60 25.893 -1.541 -1.617 1.00 2.60 H new ATOM 0 HA ARG A 60 24.401 -3.360 0.056 1.00 2.50 H new ATOM 0 HB2 ARG A 60 26.526 -3.943 -1.083 1.00 3.03 H new ATOM 0 HB3 ARG A 60 27.362 -2.709 -0.162 1.00 3.03 H new ATOM 0 HG2 ARG A 60 27.754 -4.932 0.784 1.00 3.53 H new ATOM 0 HG3 ARG A 60 26.914 -3.904 1.928 1.00 3.53 H new ATOM 0 HD2 ARG A 60 24.767 -4.977 1.377 1.00 4.11 H new ATOM 0 HD3 ARG A 60 25.536 -5.943 0.133 1.00 4.11 H new ATOM 0 HE ARG A 60 26.928 -6.411 2.574 1.00 4.48 H new ATOM 0 HH11 ARG A 60 23.716 -6.941 1.190 1.00 5.79 H new ATOM 0 HH12 ARG A 60 23.439 -8.414 2.125 1.00 5.79 H new ATOM 0 HH21 ARG A 60 26.566 -8.319 3.733 1.00 5.97 H new ATOM 0 HH22 ARG A 60 25.038 -9.188 3.552 1.00 5.97 H new ATOM 913 N GLY A 61 24.012 -1.434 1.729 1.00 1.94 N ATOM 914 CA GLY A 61 23.851 -0.730 2.981 1.00 1.93 C ATOM 915 C GLY A 61 23.387 -1.653 4.084 1.00 1.61 C ATOM 916 O GLY A 61 24.178 -2.061 4.934 1.00 1.76 O ATOM 0 H GLY A 61 23.149 -1.575 1.205 1.00 1.94 H new ATOM 0 HA2 GLY A 61 24.798 -0.271 3.265 1.00 1.93 H new ATOM 0 HA3 GLY A 61 23.130 0.078 2.855 1.00 1.93 H new ATOM 920 N TYR A 62 22.109 -1.997 4.070 1.00 1.30 N ATOM 921 CA TYR A 62 21.563 -2.903 5.069 1.00 1.07 C ATOM 922 C TYR A 62 21.355 -4.284 4.457 1.00 0.90 C ATOM 923 O TYR A 62 20.864 -4.402 3.333 1.00 0.91 O ATOM 924 CB TYR A 62 20.238 -2.367 5.626 1.00 1.04 C ATOM 925 CG TYR A 62 20.309 -0.939 6.134 1.00 1.31 C ATOM 926 CD1 TYR A 62 21.071 -0.603 7.250 1.00 1.54 C ATOM 927 CD2 TYR A 62 19.611 0.080 5.490 1.00 1.51 C ATOM 928 CE1 TYR A 62 21.132 0.701 7.708 1.00 1.83 C ATOM 929 CE2 TYR A 62 19.670 1.384 5.944 1.00 1.79 C ATOM 930 CZ TYR A 62 20.430 1.688 7.051 1.00 1.91 C ATOM 931 OH TYR A 62 20.490 2.988 7.504 1.00 2.22 O ATOM 0 H TYR A 62 21.433 -1.665 3.382 1.00 1.30 H new ATOM 0 HA TYR A 62 22.273 -2.978 5.893 1.00 1.07 H new ATOM 0 HB2 TYR A 62 19.479 -2.426 4.846 1.00 1.04 H new ATOM 0 HB3 TYR A 62 19.910 -3.014 6.440 1.00 1.04 H new ATOM 0 HD1 TYR A 62 21.624 -1.374 7.767 1.00 1.54 H new ATOM 0 HD2 TYR A 62 19.013 -0.153 4.621 1.00 1.51 H new ATOM 0 HE1 TYR A 62 21.727 0.944 8.576 1.00 1.83 H new ATOM 0 HE2 TYR A 62 19.122 2.161 5.432 1.00 1.79 H new ATOM 0 HH TYR A 62 19.940 3.560 6.929 1.00 2.22 H new ATOM 941 N ALA A 63 21.722 -5.324 5.196 1.00 0.92 N ATOM 942 CA ALA A 63 21.619 -6.695 4.704 1.00 0.91 C ATOM 943 C ALA A 63 20.224 -7.269 4.944 1.00 0.78 C ATOM 944 O ALA A 63 20.071 -8.362 5.494 1.00 0.94 O ATOM 945 CB ALA A 63 22.675 -7.567 5.366 1.00 1.16 C ATOM 0 H ALA A 63 22.095 -5.245 6.142 1.00 0.92 H new ATOM 0 HA ALA A 63 21.791 -6.683 3.628 1.00 0.91 H new ATOM 0 HB1 ALA A 63 22.590 -8.588 4.993 1.00 1.16 H new ATOM 0 HB2 ALA A 63 23.666 -7.177 5.135 1.00 1.16 H new ATOM 0 HB3 ALA A 63 22.526 -7.562 6.446 1.00 1.16 H new ATOM 951 N HIS A 64 19.207 -6.521 4.545 1.00 0.60 N ATOM 952 CA HIS A 64 17.827 -6.966 4.681 1.00 0.51 C ATOM 953 C HIS A 64 17.029 -6.559 3.453 1.00 0.47 C ATOM 954 O HIS A 64 16.966 -5.375 3.116 1.00 0.48 O ATOM 955 CB HIS A 64 17.161 -6.371 5.930 1.00 0.54 C ATOM 956 CG HIS A 64 17.820 -6.743 7.222 1.00 0.73 C ATOM 957 ND1 HIS A 64 17.483 -7.866 7.947 1.00 0.99 N ATOM 958 CD2 HIS A 64 18.801 -6.128 7.922 1.00 1.01 C ATOM 959 CE1 HIS A 64 18.229 -7.925 9.033 1.00 1.13 C ATOM 960 NE2 HIS A 64 19.036 -6.883 9.041 1.00 1.10 N ATOM 0 H HIS A 64 19.311 -5.599 4.122 1.00 0.60 H new ATOM 0 HA HIS A 64 17.840 -8.051 4.780 1.00 0.51 H new ATOM 0 HB2 HIS A 64 17.154 -5.285 5.840 1.00 0.54 H new ATOM 0 HB3 HIS A 64 16.121 -6.695 5.961 1.00 0.54 H new ATOM 0 HD2 HIS A 64 19.305 -5.212 7.650 1.00 1.01 H new ATOM 0 HE1 HIS A 64 18.186 -8.696 9.788 1.00 1.13 H new ATOM 0 HE2 HIS A 64 19.724 -6.673 9.764 1.00 1.10 H new ATOM 969 N PRO A 65 16.425 -7.532 2.757 1.00 0.58 N ATOM 970 CA PRO A 65 15.568 -7.250 1.606 1.00 0.64 C ATOM 971 C PRO A 65 14.309 -6.500 2.026 1.00 0.53 C ATOM 972 O PRO A 65 13.672 -6.843 3.026 1.00 0.54 O ATOM 973 CB PRO A 65 15.218 -8.636 1.058 1.00 0.84 C ATOM 974 CG PRO A 65 15.428 -9.572 2.198 1.00 1.08 C ATOM 975 CD PRO A 65 16.529 -8.976 3.031 1.00 0.77 C ATOM 0 HA PRO A 65 16.059 -6.615 0.868 1.00 0.64 H new ATOM 0 HB2 PRO A 65 14.187 -8.671 0.705 1.00 0.84 H new ATOM 0 HB3 PRO A 65 15.854 -8.897 0.212 1.00 0.84 H new ATOM 0 HG2 PRO A 65 14.515 -9.685 2.783 1.00 1.08 H new ATOM 0 HG3 PRO A 65 15.703 -10.565 1.841 1.00 1.08 H new ATOM 0 HD2 PRO A 65 16.394 -9.194 4.090 1.00 0.77 H new ATOM 0 HD3 PRO A 65 17.505 -9.369 2.747 1.00 0.77 H new ATOM 983 N LEU A 66 13.957 -5.477 1.265 1.00 0.50 N ATOM 984 CA LEU A 66 12.837 -4.621 1.612 1.00 0.44 C ATOM 985 C LEU A 66 11.514 -5.307 1.287 1.00 0.35 C ATOM 986 O LEU A 66 11.326 -5.836 0.188 1.00 0.37 O ATOM 987 CB LEU A 66 12.958 -3.283 0.873 1.00 0.52 C ATOM 988 CG LEU A 66 12.061 -2.140 1.373 1.00 0.71 C ATOM 989 CD1 LEU A 66 12.638 -0.801 0.944 1.00 1.20 C ATOM 990 CD2 LEU A 66 10.641 -2.280 0.845 1.00 1.05 C ATOM 0 H LEU A 66 14.433 -5.219 0.400 1.00 0.50 H new ATOM 0 HA LEU A 66 12.856 -4.429 2.685 1.00 0.44 H new ATOM 0 HB2 LEU A 66 13.995 -2.953 0.932 1.00 0.52 H new ATOM 0 HB3 LEU A 66 12.737 -3.454 -0.181 1.00 0.52 H new ATOM 0 HG LEU A 66 12.027 -2.191 2.461 1.00 0.71 H new ATOM 0 HD11 LEU A 66 11.996 0.004 1.303 1.00 1.20 H new ATOM 0 HD12 LEU A 66 13.637 -0.683 1.365 1.00 1.20 H new ATOM 0 HD13 LEU A 66 12.696 -0.761 -0.144 1.00 1.20 H new ATOM 0 HD21 LEU A 66 10.032 -1.456 1.217 1.00 1.05 H new ATOM 0 HD22 LEU A 66 10.654 -2.259 -0.245 1.00 1.05 H new ATOM 0 HD23 LEU A 66 10.218 -3.226 1.184 1.00 1.05 H new ATOM 1002 N ASN A 67 10.615 -5.302 2.258 1.00 0.32 N ATOM 1003 CA ASN A 67 9.277 -5.853 2.095 1.00 0.31 C ATOM 1004 C ASN A 67 8.337 -5.124 3.039 1.00 0.30 C ATOM 1005 O ASN A 67 8.670 -4.923 4.209 1.00 0.40 O ATOM 1006 CB ASN A 67 9.258 -7.359 2.391 1.00 0.42 C ATOM 1007 CG ASN A 67 7.918 -8.002 2.061 1.00 0.51 C ATOM 1008 OD1 ASN A 67 7.701 -8.469 0.945 1.00 0.63 O ATOM 1009 ND2 ASN A 67 7.010 -8.027 3.026 1.00 0.54 N ATOM 0 H ASN A 67 10.792 -4.915 3.185 1.00 0.32 H new ATOM 0 HA ASN A 67 8.956 -5.716 1.062 1.00 0.31 H new ATOM 0 HB2 ASN A 67 10.044 -7.849 1.816 1.00 0.42 H new ATOM 0 HB3 ASN A 67 9.486 -7.522 3.444 1.00 0.42 H new ATOM 0 HD21 ASN A 67 6.095 -8.444 2.855 1.00 0.54 H new ATOM 0 HD22 ASN A 67 7.226 -7.629 3.940 1.00 0.54 H new ATOM 1016 N LEU A 68 7.158 -4.770 2.554 1.00 0.26 N ATOM 1017 CA LEU A 68 6.260 -3.895 3.287 1.00 0.24 C ATOM 1018 C LEU A 68 4.819 -4.313 3.033 1.00 0.23 C ATOM 1019 O LEU A 68 4.423 -4.527 1.890 1.00 0.25 O ATOM 1020 CB LEU A 68 6.478 -2.438 2.850 1.00 0.26 C ATOM 1021 CG LEU A 68 5.421 -1.428 3.319 1.00 0.27 C ATOM 1022 CD1 LEU A 68 5.407 -1.314 4.832 1.00 0.31 C ATOM 1023 CD2 LEU A 68 5.673 -0.067 2.690 1.00 0.32 C ATOM 0 H LEU A 68 6.800 -5.078 1.650 1.00 0.26 H new ATOM 0 HA LEU A 68 6.468 -3.974 4.354 1.00 0.24 H new ATOM 0 HB2 LEU A 68 7.451 -2.112 3.217 1.00 0.26 H new ATOM 0 HB3 LEU A 68 6.521 -2.409 1.761 1.00 0.26 H new ATOM 0 HG LEU A 68 4.444 -1.789 2.998 1.00 0.27 H new ATOM 0 HD11 LEU A 68 4.649 -0.592 5.135 1.00 0.31 H new ATOM 0 HD12 LEU A 68 5.177 -2.286 5.268 1.00 0.31 H new ATOM 0 HD13 LEU A 68 6.385 -0.982 5.181 1.00 0.31 H new ATOM 0 HD21 LEU A 68 4.915 0.638 3.032 1.00 0.32 H new ATOM 0 HD22 LEU A 68 6.660 0.291 2.982 1.00 0.32 H new ATOM 0 HD23 LEU A 68 5.624 -0.153 1.605 1.00 0.32 H new ATOM 1035 N ALA A 69 4.050 -4.448 4.098 1.00 0.24 N ATOM 1036 CA ALA A 69 2.652 -4.836 3.975 1.00 0.25 C ATOM 1037 C ALA A 69 1.734 -3.717 4.443 1.00 0.24 C ATOM 1038 O ALA A 69 1.631 -3.442 