USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 948 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 81 ASN : amide:sc= -7.66! K(o=-18!,f=-12) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -10.5! C(o=-18!,f=-12!) USER MOD Set 2.1: A 39 SER OG : rot 89:sc= 0.987 USER MOD Set 2.2: A 110 SER OG : rot 155:sc= -0.228 USER MOD Single : A 4 THR OG1 : rot -140:sc= -1.5 USER MOD Single : A 6 LYS NZ :NH3+ -123:sc= -1.89 (180deg=-2.71!) USER MOD Single : A 7 SER OG : rot 18:sc= 0.612! USER MOD Single : A 9 TYR OH : rot -32:sc= -3.7! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 157:sc= -1.2 (180deg=-1.64) USER MOD Single : A 18 SER OG : rot -79:sc= -0.852 USER MOD Single : A 27 ASN : amide:sc=-0.00211 X(o=-0.0021,f=-0.077) USER MOD Single : A 33 CYS SG : rot 112:sc= -1.12 USER MOD Single : A 35 LYS NZ :NH3+ -123:sc= -0.126 (180deg=-1.21) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -155:sc= -1.16! (180deg=-3.5!) USER MOD Single : A 49 TYR OH : rot 159:sc= -1.28 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0669 USER MOD Single : A 59 GLN : amide:sc= -0.308 X(o=-0.31,f=-0.069) USER MOD Single : A 62 TYR OH : rot 180:sc= -1.25 USER MOD Single : A 66 LYS NZ :NH3+ 161:sc= -1 (180deg=-2.61!) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -154:sc= -0.05 (180deg=-0.43) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0632 USER MOD Single : A 91 MET CE :methyl -167:sc= -4.18! (180deg=-4.84!) USER MOD Single : A 92 SER OG : rot -132:sc= 0.543 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -2.34! C(o=-2.3!,f=-4.3!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -136:sc= -0.142 (180deg=-0.977) USER MOD Single : A 106 TYR OH : rot -99:sc= -2.14! USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.47! USER MOD Single : A 109 TYR OH : rot -8:sc= -1.37 USER MOD Single : A 113 ASN : amide:sc= -2.51 K(o=-2.5,f=-4.3!) USER MOD ----------------------------------------------------------------- ATOM 69 N THR A 4 -11.308 -4.552 4.525 1.00 53.15 N ATOM 70 CA THR A 4 -11.120 -4.333 5.949 1.00 1.20 C ATOM 71 C THR A 4 -10.330 -3.044 6.191 1.00 34.02 C ATOM 72 O THR A 4 -10.895 -2.034 6.607 1.00 52.13 O ATOM 73 CB THR A 4 -10.447 -5.575 6.535 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.517 -5.972 5.532 1.00 53.12 O ATOM 75 CG2 THR A 4 -11.407 -6.763 6.644 1.00 74.44 C ATOM 0 HA THR A 4 -12.075 -4.193 6.456 1.00 1.20 H new ATOM 0 HB THR A 4 -10.045 -5.340 7.521 1.00 73.15 H new ATOM 0 HG1 THR A 4 -9.513 -6.949 5.458 1.00 53.12 H new ATOM 0 HG21 THR A 4 -10.880 -7.619 7.066 1.00 74.44 H new ATOM 0 HG22 THR A 4 -12.243 -6.497 7.291 1.00 74.44 H new ATOM 0 HG23 THR A 4 -11.782 -7.020 5.653 1.00 74.44 H new ATOM 83 N PHE A 5 -9.036 -3.121 5.919 1.00 11.00 N ATOM 84 CA PHE A 5 -8.163 -1.974 6.100 1.00 22.31 C ATOM 85 C PHE A 5 -8.512 -0.858 5.115 1.00 41.51 C ATOM 86 O PHE A 5 -8.209 0.309 5.359 1.00 44.32 O ATOM 87 CB PHE A 5 -6.734 -2.451 5.828 1.00 64.21 C ATOM 88 CG PHE A 5 -5.711 -1.319 5.720 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.329 -0.639 6.833 1.00 75.11 C ATOM 90 CD2 PHE A 5 -5.184 -0.994 4.509 1.00 10.12 C ATOM 91 CE1 PHE A 5 -4.379 0.412 6.732 1.00 33.11 C ATOM 92 CE2 PHE A 5 -4.233 0.057 4.408 1.00 0.14 C ATOM 93 CZ PHE A 5 -3.852 0.737 5.521 1.00 2.25 C ATOM 0 H PHE A 5 -8.571 -3.961 5.574 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.274 -1.578 7.109 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.429 -3.127 6.627 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.724 -3.026 4.902 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -5.748 -0.898 7.794 1.00 75.11 H new ATOM 0 HD2 PHE A 5 -5.488 -1.534 3.625 1.00 10.12 H new ATOM 0 HE1 PHE A 5 -4.075 0.953 7.616 1.00 33.11 H new ATOM 0 HE2 PHE A 5 -3.813 0.315 3.447 1.00 0.14 H new ATOM 0 HZ PHE A 5 -3.130 1.536 5.444 1.00 2.25 H new ATOM 103 N LYS A 6 -9.145 -1.254 4.021 1.00 54.43 N ATOM 104 CA LYS A 6 -9.538 -0.302 2.996 1.00 61.10 C ATOM 105 C LYS A 6 -11.027 0.015 3.145 1.00 23.11 C ATOM 106 O LYS A 6 -11.485 1.075 2.724 1.00 53.24 O ATOM 107 CB LYS A 6 -9.156 -0.820 1.608 1.00 72.11 C ATOM 108 CG LYS A 6 -7.912 -1.707 1.677 1.00 41.42 C ATOM 109 CD LYS A 6 -7.338 -1.958 0.281 1.00 55.05 C ATOM 110 CE LYS A 6 -8.457 -2.141 -0.747 1.00 11.24 C ATOM 111 NZ LYS A 6 -9.371 -3.227 -0.327 1.00 41.43 N ATOM 0 H LYS A 6 -9.396 -2.222 3.822 1.00 54.43 H new ATOM 0 HA LYS A 6 -8.997 0.636 3.121 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -9.987 -1.385 1.185 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -8.970 0.021 0.940 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -7.157 -1.233 2.304 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -8.165 -2.658 2.146 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -6.704 -1.121 -0.011 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -6.706 -2.846 0.298 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -9.014 -1.211 -0.857 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -8.029 -2.374 -1.722 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -9.417 -3.950 -1.073 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -9.018 -3.658 0.551 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -10.321 -2.837 -0.163 1.00 41.43 H new ATOM 125 N SER A 7 -11.742 -0.925 3.748 1.00 32.24 N ATOM 126 CA SER A 7 -13.170 -0.758 3.957 1.00 10.10 C ATOM 127 C SER A 7 -13.422 0.323 5.011 1.00 13.42 C ATOM 128 O SER A 7 -14.565 0.708 5.249 1.00 63.35 O ATOM 129 CB SER A 7 -13.821 -2.076 4.384 1.00 44.33 C ATOM 130 OG SER A 7 -14.952 -1.865 5.224 1.00 52.21 O ATOM 0 H SER A 7 -11.359 -1.803 4.098 1.00 32.24 H new ATOM 0 HA SER A 7 -13.620 -0.449 3.014 1.00 10.10 H new ATOM 0 HB2 SER A 7 -14.126 -2.633 3.498 1.00 44.33 H new ATOM 0 HB3 SER A 7 -13.088 -2.689 4.909 1.00 44.33 H new ATOM 0 HG SER A 7 -15.262 -0.940 5.130 1.00 52.21 H new ATOM 136 N GLU A 8 -12.334 0.784 5.611 1.00 33.03 N ATOM 137 CA GLU A 8 -12.422 1.814 6.631 1.00 53.01 C ATOM 138 C GLU A 8 -12.581 3.191 5.985 1.00 75.05 C ATOM 139 O GLU A 8 -13.476 3.953 6.350 1.00 11.10 O ATOM 140 CB GLU A 8 -11.202 1.779 7.553 1.00 50.33 C ATOM 141 CG GLU A 8 -11.274 2.891 8.601 1.00 33.05 C ATOM 142 CD GLU A 8 -11.893 2.380 9.903 1.00 44.11 C ATOM 143 OE1 GLU A 8 -11.835 3.071 10.931 1.00 71.32 O ATOM 144 OE2 GLU A 8 -12.452 1.220 9.821 1.00 31.12 O ATOM 0 H GLU A 8 -11.387 0.463 5.410 1.00 33.03 H new ATOM 0 HA GLU A 8 -13.304 1.617 7.241 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -11.145 0.810 8.049 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -10.292 1.889 6.963 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -10.273 3.276 8.797 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -11.865 3.721 8.215 1.00 33.05 H new ATOM 152 N TYR A 9 -11.699 3.468 5.035 1.00 11.51 N ATOM 153 CA TYR A 9 -11.730 4.741 4.334 1.00 34.03 C ATOM 154 C TYR A 9 -11.851 4.531 2.823 1.00 13.04 C ATOM 155 O TYR A 9 -11.637 3.426 2.327 1.00 20.14 O ATOM 156 CB TYR A 9 -10.394 5.423 4.638 1.00 23.45 C ATOM 157 CG TYR A 9 -9.202 4.465 4.670 1.00 45.31 C ATOM 158 CD1 TYR A 9 -8.974 3.684 5.784 1.00 31.32 C ATOM 159 CD2 TYR A 9 -8.353 4.385 3.585 1.00 32.35 C ATOM 160 CE1 TYR A 9 -7.851 2.784 5.815 1.00 14.01 C ATOM 161 CE2 TYR A 9 -7.230 3.484 3.616 1.00 14.04 C ATOM 162 CZ TYR A 9 -7.033 2.728 4.729 1.00 24.23 C ATOM 163 OH TYR A 9 -5.973 1.877 4.758 1.00 62.13 O ATOM 0 H TYR A 9 -10.959 2.833 4.735 1.00 11.51 H new ATOM 0 HA TYR A 9 -12.585 5.336 4.655 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -10.210 6.191 3.887 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -10.467 5.929 5.600 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -9.638 3.748 6.633 1.00 31.32 H new ATOM 0 HD2 TYR A 9 -8.531 4.998 2.713 1.00 32.35 H new ATOM 0 HE1 TYR A 9 -7.662 2.167 6.681 1.00 14.01 H new ATOM 0 HE2 TYR A 9 -6.559 3.410 2.773 1.00 14.04 H new ATOM 0 HH TYR A 9 -5.643 1.797 5.677 1.00 62.13 H new ATOM 173 N PRO A 10 -12.202 5.638 2.116 1.00 21.33 N ATOM 174 CA PRO A 10 -12.353 5.586 0.671 1.00 5.43 C ATOM 175 C PRO A 10 -10.989 5.533 -0.022 1.00 23.30 C ATOM 176 O PRO A 10 -9.954 5.486 0.641 1.00 24.20 O ATOM 177 CB PRO A 10 -13.153 6.829 0.315 1.00 2.54 C ATOM 178 CG PRO A 10 -13.020 7.766 1.505 1.00 23.32 C ATOM 179 CD PRO A 10 -12.463 6.963 2.669 1.00 44.44 C ATOM 0 HA PRO A 10 -12.868 4.687 0.334 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.769 7.294 -0.593 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -14.198 6.581 0.128 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -12.359 8.598 1.264 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -13.988 8.194 1.765 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.552 7.415 3.061 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -13.175 6.915 3.493 1.00 44.44 H new ATOM 187 N PHE A 11 -11.033 5.543 -1.345 1.00 12.11 N ATOM 188 CA PHE A 11 -9.815 5.498 -2.135 1.00 25.15 C ATOM 189 C PHE A 11 -9.091 6.844 -2.106 1.00 3.34 C ATOM 190 O PHE A 11 -7.863 6.895 -2.152 1.00 13.02 O ATOM 191 CB PHE A 11 -10.226 5.184 -3.575 1.00 73.12 C ATOM 192 CG PHE A 11 -9.133 5.462 -4.609 1.00 53.51 C ATOM 193 CD1 PHE A 11 -8.185 4.521 -4.867 1.00 64.31 C ATOM 194 CD2 PHE A 11 -9.109 6.650 -5.271 1.00 3.24 C ATOM 195 CE1 PHE A 11 -7.172 4.780 -5.826 1.00 0.24 C ATOM 196 CE2 PHE A 11 -8.095 6.908 -6.230 1.00 60.21 C ATOM 197 CZ PHE A 11 -7.147 5.968 -6.488 1.00 72.02 C ATOM 0 H PHE A 11 -11.894 5.582 -1.891 1.00 12.11 H new ATOM 0 HA PHE A 11 -9.139 4.744 -1.731 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -10.514 4.135 -3.639 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -11.108 5.773 -3.827 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -8.204 3.577 -4.342 1.00 64.31 H new ATOM 0 HD2 PHE A 11 -9.862 7.397 -5.067 1.00 3.24 H new ATOM 0 HE1 PHE A 11 -6.420 4.033 -6.031 1.00 0.24 H new ATOM 0 HE2 PHE A 11 -8.076 7.852 -6.755 1.00 60.21 H new ATOM 0 HZ PHE A 11 -6.375 6.164 -7.218 1.00 72.02 H new ATOM 207 N GLU A 12 -9.883 7.903 -2.030 1.00 32.21 N ATOM 208 CA GLU A 12 -9.333 9.249 -1.994 1.00 43.50 C ATOM 209 C GLU A 12 -8.622 9.496 -0.662 1.00 41.32 C ATOM 210 O GLU A 12 -7.975 10.527 -0.482 1.00 72.13 O ATOM 211 CB GLU A 12 -10.425 10.293 -2.236 1.00 61.12 C ATOM 212 CG GLU A 12 -10.582 10.587 -3.729 1.00 72.25 C ATOM 213 CD GLU A 12 -11.689 11.615 -3.973 1.00 53.25 C ATOM 214 OE1 GLU A 12 -12.841 11.235 -4.227 1.00 30.14 O ATOM 215 OE2 GLU A 12 -11.315 12.846 -3.889 1.00 20.32 O ATOM 0 H GLU A 12 -10.901 7.857 -1.992 1.00 32.21 H new ATOM 0 HA GLU A 12 -8.601 9.344 -2.796 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -11.371 9.935 -1.831 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -10.178 11.212 -1.705 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -9.640 10.960 -4.131 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -10.813 9.665 -4.262 1.00 72.25 H new ATOM 223 N LYS A 13 -8.766 8.533 0.237 1.00 5.43 N ATOM 224 CA LYS A 13 -8.146 8.634 1.546 1.00 64.41 C ATOM 225 C LYS A 13 -6.867 7.795 1.566 1.00 40.34 C ATOM 226 O LYS A 13 -5.850 8.220 2.110 1.00 3.22 O ATOM 227 CB LYS A 13 -9.144 8.258 2.643 1.00 65.01 C ATOM 228 CG LYS A 13 -8.432 8.029 3.978 1.00 14.12 C ATOM 229 CD LYS A 13 -7.776 9.317 4.478 1.00 72.31 C ATOM 230 CE LYS A 13 -8.691 10.522 4.252 1.00 2.41 C ATOM 231 NZ LYS A 13 -8.334 11.625 5.174 1.00 34.20 N ATOM 0 H LYS A 13 -9.303 7.679 0.084 1.00 5.43 H new ATOM 0 HA LYS A 13 -7.856 9.665 1.751 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -9.884 9.050 2.753 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -9.683 7.356 2.355 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -9.147 7.670 4.718 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -7.676 7.253 3.862 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -7.547 9.224 5.540 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -6.830 9.472 3.960 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -8.607 10.861 3.220 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -9.730 10.232 4.408 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -8.965 12.435 5.007 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -8.437 11.303 6.157 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -7.349 11.913 5.006 1.00 34.20 H new ATOM 245 N ARG A 14 -6.959 6.617 0.965 1.00 61.35 N ATOM 246 CA ARG A 14 -5.823 5.715 0.907 1.00 70.54 C ATOM 247 C ARG A 14 -4.778 6.240 -0.078 1.00 72.40 C ATOM 248 O ARG A 14 -3.578 6.154 0.178 1.00 21.25 O ATOM 249 CB ARG A 14 -6.256 4.310 0.481 1.00 65.45 C ATOM 250 CG ARG A 14 -6.457 4.237 -1.034 1.00 13.40 C ATOM 251 CD ARG A 14 -6.878 2.828 -1.462 1.00 22.22 C ATOM 252 NE ARG A 14 -5.893 1.835 -0.978 1.00 41.21 N ATOM 253 CZ ARG A 14 -5.962 1.227 0.225 1.00 43.14 C ATOM 254 NH1 ARG A 14 -6.971 1.505 1.078 1.00 33.03 N ATOM 255 NH2 ARG A 14 -5.027 0.355 0.557 1.00 2.22 N ATOM 0 H ARG A 14 -7.804 6.267 0.514 1.00 61.35 H new ATOM 0 HA ARG A 14 -5.391 5.662 1.906 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -5.503 3.584 0.787 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -7.183 4.041 0.988 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -7.217 4.956 -1.339 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -5.533 4.515 -1.541 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -7.865 2.598 -1.062 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -6.954 2.777 -2.548 1.00 22.22 H new ATOM 0 HE ARG A 14 -5.114 1.595 -1.591 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -7.690 2.180 0.815 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -7.015 1.040 1.985 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -4.267 0.150 -0.092 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -5.065 -0.113 1.462 1.00 2.22 H new ATOM 269 N LYS A 15 -5.272 6.775 -1.187 1.00 2.20 N ATOM 270 CA LYS A 15 -4.396 7.315 -2.212 1.00 31.35 C ATOM 271 C LYS A 15 -3.534 8.425 -1.609 1.00 5.31 C ATOM 272 O LYS A 15 -2.363 8.566 -1.955 1.00 31.23 O ATOM 273 CB LYS A 15 -5.206 7.758 -3.430 1.00 63.02 C ATOM 274 CG LYS A 15 -5.772 9.165 -3.230 1.00 33.43 C ATOM 275 CD LYS A 15 -6.670 9.569 -4.402 1.00 1.00 C ATOM 276 CE LYS A 15 -7.131 11.019 -4.265 1.00 21.04 C ATOM 277 NZ LYS A 15 -7.841 