USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=23 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= -4.1! K(o=-12!,f=-4.4) USER MOD Set 1.2: A 98 HIS : no HD1:sc= -7.41! C(o=-12!,f=-4.4!) USER MOD Set 2.1: A 35 LYS NZ :NH3+ -154:sc= -8.89! (180deg=-6.79!) USER MOD Set 2.2: A 39 SER OG : rot -160:sc= -2.93! USER MOD Single : A 4 THR OG1 : rot -155:sc= -3.28! USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 34:sc= 1.05 USER MOD Single : A 9 TYR OH : rot -26:sc= -4.03! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 139:sc= -0.386 (180deg=-0.979) USER MOD Single : A 18 SER OG : rot 128:sc= 1.03 USER MOD Single : A 27 ASN : amide:sc=-0.00144 X(o=-0.0014,f=-0.09) USER MOD Single : A 33 CYS SG : rot -84:sc= -4.5! USER MOD Single : A 38 LYS NZ :NH3+ 147:sc= -0.55 (180deg=-1.91!) USER MOD Single : A 46 LYS NZ :NH3+ -119:sc= -2.43! (180deg=-4.51!) USER MOD Single : A 48 LYS NZ :NH3+ 142:sc= -4.33! (180deg=-6.63!) USER MOD Single : A 49 TYR OH : rot -176:sc= -4.68! USER MOD Single : A 56 THR OG1 : rot 126:sc= 0.306 USER MOD Single : A 59 GLN : amide:sc= -1.58! C(o=-1.6!,f=-5.2!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.0931 USER MOD Single : A 91 MET CE :methyl -161:sc= -1.01! (180deg=-2.48!) USER MOD Single : A 92 SER OG : rot -131:sc= -0.857 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.025 X(o=-0.025,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 TYR OH : rot 176:sc= -3.63! USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.24! USER MOD Single : A 109 TYR OH : rot 180:sc= -0.455 USER MOD Single : A 110 SER OG : rot -160:sc= -2.85! USER MOD Single : A 113 ASN : amide:sc= -4.88! C(o=-4.9!,f=-1.3!) USER MOD ----------------------------------------------------------------- ATOM 69 N THR A 4 -11.169 -5.096 4.645 1.00 53.15 N ATOM 70 CA THR A 4 -11.089 -4.518 5.976 1.00 1.20 C ATOM 71 C THR A 4 -10.410 -3.148 5.923 1.00 34.02 C ATOM 72 O THR A 4 -11.082 -2.122 5.839 1.00 52.13 O ATOM 73 CB THR A 4 -10.369 -5.518 6.883 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.354 -6.074 6.052 1.00 53.12 O ATOM 75 CG2 THR A 4 -11.248 -6.716 7.248 1.00 74.44 C ATOM 0 HA THR A 4 -12.081 -4.338 6.389 1.00 1.20 H new ATOM 0 HB THR A 4 -10.046 -5.013 7.794 1.00 73.15 H new ATOM 0 HG1 THR A 4 -9.111 -6.964 6.383 1.00 53.12 H new ATOM 0 HG21 THR A 4 -10.689 -7.394 7.893 1.00 74.44 H new ATOM 0 HG22 THR A 4 -12.138 -6.368 7.772 1.00 74.44 H new ATOM 0 HG23 THR A 4 -11.544 -7.240 6.339 1.00 74.44 H new ATOM 83 N PHE A 5 -9.086 -3.177 5.972 1.00 11.00 N ATOM 84 CA PHE A 5 -8.308 -1.951 5.930 1.00 22.31 C ATOM 85 C PHE A 5 -8.496 -1.228 4.595 1.00 41.51 C ATOM 86 O PHE A 5 -8.076 -0.082 4.441 1.00 44.32 O ATOM 87 CB PHE A 5 -6.839 -2.347 6.081 1.00 64.21 C ATOM 88 CG PHE A 5 -5.856 -1.199 5.841 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.575 -0.799 4.571 1.00 10.12 C ATOM 90 CD2 PHE A 5 -5.266 -0.577 6.896 1.00 75.11 C ATOM 91 CE1 PHE A 5 -4.664 0.268 4.348 1.00 0.14 C ATOM 92 CE2 PHE A 5 -4.354 0.489 6.673 1.00 33.11 C ATOM 93 CZ PHE A 5 -4.072 0.888 5.404 1.00 2.25 C ATOM 0 H PHE A 5 -8.532 -4.031 6.040 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.631 -1.278 6.725 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.681 -2.743 7.084 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.617 -3.153 5.382 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -6.044 -1.293 3.733 1.00 10.12 H new ATOM 0 HD2 PHE A 5 -5.491 -0.893 7.904 1.00 75.11 H new ATOM 0 HE1 PHE A 5 -4.442 0.587 3.340 1.00 0.14 H new ATOM 0 HE2 PHE A 5 -3.885 0.982 7.511 1.00 33.11 H new ATOM 0 HZ PHE A 5 -3.378 1.698 5.235 1.00 2.25 H new ATOM 103 N LYS A 6 -9.127 -1.928 3.663 1.00 54.43 N ATOM 104 CA LYS A 6 -9.374 -1.368 2.345 1.00 61.10 C ATOM 105 C LYS A 6 -10.807 -0.833 2.286 1.00 23.11 C ATOM 106 O LYS A 6 -11.153 -0.077 1.379 1.00 53.24 O ATOM 107 CB LYS A 6 -9.055 -2.395 1.258 1.00 72.11 C ATOM 108 CG LYS A 6 -9.426 -1.860 -0.127 1.00 41.42 C ATOM 109 CD LYS A 6 -10.639 -2.601 -0.693 1.00 55.05 C ATOM 110 CE LYS A 6 -10.966 -2.115 -2.108 1.00 11.24 C ATOM 111 NZ LYS A 6 -12.225 -2.727 -2.586 1.00 41.43 N ATOM 0 H LYS A 6 -9.475 -2.878 3.795 1.00 54.43 H new ATOM 0 HA LYS A 6 -8.709 -0.525 2.157 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -7.993 -2.640 1.285 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -9.601 -3.318 1.453 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -9.644 -0.794 -0.063 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -8.579 -1.972 -0.803 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -10.440 -3.673 -0.709 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -11.500 -2.446 -0.043 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -11.057 -1.029 -2.114 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -10.150 -2.370 -2.785 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -12.433 -2.388 -3.547 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -12.125 -3.762 -2.599 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -13.003 -2.462 -1.949 1.00 41.43 H new ATOM 125 N SER A 7 -11.600 -1.246 3.262 1.00 32.24 N ATOM 126 CA SER A 7 -12.987 -0.819 3.331 1.00 10.10 C ATOM 127 C SER A 7 -13.184 0.131 4.515 1.00 13.42 C ATOM 128 O SER A 7 -14.308 0.533 4.813 1.00 63.35 O ATOM 129 CB SER A 7 -13.929 -2.018 3.451 1.00 44.33 C ATOM 130 OG SER A 7 -15.059 -1.731 4.270 1.00 52.21 O ATOM 0 H SER A 7 -11.309 -1.872 4.013 1.00 32.24 H new ATOM 0 HA SER A 7 -13.228 -0.294 2.407 1.00 10.10 H new ATOM 0 HB2 SER A 7 -14.267 -2.314 2.458 1.00 44.33 H new ATOM 0 HB3 SER A 7 -13.385 -2.866 3.868 1.00 44.33 H new ATOM 0 HG SER A 7 -15.311 -0.790 4.162 1.00 52.21 H new ATOM 136 N GLU A 8 -12.074 0.458 5.160 1.00 33.03 N ATOM 137 CA GLU A 8 -12.110 1.351 6.305 1.00 53.01 C ATOM 138 C GLU A 8 -12.139 2.809 5.840 1.00 75.05 C ATOM 139 O GLU A 8 -12.161 3.725 6.661 1.00 11.10 O ATOM 140 CB GLU A 8 -10.924 1.097 7.236 1.00 50.33 C ATOM 141 CG GLU A 8 -11.391 0.908 8.681 1.00 33.05 C ATOM 142 CD GLU A 8 -10.840 -0.392 9.270 1.00 44.11 C ATOM 143 OE1 GLU A 8 -11.452 -0.970 10.180 1.00 71.32 O ATOM 144 OE2 GLU A 8 -9.733 -0.801 8.748 1.00 31.12 O ATOM 0 H GLU A 8 -11.144 0.120 4.911 1.00 33.03 H new ATOM 0 HA GLU A 8 -13.021 1.151 6.868 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -10.382 0.211 6.906 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -10.229 1.935 7.182 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -11.063 1.753 9.286 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -12.480 0.894 8.716 1.00 33.05 H new ATOM 152 N TYR A 9 -12.141 2.978 4.526 1.00 11.51 N ATOM 153 CA TYR A 9 -12.166 4.309 3.943 1.00 34.03 C ATOM 154 C TYR A 9 -12.152 4.238 2.415 1.00 13.04 C ATOM 155 O TYR A 9 -11.934 3.171 1.842 1.00 20.14 O ATOM 156 CB TYR A 9 -10.890 5.005 4.422 1.00 23.45 C ATOM 157 CG TYR A 9 -9.748 4.045 4.758 1.00 45.31 C ATOM 158 CD1 TYR A 9 -9.116 3.343 3.752 1.00 31.32 C ATOM 159 CD2 TYR A 9 -9.347 3.882 6.069 1.00 32.35 C ATOM 160 CE1 TYR A 9 -8.040 2.439 4.069 1.00 14.01 C ATOM 161 CE2 TYR A 9 -8.272 2.979 6.386 1.00 14.04 C ATOM 162 CZ TYR A 9 -7.671 2.302 5.370 1.00 24.23 C ATOM 163 OH TYR A 9 -6.656 1.449 5.671 1.00 62.13 O ATOM 0 H TYR A 9 -12.126 2.216 3.849 1.00 11.51 H new ATOM 0 HA TYR A 9 -13.069 4.842 4.242 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -10.554 5.697 3.650 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -11.122 5.600 5.305 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -9.428 3.471 2.726 1.00 31.32 H new ATOM 0 HD2 TYR A 9 -9.840 4.432 6.857 1.00 32.35 H new ATOM 0 HE1 TYR A 9 -7.538 1.883 3.291 1.00 14.01 H new ATOM 0 HE2 TYR A 9 -7.949 2.842 7.408 1.00 14.04 H new ATOM 0 HH TYR A 9 -6.600 0.752 4.984 1.00 62.13 H new ATOM 173 N PRO A 10 -12.392 5.417 1.781 1.00 21.33 N ATOM 174 CA PRO A 10 -12.409 5.499 0.332 1.00 5.43 C ATOM 175 C PRO A 10 -10.989 5.443 -0.237 1.00 23.30 C ATOM 176 O PRO A 10 -10.019 5.362 0.514 1.00 24.20 O ATOM 177 CB PRO A 10 -13.123 6.804 0.018 1.00 2.54 C ATOM 178 CG PRO A 10 -13.068 7.626 1.295 1.00 23.32 C ATOM 179 CD PRO A 10 -12.654 6.700 2.428 1.00 44.44 C ATOM 0 HA PRO A 10 -12.925 4.658 -0.130 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.636 7.327 -0.805 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -14.154 6.622 -0.285 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -12.356 8.445 1.192 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -14.040 8.073 1.503 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.768 7.073 2.941 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -13.442 6.613 3.176 1.00 44.44 H new ATOM 187 N PHE A 11 -10.913 5.490 -1.559 1.00 12.11 N ATOM 188 CA PHE A 11 -9.629 5.447 -2.237 1.00 25.15 C ATOM 189 C PHE A 11 -8.856 6.751 -2.032 1.00 3.34 C ATOM 190 O PHE A 11 -7.641 6.733 -1.844 1.00 13.02 O ATOM 191 CB PHE A 11 -9.916 5.267 -3.729 1.00 73.12 C ATOM 192 CG PHE A 11 -8.705 5.515 -4.631 1.00 53.51 C ATOM 193 CD1 PHE A 11 -8.293 6.786 -4.883 1.00 64.31 C ATOM 194 CD2 PHE A 11 -8.040 4.463 -5.180 1.00 3.24 C ATOM 195 CE1 PHE A 11 -7.169 7.015 -5.719 1.00 0.24 C ATOM 196 CE2 PHE A 11 -6.916 4.692 -6.017 1.00 60.21 C ATOM 197 CZ PHE A 11 -6.504 5.963 -6.269 1.00 72.02 C ATOM 0 H PHE A 11 -11.720 5.557 -2.179 1.00 12.11 H new ATOM 0 HA PHE A 11 -9.025 4.632 -1.838 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -10.281 4.254 -3.899 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.717 5.947 -4.019 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -8.821 7.621 -4.447 1.00 64.31 H new ATOM 0 HD2 PHE A 11 -8.367 3.453 -4.979 1.00 3.24 H new ATOM 0 HE1 PHE A 11 -6.841 8.025 -5.919 1.00 0.24 H new ATOM 0 HE2 PHE A 11 -6.388 3.857 -6.453 1.00 60.21 H new ATOM 0 HZ PHE A 11 -5.649 6.138 -6.906 1.00 72.02 H new ATOM 207 N GLU A 12 -9.593 7.852 -2.076 1.00 32.21 N ATOM 208 CA GLU A 12 -8.992 9.162 -1.898 1.00 43.50 C ATOM 209 C GLU A 12 -8.409 9.292 -0.489 1.00 41.32 C ATOM 210 O GLU A 12 -7.687 10.243 -0.197 1.00 72.13 O ATOM 211 CB GLU A 12 -10.006 10.273 -2.176 1.00 61.12 C ATOM 212 CG GLU A 12 -10.364 10.328 -3.663 1.00 72.25 C ATOM 213 CD GLU A 12 -11.518 11.302 -3.912 1.00 53.25 C ATOM 214 OE1 GLU A 12 -11.385 12.503 -3.639 1.00 30.14 O ATOM 215 OE2 GLU A 12 -12.582 10.770 -4.411 1.00 20.32 O ATOM 0 H GLU A 12 -10.601 7.863 -2.232 1.00 32.21 H new ATOM 0 HA GLU A 12 -8.180 9.268 -2.617 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -10.907 10.103 -1.587 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -9.595 11.232 -1.861 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -9.492 10.636 -4.240 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -10.641 9.333 -4.011 1.00 72.25 H new ATOM 223 N LYS A 13 -8.747 8.321 0.348 1.00 5.43 N ATOM 224 CA LYS A 13 -8.267 8.314 1.719 1.00 64.41 C ATOM 225 C LYS A 13 -6.898 7.632 1.774 1.00 40.34 C ATOM 226 O LYS A 13 -5.918 8.231 2.211 1.00 3.22 O ATOM 227 CB LYS A 13 -9.305 7.684 2.648 1.00 65.01 C ATOM 228 CG LYS A 13 -8.733 7.474 4.050 1.00 14.12 C ATOM 229 CD LYS A 13 -9.454 8.353 5.075 1.00 72.31 C ATOM 230 CE LYS A 13 -8.977 9.803 4.984 1.00 2.41 C ATOM 231 NZ LYS A 13 -9.235 10.515 6.256 1.00 34.20 N ATOM 0 H LYS A 13 -9.348 7.534 0.102 1.00 5.43 H new ATOM 0 HA LYS A 13 -8.130 9.334 2.078 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -10.185 8.325 2.703 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -9.632 6.728 2.238 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -8.830 6.426 4.333 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -7.668 7.707 4.051 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -10.530 8.309 4.905 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -9.274 7.969 6.079 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -7.911 9.828 4.756 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -9.489 10.310 4.166 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -8.905 11.498 6.177 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -10.255 10.507 6.457 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -8.726 