USER MOD reduce.3.24.130724 H: found=0, std=0, add=760, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 757 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 3 THR OG1 : rot 180:sc= -0.0182 USER MOD Set 1.2: A 35 SER OG : rot -70:sc= 0.00232 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= -0.32 USER MOD Single : A 20 CYS SG : rot -126:sc= 0.808 USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.482 USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.206 USER MOD Single : A 24 SER OG : rot 180:sc= -0.0854 USER MOD Single : A 26 GLN : amide:sc= -0.19 K(o=-0.19,f=-1.4) USER MOD Single : A 29 THR OG1 : rot -11:sc= 0.706! USER MOD Single : A 30 GLN : amide:sc= -3.98! C(o=-4!,f=-4.8!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0035 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 118:sc= -0.195 USER MOD Single : A 36 ASN : amide:sc= -3.02 K(o=-3,f=-2.3) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -2.83 K(o=-2.8,f=-8.1!) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.585 USER MOD Single : A 63 THR OG1 : rot 68:sc= -0.118 USER MOD Single : A 65 THR OG1 : rot -160:sc= -1.15 USER MOD Single : A 71 ASN : amide:sc= -1.74 X(o=-1.7,f=-1.7!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0.0815 USER MOD Single : A 77 HIS : no HE2:sc= -2.11 K(o=-2.1,f=-7.6!) USER MOD Single : A 81 SER OG : rot -54:sc= 0.0307 USER MOD Single : A 83 SER OG : rot 180:sc= -0.361 USER MOD Single : A 89 SER OG : rot -39:sc= 1.25 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0.00388 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 0.962 0.377 0.352 1.00 21.41 N ATOM 2 CA PRO A 1 1.626 0.407 -0.955 1.00 10.25 C ATOM 3 C PRO A 1 1.418 -0.883 -1.741 1.00 1.24 C ATOM 4 O PRO A 1 0.633 -1.744 -1.343 1.00 73.51 O ATOM 5 CB PRO A 1 3.104 0.584 -0.597 1.00 70.55 C ATOM 6 CG PRO A 1 3.231 0.022 0.776 1.00 24.15 C ATOM 7 CD PRO A 1 1.925 0.309 1.464 1.00 63.00 C ATOM 0 H2 PRO A 1 0.337 -0.428 0.396 1.00 21.41 H new ATOM 0 H3 PRO A 1 0.383 1.210 0.456 1.00 21.41 H new ATOM 0 HA PRO A 1 1.231 1.196 -1.595 1.00 10.25 H new ATOM 0 HB2 PRO A 1 3.748 0.057 -1.301 1.00 70.55 H new ATOM 0 HB3 PRO A 1 3.395 1.634 -0.623 1.00 70.55 H new ATOM 0 HG2 PRO A 1 3.427 -1.050 0.742 1.00 24.15 H new ATOM 0 HG3 PRO A 1 4.063 0.481 1.310 1.00 24.15 H new ATOM 0 HD2 PRO A 1 1.664 -0.475 2.174 1.00 63.00 H new ATOM 0 HD3 PRO A 1 1.962 1.245 2.022 1.00 63.00 H new ATOM 15 N LEU A 2 2.126 -1.010 -2.857 1.00 64.32 N ATOM 16 CA LEU A 2 2.020 -2.197 -3.700 1.00 11.54 C ATOM 17 C LEU A 2 3.050 -2.160 -4.824 1.00 21.32 C ATOM 18 O LEU A 2 3.487 -1.089 -5.247 1.00 23.35 O ATOM 19 CB LEU A 2 0.611 -2.305 -4.286 1.00 44.34 C ATOM 20 CG LEU A 2 0.308 -1.393 -5.476 1.00 62.31 C ATOM 21 CD1 LEU A 2 0.401 -2.170 -6.781 1.00 5.54 C ATOM 22 CD2 LEU A 2 -1.068 -0.761 -5.327 1.00 31.43 C ATOM 0 H LEU A 2 2.780 -0.306 -3.200 1.00 64.32 H new ATOM 0 HA LEU A 2 2.217 -3.072 -3.081 1.00 11.54 H new ATOM 0 HB2 LEU A 2 0.445 -3.337 -4.593 1.00 44.34 H new ATOM 0 HB3 LEU A 2 -0.107 -2.088 -3.495 1.00 44.34 H new ATOM 0 HG LEU A 2 1.051 -0.596 -5.497 1.00 62.31 H new ATOM 0 HD11 LEU A 2 0.182 -1.505 -7.617 1.00 5.54 H new ATOM 0 HD12 LEU A 2 1.407 -2.575 -6.893 1.00 5.54 H new ATOM 0 HD13 LEU A 2 -0.320 -2.988 -6.770 1.00 5.54 H new ATOM 0 HD21 LEU A 2 -1.266 -0.115 -6.183 1.00 31.43 H new ATOM 0 HD22 LEU A 2 -1.825 -1.544 -5.280 1.00 31.43 H new ATOM 0 HD23 LEU A 2 -1.100 -0.170 -4.412 1.00 31.43 H new ATOM 34 N THR A 3 3.434 -3.338 -5.307 1.00 35.24 N ATOM 35 CA THR A 3 4.411 -3.442 -6.383 1.00 1.35 C ATOM 36 C THR A 3 3.894 -4.325 -7.512 1.00 61.11 C ATOM 37 O THR A 3 2.898 -5.031 -7.354 1.00 61.33 O ATOM 38 CB THR A 3 5.749 -4.010 -5.873 1.00 41.01 C ATOM 39 OG1 THR A 3 6.784 -3.759 -6.830 1.00 61.34 O ATOM 40 CG2 THR A 3 5.639 -5.506 -5.617 1.00 45.52 C ATOM 0 H THR A 3 3.082 -4.234 -4.969 1.00 35.24 H new ATOM 0 HA THR A 3 4.574 -2.433 -6.761 1.00 1.35 H new ATOM 0 HB THR A 3 5.995 -3.514 -4.934 1.00 41.01 H new ATOM 0 HG1 THR A 3 7.632 -4.122 -6.498 1.00 61.34 H new ATOM 0 HG21 THR A 3 6.596 -5.885 -5.258 1.00 45.52 H new ATOM 0 HG22 THR A 3 4.870 -5.691 -4.867 1.00 45.52 H new ATOM 0 HG23 THR A 3 5.372 -6.015 -6.543 1.00 45.52 H new ATOM 48 N ARG A 4 4.577 -4.281 -8.651 1.00 61.23 N ATOM 49 CA ARG A 4 4.186 -5.078 -9.808 1.00 12.11 C ATOM 50 C ARG A 4 4.823 -6.464 -9.754 1.00 54.53 C ATOM 51 O ARG A 4 5.814 -6.692 -9.061 1.00 12.35 O ATOM 52 CB ARG A 4 4.589 -4.369 -11.102 1.00 64.22 C ATOM 53 CG ARG A 4 3.451 -3.607 -11.760 1.00 13.34 C ATOM 54 CD ARG A 4 3.626 -2.104 -11.608 1.00 12.22 C ATOM 55 NE ARG A 4 4.843 -1.626 -12.258 1.00 24.34 N ATOM 56 CZ ARG A 4 5.352 -0.414 -12.066 1.00 54.01 C ATOM 57 NH1 ARG A 4 4.751 0.439 -11.248 1.00 33.33 N ATOM 58 NH2 ARG A 4 6.464 -0.053 -12.694 1.00 14.34 N ATOM 0 H ARG A 4 5.404 -3.702 -8.798 1.00 61.23 H new ATOM 0 HA ARG A 4 3.102 -5.194 -9.788 1.00 12.11 H new ATOM 0 HB2 ARG A 4 5.403 -3.676 -10.888 1.00 64.22 H new ATOM 0 HB3 ARG A 4 4.975 -5.107 -11.805 1.00 64.22 H new ATOM 0 HG2 ARG A 4 3.404 -3.864 -12.818 1.00 13.34 H new ATOM 0 HG3 ARG A 4 2.503 -3.911 -11.316 1.00 13.34 H new ATOM 0 HD2 ARG A 4 2.763 -1.594 -12.035 1.00 12.22 H new ATOM 0 HD3 ARG A 4 3.656 -1.848 -10.549 1.00 12.22 H new ATOM 0 HE ARG A 4 5.329 -2.257 -12.895 1.00 24.34 H new ATOM 0 HH11 ARG A 4 3.896 0.165 -10.764 1.00 33.33 H new ATOM 0 HH12 ARG A 4 5.144 1.369 -11.102 1.00 33.33 H new ATOM 0 HH21 ARG A 4 6.929 -0.706 -13.325 1.00 14.34 H new ATOM 0 HH22 ARG A 4 6.854 0.878 -12.546 1.00 14.34 H new ATOM 72 N PRO A 5 4.241 -7.412 -10.503 1.00 54.12 N ATOM 73 CA PRO A 5 4.734 -8.791 -10.558 1.00 62.10 C ATOM 74 C PRO A 5 6.071 -8.900 -11.284 1.00 32.11 C ATOM 75 O PRO A 5 6.126 -9.301 -12.447 1.00 31.13 O ATOM 76 CB PRO A 5 3.641 -9.528 -11.336 1.00 65.32 C ATOM 77 CG PRO A 5 2.991 -8.475 -12.166 1.00 21.45 C ATOM 78 CD PRO A 5 3.056 -7.211 -11.355 1.00 2.33 C ATOM 0 HA PRO A 5 4.917 -9.199 -9.564 1.00 62.10 H new ATOM 0 HB2 PRO A 5 4.062 -10.318 -11.958 1.00 65.32 H new ATOM 0 HB3 PRO A 5 2.925 -9.999 -10.663 1.00 65.32 H new ATOM 0 HG2 PRO A 5 3.507 -8.355 -13.118 1.00 21.45 H new ATOM 0 HG3 PRO A 5 1.959 -8.740 -12.394 1.00 21.45 H new ATOM 0 HD2 PRO A 5 3.162 -6.331 -11.990 1.00 2.33 H new ATOM 0 HD3 PRO A 5 2.153 -7.068 -10.761 1.00 2.33 H new ATOM 86 N TYR A 6 7.146 -8.541 -10.591 1.00 72.21 N ATOM 87 CA TYR A 6 8.482 -8.597 -11.171 1.00 5.02 C ATOM 88 C TYR A 6 9.409 -9.462 -10.322 1.00 72.40 C ATOM 89 O TYR A 6 9.546 -9.249 -9.117 1.00 3.23 O ATOM 90 CB TYR A 6 9.063 -7.188 -11.304 1.00 14.10 C ATOM 91 CG TYR A 6 9.622 -6.891 -12.677 1.00 4.33 C ATOM 92 CD1 TYR A 6 10.993 -6.806 -12.886 1.00 25.12 C ATOM 93 CD2 TYR A 6 8.781 -6.694 -13.764 1.00 54.43 C ATOM 94 CE1 TYR A 6 11.510 -6.534 -14.138 1.00 74.11 C ATOM 95 CE2 TYR A 6 9.288 -6.423 -15.020 1.00 51.33 C ATOM 96 CZ TYR A 6 10.653 -6.344 -15.202 1.00 51.31 C ATOM 97 OH TYR A 6 11.162 -6.073 -16.451 1.00 41.44 O ATOM 0 H TYR A 6 7.118 -8.208 -9.627 1.00 72.21 H new ATOM 0 HA TYR A 6 8.401 -9.045 -12.161 1.00 5.02 H new ATOM 0 HB2 TYR A 6 8.286 -6.460 -11.072 1.00 14.10 H new ATOM 0 HB3 TYR A 6 9.852 -7.058 -10.564 1.00 14.10 H new ATOM 0 HD1 TYR A 6 11.666 -6.955 -12.055 1.00 25.12 H new ATOM 0 HD2 TYR A 6 7.712 -6.754 -13.625 1.00 54.43 H new ATOM 0 HE1 TYR A 6 12.578 -6.471 -14.283 1.00 74.11 H new ATOM 0 HE2 TYR A 6 8.619 -6.274 -15.855 1.00 51.33 H new ATOM 0 HH TYR A 6 10.425 -5.967 -17.089 1.00 41.44 H new ATOM 107 N LEU A 7 10.043 -10.440 -10.960 1.00 30.03 N ATOM 108 CA LEU A 7 10.958 -11.339 -10.265 1.00 61.11 C ATOM 109 C LEU A 7 12.385 -11.165 -10.776 1.00 32.03 C ATOM 110 O LEU A 7 12.651 -11.311 -11.968 1.00 35.40 O ATOM 111 CB LEU A 7 10.513 -12.791 -10.446 1.00 61.42 C ATOM 112 CG LEU A 7 10.429 -13.293 -11.888 1.00 41.24 C ATOM 113 CD1 LEU A 7 11.548 -14.282 -12.175 1.00 74.34 C ATOM 114 CD2 LEU A 7 9.072 -13.927 -12.154 1.00 72.42 C ATOM 0 H LEU A 7 9.940 -10.631 -11.957 1.00 30.03 H new ATOM 0 HA LEU A 7 10.938 -11.089 -9.204 1.00 61.11 H new ATOM 0 HB2 LEU A 7 11.204 -13.433 -9.899 1.00 61.42 H new ATOM 0 HB3 LEU A 7 9.533 -12.910 -9.983 1.00 61.42 H new ATOM 0 HG LEU A 7 10.546 -12.440 -12.557 1.00 41.24 H new ATOM 0 HD11 LEU A 7 11.472 -14.628 -13.206 1.00 74.34 H new ATOM 0 HD12 LEU A 7 12.511 -13.795 -12.026 1.00 74.34 H new ATOM 0 HD13 LEU A 7 11.464 -15.133 -11.499 1.00 74.34 H new ATOM 0 HD21 LEU A 7 9.030 -14.278 -13.185 1.00 72.42 H new ATOM 0 HD22 LEU A 7 8.925 -14.769 -11.477 1.00 72.42 H new ATOM 0 HD23 LEU A 7 8.287 -13.189 -11.990 1.00 72.42 H new ATOM 126 N GLY A 8 13.301 -10.853 -9.864 1.00 33.35 N ATOM 127 CA GLY A 8 14.690 -10.667 -10.241 1.00 14.35 C ATOM 128 C GLY A 8 15.632 -11.530 -9.426 1.00 64.23 C ATOM 129 O GLY A 8 16.755 -11.124 -9.126 1.00 42.21 O ATOM 0 H GLY A 8 13.106 -10.726 -8.871 1.00 33.35 H new ATOM 0 HA2 GLY A 8 14.811 -10.901 -11.299 1.00 14.35 H new ATOM 0 HA3 GLY A 8 14.961 -9.619 -10.114 1.00 14.35 H new ATOM 133 N PHE A 9 15.176 -12.725 -9.066 1.00 33.00 N ATOM 134 CA PHE A 9 15.986 -13.648 -8.279 1.00 14.53 C ATOM 135 C PHE A 9 15.592 -15.094 -8.562 1.00 63.41 C ATOM 136 O PHE A 9 14.552 -15.359 -9.165 1.00 21.40 O ATOM 137 CB PHE A 9 15.832 -13.348 -6.786 1.00 72.31 C ATOM 138 CG PHE A 9 14.439 -13.573 -6.270 1.00 41.42 C ATOM 139 CD1 PHE A 9 13.422 -12.683 -6.574 1.00 53.35 C ATOM 140 CD2 PHE A 9 14.148 -14.673 -5.480 1.00 74.13 C ATOM 141 CE1 PHE A 9 12.139 -12.886 -6.102 1.00 31.23 C ATOM 142 CE2 PHE A 9 12.867 -14.882 -5.005 1.00 73.01 C ATOM 143 CZ PHE A 9 11.861 -13.987 -5.315 1.00 44.10 C ATOM 0 H PHE A 9 14.250 -13.077 -9.307 1.00 33.00 H new ATOM 0 HA PHE A 9 17.029 -13.512 -8.565 1.00 14.53 H new ATOM 0 HB2 PHE A 9 16.525 -13.975 -6.224 1.00 72.31 H new ATOM 0 HB3 PHE A 9 16.117 -12.312 -6.600 1.00 72.31 H new ATOM 0 HD1 PHE A 9 13.634 -11.820 -7.187 1.00 53.35 H new ATOM 0 HD2 PHE A 9 14.931 -15.375 -5.233 1.00 74.13 H new ATOM 0 HE1 PHE A 9 11.355 -12.185 -6.348 1.00 31.23 H new ATOM 0 HE2 PHE A 9 12.652 -15.745 -4.392 1.00 73.01 H new ATOM 0 HZ PHE A 9 10.860 -14.148 -4.943 1.00 44.10 H new ATOM 153 N ARG A 10 16.432 -16.026 -8.123 1.00 60.33 N ATOM 154 CA ARG A 10 16.174 -17.446 -8.331 1.00 30.11 C ATOM 155 C ARG A 10 15.946 -18.157 -7.000 1.00 62.53 C ATOM 156 O ARG A 10 16.523 -17.785 -5.978 1.00 51.04 O ATOM 157 CB ARG A 10 17.342 -18.095 -9.075 1.00 25.21 C ATOM 158 CG ARG A 10 16.937 -18.770 -10.375 1.00 41.22 C ATOM 159 CD ARG A 10 18.095 -19.542 -10.987 1.00 24.43 C ATOM 160 NE ARG A 10 19.081 -18.656 -11.600 1.00 70.43 N ATOM 161 CZ ARG A 10 20.268 -19.066 -12.033 1.00 42.34 C ATOM 162 NH1 ARG A 10 20.615 -20.340 -11.921 1.00 62.31 N ATOM 163 NH2 ARG A 10 21.111 -18.199 -12.581 1.00 31.13 N ATOM 0 H ARG A 10 17.297 -15.823 -7.621 1.00 60.33 H new ATOM 0 HA ARG A 10 15.271 -17.541 -8.934 1.00 30.11 H new ATOM 0 HB2 ARG A 10 18.093 -17.334 -9.289 