5.638 1.00 0.28 O ATOM 1039 CB ALA A 69 2.379 -6.109 4.760 1.00 0.30 C ATOM 0 H ALA A 69 4.366 -4.296 5.056 1.00 0.24 H new ATOM 0 HA ALA A 69 2.447 -5.027 2.922 1.00 0.25 H new ATOM 0 HB1 ALA A 69 1.329 -6.383 4.656 1.00 0.30 H new ATOM 0 HB2 ALA A 69 3.004 -6.915 4.375 1.00 0.30 H new ATOM 0 HB3 ALA A 69 2.608 -5.943 5.813 1.00 0.30 H new ATOM 1045 N LEU A 70 1.079 -3.069 3.491 1.00 0.22 N ATOM 1046 CA LEU A 70 0.158 -1.984 3.792 1.00 0.22 C ATOM 1047 C LEU A 70 -1.265 -2.511 3.875 1.00 0.23 C ATOM 1048 O LEU A 70 -1.820 -2.967 2.873 1.00 0.28 O ATOM 1049 CB LEU A 70 0.235 -0.905 2.705 1.00 0.23 C ATOM 1050 CG LEU A 70 1.579 -0.183 2.575 1.00 0.23 C ATOM 1051 CD1 LEU A 70 1.598 0.674 1.324 1.00 0.27 C ATOM 1052 CD2 LEU A 70 1.849 0.679 3.797 1.00 0.25 C ATOM 0 H LEU A 70 1.170 -3.278 2.497 1.00 0.22 H new ATOM 0 HA LEU A 70 0.440 -1.550 4.752 1.00 0.22 H new ATOM 0 HB2 LEU A 70 -0.003 -1.365 1.746 1.00 0.23 H new ATOM 0 HB3 LEU A 70 -0.537 -0.162 2.902 1.00 0.23 H new ATOM 0 HG LEU A 70 2.363 -0.937 2.502 1.00 0.23 H new ATOM 0 HD11 LEU A 70 2.560 1.181 1.245 1.00 0.27 H new ATOM 0 HD12 LEU A 70 1.448 0.043 0.448 1.00 0.27 H new ATOM 0 HD13 LEU A 70 0.800 1.415 1.378 1.00 0.27 H new ATOM 0 HD21 LEU A 70 2.809 1.182 3.682 1.00 0.25 H new ATOM 0 HD22 LEU A 70 1.059 1.423 3.899 1.00 0.25 H new ATOM 0 HD23 LEU A 70 1.873 0.051 4.687 1.00 0.25 H new ATOM 1064 N THR A 71 -1.857 -2.459 5.059 1.00 0.21 N ATOM 1065 CA THR A 71 -3.230 -2.894 5.229 1.00 0.23 C ATOM 1066 C THR A 71 -4.083 -1.735 5.727 1.00 0.22 C ATOM 1067 O THR A 71 -3.596 -0.865 6.453 1.00 0.21 O ATOM 1068 CB THR A 71 -3.334 -4.075 6.222 1.00 0.29 C ATOM 1069 OG1 THR A 71 -2.724 -3.724 7.471 1.00 0.75 O ATOM 1070 CG2 THR A 71 -2.667 -5.326 5.671 1.00 0.52 C ATOM 0 H THR A 71 -1.409 -2.121 5.911 1.00 0.21 H new ATOM 0 HA THR A 71 -3.594 -3.233 4.259 1.00 0.23 H new ATOM 0 HB THR A 71 -4.393 -4.286 6.373 1.00 0.29 H new ATOM 0 HG1 THR A 71 -1.871 -3.272 7.303 1.00 0.75 H new ATOM 0 HG21 THR A 71 -2.759 -6.136 6.395 1.00 0.52 H new ATOM 0 HG22 THR A 71 -3.151 -5.616 4.738 1.00 0.52 H new ATOM 0 HG23 THR A 71 -1.612 -5.124 5.485 1.00 0.52 H new ATOM 1078 N TRP A 72 -5.351 -1.733 5.355 1.00 0.25 N ATOM 1079 CA TRP A 72 -6.254 -0.661 5.742 1.00 0.27 C ATOM 1080 C TRP A 72 -7.486 -1.230 6.422 1.00 0.28 C ATOM 1081 O TRP A 72 -7.858 -2.383 6.191 1.00 0.32 O ATOM 1082 CB TRP A 72 -6.652 0.177 4.522 1.00 0.31 C ATOM 1083 CG TRP A 72 -5.538 1.033 3.995 1.00 0.29 C ATOM 1084 CD1 TRP A 72 -5.181 2.273 4.440 1.00 0.32 C ATOM 1085 CD2 TRP A 72 -4.643 0.720 2.920 1.00 0.28 C ATOM 1086 NE1 TRP A 72 -4.114 2.747 3.717 1.00 0.32 N ATOM 1087 CE2 TRP A 72 -3.766 1.815 2.779 1.00 0.29 C ATOM 1088 CE3 TRP A 72 -4.491 -0.378 2.069 1.00 0.29 C ATOM 1089 CZ2 TRP A 72 -2.759 1.842 1.820 1.00 0.30 C ATOM 1090 CZ3 TRP A 72 -3.490 -0.347 1.117 1.00 0.31 C ATOM 1091 CH2 TRP A 72 -2.635 0.756 1.002 1.00 0.31 C ATOM 0 H TRP A 72 -5.780 -2.462 4.785 1.00 0.25 H new ATOM 0 HA TRP A 72 -5.736 -0.011 6.448 1.00 0.27 H new ATOM 0 HB2 TRP A 72 -6.994 -0.489 3.730 1.00 0.31 H new ATOM 0 HB3 TRP A 72 -7.495 0.815 4.788 1.00 0.31 H new ATOM 0 HD1 TRP A 72 -5.667 2.805 5.245 1.00 0.32 H new ATOM 0 HE1 TRP A 72 -3.656 3.647 3.857 1.00 0.32 H new ATOM 0 HE3 TRP A 72 -5.143 -1.234 2.154 1.00 0.29 H new ATOM 0 HZ2 TRP A 72 -2.099 2.692 1.726 1.00 0.30 H new ATOM 0 HZ3 TRP A 72 -3.365 -1.188 0.450 1.00 0.31 H new ATOM 0 HH2 TRP A 72 -1.860 0.747 0.250 1.00 0.31 H new ATOM 1102 N ASN A 73 -8.094 -0.417 7.275 1.00 0.31 N ATOM 1103 CA ASN A 73 -9.277 -0.816 8.029 1.00 0.35 C ATOM 1104 C ASN A 73 -10.402 -1.253 7.094 1.00 0.31 C ATOM 1105 O ASN A 73 -10.842 -0.486 6.240 1.00 0.30 O ATOM 1106 CB ASN A 73 -9.752 0.343 8.911 1.00 0.45 C ATOM 1107 CG ASN A 73 -8.746 0.710 9.987 1.00 0.76 C ATOM 1108 OD1 ASN A 73 -7.995 -0.140 10.470 1.00 1.02 O ATOM 1109 ND2 ASN A 73 -8.722 1.978 10.372 1.00 0.94 N ATOM 0 H ASN A 73 -7.783 0.536 7.464 1.00 0.31 H new ATOM 0 HA ASN A 73 -9.008 -1.663 8.660 1.00 0.35 H new ATOM 0 HB2 ASN A 73 -9.944 1.215 8.286 1.00 0.45 H new ATOM 0 HB3 ASN A 73 -10.698 0.073 9.380 1.00 0.45 H new ATOM 0 HD21 ASN A 73 -8.066 2.280 11.092 1.00 0.94 H new ATOM 0 HD22 ASN A 73 -9.360 2.652 9.948 1.00 0.94 H new ATOM 1116 N THR A 74 -10.862 -2.490 7.278 1.00 0.36 N ATOM 1117 CA THR A 74 -11.901 -3.086 6.433 1.00 0.38 C ATOM 1118 C THR A 74 -13.194 -2.266 6.476 1.00 0.37 C ATOM 1119 O THR A 74 -13.960 -2.234 5.510 1.00 0.38 O ATOM 1120 CB THR A 74 -12.202 -4.531 6.884 1.00 0.50 C ATOM 1121 OG1 THR A 74 -10.971 -5.234 7.111 1.00 0.74 O ATOM 1122 CG2 THR A 74 -13.030 -5.280 5.846 1.00 0.71 C ATOM 0 H THR A 74 -10.526 -3.109 8.016 1.00 0.36 H new ATOM 0 HA THR A 74 -11.524 -3.092 5.410 1.00 0.38 H new ATOM 0 HB THR A 74 -12.779 -4.480 7.807 1.00 0.50 H new ATOM 0 HG1 THR A 74 -11.166 -6.150 7.399 1.00 0.74 H new ATOM 0 HG21 THR A 74 -13.223 -6.294 6.197 1.00 0.71 H new ATOM 0 HG22 THR A 74 -13.977 -4.762 5.694 1.00 0.71 H new ATOM 0 HG23 THR A 74 -12.483 -5.320 4.904 1.00 0.71 H new ATOM 1130 N ASP A 75 -13.419 -1.598 7.597 1.00 0.39 N ATOM 1131 CA ASP A 75 -14.581 -0.734 7.752 1.00 0.45 C ATOM 1132 C ASP A 75 -14.427 0.487 6.861 1.00 0.40 C ATOM 1133 O ASP A 75 -15.362 0.905 6.182 1.00 0.44 O ATOM 1134 CB ASP A 75 -14.740 -0.299 9.209 1.00 0.55 C ATOM 1135 CG ASP A 75 -15.947 0.593 9.419 1.00 1.11 C ATOM 1136 OD1 ASP A 75 -15.830 1.819 9.198 1.00 1.98 O ATOM 1137 OD2 ASP A 75 -17.021 0.077 9.793 1.00 1.37 O ATOM 0 H ASP A 75 -12.811 -1.637 8.415 1.00 0.39 H new ATOM 0 HA ASP A 75 -15.473 -1.289 7.460 1.00 0.45 H new ATOM 0 HB2 ASP A 75 -14.831 -1.182 9.841 1.00 0.55 H new ATOM 0 HB3 ASP A 75 -13.842 0.230 9.527 1.00 0.55 H new ATOM 1142 N GLU A 76 -13.227 1.047 6.880 1.00 0.39 N ATOM 1143 CA GLU A 76 -12.890 2.187 6.043 1.00 0.44 C ATOM 1144 C GLU A 76 -13.068 1.850 4.568 1.00 0.38 C ATOM 1145 O GLU A 76 -13.537 2.678 3.791 1.00 0.41 O ATOM 1146 CB GLU A 76 -11.455 2.634 6.313 1.00 0.53 C ATOM 1147 CG GLU A 76 -11.157 4.032 5.807 1.00 0.85 C ATOM 1148 CD GLU A 76 -12.008 5.080 6.488 1.00 0.97 C ATOM 1149 OE1 GLU A 76 -13.244 5.052 6.316 1.00 1.57 O ATOM 1150 OE2 GLU A 76 -11.451 5.949 7.183 1.00 1.25 O ATOM 0 H GLU A 76 -12.463 0.725 7.474 1.00 0.39 H new ATOM 0 HA GLU A 76 -13.568 3.004 6.290 1.00 0.44 H new ATOM 0 HB2 GLU A 76 -11.266 2.595 7.386 1.00 0.53 H new ATOM 0 HB3 GLU A 76 -10.768 1.931 5.842 1.00 0.53 H new ATOM 0 HG2 GLU A 76 -10.104 4.259 5.971 1.00 0.85 H new ATOM 0 HG3 GLU A 76 -11.327 4.071 4.731 1.00 0.85 H new ATOM 1157 N ILE A 77 -12.699 0.628 4.189 1.00 0.34 N ATOM 1158 CA ILE A 77 -12.881 0.160 2.817 1.00 0.34 C ATOM 1159 C ILE A 77 -14.353 0.239 2.413 1.00 0.34 C ATOM 1160 O ILE A 77 -14.683 0.699 1.320 1.00 0.37 O ATOM 1161 CB ILE A 77 -12.373 -1.293 2.643 1.00 0.34 C ATOM 1162 CG1 ILE A 77 -10.886 -1.394 3.011 1.00 0.37 C ATOM 1163 CG2 ILE A 77 -12.605 -1.779 1.216 1.00 0.39 C ATOM 1164 CD1 ILE A 77 -10.308 -2.789 2.849 1.00 0.40 C ATOM 0 H ILE A 77 -12.272 -0.056 4.813 1.00 0.34 H new ATOM 0 HA ILE A 77 -12.294 0.811 2.170 1.00 0.34 H new ATOM 0 HB ILE A 77 -12.939 -1.934 3.319 1.00 0.34 H new ATOM 0 HG12 ILE A 77 -10.319 -0.702 2.389 1.00 0.37 H new ATOM 0 HG13 ILE A 77 -10.755 -1.074 4.045 1.00 0.37 H new ATOM 0 HG21 ILE A 77 -12.241 -2.802 1.116 1.00 0.39 H new ATOM 0 HG22 ILE A 77 -13.671 -1.750 0.990 1.00 0.39 H new ATOM 0 HG23 ILE A 77 -12.069 -1.133 0.520 1.00 0.39 H new ATOM 0 HD11 ILE A 77 -9.254 -2.781 3.128 1.00 0.40 H new ATOM 0 HD12 ILE A 77 -10.848 -3.484 3.492 1.00 