11.456 -5.489 1.00 61.42 N ATOM 0 H LYS A 15 -6.268 6.845 -1.397 1.00 2.20 H new ATOM 0 HA LYS A 15 -3.715 6.545 -2.574 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -4.574 7.739 -4.318 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -6.021 7.056 -3.604 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -6.342 9.203 -2.301 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -4.954 9.879 -3.131 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -6.129 9.443 -5.340 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -7.538 8.910 -4.444 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -7.789 11.118 -3.401 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -6.271 11.665 -4.086 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -8.468 12.254 -5.261 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -7.148 11.754 -6.205 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -8.407 10.667 -5.863 1.00 61.42 H new ATOM 291 N ALA A 16 -4.150 9.188 -0.715 1.00 43.45 N ATOM 292 CA ALA A 16 -3.454 10.283 -0.060 1.00 33.41 C ATOM 293 C ALA A 16 -2.639 9.734 1.113 1.00 52.13 C ATOM 294 O ALA A 16 -1.751 10.412 1.627 1.00 11.03 O ATOM 295 CB ALA A 16 -4.468 11.342 0.379 1.00 50.03 C ATOM 0 H ALA A 16 -5.122 9.069 -0.430 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.759 10.763 -0.749 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -3.947 12.163 0.870 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -5.000 11.720 -0.494 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -5.181 10.897 1.074 1.00 50.03 H new ATOM 301 N GLU A 17 -2.972 8.512 1.502 1.00 45.42 N ATOM 302 CA GLU A 17 -2.281 7.866 2.606 1.00 11.22 C ATOM 303 C GLU A 17 -0.906 7.368 2.154 1.00 13.51 C ATOM 304 O GLU A 17 0.102 7.651 2.798 1.00 44.12 O ATOM 305 CB GLU A 17 -3.118 6.719 3.178 1.00 32.21 C ATOM 306 CG GLU A 17 -2.344 5.963 4.260 1.00 41.44 C ATOM 307 CD GLU A 17 -1.810 6.926 5.324 1.00 1.55 C ATOM 308 OE1 GLU A 17 -2.470 7.924 5.644 1.00 64.25 O ATOM 309 OE2 GLU A 17 -0.665 6.603 5.823 1.00 63.21 O ATOM 0 H GLU A 17 -3.710 7.953 1.074 1.00 45.42 H new ATOM 0 HA GLU A 17 -2.137 8.600 3.399 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -4.044 7.113 3.596 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -3.396 6.033 2.378 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -2.993 5.223 4.727 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -1.515 5.419 3.807 1.00 41.44 H new ATOM 317 N SER A 18 -0.912 6.637 1.049 1.00 32.43 N ATOM 318 CA SER A 18 0.323 6.098 0.504 1.00 63.41 C ATOM 319 C SER A 18 1.221 7.237 0.016 1.00 73.40 C ATOM 320 O SER A 18 2.387 7.019 -0.307 1.00 73.04 O ATOM 321 CB SER A 18 0.040 5.119 -0.637 1.00 72.20 C ATOM 322 OG SER A 18 -1.295 5.236 -1.122 1.00 23.24 O ATOM 0 H SER A 18 -1.751 6.405 0.517 1.00 32.43 H new ATOM 0 HA SER A 18 0.837 5.553 1.296 1.00 63.41 H new ATOM 0 HB2 SER A 18 0.739 5.301 -1.453 1.00 72.20 H new ATOM 0 HB3 SER A 18 0.212 4.100 -0.291 1.00 72.20 H new ATOM 0 HG SER A 18 -1.907 4.774 -0.511 1.00 23.24 H new ATOM 328 N GLU A 19 0.641 8.428 -0.023 1.00 72.31 N ATOM 329 CA GLU A 19 1.375 9.602 -0.467 1.00 1.34 C ATOM 330 C GLU A 19 2.401 10.018 0.588 1.00 3.30 C ATOM 331 O GLU A 19 3.526 10.384 0.254 1.00 22.02 O ATOM 332 CB GLU A 19 0.420 10.755 -0.787 1.00 51.31 C ATOM 333 CG GLU A 19 -0.162 10.610 -2.194 1.00 25.43 C ATOM 334 CD GLU A 19 0.694 11.351 -3.222 1.00 10.12 C ATOM 335 OE1 GLU A 19 0.717 12.590 -3.233 1.00 65.44 O ATOM 336 OE2 GLU A 19 1.355 10.591 -4.030 1.00 13.54 O ATOM 0 H GLU A 19 -0.327 8.605 0.245 1.00 72.31 H new ATOM 0 HA GLU A 19 1.908 9.348 -1.383 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.388 10.776 -0.056 1.00 51.31 H new ATOM 0 HB3 GLU A 19 0.950 11.704 -0.705 1.00 51.31 H new ATOM 0 HG2 GLU A 19 -0.222 9.554 -2.459 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -1.179 11.002 -2.213 1.00 25.43 H new ATOM 344 N ARG A 20 1.976 9.946 1.842 1.00 64.42 N ATOM 345 CA ARG A 20 2.845 10.310 2.948 1.00 61.32 C ATOM 346 C ARG A 20 3.782 9.149 3.291 1.00 72.54 C ATOM 347 O ARG A 20 4.885 9.365 3.791 1.00 12.42 O ATOM 348 CB ARG A 20 2.031 10.681 4.189 1.00 21.21 C ATOM 349 CG ARG A 20 1.074 9.551 4.575 1.00 4.23 C ATOM 350 CD ARG A 20 0.859 9.508 6.089 1.00 54.55 C ATOM 351 NE ARG A 20 -0.408 10.188 6.439 1.00 51.32 N ATOM 352 CZ ARG A 20 -1.081 9.990 7.593 1.00 55.13 C ATOM 353 NH1 ARG A 20 -0.610 9.129 8.521 1.00 61.44 N ATOM 354 NH2 ARG A 20 -2.203 10.651 7.802 1.00 74.03 N ATOM 0 H ARG A 20 1.042 9.641 2.116 1.00 64.42 H new ATOM 0 HA ARG A 20 3.430 11.176 2.638 1.00 61.32 H new ATOM 0 HB2 ARG A 20 2.704 10.892 5.020 1.00 21.21 H new ATOM 0 HB3 ARG A 20 1.465 11.593 3.998 1.00 21.21 H new ATOM 0 HG2 ARG A 20 0.117 9.692 4.072 1.00 4.23 H new ATOM 0 HG3 ARG A 20 1.476 8.597 4.234 1.00 4.23 H new ATOM 0 HD2 ARG A 20 0.833 8.474 6.432 1.00 54.55 H new ATOM 0 HD3 ARG A 20 1.693 9.991 6.597 1.00 54.55 H new ATOM 0 HE ARG A 20 -0.798 10.848 5.766 1.00 51.32 H new ATOM 0 HH11 ARG A 20 0.260 8.623 8.353 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -1.124 8.985 9.390 1.00 61.44 H new ATOM 0 HH21 ARG A 20 -2.551 11.301 7.097 1.00 74.03 H new ATOM 0 HH22 ARG A 20 -2.723 10.512 8.669 1.00 74.03 H new ATOM 368 N ILE A 21 3.309 7.945 3.007 1.00 62.20 N ATOM 369 CA ILE A 21 4.092 6.750 3.278 1.00 14.54 C ATOM 370 C ILE A 21 5.289 6.703 2.329 1.00 33.24 C ATOM 371 O ILE A 21 6.264 6.000 2.588 1.00 12.23 O ATOM 372 CB ILE A 21 3.206 5.504 3.216 1.00 70.13 C ATOM 373 CG1 ILE A 21 2.558 5.221 4.572 1.00 52.51 C ATOM 374 CG2 ILE A 21 3.992 4.299 2.693 1.00 40.52 C ATOM 375 CD1 ILE A 21 1.736 3.932 4.530 1.00 64.42 C ATOM 0 H ILE A 21 2.394 7.770 2.592 1.00 62.20 H new ATOM 0 HA ILE A 21 4.492 6.778 4.292 1.00 14.54 H new ATOM 0 HB ILE A 21 2.399 5.695 2.509 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.330 5.139 5.338 1.00 52.51 H new ATOM 0 HG13 ILE A 21 1.917 6.056 4.854 1.00 52.51 H new ATOM 0 HG21 ILE A 21 3.340 3.426 2.659 1.00 40.52 H new ATOM 0 HG22 ILE A 21 4.364 4.514 1.691 1.00 40.52 H new ATOM 0 HG23 ILE A 21 4.833 4.097 3.356 1.00 40.52 H new ATOM 0 HD11 ILE A 21 1.287 3.755 5.507 1.00 64.42 H new ATOM 0 HD12 ILE A 21 0.950 4.026 3.781 1.00 64.42 H new ATOM 0 HD13 ILE A 21 2.385 3.095 4.272 1.00 64.42 H new ATOM 387 N ALA A 22 5.177 7.461 1.247 1.00 53.32 N ATOM 388 CA ALA A 22 6.238 7.514 0.257 1.00 24.25 C ATOM 389 C ALA A 22 7.352 8.436 0.758 1.00 24.12 C ATOM 390 O ALA A 22 8.443 8.462 0.191 1.00 11.34 O ATOM 391 CB ALA A 22 5.661 7.973 -1.085 1.00 5.11 C ATOM 0 H ALA A 22 4.367 8.043 1.035 1.00 53.32 H new ATOM 0 HA ALA A 22 6.671 6.525 0.105 1.00 24.25 H new ATOM 0 HB1 ALA A 22 6.457 8.013 -1.829 1.00 5.11 H new ATOM 0 HB2 ALA A 22 4.895 7.270 -1.411 1.00 5.11 H new ATOM 0 HB3 ALA A 22 5.220 8.963 -0.972 1.00 5.11 H new ATOM 397 N ASP A 23 7.038 9.170 1.816 1.00 25.10 N ATOM 398 CA ASP A 23 7.998 10.090 2.400 1.00 52.05 C ATOM 399 C ASP A 23 8.519 9.509 3.716 1.00 73.32 C ATOM 400 O ASP A 23 9.694 9.667 4.045 1.00 52.31 O ATOM 401 CB ASP A 23 7.350 11.442 2.705 1.00 42.33 C ATOM 402 CG ASP A 23 8.270 12.466 3.373 1.00 74.04 C ATOM 403 OD1 ASP A 23 9.279 12.891 2.792 1.00 25.13 O ATOM 404 OD2 ASP A 23 7.912 12.829 4.558 1.00 10.42 O ATOM 0 H ASP A 23 6.132 9.146 2.284 1.00 25.10 H new ATOM 0 HA ASP A 23 8.808 10.231 1.684 1.00 52.05 H new ATOM 0 HB2 ASP A 23 6.975 11.866 1.774 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.487 11.277 3.350 1.00 42.33 H new ATOM 410 N ARG A 24 7.621 8.849 4.432 1.00 2.03 N ATOM 411 CA ARG A 24 7.976 8.244 5.705 1.00 72.20 C ATOM 412 C ARG A 24 8.660 6.894 5.477 1.00 42.41 C ATOM 413 O ARG A 24 9.612 6.553 6.177 1.00 42.21 O ATOM 414 CB ARG A 24 6.739 8.040 6.581 1.00 3.23 C ATOM 415 CG ARG A 24 6.540 9.221 7.533 1.00 41.44 C ATOM 416 CD ARG A 24 7.137 8.922 8.908 1.00 53.35 C ATOM 417 NE ARG A 24 6.290 7.944 9.627 1.00 3.11 N ATOM 418 CZ ARG A 24 6.716 7.188 10.661 1.00 64.41 C ATOM 419 NH1 ARG A 24 7.986 7.292 11.108 1.00 24.30 N ATOM 420 NH2 ARG A 24 5.873 6.347 11.229 1.00 54.54 N ATOM 0 H ARG A 24 6.648 8.720 4.155 1.00 2.03 H new ATOM 0 HA ARG A 24 8.661 8.921 6.216 1.00 72.20 H new ATOM 0 HB2 ARG A 24 5.858 7.924 5.950 1.00 3.23 H new ATOM 0 HB3 ARG A 24 6.843 7.119 7.155 1.00 3.23 H new ATOM 0 HG2 ARG A 24 7.008 10.112 7.115 1.00 41.44 H new ATOM 0 HG3 ARG A 24 5.476 9.437 7.633 1.00 41.44 H new ATOM 0 HD2 ARG A 24 8.147 8.528 8.797 1.00 53.35 H new ATOM 0 HD3 ARG A 24 7.216 9.842 9.487 1.00 53.35 H new ATOM 0 HE ARG A 24 5.323 7.834 9.322 1.00 3.11 H new ATOM 0 HH11 ARG A 24 8.631 7.945 10.664 1.00 24.30 H new ATOM 0 HH12 ARG A 24 8.300 6.717 11.890 1.00 24.30 H new ATOM 0 HH21 ARG A 24 4.915 6.275 10.886 1.00 54.54 H new ATOM 0 HH22 ARG A 24 6.179 5.769 12.011 1.00 54.54 H new ATOM 434 N PHE A 25 8.148 6.165 4.497 1.00 64.32 N ATOM 435 CA PHE A 25 8.698 4.861 4.169 1.00 21.45 C ATOM 436 C PHE A 25 8.963 4.738 2.668 1.00 22.31 C ATOM 437 O PHE A 25 8.310 3.954 1.981 1.00 4.20 O ATOM 438 CB PHE A 25 7.655 3.820 4.578 1.00 21.33 C ATOM 439 CG PHE A 25 6.899 4.166 5.862 1.00 40.00 C ATOM 440 CD1 PHE A 25 7.581 4.603 6.955 1.00 62.14 C ATOM 441 CD2 PHE A 25 5.546 4.037 5.911 1.00 31.32 C ATOM 442 CE1 PHE A 25 6.880 4.926 8.147 1.00 33.12 C ATOM 443 CE2 PHE A 25 4.846 4.359 7.104 1.00 64.13 C ATOM 444 CZ PHE A 25 5.527 4.795 8.196 1.00 35.34 C ATOM 0 H PHE A 25 7.358 6.452 3.919 1.00 64.32 H new ATOM 0 HA PHE A 25 9.644 4.715 4.690 1.00 21.45 H new ATOM 0 HB2 PHE A 25 6.937 3.702 3.767 1.00 21.33 H new ATOM 0 HB3 PHE A 25 8.149 2.857 4.708 1.00 21.33 H new ATOM 0 HD1 PHE A 25 8.656 4.704 6.916 1.00 62.14 H new ATOM 0 HD2 PHE A 25 5.004 3.690 5.043 1.00 31.32 H new ATOM 0 HE1 PHE A 25 7.421 5.275 9.014 1.00 33.12 H new ATOM 0 HE2 PHE A 25 3.772 4.257 7.143 1.00 64.13 H new ATOM 0 HZ PHE A 25 4.994 5.038 9.103 1.00 35.34 H new ATOM 454 N PRO A 26 9.947 5.547 2.190 1.00 41.11 N ATOM 455 CA PRO A 26 10.306 5.536 0.782 1.00 13.25 C ATOM 456 C PRO A 26 11.115 4.287 0.430 1.00 62.02 C ATOM 457 O PRO A 26 11.024 3.777 -0.685 1.00 74.20 O ATOM 458 CB PRO A 26 11.080 6.826 0.565 1.00 14.12 C ATOM 459 CG PRO A 26 11.527 7.282 1.944 1.00 11.53 C ATOM 460 CD PRO A 26 10.741 6.488 2.974 1.00 22.31 C ATOM 0 HA PRO A 26 9.436 5.493 0.127 1.00 13.25 H new ATOM 0 HB2 PRO A 26 11.937 6.662 -0.089 1.00 14.12 H new ATOM 0 HB3 PRO A 26 10.455 7.581 0.088 1.00 14.12 H new ATOM 0 HG2 PRO A 26 12.597 7.119 2.072 1.00 11.53 H new ATOM 0 HG3 PRO A 26 11.350 8.350 2.069 1.00 11.53 H new ATOM 0 HD2 PRO A 26 11.405 5.967 3.663 1.00 22.31 H new ATOM 0 HD3 PRO A 26 10.105 7.139 3.574 1.00 22.31 H new ATOM 468 N ASN A 27 11.887 3.827 1.405 1.00 3.54 N ATOM 469 CA ASN A 27 12.712 2.646 1.212 1.00 53.31 C ATOM 470 C ASN A 27 11.893 1.398 1.549 1.00 42.04 C ATOM 471 O ASN A 27 12.442 0.303 1.664 1.00 41.30 O ATOM 472 CB ASN A 27 13.933 2.672 2.133 1.00 71.12 C ATOM 473 CG ASN A 27 14.679 4.001 2.016 1.00 53.14 C ATOM 474 OD1 ASN A 27 14.861 4.549 0.942 1.00 72.44 O ATOM 475 ND2 ASN A 27 15.103 4.488 3.180 1.00 54.31 N ATOM 0 H ASN A 27 11.958 4.251 2.330 1.00 3.54 H new ATOM 0 HA ASN A 27 13.043 2.631 0.174 1.00 53.31 H new ATOM 0 HB2 ASN A 27 13.618 2.517 3.165 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.603 1.851 1.878 1.00 71.12 H new ATOM 0 HD21 ASN A 27 15.614 5.371 3.208 1.00 54.31 H new ATOM 0 HD22 ASN A 27 14.917 3.979 4.044 1.00 54.31 H new ATOM 482 N ARG A 28 10.592 1.604 1.696 1.00 14.04 N ATOM 483 CA ARG A 28 9.691 0.509 2.015 1.00 70.34 C ATOM 484 C ARG A 28 8.871 0.120 0.784 1.00 20.11 C ATOM 485 O ARG A 28 9.077 0.661 -0.300 1.00 11.54 O ATOM 486 CB ARG A 28 8.742 0.892 3.152 1.00 32.42 C ATOM 487 CG ARG A 28 9.463 0.863 4.501 1.00 75.13 C ATOM 488 CD ARG A 28 10.147 -0.487 4.730 1.00 41.41 C ATOM 489 NE ARG A 28 9.888 -0.958 6.108 1.00 33.42 N ATOM 490 CZ ARG A 28 10.342 -0.341 7.218 1.00 25.54 C ATOM 491 NH1 ARG A 28 11.086 0.783 7.122 1.00 25.31 N ATOM 492 NH2 ARG A 28 10.051 -0.849 8.401 1.00 71.52 N ATOM 0 H ARG A 28 10.140 2.513 1.600 1.00 14.04 H new ATOM 0 HA ARG A 28 10.298 -0.339 2.333 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.338 1.888 2.973 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.897 0.204 3.172 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.205 1.661 4.538 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.749 1.054 5.303 1.00 75.13 H new ATOM 0 HD2 ARG A 28 9.777 -1.218 4.011 1.00 41.41 H new ATOM 0 HD3 ARG A 28 11.220 -0.393 4.565 1.00 41.41 H new ATOM 0 HE ARG A 28 9.330 -1.804 6.226 1.00 33.42 H new ATOM 0 HH11 ARG A 28 11.308 1.171 6.205 1.00 25.31 H new ATOM 0 HH12 ARG A 28 11.425 1.244 7.966 1.00 25.31 H new ATOM 0 HH21 ARG A 28 9.489 -1.698 8.467 1.00 71.52 H new ATOM 0 HH22 ARG A 28 10.388 -0.393 9.249 1.00 71.52 H new ATOM 506 N ILE A 29 7.957 -0.816 0.994 1.00 73.21 N ATOM 507 CA ILE A 29 7.105 -1.285 -0.086 1.00 73.02 C ATOM 508 C ILE A 29 5.718 -1.610 0.472 1.00 4.10 C ATOM 509 O ILE A 29 5.499 -2.696 1.008 1.00 71.12 O ATOM 510 CB ILE A 29 7.763 -2.454 -0.819 1.00 63.20 C ATOM 511 CG1 ILE A 29 9.114 -2.043 -1.406 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.828 -3.030 -1.883 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.937 -0.999 -2.511 1.00 4.23 C ATOM 0 H ILE A 29 7.788 -1.262 1.896 1.00 73.21 H new ATOM 0 HA ILE A 29 6.974 -0.504 -0.835 1.00 73.02 H new ATOM 0 HB ILE A 29 7.954 -3.246 -0.095 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.749 -1.639 -0.618 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.622 -2.920 -1.807 1.00 33.13 H new ATOM 0 HG21 ILE A 29 7.321 -3.860 -2.389 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.913 -3.385 -1.409 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.583 -2.256 -2.610 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.913 -0.724 -2.911 1.00 4.23 H new ATOM 0 HD12 ILE A 29 8.321 -1.414 -3.309 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.451 -0.114 -2.101 1.00 4.23 H new ATOM 525 N PRO A 30 4.792 -0.625 0.320 1.00 11.44 N ATOM 526 CA PRO A 30 3.432 -0.797 0.802 1.00 41.20 C ATOM 527 C PRO A 30 2.639 -1.730 -0.114 1.00 64.02 C ATOM 528 O PRO A 30 2.763 -1.658 -1.337 1.00 31.24 O ATOM 529 CB PRO A 30 2.856 0.608 0.862 1.00 23.13 C ATOM 530 CG PRO