10.040 7.029 1.00 34.20 H new ATOM 245 N ARG A 14 -6.876 6.386 1.322 1.00 61.35 N ATOM 246 CA ARG A 14 -5.646 5.616 1.313 1.00 70.54 C ATOM 247 C ARG A 14 -4.615 6.270 0.391 1.00 72.40 C ATOM 248 O ARG A 14 -3.447 6.402 0.754 1.00 21.25 O ATOM 249 CB ARG A 14 -5.897 4.180 0.847 1.00 65.45 C ATOM 250 CG ARG A 14 -6.211 4.137 -0.650 1.00 13.40 C ATOM 251 CD ARG A 14 -6.673 2.740 -1.073 1.00 22.22 C ATOM 252 NE ARG A 14 -7.661 2.845 -2.171 1.00 41.21 N ATOM 253 CZ ARG A 14 -8.621 1.928 -2.413 1.00 43.14 C ATOM 254 NH1 ARG A 14 -8.732 0.830 -1.637 1.00 33.03 N ATOM 255 NH2 ARG A 14 -9.452 2.122 -3.420 1.00 2.22 N ATOM 0 H ARG A 14 -7.691 5.892 0.960 1.00 61.35 H new ATOM 0 HA ARG A 14 -5.263 5.594 2.333 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -5.020 3.567 1.056 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -6.727 3.751 1.409 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -6.986 4.867 -0.884 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -5.325 4.419 -1.219 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -5.818 2.148 -1.398 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -7.116 2.221 -0.223 1.00 22.22 H new ATOM 0 HE ARG A 14 -7.613 3.660 -2.782 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -8.087 0.688 -0.860 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -9.461 0.142 -1.828 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -9.363 2.955 -4.002 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -10.183 1.439 -3.617 1.00 2.22 H new ATOM 269 N LYS A 15 -5.085 6.664 -0.783 1.00 2.20 N ATOM 270 CA LYS A 15 -4.219 7.302 -1.761 1.00 31.35 C ATOM 271 C LYS A 15 -3.398 8.393 -1.072 1.00 5.31 C ATOM 272 O LYS A 15 -2.212 8.555 -1.358 1.00 31.23 O ATOM 273 CB LYS A 15 -5.036 7.807 -2.951 1.00 63.02 C ATOM 274 CG LYS A 15 -5.509 9.245 -2.721 1.00 33.43 C ATOM 275 CD LYS A 15 -6.228 9.791 -3.957 1.00 1.00 C ATOM 276 CE LYS A 15 -6.813 11.178 -3.683 1.00 21.04 C ATOM 277 NZ LYS A 15 -7.351 11.768 -4.929 1.00 61.42 N ATOM 0 H LYS A 15 -6.055 6.554 -1.080 1.00 2.20 H new ATOM 0 HA LYS A 15 -3.512 6.581 -2.172 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -4.432 7.759 -3.857 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -5.897 7.158 -3.107 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -6.179 9.278 -1.862 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -4.655 9.879 -2.483 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -5.531 9.845 -4.793 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -7.025 9.108 -4.250 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -7.604 11.105 -2.937 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -6.043 11.829 -3.268 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -8.252 12.247 -4.726 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -6.671 12.457 -5.309 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -7.509 11.016 -5.629 1.00 61.42 H new ATOM 291 N ALA A 16 -4.059 9.111 -0.177 1.00 43.45 N ATOM 292 CA ALA A 16 -3.404 10.182 0.555 1.00 33.41 C ATOM 293 C ALA A 16 -2.369 9.583 1.510 1.00 52.13 C ATOM 294 O ALA A 16 -1.314 10.174 1.739 1.00 11.03 O ATOM 295 CB ALA A 16 -4.456 11.019 1.287 1.00 50.03 C ATOM 0 H ALA A 16 -5.042 8.972 0.058 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.876 10.847 -0.129 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -3.964 11.822 1.836 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -5.150 11.446 0.563 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -5.004 10.386 1.984 1.00 50.03 H new ATOM 301 N GLU A 17 -2.706 8.416 2.040 1.00 45.42 N ATOM 302 CA GLU A 17 -1.818 7.730 2.963 1.00 11.22 C ATOM 303 C GLU A 17 -0.522 7.329 2.256 1.00 13.51 C ATOM 304 O GLU A 17 0.560 7.429 2.833 1.00 44.12 O ATOM 305 CB GLU A 17 -2.506 6.510 3.581 1.00 32.21 C ATOM 306 CG GLU A 17 -1.590 5.816 4.591 1.00 41.44 C ATOM 307 CD GLU A 17 -1.054 6.815 5.620 1.00 1.55 C ATOM 308 OE1 GLU A 17 0.134 6.765 5.972 1.00 64.25 O ATOM 309 OE2 GLU A 17 -1.919 7.665 6.056 1.00 63.21 O ATOM 0 H GLU A 17 -3.581 7.929 1.848 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.569 8.415 3.773 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -3.428 6.819 4.073 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -2.784 5.808 2.795 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -2.138 5.023 5.100 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -0.758 5.344 4.069 1.00 41.44 H new ATOM 317 N SER A 18 -0.675 6.884 1.017 1.00 32.43 N ATOM 318 CA SER A 18 0.471 6.469 0.226 1.00 63.41 C ATOM 319 C SER A 18 1.247 7.695 -0.256 1.00 73.40 C ATOM 320 O SER A 18 2.402 7.582 -0.665 1.00 73.04 O ATOM 321 CB SER A 18 0.034 5.616 -0.967 1.00 72.20 C ATOM 322 OG SER A 18 -1.366 5.719 -1.213 1.00 23.24 O ATOM 0 H SER A 18 -1.574 6.802 0.542 1.00 32.43 H new ATOM 0 HA SER A 18 1.120 5.862 0.857 1.00 63.41 H new ATOM 0 HB2 SER A 18 0.582 5.928 -1.856 1.00 72.20 H new ATOM 0 HB3 SER A 18 0.294 4.574 -0.782 1.00 72.20 H new ATOM 0 HG SER A 18 -1.517 5.948 -2.154 1.00 23.24 H new ATOM 328 N GLU A 19 0.584 8.840 -0.190 1.00 72.31 N ATOM 329 CA GLU A 19 1.198 10.087 -0.613 1.00 1.34 C ATOM 330 C GLU A 19 2.209 10.563 0.433 1.00 3.30 C ATOM 331 O GLU A 19 3.143 11.294 0.111 1.00 22.02 O ATOM 332 CB GLU A 19 0.139 11.158 -0.880 1.00 51.31 C ATOM 333 CG GLU A 19 -0.656 10.840 -2.147 1.00 25.43 C ATOM 334 CD GLU A 19 -0.520 11.964 -3.175 1.00 10.12 C ATOM 335 OE1 GLU A 19 -1.482 12.261 -3.901 1.00 65.44 O ATOM 336 OE2 GLU A 19 0.634 12.540 -3.206 1.00 13.54 O ATOM 0 H GLU A 19 -0.373 8.930 0.150 1.00 72.31 H new ATOM 0 HA GLU A 19 1.729 9.908 -1.548 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.538 11.225 -0.029 1.00 51.31 H new ATOM 0 HB3 GLU A 19 0.619 12.131 -0.982 1.00 51.31 H new ATOM 0 HG2 GLU A 19 -0.302 9.903 -2.578 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -1.707 10.698 -1.895 1.00 25.43 H new ATOM 344 N ARG A 20 1.987 10.128 1.664 1.00 64.42 N ATOM 345 CA ARG A 20 2.864 10.501 2.760 1.00 61.32 C ATOM 346 