0.40 H new ATOM 0 HD13 ILE A 77 -10.406 -3.105 1.810 1.00 0.40 H new ATOM 1176 N GLU A 78 -15.232 -0.188 3.312 1.00 0.34 N ATOM 1177 CA GLU A 78 -16.672 -0.113 3.081 1.00 0.37 C ATOM 1178 C GLU A 78 -17.107 1.348 2.934 1.00 0.38 C ATOM 1179 O GLU A 78 -17.937 1.685 2.090 1.00 0.40 O ATOM 1180 CB GLU A 78 -17.417 -0.767 4.249 1.00 0.43 C ATOM 1181 CG GLU A 78 -18.910 -0.941 4.020 1.00 0.64 C ATOM 1182 CD GLU A 78 -19.235 -2.126 3.135 1.00 1.33 C ATOM 1183 OE1 GLU A 78 -19.176 -1.975 1.896 1.00 2.15 O ATOM 1184 OE2 GLU A 78 -19.536 -3.213 3.667 1.00 1.65 O ATOM 0 H GLU A 78 -14.972 -0.592 4.212 1.00 0.34 H new ATOM 0 HA GLU A 78 -16.913 -0.644 2.160 1.00 0.37 H new ATOM 0 HB2 GLU A 78 -16.975 -1.744 4.445 1.00 0.43 H new ATOM 0 HB3 GLU A 78 -17.266 -0.164 5.144 1.00 0.43 H new ATOM 0 HG2 GLU A 78 -19.408 -1.064 4.982 1.00 0.64 H new ATOM 0 HG3 GLU A 78 -19.311 -0.034 3.567 1.00 0.64 H new ATOM 1191 N ARG A 79 -16.521 2.209 3.757 1.00 0.40 N ATOM 1192 CA ARG A 79 -16.852 3.630 3.768 1.00 0.45 C ATOM 1193 C ARG A 79 -16.398 4.318 2.477 1.00 0.42 C ATOM 1194 O ARG A 79 -16.978 5.326 2.069 1.00 0.45 O ATOM 1195 CB ARG A 79 -16.236 4.305 5.002 1.00 0.56 C ATOM 1196 CG ARG A 79 -16.814 5.681 5.321 1.00 1.06 C ATOM 1197 CD ARG A 79 -16.007 6.810 4.699 1.00 1.60 C ATOM 1198 NE ARG A 79 -14.702 6.962 5.337 1.00 2.14 N ATOM 1199 CZ ARG A 79 -14.127 8.133 5.604 1.00 3.09 C ATOM 1200 NH1 ARG A 79 -14.744 9.271 5.298 1.00 3.61 N ATOM 1201 NH2 ARG A 79 -12.939 8.168 6.194 1.00 3.96 N ATOM 0 H ARG A 79 -15.805 1.944 4.434 1.00 0.40 H new ATOM 0 HA ARG A 79 -17.936 3.730 3.823 1.00 0.45 H new ATOM 0 HB2 ARG A 79 -16.378 3.655 5.866 1.00 0.56 H new ATOM 0 HB3 ARG A 79 -15.161 4.402 4.850 1.00 0.56 H new ATOM 0 HG2 ARG A 79 -17.842 5.732 4.961 1.00 1.06 H new ATOM 0 HG3 ARG A 79 -16.848 5.816 6.402 1.00 1.06 H new ATOM 0 HD2 ARG A 79 -15.871 6.615 3.635 1.00 1.60 H new ATOM 0 HD3 ARG A 79 -16.563 7.743 4.784 1.00 1.60 H new ATOM 0 HE ARG A 79 -14.197 6.114 5.595 1.00 2.14 H new ATOM 0 HH11 ARG A 79 -15.663 9.250 4.856 1.00 3.61 H new ATOM 0 HH12 ARG A 79 -14.298 10.165 5.505 1.00 3.61 H new ATOM 0 HH21 ARG A 79 -12.467 7.299 6.443 1.00 3.96 H new ATOM 0 HH22 ARG A 79 -12.498 9.064 6.399 1.00 3.96 H new ATOM 1215 N LEU A 80 -15.361 3.777 1.837 1.00 0.40 N ATOM 1216 CA LEU A 80 -14.839 4.346 0.589 1.00 0.44 C ATOM 1217 C LEU A 80 -15.876 4.295 -0.531 1.00 0.47 C ATOM 1218 O LEU A 80 -15.713 4.941 -1.567 1.00 0.52 O ATOM 1219 CB LEU A 80 -13.572 3.615 0.137 1.00 0.48 C ATOM 1220 CG LEU A 80 -12.350 3.781 1.043 1.00 0.49 C ATOM 1221 CD1 LEU A 80 -11.159 3.047 0.453 1.00 0.55 C ATOM 1222 CD2 LEU A 80 -12.016 5.254 1.252 1.00 0.55 C ATOM 0 H LEU A 80 -14.865 2.946 2.160 1.00 0.40 H new ATOM 0 HA LEU A 80 -14.599 5.389 0.796 1.00 0.44 H new ATOM 0 HB2 LEU A 80 -13.798 2.552 0.054 1.00 0.48 H new ATOM 0 HB3 LEU A 80 -13.310 3.964 -0.862 1.00 0.48 H new ATOM 0 HG LEU A 80 -12.586 3.350 2.016 1.00 0.49 H new ATOM 0 HD11 LEU A 80 -10.295 3.172 1.106 1.00 0.55 H new ATOM 0 HD12 LEU A 80 -11.394 1.987 0.361 1.00 0.55 H new ATOM 0 HD13 LEU A 80 -10.932 3.455 -0.532 1.00 0.55 H new ATOM 0 HD21 LEU A 80 -11.144 5.341 1.900 1.00 0.55 H new ATOM 0 HD22 LEU A 80 -11.801 5.718 0.290 1.00 0.55 H new ATOM 0 HD23 LEU A 80 -12.864 5.757 1.716 1.00 0.55 H new ATOM 1234 N MET A 81 -16.938 3.531 -0.319 1.00 0.49 N ATOM 1235 CA MET A 81 -18.015 3.428 -1.296 1.00 0.57 C ATOM 1236 C MET A 81 -18.858 4.696 -1.319 1.00 0.53 C ATOM 1237 O MET A 81 -19.591 4.952 -2.275 1.00 0.61 O ATOM 1238 CB MET A 81 -18.899 2.218 -0.996 1.00 0.67 C ATOM 1239 CG MET A 81 -18.370 0.917 -1.575 1.00 0.79 C ATOM 1240 SD MET A 81 -18.355 0.925 -3.378 1.00 1.85 S ATOM 1241 CE MET A 81 -20.064 1.341 -3.730 1.00 2.59 C ATOM 0 H MET A 81 -17.078 2.972 0.522 1.00 0.49 H new ATOM 0 HA MET A 81 -17.561 3.299 -2.279 1.00 0.57 H new ATOM 0 HB2 MET A 81 -18.999 2.111 0.084 1.00 0.67 H new ATOM 0 HB3 MET A 81 -19.898 2.402 -1.392 1.00 0.67 H new ATOM 0 HG2 MET A 81 -17.359 0.743 -1.206 1.00 0.79 H new ATOM 0 HG3 MET A 81 -18.985 0.089 -1.223 1.00 0.79 H new ATOM 0 HE1 MET A 81 -20.437 0.702 -4.531 1.00 2.59 H new ATOM 0 HE2 MET A 81 -20.667 1.190 -2.835 1.00 2.59 H new ATOM 0 HE3 MET A 81 -20.128 2.384 -4.039 1.00 2.59 H new ATOM 1251 N GLU A 82 -18.748 5.491 -0.268 1.00 0.47 N ATOM 1252 CA GLU A 82 -19.471 6.748 -0.188 1.00 0.48 C ATOM 1253 C GLU A 82 -18.705 7.818 -0.964 1.00 0.43 C ATOM 1254 O GLU A 82 -17.485 7.725 -1.108 1.00 0.43 O ATOM 1255 CB GLU A 82 -19.629 7.172 1.282 1.00 0.56 C ATOM 1256 CG GLU A 82 -20.980 7.789 1.623 1.00 1.21 C ATOM 1257 CD GLU A 82 -21.329 8.970 0.745 1.00 1.59 C ATOM 1258 OE1 GLU A 82 -20.875 10.093 1.046 1.00 1.61 O ATOM 1259 OE2 GLU A 82 -22.077 8.789 -0.237 1.00 2.34 O ATOM 0 H GLU A 82 -18.164 5.287 0.543 1.00 0.47 H new ATOM 0 HA GLU A 82 -20.463 6.626 -0.623 1.00 0.48 H new ATOM 0 HB2 GLU A 82 -19.472 6.300 1.917 1.00 0.56 H new ATOM 0 HB3 GLU A 82 -18.845 7.889 1.526 1.00 0.56 H new ATOM 0 HG2 GLU A 82 -21.755 7.029 1.525 1.00 1.21 H new ATOM 0 HG3 GLU A 82 -20.975 8.107 2.665 1.00 1.21 H new ATOM 1266 N ALA A 83 -19.415 8.826 -1.461 1.00 0.52 N ATOM 1267 CA ALA A 83 -18.790 9.924 -2.190 1.00 0.61 C ATOM 1268 C ALA A 83 -17.774 10.649 -1.313 1.00 0.55 C ATOM 1269 O ALA A 83 -16.725 11.084 -1.789 1.00 0.57 O ATOM 1270 CB ALA A 83 -19.848 10.896 -2.697 1.00 0.79 C ATOM 0 H ALA A 83 -20.428 8.905 -1.371 1.00 0.52 H new ATOM 0 HA ALA A 83 -18.262 9.507 -3.048 1.00 0.61 H new ATOM 0 HB1 ALA A 83 -19.365 11.709 -3.239 1.00 0.79 H new ATOM 0 HB2 ALA A 83 -20.533 10.373 -3.364 1.00 0.79 H new ATOM 0 HB3 ALA A 83 -20.404 11.302 -1.852 1.00 0.79 H new ATOM 1276 N ASP A 84 -18.086 10.759 -0.023 1.00 0.57 N ATOM 1277 CA ASP A 84 -17.176 11.384 0.937 1.00 0.61 C ATOM 1278 C ASP A 84 -15.913 10.548 1.091 1.00 0.49 C ATOM 1279 O ASP A 84 -14.825 11.071 1.338 1.00 0.51 O ATOM 1280 CB ASP A 84 -17.852 11.551 2.303 1.00 0.77 C ATOM 1281 CG ASP A 84 -16.969 12.280 3.295 1.00 1.17 C ATOM 1282 OD1 ASP A 84 -16.953 13.528 3.285 1.00 1.47 O ATOM 1283 OD2 ASP A 84 -16.282 11.602 4.091 1.00 1.76 O ATOM 0 H ASP A 84 -18.960 10.424 0.382 1.00 0.57 H new ATOM 0 HA ASP A 84 -16.911 12.370 0.555 1.00 0.61 H new ATOM 0 HB2 ASP A 84 -18.786 12.099 2.179 1.00 0.77 H new ATOM 0 HB3 ASP A 84 -18.109 10.570 2.701 1.00 0.77 H new ATOM 1288 N GLY A 85 -16.061 9.246 0.902 1.00 0.43 N ATOM 1289 CA GLY A 85 -14.948 8.343 1.063 1.00 0.41 C ATOM 1290 C GLY A 85 -14.014 8.403 -0.123 1.00 0.38 C ATOM 1291 O GLY A 85 -12.799 8.511 0.040 1.00 0.39 O ATOM 0 H GLY A 85 -16.939 8.799 0.638 1.00 0.43 H new ATOM 0 HA2 GLY A 85 -14.401 8.595 1.972 1.00 0.41 H new ATOM 0 HA3 GLY A 85 -15.318 7.325 1.186 1.00 0.41 H new ATOM 1295 N ALA A 86 -14.580 8.323 -1.322 1.00 0.41 N ATOM 1296 CA ALA A 86 -13.809 8.481 -2.548 1.00 0.46 C ATOM 1297 C ALA A 86 -13.059 9.810 -2.575 1.00 0.45 C ATOM 1298 O ALA A 86 -11.912 9.871 -3.017 1.00 0.45 O ATOM 1299 CB ALA A 86 -14.721 8.364 -3.757 1.00 0.57 C ATOM 0 H ALA A 86 -15.574 8.149 -1.470 1.00 0.41 H new ATOM 0 HA ALA A 86 -13.066 7.684 -2.580 1.00 0.46 H new ATOM 0 HB1 ALA A 86 -14.135 8.484 -4.668 1.00 0.57 H new ATOM 0 HB2 ALA A 86 -15.199 7.384 -3.759 1.00 0.57 H new ATOM 0 HB3 ALA A 86 -15.485 9.140 -3.713 1.00 0.57 H new ATOM 1305 N ALA A 87 -13.709 10.870 -2.102 1.00 0.47 N ATOM 1306 CA ALA A 87 -13.078 12.184 -2.016 1.00 0.53 C ATOM 1307 C ALA A 87 -11.857 12.147 -1.104 1.00 0.48 C ATOM 1308 O ALA A 87 -10.844 12.801 -1.370 1.00 0.51 O ATOM 1309 CB ALA A 87 -14.076 13.219 -1.521 1.00 0.63 C ATOM 0 H ALA A 87 -14.674 10.845 -1.772 1.00 0.47 H new ATOM 0 HA ALA A 87 -12.746 12.465 -3.015 1.00 0.53 H new ATOM 0 HB1 ALA A 87 -13.591 14.193 -1.462 1.00 0.63 H new ATOM 0 HB2 ALA A 87 -14.917 13.274 -2.212 1.00 0.63 H new ATOM 0 HB3 ALA A 87 -14.437 12.933 -0.533 1.00 0.63 H new ATOM 1315 N ARG A 88 -11.948 11.356 -0.044 1.00 0.45 N ATOM 1316 CA ARG A 88 -10.845 11.196 0.892 1.00 0.48 C ATOM 1317 C ARG A 88 -9.690 10.464 0.210 1.00 0.40 C ATOM 1318 O ARG A 88 -8.525 10.823 0.380 1.00 0.42 O ATOM 1319 CB ARG A 88 -11.319 10.406 2.116 1.00 0.56 C ATOM 1320 CG ARG A 88 -10.271 10.233 3.207 1.00 0.96 C ATOM 1321 CD ARG A 88 -10.206 11.437 4.138 1.00 1.41 C ATOM 1322 NE ARG A 88 -9.573 12.610 3.526 1.00 1.91 N ATOM 1323 CZ ARG A 88 -10.172 13.793 3.394 1.00 2.82 C ATOM 1324 NH1 ARG A 88 -11.467 13.921 3.652 1.00 3.26 N ATOM 1325 NH2 ARG A 88 -9.476 14.846 2.990 1.00 3.71 N ATOM 0 H ARG A 88 -12.779 10.813 0.190 1.00 0.45 H new ATOM 0 HA ARG A 88 -10.499 12.178 1.214 1.00 0.48 H new ATOM 0 HB2 ARG A 88 -12.187 10.909 2.542 1.00 0.56 H new ATOM 0 HB3 ARG A 88 -11.650 9.420 1.789 1.00 0.56 H new ATOM 0 HG2 ARG A 88 -10.497 9.339 3.788 1.00 0.96 H new ATOM 0 HG3 ARG A 88 -9.294 10.077 2.749 1.00 0.96 H new ATOM 0 HD2 ARG A 88 -11.216 11.700 4.451 1.00 1.41 H new ATOM 0 HD3 ARG A 88 -9.654 11.163 5.037 1.00 1.41 H new ATOM 0 HE ARG A 88 -8.618 12.515 3.181 1.00 1.91 H new ATOM 0 HH11 ARG A 88 -12.009 13.111 3.953 1.00 3.26 H new ATOM 0 HH12 ARG A 88 -11.920 14.829 3.549 1.00 3.26 H new ATOM 0 HH21 ARG A 88 -8.482 14.751 2.780 1.00 3.71 H new ATOM 0 HH22 ARG A 88 -9.934 15.752 2.889 1.00 3.71 H new ATOM 1339 N PHE A 89 -10.036 9.455 -0.584 1.00 0.35 N ATOM 1340 CA PHE A 89 -9.047 8.636 -1.281 1.00 0.34 C ATOM 1341 C PHE A 89 -8.251 9.476 -2.276 1.00 0.33 C ATOM 1342 O PHE A 89 -7.036 9.317 -2.397 1.00 0.33 O ATOM 1343 CB PHE A 89 -9.734 7.469 -2.005 1.00 0.36 C ATOM 1344 CG PHE A 89 -8.780 6.500 -2.651 1.00 0.41 C ATOM 1345 CD1 PHE A 89 -8.149 5.522 -1.896 1.00 0.51 C ATOM 1346 CD2 PHE A 89 -8.515 6.561 -4.012 1.00 0.45 C ATOM 1347 CE1 PHE A 89 -7.278 4.629 -2.484 1.00 0.58 C ATOM 1348 CE2 PHE A 89 -7.644 5.669 -4.603 1.00 0.54 C ATOM 1349 CZ PHE A 89 -7.024 4.702 -3.839 1.00 0.58 C ATOM 0 H PHE A 89 -11.003 9.183 -0.762 1.00 0.35 H new ATOM 0 HA PHE A 89 -8.356 8.234 -0.540 1.00 0.34 H new ATOM 0 HB2 PHE A 89 -10.356 6.929 -1.292 1.00 0.36 H new ATOM 0 HB3 PHE A 89 -10.400 7.871 -2.769 1.00 0.36 H new ATOM 0 HD1 PHE A 89 -8.342 5.459 -0.835 1.00 0.51 H new ATOM 0 HD2 PHE A 89 -8.996 7.316 -4.616 1.00 0.45 H new ATOM 0 HE1 PHE A 89 -6.794 3.872 -1.884 1.00 0.58 H new ATOM 0 HE2 PHE A 89 -7.448 5.728 -5.663 1.00 0.54 H new ATOM 0 HZ PHE A 89 -6.341 4.004 -4.300 1.00 0.58 H new ATOM 1359 N GLU A 90 -8.935 10.375 -2.979 1.00 0.35 N ATOM 1360 CA GLU A 90 -8.280 11.243 -3.950 1.00 0.39 C ATOM 1361 C GLU A 90 -7.200 12.082 -3.280 1.00 0.38 C ATOM 1362 O GLU A 90 -6.081 12.206 -3.788 1.00 0.41 O ATOM 1363 CB GLU A 90 -9.301 12.166 -4.624 1.00 0.47 C ATOM 1364 CG GLU A 90 -10.276 11.449 -5.546 1.00 0.70 C ATOM 1365 CD GLU A 90 -9.577 10.718 -6.672 1.00 1.37 C ATOM 1366 OE1 GLU A 90 -9.045 11.392 -7.577 1.00 1.67 O ATOM 1367 OE2 GLU A 90 -9.557 9.470 -6.657 1.00 2.10 O ATOM 0 H GLU A 90 -9.941 10.520 -2.894 1.00 0.35 H new ATOM 0 HA GLU A 90 -7.818 10.609 -4.707 1.00 0.39 H new ATOM 0 HB2 GLU A 90 -9.866 12.689 -3.853 1.00 0.47 H new ATOM 0 HB3 GLU A 90 -8.767 12.924 -5.197 1.00 0.47 H new ATOM 0 HG2 GLU A 90 -10.864 10.738 -4.966 1.00 0.70 H new ATOM 0 HG3 GLU A 90 -10.974 12.173 -5.965 1.00 0.70 H new ATOM 1374 N ARG A 91 -7.527 12.638 -2.124 1.00 0.39 N ATOM 1375 CA ARG A 91 -6.596 13.503 -1.421 1.00 0.44 C ATOM 1376 C ARG A 91 -5.507 12.674 -0.743 1.00 0.37 C ATOM 1377 O ARG A 91 -4.450 13.193 -0.379 1.00 0.38 O ATOM 1378 CB ARG A 91 -7.338 14.367 -0.402 1.00 0.53 C ATOM 1379 CG ARG A 91 -6.549 15.587 0.040 1.00 0.73 C ATOM 1380 CD ARG A 91 -7.383 16.514 0.902 1.00 1.31 C ATOM 1381 NE ARG A 91 -8.627 16.907 0.243 1.00 2.11 N ATOM 1382 CZ ARG A 91 -9.498 17.774 0.751 1.00 3.10 C ATOM 1383 NH1 ARG A 91 -9.253 18.370 1.913 1.00 3.51 N ATOM 1384 NH2 ARG A 91 -10.613 18.047 0.089 1.00 4.06 N ATOM 0 H ARG A 91 -8.424 12.506 -1.656 1.00 0.39 H new ATOM 0 HA ARG A 91 -6.119 14.164 -2.144 1.00 0.44 H new ATOM 0 HB2 ARG A 91 -8.285 14.692 -0.833 1.00 0.53 H new ATOM 0 HB3 ARG A 91 -7.577 13.761 0.472 1.00 0.53 H new ATOM 0 HG2 ARG A 91 -5.668 15.268 0.596 1.00 0.73 H new ATOM 0 HG3 ARG A 91 -6.194 16.128 -0.837 1.00 0.73 H new ATOM 0 HD2 ARG A 91 -7.614 16.021 1.846 1.00 1.31 H new ATOM 0 HD3 ARG A 91 -6.803 17.405 1.142 1.00 1.31 H new ATOM 0 HE ARG A 91 -8.840 16.490 -0.663 1.00 2.11 H new ATOM 0 HH11 ARG A 91 -8.393 18.163 2.421 1.00 3.51 H new ATOM 0 HH12 ARG A 91 -9.925 19.034 2.297 1.00 3.51 H new ATOM 0 HH21 ARG A 91 -10.799 17.593 -0.805 1.00 4.06 H new ATOM 0 HH22 ARG A 91 -11.285 18.711 0.474 1.00 4.06 H new ATOM 1398 N TYR A 92 -5.754 11.374 -0.613 1.00 0.33 N ATOM 1399 CA TYR A 92 -4.779 10.462 -0.033 1.00 0.32 C ATOM 1400 C TYR A 92 -3.693 10.165 -1.056 1.00 0.30 C ATOM 1401 O TYR A 92 -2.524 9.996 -0.710 1.00 0.32 O ATOM 1402 CB TYR A 92 -5.453 9.161 0.421 1.00 0.34 C ATOM 1403 CG TYR A 92 -4.505 8.162 1.051 1.00 0.38 C ATOM 1404 CD1 TYR A 92 -3.949 8.401 2.302 1.00 0.47 C ATOM 1405 CD2 TYR A 92 -4.171 6.982 0.398 1.00 0.41 C ATOM 1406 CE1 TYR A 92 -3.083 7.493 2.882 1.00 0.56 C ATOM 1407 CE2 TYR A 92 -3.307 6.068 0.972 1.00 0.48 C ATOM 1408 CZ TYR A 92 -2.762 6.325 2.203 1.00 0.55 C ATOM 1409 OH TYR A 92 -1.903 5.422 2.789 1.00 0.64 O ATOM 0 H TYR A 92 -6.625 10.929 -0.903 1.00 0.33 H new ATOM 0 HA TYR A 92 -4.332 10.933 0.843 1.00 0.32 H new ATOM 0 HB2 TYR A 92 -6.239 9.402 1.137 1.00 0.34 H new ATOM 0 HB3 TYR A 92 -5.936 8.696 -0.438 1.00 0.34 H new ATOM 0 HD1 TYR A 92 -4.197 9.310 2.829 1.00 0.47 H new ATOM 0 HD2 TYR A 92 -4.593 6.775 -0.574 1.00 0.41 H new ATOM 0 HE1 TYR A 92 -2.659 7.690 3.856 1.00 0.56 H new ATOM 0 HE2 TYR A 92 -3.062 5.154 0.452 1.00 0.48 H new ATOM 0 HH TYR A 92 -1.777 4.655 2.192 1.00 0.64 H new ATOM 1419 N LEU A 93 -4.093 10.119 -2.322 1.00 0.31 N ATOM 1420 CA LEU A 93 -3.152 9.922 -3.417 1.00 0.34 C ATOM 1421 C LEU A 93 -2.166 11.081 -3.466 1.00 0.35 C ATOM 1422 O LEU A 93 -0.975 10.896 -3.714 1.00 0.38 O ATOM 1423 CB LEU A 93 -3.892 9.812 -4.757 1.00 0.39 C ATOM 1424 CG LEU A 93 -4.920 8.678 -4.855 1.00 0.41 C ATOM 1425 CD1 LEU A 93 -5.655 8.742 -6.184 1.00 0.48 C ATOM 1426 CD2 LEU A 93 -4.248 7.321 -4.688 1.00 0.44 C ATOM 0 H LEU A 93 -5.065 10.216 -2.615 1.00 0.31 H new ATOM 0 HA LEU A 93 -2.610 8.992 -3.244 1.00 0.34 H new ATOM 0 HB2 LEU A 93 -4.400 10.757 -4.950 1.00 0.39 H new ATOM 0 HB3 LEU A 93 -3.155 9.680 -5.549 1.00 0.39 H new ATOM 0 HG LEU A 93 -5.642 8.804 -4.049 1.00 0.41 H new ATOM 0 HD11 LEU A 93 -6.381 7.931 -6.238 1.00 0.48 H new ATOM 0 HD12 LEU A 93 -6.172 9.698 -6.268 1.00 0.48 H new ATOM 0 HD13 LEU A 93 -4.940 8.644 -7.001 1.00 0.48 H new ATOM 0 HD21 LEU A 93 -4.997 6.533 -4.761 1.00 0.44 H new ATOM 0 HD22 LEU A 93 -3.501 7.186 -5.471 1.00 0.44 H new ATOM 0 HD23 LEU A 93 -3.764 7.272 -3.713 1.00 0.44 H new ATOM 1438 N ALA A 94 -2.677 12.280 -3.219 1.00 0.36 N ATOM 1439 CA ALA A 94 -1.850 13.480 -3.181 1.00 0.39 C ATOM 1440 C ALA A 94 -0.928 13.494 -1.961 1.00 0.37 C ATOM 1441 O ALA A 94 0.054 14.235 -1.926 1.00 0.44 O ATOM 1442 CB ALA A 94 -2.732 14.720 -3.194 1.00 0.43 C ATOM 0 H ALA A 94 -3.667 12.448 -3.041 1.00 0.36 H new ATOM 0 HA ALA A 94 -1.217 