A 30 3.749 1.463 -0.023 1.00 14.13 C ATOM 531 CD PRO A 30 5.015 0.673 -0.310 1.00 23.23 C ATOM 0 HA PRO A 30 3.390 -1.273 1.782 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.825 0.623 0.507 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.847 0.983 1.885 1.00 23.13 H new ATOM 0 HG2 PRO A 30 3.237 1.715 -0.952 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.990 2.403 0.473 1.00 14.13 H new ATOM 0 HD2 PRO A 30 5.183 0.569 -1.382 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.893 1.168 0.104 1.00 23.23 H new ATOM 539 N VAL A 31 1.841 -2.584 0.510 1.00 35.55 N ATOM 540 CA VAL A 31 1.029 -3.531 -0.235 1.00 53.01 C ATOM 541 C VAL A 31 -0.164 -3.958 0.623 1.00 30.13 C ATOM 542 O VAL A 31 -0.055 -4.039 1.845 1.00 73.51 O ATOM 543 CB VAL A 31 1.887 -4.709 -0.697 1.00 32.41 C ATOM 544 CG1 VAL A 31 2.621 -5.347 0.484 1.00 75.34 C ATOM 545 CG2 VAL A 31 1.042 -5.746 -1.441 1.00 45.11 C ATOM 0 H VAL A 31 1.739 -2.640 1.523 1.00 35.55 H new ATOM 0 HA VAL A 31 0.631 -3.066 -1.137 1.00 53.01 H new ATOM 0 HB VAL A 31 2.635 -4.326 -1.391 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.224 -6.182 0.129 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.268 -4.606 0.954 1.00 75.34 H new ATOM 0 HG13 VAL A 31 1.894 -5.708 1.212 1.00 75.34 H new ATOM 0 HG21 VAL A 31 1.677 -6.573 -1.758 1.00 45.11 H new ATOM 0 HG22 VAL A 31 0.261 -6.121 -0.780 1.00 45.11 H new ATOM 0 HG23 VAL A 31 0.585 -5.283 -2.316 1.00 45.11 H new ATOM 555 N ILE A 32 -1.274 -4.222 -0.051 1.00 65.24 N ATOM 556 CA ILE A 32 -2.485 -4.640 0.635 1.00 51.12 C ATOM 557 C ILE A 32 -2.776 -6.103 0.300 1.00 43.11 C ATOM 558 O ILE A 32 -3.215 -6.416 -0.805 1.00 14.33 O ATOM 559 CB ILE A 32 -3.640 -3.691 0.305 1.00 11.34 C ATOM 560 CG1 ILE A 32 -3.154 -2.244 0.218 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.785 -3.854 1.308 1.00 63.41 C ATOM 562 CD1 ILE A 32 -2.816 -1.695 1.607 1.00 50.14 C ATOM 0 H ILE A 32 -1.360 -4.155 -1.065 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.352 -4.581 1.715 1.00 51.12 H new ATOM 0 HB ILE A 32 -4.031 -3.957 -0.677 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -2.274 -2.190 -0.423 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -3.923 -1.625 -0.244 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.593 -3.169 1.052 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -5.154 -4.879 1.275 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.424 -3.630 2.312 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.473 -0.664 1.517 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -3.705 -1.728 2.237 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -2.030 -2.301 2.056 1.00 50.14 H new ATOM 574 N CYS A 33 -2.518 -6.962 1.276 1.00 2.21 N ATOM 575 CA CYS A 33 -2.746 -8.386 1.099 1.00 35.42 C ATOM 576 C CYS A 33 -4.251 -8.648 1.203 1.00 3.32 C ATOM 577 O CYS A 33 -4.951 -7.969 1.953 1.00 43.20 O ATOM 578 CB CYS A 33 -1.952 -9.215 2.110 1.00 33.30 C ATOM 579 SG CYS A 33 -1.344 -10.751 1.319 1.00 13.01 S ATOM 0 H CYS A 33 -2.153 -6.699 2.192 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.391 -8.695 0.116 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -1.111 -8.634 2.489 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -2.581 -9.461 2.965 1.00 33.30 H new ATOM 0 HG CYS A 33 -0.048 -10.707 1.225 1.00 13.01 H new ATOM 585 N GLU A 34 -4.702 -9.633 0.441 1.00 15.11 N ATOM 586 CA GLU A 34 -6.109 -9.992 0.438 1.00 60.01 C ATOM 587 C GLU A 34 -6.269 -11.513 0.500 1.00 42.00 C ATOM 588 O GLU A 34 -5.297 -12.250 0.339 1.00 21.50 O ATOM 589 CB GLU A 34 -6.819 -9.416 -0.789 1.00 74.13 C ATOM 590 CG GLU A 34 -8.281 -9.089 -0.473 1.00 21.12 C ATOM 591 CD GLU A 34 -8.820 -8.018 -1.424 1.00 33.02 C ATOM 592 OE1 GLU A 34 -8.174 -6.977 -1.617 1.00 61.31 O ATOM 593 OE2 GLU A 34 -9.953 -8.298 -1.974 1.00 64.42 O ATOM 0 H GLU A 34 -4.117 -10.194 -0.179 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.576 -9.561 1.323 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -6.305 -8.514 -1.122 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -6.772 -10.131 -1.610 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -8.886 -9.992 -0.556 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -8.366 -8.742 0.557 1.00 21.12 H new ATOM 601 N LYS A 35 -7.502 -11.937 0.735 1.00 12.15 N ATOM 602 CA LYS A 35 -7.802 -13.356 0.821 1.00 74.11 C ATOM 603 C LYS A 35 -8.953 -13.688 -0.131 1.00 65.13 C ATOM 604 O LYS A 35 -10.004 -13.052 -0.085 1.00 52.34 O ATOM 605 CB LYS A 35 -8.067 -13.761 2.272 1.00 54.43 C ATOM 606 CG LYS A 35 -7.673 -15.219 2.515 1.00 11.23 C ATOM 607 CD LYS A 35 -8.731 -16.173 1.954 1.00 11.40 C ATOM 608 CE LYS A 35 -9.888 -16.349 2.940 1.00 71.14 C ATOM 609 NZ LYS A 35 -11.007 -15.444 2.591 1.00 23.43 N ATOM 0 H LYS A 35 -8.305 -11.323 0.869 1.00 12.15 H new ATOM 0 HA LYS A 35 -6.943 -13.947 0.502 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.504 -13.112 2.943 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -9.123 -13.622 2.505 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -6.710 -15.422 2.047 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -7.551 -15.393 3.584 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -9.110 -15.786 1.008 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -8.277 -17.141 1.743 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -10.231 -17.384 2.927 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -9.545 -16.140 3.953 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -11.228 -14.835 3.405 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -10.735 -14.852 1.780 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -11.845 -16.008 2.343 1.00 23.43 H new ATOM 623 N ALA A 36 -8.715 -14.684 -0.972 1.00 44.15 N ATOM 624 CA ALA A 36 -9.719 -15.109 -1.933 1.00 42.21 C ATOM 625 C ALA A 36 -10.816 -15.890 -1.206 1.00 35.03 C ATOM 626 O ALA A 36 -10.525 -16.748 -0.376 1.00 61.54 O ATOM 627 CB ALA A 36 -9.053 -15.931 -3.038 1.00 55.13 C ATOM 0 H ALA A 36 -7.841 -15.209 -1.008 1.00 44.15 H new ATOM 0 HA ALA A 36 -10.187 -14.246 -2.406 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -9.806 -16.250 -3.759 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -8.303 -15.322 -3.542 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.575 -16.808 -2.601 1.00 55.13 H new ATOM 633 N GLU A 37 -12.054 -15.563 -1.546 1.00 33.15 N ATOM 634 CA GLU A 37 -13.196 -16.223 -0.936 1.00 72.10 C ATOM 635 C GLU A 37 -13.215 -17.706 -1.311 1.00 21.01 C ATOM 636 O GLU A 37 -13.299 -18.571 -0.440 1.00 64.00 O ATOM 637 CB GLU A 37 -14.505 -15.540 -1.340 1.00 2.12 C ATOM 638 CG GLU A 37 -14.761 -15.689 -2.840 1.00 54.13 C ATOM 639 CD GLU A 37 -15.884 -14.756 -3.300 1.00 3.31 C ATOM 640 OE1 GLU A 37 -15.681 -13.535 -3.379 1.00 60.30 O ATOM 641 OE2 GLU A 37 -16.998 -15.341 -3.580 1.00 23.54 O ATOM 0 H GLU A 37 -12.291 -14.850 -2.236 1.00 33.15 H new ATOM 0 HA GLU A 37 -13.101 -16.142 0.147 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -15.334 -15.975 -0.781 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -14.464 -14.483 -1.078 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -13.848 -15.465 -3.392 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -15.026 -16.722 -3.067 1.00 54.13 H new ATOM 649 N LYS A 38 -13.134 -17.957 -2.611 1.00 32.50 N ATOM 650 CA LYS A 38 -13.141 -19.320 -3.112 1.00 70.13 C ATOM 651 C LYS A 38 -12.262 -20.194 -2.213 1.00 34.33 C ATOM 652 O LYS A 38 -12.579 -21.357 -1.970 1.00 61.34 O ATOM 653 CB LYS A 38 -12.735 -19.352 -4.587 1.00 31.21 C ATOM 654 CG LYS A 38 -13.519 -18.315 -5.393 1.00 30.31 C ATOM 655 CD LYS A 38 -13.545 -18.681 -6.879 1.00 62.11 C ATOM 656 CE LYS A 38 -13.960 -17.482 -7.732 1.00 24.23 C ATOM 657 NZ LYS A 38 -14.292 -17.914 -9.108 1.00 2.33 N ATOM 0 H LYS A 38 -13.063 -17.238 -3.331 1.00 32.50 H new ATOM 0 HA LYS A 38 -14.149 -19.734 -3.074 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -11.666 -19.157 -4.678 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.914 -20.347 -4.996 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -14.539 -18.249 -5.013 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -13.067 -17.332 -5.265 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -12.559 -19.028 -7.189 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -14.239 -19.505 -7.042 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -14.821 -16.989 -7.282 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -13.152 -16.751 -7.759 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -14.572 -17.087 -9.673 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -13.460 -18.364 -9.541 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -15.078 -18.595 -9.078 1.00 2.33 H new ATOM 671 N SER A 39 -11.175 -19.599 -1.745 1.00 31.52 N ATOM 672 CA SER A 39 -10.248 -20.308 -0.879 1.00 23.13 C ATOM 673 C SER A 39 -10.994 -20.883 0.327 1.00 61.22 C ATOM 674 O SER A 39 -12.162 -20.563 0.550 1.00 52.33 O ATOM 675 CB SER A 39 -9.117 -19.389 -0.413 1.00 23.31 C ATOM 676 OG SER A 39 -7.883 -20.088 -0.277 1.00 4.43 O ATOM 0 H SER A 39 -10.915 -18.634 -1.949 1.00 31.52 H new ATOM 0 HA SER A 39 -9.805 -21.125 -1.449 1.00 23.13 H new ATOM 0 HB2 SER A 39 -8.995 -18.574 -1.126 1.00 23.31 H new ATOM 0 HB3 SER A 39 -9.386 -18.939 0.543 1.00 23.31 H new ATOM 0 HG SER A 39 -7.401 -20.069 -1.130 1.00 4.43 H new ATOM 682 N ASP A 40 -10.291 -21.722 1.073 1.00 65.12 N ATOM 683 CA ASP A 40 -10.872 -22.345 2.250 1.00 2.54 C ATOM 684 C ASP A 40 -10.009 -22.024 3.471 1.00 55.42 C ATOM 685 O ASP A 40 -10.159 -22.643 4.523 1.00 54.00 O ATOM 686 CB ASP A 40 -10.927 -23.867 2.097 1.00 11.34 C ATOM 687 CG ASP A 40 -12.077 -24.388 1.232 1.00 55.40 C ATOM 688 OD1 ASP A 40 -13.015 -25.024 1.733 1.00 20.22 O ATOM 689 OD2 ASP A 40 -11.981 -24.114 -0.025 1.00 14.32 O ATOM 0 H ASP A 40 -9.324 -21.985 0.885 1.00 65.12 H new ATOM 0 HA ASP A 40 -11.883 -21.957 2.372 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -9.985 -24.208 1.667 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -11.006 -24.314 3.088 1.00 11.34 H new ATOM 695 N ILE A 41 -9.121 -21.055 3.290 1.00 65.22 N ATOM 696 CA ILE A 41 -8.234 -20.645 4.364 1.00 75.43 C ATOM 697 C ILE A 41 -8.909 -19.543 5.185 1.00 34.44 C ATOM 698 O ILE A 41 -9.901 -18.961 4.751 1.00 24.44 O ATOM 699 CB ILE A 41 -6.866 -20.244 3.806 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.787 -18.734 3.581 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.543 -21.032 2.534 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.703 -18.387 2.557 1.00 2.30 C ATOM 0 H ILE A 41 -8.998 -20.544 2.416 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.046 -21.478 5.041 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.106 -20.498 4.545 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.752 -18.364 3.234 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.574 -18.233 4.525 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.566 -20.729 2.157 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.530 -22.098 2.760 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.302 -20.830 1.778 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.668 -17.307 2.416 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.736 -18.737 2.918 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -5.932 -18.870 1.607 1.00 2.30 H new ATOM 714 N PRO A 42 -8.329 -19.286 6.387 1.00 50.44 N ATOM 715 CA PRO A 42 -8.863 -18.266 7.273 1.00 24.42 C ATOM 716 C PRO A 42 -8.516 -16.863 6.766 1.00 24.50 C ATOM 717 O PRO A 42 -7.360 -16.579 6.458 1.00 43.12 O ATOM 718 CB PRO A 42 -8.260 -18.570 8.634 1.00 64.40 C ATOM 719 CG PRO A 42 -7.055 -19.459 8.367 1.00 30.21 C ATOM 720 CD PRO A 42 -7.151 -19.957 6.934 1.00 32.44 C ATOM 0 HA PRO A 42 -9.952 -18.281 7.323 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -7.964 -17.653 9.144 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -8.982 -19.073 9.277 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -6.130 -18.903 8.517 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -7.038 -20.298 9.062 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.254 -19.708 6.367 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.260 -21.041 6.898 1.00 32.44 H new ATOM 728 N GLU A 43 -9.539 -16.025 6.695 1.00 42.44 N ATOM 729 CA GLU A 43 -9.358 -14.659 6.232 1.00 50.22 C ATOM 730 C GLU A 43 -8.398 -13.908 7.158 1.00 11.31 C ATOM 731 O GLU A 43 -8.253 -14.262 8.327 1.00 21.42 O ATOM 732 CB GLU A 43 -10.701 -13.933 6.128 1.00 1.13 C ATOM 733 CG GLU A 43 -10.555 -12.621 5.353 1.00 32.10 C ATOM 734 CD GLU A 43 -11.915 -12.123 4.860 1.00 74.43 C ATOM 735 OE1 GLU A 43 -12.567 -11.321 5.545 1.00 70.25 O ATOM 736 OE2 GLU A 43 -12.288 -12.597 3.719 1.00 12.44 O ATOM 0 H GLU A 43 -10.497 -16.265 6.950 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.921 -14.689 5.234 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -11.428 -14.575 5.630 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -11.087 -13.729 7.127 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -10.097 -11.866 5.992 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -9.888 -12.768 4.504 1.00 32.10 H new ATOM 744 N ILE A 44 -7.770 -12.884 6.600 1.00 60.22 N ATOM 745 CA ILE A 44 -6.828 -12.080 7.360 1.00 23.32 C ATOM 746 C ILE A 44 -7.599 -11.067 8.209 1.00 4.52 C ATOM 747 O ILE A 44 -8.749 -10.747 7.907 1.00 3.42 O ATOM 748 CB ILE A 44 -5.794 -11.442 6.430 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.709 -10.721 7.229 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.467 -10.518 5.413 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.750 -9.971 6.302 1.00 33.21 C ATOM 0 H ILE A 44 -7.895 -12.592 5.631 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.260 -12.707 8.047 1.00 23.32 H new ATOM 0 HB ILE A 44 -5.304 -12.237 5.868 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -5.170 -10.020 7.925 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.152 -11.443 7.826 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.710 -10.078 4.765 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -7.171 -11.092 4.811 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -7.000 -9.726 5.938 