C ARG A 20 3.818 9.351 3.091 1.00 72.54 C ATOM 347 O ARG A 20 4.949 9.581 3.518 1.00 12.42 O ATOM 348 CB ARG A 20 2.063 10.865 4.012 1.00 21.21 C ATOM 349 CG ARG A 20 1.205 9.685 4.474 1.00 4.23 C ATOM 350 CD ARG A 20 0.492 10.007 5.789 1.00 54.55 C ATOM 351 NE ARG A 20 1.378 9.698 6.933 1.00 51.32 N ATOM 352 CZ ARG A 20 1.127 10.069 8.207 1.00 55.13 C ATOM 353 NH1 ARG A 20 0.013 10.768 8.510 1.00 61.44 N ATOM 354 NH2 ARG A 20 1.987 9.739 9.152 1.00 74.03 N ATOM 0 H ARG A 20 1.211 9.520 1.927 1.00 64.42 H new ATOM 0 HA ARG A 20 3.435 11.374 2.443 1.00 61.32 H new ATOM 0 HB2 ARG A 20 2.743 11.160 4.811 1.00 21.21 H new ATOM 0 HB3 ARG A 20 1.425 11.724 3.803 1.00 21.21 H new ATOM 0 HG2 ARG A 20 0.469 9.443 3.707 1.00 4.23 H new ATOM 0 HG3 ARG A 20 1.832 8.803 4.603 1.00 4.23 H new ATOM 0 HD2 ARG A 20 0.210 11.060 5.811 1.00 54.55 H new ATOM 0 HD3 ARG A 20 -0.429 9.428 5.864 1.00 54.55 H new ATOM 0 HE ARG A 20 2.232 9.172 6.748 1.00 51.32 H new ATOM 0 HH11 ARG A 20 -0.647 11.020 7.774 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -0.169 11.044 9.475 1.00 61.44 H new ATOM 0 HH21 ARG A 20 2.827 9.211 8.915 1.00 74.03 H new ATOM 0 HH22 ARG A 20 1.812 10.012 10.119 1.00 74.03 H new ATOM 368 N ILE A 21 3.328 8.139 2.881 1.00 62.20 N ATOM 369 CA ILE A 21 4.122 6.952 3.150 1.00 14.54 C ATOM 370 C ILE A 21 5.329 6.928 2.211 1.00 33.24 C ATOM 371 O ILE A 21 6.313 6.240 2.477 1.00 12.23 O ATOM 372 CB ILE A 21 3.254 5.696 3.069 1.00 70.13 C ATOM 373 CG1 ILE A 21 2.531 5.441 4.393 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.078 4.486 2.624 1.00 40.52 C ATOM 375 CD1 ILE A 21 1.852 4.070 4.393 1.00 64.42 C ATOM 0 H ILE A 21 2.390 7.953 2.527 1.00 62.20 H new ATOM 0 HA ILE A 21 4.510 6.976 4.168 1.00 14.54 H new ATOM 0 HB ILE A 21 2.488 5.860 2.311 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.243 5.498 5.217 1.00 52.51 H new ATOM 0 HG13 ILE A 21 1.786 6.219 4.560 1.00 52.51 H new ATOM 0 HG21 ILE A 21 3.436 3.607 2.575 1.00 40.52 H new ATOM 0 HG22 ILE A 21 4.505 4.679 1.640 1.00 40.52 H new ATOM 0 HG23 ILE A 21 4.881 4.309 3.340 1.00 40.52 H new ATOM 0 HD11 ILE A 21 1.346 3.915 5.346 1.00 64.42 H new ATOM 0 HD12 ILE A 21 1.124 4.025 3.583 1.00 64.42 H new ATOM 0 HD13 ILE A 21 2.602 3.292 4.250 1.00 64.42 H new ATOM 387 N ALA A 22 5.214 7.686 1.131 1.00 53.32 N ATOM 388 CA ALA A 22 6.284 7.760 0.149 1.00 24.25 C ATOM 389 C ALA A 22 7.406 8.647 0.691 1.00 24.12 C ATOM 390 O ALA A 22 8.514 8.648 0.159 1.00 11.34 O ATOM 391 CB ALA A 22 5.724 8.272 -1.178 1.00 5.11 C ATOM 0 H ALA A 22 4.396 8.255 0.913 1.00 53.32 H new ATOM 0 HA ALA A 22 6.706 6.772 -0.036 1.00 24.25 H new ATOM 0 HB1 ALA A 22 6.526 8.328 -1.914 1.00 5.11 H new ATOM 0 HB2 ALA A 22 4.951 7.591 -1.534 1.00 5.11 H new ATOM 0 HB3 ALA A 22 5.295 9.264 -1.033 1.00 5.11 H new ATOM 397 N ASP A 23 7.078 9.385 1.743 1.00 25.10 N ATOM 398 CA ASP A 23 8.044 10.275 2.362 1.00 52.05 C ATOM 399 C ASP A 23 8.525 9.664 3.680 1.00 73.32 C ATOM 400 O ASP A 23 9.706 9.746 4.012 1.00 52.31 O ATOM 401 CB ASP A 23 7.418 11.637 2.673 1.00 42.33 C ATOM 402 CG ASP A 23 8.392 12.689 3.206 1.00 74.04 C ATOM 403 OD1 ASP A 23 8.496 12.907 4.423 1.00 25.13 O ATOM 404 OD2 ASP A 23 9.073 13.309 2.303 1.00 10.42 O ATOM 0 H ASP A 23 6.157 9.384 2.181 1.00 25.10 H new ATOM 0 HA ASP A 23 8.872 10.409 1.666 1.00 52.05 H new ATOM 0 HB2 ASP A 23 6.952 12.022 1.766 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.623 11.496 3.405 1.00 42.33 H new ATOM 410 N ARG A 24 7.584 9.063 4.393 1.00 2.03 N ATOM 411 CA ARG A 24 7.896 8.438 5.668 1.00 72.20 C ATOM 412 C ARG A 24 8.782 7.208 5.452 1.00 42.41 C ATOM 413 O ARG A 24 9.807 7.054 6.115 1.00 42.21 O ATOM 414 CB ARG A 24 6.622 8.017 6.402 1.00 3.23 C ATOM 415 CG ARG A 24 6.170 9.102 7.381 1.00 41.44 C ATOM 416 CD ARG A 24 6.938 9.001 8.702 1.00 53.35 C ATOM 417 NE ARG A 24 6.479 7.821 9.466 1.00 3.11 N ATOM 418 CZ ARG A 24 5.442 7.835 10.330 1.00 64.41 C ATOM 419 NH1 ARG A 24 4.746 8.971 10.548 1.00 24.30 N ATOM 420 NH2 ARG A 24 5.118 6.721 10.960 1.00 54.54 N ATOM 0 H ARG A 24 6.606 8.995 4.113 1.00 2.03 H new ATOM 0 HA ARG A 24 8.426 9.171 6.276 1.00 72.20 H new ATOM 0 HB2 ARG A 24 5.830 7.821 5.680 1.00 3.23 H new ATOM 0 HB3 ARG A 24 6.799 7.086 6.941 1.00 3.23 H new ATOM 0 HG2 ARG A 24 6.328 10.085 6.938 1.00 41.44 H new ATOM 0 HG3 ARG A 24 5.101 9.005 7.569 1.00 41.44 H new ATOM 0 HD2 ARG A 24 8.007 8.923 8.505 1.00 53.35 H new ATOM 0 HD3 ARG A 24 6.787 9.906 9.290 1.00 53.35 H new ATOM 0 HE ARG A 24 6.977 6.941 9.332 1.00 3.11 H new ATOM 0 HH11 ARG A 24 5.002 9.828 10.058 1.00 24.30 H new ATOM 0 HH12 ARG A 24 3.964 8.972 11.203 1.00 24.30 H new ATOM 0 HH21 ARG A 24 5.649 5.867 10.791 1.00 54.54 H new ATOM 0 HH22 ARG A 24 4.337 6.715 11.616 1.00 54.54 H new ATOM 434 N PHE A 25 8.354 6.366 4.523 1.00 64.32 N ATOM 435 CA PHE A 25 9.096 5.155 4.213 1.00 21.45 C ATOM 436 C PHE A 25 9.237 4.972 2.700 1.00 22.31 C ATOM 437 O PHE A 25 8.528 4.164 2.101 1.00 4.20 O ATOM 438 CB PHE A 25 8.296 3.983 4.785 1.00 21.33 C ATOM 439 CG PHE A 25 7.528 4.319 6.065 1.00 40.00 C ATOM 440 CD1 PHE A 25 6.261 4.802 5.990 1.00 31.32 C ATOM 441 CD2 PHE A 25 8.116 4.133 7.278 1.00 62.14 C ATOM 442 CE1 PHE A 25 5.547 5.113 7.179 1.00 64.13 C ATOM 443 CE2 PHE A 25 7.402 4.445 8.466 1.00 33.12 C ATOM 444 CZ PHE A 25 6.133 4.928 8.391 1.00 35.34 C ATOM 0 H PHE A 25 7.504 6.498 3.975 1.00 64.32 H new ATOM 0 HA PHE A 25 10.097 5.211 4.640 1.00 21.45 H new ATOM 0 HB2 PHE A 25 7.590 3.636 4.031 1.00 21.33 H new ATOM 0 HB3 PHE A 25 8.977 3.157 4.989 1.00 21.33 H new ATOM 0 HD1 PHE A 25 5.796 4.950 5.027 1.00 31.32 H new ATOM 0 HD2 PHE A 25 9.124 3.749 7.338 1.00 62.14 H new ATOM 0 HE1 PHE A 25 4.539 5.496 7.119 1.00 64.13 H new ATOM 0 HE2 PHE A 25 7.867 4.298 9.429 1.00 33.12 H new ATOM 0 HZ PHE A 25 5.591 5.165 9.295 1.00 35.34 H new ATOM 454 N PRO A 26 10.180 5.753 2.112 1.00 41.11 N ATOM 455 CA PRO A 26 10.423 5.686 0.682 1.00 13.25 C ATOM 456 C PRO A 26 11.197 4.417 0.317 1.00 62.02 C ATOM 457 O PRO A 26 