13.479 -4.069 1.00 0.39 H new ATOM 0 HB1 ALA A 94 -2.106 15.612 -3.165 1.00 0.43 H new ATOM 0 HB2 ALA A 94 -3.335 14.728 -4.102 1.00 0.43 H new ATOM 0 HB3 ALA A 94 -3.388 14.709 -2.324 1.00 0.43 H new ATOM 1448 N ALA A 95 -1.244 12.675 -0.963 1.00 0.33 N ATOM 1449 CA ALA A 95 -0.470 12.648 0.271 1.00 0.35 C ATOM 1450 C ALA A 95 0.453 11.435 0.334 1.00 0.33 C ATOM 1451 O ALA A 95 1.195 11.268 1.303 1.00 0.33 O ATOM 1452 CB ALA A 95 -1.399 12.655 1.474 1.00 0.40 C ATOM 0 H ALA A 95 -2.028 12.023 -0.985 1.00 0.33 H new ATOM 0 HA ALA A 95 0.153 13.542 0.288 1.00 0.35 H new ATOM 0 HB1 ALA A 95 -0.808 12.635 2.390 1.00 0.40 H new ATOM 0 HB2 ALA A 95 -2.010 13.557 1.456 1.00 0.40 H new ATOM 0 HB3 ALA A 95 -2.045 11.778 1.440 1.00 0.40 H new ATOM 1458 N LEU A 96 0.395 10.592 -0.693 1.00 0.35 N ATOM 1459 CA LEU A 96 1.239 9.396 -0.760 1.00 0.36 C ATOM 1460 C LEU A 96 2.723 9.712 -0.534 1.00 0.35 C ATOM 1461 O LEU A 96 3.350 9.077 0.309 1.00 0.34 O ATOM 1462 CB LEU A 96 1.045 8.655 -2.089 1.00 0.44 C ATOM 1463 CG LEU A 96 -0.278 7.904 -2.230 1.00 0.49 C ATOM 1464 CD1 LEU A 96 -0.455 7.415 -3.657 1.00 0.56 C ATOM 1465 CD2 LEU A 96 -0.342 6.731 -1.260 1.00 0.49 C ATOM 0 H LEU A 96 -0.227 10.712 -1.492 1.00 0.35 H new ATOM 0 HA LEU A 96 0.919 8.745 0.053 1.00 0.36 H new ATOM 0 HB2 LEU A 96 1.123 9.376 -2.903 1.00 0.44 H new ATOM 0 HB3 LEU A 96 1.862 7.944 -2.213 1.00 0.44 H new ATOM 0 HG LEU A 96 -1.088 8.592 -1.989 1.00 0.49 H new ATOM 0 HD11 LEU A 96 -1.402 6.881 -3.744 1.00 0.56 H new ATOM 0 HD12 LEU A 96 -0.455 8.267 -4.336 1.00 0.56 H new ATOM 0 HD13 LEU A 96 0.364 6.745 -3.916 1.00 0.56 H new ATOM 0 HD21 LEU A 96 -1.293 6.212 -1.379 1.00 0.49 H new ATOM 0 HD22 LEU A 96 0.476 6.042 -1.468 1.00 0.49 H new ATOM 0 HD23 LEU A 96 -0.255 7.099 -0.238 1.00 0.49 H new ATOM 1477 N PRO A 97 3.316 10.690 -1.257 1.00 0.37 N ATOM 1478 CA PRO A 97 4.719 11.076 -1.049 1.00 0.39 C ATOM 1479 C PRO A 97 5.025 11.399 0.415 1.00 0.35 C ATOM 1480 O PRO A 97 6.086 11.043 0.934 1.00 0.36 O ATOM 1481 CB PRO A 97 4.896 12.331 -1.922 1.00 0.46 C ATOM 1482 CG PRO A 97 3.516 12.738 -2.327 1.00 0.46 C ATOM 1483 CD PRO A 97 2.701 11.480 -2.336 1.00 0.42 C ATOM 0 HA PRO A 97 5.398 10.265 -1.312 1.00 0.39 H new ATOM 0 HB2 PRO A 97 5.392 13.127 -1.367 1.00 0.46 H new ATOM 0 HB3 PRO A 97 5.513 12.117 -2.794 1.00 0.46 H new ATOM 0 HG2 PRO A 97 3.103 13.466 -1.629 1.00 0.46 H new ATOM 0 HG3 PRO A 97 3.520 13.207 -3.311 1.00 0.46 H new ATOM 0 HD2 PRO A 97 1.647 11.679 -2.142 1.00 0.42 H new ATOM 0 HD3 PRO A 97 2.758 10.967 -3.296 1.00 0.42 H new ATOM 1491 N ARG A 98 4.074 12.044 1.078 1.00 0.34 N ATOM 1492 CA ARG A 98 4.250 12.462 2.461 1.00 0.35 C ATOM 1493 C ARG A 98 4.215 11.261 3.403 1.00 0.31 C ATOM 1494 O ARG A 98 5.043 11.147 4.308 1.00 0.33 O ATOM 1495 CB ARG A 98 3.170 13.476 2.847 1.00 0.44 C ATOM 1496 CG ARG A 98 3.331 14.048 4.245 1.00 1.33 C ATOM 1497 CD ARG A 98 2.307 15.140 4.511 1.00 1.71 C ATOM 1498 NE ARG A 98 2.437 16.250 3.566 1.00 2.37 N ATOM 1499 CZ ARG A 98 1.413 16.994 3.138 1.00 3.24 C ATOM 1500 NH1 ARG A 98 0.183 16.769 3.586 1.00 3.56 N ATOM 1501 NH2 ARG A 98 1.622 17.974 2.271 1.00 4.22 N ATOM 0 H ARG A 98 3.169 12.290 0.677 1.00 0.34 H new ATOM 0 HA ARG A 98 5.227 12.935 2.554 1.00 0.35 H new ATOM 0 HB2 ARG A 98 3.181 14.294 2.127 1.00 0.44 H new ATOM 0 HB3 ARG A 98 2.193 12.998 2.771 1.00 0.44 H new ATOM 0 HG2 ARG A 98 3.219 13.253 4.982 1.00 1.33 H new ATOM 0 HG3 ARG A 98 4.337 14.452 4.362 1.00 1.33 H new ATOM 0 HD2 ARG A 98 1.303 14.721 4.443 1.00 1.71 H new ATOM 0 HD3 ARG A 98 2.429 15.513 5.528 1.00 1.71 H new ATOM 0 HE ARG A 98 3.368 16.469 3.212 1.00 2.37 H new ATOM 0 HH11 ARG A 98 0.015 16.024 4.262 1.00 3.56 H new ATOM 0 HH12 ARG A 98 -0.593 17.341 3.254 1.00 3.56 H new ATOM 0 HH21 ARG A 98 2.565 18.161 1.930 1.00 4.22 H new ATOM 0 HH22 ARG A 98 0.840 18.542 1.945 1.00 4.22 H new ATOM 1515 N LYS A 99 3.281 10.352 3.169 1.00 0.31 N ATOM 1516 CA LYS A 99 3.106 9.200 4.043 1.00 0.36 C ATOM 1517 C LYS A 99 4.235 8.195 3.849 1.00 0.32 C ATOM 1518 O LYS A 99 4.763 7.651 4.817 1.00 0.32 O ATOM 1519 CB LYS A 99 1.748 8.538 3.804 1.00 0.47 C ATOM 1520 CG LYS A 99 0.565 9.402 4.222 1.00 0.86 C ATOM 1521 CD LYS A 99 0.679 9.839 5.677 1.00 1.14 C ATOM 1522 CE LYS A 99 -0.510 10.678 6.116 1.00 1.52 C ATOM 1523 NZ LYS A 99 -1.761 9.878 6.211 1.00 1.44 N ATOM 0 H LYS A 99 2.633 10.389 2.382 1.00 0.31 H new ATOM 0 HA LYS A 99 3.137 9.552 5.074 1.00 0.36 H new ATOM 0 HB2 LYS A 99 1.653 8.295 2.746 1.00 0.47 H new ATOM 0 HB3 LYS A 99 1.711 7.597 4.352 1.00 0.47 H new ATOM 0 HG2 LYS A 99 0.511 10.281 3.580 1.00 0.86 H new ATOM 0 HG3 LYS A 99 -0.361 8.846 4.080 1.00 0.86 H new ATOM 0 HD2 LYS A 99 0.756 8.958 6.315 1.00 1.14 H new ATOM 0 HD3 LYS A 99 1.596 10.412 5.812 1.00 1.14 H new ATOM 0 HE2 LYS A 99 -0.296 11.129 7.085 1.00 1.52 H new ATOM 0 HE3 LYS A 99 -0.656 11.495 5.409 1.00 1.52 H new ATOM 0 HZ1 LYS A 99 -2.583 10.515 6.193 1.00 1.44 H new ATOM 0 HZ2 LYS A 99 -1.815 9.221 5.407 1.00 1.44 H new ATOM 0 HZ3 LYS A 99 -1.761 9.338 7.100 1.00 1.44 H new ATOM 1537 N LEU A 100 4.610 7.966 2.596 1.00 0.33 N ATOM 1538 CA LEU A 100 5.710 7.060 2.276 1.00 0.35 C ATOM 1539 C LEU A 100 7.002 7.537 2.930 1.00 0.34 C ATOM 1540 O LEU A 100 7.727 6.749 3.533 1.00 0.35 O ATOM 1541 CB LEU A 100 5.898 6.941 0.756 1.00 0.42 C ATOM 1542 CG LEU A 100 5.086 5.838 0.050 1.00 0.82 C ATOM 1543 CD1 LEU A 100 5.595 4.455 0.431 1.00 0.62 C ATOM 1544 CD2 LEU A 100 3.601 5.957 0.365 1.00 1.58 C ATOM 0 H LEU A 100 4.169 8.395 1.783 1.00 0.33 H new ATOM 0 HA LEU A 100 5.460 6.074 2.669 1.00 0.35 H new ATOM 0 HB2 LEU A 100 5.639 7.898 0.304 1.00 0.42 H new ATOM 0 HB3 LEU A 100 6.955 6.769 0.555 1.00 0.42 H new ATOM 0 HG LEU A 100 5.220 5.972 -1.023 1.00 0.82 H new ATOM 0 HD11 LEU A 100 5.004 3.696 -0.081 1.00 0.62 H new ATOM 0 HD12 LEU A 100 6.641 4.359 0.139 1.00 0.62 H new ATOM 0 HD13 LEU A 100 5.505 4.318 1.509 1.00 0.62 H new ATOM 0 HD21 LEU A 100 3.056 5.165 -0.148 1.00 1.58 H new ATOM 0 HD22 LEU A 100 3.449 5.865 1.440 1.00 1.58 H new ATOM 0 HD23 LEU A 100 3.234 6.927 0.028 1.00 1.58 H new ATOM 1556 N ALA A 101 7.267 8.837 2.832 1.00 0.33 N ATOM 1557 CA ALA A 101 8.465 9.420 3.425 1.00 0.36 C ATOM 1558 C ALA A 101 8.430 9.308 4.947 1.00 0.33 C ATOM 1559 O ALA A 101 9.467 9.148 5.597 1.00 0.35 O ATOM 1560 CB ALA A 101 8.602 10.876 3.007 1.00 0.41 C ATOM 0 H ALA A 101 6.668 9.506 2.348 1.00 0.33 H new ATOM 0 HA ALA A 101 9.330 8.865 3.063 1.00 0.36 H new ATOM 0 HB1 ALA A 101 9.500 11.300 3.456 1.00 0.41 H new ATOM 0 HB2 ALA A 101 8.675 10.937 1.921 1.00 0.41 H new ATOM 0 HB3 ALA A 101 7.729 11.435 3.344 1.00 0.41 H new ATOM 1566 N ALA A 102 7.223 9.369 5.494 1.00 0.32 N ATOM 1567 CA ALA A 102 7.026 9.305 6.933 1.00 0.33 C ATOM 1568 C ALA A 102 7.380 7.923 7.468 1.00 0.32 C ATOM 1569 O ALA A 102 8.036 7.794 8.504 1.00 0.35 O ATOM 1570 CB ALA A 102 5.590 9.665 7.288 1.00 0.35 C ATOM 0 H ALA A 102 6.361 9.463 4.957 1.00 0.32 H new ATOM 0 HA ALA A 102 7.692 10.030 7.402 1.00 0.33 H new ATOM 0 HB1 ALA A 102 5.458 9.613 8.369 1.00 0.35 H new ATOM 0 HB2 ALA A 102 5.373 10.677 6.945 1.00 0.35 H new ATOM 0 HB3 ALA A 102 4.909 8.964 6.805 1.00 0.35 H new ATOM 1576 N TRP A 103 6.955 6.891 6.747 1.00 0.30 N ATOM 1577 CA TRP A 103 7.219 5.517 7.152 1.00 0.32 C ATOM 1578 C TRP A 103 8.699 5.177 7.000 1.00 0.32 C ATOM 1579 O TRP A 103 9.250 4.423 7.806 1.00 0.34 O ATOM 1580 CB TRP A 103 6.360 4.536 6.344 1.00 0.33 C ATOM 1581 CG TRP A 103 4.889 4.673 6.611 1.00 0.34 C ATOM 1582 