1.00 25.21 H new ATOM 0 HB3 ARG A 10 17.812 -18.832 -8.424 1.00 25.21 H new ATOM 0 HG2 ARG A 10 16.104 -19.448 -10.190 1.00 41.22 H new ATOM 0 HG3 ARG A 10 16.585 -18.019 -11.082 1.00 41.22 H new ATOM 0 HD2 ARG A 10 18.577 -20.143 -10.216 1.00 24.43 H new ATOM 0 HD3 ARG A 10 17.713 -20.234 -11.738 1.00 24.43 H new ATOM 0 HE ARG A 10 18.845 -17.669 -11.701 1.00 70.43 H new ATOM 0 HH11 ARG A 10 19.970 -21.009 -11.501 1.00 62.31 H new ATOM 0 HH12 ARG A 10 21.527 -20.651 -12.255 1.00 62.31 H new ATOM 0 HH21 ARG A 10 20.847 -17.218 -12.670 1.00 31.13 H new ATOM 0 HH22 ARG A 10 22.022 -18.514 -12.913 1.00 31.13 H new ATOM 177 N VAL A 11 15.101 -19.183 -7.021 1.00 30.25 N ATOM 178 CA VAL A 11 14.797 -19.947 -5.817 1.00 21.34 C ATOM 179 C VAL A 11 14.821 -21.446 -6.096 1.00 53.21 C ATOM 180 O VAL A 11 14.177 -21.924 -7.030 1.00 0.42 O ATOM 181 CB VAL A 11 13.420 -19.565 -5.242 1.00 21.11 C ATOM 182 CG1 VAL A 11 13.482 -18.202 -4.569 1.00 32.42 C ATOM 183 CG2 VAL A 11 12.364 -19.581 -6.336 1.00 75.01 C ATOM 0 H VAL A 11 14.615 -19.504 -7.858 1.00 30.25 H new ATOM 0 HA VAL A 11 15.568 -19.704 -5.086 1.00 21.34 H new ATOM 0 HB VAL A 11 13.142 -20.303 -4.489 1.00 21.11 H new ATOM 0 HG11 VAL A 11 12.500 -17.949 -4.169 1.00 32.42 H new ATOM 0 HG12 VAL A 11 14.209 -18.230 -3.757 1.00 32.42 H new ATOM 0 HG13 VAL A 11 13.782 -17.449 -5.298 1.00 32.42 H new ATOM 0 HG21 VAL A 11 11.397 -19.309 -5.912 1.00 75.01 H new ATOM 0 HG22 VAL A 11 12.634 -18.866 -7.113 1.00 75.01 H new ATOM 0 HG23 VAL A 11 12.303 -20.580 -6.768 1.00 75.01 H new ATOM 193 N ALA A 12 15.567 -22.183 -5.280 1.00 0.31 N ATOM 194 CA ALA A 12 15.673 -23.628 -5.437 1.00 52.15 C ATOM 195 C ALA A 12 15.050 -24.356 -4.251 1.00 63.53 C ATOM 196 O ALA A 12 15.456 -24.159 -3.106 1.00 0.21 O ATOM 197 CB ALA A 12 17.129 -24.035 -5.605 1.00 21.45 C ATOM 0 H ALA A 12 16.107 -21.803 -4.503 1.00 0.31 H new ATOM 0 HA ALA A 12 15.123 -23.913 -6.334 1.00 52.15 H new ATOM 0 HB1 ALA A 12 17.193 -25.117 -5.721 1.00 21.45 H new ATOM 0 HB2 ALA A 12 17.543 -23.550 -6.489 1.00 21.45 H new ATOM 0 HB3 ALA A 12 17.696 -23.730 -4.725 1.00 21.45 H new ATOM 203 N VAL A 13 14.062 -25.200 -4.533 1.00 12.51 N ATOM 204 CA VAL A 13 13.383 -25.958 -3.489 1.00 23.11 C ATOM 205 C VAL A 13 14.193 -27.186 -3.087 1.00 42.31 C ATOM 206 O VAL A 13 14.620 -27.966 -3.937 1.00 22.12 O ATOM 207 CB VAL A 13 11.982 -26.407 -3.943 1.00 34.44 C ATOM 208 CG1 VAL A 13 12.077 -27.292 -5.176 1.00 45.13 C ATOM 209 CG2 VAL A 13 11.263 -27.130 -2.813 1.00 54.42 C ATOM 0 H VAL A 13 13.714 -25.376 -5.476 1.00 12.51 H new ATOM 0 HA VAL A 13 13.283 -25.295 -2.630 1.00 23.11 H new ATOM 0 HB VAL A 13 11.403 -25.521 -4.205 1.00 34.44 H new ATOM 0 HG11 VAL A 13 11.077 -27.599 -5.481 1.00 45.13 H new ATOM 0 HG12 VAL A 13 12.550 -26.737 -5.987 1.00 45.13 H new ATOM 0 HG13 VAL A 13 12.673 -28.175 -4.945 1.00 45.13 H new ATOM 0 HG21 VAL A 13 10.274 -27.441 -3.151 1.00 54.42 H new ATOM 0 HG22 VAL A 13 11.838 -28.008 -2.519 1.00 54.42 H new ATOM 0 HG23 VAL A 13 11.161 -26.460 -1.959 1.00 54.42 H new ATOM 219 N GLY A 14 14.401 -27.351 -1.784 1.00 53.41 N ATOM 220 CA GLY A 14 15.159 -28.486 -1.292 1.00 12.15 C ATOM 221 C GLY A 14 14.824 -28.826 0.147 1.00 20.31 C ATOM 222 O GLY A 14 13.749 -28.483 0.639 1.00 2.24 O ATOM 0 H GLY A 14 14.058 -26.719 -1.061 1.00 53.41 H new ATOM 0 HA2 GLY A 14 14.961 -29.353 -1.923 1.00 12.15 H new ATOM 0 HA3 GLY A 14 16.224 -28.270 -1.373 1.00 12.15 H new ATOM 226 N ARG A 15 15.746 -29.505 0.823 1.00 54.03 N ATOM 227 CA ARG A 15 15.541 -29.895 2.213 1.00 44.33 C ATOM 228 C ARG A 15 16.769 -29.563 3.056 1.00 31.13 C ATOM 229 O ARG A 15 17.903 -29.680 2.592 1.00 3.52 O ATOM 230 CB ARG A 15 15.235 -31.391 2.305 1.00 15.54 C ATOM 231 CG ARG A 15 13.758 -31.720 2.155 1.00 44.12 C ATOM 232 CD ARG A 15 13.266 -31.439 0.744 1.00 40.23 C ATOM 233 NE ARG A 15 12.537 -32.573 0.182 1.00 13.24 N ATOM 234 CZ ARG A 15 13.128 -33.649 -0.324 1.00 43.01 C ATOM 235 NH1 ARG A 15 14.451 -33.737 -0.339 1.00 61.20 N ATOM 236 NH2 ARG A 15 12.396 -34.640 -0.816 1.00 62.15 N ATOM 0 H ARG A 15 16.641 -29.796 0.431 1.00 54.03 H new ATOM 0 HA ARG A 15 14.692 -29.333 2.601 1.00 44.33 H new ATOM 0 HB2 ARG A 15 15.796 -31.916 1.532 1.00 15.54 H new ATOM 0 HB3 ARG A 15 15.587 -31.767 3.266 1.00 15.54 H new ATOM 0 HG2 ARG A 15 13.591 -32.770 2.397 1.00 44.12 H new ATOM 0 HG3 ARG A 15 13.179 -31.132 2.867 1.00 44.12 H new ATOM 0 HD2 ARG A 15 12.620 -30.561 0.754 1.00 40.23 H new ATOM 0 HD3 ARG A 15 14.116 -31.202 0.104 1.00 40.23 H new ATOM 0 HE ARG A 15 11.518 -32.536 0.178 1.00 13.24 H new ATOM 0 HH11 ARG A 15 15.017 -32.977 0.039 1.00 61.20 H new ATOM 0 HH12 ARG A 15 14.903 -34.565 -0.728 1.00 61.20 H new ATOM 0 HH21 ARG A 15 11.378 -34.576 -0.806 1.00 62.15 H new ATOM 0 HH22 ARG A 15 12.851 -35.466 -1.204 1.00 62.15 H new ATOM 250 N ASP A 16 16.534 -29.149 4.296 1.00 34.45 N ATOM 251 CA ASP A 16 17.620 -28.801 5.205 1.00 33.33 C ATOM 252 C ASP A 16 17.923 -29.955 6.156 1.00 5.01 C ATOM 253 O ASP A 16 17.332 -31.030 6.053 1.00 44.33 O ATOM 254 CB ASP A 16 17.263 -27.547 6.004 1.00 53.42 C ATOM 255 CG ASP A 16 15.832 -27.567 6.506 1.00 62.14 C ATOM 256 OD1 ASP A 16 15.281 -28.674 6.684 1.00 44.14 O ATOM 257 OD2 ASP A 16 15.264 -26.477 6.721 1.00 11.51 O ATOM 0 H ASP A 16 15.601 -29.046 4.695 1.00 34.45 H new ATOM 0 HA ASP A 16 18.510 -28.601 4.608 1.00 33.33 H new ATOM 0 HB2 ASP A 16 17.941 -27.455 6.852 1.00 53.42 H new ATOM 0 HB3 ASP A 16 17.413 -26.667 5.379 1.00 53.42 H new ATOM 262 N SER A 17 18.850 -29.725 7.081 1.00 12.51 N ATOM 263 CA SER A 17 19.236 -30.746 8.047 1.00 31.23 C ATOM 264 C SER A 17 18.133 -30.963 9.078 1.00 34.44 C ATOM 265 O SER A 17 18.010 -32.044 9.654 1.00 21.43 O ATOM 266 CB SER A 17 20.535 -30.348 8.750 1.00 23.32 C ATOM 267 OG SER A 17 21.631 -30.377 7.851 1.00 15.54 O ATOM 0 H SER A 17 19.347 -28.840 7.181 1.00 12.51 H new ATOM 0 HA SER A 17 19.394 -31.680 7.508 1.00 31.23 H new ATOM 0 HB2 SER A 17 20.433 -29.348 9.171 1.00 23.32 H new ATOM 0 HB3 SER A 17 20.725 -31.026 9.582 1.00 23.32 H new ATOM 0 HG SER A 17 22.449 -30.117 8.324 1.00 15.54 H new ATOM 273 N SER A 18 17.332 -29.927 9.306 1.00 74.41 N ATOM 274 CA SER A 18 16.240 -30.002 10.270 1.00 22.21 C ATOM 275 C SER A 18 15.099 -30.861 9.733 1.00 0.13 C ATOM 276 O SER A 18 14.782 -31.911 10.291 1.00 52.41 O ATOM 277 CB SER A 18 15.726 -28.600 10.600 1.00 3.54 C ATOM 278 OG SER A 18 15.508 -27.845 9.421 1.00 64.34 O ATOM 0 H SER A 18 17.419 -29.026 8.836 1.00 74.41 H new ATOM 0 HA SER A 18 16.623 -30.465 11.180 1.00 22.21 H new ATOM 0 HB2 SER A 18 14.797 -28.674 11.165 1.00 3.54 H new ATOM 0 HB3 SER A 18 16.446 -28.086 11.237 1.00 3.54 H new ATOM 0 HG SER A 18 15.178 -26.954 9.660 1.00 64.34 H new ATOM 284 N GLY A 19 14.485 -30.406 8.645 1.00 1.43 N ATOM 285 CA GLY A 19 13.386 -31.143 8.050 1.00 12.04 C ATOM 286 C GLY A 19 12.089 -30.359 8.061 1.00 14.21 C ATOM 287 O GLY A 19 11.038 -30.889 8.426 1.00 42.44 O ATOM 0 H GLY A 19 14.729 -29.540 8.165 1.00 1.43 H new ATOM 0 HA2 GLY A 19 13.641 -31.403 7.023 1.00 12.04 H new ATOM 0 HA3 GLY A 19 13.246 -32.079 8.590 1.00 12.04 H new ATOM 291 N CYS A 20 12.161 -29.094 7.662 1.00 12.24 N ATOM 292 CA CYS A 20 10.983 -28.234 7.630 1.00 71.12 C ATOM 293 C CYS A 20 10.621 -27.862 6.196 1.00 52.03 C ATOM 294 O CYS A 20 9.559 -27.294 5.939 1.00 52.12 O ATOM 295 CB CYS A 20 11.227 -26.968 8.452 1.00 42.21 C ATOM 296 SG CYS A 20 10.454 -26.988 10.086 1.00 30.02 S ATOM 0 H CYS A 20 13.022 -28.641 7.356 1.00 12.24 H new ATOM 0 HA CYS A 20 10.149 -28.785 8.065 1.00 71.12 H new ATOM 0 HB2 CYS A 20 12.301 -26.827 8.572 1.00 42.21 H new ATOM 0 HB3 CYS A 20 10.853 -26.109 7.895 1.00 42.21 H new ATOM 0 HG CYS A 20 9.720 -25.925 10.232 1.00 30.02 H new ATOM 302 N THR A 21 11.512 -28.185 5.263 1.00 13.41 N ATOM 303 CA THR A 21 11.288 -27.882 3.855 1.00 30.01 C ATOM 304 C THR A 21 11.241 -26.377 3.617 1.00 73.11 C ATOM 305 O THR A 21 10.211 -25.736 3.828 1.00 34.10 O ATOM 306 CB THR A 21 9.978 -28.512 3.346 1.00 33.24 C ATOM 307 OG1 THR A 21 9.557 -29.553 4.236 1.00 41.15 O ATOM 308 CG2 THR A 21 10.157 -29.077 1.945 1.00 1.04 C ATOM 0 H THR A 21 12.395 -28.656 5.458 1.00 13.41 H new ATOM 0 HA THR A 21 12.126 -28.308 3.303 1.00 30.01 H new ATOM 0 HB THR A 21 9.216 -27.734 3.311 1.00 33.24 H new ATOM 0 HG1 THR A 21 8.723 -29.947 3.907 1.00 41.15 H new ATOM 0 HG21 THR A 21 9.218 -29.516 1.607 1.00 1.04 H new ATOM 0 HG22 THR A 21 10.449 -28.277 1.265 1.00 1.04 H new ATOM 0 HG23 THR A 21 10.932 -29.843 1.958 1.00 1.04 H new ATOM 316 N THR A 22 12.363 -25.817 3.175 1.00 55.11 N ATOM 317 CA THR A 22 12.449 -24.387 2.908 1.00 1.22 C ATOM 318 C THR A 22 13.245 -24.112 1.637 1.00 11.45 C ATOM 319 O THR A 22 14.048 -24.939 1.205 1.00 44.35 O ATOM 320 CB THR A 22 13.103 -23.635 4.083 1.00 40.22 C ATOM 321 OG1 THR A 22 13.451 -22.305 3.681 1.00 73.34 O ATOM 322 CG2 THR A 22 14.346 -24.365 4.568 1.00 45.04 C ATOM 0 H THR A 22 13.225 -26.332 2.995 1.00 55.11 H new ATOM 0 HA THR A 22 11.428 -24.027 2.779 1.00 1.22 H new ATOM 0 HB THR A 22 12.385 -23.590 4.902 1.00 40.22 H new ATOM 0 HG1 THR A 22 13.865 -21.833 4.434 1.00 73.34 H new ATOM 0 HG21 THR A 22 14.790 -23.815 5.398 1.00 45.04 H new ATOM 0 HG22 THR A 22 14.073 -25.366 4.901 1.00 45.04 H new ATOM 0 HG23 THR A 22 15.067 -24.437 3.753 1.00 45.04 H new ATOM 330 N LEU A 23 13.018 -22.945 1.044 1.00 74.23 N ATOM 331 CA LEU A 23 13.715 -22.560 -0.179 1.00 33.25 C ATOM 332 C LEU A 23 14.891 -21.641 0.132 1.00 5.13 C ATOM 333 O LEU A 23 14.816 -20.801 1.029 1.00 52.32 O ATOM 334 CB LEU A 23 12.751 -21.865 -1.142 1.00 34.43 C ATOM 335 CG LEU A 23 11.828 -22.782 -1.946 1.00 23.41 C ATOM 336 CD1 LEU A 23 10.867 -23.515 -1.023 1.00 14.41 C ATOM 337 CD2 LEU A 23 11.063 -21.985 -2.992 1.00 3.20 C ATOM 0 H LEU A 23 12.357 -22.249 1.390 1.00 74.23 H new ATOM 0 HA LEU A 23 14.099 -23.465 -0.650 1.00 33.25 H new ATOM 0 HB2 LEU A 23 12.134 -21.173 -0.570 1.00 34.43 H new ATOM 0 HB3 LEU A 23 13.336 -21.267 -1.841 1.00 34.43 H new ATOM 0 HG LEU A 23 12.441 -23.522 -2.460 1.00 23.41 H new ATOM 0 HD11 LEU A 23 10.218 -24.163 -1.613 1.00 14.41 H new ATOM 0 HD12 LEU A 23 11.433 -24.118 -0.313 1.00 14.41 H new ATOM 0 HD13 LEU A 23 10.260 -22.790 -0.480 1.00 14.41 H new ATOM 0 HD21 LEU A 23 10.411 -22.654 -3.554 1.00 3.20 H new ATOM 0 HD22 LEU A 23 10.461 -21.222 -2.499 1.00 3.20 H new ATOM 0 HD23 LEU A 23 11.768 -21.508 -3.673 1.00 3.20 H new ATOM 349 N SER A 24 15.978 -21.805 -0.616 1.00 12.01 N ATOM 350 CA SER A 24 17.172 -20.991 -0.419 1.00 55.13 C ATOM 351 C SER A 24 17.353 -20.006 -1.570 1.00 40.02 C ATOM 352 O SER A 24 17.051 -20.318 -2.722 1.00 74.42 O ATOM 353 CB SER A 24 18.408 -21.883 -0.297 1.00 4.04 C ATOM 354 OG SER A 24 19.480 -21.187 0.316 1.00 21.42 O ATOM 0 H SER A 24 16.056 -22.494 -1.364 1.00 12.01 H new ATOM 0 HA SER A 24 17.049 -20.425 0.505 1.00 55.13 H new ATOM 