11.115 3.938 -0.812 1.00 74.20 O ATOM 458 CB PRO A 26 11.182 6.961 0.349 1.00 14.12 C ATOM 459 CG PRO A 26 11.740 7.469 1.668 1.00 11.53 C ATOM 460 CD PRO A 26 11.038 6.721 2.790 1.00 22.31 C ATOM 0 HA PRO A 26 9.502 5.625 0.102 1.00 13.25 H new ATOM 0 HB2 PRO A 26 11.983 6.764 -0.364 1.00 14.12 H new ATOM 0 HB3 PRO A 26 10.523 7.700 -0.107 1.00 14.12 H new ATOM 0 HG2 PRO A 26 12.817 7.305 1.715 1.00 11.53 H new ATOM 0 HG3 PRO A 26 11.576 8.542 1.764 1.00 11.53 H new ATOM 0 HD2 PRO A 26 11.755 6.225 3.444 1.00 22.31 H new ATOM 0 HD3 PRO A 26 10.455 7.399 3.413 1.00 22.31 H new ATOM 468 N ASN A 27 11.933 3.909 1.295 1.00 3.54 N ATOM 469 CA ASN A 27 12.722 2.706 1.090 1.00 53.31 C ATOM 470 C ASN A 27 11.891 1.485 1.489 1.00 42.04 C ATOM 471 O ASN A 27 12.442 0.425 1.786 1.00 41.30 O ATOM 472 CB ASN A 27 13.984 2.722 1.956 1.00 71.12 C ATOM 473 CG ASN A 27 14.729 4.051 1.813 1.00 53.14 C ATOM 474 OD1 ASN A 27 14.825 4.627 0.742 1.00 72.44 O ATOM 475 ND2 ASN A 27 15.249 4.504 2.951 1.00 54.31 N ATOM 0 H ASN A 27 11.999 4.308 2.231 1.00 3.54 H new ATOM 0 HA ASN A 27 13.006 2.662 0.039 1.00 53.31 H new ATOM 0 HB2 ASN A 27 13.715 2.562 3.000 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.639 1.900 1.666 1.00 71.12 H new ATOM 0 HD21 ASN A 27 15.765 5.384 2.961 1.00 54.31 H new ATOM 0 HD22 ASN A 27 15.131 3.972 3.813 1.00 54.31 H new ATOM 482 N ARG A 28 10.579 1.672 1.483 1.00 14.04 N ATOM 483 CA ARG A 28 9.669 0.598 1.841 1.00 70.34 C ATOM 484 C ARG A 28 8.827 0.191 0.629 1.00 20.11 C ATOM 485 O ARG A 28 9.009 0.724 -0.464 1.00 11.54 O ATOM 486 CB ARG A 28 8.739 1.021 2.980 1.00 32.42 C ATOM 487 CG ARG A 28 9.443 0.909 4.334 1.00 75.13 C ATOM 488 CD ARG A 28 10.005 -0.499 4.544 1.00 41.41 C ATOM 489 NE ARG A 28 9.997 -0.836 5.986 1.00 33.42 N ATOM 490 CZ ARG A 28 10.769 -0.225 6.909 1.00 25.54 C ATOM 491 NH1 ARG A 28 11.619 0.759 6.551 1.00 25.31 N ATOM 492 NH2 ARG A 28 10.682 -0.607 8.171 1.00 71.52 N ATOM 0 H ARG A 28 10.125 2.551 1.236 1.00 14.04 H new ATOM 0 HA ARG A 28 10.269 -0.249 2.173 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.408 2.048 2.822 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.847 0.395 2.977 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.251 1.639 4.390 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.742 1.148 5.134 1.00 75.13 H new ATOM 0 HD2 ARG A 28 9.410 -1.224 3.989 1.00 41.41 H new ATOM 0 HD3 ARG A 28 11.021 -0.556 4.154 1.00 41.41 H new ATOM 0 HE ARG A 28 9.369 -1.576 6.301 1.00 33.42 H new ATOM 0 HH11 ARG A 28 11.683 1.048 5.575 1.00 25.31 H new ATOM 0 HH12 ARG A 28 12.198 1.214 7.256 1.00 25.31 H new ATOM 0 HH21 ARG A 28 10.039 -1.353 8.435 1.00 71.52 H new ATOM 0 HH22 ARG A 28 11.258 -0.156 8.881 1.00 71.52 H new ATOM 506 N ILE A 29 7.925 -0.749 0.865 1.00 73.21 N ATOM 507 CA ILE A 29 7.054 -1.233 -0.193 1.00 73.02 C ATOM 508 C ILE A 29 5.691 -1.593 0.398 1.00 4.10 C ATOM 509 O ILE A 29 5.518 -2.674 0.959 1.00 71.12 O ATOM 510 CB ILE A 29 7.720 -2.385 -0.948 1.00 63.20 C ATOM 511 CG1 ILE A 29 9.043 -1.938 -1.574 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.768 -2.983 -1.987 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.806 -0.907 -2.679 1.00 4.23 C ATOM 0 H ILE A 29 7.778 -1.189 1.773 1.00 73.21 H new ATOM 0 HA ILE A 29 6.884 -0.452 -0.934 1.00 73.02 H new ATOM 0 HB ILE A 29 7.952 -3.173 -0.232 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.687 -1.511 -0.805 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.566 -2.802 -1.984 1.00 33.13 H new ATOM 0 HG21 ILE A 29 7.266 -3.800 -2.509 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.876 -3.362 -1.488 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.483 -2.214 -2.705 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.762 -0.606 -3.107 1.00 4.23 H new ATOM 0 HD12 ILE A 29 8.182 -1.345 -3.458 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.305 -0.034 -2.261 1.00 4.23 H new ATOM 525 N PRO A 30 4.730 -0.641 0.251 1.00 11.44 N ATOM 526 CA PRO A 30 3.386 -0.847 0.764 1.00 41.20 C ATOM 527 C PRO A 30 2.606 -1.822 -0.120 1.00 64.02 C ATOM 528 O PRO A 30 2.724 -1.788 -1.343 1.00 31.24 O ATOM 529 CB PRO A 30 2.767 0.540 0.810 1.00 23.13 C ATOM 530 CG PRO A 30 3.612 1.406 -0.109 1.00 14.13 C ATOM 531 CD PRO A 30 4.898 0.651 -0.407 1.00 23.23 C ATOM 0 HA PRO A 30 3.378 -1.305 1.753 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.729 0.515 0.478 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.767 0.934 1.826 1.00 23.13 H new ATOM 0 HG2 PRO A 30 3.074 1.622 -1.032 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.832 2.363 0.364 1.00 14.13 H new ATOM 0 HD2 PRO A 30 5.048 0.532 -1.480 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.768 1.182 -0.020 1.00 23.23 H new ATOM 539 N VAL A 31 1.823 -2.667 0.535 1.00 35.55 N ATOM 540 CA VAL A 31 1.023 -3.650 -0.175 1.00 53.01 C ATOM 541 C VAL A 31 -0.115 -4.125 0.730 1.00 30.13 C ATOM 542 O VAL A 31 0.008 -4.101 1.953 1.00 73.51 O ATOM 543 CB VAL A 31 1.913 -4.793 -0.667 1.00 32.41 C ATOM 544 CG1 VAL A 31 2.712 -5.402 0.487 1.00 75.34 C ATOM 545 CG2 VAL A 31 1.086 -5.862 -1.386 1.00 45.11 C ATOM 0 H VAL A 31 1.726 -2.691 1.550 1.00 35.55 H new ATOM 0 HA VAL A 31 0.570 -3.205 -1.061 1.00 53.01 H new ATOM 0 HB VAL A 31 2.622 -4.380 -1.384 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.336 -6.212 0.110 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.344 -4.636 0.936 1.00 75.34 H new ATOM 0 HG13 VAL A 31 2.026 -5.793 1.238 1.00 75.34 H new ATOM 0 HG21 VAL A 31 1.743 -6.663 -1.726 1.00 45.11 H new ATOM 0 HG22 VAL A 31 0.342 -6.269 -0.701 1.00 45.11 H new ATOM 0 HG23 VAL A 31 0.583 -5.417 -2.244 1.00 45.11 H new ATOM 555 N ILE A 32 -1.198 -4.547 0.094 1.00 65.24 N ATOM 556 CA ILE A 32 -2.357 -5.027 0.826 1.00 51.12 C ATOM 557 C ILE A 32 -2.534 -6.524 0.568 1.00 43.11 C ATOM 558 O ILE A 32 -2.796 -6.936 -0.561 1.00 14.33 O ATOM 559 CB ILE A 32 -3.592 -4.193 0.480 1.00 11.34 C ATOM 560 CG1 ILE A 32 -3.276 -2.696 0.533 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.772 -4.560 1.383 1.00 63.41 C ATOM 562 CD1 ILE A 32 -2.887 -2.267 1.949 1.00 50.14 C ATOM 0 H ILE A 32 -1.297 -4.566 -0.921 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.208 -4.904 1.899 1.00 51.12 H new ATOM 0 HB ILE A 32 -3.884 -4.425 -0.544 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -2.463 -2.468 -0.156 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -4.144 -2.126 0.202 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.637 -3.953 1.116 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -5.015 -5.615 1.253 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.505 -4.374 2.423 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.668 -1.199 1.958 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -3.711 -2.474 2.631 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -2.004 -2.822 2.268 1.00 50.14 H new ATOM 574 N CYS A 33 -2.384 -7.297 1.633 1.00 2.21 N ATOM 575 CA CYS A 33 -2.524 -8.741 1.536 1.00 35.42 C ATOM 576 C CYS A 33 -3.987 -9.101 1.799 1.00 3.32 C ATOM 577 O CYS A 33 -4.477 -8.947 2.917 1.00 43.20 O ATOM 578 CB CYS A 33 -1.577 -9.467 2.493 1.00 33.30 C ATOM 579 SG CYS A 33 -1.027 -11.047 1.750 1.00 13.01 S ATOM 0 H CYS A 33 -2.167 -6.951 2.568 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.245 -9.069 0.535 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.714 -8.838 2.711 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -2.080 -9.657 3.441 1.00 33.30 H new ATOM 0 HG CYS A 33 -1.912 -11.969 1.986 1.00 13.01 H new ATOM 585 N GLU A 34 -4.645 -9.572 0.749 1.00 15.11 N ATOM 586 CA GLU A 34 -6.044 -9.954 0.854 1.00 60.01 C ATOM 587 C GLU A 34 -6.196 -11.465 0.665 1.00 42.00 C ATOM 588 O GLU A 34 -5.368 -12.100 0.012 1.00 21.50 O ATOM 589 CB GLU A 34 -6.898 -9.187 -0.157 1.00 74.13 C ATOM 590 CG GLU A 34 -8.370 -9.593 -0.051 1.00 21.12 C ATOM 591 CD GLU A 34 -9.219 -8.858 -1.090 1.00 33.02 C ATOM 592 OE1 GLU A 34 -10.446 -9.035 -1.128 1.00 61.31 O ATOM 593 OE2 GLU A 34 -8.559 -8.079 -1.880 1.00 64.42 O ATOM 0 H GLU A 34 -4.236 -9.698 -0.177 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.399 -9.694 1.851 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -6.799 -8.115 0.017 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -6.535 -9.381 -1.166 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -8.465 -10.669 -0.194 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -8.741 -9.371 0.950 1.00 21.12 H new ATOM 601 N LYS A 35 -7.259 -11.998 1.247 1.00 12.15 N ATOM 602 CA LYS A 35 -7.531 -13.421 1.151 1.00 74.11 C ATOM 603 C LYS A 35 -8.462 -13.682 -0.036 1.00 65.13 C ATOM 604 O LYS A 35 -9.567 -13.146 -0.091 1.00 52.34 O ATOM 605 CB LYS A 35 -8.067 -13.956 2.481 1.00 54.43 C ATOM 606 CG LYS A 35 -9.289 -14.851 2.260 1.00 11.23 C ATOM 607 CD LYS A 35 -8.884 -16.187 1.635 1.00 11.40 C ATOM 608 CE LYS A 35 -10.045 -17.184 1.673 1.00 71.14 C ATOM 609 NZ LYS A 35 -10.193 -17.856 0.361 1.00 23.43 N ATOM 0 H LYS A 35 -7.943 -11.469 1.788 1.00 12.15 H new ATOM 0 HA LYS A 35 -6.609 -13.971 0.960 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.286 -14.520 2.991 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -8.335 -13.123 3.131 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -9.791 -15.028 3.211 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -10.003 -14.344 1.612 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -8.569 -16.029 0.604 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -8.029 -16.599 2.170 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -9.869 -17.927 2.451 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -10.969 -16.666 1.930 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -11.178 -18.168 0.240 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -9.944 -17.192 -0.399 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -9.561 -18.681 0.320 1.00 23.43 H new ATOM 623 N ALA A 36 -7.979 -14.502 -0.957 1.00 44.15 N ATOM 624 CA ALA A 36 -8.754 -14.838 -2.140 1.00 42.21 C ATOM 625 C ALA A 36 -10.133 -15.344 -1.714 1.00 35.03 C ATOM 626 O ALA A 36 -10.389 -15.536 -0.525 1.00 61.54 O ATOM 627 CB ALA A 36 -7.989 -15.866 -2.976 1.00 55.13 C ATOM 0 H ALA A 36 -7.061 -14.944 -0.909 1.00 44.15 H new ATOM 0 HA ALA A 36 -8.904 -13.957 -2.764 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -8.570 -16.118 -3.863 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -7.029 -15.448 -3.278 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -7.823 -16.766 -2.383 1.00 55.13 H new ATOM 633 N GLU A 37 -10.988 -15.543 -2.707 1.00 33.15 N ATOM 634 CA GLU A 37 -12.335 -16.024 -2.449 1.00 72.10 C ATOM 635 C GLU A 37 -12.404 -17.539 -2.643 1.00 21.01 C ATOM 636 O GLU A 37 -12.940 -18.253 -1.795 1.00 64.00 O ATOM 637 CB GLU A 37 -13.351 -15.309 -3.343 1.00 2.12 C ATOM 638 CG GLU A 37 -13.147 -15.685 -4.812 1.00 54.13 C ATOM 639 CD GLU A 37 -14.039 -14.837 -5.723 1.00 3.31 C ATOM 640 OE1 GLU A 37 -13.712 -14.642 -6.903 1.00 60.30 O ATOM 641 OE2 GLU A 37 -15.106 -14.373 -5.164 1.00 23.54 O ATOM 0 H GLU A 37 -10.774 -15.380 -3.691 1.00 33.15 H new ATOM 0 HA GLU A 37 -12.589 -15.799 -1.413 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -14.362 -15.572 -3.033 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -13.251 -14.230 -3.223 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -12.102 -15.543 -5.086 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -13.374 -16.741 -4.956 1.00 54.13 H new ATOM 649 N LYS A 38 -11.856 -17.987 -3.764 1.00 32.50 N ATOM 650 CA LYS A 38 -11.850 -19.405 -4.079 1.00 70.13 C ATOM 651 C LYS A 38 -11.267 -20.183 -2.897 1.00 34.33 C ATOM 652 O LYS A 38 -11.832 -21.189 -2.471 1.00 61.34 O ATOM 653 CB LYS A 38 -11.122 -19.657 -5.401 1.00 31.21 C ATOM 654 CG LYS A 38 -11.562 -18.654 -6.467 1.00 30.31 C ATOM 655 CD LYS A 38 -11.296 -19.197 -7.873 1.00 62.11 C ATOM 656 CE LYS A 38 -10.887 -18.074 -8.828 1.00 24.23 C ATOM 657 NZ LYS A 38 -9.816 -17.249 -8.227 1.00 2.33 N ATOM 0 H LYS A 38 -11.413 -17.393 -4.465 1.00 32.50 H new ATOM 0 