CD1 TRP A 103 4.282 4.851 7.823 1.00 0.36 C ATOM 1583 CD2 TRP A 103 3.837 4.621 5.643 1.00 0.35 C ATOM 1584 NE1 TRP A 103 2.920 4.930 7.661 1.00 0.40 N ATOM 1585 CE2 TRP A 103 2.623 4.791 6.333 1.00 0.39 C ATOM 1586 CE3 TRP A 103 3.804 4.456 4.257 1.00 0.37 C ATOM 1587 CZ2 TRP A 103 1.392 4.799 5.684 1.00 0.43 C ATOM 1588 CZ3 TRP A 103 2.582 4.461 3.615 1.00 0.41 C ATOM 1589 CH2 TRP A 103 1.391 4.634 4.327 1.00 0.44 C ATOM 0 H TRP A 103 6.426 6.981 5.879 1.00 0.30 H new ATOM 0 HA TRP A 103 6.953 5.423 8.205 1.00 0.32 H new ATOM 0 HB2 TRP A 103 6.545 4.692 5.281 1.00 0.33 H new ATOM 0 HB3 TRP A 103 6.670 3.517 6.575 1.00 0.33 H new ATOM 0 HD1 TRP A 103 4.798 4.919 8.769 1.00 0.36 H new ATOM 0 HE1 TRP A 103 2.241 5.070 8.409 1.00 0.40 H new ATOM 0 HE3 TRP A 103 4.718 4.327 3.697 1.00 0.37 H new ATOM 0 HZ2 TRP A 103 0.471 4.931 6.232 1.00 0.43 H new ATOM 0 HZ3 TRP A 103 2.545 4.329 2.544 1.00 0.41 H new ATOM 0 HH2 TRP A 103 0.452 4.637 3.794 1.00 0.44 H new ATOM 1600 N GLU A 104 9.343 5.742 5.977 1.00 0.34 N ATOM 1601 CA GLU A 104 10.771 5.519 5.758 1.00 0.38 C ATOM 1602 C GLU A 104 11.574 5.938 6.985 1.00 0.39 C ATOM 1603 O GLU A 104 12.383 5.169 7.514 1.00 0.41 O ATOM 1604 CB GLU A 104 11.280 6.306 4.543 1.00 0.42 C ATOM 1605 CG GLU A 104 10.674 5.890 3.212 1.00 0.45 C ATOM 1606 CD GLU A 104 11.290 6.641 2.046 1.00 0.51 C ATOM 1607 OE1 GLU A 104 10.968 7.834 1.864 1.00 0.62 O ATOM 1608 OE2 GLU A 104 12.104 6.045 1.305 1.00 0.52 O ATOM 0 H GLU A 104 8.900 6.354 5.291 1.00 0.34 H new ATOM 0 HA GLU A 104 10.906 4.453 5.574 1.00 0.38 H new ATOM 0 HB2 GLU A 104 11.077 7.365 4.703 1.00 0.42 H new ATOM 0 HB3 GLU A 104 12.363 6.194 4.484 1.00 0.42 H new ATOM 0 HG2 GLU A 104 10.816 4.819 3.068 1.00 0.45 H new ATOM 0 HG3 GLU A 104 9.599 6.070 3.231 1.00 0.45 H new ATOM 1615 N ASN A 105 11.321 7.158 7.441 1.00 0.41 N ATOM 1616 CA ASN A 105 12.060 7.742 8.556 1.00 0.47 C ATOM 1617 C ASN A 105 11.779 7.016 9.871 1.00 0.46 C ATOM 1618 O ASN A 105 12.646 6.929 10.745 1.00 0.50 O ATOM 1619 CB ASN A 105 11.703 9.227 8.693 1.00 0.53 C ATOM 1620 CG ASN A 105 12.513 9.930 9.769 1.00 1.24 C ATOM 1621 OD1 ASN A 105 12.094 10.016 10.923 1.00 2.01 O ATOM 1622 ND2 ASN A 105 13.678 10.440 9.400 1.00 1.70 N ATOM 0 H ASN A 105 10.602 7.769 7.052 1.00 0.41 H new ATOM 0 HA ASN A 105 13.123 7.635 8.342 1.00 0.47 H new ATOM 0 HB2 ASN A 105 11.867 9.725 7.737 1.00 0.53 H new ATOM 0 HB3 ASN A 105 10.642 9.321 8.924 1.00 0.53 H new ATOM 0 HD21 ASN A 105 14.262 10.924 10.082 1.00 1.70 H new ATOM 0 HD22 ASN A 105 13.992 10.349 8.434 1.00 1.70 H new ATOM 1629 N ALA A 106 10.579 6.475 10.005 1.00 0.45 N ATOM 1630 CA ALA A 106 10.164 5.879 11.266 1.00 0.48 C ATOM 1631 C ALA A 106 10.578 4.411 11.380 1.00 0.50 C ATOM 1632 O ALA A 106 11.155 4.002 12.385 1.00 0.66 O ATOM 1633 CB ALA A 106 8.658 6.014 11.437 1.00 0.52 C ATOM 0 H ALA A 106 9.880 6.436 9.263 1.00 0.45 H new ATOM 0 HA ALA A 106 10.673 6.420 12.063 1.00 0.48 H new ATOM 0 HB1 ALA A 106 8.358 5.565 12.384 1.00 0.52 H new ATOM 0 HB2 ALA A 106 8.384 7.069 11.433 1.00 0.52 H new ATOM 0 HB3 ALA A 106 8.152 5.505 10.617 1.00 0.52 H new ATOM 1639 N ARG A 107 10.306 3.627 10.344 1.00 0.43 N ATOM 1640 CA ARG A 107 10.493 2.178 10.434 1.00 0.47 C ATOM 1641 C ARG A 107 11.867 1.721 9.950 1.00 0.48 C ATOM 1642 O ARG A 107 12.196 0.538 10.037 1.00 0.56 O ATOM 1643 CB ARG A 107 9.398 1.453 9.646 1.00 0.51 C ATOM 1644 CG ARG A 107 7.980 1.855 10.044 1.00 0.59 C ATOM 1645 CD ARG A 107 7.684 1.569 11.517 1.00 0.72 C ATOM 1646 NE ARG A 107 7.792 0.146 11.838 1.00 0.81 N ATOM 1647 CZ ARG A 107 6.937 -0.508 12.625 1.00 1.10 C ATOM 1648 NH1 ARG A 107 5.923 0.133 13.198 1.00 1.35 N ATOM 1649 NH2 ARG A 107 7.100 -1.807 12.846 1.00 1.26 N ATOM 0 H ARG A 107 9.960 3.960 9.444 1.00 0.43 H new ATOM 0 HA ARG A 107 10.425 1.921 11.491 1.00 0.47 H new ATOM 0 HB2 ARG A 107 9.537 1.652 8.583 1.00 0.51 H new ATOM 0 HB3 ARG A 107 9.514 0.378 9.787 1.00 0.51 H new ATOM 0 HG2 ARG A 107 7.838 2.918 9.847 1.00 0.59 H new ATOM 0 HG3 ARG A 107 7.265 1.317 9.422 1.00 0.59 H new ATOM 0 HD2 ARG A 107 8.377 2.134 12.141 1.00 0.72 H new ATOM 0 HD3 ARG A 107 6.680 1.919 11.758 1.00 0.72 H new ATOM 0 HE ARG A 107 8.569 -0.378 11.435 1.00 0.81 H new ATOM 0 HH11 ARG A 107 5.795 1.132 13.037 1.00 1.35 H new ATOM 0 HH12 ARG A 107 5.273 -0.374 13.799 1.00 1.35 H new ATOM 0 HH21 ARG A 107 7.879 -2.304 12.414 1.00 1.26 H new ATOM 0 HH22 ARG A 107 6.446 -2.308 13.448 1.00 1.26 H new ATOM 1663 N GLY A 108 12.673 2.649 9.450 1.00 0.45 N ATOM 1664 CA GLY A 108 14.003 2.284 8.993 1.00 0.49 C ATOM 1665 C GLY A 108 13.975 1.699 7.599 1.00 0.46 C ATOM 1666 O GLY A 108 14.565 0.648 7.332 1.00 0.50 O ATOM 0 H GLY A 108 12.435 3.636 9.353 1.00 0.45 H new ATOM 0 HA2 GLY A 108 14.646 3.164 9.005 1.00 0.49 H new ATOM 0 HA3 GLY A 108 14.439 1.561 9.682 1.00 0.49 H new ATOM 1670 N VAL A 109 13.289 2.395 6.713 1.00 0.42 N ATOM 1671 CA VAL A 109 13.118 1.958 5.341 1.00 0.41 C ATOM 1672 C VAL A 109 13.697 3.017 4.412 1.00 0.43 C ATOM 1673 O VAL A 109 13.545 4.212 4.668 1.00 0.46 O ATOM 1674 CB VAL A 109 11.622 1.713 5.018 1.00 0.39 C ATOM 1675 CG1 VAL A 109 11.407 1.422 3.542 1.00 0.42 C ATOM 1676 CG2 VAL A 109 11.070 0.572 5.861 1.00 0.43 C ATOM 0 H VAL A 109 12.833 3.282 6.925 1.00 0.42 H new ATOM 0 HA VAL A 109 13.644 1.014 5.197 1.00 0.41 H new ATOM 0 HB VAL A 109 11.083 2.628 5.262 1.00 0.39 H new ATOM 0 HG11 VAL A 109 10.346 1.256 3.355 1.00 0.42 H new ATOM 0 HG12 VAL A 109 11.751 2.270 2.950 1.00 0.42 H new ATOM 0 HG13 VAL A 109 11.969 0.531 3.261 1.00 0.42 H new ATOM 0 HG21 VAL A 109 10.019 0.416 5.619 1.00 0.43 H new ATOM 0 HG22 VAL A 109 11.630 -0.339 5.651 1.00 0.43 H new ATOM 0 HG23 VAL A 109 11.166 0.821 6.918 1.00 0.43 H new ATOM 1686 N ASP A 110 14.388 2.596 3.363 1.00 0.44 N ATOM 1687 CA ASP A 110 15.008 3.545 2.452 1.00 0.49 C ATOM 1688 C ASP A 110 14.870 3.069 1.012 1.00 0.54 C ATOM 1689 O ASP A 110 15.662 2.253 0.535 1.00 0.57 O ATOM 1690 CB ASP A 110 16.485 3.734 2.804 1.00 0.53 C ATOM 1691 CG ASP A 110 17.062 4.989 2.188 1.00 0.62 C ATOM 1692 OD1 ASP A 110 17.364 4.987 0.978 1.00 0.79 O ATOM 1693 OD2 ASP A 110 17.220 5.990 2.919 1.00 0.84 O ATOM 0 H ASP A 110 14.532 1.615 3.124 1.00 0.44 H new ATOM 0 HA ASP A 110 14.498 4.503 2.553 1.00 0.49 H new ATOM 0 HB2 ASP A 110 16.596 3.779 3.887 1.00 0.53 H new ATOM 0 HB3 ASP A 110 17.052 2.869 2.461 1.00 0.53 H new ATOM 1698 N PHE A 111 13.861 3.585 0.323 1.00 0.60 N ATOM 1699 CA PHE A 111 13.594 3.183 -1.053 1.00 0.68 C ATOM 1700 C PHE A 111 14.672 3.692 -2.008 1.00 0.77 C ATOM 1701 O PHE A 111 14.791 3.206 -3.132 1.00 0.90 O ATOM 1702 CB PHE A 111 12.216 3.672 -1.500 1.00 0.73 C ATOM 1703 CG PHE A 111 11.080 2.983 -0.794 1.00 0.66 C ATOM 1704 CD1 PHE A 111 10.643 1.735 -1.212 1.00 0.72 C ATOM 1705 CD2 PHE A 111 10.450 3.580 0.287 1.00 0.62 C ATOM 1706 CE1 PHE A 111 9.602 1.098 -0.566 1.00 0.71 C ATOM 1707 CE2 PHE A 111 9.409 2.947 0.937 1.00 0.61 C ATOM 1708 CZ PHE A 111 8.984 1.704 0.511 1.00 0.62 C ATOM 0 H PHE A 111 13.214 4.282 0.693 1.00 0.60 H new ATOM 0 HA PHE A 111 13.609 2.094 -1.084 1.00 0.68 H new ATOM 0 HB2 PHE A 111 12.145 4.746 -1.325 1.00 0.73 H new ATOM 0 HB3 PHE A 111 12.114 3.517 -2.574 1.00 0.73 H new ATOM 0 HD1 PHE A 111 11.123 1.256 -2.053 1.00 0.72 H new ATOM 0 HD2 PHE A 111 10.777 4.552 0.625 1.00 0.62 H new ATOM 0 HE1 PHE A 111 9.271 0.127 -0.902 1.00 0.71 H new ATOM 0 HE2 PHE A 111 8.927 3.424 1.778 1.00 0.61 H new ATOM 0 HZ PHE A 111 8.171 1.207 1.018 1.00 0.62 H new ATOM 1718 N