0 HB2 SER A 24 18.164 -22.770 0.288 1.00 4.04 H new ATOM 0 HB3 SER A 24 18.711 -22.227 -1.286 1.00 4.04 H new ATOM 0 HG SER A 24 20.258 -21.779 0.384 1.00 21.42 H new ATOM 360 N ILE A 25 17.848 -18.816 -1.249 1.00 45.42 N ATOM 361 CA ILE A 25 18.071 -17.785 -2.255 1.00 45.14 C ATOM 362 C ILE A 25 19.457 -17.916 -2.879 1.00 73.33 C ATOM 363 O ILE A 25 20.452 -18.082 -2.175 1.00 33.35 O ATOM 364 CB ILE A 25 17.922 -16.373 -1.658 1.00 74.32 C ATOM 365 CG1 ILE A 25 17.893 -15.325 -2.772 1.00 44.22 C ATOM 366 CG2 ILE A 25 19.054 -16.088 -0.683 1.00 40.32 C ATOM 367 CD1 ILE A 25 16.496 -14.941 -3.205 1.00 51.42 C ATOM 0 H ILE A 25 18.102 -18.542 -0.300 1.00 45.42 H new ATOM 0 HA ILE A 25 17.313 -17.927 -3.025 1.00 45.14 H new ATOM 0 HB ILE A 25 16.979 -16.322 -1.113 1.00 74.32 H new ATOM 0 HG12 ILE A 25 18.418 -14.432 -2.433 1.00 44.22 H new ATOM 0 HG13 ILE A 25 18.439 -15.708 -3.634 1.00 44.22 H new ATOM 0 HG21 ILE A 25 18.935 -15.087 -0.270 1.00 40.32 H new ATOM 0 HG22 ILE A 25 19.031 -16.819 0.125 1.00 40.32 H new ATOM 0 HG23 ILE A 25 20.009 -16.154 -1.205 1.00 40.32 H new ATOM 0 HD11 ILE A 25 16.553 -14.194 -3.997 1.00 51.42 H new ATOM 0 HD12 ILE A 25 15.974 -15.824 -3.575 1.00 51.42 H new ATOM 0 HD13 ILE A 25 15.952 -14.528 -2.355 1.00 51.42 H new ATOM 379 N GLN A 26 19.512 -17.839 -4.205 1.00 63.10 N ATOM 380 CA GLN A 26 20.776 -17.948 -4.924 1.00 23.43 C ATOM 381 C GLN A 26 21.190 -16.601 -5.506 1.00 13.20 C ATOM 382 O GLN A 26 22.356 -16.389 -5.836 1.00 51.22 O ATOM 383 CB GLN A 26 20.664 -18.987 -6.041 1.00 32.10 C ATOM 384 CG GLN A 26 20.508 -20.412 -5.534 1.00 2.32 C ATOM 385 CD GLN A 26 19.430 -21.180 -6.272 1.00 55.51 C ATOM 386 OE1 GLN A 26 19.668 -22.276 -6.779 1.00 23.12 O ATOM 387 NE2 GLN A 26 18.233 -20.606 -6.337 1.00 25.43 N ATOM 0 H GLN A 26 18.697 -17.702 -4.803 1.00 63.10 H new ATOM 0 HA GLN A 26 21.541 -18.267 -4.216 1.00 23.43 H new ATOM 0 HB2 GLN A 26 19.810 -18.739 -6.672 1.00 32.10 H new ATOM 0 HB3 GLN A 26 21.552 -18.929 -6.670 1.00 32.10 H new ATOM 0 HG2 GLN A 26 21.458 -20.936 -5.638 1.00 2.32 H new ATOM 0 HG3 GLN A 26 20.270 -20.391 -4.470 1.00 2.32 H new ATOM 0 HE21 GLN A 26 18.079 -19.696 -5.902 1.00 25.43 H new ATOM 0 HE22 GLN A 26 17.468 -21.075 -6.821 1.00 25.43 H new ATOM 396 N GLU A 27 20.225 -15.694 -5.629 1.00 5.10 N ATOM 397 CA GLU A 27 20.490 -14.367 -6.173 1.00 25.11 C ATOM 398 C GLU A 27 20.097 -13.282 -5.175 1.00 52.53 C ATOM 399 O GLU A 27 19.817 -13.565 -4.011 1.00 34.15 O ATOM 400 CB GLU A 27 19.730 -14.169 -7.486 1.00 1.42 C ATOM 401 CG GLU A 27 20.579 -13.572 -8.596 1.00 75.23 C ATOM 402 CD GLU A 27 21.004 -14.604 -9.623 1.00 42.42 C ATOM 403 OE1 GLU A 27 21.381 -15.723 -9.218 1.00 20.14 O ATOM 404 OE2 GLU A 27 20.961 -14.292 -10.831 1.00 50.44 O ATOM 0 H GLU A 27 19.254 -15.854 -5.360 1.00 5.10 H new ATOM 0 HA GLU A 27 21.560 -14.288 -6.366 1.00 25.11 H new ATOM 0 HB2 GLU A 27 19.337 -15.130 -7.817 1.00 1.42 H new ATOM 0 HB3 GLU A 27 18.873 -13.520 -7.306 1.00 1.42 H new ATOM 0 HG2 GLU A 27 20.018 -12.780 -9.092 1.00 75.23 H new ATOM 0 HG3 GLU A 27 21.466 -13.110 -8.162 1.00 75.23 H new ATOM 411 N VAL A 28 20.079 -12.037 -5.641 1.00 14.41 N ATOM 412 CA VAL A 28 19.719 -10.908 -4.791 1.00 42.31 C ATOM 413 C VAL A 28 18.437 -10.241 -5.277 1.00 2.35 C ATOM 414 O VAL A 28 18.317 -9.877 -6.447 1.00 63.21 O ATOM 415 CB VAL A 28 20.846 -9.858 -4.746 1.00 34.21 C ATOM 416 CG1 VAL A 28 20.609 -8.869 -3.615 1.00 22.23 C ATOM 417 CG2 VAL A 28 22.199 -10.536 -4.598 1.00 63.21 C ATOM 0 H VAL A 28 20.309 -11.785 -6.602 1.00 14.41 H new ATOM 0 HA VAL A 28 19.561 -11.304 -3.788 1.00 42.31 H new ATOM 0 HB VAL A 28 20.843 -9.306 -5.686 1.00 34.21 H new ATOM 0 HG11 VAL A 28 21.415 -8.135 -3.599 1.00 22.23 H new ATOM 0 HG12 VAL A 28 19.658 -8.360 -3.770 1.00 22.23 H new ATOM 0 HG13 VAL A 28 20.585 -9.402 -2.665 1.00 22.23 H new ATOM 0 HG21 VAL A 28 22.984 -9.780 -4.568 1.00 63.21 H new ATOM 0 HG22 VAL A 28 22.217 -11.115 -3.674 1.00 63.21 H new ATOM 0 HG23 VAL A 28 22.368 -11.200 -5.446 1.00 63.21 H new ATOM 427 N THR A 29 17.479 -10.082 -4.369 1.00 11.52 N ATOM 428 CA THR A 29 16.205 -9.459 -4.704 1.00 14.32 C ATOM 429 C THR A 29 15.958 -8.218 -3.853 1.00 23.34 C ATOM 430 O THR A 29 14.969 -7.511 -4.042 1.00 71.53 O ATOM 431 CB THR A 29 15.032 -10.440 -4.513 1.00 4.42 C ATOM 432 OG1 THR A 29 13.787 -9.756 -4.693 1.00 2.23 O ATOM 433 CG2 THR A 29 15.075 -11.071 -3.129 1.00 51.33 C ATOM 0 H THR A 29 17.562 -10.376 -3.396 1.00 11.52 H new ATOM 0 HA THR A 29 16.261 -9.171 -5.754 1.00 14.32 H new ATOM 0 HB THR A 29 15.122 -11.230 -5.258 1.00 4.42 H new ATOM 0 HG1 THR A 29 13.947 -8.790 -4.727 1.00 2.23 H new ATOM 0 HG21 THR A 29 14.238 -11.760 -3.017 1.00 51.33 H new ATOM 0 HG22 THR A 29 16.011 -11.615 -3.006 1.00 51.33 H new ATOM 0 HG23 THR A 29 15.007 -10.291 -2.371 1.00 51.33 H new ATOM 441 N GLN A 30 16.864 -7.960 -2.915 1.00 64.12 N ATOM 442 CA GLN A 30 16.744 -6.804 -2.035 1.00 1.10 C ATOM 443 C GLN A 30 17.436 -5.586 -2.638 1.00 60.03 C ATOM 444 O GLN A 30 17.633 -4.573 -1.966 1.00 35.10 O ATOM 445 CB GLN A 30 17.342 -7.117 -0.662 1.00 50.03 C ATOM 446 CG GLN A 30 16.370 -7.806 0.282 1.00 11.51 C ATOM 447 CD GLN A 30 16.226 -9.287 -0.006 1.00 43.13 C ATOM 448 OE1 GLN A 30 15.116 -9.797 -0.159 1.00 51.41 O ATOM 449 NE2 GLN A 30 17.352 -9.987 -0.083 1.00 31.24 N ATOM 0 H GLN A 30 17.689 -8.536 -2.745 1.00 64.12 H new ATOM 0 HA GLN A 30 15.684 -6.577 -1.919 1.00 1.10 H new ATOM 0 HB2 GLN A 30 18.219 -7.751 -0.793 1.00 50.03 H new ATOM 0 HB3 GLN A 30 17.684 -6.189 -0.204 1.00 50.03 H new ATOM 0 HG2 GLN A 30 16.710 -7.671 1.309 1.00 11.51 H new ATOM 0 HG3 GLN A 30 15.393 -7.328 0.204 1.00 11.51 H new ATOM 0 HE21 GLN A 30 18.251 -9.524 0.050 1.00 31.24 H new ATOM 0 HE22 GLN A 30 17.318 -10.988 -0.276 1.00 31.24 H new ATOM 458 N THR A 31 17.805 -5.691 -3.911 1.00 54.04 N ATOM 459 CA THR A 31 18.476 -4.599 -4.605 1.00 61.32 C ATOM 460 C THR A 31 17.582 -4.002 -5.686 1.00 11.03 C ATOM 461 O THR A 31 18.056 -3.299 -6.578 1.00 53.34 O ATOM 462 CB THR A 31 19.795 -5.069 -5.248 1.00 12.01 C ATOM 463 OG1 THR A 31 19.671 -6.427 -5.683 1.00 60.44 O ATOM 464 CG2 THR A 31 20.949 -4.950 -4.264 1.00 11.30 C ATOM 0 H THR A 31 17.650 -6.522 -4.482 1.00 54.04 H new ATOM 0 HA THR A 31 18.695 -3.837 -3.857 1.00 61.32 H new ATOM 0 HB THR A 31 20.003 -4.430 -6.107 1.00 12.01 H new ATOM 0 HG1 THR A 31 20.513 -6.718 -6.092 1.00 60.44 H new ATOM 0 HG21 THR A 31 21.870 -5.287 -4.740 1.00 11.30 H new ATOM 0 HG22 THR A 31 21.059 -3.910 -3.957 1.00 11.30 H new ATOM 0 HG23 THR A 31 20.746 -5.567 -3.389 1.00 11.30 H new ATOM 472 N TYR A 32 16.287 -4.286 -5.599 1.00 2.42 N ATOM 473 CA TYR A 32 15.327 -3.777 -6.571 1.00 35.32 C ATOM 474 C TYR A 32 14.239 -2.956 -5.884 1.00 62.51 C ATOM 475 O TYR A 32 13.852 -3.240 -4.750 1.00 23.31 O ATOM 476 CB TYR A 32 14.694 -4.934 -7.347 1.00 44.33 C ATOM 477 CG TYR A 32 15.586 -5.493 -8.433 1.00 30.12 C ATOM 478 CD1 TYR A 32 15.659 -4.886 -9.681 1.00 13.14 C ATOM 479 CD2 TYR A 32 16.355 -6.629 -8.211 1.00 52.13 C ATOM 480 CE1 TYR A 32 16.471 -5.394 -10.676 1.00 2.32 C ATOM 481 CE2 TYR A 32 17.171 -7.143 -9.200 1.00 42.21 C ATOM 482 CZ TYR A 32 17.226 -6.522 -10.431 1.00 11.15 C ATOM 483 OH TYR A 32 18.037 -7.032 -11.419 1.00 11.45 O ATOM 0 H TYR A 32 15.878 -4.866 -4.866 1.00 2.42 H new ATOM 0 HA TYR A 32 15.861 -3.130 -7.267 1.00 35.32 H new ATOM 0 HB2 TYR A 32 14.440 -5.732 -6.650 1.00 44.33 H new ATOM 0 HB3 TYR A 32 13.761 -4.593 -7.795 1.00 44.33 H new ATOM 0 HD1 TYR A 32 15.071 -4.002 -9.876 1.00 13.14 H new ATOM 0 HD2 TYR A 32 16.314 -7.118 -7.249 1.00 52.13 H new ATOM 0 HE1 TYR A 32 16.515 -4.911 -11.641 1.00 2.32 H new ATOM 0 HE2 TYR A 32 17.763 -8.026 -9.011 1.00 42.21 H new ATOM 0 HH TYR A 32 18.501 -7.827 -11.083 1.00 11.45 H new ATOM 493 N THR A 33 13.748 -1.936 -6.581 1.00 4.13 N ATOM 494 CA THR A 33 12.706 -1.072 -6.040 1.00 62.51 C ATOM 495 C THR A 33 11.874 -0.450 -7.156 1.00 5.14 C ATOM 496 O THR A 33 12.335 -0.322 -8.289 1.00 71.33 O ATOM 497 CB THR A 33 13.302 0.051 -5.171 1.00 42.33 C ATOM 498 OG1 THR A 33 14.303 -0.483 -4.297 1.00 74.53 O ATOM 499 CG2 THR A 33 12.218 0.734 -4.352 1.00 0.44 C ATOM 0 H THR A 33 14.055 -1.688 -7.521 1.00 4.13 H new ATOM 0 HA THR A 33 12.066 -1.699 -5.420 1.00 62.51 H new ATOM 0 HB THR A 33 13.755 0.789 -5.832 1.00 42.33 H new ATOM 0 HG1 THR A 33 15.168 -0.069 -4.499 1.00 74.53 H new ATOM 0 HG21 THR A 33 12.663 1.523 -3.746 1.00 0.44 H new ATOM 0 HG22 THR A 33 11.474 1.166 -5.021 1.00 0.44 H new ATOM 0 HG23 THR A 33 11.739 0.003 -3.701 1.00 0.44 H new ATOM 507 N GLY A 34 10.646 -0.063 -6.826 1.00 52.22 N ATOM 508 CA GLY A 34 9.769 0.543 -7.812 1.00 25.32 C ATOM 509 C GLY A 34 8.614 1.291 -7.178 1.00 52.31 C ATOM 510 O GLY A 34 8.170 2.316 -7.696 1.00 63.04 O ATOM 0 H GLY A 34 10.242 -0.158 -5.894 1.00 52.22 H new ATOM 0 HA2 GLY A 34 10.345 1.229 -8.433 1.00 25.32 H new ATOM 0 HA3 GLY A 34 9.378 -0.232 -8.471 1.00 25.32 H new ATOM 514 N SER A 35 8.123 0.778 -6.054 1.00 44.14 N ATOM 515 CA SER A 35 7.008 1.402 -5.352 1.00 61.00 C ATOM 516 C SER A 35 7.490 2.113 -4.091 1.00 34.42 C ATOM 517 O SER A 35 8.489 1.722 -3.488 1.00 55.03 O ATOM 518 CB SER A 35 5.955 0.353 -4.990 1.00 21.15 C ATOM 519 OG SER A 35 6.337 -0.933 -5.447 1.00 44.42 O ATOM 0 H SER A 35 8.480 -0.068 -5.610 1.00 44.14 H new ATOM 0 HA SER A 35 6.560 2.141 -6.016 1.00 61.00 H new ATOM 0 HB2 SER A 35 5.815 0.331 -3.909 1.00 21.15 H new ATOM 0 HB3 SER A 35 4.997 0.629 -5.430 1.00 21.15 H new ATOM 0 HG SER A 35 6.284 -0.962 -6.425 1.00 44.42 H new ATOM 525 N ASN A 36 6.771 3.159 -3.698 1.00 12.22 N ATOM 526 CA ASN A 36 7.124 3.926 -2.509 1.00 21.04 C ATOM 527 C ASN A 36 8.575 4.392 -2.573 1.00 42.54 C ATOM 528 O ASN A 36 9.234 4.550 -1.546 1.00 40.14 O ATOM 529 CB ASN A 36 6.903 3.085 -1.250 1.00 13.03 C ATOM 530 CG ASN A 36 6.020 3.785 -0.235 1.00 12.13 C ATOM 531 OD1 ASN A 36 6.117 4.997 -0.042 1.00 5.03 O ATOM 532 ND2 ASN A 36 5.152 3.023 0.420 1.00 31.51 N ATOM 0 H ASN A 36 5.940 3.495 -4.185 1.00 12.22 H new ATOM 0 HA ASN A 36 6.480 4.804 -2.470 1.00 21.04 H new ATOM 0 HB2 ASN A 36 6.450 2.133 -1.527 1.00 13.03 H new ATOM 0 HB3 ASN A 36 7.867 2.858 -0.794 1.00 13.03 H new ATOM 0 HD21 ASN A 36 4.532 3.438 1.115 1.00 31.51 H new ATOM 0 HD22 ASN A 36 5.106 2.022 0.228 1.00 31.51 H new ATOM 539 N GLY A 37 9.067 4.612 -3.789 1.00 50.31 N ATOM 540 CA GLY A 37 10.436 5.059 -3.966 1.00 4.03 C ATOM 541 C GLY A 37 10.849 5.101 -5.424 1.00 20.13 C ATOM 542 O GLY A 37 11.031 6.176 -5.994 1.00 31.30 O ATOM 0 H GLY A 37 8.541 4.488 -4.654 1.00 50.31 H new ATOM 0 HA2 GLY A 37 10.550 6.052 -3.531 1.00 4.03 H new ATOM 0 HA3 GLY A 37 11.105 4.393 -3.421 1.00 4.03 H new ATOM 546 N GLY A 38 10.999 3.926 -6.029 1.00 0.51 N ATOM 547 CA GLY A 38 11.394 3.856 -7.424 1.00 32.24 C ATOM 548 C GLY A 38 12.883 4.066 -7.616 1.00 74.51 C ATOM 549 O GLY A 38 13.320 5.154 -7.988 1.00 72.15 O ATOM 0 H GLY A 38 10.854 3.022 -5.578 1.00 0.51 H new ATOM 0 HA2 GLY A 38 11.112 2.885 -7.830 1.00 32.24 H new ATOM 0 HA3 GLY A 38 10.848 4.610 -7.991 1.00 32.24 H new ATOM 553 N ALA A 39 13.664 3.021 -7.360 1.00 53.23 N ATOM 554 CA ALA A 39 15.112 3.096 -7.508 1.00 11.00 C ATOM 555 C ALA A 39 15.768 1.762 -7.169 1.00 71.34 C ATOM 556 O ALA A 39 16.078 1.488 -6.010 1.00 10.23 O ATOM 557 CB ALA A 39 15.676 4.202 -6.628 1.00 73.11 C ATOM 0 H ALA A 39 13.318 2.113 -7.049 1.00 53.23 H new ATOM 0 HA ALA A 39 15.334 3.326 -8.550 1.00 11.00 H new ATOM 0 HB1 ALA A 39 16.758 4.247 -6.749 1.00 73.11 H new ATOM 0 HB2 ALA A 39 15.239 5.157 -6.919 1.00 73.11 H new ATOM 0 HB3 ALA A 39 15.435 3.996 -5.585 1.00 73.11 H new ATOM 563 N ASP A 40 15.976 0.935 -8.188 1.00 32.20 N ATOM 564 CA ASP A 40 16.596 -0.372 -7.998 1.00 54.41 C ATOM 565 C ASP A 40 18.116 -0.252 -7.968 1.00 61.55 C ATOM 566 O ASP A 40 18.737 0.154 -8.952 1.00 20.33 O ATOM 567 CB ASP A 40 16.168 -1.329 -9.111 1.00 62.34 C ATOM 568 CG ASP A 40 16.625 -0.866 -10.481 1.00 24.24 C ATOM 569 OD1 ASP A 40 17.685 -1.339 -10.944 1.00 52.20 O ATOM 570 OD2 ASP A 40 15.924 -0.032 -11.089 1.00 54.03 O ATOM 0 H ASP A 40 15.725 1.146 -9.154 1.00 32.20 H new ATOM 0 HA ASP A 40 16.262 -0.770 -7.040 1.00 54.41 H new ATOM 0 HB2 ASP A 40 16.576 -2.320 -8.911 1.00 62.34 H new ATOM 0 HB3 ASP A 40 15.082 -1.424 -9.107 1.00 62.34 H new ATOM 575 N LEU A 41 18.710 -0.608 -6.835 1.00 2.02 N ATOM 576 CA LEU A 41 20.159 -0.540 -6.676 1.00 72.21 C ATOM 577 C LEU A 41 20.611 -1.336 -5.456 1.00 13.45 C ATOM 578 O LEU A 41 19.838 -2.101 -4.880 1.00 74.14 O ATOM 579 CB LEU A 41 20.610 0.916 -6.546 1.00 32.31 C ATOM 580 CG LEU A 41 21.901 1.286 -7.276 1.00 41.22 C ATOM 581 CD1 LEU A 41 21.601 1.727 -8.700 1.00 41.53 C ATOM 582 CD2 LEU A 41 22.645 2.379 -6.523 1.00 1.13 C ATOM 0 H LEU A 41 18.211 -0.947 -6.012 1.00 2.02 H new ATOM 0 HA LEU A 41 20.618 -0.978 -7.562 1.00 72.21 H new ATOM 0 HB2 LEU A 41 19.810 1.558 -6.916 1.00 32.31 H new ATOM 0 HB3 LEU A 41 20.737 1.143 -5.487 1.00 32.31 H new ATOM 0 HG LEU A 41 22.538 0.403 -7.317 1.00 41.22 H new ATOM 0 HD11 LEU A 41 22.532 1.987 -9.204 1.00 41.53 H new ATOM 0 HD12 LEU A 41 21.112 0.914 -9.237 1.00 41.53 H new ATOM 0 HD13 LEU A 41 20.944 2.597 -8.681 1.00 41.53 H new ATOM 0 HD21 LEU A 41 23.561 2.630 -7.057 1.00 1.13 H new ATOM 0 HD22 LEU A 41 22.014 3.265 -6.450 1.00 1.13 H new ATOM 0 HD23 LEU A 41 22.893 2.027 -5.522 1.00 1.13 H new ATOM 594 N MET A 42 21.867 -1.147 -5.065 1.00 32.03 N ATOM 595 CA MET A 42 22.420 -1.845 -3.910 1.00 3.42 C ATOM 596 C MET A 42 22.723 -0.868 -2.778 1.00 44.53 C ATOM 597 O MET A 42 23.545 0.036 -2.929 1.00 14.02 O ATOM 598 CB MET A 42 23.693 -2.598 -4.304 1.00 14.45 C ATOM 599 CG MET A 42 24.281 -3.429 -3.175 1.00 13.21 C ATOM 600 SD MET A 42 26.078 -3.314 -3.091 1.00 41.32 S ATOM 601 CE MET A 42 26.439 -4.552 -1.849 1.00 23.50 C ATOM 0 H MET A 42 22.520 -0.517 -5.530 1.00 32.03 H new ATOM 0 HA MET A 42 21.677 -2.561 -3.559 1.00 3.42 H new ATOM 0 HB2 MET A 42 23.472 -3.251 -5.148 1.00 14.45 H new ATOM 0 HB3 MET A 42 24.440 -1.880 -4.643 1.00 14.45 H new ATOM 0 HG2 MET A 42 23.855 -3.100 -2.227 1.00 13.21 H new ATOM 0 HG3 MET A 42 23.993 -4.472 -3.309 1.00 13.21 H new ATOM 0 HE1 MET A 42 27.516 -4.600 -1.685 1.00 23.50 H new ATOM 0 HE2 MET A 42 25.941 -4.287 -0.916 1.00 23.50 H new ATOM 0 HE3 MET A 42 26.080 -5.524 -2.189 1.00 23.50 H new ATOM 611 N GLY A 43 22.054 -1.055 -1.645 1.00 30.22 N ATOM 612 CA GLY A 43 22.266 -0.182 -0.505 1.00 73.21 C ATOM 613 C GLY A 43 21.627 -0.717 0.761 1.00 12.13 C ATOM 614 O GLY A 43 22.309 -1.133 1.698 1.00 13.44 O ATOM 0 H GLY A 43 21.369 -1.796 -1.496 1.00 30.22 H new ATOM 0 HA2 GLY A 43 23.336 -0.055 -0.343 1.00 73.21 H new ATOM 0 HA3 GLY A 43 21.858 0.804 -0.726 1.00 73.21 H new ATOM 618 N PRO A 44 20.286 -0.709 0.801 1.00 2.23 N ATOM 619 CA PRO A 44 19.526 -1.192 1.958 1.00 72.35 C ATOM 620 C PRO A 44 19.619 -2.705 2.121 1.00 22.52 C ATOM 621 O PRO A 44 19.300 -3.246 3.180 1.00 52.42 O ATOM 622 CB PRO A 44 18.088 -0.777 1.635 1.00 21.14 C ATOM 623 CG PRO A 44 18.044 -0.688 0.149 1.00 75.21 C ATOM 624 CD PRO A 44 19.409 -0.228 -0.279 1.00 43.45 C ATOM 0 HA PRO A 44 19.903 -0.781 2.894 1.00 72.35 H new ATOM 0 HB2 PRO A 44 17.371 -1.508 2.009 1.00 21.14 H new ATOM 0 HB3 PRO A 44 17.839 0.179 2.096 1.00 21.14 H new ATOM 0 HG2 PRO A 44 17.802 -1.655 -0.293 1.00 75.21 H new ATOM 0 HG3 PRO A 44 17.276 0.013 -0.177 1.00 75.21 H new ATOM 0 HD2 PRO A 44 19.691 -0.650 -1.244 1.00 43.45 H new ATOM 0 HD3 PRO A 44 19.454 0.856 -0.380 1.00 43.45 H new ATOM 632 N ALA A 45 20.059 -3.384 1.067 1.00 64.04 N ATOM 633 CA ALA A 45 20.197 -4.835 1.095 1.00 42.20 C ATOM 634 C ALA A 45 21.248 -5.267 2.112 1.00 11.22 C ATOM 635 O ALA A 45 21.015 -6.171 2.914 1.00 21.42 O ATOM 636 CB ALA A 45 20.553 -5.358 -0.289 1.00 32.33 C ATOM 0 H ALA A 45 20.326 -2.952 0.182 1.00 64.04 H new ATOM 0 HA ALA A 45 19.240 -5.260 1.397 1.00 42.20 H new ATOM 0 HB1 ALA A 45 20.653 -6.443 -0.253 1.00 32.33 H new ATOM 0 HB2 ALA A 45 19.766 -5.089 -0.993 1.00 32.33 H new ATOM 0 HB3 ALA A 45 21.496 -4.917 -0.613 1.00 32.33 H new ATOM 642 N PHE A 46 22.405 -4.615 2.074 1.00 43.15 N ATOM 643 CA PHE A 46 23.493 -4.933 2.991 1.00 30.13 C ATOM 644 C PHE A 46 23.215 -4.367 4.381 1.00 61.21 C ATOM 645 O PHE A 46 23.919 -4.677 5.341 1.00 25.22 O ATOM 646 CB PHE A 46 24.816 -4.380 2.458 1.00 24.25 C ATOM 647 CG PHE A 46 26.017 -4.859 3.223 1.00 3.12 C ATOM 648 CD1 PHE A 46 26.721 -3.994 4.045 1.00 24.24 C ATOM 649 CD2 PHE A 46 26.442 -6.174 3.119 1.00 3.33 C ATOM 650 CE1 PHE A 46 27.827 -4.432 4.751 1.00 52.52 C ATOM 651 CE2 PHE A 46 27.546 -6.617 3.822 1.00 5.25 C ATOM 652 CZ PHE A 46 28.240 -5.744 4.638 1.00 23.43 C ATOM 0 H PHE A 46 22.613 -3.863 1.418 1.00 43.15 H new ATOM 0 HA PHE A 46 23.566 -6.018 3.067 1.00 30.13 H new ATOM 0 HB2 PHE A 46 24.924 -4.665 1.411 1.00 24.25 H new ATOM 0 HB3 PHE A 46 24.785 -3.291 2.491 1.00 24.25 H new ATOM 0 HD1 PHE A 46 26.403 -2.966 4.136 1.00 24.24 H new ATOM 0 HD2 PHE A 46 25.904 -6.860 2.481 1.00 3.33 H new ATOM 0 HE1 PHE A 46 28.366 -3.748 5.390 1.00 52.52 H new ATOM 0 HE2 PHE A 46 27.866 -7.645 3.734 1.00 5.25 H new ATOM 0 HZ PHE A 46 29.104 -6.088 5.187 1.00 23.43 H new ATOM 662 N ALA A 47 22.184 -3.535 4.479 1.00 75.10 N ATOM 663 CA ALA A 47 21.811 -2.927 5.750 1.00 11.31 C ATOM 664 C ALA A 47 21.361 -3.983 6.753 1.00 31.24 C ATOM 665 O ALA A 47 21.661 -3.890 7.943 1.00 30.52 O ATOM 666 CB ALA A 47 20.713 -1.895 5.539 1.00 1.55 C ATOM 0 H ALA A 47 21.592 -3.266 3.693 1.00 75.10 H new ATOM 0 HA ALA A 47 22.690 -2.428 6.158 1.00 11.31 H new ATOM 0 HB1 ALA A 47 20.444 -1.449 6.496 1.00 1.55 H new ATOM 0 HB2 ALA A 47 21.070 -1.117 4.864 1.00 1.55 H new ATOM 0 HB3 ALA A 47 19.838 -2.379 5.105 1.00 1.55 H new ATOM 672 N ALA A 48 20.639 -4.987 6.265 1.00 11.43 N ATOM 673 CA ALA A 48 20.149 -6.061 7.119 1.00 32.25 C ATOM 674 C ALA A 48 21.055 -7.285 7.037 1.00 53.04 C ATOM 675 O ALA A 48 21.077 -8.116 7.944 1.00 41.51 O ATOM 676 CB ALA A 48 18.723 -6.431 6.737 1.00 1.32 C ATOM 0 H ALA A 48 20.381 -5.078 5.282 1.00 11.43 H new ATOM 0 HA ALA A 48 20.157 -5.704 8.149 1.00 32.25 H new ATOM 0 HB1 ALA A 48 18.370 -7.235 7.383 1.00 1.32 H new ATOM 0 HB2 ALA A 48 18.077 -5.561 6.855 1.00 1.32 H new ATOM 0 HB3 ALA A 48 18.699 -6.763 5.699 1.00 1.32 H new ATOM 682 N GLY A 49 21.801 -7.390 5.941 1.00 30.31 N ATOM 683 CA GLY A 49 22.698 -8.517 5.760 1.00 50.41 C ATOM 684 C GLY A 49 22.154 -9.539 4.782 1.00 65.12 C ATOM 685 O GLY A 49 22.629 -10.675 4.732 1.00 52.23 O ATOM 0 H GLY A 49 21.800 -6.715 5.176 1.00 30.31 H new ATOM 0 HA2 GLY A 49 23.663 -8.156 5.404 1.00 50.41 H new ATOM 0 HA3 GLY A 49 22.872 -8.997 6.723 1.00 50.41 H new ATOM 689 N LEU A 50 21.156 -9.138 4.003 1.00 11.10 N ATOM 690 CA LEU A 50 20.545 -10.028 3.022 1.00 64.40 C ATOM 691 C LEU A 50 21.522 -10.349 1.895 1.00 1.40 C ATOM 692 O LEU A 50 21.876 -9.477 1.101 1.00 44.00 O ATOM 693 CB LEU A 50 19.277 -9.394 2.448 1.00 20.32 C ATOM 694 CG LEU A 50 18.342 -8.731 3.460 1.00 75.14 C ATOM 695 CD1 LEU A 50 18.340 -7.222 3.275 1.00 55.51 C ATOM 696 CD2 LEU A 50 16.932 -9.288 3.327 1.00 33.32 C ATOM 0 H LEU A 50 20.752 -8.202 4.031 1.00 11.10 H new ATOM 0 HA LEU A 50 20.282 -10.958 3.526 1.00 64.40 H new ATOM 0 HB2 LEU A 50 19.570 -8.647 1.710 1.00 20.32 H new ATOM 0 HB3 LEU A 50 18.718 -10.164 1.917 1.00 20.32 H new ATOM 0 HG LEU A 50 18.706 -8.953 4.463 1.00 75.14 H new ATOM 0 HD11 LEU A 50 17.669 -6.767 4.004 1.00 55.51 H new ATOM 0 HD12 LEU A 50 19.349 -6.836 3.420 1.00 55.51 H new ATOM 0 HD13 LEU A 50 18.000 -6.979 2.268 1.00 55.51 H new ATOM 0 HD21 LEU A 50 16.280 -8.805 4.055 1.00 33.32 H new ATOM 0 HD22 LEU A 50 16.558 -9.096 2.321 1.00 33.32 H new ATOM 0 HD23 LEU A 50 16.947 -10.362 3.510 1.00 33.32 H new ATOM 708 N ARG A 51 21.952 -11.604 1.831 1.00 61.45 N ATOM 709 CA ARG A 51 22.887 -12.040 0.800 1.00 10.01 C ATOM 710 C ARG A 51 22.548 -13.448 0.319 1.00 44.23 C ATOM 711 O ARG A 51 21.843 -14.194 0.997 1.00 20.53 O ATOM 712 CB ARG A 51 24.320 -12.003 1.333 1.00 4.33 C ATOM 713 CG ARG A 51 25.254 -11.129 0.511 1.00 74.21 C ATOM 714 CD ARG A 51 26.562 -11.843 0.208 1.00 52.20 C ATOM 715 NE ARG A 51 27.253 -12.258 1.425 1.00 24.23 N ATOM 716 CZ ARG A 51 28.543 -12.576 1.466 1.00 35.11 C ATOM 717 NH1 ARG A 51 29.276 -12.526 0.363 1.00 3.10 N ATOM 718 NH2 ARG A 51 29.100 -12.945 2.612 1.00 2.23 N ATOM 0 H ARG A 51 21.668 -12.337 2.481 1.00 61.45 H new ATOM 0 HA ARG A 51 22.803 -11.356 -0.044 1.00 10.01 H new ATOM 0 HB2 ARG A 51 24.307 -11.640 2.361 1.00 4.33 H new ATOM 0 HB3 ARG A 51 24.715 -13.018 1.359 1.00 4.33 H new ATOM 0 HG2 ARG A 51 24.766 -10.850 -0.423 1.00 74.21 H new ATOM 0 HG3 ARG A 51 25.459 -10.205 1.052 1.00 74.21 H new ATOM 0 HD2 ARG A 51 26.363 -12.717 -0.412 1.00 52.20 H new ATOM 0 HD3 ARG A 51 27.210 -11.184 -0.370 1.00 52.20 H new ATOM 0 HE ARG A 51 26.717 -12.307 2.291 1.00 24.23 H new ATOM 0 HH11 ARG A 51 28.850 -12.243 -0.520 1.00 3.10 H new ATOM 0 HH12 ARG A 51 30.266 -12.770 0.397 1.00 3.10 H new ATOM 0 HH21 ARG A 51 28.538 -12.985 3.462 1.00 2.23 H new ATOM 0 HH22 ARG A 51 30.090 -13.189 2.643 1.00 2.23 H new ATOM 732 N VAL A 52 23.056 -13.804 -0.857 1.00 52.43 N ATOM 733 CA VAL A 52 22.808 -15.121 -1.430 1.00 30.54 C ATOM 734 C VAL A 52 23.267 -16.226 -0.485 1.00 25.22 C ATOM 735 O VAL A 52 24.438 -16.293 -0.113 1.00 44.43 O ATOM 736 CB VAL A 52 23.523 -15.289 -2.784 1.00 11.24 C ATOM 737 CG1 VAL A 52 22.903 -14.377 -3.831 1.00 50.32 C ATOM 738 CG2 VAL A 52 25.012 -15.012 -2.637 1.00 55.04 C ATOM 0 H VAL A 52 23.642 -13.198 -1.431 1.00 52.43 H new ATOM 0 HA VAL A 52 21.732 -15.201 -1.584 1.00 30.54 H new ATOM 0 HB VAL A 52 23.400 -16.320 -3.116 1.00 11.24 H new ATOM 0 HG11 VAL A 52 23.421 -14.509 -4.781 1.00 50.32 H new ATOM 0 HG12 VAL A 52 21.849 -14.628 -3.954 