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.988 -9.467 6.897 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -3.272 -10.678 5.624 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -4.306 -9.233 5.724 1.00 33.21 H new ATOM 763 N ASP A 45 -6.937 -10.591 9.252 1.00 33.03 N ATOM 764 CA ASP A 45 -7.546 -9.620 10.147 1.00 71.14 C ATOM 765 C ASP A 45 -7.772 -8.310 9.391 1.00 0.43 C ATOM 766 O ASP A 45 -8.851 -7.723 9.469 1.00 74.13 O ATOM 767 CB ASP A 45 -6.637 -9.326 11.341 1.00 41.02 C ATOM 768 CG ASP A 45 -6.704 -10.352 12.474 1.00 61.43 C ATOM 769 OD1 ASP A 45 -6.303 -11.514 12.308 1.00 63.25 O ATOM 770 OD2 ASP A 45 -7.200 -9.912 13.580 1.00 2.34 O ATOM 0 H ASP A 45 -5.984 -10.859 9.499 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.488 -10.035 10.505 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -5.608 -9.264 10.988 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -6.896 -8.346 11.743 1.00 41.02 H new ATOM 776 N LYS A 46 -6.738 -7.887 8.677 1.00 54.04 N ATOM 777 CA LYS A 46 -6.812 -6.657 7.909 1.00 51.14 C ATOM 778 C LYS A 46 -5.913 -6.777 6.676 1.00 4.32 C ATOM 779 O LYS A 46 -5.142 -7.727 6.555 1.00 25.51 O ATOM 780 CB LYS A 46 -6.485 -5.452 8.793 1.00 35.22 C ATOM 781 CG LYS A 46 -5.485 -5.833 9.889 1.00 72.31 C ATOM 782 CD LYS A 46 -4.178 -6.347 9.284 1.00 10.44 C ATOM 783 CE LYS A 46 -3.285 -6.969 10.358 1.00 5.34 C ATOM 784 NZ LYS A 46 -2.688 -5.917 11.210 1.00 3.44 N ATOM 0 H LYS A 46 -5.845 -8.375 8.615 1.00 54.04 H new ATOM 0 HA LYS A 46 -7.828 -6.493 7.550 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -6.073 -4.649 8.182 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.400 -5.070 9.247 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -5.282 -4.967 10.519 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -5.919 -6.599 10.531 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -4.396 -7.087 8.514 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -3.651 -5.526 8.798 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -3.869 -7.655 10.972 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -2.496 -7.556 9.888 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -2.085 -6.357 11.934 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -2.114 -5.279 10.623 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -3.445 -5.375 11.673 1.00 3.44 H new ATOM 798 N ARG A 47 -6.044 -5.800 5.791 1.00 22.33 N ATOM 799 CA ARG A 47 -5.252 -5.783 4.573 1.00 73.31 C ATOM 800 C ARG A 47 -4.294 -4.590 4.577 1.00 10.15 C ATOM 801 O ARG A 47 -4.665 -3.490 4.168 1.00 4.24 O ATOM 802 CB ARG A 47 -6.151 -5.702 3.335 1.00 1.04 C ATOM 803 CG ARG A 47 -7.319 -6.685 3.441 1.00 52.44 C ATOM 804 CD ARG A 47 -8.548 -6.157 2.699 1.00 32.42 C ATOM 805 NE ARG A 47 -9.280 -7.278 2.069 1.00 24.35 N ATOM 806 CZ ARG A 47 -10.092 -7.147 0.998 1.00 51.53 C ATOM 807 NH1 ARG A 47 -10.283 -5.939 0.428 1.00 63.21 N ATOM 808 NH2 ARG A 47 -10.696 -8.218 0.518 1.00 1.01 N ATOM 0 H ARG A 47 -6.687 -5.015 5.893 1.00 22.33 H new ATOM 0 HA ARG A 47 -4.681 -6.710 4.536 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -6.534 -4.687 3.225 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -5.566 -5.921 2.442 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -7.026 -7.650 3.027 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -7.566 -6.850 4.490 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -9.202 -5.629 3.392 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -8.243 -5.438 1.939 1.00 32.42 H new ATOM 0 HE ARG A 47 -9.164 -8.209 2.469 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -9.812 -5.117 0.806 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -10.898 -5.848 -0.381 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -10.546 -9.127 0.956 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -11.313 -8.136 -0.290 1.00 1.01 H new ATOM 822 N LYS A 48 -3.082 -4.847 5.042 1.00 32.22 N ATOM 823 CA LYS A 48 -2.067 -3.809 5.104 1.00 13.13 C ATOM 824 C LYS A 48 -0.710 -4.447 5.412 1.00 65.41 C ATOM 825 O LYS A 48 -0.530 -5.055 6.467 1.00 32.21 O ATOM 826 CB LYS A 48 -2.476 -2.721 6.100 1.00 2.52 C ATOM 827 CG LYS A 48 -1.250 -1.973 6.627 1.00 31.03 C ATOM 828 CD LYS A 48 -0.404 -1.425 5.475 1.00 5.15 C ATOM 829 CE LYS A 48 -0.852 -0.013 5.089 1.00 62.34 C ATOM 830 NZ LYS A 48 -1.490 -0.020 3.753 1.00 61.43 N ATOM 0 H LYS A 48 -2.779 -5.760 5.380 1.00 32.22 H new ATOM 0 HA LYS A 48 -1.973 -3.308 4.140 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.156 -2.018 5.618 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -3.018 -3.170 6.932 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -1.569 -1.153 7.271 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -0.646 -2.643 7.239 1.00 31.03 H new ATOM 0 HD2 LYS A 48 0.647 -1.410 5.765 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -0.487 -2.085 4.612 1.00 5.15 H new ATOM 0 HE2 LYS A 48 -1.553 0.369 5.832 1.00 62.34 H new ATOM 0 HE3 LYS A 48 0.006 0.659 5.086 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 -1.406 0.923 3.323 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 -1.018 -0.720 3.146 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 -2.495 -0.268 3.850 1.00 61.43 H new ATOM 844 N TYR A 49 0.209 -4.284 4.473 1.00 55.14 N ATOM 845 CA TYR A 49 1.545 -4.835 4.630 1.00 61.12 C ATOM 846 C TYR A 49 2.604 -3.870 4.093 1.00 45.23 C ATOM 847 O TYR A 49 2.567 -3.491 2.923 1.00 72.34 O ATOM 848 CB TYR A 49 1.572 -6.119 3.798 1.00 0.44 C ATOM 849 CG TYR A 49 0.906 -7.316 4.478 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.465 -7.472 4.411 1.00 4.35 C ATOM 851 CD2 TYR A 49 1.673 -8.240 5.158 1.00 44.50 C ATOM 852 CE1 TYR A 49 -1.093 -8.599 5.052 1.00 40.03 C ATOM 853 CE2 TYR A 49 1.044 -9.366 5.797 1.00 10.22 C ATOM 854 CZ TYR A 49 -0.307 -9.491 5.713 1.00 11.31 C ATOM 855 OH TYR A 49 -0.900 -10.555 6.318 1.00 30.03 O ATOM 0 H TYR A 49 0.056 -3.778 3.600 1.00 55.14 H new ATOM 0 HA TYR A 49 1.765 -5.014 5.682 1.00 61.12 H new ATOM 0 HB2 TYR A 49 1.076 -5.933 2.846 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.608 -6.372 3.573 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.066 -6.750 3.878 1.00 4.35 H new ATOM 0 HD2 TYR A 49 2.745 -8.118 5.211 1.00 44.50 H new ATOM 0 HE1 TYR A 49 -2.164 -8.733 5.009 1.00 40.03 H new ATOM 0 HE2 TYR A 49 1.633 -10.096 6.332 1.00 10.22 H new ATOM 0 HH TYR A 49 -0.238 -11.265 6.454 1.00 30.03 H new ATOM 865 N LEU A 50 3.523 -3.500 4.973 1.00 74.33 N ATOM 866 CA LEU A 50 4.589 -2.586 4.601 1.00 43.30 C ATOM 867 C LEU A 50 5.917 -3.344 4.570 1.00 30.44 C ATOM 868 O LEU A 50 6.726 -3.224 5.489 1.00 14.21 O ATOM 869 CB LEU A 50 4.599 -1.368 5.527 1.00 73.54 C ATOM 870 CG LEU A 50 3.452 -0.372 5.337 1.00 22.24 C ATOM 871 CD1 LEU A 50 3.838 1.014 5.856 1.00 24.21 C ATOM 872 CD2 LEU A 50 2.998 -0.330 3.876 1.00 4.24 C ATOM 0 H LEU A 50 3.551 -3.817 5.942 1.00 74.33 H new ATOM 0 HA LEU A 50 4.421 -2.194 3.598 1.00 43.30 H new ATOM 0 HB2 LEU A 50 4.581 -1.720 6.558 1.00 73.54 H new ATOM 0 HB3 LEU A 50 5.541 -0.838 5.388 1.00 73.54 H new ATOM 0 HG LEU A 50 2.603 -0.713 5.929 1.00 22.24 H new ATOM 0 HD11 LEU A 50 3.006 1.702 5.709 1.00 24.21 H new ATOM 0 HD12 LEU A 50 4.074 0.952 6.918 1.00 24.21 H new ATOM 0 HD13 LEU A 50 4.709 1.377 5.311 1.00 24.21 H new ATOM 0 HD21 LEU A 50 2.182 0.385 3.769 1.00 4.24 H new ATOM 0 HD22 LEU A 50 3.833 -0.026 3.244 1.00 4.24 H new ATOM 0 HD23 LEU A 50 2.655 -1.319 3.573 1.00 4.24 H new ATOM 884 N VAL A 51 6.100 -4.110 3.504 1.00 34.04 N ATOM 885 CA VAL A 51 7.316 -4.888 3.341 1.00 63.40 C ATOM 886 C VAL A 51 8.424 -3.987 2.794 1.00 40.31 C ATOM 887 O VAL A 51 8.147 -2.985 2.136 1.00 53.13 O ATOM 888 CB VAL A 51 7.044 -6.106 2.455 1.00 5.34 C ATOM 889 CG1 VAL A 51 6.074 -7.073 3.136 1.00 22.24 C ATOM 890 CG2 VAL A 51 6.520 -5.677 1.082 1.00 42.33 C ATOM 0 H VAL A 51 5.426 -4.208 2.745 1.00 34.04 H new ATOM 0 HA VAL A 51 7.655 -5.272 4.303 1.00 63.40 H new ATOM 0 HB VAL A 51 7.988 -6.630 2.305 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.898 -7.930 2.486 1.00 22.24 H new ATOM 0 HG12 VAL A 51 6.503 -7.415 4.078 1.00 22.24 H new ATOM 0 HG13 VAL A 51 5.130 -6.564 3.330 1.00 22.24 H new ATOM 0 HG21 VAL A 51 6.334 -6.560 0.471 1.00 42.33 H new ATOM 0 HG22 VAL A 51 5.592 -5.119 1.205 1.00 42.33 H new ATOM 0 HG23 VAL A 51 7.260 -5.045 0.591 1.00 42.33 H new ATOM 900 N PRO A 52 9.690 -4.384 3.093 1.00 31.35 N ATOM 901 CA PRO A 52 10.841 -3.624 2.640 1.00 52.22 C ATOM 902 C PRO A 52 11.088 -3.843 1.146 1.00 45.42 C ATOM 903 O PRO A 52 10.427 -4.669 0.517 1.00 24.12 O ATOM 904 CB PRO A 52 11.995 -4.100 3.509 1.00 72.44 C ATOM 905 CG PRO A 52 11.553 -5.431 4.095 1.00 72.05 C ATOM 906 CD PRO A 52 10.057 -5.566 3.870 1.00 62.34 C ATOM 0 HA PRO A 52 10.701 -2.548 2.742 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.905 -4.215 2.921 1.00 72.44 H new ATOM 0 HB3 PRO A 52 12.214 -3.379 4.297 1.00 72.44 H new ATOM 0 HG2 PRO A 52 12.086 -6.254 3.619 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.784 -5.475 5.159 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.819 -6.483 3.332 1.00 62.34 H new ATOM 0 HD3 PRO A 52 9.516 -5.602 4.816 1.00 62.34 H new ATOM 914 N ALA A 53 12.044 -3.090 0.620 1.00 53.20 N ATOM 915 CA ALA A 53 12.386 -3.192 -0.788 1.00 13.10 C ATOM 916 C ALA A 53 13.422 -4.302 -0.978 1.00 64.41 C ATOM 917 O ALA A 53 14.100 -4.354 -2.003 1.00 65.24 O ATOM 918 CB ALA A 53 12.885 -1.836 -1.292 1.00 72.45 C ATOM 0 H ALA A 53 12.592 -2.407 1.144 1.00 53.20 H new ATOM 0 HA ALA A 53 11.508 -3.456 -1.378 1.00 13.10 H new ATOM 0 HB1 ALA A 53 13.142 -1.913 -2.349 1.00 72.45 H new ATOM 0 HB2 ALA A 53 12.102 -1.089 -1.162 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.767 -1.539 -0.725 1.00 72.45 H new ATOM 924 N ASP A 54 13.513 -5.160 0.027 1.00 11.31 N ATOM 925 CA ASP A 54 14.456 -6.265 -0.016 1.00 24.43 C ATOM 926 C ASP A 54 13.689 -7.588 0.070 1.00 24.43 C ATOM 927 O ASP A 54 14.050 -8.562 -0.588 1.00 72.41 O ATOM 928 CB ASP A 54 15.428 -6.205 1.163 1.00 32.13 C ATOM 929 CG ASP A 54 16.379 -5.007 1.156 1.00 4.14 C ATOM 930 OD1 ASP A 54 17.231 -4.872 0.265 1.00 20.21 O ATOM 931 OD2 ASP A 54 16.218 -4.178 2.132 1.00 61.44 O ATOM 0 H ASP A 54 12.950 -5.113 0.876 1.00 11.31 H new ATOM 0 HA ASP A 54 15.016 -6.195 -0.949 1.00 24.43 H new ATOM 0 HB2 ASP A 54 14.852 -6.188 2.088 1.00 32.13 H new ATOM 0 HB3 ASP A 54 16.020 -7.120 1.173 1.00 32.13 H new ATOM 937 N LEU A 55 12.645 -7.577 0.885 1.00 53.33 N ATOM 938 CA LEU A 55 11.826 -8.762 1.066 1.00 33.10 C ATOM 939 C LEU A 55 11.251 -9.190 -0.287 1.00 55.22 C ATOM 940 O LEU A 55 10.799 -8.353 -1.066 1.00 73.35 O ATOM 941 CB LEU A 55 10.761 -8.519 2.136 1.00 22.25 C ATOM 942 CG LEU A 55 10.210 -9.766 2.833 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.691 -9.841 4.283 1.00 33.21 C ATOM 944 CD2 LEU A 55 8.685 -9.825 2.730 1.00 41.11 C ATOM 0 H LEU A 55 12.348 -6.766 1.427 1.00 53.33 H new ATOM 0 HA LEU A 55 12.431 -9.591 1.434 1.00 33.10 H new ATOM 0 HB2 LEU A 55 11.181 -7.859 2.895 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.928 -7.986 1.677 1.00 22.25 H new ATOM 0 HG LEU A 55 10.600 -10.644 2.319 1.00 42.04 H new ATOM 0 HD11 LEU A 55 10.285 -10.736 4.755 1.00 33.21 H new ATOM 0 HD12 LEU A 55 11.780 -9.882 4.303 1.00 33.21 H new ATOM 0 HD13 LEU A 55 10.351 -8.959 4.825 1.00 33.21 H new ATOM 0 HD21 LEU A 55 8.321 -10.721 3.233 1.00 41.11 H new ATOM 0 HD22 LEU A 55 8.254 -8.942 3.203 1.00 41.11 H new ATOM 0 HD23 LEU A 55 8.392 -9.854 1.681 1.00 41.11 H new ATOM 956 N THR A 56 11.287 -10.494 -0.523 1.00 33.54 N ATOM 957 CA THR A 56 10.776 -11.044 -1.767 1.00 20.24 C ATOM 958 C THR A 56 9.344 -11.545 -1.580 1.00 22.22 C ATOM 959 O THR A 56 8.759 -11.381 -0.510 1.00 33.44 O ATOM 960 CB THR A 56 11.745 -12.130 -2.236 1.00 3.12 C ATOM 961 OG1 THR A 56 11.289 -13.310 -1.579 1.00 4.55 O ATOM 962 CG2 THR A 56 13.162 -11.927 -1.695 1.00 24.15 C ATOM 0 H THR A 56 11.662 -11.185 0.127 1.00 33.54 H new ATOM 0 HA THR A 56 10.720 -10.281 -2.544 1.00 20.24 H new ATOM 0 HB THR A 56 11.772 -12.145 -3.326 1.00 3.12 H new ATOM 0 HG1 THR A 56 11.861 -14.065 -1.829 1.00 4.55 H new ATOM 0 HG21 THR A 56 13.808 -12.726 -2.059 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.547 -10.966 -2.035 1.00 24.15 H new ATOM 0 HG23 THR A 56 13.141 -11.945 -0.605 1.00 24.15 H new ATOM 970 N VAL A 57 8.818 -12.148 -2.636 1.00 60.44 N ATOM 971 CA VAL A 57 7.465 -12.675 -2.602 1.00 24.01 C ATOM 972 C VAL A 57 7.425 -13.905 -1.692 1.00 24.23 C ATOM 973 O VAL A 57 6.477 -14.086 -0.929 1.00 23.23 O ATOM 974 CB VAL A 57 6.981 -12.968 -4.023 1.00 35.30 C ATOM 975 CG1 VAL A 57 5.920 -14.069 -4.026 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.453 -11.698 -4.696 1.00 3.30 C ATOM 0 H VAL A 57 9.306 -12.283 -3.522 1.00 60.44 H new ATOM 0 HA VAL A 57 6.779 -11.938 -2.185 1.00 24.01 H new ATOM 0 HB VAL A 57 7.835 -13.324 -4.599 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.594 -14.257 -5.049 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.342 -14.982 -3.606 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.067 -13.754 -3.425 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.115 -11.934 -5.705 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.619 -11.300 -4.118 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.248 -10.954 -4.745 1.00 3.30 H new ATOM 986 N GLY A 58 8.465 -14.718 -1.803 1.00 11.12 N ATOM 987 CA GLY A 58 8.560 -15.925 -1.001 1.00 42.23 C ATOM 988 C GLY A 58 8.721 -15.587 0.483 1.00 73.23 C ATOM 989 O GLY A 58 8.241 -16.319 1.347 1.00 60.02 O ATOM 0 H GLY A 58 9.249 -14.564 -2.437 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.666 -16.532 -1.144 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.408 -16.522 -1.336 1.00 42.23 H new ATOM 993 N GLN A 59 9.396 -14.474 0.733 1.00 64.11 N ATOM 994 CA GLN A 59 9.626 -14.029 2.097 1.00 61.51 C ATOM 995 C GLN A 59 8.361 -13.381 2.664 1.00 64.21 C ATOM 996 O GLN A 59 8.174 -13.334 3.879 1.00 44.31 O ATOM 997 CB GLN A 59 10.814 -13.066 2.167 1.00 30.41 C ATOM 998 CG GLN A 59 12.140 -13.828 2.127 1.00 65.32 C ATOM 999 CD GLN A 59 13.253 -13.026 2.802 1.00 74.31 C ATOM 1000 OE1 GLN A 59 14.283 -12.730 2.217 1.00 74.53 O ATOM 1001 NE2 GLN A 59 12.992 -12.690 4.061 1.00 1.14 N ATOM 0 H GLN A 59 9.791 -13.868 0.014 1.00 64.11 H new ATOM 0 HA GLN A 59 9.870 -14.899 2.706 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.768 -12.365 1.334 1.00 30.41 H new ATOM 0 HB3 GLN A 59 10.756 -12.477 3.083 1.00 30.41 H new ATOM 0 HG2 GLN A 59 12.026 -14.790 2.626 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.413 -14.036 1.092 1.00 65.32 H new ATOM 0 HE21 GLN A 59 12.110 -12.969 4.491 1.00 1.14 H new ATOM 0 HE22 GLN A 59 13.673 -12.153 4.597 1.00 1.14 H new ATOM 1010 N PHE A 60 7.526 -12.896 1.757 1.00 0.21 N ATOM 1011 CA PHE A 60 6.284 -12.253 2.152 1.00 52.15 C ATOM 1012 C PHE A 60 5.232 -13.289 2.552 1.00 43.15 C ATOM 1013 O PHE A 60 4.525 -13.111 3.542 1.00 50.40 O ATOM 1014 CB PHE A 60 5.778 -11.473 0.937 1.00 50.40 C ATOM 1015 CG PHE A 60 4.503 -10.670 1.199 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.466 -9.764 2.213 1.00 51.21 C ATOM 1017 CD2 PHE A 60 3.406 -10.862 0.419 1.00 61.34 C ATOM 1018 CE1 PHE A 60 3.283 -9.018 2.456 1.00 1.22 C ATOM 1019 CE2 PHE A 60 2.222 -10.116 0.662 1.00 62.21 C ATOM 1020 CZ PHE A 60 2.186 -9.210 1.676 1.00 23.01 C ATOM 0 H PHE A 60 7.685 -12.935 0.750 1.00 0.21 H new ATOM 0 HA PHE A 60 6.459 -11.603 3.009 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.561 -10.792 0.603 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.594 -12.172 0.121 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.337 -9.612 2.833 1.00 51.21 H new ATOM 0 HD2 PHE A 60 3.435 -11.582 -0.386 1.00 61.34 H new ATOM 0 HE1 PHE A 60 3.254 -8.298 3.260 1.00 1.22 H new ATOM 0 HE2 PHE A 60 1.351 -10.268 0.042 1.00 62.21 H new ATOM 0 HZ PHE A 60 1.286 -8.643 1.862 1.00 23.01 H new ATOM 1030 N VAL A 61 5.162 -14.350 1.760 1.00 32.35 N ATOM 1031 CA VAL A 61 4.208 -15.415 2.019 1.00 5.44 C ATOM 1032 C VAL A 61 4.373 -15.901 3.461 1.00 71.34 C ATOM 1033 O VAL A 61 3.396 -16.278 4.108 1.00 5.54 O ATOM 1034 CB VAL A 61 4.379 -16.533 0.988 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.391 -17.671 1.245 1.00 42.22 C ATOM 1036 CG2 VAL A 61 4.234 -15.991 -0.436 1.00 73.01 C ATOM 0 H VAL A 61 5.750 -14.494 0.939 1.00 32.35 H new ATOM 0 HA VAL A 61 3.187 -15.048 1.914 1.00 5.44 H new ATOM 0 HB VAL A 61 5.387 -16.935 1.093 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.534 -18.452 0.498 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.562 -18.084 2.239 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.372 -17.290 1.181 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.360 -16.805 -1.150 1.00 73.01 H new ATOM 0 HG22 VAL A 61 3.245 -15.550 -0.559 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.994 -15.231 -0.615 1.00 73.01 H new ATOM 1046 N TYR A 62 5.615 -15.879 3.921 1.00 14.20 N ATOM 1047 CA TYR A 62 5.920 -16.313 5.273 1.00 74.54 C ATOM 1048 C TYR A 62 5.129 -15.501 6.301 1.00 34.14 C ATOM 1049 O TYR A 62 4.670 -16.043 7.307 1.00 35.32 O ATOM 1050 CB TYR A 62 7.414 -16.049 5.474 1.00 44.14 C ATOM 1051 CG TYR A 62 7.788 -15.647 6.902 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.531 -16.506 7.951 1.00 62.34 C ATOM 1053 CD2 TYR A 62 8.383 -14.425 7.140 1.00 22.21 C ATOM 1054 CE1 TYR A 62 7.885 -16.126 9.295 1.00 24.35 C ATOM 1055 CE2 TYR A 62 8.736 -14.045 8.483 1.00 24.10 C ATOM 1056 CZ TYR A 62 8.470 -14.915 9.495 1.00 2.21 C ATOM 1057 OH TYR A 62 8.802 -14.556 10.763 1.00 63.13 O ATOM 0 H TYR A 62 6.422 -15.567 3.381 1.00 14.20 H new ATOM 0 HA TYR A 62 5.659 -17.363 5.407 1.00 74.54 H new ATOM 0 HB2 TYR A 62 7.971 -16.946 5.202 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.728 -15.260 4.791 1.00 44.14 H new ATOM 0 HD1 TYR A 62 7.065 -17.462 7.765 1.00 62.34 H new ATOM 0 HD2 TYR A 62 8.584 -13.753 6.318 1.00 22.21 H new ATOM 0 HE1 TYR A 62 7.690 -16.789 10.125 1.00 24.35 H new ATOM 0 HE2 TYR A 62 9.201 -13.091 8.683 1.00 24.10 H new ATOM 0 HH TYR A 62 9.213 -13.666 10.754 1.00 63.13 H new ATOM 1067 N VAL A 63 4.994 -14.214 6.014 1.00 52.24 N ATOM 1068 CA VAL A 63 4.266 -13.322 6.902 1.00 35.03 C ATOM 1069 C VAL A 63 2.765 -13.580 6.758 1.00 4.02 C ATOM 1070 O VAL A 63 2.048 -13.665 7.754 1.00 23.34 O ATOM 1071 CB VAL A 63 4.654 -11.869 6.616 1.00 11.21 C ATOM 1072 CG1 VAL A 63 3.752 -10.901 7.382 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.128 -11.621 6.941 1.00 44.31 C ATOM 0 H VAL A 63 5.376 -13.768 5.180 1.00 52.24 H new ATOM 0 HA VAL A 63 4.531 -13.517 7.941 1.00 35.03 H new ATOM 0 HB VAL A 63 4.512 -11.687 5.551 1.00 11.21 H new ATOM 0 HG11 VAL A 63 4.049 -9.876 7.161 1.00 65.32 H new ATOM 0 HG12 VAL A 63 2.716 -11.052 7.079 1.00 65.32 H new ATOM 0 HG13 VAL A 63 3.848 -11.084 8.452 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.377 -10.581 6.729 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.308 -11.829 7.996 1.00 44.31 H new ATOM 0 HG23 VAL A 63 6.750 -12.275 6.330 1.00 44.31 H new ATOM 1083 N ILE A 64 2.334 -13.696 5.510 1.00 25.51 N ATOM 1084 CA ILE A 64 0.931 -13.942 5.223 1.00 30.30 C ATOM 1085 C ILE A 64 0.507 -15.264 5.865 1.00 3.31 C ATOM 1086 O ILE A 64 -0.636 -15.414 6.293 1.00 53.34 O ATOM 1087 CB ILE A 64 0.672 -13.880 3.717 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.345 -12.652 3.096 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.826 -13.927 3.414 1.00 22.42 C ATOM 1090 CD1 ILE A 64 1.112 -11.408 3.955 1.00 35.01 C ATOM 0 H ILE A 64 2.932 -13.624 4.687 1.00 25.51 H new ATOM 0 HA ILE A 64 0.311 -13.160 5.662 1.00 30.30 H new ATOM 0 HB ILE A 64 1.120 -14.761 3.257 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.415 -12.832 2.993 1.00 52.44 H new ATOM 0 HG13 ILE A 64 0.952 -12.485 2.093 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -0.981 -13.881 2.336 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -1.247 -14.855 3.802 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.320 -13.079 3.888 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.600 -10.550 3.493 1.00 35.01 H new ATOM 0 HD12 ILE A 64 0.042 -11.217 4.036 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.528 -11.569 4.949 1.00 35.01 H new ATOM 1102 N ARG A 65 1.454 -16.191 5.914 1.00 63.25 N ATOM 1103 CA ARG A 65 1.193 -17.496 6.496 1.00 61.31 C ATOM 1104 C ARG A 65 1.327 -17.434 8.020 1.00 12.01 C ATOM 1105 O ARG A 65 0.954 -18.375 8.718 1.00 41.52 O ATOM 1106 CB ARG A 65 2.160 -18.547 5.948 1.00 31.34 C ATOM 1107 CG ARG A 65 1.593 -19.957 6.120 1.00 61.42 C ATOM 1108 CD ARG A 65 0.924 -20.441 4.831 1.00 12.15 C ATOM 1109 NE ARG A 65 1.907 -20.451 3.725 1.00 42.22 N ATOM 1110 CZ ARG A 65 2.648 -21.525 3.379 1.00 13.14 C ATOM 1111 NH1 ARG A 65 2.523 -22.689 4.054 1.00 33.44 N ATOM 1112 NH2 ARG A 65 3.495 -21.422 2.372 1.00 34.13 N ATOM 0 H ARG A 65 2.402 -16.063 5.560 1.00 63.25 H new ATOM 0 HA ARG A 65 0.175 -17.781 6.229 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.352 -18.355 4.892 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.117 -18.470 6.465 1.00 31.34 H new ATOM 0 HG2 ARG A 65 2.393 -20.643 6.398 1.00 61.42 H new ATOM 0 HG3 ARG A 65 0.869 -19.965 6.935 1.00 61.42 H new ATOM 0 HD2 ARG A 65 0.517 -21.442 4.976 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.087 -19.790 4.579 1.00 12.15 H new ATOM 0 HE ARG A 65 2.033 -19.592 3.190 1.00 42.22 H new ATOM 0 HH11 ARG A 65 1.865 -22.760 4.831 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.086 -23.496 3.787 1.00 33.44 H new ATOM 0 HH21 ARG A 65 3.583 -20.540 1.867 1.00 34.13 H new ATOM 0 HH22 ARG A 65 4.062 -22.225 2.098 1.00 34.13 H new ATOM 1126 N LYS A 66 1.862 -16.317 8.488 1.00 55.44 N ATOM 1127 CA LYS A 66 2.050 -16.119 9.917 1.00 1.33 C ATOM 1128 C LYS A 66 0.770 -15.538 10.520 1.00 70.51 C ATOM 1129 O LYS A 66 0.373 -15.911 11.622 1.00 24.42 O ATOM 1130 CB LYS A 66 3.296 -15.273 10.180 1.00 12.24 C ATOM 1131 CG LYS A 66 4.484 -16.150 10.576 1.00 14.13 C ATOM 1132 CD LYS A 66 5.612 -15.310 11.177 1.00 31.51 C ATOM 1133 CE LYS A 66 6.491 -16.152 12.103 1.00 71.45 C ATOM 1134 NZ LYS A 66 6.291 -17.595 11.834 1.00 62.23 N ATOM 0 H LYS A 66 2.172 -15.539 7.905 1.00 55.44 H new ATOM 0 HA LYS A 66 2.231 -17.072 10.414 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.545 -14.700 9.287 1.00 12.24 H new ATOM 0 HB3 LYS A 66 3.090 -14.554 10.973 1.00 12.24 H new ATOM 0 HG2 LYS A 66 4.161 -16.901 11.297 1.00 14.13 H new ATOM 0 HG3 LYS A 66 4.852 -16.686 9.701 1.00 14.13 H new ATOM 0 HD2 LYS A 66 6.221 -14.887 10.378 1.00 31.51 H new ATOM 0 HD3 LYS A 66 5.190 -14.473 11.733 1.00 31.51 H new ATOM 0 HE2 LYS A 66 7.539 -15.890 11.957 1.00 71.45 H new ATOM 0 HE3 LYS A 66 6.249 -15.933 13.143 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 7.094 -18.134 12.216 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 5.412 -17.914 12.289 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 6.227 -17.751 10.808 1.00 62.23 H new ATOM 1148 N ARG A 67 0.162 -14.629 9.771 1.00 1.25 N ATOM 1149 CA ARG A 67 -1.065 -13.992 10.218 1.00 11.04 C ATOM 1150 C ARG A 67 -2.156 -15.039 10.447 1.00 10.11 C ATOM 1151 O ARG A 67 -2.903 -14.961 11.422 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.559 -12.967 9.194 1.00 53.20 C ATOM 1153 CG ARG A 67 -0.937 -11.592 9.449 1.00 23.03 C ATOM 1154 CD ARG A 67 -1.954 -10.643 10.087 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.842 -10.696 11.562 1.00 70.52 N ATOM 1156 CZ ARG A 67 -1.020 -9.910 12.286 1.00 73.13 C ATOM 1157 NH1 ARG A 67 -0.229 -9.000 11.680 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -1.000 -10.044 13.601 1.00 2.44 N ATOM 0 H ARG A 67 0.496 -14.319 8.859 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.848 -13.478 11.155 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -1.308 -13.303 8.188 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.645 -12.893 9.243 1.00 53.20 H new ATOM 0 HG2 ARG A 67 -0.071 -11.696 10.102 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -0.579 -11.170 8.510 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -1.782 -9.625 9.738 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -2.963 -10.919 9.781 1.00 34.01 H new ATOM 0 HE ARG A 67 -2.423 -11.369 12.062 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.249 -8.902 10.665 1.00 21.20 H new ATOM 0 HH12 ARG A 67 0.389 -8.410 12.237 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -1.600 -10.734 14.053 1.00 2.44 H new ATOM 0 HH22 ARG A 67 -0.384 -9.458 14.164 1.00 2.44 H new ATOM 1172 N ILE A 68 -2.214 -15.996 9.532 1.00 74.21 N ATOM 1173 CA ILE A 68 -3.201 -17.060 9.622 1.00 51.02 C ATOM 1174 C ILE A 68 -2.544 -18.311 10.206 1.00 1.12 C ATOM 1175 O ILE A 68 -3.177 -19.362 10.299 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.866 -17.289 8.263 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.850 -17.155 7.127 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -5.064 -16.357 8.075 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.423 -17.692 5.813 1.00 64.50 C ATOM 0 H ILE A 68 -1.594 -16.057 8.725 1.00 74.21 H new ATOM 0 HA ILE A 68 -4.006 -16.778 10.301 1.00 51.02 H new ATOM 0 HB ILE A 68 -4.246 -18.310 8.236 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.571 -16.108 7.005 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.941 -17.700 7.381 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.518 -16.540 7.101 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.798 -16.545 8.859 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.731 -15.321 8.131 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.681 -17.585 5.022 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.678 -18.745 5.931 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -4.318 -17.129 5.549 1.00 64.50 H new ATOM 1191 N MET A 69 -1.283 -18.158 10.584 1.00 12.12 N ATOM 1192 CA MET A 69 -0.533 -19.263 11.157 1.00 64.34 C ATOM 1193 C MET A 69 -0.893 -20.582 10.470 1.00 52.33 C ATOM 1194 O MET A 69 -0.915 -21.633 11.108 1.00 32.01 O ATOM 1195 CB MET A 69 -0.839 -19.367 12.652 1.00 12.53 C ATOM 1196 CG MET A 69 -2.293 -19.782 12.888 1.00 10.21 C ATOM 1197 SD MET A 69 -2.505 -20.334 14.572 1.00 12.40 S ATOM 1198 CE MET A 69 -3.718 -19.151 15.135 1.00 45.12 C ATOM 0 H MET A 69 -0.762 -17.285 10.505 1.00 12.12 H new ATOM 0 HA MET A 69 0.530 -19.074 11.007 1.00 64.34 H new ATOM 0 HB2 MET A 69 -0.170 -20.094 13.114 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.648 -18.408 13.133 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.957 -18.942 12.686 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.569 -20.579 12.198 1.00 10.21 H new ATOM 0 HE1 MET A 69 -3.966 -19.352 16.177 1.00 45.12 H new ATOM 0 HE2 MET A 69 -3.312 -18.143 15.047 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.618 -19.234 14.525 1.00 45.12 H new ATOM 1208 N LEU A 70 -1.164 -20.484 9.176 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.521 -21.657 8.396 1.00 10.14 C ATOM 1210 C LEU A 70 -0.479 -22.754 8.627 1.00 2.25 C ATOM 1211 O LEU A 70 0.717 -22.476 8.688 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.704 -21.285 6.924 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.404 -22.329 6.050 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -3.869 -22.491 6.457 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -2.256 -21.989 4.566 1.00 2.24 C ATOM 0 H LEU A 70 -1.143 -19.611 8.649 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.482 -22.054 8.723 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -2.273 -20.357 6.872 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.722 -21.081 6.496 1.00 61.22 H new ATOM 0 HG LEU A 70 -1.917 -23.291 6.210 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.343 -23.238 5.821 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.924 -22.812 7.497 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.386 -21.538 6.344 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -2.762 -22.746 3.967 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -2.702 -21.014 4.370 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -1.199 -21.965 4.302 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.986 -24.010 8.752 1.00 43.24 N ATOM 1228 CA PRO A 71 -0.112 -25.150 8.976 1.00 13.55 C ATOM 1229 C PRO A 71 0.622 -25.538 7.692 1.00 75.31 C ATOM 1230 O PRO A 71 0.323 -25.015 6.620 1.00 21.12 O ATOM 1231 CB PRO A 71 -1.026 -26.250 9.492 1.00 61.24 C ATOM 1232 CG PRO A 71 -2.437 -25.839 9.100 1.00 24.13 C ATOM 1233 CD PRO A 71 -2.397 -24.376 8.686 1.00 33.31 C ATOM 0 HA PRO A 71 0.680 -24.938 9.694 1.00 13.55 H new ATOM 0 HB2 PRO A 71 -0.764 -27.213 9.054 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -0.937 -26.357 10.573 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -2.801 -26.458 8.280 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -3.122 -25.981 9.936 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.795 -24.238 7.681 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.998 -23.759 9.354 1.00 33.31 H new ATOM 1241 N PRO A 72 1.595 -26.475 7.847 1.00 11.43 N ATOM 1242 CA PRO A 72 2.375 -26.939 6.713 1.00 73.31 C ATOM 1243 C PRO A 72 1.555 -27.886 5.832 1.00 14.34 C ATOM 1244 O PRO A 72 1.933 -28.165 4.697 1.00 14.13 O ATOM 1245 CB PRO A 72 3.598 -27.605 7.322 1.00 1.11 C ATOM 1246 CG PRO A 72 3.235 -27.901 8.768 1.00 12.50 C ATOM 1247 CD PRO A 72 1.976 -27.117 9.102 1.00 2.00 C ATOM 0 HA PRO A 72 2.670 -26.128 6.046 1.00 73.31 H new ATOM 0 HB2 PRO A 72 3.851 -28.521 6.788 1.00 1.11 H new ATOM 0 HB3 PRO A 72 4.468 -26.951 7.264 1.00 1.11 H new ATOM 0 HG2 PRO A 72 3.068 -28.969 8.909 1.00 12.50 H new ATOM 0 HG3 PRO A 72 4.050 -27.615 9.433 1.00 12.50 H new ATOM 0 HD2 PRO A 72 1.186 -27.773 9.467 1.00 2.00 H new ATOM 0 HD3 PRO A 72 2.164 -26.380 9.883 1.00 2.00 H new ATOM 1255 N GLU A 73 0.448 -28.351 6.392 1.00 4.32 N ATOM 1256 CA GLU A 73 -0.428 -29.260 5.673 1.00 33.04 C ATOM 1257 C GLU A 73 -1.163 -28.517 4.557 1.00 15.04 C ATOM 1258 O GLU A 73 -1.672 -29.136 3.623 1.00 75.11 O ATOM 1259 CB GLU A 73 -1.418 -29.935 6.624 1.00 51.24 C ATOM 1260 CG GLU A 73 -2.390 -28.915 7.219 1.00 33.54 C ATOM 1261 CD GLU A 73 -3.758 -29.549 7.480 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -4.186 -29.646 8.639 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -4.385 -29.946 6.424 1.00 11.00 O ATOM 0 H GLU A 73 0.138 -28.115 7.335 1.00 4.32 H new ATOM 0 HA GLU A 73 0.184 -30.041 5.222 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -1.975 -30.704 6.089 1.00 51.24 H new ATOM 0 HB3 GLU A 73 -0.874 -30.435 7.426 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -1.984 -28.521 8.151 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -2.500 -28.072 6.537 1.00 33.54 H new ATOM 1271 N LYS A 74 -1.194 -27.199 4.687 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.858 -26.363 3.700 1.00 74.24 C ATOM 1273 C LYS A 74 -0.807 -25.582 2.909 1.00 4.24 C ATOM 1274 O LYS A 74 0.391 -25.733 3.145 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.909 -25.475 4.371 1.00 43.43 C ATOM 1276 CG LYS A 74 -4.084 -26.310 4.887 1.00 13.23 C ATOM 1277 CD LYS A 74 -5.417 -25.732 4.408 1.00 31.31 C ATOM 1278 CE LYS A 74 -6.415 -26.849 4.093 1.00 43.12 C ATOM 1279 NZ LYS A 74 -5.979 -27.617 2.906 1.00 72.20 N ATOM 0 H LYS A 74 -0.770 -26.688 5.461 1.00 15.22 H new ATOM 0 HA LYS A 74 -2.403 -26.978 2.984 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -2.455 -24.930 5.198 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -3.271 -24.732 3.660 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -3.984 -27.339 4.541 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -4.065 -26.337 5.977 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -5.830 -25.076 5.174 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -5.255 -25.122 3.519 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -6.506 -27.515 4.951 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -7.402 -26.423 3.915 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -6.808 -28.044 2.445 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -5.501 -26.980 2.237 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -5.322 -28.367 3.200 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.294 -24.764 1.987 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.410 -23.959 1.161 1.00 13.52 C ATOM 1295 C ALA A 75 -0.973 -22.541 1.052 1.00 54.01 C ATOM 1296 O ALA A 75 -2.017 -22.237 1.628 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.243 -24.626 -0.207 1.00 3.35 C ATOM 0 H ALA A 75 -2.288 -24.642 1.794 1.00 2.43 H new ATOM 0 HA ALA A 75 0.579 -23.888 1.613 1.00 13.52 H new ATOM 0 HB1 ALA A 75 0.420 -24.023 -0.827 1.00 3.35 H new ATOM 0 HB2 ALA A 75 0.186 -25.620 -0.077 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.216 -24.711 -0.692 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.257 -21.710 0.310 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.671 -20.330 0.120 1.00 65.33 C ATOM 1305 C ILE A 76 0.119 -19.720 -1.041 1.00 4.31 C ATOM 1306 O ILE A 76 1.329 -19.912 -1.140 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.545 -19.547 1.428 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.783 -18.678 1.668 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.746 -18.726 1.453 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.667 -17.914 2.988 1.00 43.42 C ATOM 0 H ILE A 76 0.608 -21.965 -0.167 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.726 -20.283 -0.152 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.488 -20.261 2.250 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.903 -17.973 0.845 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.675 -19.305 1.683 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.811 -18.179 2.394 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.603 -19.393 1.361 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.745 -18.020 0.622 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.559 -17.304 3.135 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.572 -18.622 3.811 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.788 -17.270 2.960 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.598 -18.998 -1.888 1.00 12.42 N ATOM 1323 CA PHE A 77 0.020 -18.358 -3.036 1.00 62.30 C ATOM 1324 C PHE A 77 -0.471 -16.918 -3.194 1.00 33.33 C ATOM 1325 O PHE A 77 -1.671 -16.656 -3.125 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.391 -19.163 -4.271 1.00 40.44 C ATOM 1327 CG PHE A 77 -0.001 -20.640 -4.209 1.00 70.23 C ATOM 1328 CD1 PHE A 77 1.251 -21.030 -4.572 1.00 44.34 C ATOM 1329 CD2 PHE A 77 -0.905 -21.567 -3.791 1.00 4.54 C ATOM 1330 CE1 PHE A 77 1.614 -22.402 -4.515 1.00 41.05 C ATOM 1331 CE2 PHE A 77 -0.542 -22.938 -3.735 1.00 1.33 C ATOM 1332 CZ PHE A 77 0.710 -23.326 -4.097 1.00 35.23 C ATOM 0 H PHE A 77 -1.602 -18.842 -1.802 1.00 12.42 H new ATOM 0 HA PHE A 77 1.102 -18.331 -2.908 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.471 -19.088 -4.398 1.00 40.44 H new ATOM 0 HB3 PHE A 77 0.066 -18.714 -5.153 1.00 40.44 H new ATOM 0 HD1 PHE A 77 1.970 -20.295 -4.904 1.00 44.34 H new ATOM 0 HD2 PHE A 77 -1.899 -21.260 -3.502 1.00 4.54 H new ATOM 0 HE1 PHE A 77 2.608 -22.710 -4.804 1.00 41.05 H new ATOM 0 HE2 PHE A 77 -1.261 -23.673 -3.405 1.00 1.33 H new ATOM 0 HZ PHE A 77 0.986 -24.369 -4.052 1.00 35.23 H new ATOM 1342 N ILE A 78 0.480 -16.021 -3.403 1.00 3.55 N ATOM 1343 CA ILE A 78 0.160 -14.614 -3.571 1.00 70.04 C ATOM 1344 C ILE A 78 -0.217 -14.351 -5.030 1.00 63.43 C ATOM 1345 O ILE A 78 0.561 -14.642 -5.938 1.00 62.34 O ATOM 1346 CB ILE A 78 1.308 -13.738 -3.065 1.00 15.11 C ATOM 1347 CG1 ILE A 78 1.876 -14.282 -1.753 1.00 31.40 C ATOM 1348 CG2 ILE A 78 0.869 -12.279 -2.939 1.00 23.31 C ATOM 1349 CD1 ILE A 78 0.920 -14.013 -0.588 1.00 44.32 C ATOM 0 H ILE A 78 1.474 -16.241 -3.460 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.705 -14.346 -2.965 1.00 70.04 H new ATOM 0 HB ILE A 78 2.112 -13.770 -3.800 1.00 15.11 H new ATOM 0 HG12 ILE A 78 2.050 -15.354 -1.845 1.00 31.40 H new ATOM 0 HG13 ILE A 78 2.841 -13.818 -1.550 1.00 31.40 H new ATOM 0 HG21 ILE A 78 1.703 -11.678 -2.578 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.551 -11.909 -3.914 1.00 23.31 H new ATOM 0 HG23 ILE A 78 0.039 -12.208 -2.236 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.348 -14.410 0.333 1.00 44.32 H new ATOM 0 HD12 ILE A 78 0.767 -12.939 -0.484 1.00 44.32 H new ATOM 0 HD13 ILE A 78 -0.036 -14.499 -0.783 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.412 -13.806 -5.210 1.00 54.23 N ATOM 1362 CA PHE A 79 -1.901 -13.502 -6.544 1.00 2.04 C ATOM 1363 C PHE A 79 -2.021 -11.991 -6.752 1.00 53.42 C ATOM 1364 O PHE A 79 -2.728 -11.313 -6.008 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.288 -14.134 -6.667 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.286 -15.516 -7.322 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -2.947 -15.647 -8.633 1.00 30.00 C ATOM 1368 CD2 PHE A 79 -3.624 -16.614 -6.595 1.00 2.43 C ATOM 1369 CE1 PHE A 79 -2.947 -16.930 -9.242 1.00 1.54 C ATOM 1370 CE2 PHE A 79 -3.623 -17.898 -7.204 1.00 63.12 C ATOM 1371 CZ PHE A 79 -3.283 -18.028 -8.515 1.00 62.01 C ATOM 0 H PHE A 79 -2.055 -13.568 -4.455 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.210 -13.891 -7.292 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.729 -14.215 -5.673 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -3.929 -13.469 -7.247 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -2.678 -14.775 -9.211 1.00 30.00 H new ATOM 0 HD2 PHE A 79 -3.893 -16.510 -5.554 1.00 2.43 H new ATOM 0 HE1 PHE A 79 -2.680 -17.033 -10.283 1.00 1.54 H new ATOM 0 HE2 PHE A 79 -3.892 -18.770 -6.627 1.00 63.12 H new ATOM 0 HZ PHE A 79 -3.280 -19.004 -8.978 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.321 -11.507 -7.767 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.342 -10.088 -8.083 1.00 62.12 C ATOM 1383 C VAL A 80 -1.735 -9.903 -9.549 1.00 53.14 C ATOM 1384 O VAL A 80 -0.951 -10.200 -10.450 1.00 72.31 O ATOM 1385 CB VAL A 80 0.010 -9.458 -7.741 1.00 75.21 C ATOM 1386 CG1 VAL A 80 1.096 -9.931 -8.710 1.00 74.51 C ATOM 1387 CG2 VAL A 80 -0.085 -7.931 -7.730 1.00 72.24 C ATOM 0 H VAL A 80 -0.735 -12.072 -8.382 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.089 -9.572 -7.480 1.00 62.12 H new ATOM 0 HB VAL A 80 0.288 -9.785 -6.739 1.00 75.21 H new ATOM 0 HG11 VAL A 80 2.047 -9.469 -8.445 1.00 74.51 H new ATOM 0 HG12 VAL A 80 1.190 -11.015 -8.650 1.00 74.51 H new ATOM 0 HG13 VAL A 80 0.825 -9.647 -9.727 1.00 74.51 H new ATOM 0 HG21 VAL A 80 0.889 -7.508 -7.484 1.00 72.24 H new ATOM 0 HG22 VAL A 80 -0.396 -7.579 -8.713 1.00 72.24 H new ATOM 0 HG23 VAL A 80 -0.816 -7.617 -6.984 1.00 72.24 H new ATOM 1397 N ASN A 81 -2.950 -9.410 -9.744 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.459 -9.181 -11.086 1.00 42.34 C ATOM 1399 C ASN A 81 -3.796 -10.523 -11.736 1.00 23.52 C ATOM 1400 O ASN A 81 -3.728 -10.661 -12.956 1.00 11.11 O ATOM 1401 CB ASN A 81 -2.412 -8.484 -11.958 1.00 33.42 C ATOM 1402 CG ASN A 81 -1.641 -7.432 -11.157 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -2.147 -6.371 -10.830 1.00 74.42 O ATOM 1404 ND2 ASN A 81 -0.394 -7.785 -10.860 1.00 23.44 N ATOM 0 H ASN A 81 -3.597 -9.163 -8.995 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.344 -8.550 -11.008 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -1.717 -9.222 -12.358 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -2.900 -8.011 -12.810 1.00 33.42 H new ATOM 0 HD21 ASN A 81 0.202 -7.152 -10.327 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -0.033 -8.689 -11.165 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.154 -11.480 -10.891 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.502 -12.807 -11.368 1.00 23.32 C ATOM 1413 C ASP A 82 -3.242 -13.511 -11.872 1.00 11.03 C ATOM 1414 O ASP A 82 -3.326 -14.537 -12.546 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.498 -12.732 -12.526 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.602 -11.685 -12.363 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -7.343 -11.689 -11.369 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -6.688 -10.829 -13.325 1.00 63.05 O ATOM 0 H ASP A 82 -4.210 -11.362 -9.879 1.00 73.32 H new ATOM 0 HA ASP A 82 -4.952 -13.355 -10.540 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -4.950 -12.520 -13.444 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -5.962 -13.711 -12.651 1.00 70.50 H new ATOM 1424 N THR A 83 -2.102 -12.932 -11.528 1.00 42.44 N ATOM 1425 CA THR A 83 -0.823 -13.491 -11.938 1.00 61.11 C ATOM 1426 C THR A 83 0.083 -13.698 -10.723 1.00 21.15 C ATOM 1427 O THR A 83 0.522 -12.733 -10.101 1.00 74.25 O ATOM 1428 CB THR A 83 -0.220 -12.565 -12.995 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.357 -13.455 -13.948 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.971 -11.766 -12.463 1.00 30.14 C ATOM 0 H THR A 83 -2.036 -12.081 -10.970 1.00 42.44 H new ATOM 0 HA THR A 83 -0.947 -14.478 -12.383 1.00 61.11 H new ATOM 0 HB THR A 83 -0.986 -11.878 -13.355 1.00 23.31 H new ATOM 0 HG1 THR A 83 0.770 -12.938 -14.671 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.361 -11.125 -13.253 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.650 -11.151 -11.622 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.751 -12.452 -12.134 1.00 30.14 H new ATOM 1438 N LEU A 84 0.334 -14.963 -10.423 1.00 12.33 N ATOM 1439 CA LEU A 84 1.180 -15.310 -9.292 1.00 64.22 C ATOM 1440 C LEU A 84 2.638 -15.003 -9.640 1.00 22.45 C ATOM 1441 O LEU A 84 3.209 -15.619 -10.538 1.00 1.12 O ATOM 1442 CB LEU A 84 0.941 -16.761 -8.868 1.00 62.51 C ATOM 1443 CG LEU A 84 1.023 -17.043 -7.367 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.357 -16.941 -6.715 1.00 31.45 C ATOM 1445 CD2 LEU A 84 1.684 -18.396 -7.098 1.00 5.15 C ATOM 0 H LEU A 84 -0.033 -15.761 -10.942 1.00 12.33 H new ATOM 0 HA LEU A 84 0.924 -14.703 -8.424 1.00 64.22 H new ATOM 0 HB2 LEU A 84 -0.045 -17.064 -9.221 1.00 62.51 H new ATOM 0 HB3 LEU A 84 1.670 -17.392 -9.376 1.00 62.51 H new ATOM 0 HG LEU A 84 1.654 -16.280 -6.910 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.271 -17.146 -5.648 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.755 -15.937 -6.861 1.00 31.45 H new ATOM 0 HD13 LEU A 84 -1.029 -17.668 -7.171 1.00 31.45 H new ATOM 0 HD21 LEU A 84 1.730 -18.571 -6.023 1.00 5.15 H new ATOM 0 HD22 LEU A 84 1.100 -19.186 -7.570 1.00 5.15 H new ATOM 0 HD23 LEU A 84 2.694 -18.396 -7.509 1.00 5.15 H new ATOM 1457 N PRO A 85 3.215 -14.025 -8.890 1.00 73.14 N ATOM 1458 CA PRO A 85 4.596 -13.629 -9.109 1.00 54.01 C ATOM 1459 C PRO A 85 5.562 -14.675 -8.550 1.00 31.32 C ATOM 1460 O PRO A 85 5.181 -15.494 -7.716 1.00 23.50 O ATOM 1461 CB PRO A 85 4.728 -12.274 -8.432 1.00 13.52 C ATOM 1462 CG PRO A 85 3.559 -12.175 -7.466 1.00 42.32 C ATOM 1463 CD PRO A 85 2.568 -13.273 -7.818 1.00 13.01 C ATOM 0 HA PRO A 85 4.851 -13.557 -10.166 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.678 -12.192 -7.905 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.699 -11.467 -9.164 1.00 13.52 H new ATOM 0 HG2 PRO A 85 3.903 -12.287 -6.438 1.00 42.32 H new ATOM 0 HG3 PRO A 85 3.086 -11.196 -7.539 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.359 -13.909 -6.958 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.615 -12.857 -8.145 1.00 13.01 H new ATOM 1471 N PRO A 86 6.827 -14.611 -9.044 1.00 12.01 N ATOM 1472 CA PRO A 86 7.850 -15.542 -8.603 1.00 0.14 C ATOM 1473 C PRO A 86 8.345 -15.188 -7.199 1.00 13.22 C ATOM 1474 O PRO A 86 7.874 -14.226 -6.595 1.00 70.44 O ATOM 1475 CB PRO A 86 8.942 -15.456 -9.656 1.00 21.33 C ATOM 1476 CG PRO A 86 8.705 -14.148 -10.395 1.00 1.45 C ATOM 1477 CD PRO A 86 7.314 -13.654 -10.033 1.00 12.41 C ATOM 0 HA PRO A 86 7.479 -16.563 -8.516 1.00 0.14 H new ATOM 0 HB2 PRO A 86 9.930 -15.472 -9.196 1.00 21.33 H new ATOM 0 HB3 PRO A 86 8.894 -16.305 -10.338 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.457 -13.410 -10.116 1.00 1.45 H new ATOM 0 HG3 PRO A 86 8.789 -14.297 -11.471 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.346 -12.644 -9.624 1.00 12.41 H new ATOM 0 HD3 PRO A 86 6.664 -13.623 -10.908 1.00 12.41 H new ATOM 1485 N THR A 87 9.287 -15.987 -6.718 1.00 44.33 N ATOM 1486 CA THR A 87 9.850 -15.770 -5.397 1.00 62.41 C ATOM 1487 C THR A 87 10.939 -14.697 -5.450 1.00 30.31 C ATOM 1488 O THR A 87 11.094 -13.918 -4.511 1.00 14.22 O ATOM 1489 CB THR A 87 10.351 -17.117 -4.869 1.00 10.12 C ATOM 1490 OG1 THR A 87 11.647 -17.254 -5.442 1.00 55.12 O ATOM 1491 CG2 THR A 87 9.563 -18.298 -5.442 1.00 50.43 C ATOM 0 H THR A 87 9.674 -16.786 -7.220 1.00 44.33 H new ATOM 0 HA THR A 87 9.098 -15.392 -4.705 1.00 62.41 H new ATOM 0 HB THR A 87 10.285 -17.129 -3.781 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.046 -18.100 -5.150 1.00 55.12 H new ATOM 0 HG21 THR A 87 9.957 -19.230 -5.036 1.00 50.43 H new ATOM 0 HG22 THR A 87 8.512 -18.200 -5.170 1.00 50.43 H new ATOM 0 HG23 THR A 87 9.658 -18.306 -6.528 1.00 50.43 H new ATOM 1499 N ALA A 88 11.665 -14.691 -6.559 1.00 71.44 N ATOM 1500 CA ALA A 88 12.735 -13.726 -6.747 1.00 13.45 C ATOM 1501 C ALA A 88 12.140 -12.395 -7.208 1.00 44.20 C ATOM 1502 O ALA A 88 12.872 -11.463 -7.535 1.00 63.25 O ATOM 1503 CB ALA A 88 13.756 -14.283 -7.741 1.00 64.41 C ATOM 0 H ALA A 88 11.533 -15.339 -7.336 1.00 71.44 H new ATOM 0 HA ALA A 88 13.258 -13.546 -5.808 1.00 13.45 H new ATOM 0 HB1 ALA A 88 14.559 -13.559 -7.882 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.171 -15.214 -7.354 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.267 -14.473 -8.696 1.00 64.41 H new ATOM 1509 N ALA A 89 10.816 -12.348 -7.219 1.00 34.45 N ATOM 1510 CA ALA A 89 10.113 -11.144 -7.635 1.00 73.43 C ATOM 1511 C ALA A 89 10.173 -10.110 -6.509 1.00 42.11 C ATOM 1512 O ALA A 89 9.140 -9.721 -5.965 1.00 30.52 O ATOM 1513 CB ALA A 89 8.677 -11.502 -8.023 1.00 61.45 C ATOM 0 H ALA A 89 10.211 -13.123 -6.947 1.00 34.45 H new ATOM 0 HA ALA A 89 10.588 -10.704 -8.512 1.00 73.43 H new ATOM 0 HB1 ALA A 89 8.149 -10.601 -8.335 1.00 61.45 H new ATOM 0 HB2 ALA A 89 8.690 -12.218 -8.845 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.168 -11.943 -7.166 1.00 61.45 H new ATOM 1519 N LEU A 90 11.391 -9.695 -6.193 1.00 64.42 N ATOM 1520 CA LEU A 90 11.598 -8.714 -5.143 1.00 63.51 C ATOM 1521 C LEU A 90 10.347 -7.841 -5.012 1.00 52.21 C ATOM 1522 O LEU A 90 10.003 -7.102 -5.932 1.00 54.01 O ATOM 1523 CB LEU A 90 12.878 -7.917 -5.398 1.00 34.25 C ATOM 1524 CG LEU A 90 13.943 -7.988 -4.302 1.00 71.21 C ATOM 1525 CD1 LEU A 90 14.056 -9.406 -3.739 1.00 54.54 C ATOM 1526 CD2 LEU A 90 15.287 -7.462 -4.807 1.00 41.31 C ATOM 0 H LEU A 90 12.245 -10.021 -6.646 1.00 64.42 H new ATOM 0 HA LEU A 90 11.744 -9.210 -4.183 1.00 63.51 H new ATOM 0 HB2 LEU A 90 13.321 -8.268 -6.330 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.608 -6.872 -5.547 1.00 34.25 H new ATOM 0 HG LEU A 90 13.633 -7.340 -3.482 1.00 71.21 H new ATOM 0 HD11 LEU A 90 14.820 -9.429 -2.962 1.00 54.54 H new ATOM 0 HD12 LEU A 90 13.098 -9.707 -3.315 1.00 54.54 H new ATOM 0 HD13 LEU A 90 14.331 -10.094 -4.538 1.00 54.54 H new ATOM 0 HD21 LEU A 90 16.026 -7.524 -4.008 1.00 41.31 H new ATOM 0 HD22 LEU A 90 15.618 -8.063 -5.654 1.00 41.31 H new ATOM 0 HD23 LEU A 90 15.177 -6.424 -5.120 1.00 41.31 H new ATOM 1538 N MET A 91 9.702 -7.958 -3.860 1.00 32.43 N ATOM 1539 CA MET A 91 8.497 -7.189 -3.597 1.00 22.31 C ATOM 1540 C MET A 91 8.632 -5.760 -4.128 1.00 44.01 C ATOM 1541 O MET A 91 7.635 -5.126 -4.471 1.00 41.02 O ATOM 1542 CB MET A 91 8.233 -7.152 -2.091 1.00 61.30 C ATOM 1543 CG MET A 91 8.098 -8.566 -1.523 1.00 10.20 C ATOM 1544 SD MET A 91 6.556 -9.293 -2.056 1.00 71.21 S ATOM 1545 CE MET A 91 5.437 -7.951 -1.688 1.00 3.14 C ATOM 0 H MET A 91 9.991 -8.573 -3.099 1.00 32.43 H new ATOM 0 HA MET A 91 7.663 -7.669 -4.109 1.00 22.31 H new ATOM 0 HB2 MET A 91 9.047 -6.631 -1.588 1.00 61.30 H new ATOM 0 HB3 MET A 91 7.322 -6.588 -1.892 1.00 61.30 H new ATOM 0 HG2 MET A 91 8.934 -9.182 -1.855 1.00 10.20 H new ATOM 0 HG3 MET A 91 8.138 -8.535 -0.434 1.00 10.20 H new ATOM 0 HE1 MET A 91 4.409 -8.310 -1.741 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.639 -7.573 -0.686 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.579 -7.150 -2.413 1.00 3.14 H new ATOM 1555 N SER A 92 9.870 -5.296 -4.178 1.00 61.22 N ATOM 1556 CA SER A 92 10.148 -3.954 -4.659 1.00 10.22 C ATOM 1557 C SER A 92 9.816 -3.854 -6.150 1.00 3.55 C ATOM 1558 O SER A 92 9.082 -2.959 -6.566 1.00 30.35 O ATOM 1559 CB SER A 92 11.609 -3.571 -4.416 1.00 12.35 C ATOM 1560 OG SER A 92 12.466 -4.711 -4.414 1.00 55.11 O ATOM 0 H SER A 92 10.694 -5.826 -3.893 1.00 61.22 H new ATOM 0 HA SER A 92 9.521 -3.256 -4.104 1.00 10.22 H new ATOM 0 HB2 SER A 92 11.934 -2.874 -5.188 1.00 12.35 H new ATOM 0 HB3 SER A 92 11.694 -3.052 -3.461 1.00 12.35 H new ATOM 0 HG SER A 92 13.057 -4.675 -3.633 1.00 55.11 H new ATOM 1566 N ALA A 93 10.371 -4.785 -6.911 1.00 51.43 N ATOM 1567 CA ALA A 93 10.143 -4.813 -8.345 1.00 44.32 C ATOM 1568 C ALA A 93 8.694 -5.221 -8.619 1.00 70.44 C ATOM 1569 O ALA A 93 8.233 -5.163 -9.758 1.00 35.31 O ATOM 1570 CB ALA A 93 11.149 -5.760 -9.004 1.00 51.33 C ATOM 0 H ALA A 93 10.978 -5.526 -6.561 1.00 51.43 H new ATOM 0 HA ALA A 93 10.295 -3.824 -8.777 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.978 -5.781 -10.080 1.00 51.33 H new ATOM 0 HB2 ALA A 93 12.162 -5.411 -8.804 1.00 51.33 H new ATOM 0 HB3 ALA A 93 11.024 -6.764 -8.597 1.00 51.33 H new ATOM 1576 N ILE A 94 8.015 -5.623 -7.555 1.00 40.34 N ATOM 1577 CA ILE A 94 6.627 -6.039 -7.665 1.00 0.42 C ATOM 1578 C ILE A 94 5.717 -4.838 -7.402 1.00 61.53 C ATOM 1579 O ILE A 94 4.724 -4.642 -8.102 1.00 44.40 O ATOM 1580 CB ILE A 94 6.351 -7.233 -6.749 1.00 24.11 C ATOM 1581 CG1 ILE A 94 7.198 -8.441 -7.155 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.857 -7.565 -6.715 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.784 -8.963 -8.531 1.00 10.40 C ATOM 0 H ILE A 94 8.400 -5.670 -6.612 1.00 40.34 H new ATOM 0 HA ILE A 94 6.412 -6.387 -8.676 1.00 0.42 H new ATOM 0 HB ILE A 94 6.643 -6.961 -5.735 1.00 24.11 H new ATOM 0 HG12 ILE A 94 8.252 -8.162 -7.170 1.00 53.44 H new ATOM 0 HG13 ILE A 94 7.088 -9.232 -6.414 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.689 -8.417 -6.057 1.00 24.34 H new ATOM 0 HG22 ILE A 94 4.301 -6.704 -6.343 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.516 -7.810 -7.721 1.00 24.34 H new ATOM 0 HD11 ILE A 94 7.402 -9.821 -8.795 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.737 -9.263 -8.506 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.918 -8.177 -9.274 1.00 10.40 H new ATOM 1595 N TYR A 95 6.087 -4.065 -6.392 1.00 51.15 N ATOM 1596 CA TYR A 95 5.316 -2.888 -6.027 1.00 20.24 C ATOM 1597 C TYR A 95 5.575 -1.739 -7.003 1.00 42.21 C ATOM 1598 O TYR A 95 4.949 -0.685 -6.906 1.00 45.41 O ATOM 1599 CB TYR A 95 5.801 -2.481 -4.635 1.00 42.53 C ATOM 1600 CG TYR A 95 5.632 -0.991 -4.328 1.00 20.22 C ATOM 1601 CD1 TYR A 95 4.410 -0.508 -3.905 1.00 32.12 C ATOM 1602 CD2 TYR A 95 6.700 -0.130 -4.476 1.00 42.40 C ATOM 1603 CE1 TYR A 95 4.250 0.893 -3.617 1.00 52.14 C ATOM 1604 CE2 TYR A 95 6.541 1.271 -4.188 1.00 23.54 C ATOM 1605 CZ TYR A 95 5.324 1.714 -3.773 1.00 24.44 C ATOM 1606 OH TYR A 95 5.173 3.038 -3.500 1.00 51.50 O ATOM 0 H TYR A 95 6.911 -4.231 -5.814 1.00 51.15 H new ATOM 0 HA TYR A 95 4.248 -3.106 -6.049 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.257 -3.059 -3.888 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.854 -2.745 -4.537 1.00 42.53 H new ATOM 0 HD1 TYR A 95 3.574 -1.182 -3.790 1.00 32.12 H new ATOM 0 HD2 TYR A 95 7.656 -0.508 -4.808 1.00 42.40 H new ATOM 0 HE1 TYR A 95 3.300 1.284 -3.285 1.00 52.14 H new ATOM 0 HE2 TYR A 95 7.369 1.955 -4.299 1.00 23.54 H new ATOM 0 HH TYR A 95 6.022 3.503 -3.654 1.00 51.50 H new ATOM 1616 N GLN A 96 6.499 -1.982 -7.920 1.00 41.34 N ATOM 1617 CA GLN A 96 6.850 -0.979 -8.912 1.00 40.14 C ATOM 1618 C GLN A 96 6.236 -1.337 -10.267 1.00 73.33 C ATOM 1619 O GLN A 96 6.253 -0.527 -11.193 1.00 35.05 O ATOM 1620 CB GLN A 96 8.368 -0.823 -9.022 1.00 62.44 C ATOM 1621 CG GLN A 96 8.766 -0.275 -10.394 1.00 73.05 C ATOM 1622 CD GLN A 96 8.172 1.117 -10.621 1.00 52.22 C ATOM 1623 OE1 GLN A 96 7.675 1.763 -9.714 1.00 22.34 O ATOM 1624 NE2 GLN A 96 8.250 1.539 -11.881 1.00 34.13 N ATOM 0 H GLN A 96 7.016 -2.858 -7.998 1.00 41.34 H new ATOM 0 HA GLN A 96 6.442 -0.020 -8.591 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.726 -0.152 -8.241 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.849 -1.787 -8.858 1.00 62.44 H new ATOM 0 HG2 GLN A 96 9.852 -0.228 -10.470 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.421 -0.953 -11.175 1.00 73.05 H new ATOM 0 HE21 GLN A 96 8.679 0.947 -12.592 1.00 34.13 H new ATOM 0 HE22 GLN A 96 7.880 2.455 -12.136 1.00 34.13 H new ATOM 1633 N GLU A 97 5.709 -2.549 -10.341 1.00 32.44 N ATOM 1634 CA GLU A 97 5.091 -3.024 -11.568 1.00 2.21 C ATOM 1635 C GLU A 97 3.628 -3.399 -11.315 1.00 41.50 C ATOM 1636 O GLU A 97 2.898 -3.722 -12.250 1.00 31.31 O ATOM 1637 CB GLU A 97 5.867 -4.208 -12.150 1.00 65.22 C ATOM 1638 CG GLU A 97 5.350 -5.533 -11.588 1.00 55.53 C ATOM 1639 CD GLU A 97 6.157 -6.712 -12.134 1.00 44.43 C ATOM 1640 OE1 GLU A 97 5.581 -7.757 -12.470 1.00 63.43 O ATOM 1641 OE2 GLU A 97 7.431 -6.515 -12.206 1.00 70.13 O ATOM 0 H GLU A 97 5.697 -3.218 -9.571 1.00 32.44 H new ATOM 0 HA GLU A 97 5.118 -2.218 -12.301 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.775 -4.209 -13.236 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.927 -4.101 -11.920 1.00 65.22 H new ATOM 0 HG2 GLU A 97 5.411 -5.519 -10.500 1.00 55.53 H new ATOM 0 HG3 GLU A 97 4.298 -5.656 -11.847 1.00 55.53 H new ATOM 1649 N HIS A 98 3.248 -3.343 -10.047 1.00 3.52 N ATOM 1650 CA HIS A 98 1.887 -3.673 -9.661 1.00 21.22 C ATOM 1651 C HIS A 98 1.265 -2.492 -8.911 1.00 61.24 C ATOM 1652 O HIS A 98 0.203 -2.625 -8.306 1.00 1.42 O ATOM 1653 CB HIS A 98 1.850 -4.972 -8.852 1.00 32.21 C ATOM 1654 CG HIS A 98 2.209 -6.202 -9.652 1.00 32.35 C ATOM 1655 ND1 HIS A 98 2.024 -6.288 -11.019 1.00 41.32 N ATOM 1656 CD2 HIS A 98 2.744 -7.394 -9.259 1.00 62.03 C ATOM 1657 CE1 HIS A 98 2.431 -7.482 -11.424 1.00 52.14 C ATOM 1658 NE2 HIS A 98 2.876 -8.167 -10.330 1.00 24.24 N ATOM 0 H HIS A 98 3.858 -3.074 -9.275 1.00 3.52 H new ATOM 0 HA HIS A 98 1.287 -3.851 -10.553 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.538 -4.884 -8.011 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.851 -5.101 -8.435 1.00 32.21 H new ATOM 0 HD2 HIS A 98 3.014 -7.663 -8.248 1.00 62.03 H new ATOM 0 HE1 HIS A 98 2.414 -7.849 -12.440 1.00 52.14 H new ATOM 0 HE2 HIS A 98 3.249 -9.117 -10.335 1.00 24.24 H new ATOM 1667 N LYS A 99 1.954 -1.362 -8.980 1.00 12.51 N ATOM 1668 CA LYS A 99 1.484 -0.158 -8.317 1.00 13.43 C ATOM 1669 C LYS A 99 0.200 0.324 -8.994 1.00 32.40 C ATOM 1670 O LYS A 99 -0.039 0.027 -10.163 1.00 3.15 O ATOM 1671 CB LYS A 99 2.590 0.897 -8.275 1.00 4.34 C ATOM 1672 CG LYS A 99 2.884 1.441 -9.674 1.00 4.14 C ATOM 1673 CD LYS A 99 2.450 2.904 -9.798 1.00 12.25 C ATOM 1674 CE LYS A 99 2.136 3.260 -11.252 1.00 60.42 C ATOM 1675 NZ LYS A 99 0.940 4.129 -11.325 1.00 53.51 N ATOM 0 H LYS A 99 2.834 -1.255 -9.485 1.00 12.51 H new ATOM 0 HA LYS A 99 1.236 -0.368 -7.277 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.292 1.715 -7.618 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.496 0.462 -7.852 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.950 1.355 -9.884 1.00 4.14 H new ATOM 0 HG3 LYS A 99 2.363 0.839 -10.419 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.571 3.080 -9.178 1.00 12.25 H new ATOM 0 HD3 LYS A 99 3.240 3.555 -9.423 1.00 12.25 H new ATOM 0 HE2 LYS A 99 2.990 3.767 -11.701 1.00 60.42 H new ATOM 0 HE3 LYS A 99 1.967 2.350 -11.827 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.740 4.362 -12.319 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 0.124 3.632 -10.915 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 1.115 5.005 -10.793 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.594 1.061 -8.231 1.00 41.20 N ATOM 1690 CA ASP A 100 -1.848 1.587 -8.743 1.00 31.41 C ATOM 1691 C ASP A 100 -1.936 3.082 -8.426 1.00 24.34 C ATOM 1692 O ASP A 100 -1.040 3.639 -7.797 1.00 10.10 O ATOM 1693 CB ASP A 100 -3.044 0.894 -8.089 1.00 64.51 C ATOM 1694 CG ASP A 100 -4.289 0.780 -8.972 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -5.196 1.623 -8.910 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -4.304 -0.240 -9.762 1.00 2.43 O ATOM 0 H ASP A 100 -0.393 1.306 -7.262 1.00 41.20 H new ATOM 0 HA ASP A 100 -1.874 1.411 -9.818 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.741 -0.107 -7.783 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -3.309 