GLY A 112 15.465 4.660 -1.557 1.00 0.76 N ATOM 1719 CA GLY A 112 16.565 5.140 -2.368 1.00 0.84 C ATOM 1720 C GLY A 112 17.719 4.160 -2.370 1.00 0.79 C ATOM 1721 O GLY A 112 18.427 4.017 -3.368 1.00 0.89 O ATOM 0 H GLY A 112 15.365 5.117 -0.650 1.00 0.76 H new ATOM 0 HA2 GLY A 112 16.222 5.302 -3.390 1.00 0.84 H new ATOM 0 HA3 GLY A 112 16.905 6.104 -1.989 1.00 0.84 H new ATOM 1725 N SER A 113 17.897 3.477 -1.249 1.00 0.71 N ATOM 1726 CA SER A 113 18.933 2.467 -1.118 1.00 0.70 C ATOM 1727 C SER A 113 18.416 1.111 -1.585 1.00 0.68 C ATOM 1728 O SER A 113 19.186 0.165 -1.762 1.00 0.72 O ATOM 1729 CB SER A 113 19.390 2.374 0.339 1.00 0.71 C ATOM 1730 OG SER A 113 19.732 3.653 0.851 1.00 1.38 O ATOM 0 H SER A 113 17.331 3.607 -0.411 1.00 0.71 H new ATOM 0 HA SER A 113 19.779 2.753 -1.742 1.00 0.70 H new ATOM 0 HB2 SER A 113 18.596 1.937 0.945 1.00 0.71 H new ATOM 0 HB3 SER A 113 20.250 1.708 0.412 1.00 0.71 H new ATOM 0 HG SER A 113 18.955 4.247 0.792 1.00 1.38 H new ATOM 1736 N ARG A 114 17.093 1.035 -1.768 1.00 0.68 N ATOM 1737 CA ARG A 114 16.421 -0.177 -2.239 1.00 0.75 C ATOM 1738 C ARG A 114 16.606 -1.318 -1.243 1.00 0.68 C ATOM 1739 O ARG A 114 16.611 -2.492 -1.610 1.00 0.72 O ATOM 1740 CB ARG A 114 16.934 -0.569 -3.630 1.00 0.91 C ATOM 1741 CG ARG A 114 16.741 0.526 -4.667 1.00 1.10 C ATOM 1742 CD ARG A 114 17.416 0.188 -5.986 1.00 1.31 C ATOM 1743 NE ARG A 114 16.764 -0.921 -6.681 1.00 1.48 N ATOM 1744 CZ ARG A 114 16.809 -1.099 -8.001 1.00 1.92 C ATOM 1745 NH1 ARG A 114 17.483 -0.251 -8.768 1.00 2.13 N ATOM 1746 NH2 ARG A 114 16.187 -2.135 -8.552 1.00 2.70 N ATOM 0 H ARG A 114 16.459 1.814 -1.593 1.00 0.68 H new ATOM 0 HA ARG A 114 15.353 0.028 -2.318 1.00 0.75 H new ATOM 0 HB2 ARG A 114 17.994 -0.816 -3.564 1.00 0.91 H new ATOM 0 HB3 ARG A 114 16.417 -1.470 -3.961 1.00 0.91 H new ATOM 0 HG2 ARG A 114 15.675 0.682 -4.835 1.00 1.10 H new ATOM 0 HG3 ARG A 114 17.144 1.463 -4.283 1.00 1.10 H new ATOM 0 HD2 ARG A 114 17.411 1.068 -6.629 1.00 1.31 H new ATOM 0 HD3 ARG A 114 18.460 -0.066 -5.802 1.00 1.31 H new ATOM 0 HE ARG A 114 16.244 -1.598 -6.123 1.00 1.48 H new ATOM 0 HH11 ARG A 114 17.969 0.541 -8.348 1.00 2.13 H new ATOM 0 HH12 ARG A 114 17.515 -0.391 -9.778 1.00 2.13 H new ATOM 0 HH21 ARG A 114 15.675 -2.794 -7.965 1.00 2.70 H new ATOM 0 HH22 ARG A 114 16.221 -2.272 -9.562 1.00 2.70 H new ATOM 1760 N THR A 115 16.750 -0.944 0.024 1.00 0.60 N ATOM 1761 CA THR A 115 16.943 -1.889 1.114 1.00 0.57 C ATOM 1762 C THR A 115 16.299 -1.339 2.385 1.00 0.52 C ATOM 1763 O THR A 115 15.787 -0.216 2.388 1.00 0.53 O ATOM 1764 CB THR A 115 18.443 -2.149 1.370 1.00 0.63 C ATOM 1765 OG1 THR A 115 19.177 -0.921 1.273 1.00 0.80 O ATOM 1766 CG2 THR A 115 19.010 -3.160 0.383 1.00 0.78 C ATOM 0 H THR A 115 16.736 0.031 0.324 1.00 0.60 H new ATOM 0 HA THR A 115 16.475 -2.833 0.834 1.00 0.57 H new ATOM 0 HB THR A 115 18.543 -2.560 2.375 1.00 0.63 H new ATOM 0 HG1 THR A 115 19.238 -0.650 0.333 1.00 0.80 H new ATOM 0 HG21 THR A 115 20.068 -3.319 0.592 1.00 0.78 H new ATOM 0 HG22 THR A 115 18.475 -4.104 0.482 1.00 0.78 H new ATOM 0 HG23 THR A 115 18.894 -2.781 -0.633 1.00 0.78 H new ATOM 1774 N GLN A 116 16.318 -2.116 3.459 1.00 0.50 N ATOM 1775 CA GLN A 116 15.744 -1.670 4.719 1.00 0.51 C ATOM 1776 C GLN A 116 16.533 -2.246 5.885 1.00 0.54 C ATOM 1777 O GLN A 116 17.164 -3.296 5.761 1.00 0.55 O ATOM 1778 CB GLN A 116 14.269 -2.081 4.813 1.00 0.50 C ATOM 1779 CG GLN A 116 14.052 -3.579 4.963 1.00 0.45 C ATOM 1780 CD GLN A 116 12.582 -3.952 5.020 1.00 0.55 C ATOM 1781 OE1 GLN A 116 11.738 -3.304 4.406 1.00 1.21 O ATOM 1782 NE2 GLN A 116 12.262 -4.991 5.771 1.00 1.00 N ATOM 0 H GLN A 116 16.722 -3.052 3.483 1.00 0.50 H new ATOM 0 HA GLN A 116 15.799 -0.582 4.763 1.00 0.51 H new ATOM 0 HB2 GLN A 116 13.814 -1.572 5.663 1.00 0.50 H new ATOM 0 HB3 GLN A 116 13.749 -1.737 3.919 1.00 0.50 H new ATOM 0 HG2 GLN A 116 14.522 -4.096 4.127 1.00 0.45 H new ATOM 0 HG3 GLN A 116 14.547 -3.925 5.871 1.00 0.45 H new ATOM 0 HE21 GLN A 116 12.990 -5.506 6.267 1.00 1.00 H new ATOM 0 HE22 GLN A 116 11.287 -5.279 5.855 1.00 1.00 H new ATOM 1791 N ALA A 117 16.509 -1.548 7.012 1.00 0.62 N ATOM 1792 CA ALA A 117 17.250 -1.976 8.191 1.00 0.68 C ATOM 1793 C ALA A 117 16.415 -2.918 9.045 1.00 0.68 C ATOM 1794 O ALA A 117 16.917 -3.527 9.989 1.00 0.84 O ATOM 1795 CB ALA A 117 17.688 -0.771 9.008 1.00 0.83 C ATOM 0 H ALA A 117 15.984 -0.682 7.135 1.00 0.62 H new ATOM 0 HA ALA A 117 18.137 -2.514 7.857 1.00 0.68 H new ATOM 0 HB1 ALA A 117 18.240 -1.108 9.885 1.00 0.83 H new ATOM 0 HB2 ALA A 117 18.328 -0.132 8.399 1.00 0.83 H new ATOM 0 HB3 ALA A 117 16.810 -0.208 9.326 1.00 0.83 H new ATOM 1801 N ASP A 118 15.142 -3.034 8.704 1.00 0.69 N ATOM 1802 CA ASP A 118 14.226 -3.875 9.459 1.00 0.73 C ATOM 1803 C ASP A 118 14.141 -5.261 8.832 1.00 0.67 C ATOM 1804 O ASP A 118 14.441 -5.438 7.651 1.00 0.67 O ATOM 1805 CB ASP A 118 12.831 -3.247 9.495 1.00 0.81 C ATOM 1806 CG ASP A 118 12.001 -3.746 10.662 1.00 0.81 C ATOM 1807 OD1 ASP A 118 11.509 -4.893 10.596 1.00 1.07 O ATOM 1808 OD2 ASP A 118 11.830 -3.001 11.645 1.00 1.04 O ATOM 0 H ASP A 118 14.719 -2.556 7.909 1.00 0.69 H new ATOM 0 HA ASP A 118 14.605 -3.963 10.477 1.00 0.73 H new ATOM 0 HB2 ASP A 118 12.925 -2.163 9.557 1.00 0.81 H new ATOM 0 HB3 ASP A 118 12.312 -3.469 8.563 1.00 0.81 H new ATOM 1813 N ALA A 119 13.733 -6.236 9.629 1.00 0.72 N ATOM 1814 CA ALA A 119 13.535 -7.588 9.142 1.00 0.73 C ATOM 1815 C ALA A 119 12.264 -7.664 8.306 1.00 0.66 C ATOM 1816 O ALA A 119 12.220 -8.347 7.282 1.00 0.73 O ATOM 1817 CB ALA A 119 13.468 -8.565 10.306 1.00 0.91 C ATOM 0 H ALA A 119 13.532 -6.113 10.621 1.00 0.72 H new ATOM 0 HA ALA A 119 14.381 -7.862 8.512 1.00 0.73 H new ATOM 0 HB1 ALA A 119 13.319 -9.575 9.925 1.00 0.91 H new ATOM 0 HB2 ALA A 119 14.400 -8.524 10.870 1.00 0.91 H new ATOM 0 HB3 ALA A 119 12.637 -8.297 10.958 1.00 0.91 H new ATOM 1823 N LEU A 120 11.242 -6.930 8.732 1.00 0.69 N ATOM 1824 CA LEU A 120 9.959 -6.927 8.049 1.00 0.63 C ATOM 1825 C LEU A 120 9.090 -5.794 8.579 1.00 0.57 C ATOM 1826 O LEU A 120 8.843 -5.705 9.783 1.00 0.65 O ATOM 1827 CB LEU A 120 9.248 -8.267 8.255 1.00 0.73 C ATOM 1828 CG LEU A 120 7.901 -8.413 7.550 1.00 0.69 C ATOM 1829 CD1 LEU A 120 8.068 -8.319 6.044 1.00 0.89 C ATOM 1830 CD2 LEU A 120 7.243 -9.725 7.933 1.00 1.00 C ATOM 0 H LEU A 120 11.281 -6.326 9.553 1.00 0.69 H new ATOM 0 HA LEU A 120 10.129 -6.778 6.983 1.00 0.63 H new ATOM 0 HB2 LEU A 120 9.907 -9.064 7.911 1.00 0.73 H new ATOM 0 HB3 LEU A 120 9.097 -8.418 9.324 1.00 0.73 H new ATOM 0 HG LEU A 120 7.256 -7.595 7.871 1.00 0.69 H new ATOM 0 HD11 LEU A 120 7.096 -8.426 5.563 1.00 0.89 H new ATOM 0 HD12 LEU A 120 8.497 -7.351 5.785 1.00 0.89 H new ATOM 0 HD13 LEU A 120 8.732 -9.113 5.701 1.00 0.89 H new ATOM 0 HD21 LEU A 120 6.284 -9.814 7.422 1.00 1.00 H new ATOM 0 HD22 LEU A 120 7.888 -10.554 7.641 1.00 1.00 H new ATOM 0 HD23 LEU A 120 7.084 -9.751 9.011 1.00 1.00 H new ATOM 1842 N VAL A 121 8.606 -4.942 7.690 1.00 0.50 N ATOM 1843 CA VAL A 121 7.771 -3.832 8.112 1.00 0.47 C ATOM 1844 C VAL A 121 6.313 -4.057 7.711 1.00 0.39 C ATOM 1845 O VAL A 121 5.918 -3.887 6.556 1.00 0.33 O ATOM 1846 CB VAL A 121 8.303 -2.472 7.590 1.00 0.49 C ATOM 1847 CG1 VAL A 121 8.564 -2.504 6.095 1.00 0.45 C ATOM 1848 CG2 VAL A 121 7.348 -1.340 7.950 1.00 0.50 C ATOM 0 H VAL A 121 8.774 -4.996 6.685 1.00 0.50 H new ATOM 0 HA VAL A 121 7.814 -3.789 9.200 1.00 0.47 H new ATOM 0 HB VAL A 121 9.257 -2.286 8.083 1.00 0.49 H new ATOM 0 HG11 VAL