1.00 50.32 H new ATOM 0 HG13 VAL A 52 22.994 -13.339 -3.509 1.00 50.32 H new ATOM 0 HG21 VAL A 52 25.502 -15.135 -3.603 1.00 55.04 H new ATOM 0 HG22 VAL A 52 25.159 -13.992 -2.283 1.00 55.04 H new ATOM 0 HG23 VAL A 52 25.443 -15.711 -1.920 1.00 55.04 H new ATOM 748 N GLY A 53 22.336 -17.093 -0.099 1.00 60.34 N ATOM 749 CA GLY A 53 22.665 -18.185 0.799 1.00 52.40 C ATOM 750 C GLY A 53 21.718 -18.269 1.980 1.00 42.31 C ATOM 751 O GLY A 53 21.665 -19.287 2.670 1.00 12.31 O ATOM 0 H GLY A 53 21.360 -17.059 -0.392 1.00 60.34 H new ATOM 0 HA2 GLY A 53 22.638 -19.125 0.248 1.00 52.40 H new ATOM 0 HA3 GLY A 53 23.685 -18.058 1.163 1.00 52.40 H new ATOM 755 N ASP A 54 20.971 -17.196 2.214 1.00 13.12 N ATOM 756 CA ASP A 54 20.022 -17.152 3.321 1.00 73.03 C ATOM 757 C ASP A 54 18.616 -17.503 2.845 1.00 75.32 C ATOM 758 O ASP A 54 18.089 -16.880 1.924 1.00 72.25 O ATOM 759 CB ASP A 54 20.023 -15.766 3.967 1.00 3.03 C ATOM 760 CG ASP A 54 21.342 -15.444 4.643 1.00 51.45 C ATOM 761 OD1 ASP A 54 22.111 -16.387 4.924 1.00 41.35 O ATOM 762 OD2 ASP A 54 21.605 -14.248 4.889 1.00 30.32 O ATOM 0 H ASP A 54 21.004 -16.345 1.652 1.00 13.12 H new ATOM 0 HA ASP A 54 20.331 -17.890 4.061 1.00 73.03 H new ATOM 0 HB2 ASP A 54 19.814 -15.014 3.206 1.00 3.03 H new ATOM 0 HB3 ASP A 54 19.219 -15.709 4.700 1.00 3.03 H new ATOM 767 N GLN A 55 18.015 -18.505 3.479 1.00 71.34 N ATOM 768 CA GLN A 55 16.671 -18.940 3.118 1.00 34.11 C ATOM 769 C GLN A 55 15.620 -18.000 3.699 1.00 1.42 C ATOM 770 O GLN A 55 15.410 -17.959 4.912 1.00 24.53 O ATOM 771 CB GLN A 55 16.424 -20.367 3.612 1.00 52.25 C ATOM 772 CG GLN A 55 17.492 -21.355 3.174 1.00 63.43 C ATOM 773 CD GLN A 55 16.963 -22.771 3.052 1.00 3.13 C ATOM 774 OE1 GLN A 55 16.286 -23.112 2.082 1.00 43.22 O ATOM 775 NE2 GLN A 55 17.270 -23.605 4.039 1.00 10.53 N ATOM 0 H GLN A 55 18.437 -19.030 4.245 1.00 71.34 H new ATOM 0 HA GLN A 55 16.590 -18.920 2.031 1.00 34.11 H new ATOM 0 HB2 GLN A 55 16.370 -20.362 4.701 1.00 52.25 H new ATOM 0 HB3 GLN A 55 15.455 -20.707 3.247 1.00 52.25 H new ATOM 0 HG2 GLN A 55 17.901 -21.040 2.214 1.00 63.43 H new ATOM 0 HG3 GLN A 55 18.313 -21.338 3.891 1.00 63.43 H new ATOM 0 HE21 GLN A 55 17.834 -23.280 4.824 1.00 10.53 H new ATOM 0 HE22 GLN A 55 16.942 -24.570 4.012 1.00 10.53 H new ATOM 784 N LEU A 56 14.963 -17.244 2.827 1.00 55.13 N ATOM 785 CA LEU A 56 13.933 -16.302 3.253 1.00 30.41 C ATOM 786 C LEU A 56 12.552 -16.950 3.212 1.00 5.22 C ATOM 787 O LEU A 56 12.046 -17.291 2.143 1.00 44.41 O ATOM 788 CB LEU A 56 13.952 -15.058 2.364 1.00 71.15 C ATOM 789 CG LEU A 56 13.831 -15.306 0.860 1.00 71.44 C ATOM 790 CD1 LEU A 56 12.437 -14.945 0.369 1.00 22.45 C ATOM 791 CD2 LEU A 56 14.886 -14.515 0.102 1.00 45.53 C ATOM 0 H LEU A 56 15.125 -17.264 1.820 1.00 55.13 H new ATOM 0 HA LEU A 56 14.146 -16.009 4.281 1.00 30.41 H new ATOM 0 HB2 LEU A 56 13.136 -14.404 2.671 1.00 71.15 H new ATOM 0 HB3 LEU A 56 14.880 -14.518 2.549 1.00 71.15 H new ATOM 0 HG LEU A 56 13.997 -16.367 0.673 1.00 71.44 H new ATOM 0 HD11 LEU A 56 12.370 -15.128 -0.703 1.00 22.45 H new ATOM 0 HD12 LEU A 56 11.699 -15.556 0.888 1.00 22.45 H new ATOM 0 HD13 LEU A 56 12.242 -13.892 0.570 1.00 22.45 H new ATOM 0 HD21 LEU A 56 14.784 -14.704 -0.967 1.00 45.53 H new ATOM 0 HD22 LEU A 56 14.752 -13.451 0.297 1.00 45.53 H new ATOM 0 HD23 LEU A 56 15.878 -14.822 0.432 1.00 45.53 H new ATOM 803 N VAL A 57 11.947 -17.115 4.384 1.00 52.41 N ATOM 804 CA VAL A 57 10.623 -17.718 4.482 1.00 0.21 C ATOM 805 C VAL A 57 9.605 -16.723 5.027 1.00 54.54 C ATOM 806 O VAL A 57 8.469 -16.659 4.554 1.00 24.44 O ATOM 807 CB VAL A 57 10.640 -18.965 5.386 1.00 0.43 C ATOM 808 CG1 VAL A 57 11.395 -20.101 4.715 1.00 63.35 C ATOM 809 CG2 VAL A 57 11.252 -18.633 6.739 1.00 51.01 C ATOM 0 H VAL A 57 12.352 -16.840 5.279 1.00 52.41 H new ATOM 0 HA VAL A 57 10.334 -18.013 3.473 1.00 0.21 H new ATOM 0 HB VAL A 57 9.612 -19.290 5.547 1.00 0.43 H new ATOM 0 HG11 VAL A 57 11.396 -20.973 5.369 1.00 63.35 H new ATOM 0 HG12 VAL A 57 10.909 -20.354 3.773 1.00 63.35 H new ATOM 0 HG13 VAL A 57 12.422 -19.791 4.522 1.00 63.35 H new ATOM 0 HG21 VAL A 57 11.256 -19.525 7.365 1.00 51.01 H new ATOM 0 HG22 VAL A 57 12.275 -18.283 6.600 1.00 51.01 H new ATOM 0 HG23 VAL A 57 10.664 -17.853 7.223 1.00 51.01 H new ATOM 819 N ARG A 58 10.018 -15.946 6.023 1.00 64.04 N ATOM 820 CA ARG A 58 9.142 -14.953 6.632 1.00 32.44 C ATOM 821 C ARG A 58 7.815 -15.582 7.047 1.00 14.23 C ATOM 822 O ARG A 58 6.778 -14.918 7.059 1.00 0.40 O ATOM 823 CB ARG A 58 8.890 -13.799 5.661 1.00 1.20 C ATOM 824 CG ARG A 58 10.163 -13.167 5.123 1.00 44.01 C ATOM 825 CD ARG A 58 10.102 -12.989 3.614 1.00 63.11 C ATOM 826 NE ARG A 58 9.579 -11.678 3.238 1.00 64.31 N ATOM 827 CZ ARG A 58 10.273 -10.551 3.350 1.00 53.20 C ATOM 828 NH1 ARG A 58 11.511 -10.574 3.824 1.00 34.21 N ATOM 829 NH2 ARG A 58 9.728 -9.397 2.987 1.00 51.32 N ATOM 0 H ARG A 58 10.954 -15.985 6.425 1.00 64.04 H new ATOM 0 HA ARG A 58 9.637 -14.566 7.523 1.00 32.44 H new ATOM 0 HB2 ARG A 58 8.293 -14.163 4.824 1.00 1.20 H new ATOM 0 HB3 ARG A 58 8.299 -13.034 6.165 1.00 1.20 H new ATOM 0 HG2 ARG A 58 10.319 -12.199 5.599 1.00 44.01 H new ATOM 0 HG3 ARG A 58 11.018 -13.791 5.383 1.00 44.01 H new ATOM 0 HD2 ARG A 58 11.100 -13.115 3.193 1.00 63.11 H new ATOM 0 HD3 ARG A 58 9.473 -13.768 3.182 1.00 63.11 H new ATOM 0 HE ARG A 58 8.629 -11.625 2.869 1.00 64.31 H new ATOM 0 HH11 ARG A 58 11.934 -11.459 4.104 1.00 34.21 H new ATOM 0 HH12 ARG A 58 12.041 -9.707 3.909 1.00 34.21 H new ATOM 0 HH21 ARG A 58 8.776 -9.375 2.622 1.00 51.32 H new ATOM 0 HH22 ARG A 58 10.261 -8.532 3.073 1.00 51.32 H new ATOM 843 N PHE A 59 7.854 -16.866 7.387 1.00 64.15 N ATOM 844 CA PHE A 59 6.655 -17.585 7.801 1.00 41.15 C ATOM 845 C PHE A 59 6.931 -18.436 9.037 1.00 54.21 C ATOM 846 O PHE A 59 8.039 -18.936 9.225 1.00 42.31 O ATOM 847 CB PHE A 59 6.147 -18.471 6.661 1.00 12.50 C ATOM 848 CG PHE A 59 5.474 -17.703 5.559 1.00 1.43 C ATOM 849 CD1 PHE A 59 4.506 -16.754 5.849 1.00 62.42 C ATOM 850 CD2 PHE A 59 5.809 -17.929 4.234 1.00 23.31 C ATOM 851 CE1 PHE A 59 3.885 -16.046 4.837 1.00 5.44 C ATOM 852 CE2 PHE A 59 5.192 -17.223 3.219 1.00 64.43 C ATOM 853 CZ PHE A 59 4.228 -16.281 3.521 1.00 64.35 C ATOM 0 H PHE A 59 8.704 -17.430 7.384 1.00 64.15 H new ATOM 0 HA PHE A 59 5.889 -16.851 8.051 1.00 41.15 H new ATOM 0 HB2 PHE A 59 6.985 -19.029 6.244 1.00 12.50 H new ATOM 0 HB3 PHE A 59 5.446 -19.202 7.064 1.00 12.50 H new ATOM 0 HD1 PHE A 59 4.234 -16.566 6.877 1.00 62.42 H new ATOM 0 HD2 PHE A 59 6.561 -18.665 3.992 1.00 23.31 H new ATOM 0 HE1 PHE A 59 3.132 -15.310 5.076 1.00 5.44 H new ATOM 0 HE2 PHE A 59 5.463 -17.408 2.190 1.00 64.43 H new ATOM 0 HZ PHE A 59 3.744 -15.729 2.729 1.00 64.35 H new ATOM 863 N ALA A 60 5.913 -18.595 9.877 1.00 41.20 N ATOM 864 CA ALA A 60 6.044 -19.386 11.094 1.00 2.44 C ATOM 865 C ALA A 60 6.137 -20.874 10.775 1.00 13.20 C ATOM 866 O ALA A 60 5.158 -21.491 10.357 1.00 40.12 O ATOM 867 CB ALA A 60 4.873 -19.116 12.028 1.00 40.15 C ATOM 0 H ALA A 60 4.989 -18.186 9.737 1.00 41.20 H new ATOM 0 HA ALA A 60 6.967 -19.090 11.592 1.00 2.44 H new ATOM 0 HB1 ALA A 60 4.984 -19.714 12.933 1.00 40.15 H new ATOM 0 HB2 ALA A 60 4.854 -18.059 12.292 1.00 40.15 H new ATOM 0 HB3 ALA A 60 3.941 -19.382 11.529 1.00 40.15 H new ATOM 873 N GLY A 61 7.321 -21.445 10.975 1.00 52.15 N ATOM 874 CA GLY A 61 7.519 -22.856 10.702 1.00 60.44 C ATOM 875 C GLY A 61 8.766 -23.119 9.881 1.00 51.45 C ATOM 876 O GLY A 61 9.073 -24.265 9.554 1.00 31.41 O ATOM 0 H GLY A 61 8.146 -20.955 11.321 1.00 52.15 H new ATOM 0 HA2 GLY A 61 7.587 -23.399 11.645 1.00 60.44 H new ATOM 0 HA3 GLY A 61 6.650 -23.246 10.172 1.00 60.44 H new ATOM 880 N TYR A 62 9.485 -22.054 9.544 1.00 5.13 N ATOM 881 CA TYR A 62 10.704 -22.174 8.752 1.00 12.13 C ATOM 882 C TYR A 62 10.408 -22.789 7.388 1.00 64.40 C ATOM 883 O TYR A 62 11.188 -23.591 6.872 1.00 30.45 O ATOM 884 CB TYR A 62 11.738 -23.023 9.494 1.00 13.21 C ATOM 885 CG TYR A 62 11.729 -22.816 10.992 1.00 73.12 C ATOM 886 CD1 TYR A 62 11.718 -23.899 11.862 1.00 34.31 C ATOM 887 CD2 TYR A 62 11.730 -21.538 11.537 1.00 64.12 C ATOM 888 CE1 TYR A 62 11.709 -23.715 13.231 1.00 34.53 C ATOM 889 CE2 TYR A 62 11.723 -21.345 12.905 1.00 50.14 C ATOM 890 CZ TYR A 62 11.712 -22.436 13.748 1.00 71.54 C ATOM 891 OH TYR A 62 11.703 -22.248 15.111 1.00 61.13 O ATOM 0 H TYR A 62 9.245 -21.098 9.807 1.00 5.13 H new ATOM 0 HA TYR A 62 11.108 -21.173 8.599 1.00 12.13 H new ATOM 0 HB2 TYR A 62 11.553 -24.076 9.280 1.00 13.21 H new ATOM 0 HB3 TYR A 62 12.731 -22.790 9.109 1.00 13.21 H new ATOM 0 HD1 TYR A 62 11.716 -24.902 11.461 1.00 34.31 H new ATOM 0 HD2 TYR A 62 11.736 -20.681 10.880 1.00 64.12 H new ATOM 0 HE1 TYR A 62 11.700 -24.568 13.893 1.00 34.53 H new ATOM 0 HE2 TYR A 62 11.726 -20.345 13.312 1.00 50.14 H new ATOM 0 HH TYR A 62 11.708 -21.288 15.309 1.00 61.13 H new ATOM 901 N THR A 63 9.275 -22.407 6.806 1.00 24.45 N ATOM 902 CA THR A 63 8.875 -22.921 5.503 1.00 53.44 C ATOM 903 C THR A 63 8.368 -21.800 4.603 1.00 55.43 C ATOM 904 O THR A 63 7.920 -20.758 5.083 1.00 21.24 O ATOM 905 CB THR A 63 7.778 -23.994 5.634 1.00 12.12 C ATOM 906 OG1 THR A 63 7.310 -24.378 4.336 1.00 23.35 O ATOM 907 CG2 THR A 63 6.613 -23.478 6.466 1.00 22.32 C ATOM 0 H THR A 63 8.619 -21.743 7.217 1.00 24.45 H new ATOM 0 HA THR A 63 9.761 -23.371 5.055 1.00 53.44 H new ATOM 0 HB THR A 63 8.207 -24.861 6.136 1.00 12.12 H new ATOM 0 HG1 THR A 63 8.019 -24.861 3.862 1.00 23.35 H new ATOM 0 HG21 THR A 63 5.851 -24.253 6.545 1.00 22.32 H new ATOM 0 HG22 THR A 63 6.966 -23.214 7.463 1.00 22.32 H new ATOM 0 HG23 THR A 63 6.186 -22.597 5.987 1.00 22.32 H new ATOM 915 N VAL A 64 8.439 -22.019 3.294 1.00 65.33 N ATOM 916 CA VAL A 64 7.986 -21.028 2.326 1.00 54.30 C ATOM 917 C VAL A 64 7.440 -21.696 1.069 1.00 32.01 C ATOM 918 O VAL A 64 7.757 -22.850 0.778 1.00 55.01 O ATOM 919 CB VAL A 64 9.123 -20.067 1.931 1.00 62.42 C ATOM 920 CG1 VAL A 64 10.116 -20.765 1.014 1.00 44.43 C ATOM 921 CG2 VAL A 64 8.560 -18.819 1.269 1.00 0.44 C ATOM 0 H VAL A 64 8.807 -22.875 2.879 1.00 65.33 H new ATOM 0 HA VAL A 64 7.190 -20.459 2.806 1.00 54.30 H new ATOM 0 HB VAL A 64 9.650 -19.764 2.835 1.00 62.42 H new ATOM 0 HG11 VAL A 64 10.913 -20.071 0.745 1.00 44.43 H new ATOM 0 HG12 VAL A 64 10.543 -21.626 1.528 1.00 44.43 H new ATOM 0 HG13 VAL A 64 9.605 -21.099 0.111 1.00 44.43 H new ATOM 0 HG21 VAL A 64 9.377 -18.151 0.997 1.00 0.44 H new ATOM 0 HG22 VAL A 64 8.007 -19.100 0.373 1.00 0.44 H new ATOM 0 HG23 VAL A 64 7.891 -18.309 1.963 1.00 0.44 H new ATOM 931 N THR A 65 6.617 -20.963 0.325 1.00 31.14 N ATOM 932 CA THR A 65 6.026 -21.484 -0.901 1.00 31.34 C ATOM 933 C THR A 65 6.998 -21.375 -2.070 1.00 2.25 C ATOM 934 O THR A 65 7.527 -22.379 -2.544 1.00 63.21 O ATOM 935 CB THR A 65 4.725 -20.740 -1.258 1.00 24.21 C ATOM 936 OG1 THR A 65 4.511 -19.661 -0.342 1.00 1.24 O ATOM 937 CG2 THR A 65 3.534 -21.686 -1.223 1.00 41.54 C ATOM 0 H THR A 65 6.345 -20.006 0.551 1.00 31.14 H new ATOM 0 HA THR A 65 5.797 -22.534 -0.720 1.00 31.34 H new ATOM 0 HB THR A 65 4.824 -20.344 -2.269 1.00 24.21 H new ATOM 0 HG1 THR A 65 3.567 -19.399 -0.360 1.00 1.24 H new ATOM 0 HG21 THR A 65 2.627 -21.138 -1.478 1.00 41.54 H new ATOM 0 HG22 THR A 65 3.687 -22.490 -1.943 1.00 41.54 H new ATOM 0 HG23 THR A 65 3.434 -22.108 -0.223 1.00 41.54 H new ATOM 945 N GLU A 66 7.229 -20.149 -2.528 1.00 41.34 N ATOM 946 CA GLU A 66 8.139 -19.910 -3.643 1.00 14.42 C ATOM 947 C GLU A 66 8.318 -18.414 -3.887 1.00 61.03 C ATOM 948 O GLU A 66 7.863 -17.585 -3.098 1.00 30.21 O ATOM 949 CB GLU A 66 7.615 -20.586 -4.912 1.00 10.34 C ATOM 950 CG GLU A 66 6.287 -20.028 -5.395 1.00 33.14 C ATOM 951 CD GLU A 66 6.169 -20.029 -6.906 1.00 74.13 C ATOM 952 OE1 GLU A 66 5.738 -21.059 -7.466 1.00 64.34 O ATOM 953 OE2 GLU A 66 6.506 -19.001 -7.529 1.00 42.11 O ATOM 0 H GLU A 66 6.800 -19.307 -2.145 1.00 41.34 H new ATOM 0 HA GLU A 66 9.108 -20.338 -3.386 1.00 14.42 H new ATOM 0 HB2 GLU A 66 8.355 -20.476 -5.704 1.00 10.34 H new ATOM 0 HB3 GLU A 66 7.504 -21.654 -4.725 1.00 10.34 H new ATOM 0 HG2 GLU A 66 5.474 -20.617 -4.970 1.00 33.14 H new ATOM 0 HG3 GLU A 66 6.169 -19.009 -5.026 1.00 33.14 H new ATOM 960 N LEU A 67 8.985 -18.076 -4.986 1.00 33.14 N ATOM 961 CA LEU A 67 9.226 -16.680 -5.335 1.00 73.53 C ATOM 962 C LEU A 67 7.917 -15.899 -5.392 1.00 32.41 C ATOM 963 O LEU A 67 7.867 -14.725 -5.027 1.00 31.31 O ATOM 964 CB LEU A 67 9.946 -16.589 -6.682 1.00 3.35 C ATOM 965 CG LEU A 67 9.190 -17.147 -7.887 1.00 73.42 C ATOM 966 CD1 LEU A 67 8.295 -16.080 -8.497 1.00 55.01 C ATOM 967 CD2 LEU A 67 10.164 -17.686 -8.925 1.00 74.10 C ATOM 0 H LEU A 67 9.368 -18.749 -5.650 1.00 33.14 H new ATOM 0 HA LEU A 67 9.856 -16.241 -4.562 1.00 73.53 H new ATOM 0 HB2 LEU A 67 10.178 -15.542 -6.877 1.00 3.35 H new ATOM 0 HB3 LEU A 67 10.897 -17.116 -6.599 1.00 3.35 H new ATOM 0 HG LEU A 67 8.560 -17.969 -7.547 1.00 73.42 H new ATOM 0 HD11 LEU A 67 7.765 -16.496 -9.354 1.00 55.01 H new ATOM 0 HD12 LEU A 67 7.574 -15.741 -7.753 1.00 55.01 H new ATOM 0 HD13 LEU A 67 8.904 -15.236 -8.822 1.00 55.01 H new ATOM 0 HD21 LEU A 67 9.608 -18.079 -9.776 1.00 74.10 H new ATOM 0 HD22 LEU A 67 10.820 -16.883 -9.260 1.00 74.10 H new ATOM 0 HD23 LEU A 67 10.763 -18.483 -8.483 1.00 74.10 H new ATOM 979 N ALA A 68 6.859 -16.560 -5.850 1.00 33.31 N ATOM 980 CA ALA A 68 5.548 -15.929 -5.950 1.00 65.41 C ATOM 981 C ALA A 68 5.089 -15.401 -4.595 1.00 75.35 C ATOM 982 O ALA A 68 4.538 -14.305 -4.501 1.00 2.34 O ATOM 983 CB ALA A 68 4.531 -16.913 -6.509 1.00 14.33 C ATOM 0 H ALA A 68 6.884 -17.532 -6.158 1.00 33.31 H new ATOM 0 HA ALA A 68 5.629 -15.082 -6.631 1.00 65.41 H new ATOM 0 HB1 ALA A 68 3.557 -16.429 -6.578 1.00 14.33 H new ATOM 0 HB2 ALA A 68 4.846 -17.238 -7.500 1.00 14.33 H new ATOM 0 HB3 ALA A 68 4.461 -17.778 -5.849 1.00 14.33 H new ATOM 989 N ALA A 69 5.317 -16.189 -3.550 1.00 22.02 N ATOM 990 CA ALA A 69 4.927 -15.800 -2.200 1.00 43.34 C ATOM 991 C ALA A 69 5.742 -14.605 -1.717 1.00 12.42 C ATOM 992 O ALA A 69 5.237 -13.751 -0.987 1.00 22.23 O ATOM 993 CB ALA A 69 5.089 -16.973 -1.245 1.00 4.30 C ATOM 0 H ALA A 69 5.770 -17.101 -3.612 1.00 22.02 H new ATOM 0 HA ALA A 69 3.878 -15.506 -2.221 1.00 43.34 H new ATOM 0 HB1 ALA A 69 4.794 -16.668 -0.241 1.00 4.30 H new ATOM 0 HB2 ALA A 69 4.458 -17.799 -1.573 1.00 4.30 H new ATOM 0 HB3 ALA A 69 6.131 -17.293 -1.236 1.00 4.30 H new ATOM 999 N PHE A 70 7.004 -14.550 -2.128 1.00 4.23 N ATOM 1000 CA PHE A 70 7.890 -13.460 -1.735 1.00 14.43 C ATOM 1001 C PHE A 70 7.473 -12.153 -2.403 1.00 14.31 C ATOM 1002 O PHE A 70 7.657 -11.072 -1.845 1.00 41.12 O ATOM 1003 CB PHE A 70 9.337 -13.793 -2.100 1.00 65.12 C ATOM 1004 CG PHE A 70 10.323 -12.752 -1.654 1.00 44.41 C ATOM 1005 CD1 PHE A 70 10.509 -12.486 -0.307 1.00 13.11 C ATOM 1006 CD2 PHE A 70 11.065 -12.038 -2.582 1.00 14.20 C ATOM 1007 CE1 PHE A 70 11.416 -11.528 0.107 1.00 35.41 C ATOM 1008 CE2 PHE A 70 11.973 -11.079 -2.174 1.00 21.50 C ATOM 1009 CZ PHE A 70 12.148 -10.824 -0.828 1.00 11.41 C ATOM 0 H PHE A 70 7.437 -15.248 -2.733 1.00 4.23 H new ATOM 0 HA PHE A 70 7.815 -13.336 -0.655 1.00 14.43 H new ATOM 0 HB2 PHE A 70 9.605 -14.750 -1.653 1.00 65.12 H new ATOM 0 HB3 PHE A 70 9.412 -13.914 -3.181 1.00 65.12 H new ATOM 0 HD1 PHE A 70 9.939 -13.034 0.429 1.00 13.11 H new ATOM 0 HD2 PHE A 70 10.932 -12.233 -3.636 1.00 14.20 H new ATOM 0 HE1 PHE A 70 11.552 -11.331 1.160 1.00 35.41 H new ATOM 0 HE2 PHE A 70 12.545 -10.530 -2.907 1.00 21.50 H new ATOM 0 HZ PHE A 70 12.857 -10.075 -0.507 1.00 11.41 H new ATOM 1019 N ASN A 71 6.910 -12.261 -3.602 1.00 71.40 N ATOM 1020 CA ASN A 71 6.467 -11.089 -4.348 1.00 4.22 C ATOM 1021 C ASN A 71 5.273 -10.429 -3.666 1.00 10.05 C ATOM 1022 O ASN A 71 5.127 -9.206 -3.689 1.00 71.33 O ATOM 1023 CB ASN A 71 6.099 -11.479 -5.781 1.00 1.13 C ATOM 1024 CG ASN A 71 5.889 -10.271 -6.673 1.00 14.11 C ATOM 1025 OD1 ASN A 71 5.180 -9.332 -6.308 1.00 64.15 O ATOM 1026 ND2 ASN A 71 6.504 -10.290 -7.849 1.00 44.13 N ATOM 0 H ASN A 71 6.750 -13.149 -4.078 1.00 71.40 H new ATOM 0 HA ASN A 71 7.289 -10.374 -4.373 1.00 4.22 H new ATOM 0 HB2 ASN A 71 6.889 -12.103 -6.199 1.00 1.13 H new ATOM 0 HB3 ASN A 71 5.190 -12.081 -5.769 1.00 1.13 H new ATOM 0 HD21 ASN A 71 6.399 -9.505 -8.492 1.00 44.13 H new ATOM 0 HD22 ASN A 71 7.082 -11.089 -8.110 1.00 44.13 H new ATOM 1033 N THR A 72 4.420 -11.247 -3.057 1.00 11.14 N ATOM 1034 CA THR A 72 3.238 -10.744 -2.368 1.00 0.10 C ATOM 1035 C THR A 72 3.618 -10.014 -1.085 1.00 22.54 C ATOM 1036 O THR A 72 3.127 -8.919 -0.813 1.00 4.34 O ATOM 1037 CB THR A 72 2.259 -11.883 -2.027 1.00 22.32 C ATOM 1038 OG1 THR A 72 2.597 -13.059 -2.771 1.00 3.00 O ATOM 1039 CG2 THR A 72 0.826 -11.476 -2.335 1.00 63.33 C ATOM 0 H THR A 72 4.526 -12.261 -3.027 1.00 11.14 H new ATOM 0 HA THR A 72 2.749 -10.046 -3.048 1.00 0.10 H new ATOM 0 HB THR A 72 2.339 -12.093 -0.960 1.00 22.32 H new ATOM 0 HG1 THR A 72 1.971 -13.779 -2.547 1.00 3.00 H new ATOM 0 HG21 THR A 72 0.153 -12.297 -2.086 1.00 63.33 H new ATOM 0 HG22 THR A 72 0.562 -10.598 -1.745 1.00 63.33 H new ATOM 0 HG23 THR A 72 0.734 -11.241 -3.395 1.00 63.33 H new ATOM 1047 N VAL A 73 4.496 -10.629 -0.298 1.00 44.31 N ATOM 1048 CA VAL A 73 4.944 -10.036 0.957 1.00 61.43 C ATOM 1049 C VAL A 73 5.769 -8.779 0.707 1.00 25.13 C ATOM 1050 O VAL A 73 5.637 -7.785 1.421 1.00 51.43 O ATOM 1051 CB VAL A 73 5.782 -11.033 1.780 1.00 43.51 C ATOM 1052 CG1 VAL A 73 4.923 -12.199 2.244 1.00 54.53 C ATOM 1053 CG2 VAL A 73 6.971 -11.525 0.969 1.00 22.41 C ATOM 0 H VAL A 73 4.911 -11.537 -0.507 1.00 44.31 H new ATOM 0 HA VAL A 73 4.049 -9.773 1.521 1.00 61.43 H new ATOM 0 HB VAL A 73 6.161 -10.519 2.664 1.00 43.51 H new ATOM 0 HG11 VAL A 73 5.533 -12.892 2.824 1.00 54.53 H new ATOM 0 HG12 VAL A 73 4.108 -11.826 2.865 1.00 54.53 H new ATOM 0 HG13 VAL A 73 4.512 -12.715 1.377 1.00 54.53 H new ATOM 0 HG21 VAL A 73 7.552 -12.228 1.565 1.00 22.41 H new ATOM 0 HG22 VAL A 73 6.615 -12.022 0.066 1.00 22.41 H new ATOM 0 HG23 VAL A 73 7.599 -10.678 0.693 1.00 22.41 H new ATOM 1063 N VAL A 74 6.622 -8.830 -0.311 1.00 63.01 N ATOM 1064 CA VAL A 74 7.469 -7.694 -0.657 1.00 20.53 C ATOM 1065 C VAL A 74 6.634 -6.511 -1.132 1.00 10.34 C ATOM 1066 O VAL A 74 6.943 -5.359 -0.828 1.00 52.23 O ATOM 1067 CB VAL A 74 8.485 -8.065 -1.754 1.00 32.14 C ATOM 1068 CG1 VAL A 74 9.129 -6.813 -2.330 1.00 23.54 C ATOM 1069 CG2 VAL A 74 9.540 -9.013 -1.204 1.00 33.31 C ATOM 0 H VAL A 74 6.745 -9.646 -0.911 1.00 63.01 H new ATOM 0 HA VAL A 74 8.009 -7.414 0.248 1.00 20.53 H new ATOM 0 HB VAL A 74 7.955 -8.575 -2.559 1.00 32.14 H new ATOM 0 HG11 VAL A 74 9.844 -7.094 -3.103 1.00 23.54 H new ATOM 0 HG12 VAL A 74 8.359 -6.174 -2.763 1.00 23.54 H new ATOM 0 HG13 VAL A 74 9.646 -6.272 -1.537 1.00 23.54 H new ATOM 0 HG21 VAL A 74 10.249 -9.265 -1.992 1.00 33.31 H new ATOM 0 HG22 VAL A 74 10.068 -8.532 -0.381 1.00 33.31 H new ATOM 0 HG23 VAL A 74 9.060 -9.923 -0.844 1.00 33.31 H new ATOM 1079 N ALA A 75 5.574 -6.803 -1.878 1.00 31.00 N ATOM 1080 CA ALA A 75 4.692 -5.763 -2.393 1.00 41.01 C ATOM 1081 C ALA A 75 4.118 -4.919 -1.260 1.00 60.20 C ATOM 1082 O ALA A 75 4.085 -3.691 -1.343 1.00 71.32 O ATOM 1083 CB ALA A 75 3.570 -6.381 -3.214 1.00 61.21 C ATOM 0 H ALA A 75 5.305 -7.752 -2.139 1.00 31.00 H new ATOM 0 HA ALA A 75 5.280 -5.109 -3.036 1.00 41.01 H new ATOM 0 HB1 ALA A 75 2.919 -5.593 -3.592 1.00 61.21 H new ATOM 0 HB2 ALA A 75 3.994 -6.934 -4.052 1.00 61.21 H new ATOM 0 HB3 ALA A 75 2.991 -7.059 -2.587 1.00 61.21 H new ATOM 1089 N ARG A 76 3.666 -5.585 -0.203 1.00 22.54 N ATOM 1090 CA ARG A 76 3.092 -4.896 0.946 1.00 35.24 C ATOM 1091 C ARG A 76 4.187 -4.346 1.854 1.00 5.41 C ATOM 1092 O ARG A 76 3.969 -3.389 2.599 1.00 64.24 O ATOM 1093 CB ARG A 76 2.188 -5.844 1.737 1.00 31.11 C ATOM 1094 CG ARG A 76 1.266 -6.678 0.862 1.00 13.45 C ATOM 1095 CD ARG A 76 0.543 -5.818 -0.163 1.00 12.24 C ATOM 1096 NE ARG A 76 -0.680 -6.453 -0.645 1.00 73.41 N ATOM 1097 CZ ARG A 76 -0.691 -7.499 -1.464 1.00 72.22 C ATOM 1098 NH1 ARG A 76 0.450 -8.024 -1.889 1.00 75.43 N ATOM 1099 NH2 ARG A 76 -1.845 -8.022 -1.859 1.00 70.12 N ATOM 0 H ARG A 76 3.686 -6.601 -0.118 1.00 22.54 H new ATOM 0 HA ARG A 76 2.497 -4.061 0.576 1.00 35.24 H new ATOM 0 HB2 ARG A 76 2.809 -6.511 2.334 1.00 31.11 H new ATOM 0 HB3 ARG A 76 1.585 -5.261 2.433 1.00 31.11 H new ATOM 0 HG2 ARG A 76 1.845 -7.447 0.350 1.00 13.45 H new ATOM 0 HG3 ARG A 76 0.536 -7.192 1.487 1.00 13.45 H new ATOM 0 HD2 ARG A 76 0.300 -4.853 0.281 1.00 12.24 H new ATOM 0 HD3 ARG A 76 1.207 -5.623 -1.005 1.00 12.24 H new ATOM 0 HE ARG A 76 -1.575 -6.073 -0.336 1.00 73.41 H new ATOM 0 HH11 ARG A 76 1.339 -7.625 -1.587 1.00 75.43 H new ATOM 0 HH12 ARG A 76 0.439 -8.827 -2.518 1.00 75.43 H new ATOM 0 HH21 ARG A 76 -2.725 -7.621 -1.534 1.00 70.12 H new ATOM 0 HH22 ARG A 76 -1.852 -8.825 -2.488 1.00 70.12 H new ATOM 1113 N HIS A 77 5.366 -4.956 1.787 1.00 24.24 N ATOM 1114 CA HIS A 77 6.497 -4.527 2.603 1.00 32.12 C ATOM 1115 C HIS A 77 7.149 -3.280 2.015 1.00 51.52 C ATOM 1116 O HIS A 77 7.760 -2.489 2.733 1.00 5.41 O ATOM 1117 CB HIS A 77 7.528 -5.651 2.715 1.00 15.24 C ATOM 1118 CG HIS A 77 8.823 -5.216 3.329 1.00 32.42 C ATOM 1119 ND1 HIS A 77 8.975 -4.984 4.680 1.00 60.11 N ATOM 1120 CD2 HIS A 77 10.031 -4.974 2.769 1.00 53.22 C ATOM 1121 CE1 HIS A 77 10.220 -4.616 4.923 1.00 0.44 C ATOM 1122 NE2 HIS A 77 10.882 -4.602 3.780 1.00 13.13 N ATOM 0 H HIS A 77 5.563 -5.749 1.176 1.00 24.24 H new ATOM 0 HA HIS A 77 6.124 -4.286 3.598 1.00 32.12 H new ATOM 0 HB2 HIS A 77 7.107 -6.461 3.310 1.00 15.24 H new ATOM 0 HB3 HIS A 77 7.724 -6.054 1.721 1.00 15.24 H new ATOM 0 HD1 HIS A 77 8.241 -5.081 5.382 1.00 60.11 H new ATOM 0 HD2 HIS A 77 10.279 -5.058 1.721 1.00 53.22 H new