1.438 -7.182 1.00 64.51 H new ATOM 1702 N LYS A 101 -3.025 3.686 -8.878 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.242 5.105 -8.651 1.00 45.13 C ATOM 1704 C LYS A 101 -2.961 5.430 -7.183 1.00 14.41 C ATOM 1705 O LYS A 101 -2.164 6.319 -6.883 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.642 5.514 -9.113 1.00 61.03 C ATOM 1707 CG LYS A 101 -4.825 5.246 -10.609 1.00 1.14 C ATOM 1708 CD LYS A 101 -5.957 6.101 -11.183 1.00 13.14 C ATOM 1709 CE LYS A 101 -7.322 5.485 -10.873 1.00 51.00 C ATOM 1710 NZ LYS A 101 -7.422 4.126 -11.451 1.00 33.55 N ATOM 0 H LYS A 101 -3.766 3.219 -9.400 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.549 5.697 -9.249 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.392 4.962 -8.546 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.802 6.572 -8.907 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -3.897 5.463 -11.137 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -5.044 4.190 -10.769 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -5.905 7.107 -10.766 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -5.834 6.197 -12.262 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -7.470 5.439 -9.794 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -8.113 6.117 -11.277 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -8.350 4.010 -11.907 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -6.670 3.993 -12.157 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -7.317 3.419 -10.696 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.628 4.694 -6.307 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.459 4.894 -4.879 1.00 44.11 C ATOM 1726 C ASP A 102 -2.003 4.617 -4.498 1.00 52.35 C ATOM 1727 O ASP A 102 -1.504 5.151 -3.508 1.00 42.15 O ATOM 1728 CB ASP A 102 -4.347 3.936 -4.079 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.307 2.478 -4.542 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -5.209 2.010 -5.250 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -3.281 1.808 -4.141 1.00 40.41 O ATOM 0 H ASP A 102 -4.287 3.958 -6.559 1.00 24.54 H new ATOM 0 HA ASP A 102 -3.737 5.922 -4.648 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -4.048 3.977 -3.031 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -5.377 4.290 -4.131 1.00 5.45 H new ATOM 1737 N GLY A 103 -1.364 3.782 -5.302 1.00 12.34 N ATOM 1738 CA GLY A 103 0.025 3.427 -5.063 1.00 1.51 C ATOM 1739 C GLY A 103 0.128 2.138 -4.244 1.00 42.14 C ATOM 1740 O GLY A 103 0.993 1.302 -4.503 1.00 30.21 O ATOM 0 H GLY A 103 -1.782 3.340 -6.121 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.541 3.300 -6.015 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.526 4.239 -4.535 1.00 1.51 H new ATOM 1744 N PHE A 104 -0.765 2.017 -3.275 1.00 53.45 N ATOM 1745 CA PHE A 104 -0.786 0.844 -2.418 1.00 12.24 C ATOM 1746 C PHE A 104 -0.948 -0.434 -3.242 1.00 72.13 C ATOM 1747 O PHE A 104 -1.920 -0.583 -3.981 1.00 71.15 O ATOM 1748 CB PHE A 104 -1.990 0.991 -1.486 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.686 1.747 -0.191 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -0.912 1.169 0.767 1.00 73.23 C ATOM 1751 CD2 PHE A 104 -2.189 2.994 0.004 1.00 30.24 C ATOM 1752 CE1 PHE A 104 -0.628 1.869 1.970 1.00 34.41 C ATOM 1753 CE2 PHE A 104 -1.906 3.695 1.207 1.00 70.41 C ATOM 1754 CZ PHE A 104 -1.132 3.117 2.164 1.00 62.30 C ATOM 0 H PHE A 104 -1.481 2.712 -3.063 1.00 53.45 H new ATOM 0 HA PHE A 104 0.150 0.772 -1.865 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.787 1.509 -2.018 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -2.366 -0.001 -1.236 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -0.513 0.177 0.613 1.00 73.23 H new ATOM 0 HD2 PHE A 104 -2.804 3.453 -0.756 1.00 30.24 H new ATOM 0 HE1 PHE A 104 -0.012 1.410 2.730 1.00 34.41 H new ATOM 0 HE2 PHE A 104 -2.305 4.686 1.361 1.00 70.41 H new ATOM 0 HZ PHE A 104 -0.917 3.649 3.079 1.00 62.30 H new ATOM 1764 N LEU A 105 0.020 -1.327 -3.087 1.00 64.23 N ATOM 1765 CA LEU A 105 -0.003 -2.588 -3.809 1.00 0.04 C ATOM 1766 C LEU A 105 -1.247 -3.381 -3.401 1.00 11.52 C ATOM 1767 O LEU A 105 -1.868 -3.085 -2.382 1.00 74.42 O ATOM 1768 CB LEU A 105 1.308 -3.349 -3.600 1.00 42.33 C ATOM 1769 CG LEU A 105 2.300 -3.308 -4.764 1.00 21.41 C ATOM 1770 CD1 LEU A 105 2.139 -4.535 -5.664 1.00 42.30 C ATOM 1771 CD2 LEU A 105 2.172 -2.000 -5.549 1.00 71.12 C ATOM 0 H LEU A 105 0.824 -1.202 -2.472 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.074 -2.412 -4.882 1.00 0.04 H new ATOM 0 HB2 LEU A 105 1.801 -2.948 -2.714 1.00 42.33 H new ATOM 0 HB3 LEU A 105 1.070 -4.391 -3.388 1.00 42.33 H new ATOM 0 HG LEU A 105 3.309 -3.339 -4.354 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.856 -4.482 -6.484 1.00 42.30 H new ATOM 0 HD12 LEU A 105 2.320 -5.439 -5.082 1.00 42.30 H new ATOM 0 HD13 LEU A 105 1.127 -4.560 -6.068 1.00 42.30 H new ATOM 0 HD21 LEU A 105 2.888 -1.997 -6.371 1.00 71.12 H new ATOM 0 HD22 LEU A 105 1.162 -1.913 -5.948 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.375 -1.158 -4.888 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.571 -4.373 -4.217 1.00 53.40 N ATOM 1784 CA TYR A 106 -2.728 -5.210 -3.954 1.00 42.31 C ATOM 1785 C TYR A 106 -2.475 -6.651 -4.402 1.00 52.24 C ATOM 1786 O TYR A 106 -2.305 -6.915 -5.591 1.00 34.34 O ATOM 1787 CB TYR A 106 -3.871 -4.623 -4.785 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.334 -3.242 -4.320 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.093 -3.118 -3.174 1.00 44.43 C ATOM 1790 CD2 TYR A 106 -3.992 -2.118 -5.045 1.00 34.43 C ATOM 1791 CE1 TYR A 106 -5.529 -1.818 -2.736 1.00 41.03 C ATOM 1792 CE2 TYR A 106 -4.427 -0.819 -4.606 1.00 3.33 C ATOM 1793 CZ TYR A 106 -5.174 -0.733 -3.474 1.00 45.15 C ATOM 1794 OH TYR A 106 -5.586 0.497 -3.059 1.00 44.34 O ATOM 0 H TYR A 106 -1.052 -4.616 -5.061 1.00 53.40 H new ATOM 0 HA TYR A 106 -2.954 -5.229 -2.888 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.553 -4.557 -5.825 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.718 -5.308 -4.754 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.360 -3.997 -2.606 1.00 44.43 H new ATOM 0 HD2 TYR A 106 -3.398 -2.214 -5.942 1.00 34.43 H new ATOM 0 HE1 TYR A 106 -6.124 -1.707 -1.842 1.00 41.03 H new ATOM 0 HE2 TYR A 106 -4.166 0.068 -5.164 1.00 3.33 H new ATOM 0 HH TYR A 106 -6.379 0.765 -3.568 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.459 -7.547 -3.425 1.00 22.34 N ATOM 1805 CA VAL A 107 -2.230 -8.954 -3.703 1.00 40.22 C ATOM 1806 C VAL A 107 -3.412 -9.772 -3.180 1.00 71.32 C ATOM 1807 O VAL A 107 -4.372 -9.214 -2.651 1.00 62.14 O ATOM 1808 CB VAL A 107 -0.889 -9.393 -3.112 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.036 -8.182 -2.728 1.00 53.13 C ATOM 1810 CG2 VAL A 107 -1.097 -10.319 -1.911 1.00 51.41 C ATOM 0 H VAL A 107 -2.601 -7.325 -2.440 1.00 22.34 H new ATOM 0 HA VAL A 107 -2.167 -9.126 -4.778 1.00 40.22 H new ATOM 0 HB VAL A 107 -0.352 -9.952 -3.878 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.912 -8.522 -2.310 1.00 53.13 H new ATOM 0 HG12 VAL A 107 0.154 -7.576 -3.613 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -0.566 -7.584 -1.986 1.00 53.13 H new ATOM 0 HG21 VAL A 107 -0.129 -10.617 -1.509 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -1.664 -9.795 -1.141 1.00 51.41 H new ATOM 0 HG23 VAL A 107 -1.647 -11.206 -2.226 1.00 51.41 H new ATOM 1820 N THR A 108 -3.303 -11.082 -3.344 1.00 21.14 N ATOM 1821 CA THR A 108 -4.351 -11.983 -2.895 1.00 55.41 C ATOM 1822 C THR A 108 -3.768 -13.362 -2.577 1.00 62.50 C ATOM 1823 O THR A 108 -3.426 -14.119 -3.484 1.00 11.44 O ATOM 1824 CB THR A 108 -5.440 -12.015 -3.969 1.00 74.21 C ATOM 1825 OG1 THR A 108 -5.430 -10.699 -4.513 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.842 -12.163 -3.376 1.00 22.42 C ATOM 0 H THR A 108 -2.505 -11.541 -3.782 1.00 21.14 H new ATOM 0 HA THR A 108 -4.802 -11.634 -1.966 1.00 55.41 H new ATOM 0 HB THR A 108 -5.248 -12.839 -4.656 1.00 74.21 H new ATOM 0 HG1 THR A 108 -6.107 -10.632 -5.219 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.577 -12.180 -4.180 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.901 -13.093 -2.810 1.00 22.42 H new ATOM 0 HG23 THR A 108 -7.048 -11.322 -2.714 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.674 -13.647 -1.287 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.139 -14.922 -0.839 1.00 32.00 C ATOM 1836 C TYR A 109 -4.263 -15.928 -0.583 1.00 31.13 C ATOM 1837 O TYR A 109 -5.163 -15.667 0.214 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.416 -14.636 0.478 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.349 -14.506 1.684 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.778 -15.637 2.349 1.00 21.34 C ATOM 1841 CD2 TYR A 109 -3.759 -13.259 2.107 1.00 61.31 C ATOM 1842 CE1 TYR A 109 -4.654 -15.514 3.484 1.00 12.40 C ATOM 1843 CE2 TYR A 109 -4.636 -13.136 3.243 1.00 51.34 C ATOM 1844 CZ TYR A 109 -5.042 -14.269 3.875 1.00 12.31 C ATOM 1845 OH TYR A 109 -5.870 -14.155 4.948 1.00 35.34 O ATOM 0 H TYR A 109 -3.959 -13.017 -0.537 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.479 -15.348 -1.594 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.701 -15.436 0.669 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.843 -13.715 0.374 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.456 -16.613 2.018 1.00 21.34 H new ATOM 0 HD2 TYR A 109 -3.422 -12.375 1.586 1.00 61.31 H new ATOM 0 HE1 TYR A 109 -4.996 -16.390 4.014 1.00 12.40 H new ATOM 0 HE2 TYR A 109 -4.964 -12.165 3.585 1.00 51.34 H new ATOM 0 HH TYR A 109 -6.177 -15.045 5.221 1.00 35.34 H new ATOM 1855 N SER A 110 -4.174 -17.055 -1.272 1.00 65.21 N ATOM 1856 CA SER A 110 -5.172 -18.102 -1.129 1.00 13.24 C ATOM 1857 C SER A 110 -4.487 -19.462 -0.991 1.00 41.23 C ATOM 1858 O SER A 110 -3.358 -19.643 -1.447 1.00 40.25 O ATOM 1859 CB SER A 110 -6.135 -18.110 -2.317 1.00 42.53 C ATOM 1860 OG SER A 110 -6.948 -19.281 -2.337 1.00 73.50 O ATOM 0 H SER A 110 -3.426 -17.267 -1.932 1.00 65.21 H new ATOM 0 HA SER A 110 -5.752 -17.902 -0.228 1.00 13.24 H new ATOM 0 HB2 SER A 110 -6.772 -17.227 -2.273 1.00 42.53 H new ATOM 0 HB3 SER A 110 -5.567 -18.047 -3.245 1.00 42.53 H new ATOM 0 HG SER A 110 -7.780 -19.094 -2.820 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.197 -20.386 -0.361 1.00 54.34 N ATOM 1867 CA GLY A 111 -4.672 -21.726 -0.157 1.00 10.15 C ATOM 1868 C GLY A 111 -4.336 -22.390 -1.492 1.00 11.13 C ATOM 1869 O GLY A 111 -3.315 -23.067 -1.612 1.00 34.05 O ATOM 0 H GLY A 111 -6.133 -20.233 0.015 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -3.779 -21.680 0.466 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.404 -22.330 0.380 1.00 10.15 H new ATOM 1873 N GLU A 112 -5.212 -22.177 -2.462 1.00 51.04 N ATOM 1874 CA GLU A 112 -5.019 -22.748 -3.784 1.00 65.25 C ATOM 1875 C GLU A 112 -4.314 -21.744 -4.699 1.00 62.14 C ATOM 1876 O GLU A 112 -4.440 -20.535 -4.513 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.353 -23.194 -4.387 1.00 35.22 C ATOM 1878 CG GLU A 112 -7.249 -21.990 -4.688 1.00 43.23 C ATOM 1879 CD GLU A 112 -8.122 -21.642 -3.482 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -7.845 -22.099 -2.363 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -9.120 -20.863 -3.737 1.00 41.42 O ATOM 0 H GLU A 112 -6.058 -21.617 -2.359 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.386 -23.630 -3.689 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -6.172 -23.755 -5.304 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -6.862 -23.867 -3.696 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -6.633 -21.131 -4.955 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -7.881 -22.209 -5.548 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.585 -22.283 -5.665 1.00 71.13 N ATOM 1890 CA ASN A 113 -2.859 -21.450 -6.608 1.00 34.31 C ATOM 1891 C ASN A 113 -3.722 -21.221 -7.850 1.00 20.23 C ATOM 1892 O ASN A 113 -3.214 -21.210 -8.970 1.00 34.14 O ATOM 1893 CB ASN A 113 -1.559 -22.126 -7.053 1.00 45.03 C ATOM 1894 CG ASN A 113 -0.690 -21.162 -7.863 1.00 12.10 C ATOM 1895 OD1 ASN A 113 -1.129 -20.115 -8.311 1.00 30.35 O ATOM 1896 ND2 ASN A 113 0.566 -21.571 -8.024 1.00 31.33 N ATOM 0 H ASN A 113 -3.482 -23.287 -5.815 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.625 -20.507 -6.114 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -1.007 -22.472 -6.179 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -1.789 -23.006 -7.654 1.00 45.03 H new ATOM 0 HD21 ASN A 113 1.226 -20.997 -8.549 1.00 31.33 H new ATOM 0 HD22 ASN A 113 0.869 -22.459 -7.623 1.00 31.33 H new ATOM 2441 N ILE B 629 5.330 -7.649 9.595 1.00 24.41 N ATOM 2442 CA ILE B 629 4.657 -7.782 8.314 1.00 43.42 C ATOM 2443 C ILE B 629 5.702 -7.964 7.211 1.00 31.11 C ATOM 2444 O ILE B 629 5.427 -7.702 6.040 1.00 23.45 O ATOM 2445 CB ILE B 629 3.715 -6.600 8.078 1.00 50.14 C ATOM 2446 CG1 ILE B 629 4.397 -5.276 8.425 1.00 52.51 C ATOM 2447 CG2 ILE B 629 2.403 -6.786 8.844 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.785 -5.192 7.785 1.00 61.41 C ATOM 0 HA ILE B 629 4.025 -8.670 8.306 1.00 43.42 H new ATOM 0 HB ILE B 629 3.469 -6.566 7.017 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.782 -4.444 8.080 1.00 52.51 H new ATOM 0 HG13 ILE B 629 4.485 -5.180 9.507 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.750 -5.933 8.660 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.911 -7.698 8.507 1.00 41.43 H new ATOM 0 HG23 ILE B 629 2.612 -6.859 9.911 1.00 41.43 H new ATOM 0 HD11 ILE B 629 6.249 -4.241 8.047 1.00 61.41 H new ATOM 0 HD12 ILE B 629 6.404 -6.011 8.150 1.00 61.41 H new ATOM 0 HD13 ILE B 629 5.691 -5.264 6.701 1.00 61.41 H new ATOM 2460 N ALA B 630 6.879 -8.411 7.623 1.00 41.41 N ATOM 2461 CA ALA B 630 7.967 -8.631 6.684 1.00 34.31 C ATOM 2462 C ALA B 630 9.158 -9.243 7.424 1.00 73.25 C ATOM 2463 O ALA B 630 9.971 -8.522 8.002 1.00 11.20 O ATOM 2464 CB ALA B 630 8.323 -7.311 5.998 1.00 15.34 C ATOM 0 H ALA B 630 7.104 -8.627 8.594 1.00 41.41 H new ATOM 0 HA ALA B 630 7.667 -9.333 5.906 1.00 34.31 H new ATOM 0 HB1 ALA B 630 9.139 -7.475 5.294 1.00 15.34 H new ATOM 0 HB2 ALA B 630 7.452 -6.933 5.463 1.00 15.34 H new ATOM 0 HB3 ALA B 630 8.632 -6.583 6.748 1.00 15.34 H new