A 121 8.935 -1.532 5.770 1.00 0.45 H new ATOM 0 HG12 VAL A 121 9.307 -3.270 5.872 1.00 0.45 H new ATOM 0 HG13 VAL A 121 7.637 -2.733 5.569 1.00 0.45 H new ATOM 0 HG21 VAL A 121 7.743 -0.397 7.573 1.00 0.50 H new ATOM 0 HG22 VAL A 121 6.373 -1.530 7.501 1.00 0.50 H new ATOM 0 HG23 VAL A 121 7.244 -1.283 9.033 1.00 0.50 H new ATOM 1858 N LEU A 122 5.536 -4.500 8.680 1.00 0.41 N ATOM 1859 CA LEU A 122 4.108 -4.679 8.505 1.00 0.39 C ATOM 1860 C LEU A 122 3.378 -3.484 9.095 1.00 0.42 C ATOM 1861 O LEU A 122 3.696 -3.040 10.202 1.00 0.73 O ATOM 1862 CB LEU A 122 3.643 -5.970 9.188 1.00 0.50 C ATOM 1863 CG LEU A 122 4.379 -7.248 8.762 1.00 0.51 C ATOM 1864 CD1 LEU A 122 3.844 -8.453 9.522 1.00 0.66 C ATOM 1865 CD2 LEU A 122 4.256 -7.471 7.263 1.00 0.46 C ATOM 0 H LEU A 122 5.876 -4.746 9.610 1.00 0.41 H new ATOM 0 HA LEU A 122 3.884 -4.754 7.441 1.00 0.39 H new ATOM 0 HB2 LEU A 122 3.754 -5.850 10.266 1.00 0.50 H new ATOM 0 HB3 LEU A 122 2.579 -6.102 8.990 1.00 0.50 H new ATOM 0 HG LEU A 122 5.435 -7.125 9.004 1.00 0.51 H new ATOM 0 HD11 LEU A 122 4.378 -9.349 9.206 1.00 0.66 H new ATOM 0 HD12 LEU A 122 3.989 -8.302 10.592 1.00 0.66 H new ATOM 0 HD13 LEU A 122 2.781 -8.572 9.313 1.00 0.66 H new ATOM 0 HD21 LEU A 122 4.786 -8.382 6.986 1.00 0.46 H new ATOM 0 HD22 LEU A 122 3.204 -7.567 6.995 1.00 0.46 H new ATOM 0 HD23 LEU A 122 4.690 -6.624 6.732 1.00 0.46 H new ATOM 1877 N LEU A 123 2.409 -2.962 8.363 1.00 0.24 N ATOM 1878 CA LEU A 123 1.688 -1.775 8.790 1.00 0.24 C ATOM 1879 C LEU A 123 0.189 -2.045 8.784 1.00 0.24 C ATOM 1880 O LEU A 123 -0.446 -2.088 7.727 1.00 0.25 O ATOM 1881 CB LEU A 123 2.013 -0.580 7.885 1.00 0.26 C ATOM 1882 CG LEU A 123 3.490 -0.176 7.815 1.00 0.29 C ATOM 1883 CD1 LEU A 123 3.663 1.050 6.936 1.00 0.35 C ATOM 1884 CD2 LEU A 123 4.056 0.096 9.202 1.00 0.37 C ATOM 0 H LEU A 123 2.103 -3.343 7.468 1.00 0.24 H new ATOM 0 HA LEU A 123 2.003 -1.529 9.804 1.00 0.24 H new ATOM 0 HB2 LEU A 123 1.671 -0.809 6.876 1.00 0.26 H new ATOM 0 HB3 LEU A 123 1.437 0.279 8.229 1.00 0.26 H new ATOM 0 HG LEU A 123 4.041 -1.009 7.379 1.00 0.29 H new ATOM 0 HD11 LEU A 123 4.717 1.324 6.897 1.00 0.35 H new ATOM 0 HD12 LEU A 123 3.308 0.829 5.929 1.00 0.35 H new ATOM 0 HD13 LEU A 123 3.088 1.878 7.350 1.00 0.35 H new ATOM 0 HD21 LEU A 123 5.105 0.380 9.118 1.00 0.37 H new ATOM 0 HD22 LEU A 123 3.497 0.906 9.671 1.00 0.37 H new ATOM 0 HD23 LEU A 123 3.972 -0.803 9.812 1.00 0.37 H new ATOM 1896 N GLY A 124 -0.359 -2.253 9.970 1.00 0.27 N ATOM 1897 CA GLY A 124 -1.774 -2.525 10.097 1.00 0.28 C ATOM 1898 C GLY A 124 -2.546 -1.345 10.641 1.00 0.30 C ATOM 1899 O GLY A 124 -1.967 -0.455 11.263 1.00 0.34 O ATOM 0 H GLY A 124 0.154 -2.238 10.851 1.00 0.27 H new ATOM 0 HA2 GLY A 124 -2.176 -2.799 9.122 1.00 0.28 H new ATOM 0 HA3 GLY A 124 -1.918 -3.383 10.754 1.00 0.28 H new ATOM 1903 N GLY A 125 -3.853 -1.336 10.406 1.00 0.31 N ATOM 1904 CA GLY A 125 -4.702 -0.295 10.956 1.00 0.36 C ATOM 1905 C GLY A 125 -4.476 1.061 10.322 1.00 0.35 C ATOM 1906 O GLY A 125 -4.578 2.085 10.995 1.00 0.40 O ATOM 0 H GLY A 125 -4.341 -2.033 9.843 1.00 0.31 H new ATOM 0 HA2 GLY A 125 -5.746 -0.580 10.824 1.00 0.36 H new ATOM 0 HA3 GLY A 125 -4.525 -0.221 12.029 1.00 0.36 H new ATOM 1910 N LEU A 126 -4.151 1.081 9.042 1.00 0.31 N ATOM 1911 CA LEU A 126 -3.934 2.339 8.346 1.00 0.31 C ATOM 1912 C LEU A 126 -5.255 2.987 7.963 1.00 0.33 C ATOM 1913 O LEU A 126 -6.249 2.305 7.685 1.00 0.35 O ATOM 1914 CB LEU A 126 -3.061 2.147 7.104 1.00 0.31 C ATOM 1915 CG LEU A 126 -1.553 2.263 7.335 1.00 0.34 C ATOM 1916 CD1 LEU A 126 -1.075 1.248 8.359 1.00 0.38 C ATOM 1917 CD2 LEU A 126 -0.809 2.085 6.022 1.00 0.39 C ATOM 0 H LEU A 126 -4.032 0.248 8.466 1.00 0.31 H new ATOM 0 HA LEU A 126 -3.408 3.002 9.033 1.00 0.31 H new ATOM 0 HB2 LEU A 126 -3.272 1.165 6.681 1.00 0.31 H new ATOM 0 HB3 LEU A 126 -3.354 2.885 6.357 1.00 0.31 H new ATOM 0 HG LEU A 126 -1.344 3.258 7.729 1.00 0.34 H new ATOM 0 HD11 LEU A 126 0.000 1.354 8.502 1.00 0.38 H new ATOM 0 HD12 LEU A 126 -1.586 1.419 9.307 1.00 0.38 H new ATOM 0 HD13 LEU A 126 -1.296 0.241 8.004 1.00 0.38 H new ATOM 0 HD21 LEU A 126 0.264 2.169 6.197 1.00 0.39 H new ATOM 0 HD22 LEU A 126 -1.033 1.102 5.607 1.00 0.39 H new ATOM 0 HD23 LEU A 126 -1.123 2.856 5.318 1.00 0.39 H new ATOM 1929 N ASP A 127 -5.251 4.310 7.964 1.00 0.35 N ATOM 1930 CA ASP A 127 -6.418 5.099 7.598 1.00 0.41 C ATOM 1931 C ASP A 127 -6.130 5.839 6.300 1.00 0.39 C ATOM 1932 O ASP A 127 -5.010 5.794 5.791 1.00 0.45 O ATOM 1933 CB ASP A 127 -6.758 6.119 8.698 1.00 0.53 C ATOM 1934 CG ASP A 127 -7.172 5.479 10.008 1.00 0.82 C ATOM 1935 OD1 ASP A 127 -8.377 5.212 10.189 1.00 1.02 O ATOM 1936 OD2 ASP A 127 -6.299 5.261 10.873 1.00 1.11 O ATOM 0 H ASP A 127 -4.437 4.869 8.219 1.00 0.35 H new ATOM 0 HA ASP A 127 -7.268 4.428 7.473 1.00 0.41 H new ATOM 0 HB2 ASP A 127 -5.891 6.756 8.872 1.00 0.53 H new ATOM 0 HB3 ASP A 127 -7.563 6.765 8.348 1.00 0.53 H new ATOM 1941 N PHE A 128 -7.126 6.531 5.773 1.00 0.39 N ATOM 1942 CA PHE A 128 -6.942 7.324 4.567 1.00 0.42 C ATOM 1943 C PHE A 128 -6.970 8.800 4.922 1.00 0.49 C ATOM 1944 O PHE A 128 -7.424 9.638 4.146 1.00 0.61 O ATOM 1945 CB PHE A 128 -8.013 6.995 3.523 1.00 0.48 C ATOM 1946 CG PHE A 128 -7.878 5.612 2.949 1.00 0.45 C ATOM 1947 CD1 PHE A 128 -7.068 5.381 1.850 1.00 0.49 C ATOM 1948 CD2 PHE A 128 -8.571 4.546 3.500 1.00 0.55 C ATOM 1949 CE1 PHE A 128 -6.948 4.115 1.312 1.00 0.55 C ATOM 1950 CE2 PHE A 128 -8.455 3.275 2.967 1.00 0.61 C ATOM 1951 CZ PHE A 128 -7.614 3.049 1.902 1.00 0.58 C ATOM 0 H PHE A 128 -8.069 6.561 6.160 1.00 0.39 H new ATOM 0 HA PHE A 128 -5.974 7.081 4.130 1.00 0.42 H new ATOM 0 HB2 PHE A 128 -8.998 7.097 3.978 1.00 0.48 H new ATOM 0 HB3 PHE A 128 -7.958 7.724 2.714 1.00 0.48 H new ATOM 0 HD1 PHE A 128 -6.523 6.202 1.408 1.00 0.49 H new ATOM 0 HD2 PHE A 128 -9.209 4.710 4.356 1.00 0.55 H new ATOM 0 HE1 PHE A 128 -6.338 3.954 0.435 1.00 0.55 H new ATOM 0 HE2 PHE A 128 -9.025 2.460 3.387 1.00 0.61 H new ATOM 0 HZ PHE A 128 -7.472 2.046 1.526 1.00 0.58 H new ATOM 1961 N GLU A 129 -6.471 9.097 6.113 1.00 0.52 N ATOM 1962 CA GLU A 129 -6.453 10.452 6.629 1.00 0.63 C ATOM 1963 C GLU A 129 -5.458 11.303 5.852 1.00 0.64 C ATOM 1964 O GLU A 129 -4.241 11.134 5.976 1.00 0.80 O ATOM 1965 CB GLU A 129 -6.107 10.444 8.118 1.00 0.83 C ATOM 1966 CG GLU A 129 -6.046 11.824 8.742 1.00 1.58 C ATOM 1967 CD GLU A 129 -5.825 11.766 10.234 1.00 2.21 C ATOM 1968 OE1 GLU A 129 -4.666 11.564 10.655 1.00 2.54 O ATOM 1969 OE2 GLU A 129 -6.803 11.948 10.995 1.00 3.00 O ATOM 0 H GLU A 129 -6.069 8.405 6.745 1.00 0.52 H new ATOM 0 HA GLU A 129 -7.445 10.887 6.506 1.00 0.63 H new ATOM 0 HB2 GLU A 129 -6.848 9.848 8.650 1.00 0.83 H new ATOM 0 HB3 GLU A 129 -5.144 9.951 8.255 1.00 0.83 H new ATOM 0 HG2 GLU A 129 -5.241 12.395 8.279 1.00 1.58 H new ATOM 0 HG3 GLU A 129 -6.974 12.356 8.534 1.00 1.58 H new ATOM 1976 N ALA A 130 -5.992 12.197 5.037 1.00 0.73 N ATOM 1977 CA ALA A 130 -5.187 13.081 4.221 1.00 0.92 C ATOM 1978 C ALA A 130 -5.964 14.350 3.913 1.00 1.47 C ATOM 1979 O ALA A 130 -5.638 15.405 4.498 1.00 1.77 O ATOM 1980 CB ALA A 130 -4.772 12.387 2.937 1.00 0.97 C ATOM 1981 OXT ALA A 130 -6.916 14.282 3.114 1.00 2.26 O ATOM 0 H ALA A 130 -6.997 12.328 4.925 1.00 0.73 H new ATOM 0 HA ALA A 130 -4.285 13.346 4.772 1.00 0.92 H new ATOM 0 HB1 ALA A 130 -4.168 13.066 2.335 1.00 0.97 H new ATOM 0 HB2 ALA A 130 -4.189 11.497 3.176 1.00 0.97 H new ATOM 0 HB3 ALA A 130 -5.661 12.099 2.376 1.00 0.97 H new TER 1987 ALA A 130