ATOM 0 HE1 HIS A 77 10.628 -4.368 5.892 1.00 0.44 H new ATOM 1130 N VAL A 78 7.015 -3.110 0.703 1.00 32.11 N ATOM 1131 CA VAL A 78 7.590 -1.959 0.018 1.00 5.02 C ATOM 1132 C VAL A 78 7.188 -0.656 0.700 1.00 62.11 C ATOM 1133 O VAL A 78 6.087 -0.148 0.490 1.00 74.12 O ATOM 1134 CB VAL A 78 7.155 -1.909 -1.458 1.00 52.23 C ATOM 1135 CG1 VAL A 78 7.483 -0.554 -2.066 1.00 52.42 C ATOM 1136 CG2 VAL A 78 7.815 -3.030 -2.247 1.00 1.24 C ATOM 0 H VAL A 78 6.513 -3.756 0.093 1.00 32.11 H new ATOM 0 HA VAL A 78 8.673 -2.071 0.066 1.00 5.02 H new ATOM 0 HB VAL A 78 6.075 -2.050 -1.505 1.00 52.23 H new ATOM 0 HG11 VAL A 78 7.168 -0.538 -3.109 1.00 52.42 H new ATOM 0 HG12 VAL A 78 6.959 0.228 -1.517 1.00 52.42 H new ATOM 0 HG13 VAL A 78 8.557 -0.380 -2.008 1.00 52.42 H new ATOM 0 HG21 VAL A 78 7.496 -2.979 -3.288 1.00 1.24 H new ATOM 0 HG22 VAL A 78 8.898 -2.923 -2.194 1.00 1.24 H new ATOM 0 HG23 VAL A 78 7.524 -3.992 -1.825 1.00 1.24 H new ATOM 1146 N ARG A 79 8.089 -0.120 1.517 1.00 14.31 N ATOM 1147 CA ARG A 79 7.827 1.124 2.231 1.00 43.41 C ATOM 1148 C ARG A 79 9.132 1.829 2.591 1.00 21.33 C ATOM 1149 O ARG A 79 10.200 1.219 2.649 1.00 61.23 O ATOM 1150 CB ARG A 79 7.017 0.849 3.499 1.00 53.33 C ATOM 1151 CG ARG A 79 5.574 1.321 3.414 1.00 63.13 C ATOM 1152 CD ARG A 79 4.609 0.253 3.905 1.00 43.31 C ATOM 1153 NE ARG A 79 3.379 0.831 4.438 1.00 54.30 N ATOM 1154 CZ ARG A 79 3.303 1.439 5.617 1.00 53.44 C ATOM 1155 NH1 ARG A 79 4.381 1.549 6.381 1.00 73.44 N ATOM 1156 NH2 ARG A 79 2.147 1.940 6.033 1.00 55.22 N ATOM 0 H ARG A 79 9.006 -0.527 1.701 1.00 14.31 H new ATOM 0 HA ARG A 79 7.250 1.776 1.575 1.00 43.41 H new ATOM 0 HB2 ARG A 79 7.029 -0.222 3.703 1.00 53.33 H new ATOM 0 HB3 ARG A 79 7.502 1.339 4.343 1.00 53.33 H new ATOM 0 HG2 ARG A 79 5.450 2.226 4.009 1.00 63.13 H new ATOM 0 HG3 ARG A 79 5.336 1.582 2.383 1.00 63.13 H new ATOM 0 HD2 ARG A 79 4.366 -0.422 3.084 1.00 43.31 H new ATOM 0 HD3 ARG A 79 5.093 -0.345 4.677 1.00 43.31 H new ATOM 0 HE ARG A 79 2.531 0.764 3.874 1.00 54.30 H new ATOM 0 HH11 ARG A 79 5.272 1.166 6.064 1.00 73.44 H new ATOM 0 HH12 ARG A 79 4.319 2.016 7.286 1.00 73.44 H new ATOM 0 HH21 ARG A 79 1.316 1.859 5.448 1.00 55.22 H new ATOM 0 HH22 ARG A 79 2.090 2.407 6.938 1.00 55.22 H new ATOM 1170 N PRO A 80 9.046 3.144 2.840 1.00 51.04 N ATOM 1171 CA PRO A 80 10.210 3.960 3.199 1.00 73.24 C ATOM 1172 C PRO A 80 10.740 3.632 4.590 1.00 2.32 C ATOM 1173 O PRO A 80 10.131 3.991 5.598 1.00 54.34 O ATOM 1174 CB PRO A 80 9.667 5.390 3.156 1.00 12.43 C ATOM 1175 CG PRO A 80 8.205 5.248 3.406 1.00 51.34 C ATOM 1176 CD PRO A 80 7.805 3.936 2.790 1.00 64.04 C ATOM 0 HA PRO A 80 11.051 3.789 2.527 1.00 73.24 H new ATOM 0 HB2 PRO A 80 10.139 6.016 3.913 1.00 12.43 H new ATOM 0 HB3 PRO A 80 9.860 5.858 2.191 1.00 12.43 H new ATOM 0 HG2 PRO A 80 7.989 5.260 4.474 1.00 51.34 H new ATOM 0 HG3 PRO A 80 7.651 6.074 2.960 1.00 51.34 H new ATOM 0 HD2 PRO A 80 7.000 3.458 3.349 1.00 64.04 H new ATOM 0 HD3 PRO A 80 7.450 4.064 1.767 1.00 64.04 H new ATOM 1184 N SER A 81 11.879 2.949 4.639 1.00 43.13 N ATOM 1185 CA SER A 81 12.490 2.570 5.907 1.00 1.45 C ATOM 1186 C SER A 81 11.549 1.687 6.721 1.00 1.22 C ATOM 1187 O SER A 81 11.448 1.826 7.940 1.00 45.22 O ATOM 1188 CB SER A 81 12.860 3.818 6.712 1.00 22.10 C ATOM 1189 OG SER A 81 13.839 3.520 7.693 1.00 52.42 O ATOM 0 H SER A 81 12.398 2.647 3.814 1.00 43.13 H new ATOM 0 HA SER A 81 13.396 2.004 5.691 1.00 1.45 H new ATOM 0 HB2 SER A 81 13.237 4.589 6.040 1.00 22.10 H new ATOM 0 HB3 SER A 81 11.969 4.222 7.193 1.00 22.10 H new ATOM 0 HG SER A 81 13.529 2.775 8.249 1.00 52.42 H new ATOM 1195 N ALA A 82 10.862 0.778 6.037 1.00 15.54 N ATOM 1196 CA ALA A 82 9.930 -0.129 6.695 1.00 20.25 C ATOM 1197 C ALA A 82 10.648 -1.369 7.218 1.00 70.14 C ATOM 1198 O ALA A 82 11.128 -2.194 6.440 1.00 53.11 O ATOM 1199 CB ALA A 82 8.815 -0.526 5.739 1.00 1.02 C ATOM 0 H ALA A 82 10.933 0.650 5.028 1.00 15.54 H new ATOM 0 HA ALA A 82 9.494 0.393 7.547 1.00 20.25 H new ATOM 0 HB1 ALA A 82 8.127 -1.204 6.244 1.00 1.02 H new ATOM 0 HB2 ALA A 82 8.276 0.366 5.418 1.00 1.02 H new ATOM 0 HB3 ALA A 82 9.242 -1.025 4.869 1.00 1.02 H new ATOM 1205 N SER A 83 10.719 -1.494 8.539 1.00 13.20 N ATOM 1206 CA SER A 83 11.383 -2.631 9.165 1.00 75.30 C ATOM 1207 C SER A 83 10.362 -3.585 9.779 1.00 24.03 C ATOM 1208 O SER A 83 9.446 -3.161 10.484 1.00 10.10 O ATOM 1209 CB SER A 83 12.360 -2.151 10.239 1.00 12.45 C ATOM 1210 OG SER A 83 12.856 -0.858 9.936 1.00 31.32 O ATOM 0 H SER A 83 10.325 -0.822 9.197 1.00 13.20 H new ATOM 0 HA SER A 83 11.937 -3.166 8.394 1.00 75.30 H new ATOM 0 HB2 SER A 83 11.861 -2.135 11.208 1.00 12.45 H new ATOM 0 HB3 SER A 83 13.190 -2.853 10.320 1.00 12.45 H new ATOM 0 HG SER A 83 13.477 -0.573 10.638 1.00 31.32 H new ATOM 1216 N ILE A 84 10.529 -4.875 9.507 1.00 53.23 N ATOM 1217 CA ILE A 84 9.624 -5.889 10.033 1.00 73.11 C ATOM 1218 C ILE A 84 10.378 -7.163 10.397 1.00 22.22 C ATOM 1219 O ILE A 84 11.458 -7.445 9.878 1.00 45.41 O ATOM 1220 CB ILE A 84 8.515 -6.234 9.021 1.00 41.00 C ATOM 1221 CG1 ILE A 84 9.107 -6.399 7.620 1.00 71.43 C ATOM 1222 CG2 ILE A 84 7.441 -5.157 9.024 1.00 0.54 C ATOM 1223 CD1 ILE A 84 8.321 -7.347 6.740 1.00 4.31 C ATOM 0 H ILE A 84 11.282 -5.242 8.926 1.00 53.23 H new ATOM 0 HA ILE A 84 9.168 -5.470 10.930 1.00 73.11 H new ATOM 0 HB ILE A 84 8.056 -7.178 9.315 1.00 41.00 H new ATOM 0 HG12 ILE A 84 9.155 -5.423 7.137 1.00 71.43 H new ATOM 0 HG13 ILE A 84 10.131 -6.762 7.707 1.00 71.43 H new ATOM 0 HG21 ILE A 84 6.665 -5.415 8.304 1.00 0.54 H new ATOM 0 HG22 ILE A 84 7.003 -5.083 10.019 1.00 0.54 H new ATOM 0 HG23 ILE A 84 7.885 -4.200 8.751 1.00 0.54 H new ATOM 0 HD11 ILE A 84 8.798 -7.416 5.762 1.00 4.31 H new ATOM 0 HD12 ILE A 84 8.295 -8.334 7.201 1.00 4.31 H new ATOM 0 HD13 ILE A 84 7.303 -6.975 6.622 1.00 4.31 H new ATOM 1235 N PRO A 85 9.797 -7.955 11.311 1.00 55.44 N ATOM 1236 CA PRO A 85 10.395 -9.214 11.763 1.00 3.23 C ATOM 1237 C PRO A 85 10.378 -10.286 10.680 1.00 62.43 C ATOM 1238 O PRO A 85 9.319 -10.650 10.168 1.00 11.14 O ATOM 1239 CB PRO A 85 9.506 -9.627 12.939 1.00 41.12 C ATOM 1240 CG PRO A 85 8.194 -8.976 12.668 1.00 74.31 C ATOM 1241 CD PRO A 85 8.509 -7.682 11.971 1.00 2.53 C ATOM 0 HA PRO A 85 11.446 -9.094 12.027 1.00 3.23 H new ATOM 0 HB2 PRO A 85 9.406 -10.711 12.998 1.00 41.12 H new ATOM 0 HB3 PRO A 85 9.925 -9.294 13.888 1.00 41.12 H new ATOM 0 HG2 PRO A 85 7.565 -9.611 12.045 1.00 74.31 H new ATOM 0 HG3 PRO A 85 7.648 -8.797 13.595 1.00 74.31 H new ATOM 0 HD2 PRO A 85 7.736 -7.416 11.250 1.00 2.53 H new ATOM 0 HD3 PRO A 85 8.586 -6.854 12.676 1.00 2.53 H new ATOM 1249 N VAL A 86 11.559 -10.791 10.334 1.00 54.53 N ATOM 1250 CA VAL A 86 11.679 -11.823 9.312 1.00 72.35 C ATOM 1251 C VAL A 86 12.384 -13.059 9.859 1.00 3.11 C ATOM 1252 O VAL A 86 13.299 -12.954 10.676 1.00 44.22 O ATOM 1253 CB VAL A 86 12.450 -11.308 8.081 1.00 34.34 C ATOM 1254 CG1 VAL A 86 12.603 -12.413 7.047 1.00 41.44 C ATOM 1255 CG2 VAL A 86 11.749 -10.098 7.482 1.00 33.52 C ATOM 0 H VAL A 86 12.446 -10.501 10.747 1.00 54.53 H new ATOM 0 HA VAL A 86 10.666 -12.089 9.011 1.00 72.35 H new ATOM 0 HB VAL A 86 13.446 -11.001 8.399 1.00 34.34 H new ATOM 0 HG11 VAL A 86 13.150 -12.031 6.185 1.00 41.44 H new ATOM 0 HG12 VAL A 86 13.152 -13.247 7.484 1.00 41.44 H new ATOM 0 HG13 VAL A 86 11.617 -12.754 6.730 1.00 41.44 H new ATOM 0 HG21 VAL A 86 12.307 -9.747 6.614 1.00 33.52 H new ATOM 0 HG22 VAL A 86 10.740 -10.376 7.177 1.00 33.52 H new ATOM 0 HG23 VAL A 86 11.697 -9.303 8.225 1.00 33.52 H new ATOM 1265 N VAL A 87 11.953 -14.231 9.403 1.00 12.33 N ATOM 1266 CA VAL A 87 12.544 -15.488 9.846 1.00 40.21 C ATOM 1267 C VAL A 87 13.432 -16.089 8.762 1.00 35.41 C ATOM 1268 O VAL A 87 13.005 -16.262 7.620 1.00 32.22 O ATOM 1269 CB VAL A 87 11.461 -16.512 10.234 1.00 53.41 C ATOM 1270 CG1 VAL A 87 12.095 -17.836 10.631 1.00 51.12 C ATOM 1271 CG2 VAL A 87 10.593 -15.968 11.359 1.00 21.11 C ATOM 0 H VAL A 87 11.197 -14.336 8.727 1.00 12.33 H new ATOM 0 HA VAL A 87 13.149 -15.262 10.724 1.00 40.21 H new ATOM 0 HB VAL A 87 10.824 -16.688 9.367 1.00 53.41 H new ATOM 0 HG11 VAL A 87 11.314 -18.547 10.902 1.00 51.12 H new ATOM 0 HG12 VAL A 87 12.670 -18.230 9.793 1.00 51.12 H new ATOM 0 HG13 VAL A 87 12.756 -17.682 11.483 1.00 51.12 H new ATOM 0 HG21 VAL A 87 9.833 -16.704 11.621 1.00 21.11 H new ATOM 0 HG22 VAL A 87 11.214 -15.762 12.231 1.00 21.11 H new ATOM 0 HG23 VAL A 87 10.109 -15.047 11.033 1.00 21.11 H new ATOM 1281 N PHE A 88 14.669 -16.407 9.127 1.00 30.55 N ATOM 1282 CA PHE A 88 15.618 -16.990 8.186 1.00 22.01 C ATOM 1283 C PHE A 88 16.243 -18.259 8.759 1.00 74.25 C ATOM 1284 O PHE A 88 16.311 -18.436 9.975 1.00 74.32 O ATOM 1285 CB PHE A 88 16.714 -15.979 7.843 1.00 41.02 C ATOM 1286 CG PHE A 88 17.654 -15.704 8.981 1.00 24.53 C ATOM 1287 CD1 PHE A 88 18.962 -16.162 8.944 1.00 75.54 C ATOM 1288 CD2 PHE A 88 17.231 -14.989 10.090 1.00 50.23 C ATOM 1289 CE1 PHE A 88 19.830 -15.911 9.990 1.00 74.35 C ATOM 1290 CE2 PHE A 88 18.095 -14.734 11.138 1.00 35.23 C ATOM 1291 CZ PHE A 88 19.395 -15.197 11.089 1.00 60.02 C ATOM 0 H PHE A 88 15.038 -16.271 10.068 1.00 30.55 H new ATOM 0 HA PHE A 88 15.076 -17.251 7.277 1.00 22.01 H new ATOM 0 HB2 PHE A 88 17.285 -16.350 6.992 1.00 41.02 H new ATOM 0 HB3 PHE A 88 16.249 -15.043 7.532 1.00 41.02 H new ATOM 0 HD1 PHE A 88 19.307 -16.722 8.087 1.00 75.54 H new ATOM 0 HD2 PHE A 88 16.215 -14.627 10.136 1.00 50.23 H new ATOM 0 HE1 PHE A 88 20.847 -16.273 9.948 1.00 74.35 H new ATOM 0 HE2 PHE A 88 17.754 -14.173 11.995 1.00 35.23 H new ATOM 0 HZ PHE A 88 20.070 -15.001 11.909 1.00 60.02 H new ATOM 1301 N SER A 89 16.697 -19.140 7.872 1.00 13.34 N ATOM 1302 CA SER A 89 17.312 -20.395 8.288 1.00 14.12 C ATOM 1303 C SER A 89 18.607 -20.645 7.522 1.00 71.20 C ATOM 1304 O SER A 89 18.738 -20.260 6.360 1.00 10.01 O ATOM 1305 CB SER A 89 16.343 -21.559 8.069 1.00 2.23 C ATOM 1306 OG SER A 89 15.613 -21.843 9.250 1.00 74.33 O ATOM 0 H SER A 89 16.650 -19.007 6.862 1.00 13.34 H new ATOM 0 HA SER A 89 17.547 -20.322 9.350 1.00 14.12 H new ATOM 0 HB2 SER A 89 15.653 -21.315 7.261 1.00 2.23 H new ATOM 0 HB3 SER A 89 16.897 -22.445 7.758 1.00 2.23 H new ATOM 0 HG SER A 89 16.203 -21.756 10.028 1.00 74.33 H new ATOM 1312 N ARG A 90 19.561 -21.293 8.182 1.00 65.13 N ATOM 1313 CA ARG A 90 20.847 -21.594 7.564 1.00 24.44 C ATOM 1314 C ARG A 90 21.141 -23.091 7.622 1.00 53.33 C ATOM 1315 O ARG A 90 21.718 -23.584 8.591 1.00 43.52 O ATOM 1316 CB ARG A 90 21.966 -20.817 8.261 1.00 21.50 C ATOM 1317 CG ARG A 90 22.208 -19.438 7.671 1.00 13.55 C ATOM 1318 CD ARG A 90 23.693 -19.139 7.542 1.00 62.41 C ATOM 1319 NE ARG A 90 24.226 -18.484 8.734 1.00 70.35 N ATOM 1320 CZ ARG A 90 25.501 -18.137 8.874 1.00 74.44 C ATOM 1321 NH1 ARG A 90 26.368 -18.381 7.901 1.00 22.43 N ATOM 1322 NH2 ARG A 90 25.909 -17.545 9.988 1.00 4.41 N ATOM 0 H ARG A 90 19.468 -21.620 9.144 1.00 65.13 H new ATOM 0 HA ARG A 90 20.799 -21.290 6.518 1.00 24.44 H new ATOM 0 HB2 ARG A 90 21.721 -20.713 9.318 1.00 21.50 H new ATOM 0 HB3 ARG A 90 22.889 -21.395 8.203 1.00 21.50 H new ATOM 0 HG2 ARG A 90 21.736 -19.373 6.690 1.00 13.55 H new ATOM 0 HG3 ARG A 90 21.738 -18.684 8.302 1.00 13.55 H new ATOM 0 HD2 ARG A 90 24.236 -20.068 7.366 1.00 62.41 H new ATOM 0 HD3 ARG A 90 23.860 -18.502 6.673 1.00 62.41 H new ATOM 0 HE ARG A 90 23.584 -18.282 9.501 1.00 70.35 H new ATOM 0 HH11 ARG A 90 26.057 -18.836 7.043 1.00 22.43 H new ATOM 0 HH12 ARG A 90 27.346 -18.114 8.011 1.00 22.43 H new ATOM 0 HH21 ARG A 90 25.244 -17.356 10.738 1.00 4.41 H new ATOM 0 HH22 ARG A 90 26.888 -17.279 10.095 1.00 4.41 H new ATOM 1336 N ASP A 91 20.739 -23.807 6.578 1.00 35.40 N ATOM 1337 CA ASP A 91 20.958 -25.247 6.509 1.00 64.41 C ATOM 1338 C ASP A 91 20.237 -25.963 7.647 1.00 53.42 C ATOM 1339 O ASP A 91 20.757 -26.917 8.222 1.00 32.53 O ATOM 1340 CB ASP A 91 22.455 -25.559 6.562 1.00 72.44 C ATOM 1341 CG ASP A 91 23.290 -24.510 5.855 1.00 62.01 C ATOM 1342 OD1 ASP A 91 24.323 -24.093 6.421 1.00 71.43 O ATOM 1343 OD2 ASP A 91 22.912 -24.106 4.736 1.00 51.03 O ATOM 0 H ASP A 91 20.260 -23.414 5.768 1.00 35.40 H new ATOM 0 HA ASP A 91 20.552 -25.606 5.563 1.00 64.41 H new ATOM 0 HB2 ASP A 91 22.772 -25.631 7.603 1.00 72.44 H new ATOM 0 HB3 ASP A 91 22.637 -26.532 6.106 1.00 72.44 H new ATOM 1348 N GLY A 92 19.035 -25.492 7.967 1.00 72.51 N ATOM 1349 CA GLY A 92 18.262 -26.098 9.035 1.00 32.04 C ATOM 1350 C GLY A 92 18.328 -25.300 10.323 1.00 73.14 C ATOM 1351 O GLY A 92 17.534 -25.518 11.238 1.00 23.53 O ATOM 0 H GLY A 92 18.583 -24.702 7.506 1.00 72.51 H new ATOM 0 HA2 GLY A 92 17.222 -26.189 8.720 1.00 32.04 H new ATOM 0 HA3 GLY A 92 18.629 -27.108 9.218 1.00 32.04 H new ATOM 1355 N VAL A 93 19.278 -24.373 10.394 1.00 14.04 N ATOM 1356 CA VAL A 93 19.445 -23.540 11.579 1.00 33.03 C ATOM 1357 C VAL A 93 18.250 -22.614 11.773 1.00 54.51 C ATOM 1358 O VAL A 93 17.660 -22.133 10.805 1.00 12.21 O ATOM 1359 CB VAL A 93 20.728 -22.693 11.493 1.00 23.04 C ATOM 1360 CG1 VAL A 93 20.808 -21.724 12.663 1.00 51.31 C ATOM 1361 CG2 VAL A 93 21.956 -23.590 11.449 1.00 21.02 C ATOM 0 H VAL A 93 19.943 -24.180 9.645 1.00 14.04 H new ATOM 0 HA VAL A 93 19.520 -24.215 12.432 1.00 33.03 H new ATOM 0 HB VAL A 93 20.697 -22.111 10.572 1.00 23.04 H new ATOM 0 HG11 VAL A 93 21.721 -21.134 12.585 1.00 51.31 H new ATOM 0 HG12 VAL A 93 19.944 -21.060 12.645 1.00 51.31 H new ATOM 0 HG13 VAL A 93 20.816 -22.283 13.599 1.00 51.31 H new ATOM 0 HG21 VAL A 93 22.854 -22.975 11.388 1.00 21.02 H new ATOM 0 HG22 VAL A 93 21.994 -24.199 12.352 1.00 21.02 H new ATOM 0 HG23 VAL A 93 21.901 -24.239 10.575 1.00 21.02 H new ATOM 1371 N VAL A 94 17.897 -22.366 13.030 1.00 20.25 N ATOM 1372 CA VAL A 94 16.773 -21.495 13.352 1.00 33.51 C ATOM 1373 C VAL A 94 17.246 -20.216 14.034 1.00 75.43 C ATOM 1374 O VAL A 94 17.752 -20.249 15.155 1.00 61.43 O ATOM 1375 CB VAL A 94 15.756 -22.206 14.266 1.00 4.40 C ATOM 1376 CG1 VAL A 94 16.453 -22.797 15.482 1.00 43.31 C ATOM 1377 CG2 VAL A 94 14.656 -21.243 14.687 1.00 21.33 C ATOM 0 H VAL A 94 18.374 -22.756 13.843 1.00 20.25 H new ATOM 0 HA VAL A 94 16.288 -21.242 12.409 1.00 33.51 H new ATOM 0 HB VAL A 94 15.299 -23.023 13.707 1.00 4.40 H new ATOM 0 HG11 VAL A 94 15.719 -23.295 16.116 1.00 43.31 H new ATOM 0 HG12 VAL A 94 17.202 -23.520 15.157 1.00 43.31 H new ATOM 0 HG13 VAL A 94 16.938 -22.001 16.046 1.00 43.31 H new ATOM 0 HG21 VAL A 94 13.946 -21.761 15.332 1.00 21.33 H new ATOM 0 HG22 VAL A 94 15.094 -20.405 15.229 1.00 21.33 H new ATOM 0 HG23 VAL A 94 14.139 -20.872 13.802 1.00 21.33 H new ATOM 1387 N MET A 95 17.076 -19.090 13.349 1.00 70.11 N ATOM 1388 CA MET A 95 17.484 -17.799 13.890 1.00 41.34 C ATOM 1389 C MET A 95 16.561 -16.688 13.399 1.00 12.25 C ATOM 1390 O MET A 95 16.067 -16.730 12.273 1.00 63.04 O ATOM 1391 CB MET A 95 18.929 -17.489 13.493 1.00 71.23 C ATOM 1392 CG MET A 95 19.472 -16.216 14.121 1.00 62.02 C ATOM 1393 SD MET A 95 19.579 -16.319 15.918 1.00 51.22 S ATOM 1394 CE MET A 95 21.220 -15.659 16.198 1.00 42.32 C ATOM 0 H MET A 95 16.659 -19.045 12.419 1.00 70.11 H new ATOM 0 HA MET A 95 17.416 -17.851 14.977 1.00 41.34 H new ATOM 0 HB2 MET A 95 19.564 -18.326 13.782 1.00 71.23 H new ATOM 0 HB3 MET A 95 18.989 -17.403 12.408 1.00 71.23 H new ATOM 0 HG2 MET A 95 20.461 -16.008 13.713 1.00 62.02 H new ATOM 0 HG3 MET A 95 18.831 -15.378 13.846 1.00 62.02 H new ATOM 0 HE1 MET A 95 21.434 -15.658 17.267 1.00 42.32 H new ATOM 0 HE2 MET A 95 21.954 -16.278 15.682 1.00 42.32 H new ATOM 0 HE3 MET A 95 21.272 -14.639 15.816 1.00 42.32 H new ATOM 1404 N SER A 96 16.332 -15.695 14.253 1.00 35.12 N ATOM 1405 CA SER A 96 15.464 -14.575 13.908 1.00 30.11 C ATOM 1406 C SER A 96 16.265 -13.281 13.799 1.00 71.23 C ATOM 1407 O SER A 96 17.051 -12.948 14.685 1.00 63.43 O ATOM 1408 CB SER A 96 14.359 -14.417 14.954 1.00 31.22 C ATOM 1409 OG SER A 96 14.752 -14.970 16.198 1.00 33.24 O ATOM 0 H SER A 96 16.735 -15.643 15.188 1.00 35.12 H new ATOM 0 HA SER A 96 15.010 -14.784 12.939 1.00 30.11 H new ATOM 0 HB2 SER A 96 14.122 -13.361 15.081 1.00 31.22 H new ATOM 0 HB3 SER A 96 13.451 -14.908 14.605 1.00 31.22 H new ATOM 0 HG SER A 96 14.029 -14.855 16.850 1.00 33.24 H new ATOM 1415 N ALA A 97 16.058 -12.556 12.705 1.00 44.45 N ATOM 1416 CA ALA A 97 16.759 -11.297 12.479 1.00 72.42 C ATOM 1417 C ALA A 97 15.837 -10.262 11.845 1.00 55.24 C ATOM 1418 O ALA A 97 15.034 -10.583 10.968 1.00 74.41 O ATOM 1419 CB ALA A 97 17.982 -11.524 11.603 1.00 23.12 C ATOM 0 H ALA A 97 15.411 -12.818 11.961 1.00 44.45 H new ATOM 0 HA ALA A 97 17.084 -10.912 13.445 1.00 72.42 H new ATOM 0 HB1 ALA A 97 18.496 -10.576 11.442 1.00 23.12 H new ATOM 0 HB2 ALA A 97 18.657 -12.224 12.095 1.00 23.12 H new ATOM 0 HB3 ALA A 97 17.671 -11.935 10.643 1.00 23.12 H new ATOM 1425 N THR A 98 15.956 -9.016 12.294 1.00 75.05 N ATOM 1426 CA THR A 98 15.131 -7.933 11.771 1.00 23.43 C ATOM 1427 C THR A 98 15.721 -7.364 10.486 1.00 3.13 C ATOM 1428 O THR A 98 16.900 -7.011 10.437 1.00 52.42 O ATOM 1429 CB THR A 98 14.978 -6.797 12.800 1.00 24.32 C ATOM 1430 OG1 THR A 98 14.505 -7.324 14.045 1.00 50.12 O ATOM 1431 CG2 THR A 98 14.015 -5.735 12.294 1.00 54.22 C ATOM 0 H THR A 98 16.615 -8.732 13.018 1.00 75.05 H new ATOM 0 HA THR A 98 14.149 -8.357 11.560 1.00 23.43 H new ATOM 0 HB THR A 98 15.955 -6.337 12.949 1.00 24.32 H new ATOM 0 HG1 THR A 98 14.412 -6.596 14.694 1.00 50.12 H new ATOM 0 HG21 THR A 98 13.923 -4.943 13.038 1.00 54.22 H new ATOM 0 HG22 THR A 98 14.393 -5.315 11.362 1.00 54.22 H new ATOM 0 HG23 THR A 98 13.037 -6.184 12.119 1.00 54.22 H new ATOM 1439 N ILE A 99 14.895 -7.277 9.449 1.00 22.02 N ATOM 1440 CA ILE A 99 15.336 -6.748 8.164 1.00 31.24 C ATOM 1441 C ILE A 99 14.615 -5.447 7.829 1.00 4.23 C ATOM 1442 O ILE A 99 13.386 -5.388 7.827 1.00 13.13 O ATOM 1443 CB ILE A 99 15.099 -7.760 7.028 1.00 61.40 C ATOM 1444 CG1 ILE A 99 15.581 -9.151 7.446 1.00 72.23 C ATOM 1445 CG2 ILE A 99 15.807 -7.308 5.760 1.00 53.45 C ATOM 1446 CD1 ILE A 99 17.041 -9.192 7.838 1.00 62.54 C ATOM 0 H ILE A 99 13.917 -7.566 9.473 1.00 22.02 H new ATOM 0 HA ILE A 99 16.405 -6.556 8.252 1.00 31.24 H new ATOM 0 HB ILE A 99 14.029 -7.812 6.825 1.00 61.40 H new ATOM 0 HG12 ILE A 99 14.978 -9.499 8.285 1.00 72.23 H new ATOM 0 HG13 ILE A 99 15.414 -9.847 6.624 1.00 72.23 H new ATOM 0 HG21 ILE A 99 15.630 -8.034 4.966 1.00 53.45 H new ATOM 0 HG22 ILE A 99 15.421 -6.335 5.455 1.00 53.45 H new ATOM 0 HG23 ILE A 99 16.878 -7.231 5.949 1.00 53.45 H new ATOM 0 HD11 ILE A 99 17.313 -10.208 8.122 1.00 62.54 H new ATOM 0 HD12 ILE A 99 17.653 -8.875 6.994 1.00 62.54 H new ATOM 0 HD13 ILE A 99 17.210 -8.522 8.681 1.00 62.54 H new ATOM 1458 N VAL A 100 15.390 -4.405 7.544 1.00 13.52 N ATOM 1459 CA VAL A 100 14.826 -3.104 7.204 1.00 12.41 C ATOM 1460 C VAL A 100 15.176 -2.710 5.773 1.00 10.05 C ATOM 1461 O VAL A 100 16.336 -2.449 5.456 1.00 5.01 O ATOM 1462 CB VAL A 100 15.326 -2.007 8.163 1.00 35.25 C ATOM 1463 CG1 VAL A 100 16.844 -2.029 8.255 1.00 53.43 C ATOM 1464 CG2 VAL A 100 14.829 -0.641 7.715 1.00 3.11 C ATOM 0 H VAL A 100 16.410 -4.437 7.542 1.00 13.52 H new ATOM 0 HA VAL A 100 13.744 -3.194 7.299 1.00 12.41 H new ATOM 0 HB VAL A 100 14.924 -2.206 9.156 1.00 35.25 H new ATOM 0 HG11 VAL A 100 17.179 -1.247 8.937 1.00 53.43 H new ATOM 0 HG12 VAL A 100 17.172 -3.000 8.627 1.00 53.43 H new ATOM 0 HG13 VAL A 100 17.271 -1.856 7.267 1.00 53.43 H new ATOM 0 HG21 VAL A 100 15.192 0.122 8.404 1.00 3.11 H new ATOM 0 HG22 VAL A 100 15.200 -0.430 6.712 1.00 3.11 H new ATOM 0 HG23 VAL A 100 13.739 -0.635 7.708 1.00 3.11 H new ATOM 1474 N VAL A 101 14.164 -2.669 4.912 1.00 1.44 N ATOM 1475 CA VAL A 101 14.364 -2.305 3.515 1.00 41.13 C ATOM 1476 C VAL A 101 13.917 -0.871 3.250 1.00 23.55 C ATOM 1477 O VAL A 101 12.790 -0.494 3.565 1.00 55.42 O ATOM 1478 CB VAL A 101 13.597 -3.252 2.573 1.00 13.00 C ATOM 1479 CG1 VAL A 101 13.951 -2.965 1.122 1.00 51.21 C ATOM 1480 CG2 VAL A 101 13.888 -4.703 2.924 1.00 21.14 C ATOM 0 H VAL A 101 13.198 -2.883 5.158 1.00 1.44 H new ATOM 0 HA VAL A 101 15.432 -2.392 3.316 1.00 41.13 H new ATOM 0 HB VAL A 101 12.529 -3.078 2.702 1.00 13.00 H new ATOM 0 HG11 VAL A 101 13.399 -3.644 0.472 1.00 51.21 H new ATOM 0 HG12 VAL A 101 13.687 -1.936 0.880 1.00 51.21 H new ATOM 0 HG13 VAL A 101 15.021 -3.109 0.973 1.00 51.21 H new ATOM 0 HG21 VAL A 101 13.338 -5.358 2.248 1.00 21.14 H new ATOM 0 HG22 VAL A 101 14.957 -4.894 2.825 1.00 21.14 H new ATOM 0 HG23 VAL A 101 13.578 -4.898 3.951 1.00 21.14 H new ATOM 1490 N GLY A 102 14.811 -0.076 2.669 1.00 32.35 N ATOM 1491 CA GLY A 102 14.490 1.307 2.372 1.00 10.30 C ATOM 1492 C GLY A 102 14.449 1.586 0.883 1.00 61.35 C ATOM 1493 O GLY A 102 15.481 1.564 0.213 1.00 70.44 O ATOM 0 H GLY A 102 15.751 -0.365 2.399 1.00 32.35 H new ATOM 0 HA2 GLY A 102 13.524 1.555 2.812 1.00 10.30 H new ATOM 0 HA3 GLY A 102 15.229 1.957 2.840 1.00 10.30 H new ATOM 1497 N GLU A 103 13.253 1.847 0.363 1.00 25.23 N ATOM 1498 CA GLU A 103 13.083 2.128 -1.057 1.00 62.13 C ATOM 1499 C GLU A 103 13.847 3.387 -1.458 1.00 63.53 C ATOM 1500 O GLU A 103 14.402 3.467 -2.555 1.00 73.03 O ATOM 1501 CB GLU A 103 11.599 2.290 -1.394 1.00 23.04 C ATOM 1502 CG GLU A 103 10.749 1.099 -0.986 1.00 21.44 C ATOM 1503 CD GLU A 103 11.440 -0.227 -1.243 1.00 11.50 C ATOM 1504 OE1 GLU A 103 12.329 -0.596 -0.448 1.00 3.55 O ATOM 1505 OE2 GLU A 103 11.092 -0.894 -2.239 1.00 72.11 O ATOM 0 H GLU A 103 12.389 1.869 0.904 1.00 25.23 H new ATOM 0 HA GLU A 103 13.486 1.285 -1.618 1.00 62.13 H new ATOM 0 HB2 GLU A 103 11.218 3.184 -0.900 1.00 23.04 H new ATOM 0 HB3 GLU A 103 11.494 2.450 -2.467 1.00 23.04 H new ATOM 0 HG2 GLU A 103 10.505 1.178 0.073 1.00 21.44 H new ATOM 0 HG3 GLU A 103 9.807 1.125 -1.533 1.00 21.44 H new