HA LYS A 38 -12.867 -19.767 -4.228 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -10.045 -19.582 -5.248 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -11.325 -20.671 -5.745 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -12.624 -18.438 -6.352 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -11.028 -17.714 -6.329 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -10.508 -19.949 -7.833 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -12.191 -19.692 -8.251 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -10.542 -18.498 -9.771 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -11.751 -17.450 -9.056 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -9.184 -16.902 -8.976 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -10.239 -16.440 -7.728 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -9.271 -17.824 -7.553 1.00 2.33 H new ATOM 671 N SER A 39 -10.142 -19.688 -2.400 1.00 31.52 N ATOM 672 CA SER A 39 -9.476 -20.324 -1.278 1.00 23.13 C ATOM 673 C SER A 39 -10.485 -20.610 -0.163 1.00 61.22 C ATOM 674 O SER A 39 -11.642 -20.199 -0.249 1.00 52.33 O ATOM 675 CB SER A 39 -8.334 -19.454 -0.749 1.00 23.31 C ATOM 676 OG SER A 39 -8.293 -19.433 0.675 1.00 4.43 O ATOM 0 H SER A 39 -9.676 -18.853 -2.755 1.00 31.52 H new ATOM 0 HA SER A 39 -9.049 -21.266 -1.624 1.00 23.13 H new ATOM 0 HB2 SER A 39 -7.385 -19.829 -1.133 1.00 23.31 H new ATOM 0 HB3 SER A 39 -8.450 -18.437 -1.123 1.00 23.31 H new ATOM 0 HG SER A 39 -7.785 -18.651 0.976 1.00 4.43 H new ATOM 682 N ASP A 40 -10.011 -21.310 0.857 1.00 65.12 N ATOM 683 CA ASP A 40 -10.857 -21.655 1.986 1.00 2.54 C ATOM 684 C ASP A 40 -10.074 -21.455 3.284 1.00 55.42 C ATOM 685 O ASP A 40 -10.439 -22.002 4.324 1.00 54.00 O ATOM 686 CB ASP A 40 -11.298 -23.118 1.918 1.00 11.34 C ATOM 687 CG ASP A 40 -12.655 -23.416 2.555 1.00 55.40 C ATOM 688 OD1 ASP A 40 -12.780 -24.307 3.408 1.00 20.22 O ATOM 689 OD2 ASP A 40 -13.627 -22.677 2.137 1.00 14.32 O ATOM 0 H ASP A 40 -9.051 -21.648 0.925 1.00 65.12 H new ATOM 0 HA ASP A 40 -11.737 -21.013 1.956 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -11.330 -23.424 0.872 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -10.542 -23.732 2.407 1.00 11.34 H new ATOM 695 N ILE A 41 -9.010 -20.673 3.182 1.00 65.22 N ATOM 696 CA ILE A 41 -8.170 -20.395 4.335 1.00 75.43 C ATOM 697 C ILE A 41 -8.809 -19.280 5.167 1.00 34.44 C ATOM 698 O ILE A 41 -9.747 -18.624 4.718 1.00 24.44 O ATOM 699 CB ILE A 41 -6.738 -20.090 3.894 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.503 -18.581 3.799 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.403 -20.807 2.585 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.283 -18.272 2.928 1.00 2.30 C ATOM 0 H ILE A 41 -8.710 -20.222 2.318 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.100 -21.273 4.977 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.057 -20.474 4.654 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.386 -18.097 3.381 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.356 -18.168 4.797 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.379 -20.573 2.294 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.504 -21.883 2.724 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.087 -20.476 1.804 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.137 -17.193 2.876 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.398 -18.737 3.363 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -5.444 -18.665 1.924 1.00 2.30 H new ATOM 714 N PRO A 42 -8.259 -19.096 6.398 1.00 50.44 N ATOM 715 CA PRO A 42 -8.764 -18.073 7.297 1.00 24.42 C ATOM 716 C PRO A 42 -8.315 -16.679 6.850 1.00 24.50 C ATOM 717 O PRO A 42 -7.123 -16.435 6.673 1.00 43.12 O ATOM 718 CB PRO A 42 -8.232 -18.456 8.668 1.00 64.40 C ATOM 719 CG PRO A 42 -7.075 -19.408 8.415 1.00 30.21 C ATOM 720 CD PRO A 42 -7.147 -19.854 6.963 1.00 32.44 C ATOM 0 HA PRO A 42 -9.853 -18.023 7.307 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -7.900 -17.575 9.218 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -9.007 -18.933 9.268 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -6.124 -18.915 8.616 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -7.135 -20.268 9.082 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.216 -19.643 6.437 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.320 -20.927 6.886 1.00 32.44 H new ATOM 728 N GLU A 43 -9.294 -15.804 6.679 1.00 42.44 N ATOM 729 CA GLU A 43 -9.016 -14.443 6.257 1.00 50.22 C ATOM 730 C GLU A 43 -8.188 -13.715 7.319 1.00 11.31 C ATOM 731 O GLU A 43 -8.320 -13.992 8.509 1.00 21.42 O ATOM 732 CB GLU A 43 -10.311 -13.684 5.956 1.00 1.13 C ATOM 733 CG GLU A 43 -10.039 -12.462 5.078 1.00 32.10 C ATOM 734 CD GLU A 43 -11.063 -11.355 5.347 1.00 74.43 C ATOM 735 OE1 GLU A 43 -11.635 -10.798 4.399 1.00 70.25 O ATOM 736 OE2 GLU A 43 -11.255 -11.084 6.593 1.00 12.44 O ATOM 0 H GLU A 43 -10.282 -16.012 6.825 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.435 -14.483 5.335 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -11.017 -14.346 5.455 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -10.777 -13.369 6.889 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -9.034 -12.087 5.271 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -10.076 -12.749 4.027 1.00 32.10 H new ATOM 744 N ILE A 44 -7.355 -12.798 6.848 1.00 60.22 N ATOM 745 CA ILE A 44 -6.507 -12.029 7.744 1.00 23.32 C ATOM 746 C ILE A 44 -7.376 -11.081 8.572 1.00 4.52 C ATOM 747 O ILE A 44 -8.566 -10.928 8.302 1.00 3.42 O ATOM 748 CB ILE A 44 -5.401 -11.322 6.958 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.373 -10.694 7.902 1.00 43.41 C ATOM 750 CG2 ILE A 44 -5.989 -10.297 5.986 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.021 -10.528 7.207 1.00 33.21 C ATOM 0 H ILE A 44 -7.249 -12.570 5.859 1.00 60.22 H new ATOM 0 HA ILE A 44 -5.996 -12.688 8.446 1.00 23.32 H new ATOM 0 HB ILE A 44 -4.876 -12.067 6.361 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -4.732 -9.723 8.243 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.257 -11.320 8.787 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.182 -9.809 5.440 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -6.651 -10.801 5.282 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -6.554 -9.550 6.543 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.309 -10.080 7.899 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -2.653 -11.504 6.889 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -3.136 -9.882 6.336 1.00 33.21 H new ATOM 763 N ASP A 45 -6.747 -10.469 9.565 1.00 33.03 N ATOM 764 CA ASP A 45 -7.447 -9.539 10.435 1.00 71.14 C ATOM 765 C ASP A 45 -7.674 -8.223 9.690 1.00 0.43 C ATOM 766 O ASP A 45 -8.765 -7.657 9.741 1.00 74.13 O ATOM 767 CB ASP A 45 -6.628 -9.236 11.691 1.00 41.02 C ATOM 768 CG ASP A 45 -7.431 -8.678 12.868 1.00 61.43 C ATOM 769 OD1 ASP A 45 -8.333 -9.343 13.398 1.00 63.25 O ATOM 770 OD2 ASP A 45 -7.093 -7.491 13.244 1.00 2.34 O ATOM 0 H ASP A 45 -5.760 -10.599 9.786 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.394 -9.995 10.724 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -6.130 -10.151 12.012 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -5.846 -8.522 11.433 1.00 41.02 H new ATOM 776 N LYS A 46 -6.626 -7.773 9.016 1.00 54.04 N ATOM 777 CA LYS A 46 -6.698 -6.533 8.261 1.00 51.14 C ATOM 778 C LYS A 46 -5.856 -6.666 6.991 1.00 4.32 C ATOM 779 O LYS A 46 -5.090 -7.617 6.845 1.00 25.51 O ATOM 780 CB LYS A 46 -6.299 -5.347 9.141 1.00 35.22 C ATOM 781 CG LYS A 46 -5.290 -5.770 10.209 1.00 72.31 C ATOM 782 CD LYS A 46 -3.932 -6.095 9.584 1.00 10.44 C ATOM 783 CE LYS A 46 -3.270 -7.277 10.293 1.00 5.34 C ATOM 784 NZ LYS A 46 -1.900 -7.490 9.776 1.00 3.44 N ATOM 0 H LYS A 46 -5.722 -8.245 8.977 1.00 54.04 H new ATOM 0 HA LYS A 46 -7.723 -6.337 7.946 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -5.870 -4.559 8.522 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -7.186 -4.930 9.619 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -5.175 -4.971 10.942 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -5.666 -6.642 10.744 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -4.061 -6.326 8.527 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -3.283 -5.222 9.642 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -3.235 -7.092 11.367 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -3.865 -8.178 10.144 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -1.832 -8.438 9.354 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -1.686 -6.773 9.054 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -1.218 -7.409 10.557 1.00 3.44 H new ATOM 798 N ARG A 47 -6.029 -5.698 6.101 1.00 22.33 N ATOM 799 CA ARG A 47 -5.295 -5.695 4.847 1.00 73.31 C ATOM 800 C ARG A 47 -4.298 -4.535 4.818 1.00 10.15 C ATOM 801 O ARG A 47 -4.650 -3.418 4.445 1.00 4.24 O ATOM 802 CB ARG A 47 -6.245 -5.571 3.654 1.00 1.04 C ATOM 803 CG ARG A 47 -7.672 -5.959 4.046 1.00 52.44 C ATOM 804 CD ARG A 47 -8.451 -6.478 2.836 1.00 32.42 C ATOM 805 NE ARG A 47 -8.130 -7.904 2.601 1.00 24.35 N ATOM 806 CZ ARG A 47 -8.604 -8.921 3.351 1.00 51.53 C ATOM 807 NH1 ARG A 47 -9.428 -8.676 4.393 1.00 63.21 N ATOM 808 NH2 ARG A 47 -8.251 -10.157 3.051 1.00 1.01 N ATOM 0 H ARG A 47 -6.666 -4.911 6.224 1.00 22.33 H new ATOM 0 HA ARG A 47 -4.759 -6.641 4.774 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -6.233 -4.547 3.280 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -5.900 -6.211 2.842 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -7.645 -6.725 4.821 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -8.184 -5.095 4.470 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -9.521 -6.361 3.005 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -8.201 -5.890 1.953 1.00 32.42 H new ATOM 0 HE ARG A 47 -7.511 -8.132 1.823 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -9.696 -7.718 4.617 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -9.783 -9.449 4.956 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -7.629 -10.332 2.262 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -8.601 -10.937 3.608 1.00 1.01 H new ATOM 822 N LYS A 48 -3.072 -4.840 5.218 1.00 32.22 N ATOM 823 CA LYS A 48 -2.021 -3.838 5.244 1.00 13.13 C ATOM 824 C LYS A 48 -0.668 -4.528 5.431 1.00 65.41 C ATOM 825 O LYS A 48 -0.455 -5.225 6.422 1.00 32.21 O ATOM 826 CB LYS A 48 -2.321 -2.774 6.302 1.00 2.52 C ATOM 827 CG LYS A 48 -2.153 -1.367 5.726 1.00 31.03 C ATOM 828 CD LYS A 48 -0.774 -1.195 5.088 1.00 5.15 C ATOM 829 CE LYS A 48 -0.778 -0.053 4.070 1.00 62.34 C ATOM 830 NZ LYS A 48 -0.485 -0.566 2.713 1.00 61.43 N ATOM 0 H LYS A 48 -2.783 -5.768 5.527 1.00 32.22 H new ATOM 0 HA LYS A 48 -1.979 -3.306 4.294 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.338 -2.900 6.672 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -1.654 -2.904 7.154 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -2.927 -1.180 4.982 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -2.286 -0.629 6.517 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -0.034 -0.994 5.862 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -0.478 -2.123 4.598 1.00 5.15 H new ATOM 0 HE2 LYS A 48 -1.748 0.443 4.076 1.00 62.34 H new ATOM 0 HE3 LYS A 48 -0.036 0.694 4.351 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 -1.066 -0.057 2.016 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 0.522 -0.421 2.497 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 -0.705 -1.582 2.671 1.00 61.43 H new ATOM 844 N TYR A 49 0.210 -4.310 4.465 1.00 55.14 N ATOM 845 CA TYR A 49 1.536 -4.901 4.510 1.00 61.12 C ATOM 846 C TYR A 49 2.572 -3.976 3.868 1.00 45.23 C ATOM 847 O TYR A 49 2.591 -3.811 2.650 1.00 72.34 O ATOM 848 CB TYR A 49 1.449 -6.194 3.697 1.00 0.44 C ATOM 849 CG TYR A 49 0.920 -7.392 4.487 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.440 -7.561 4.657 1.00 4.35 C ATOM 851 CD2 TYR A 49 1.802 -8.306 5.029 1.00 44.50 C ATOM 852 CE1 TYR A 49 -0.937 -8.689 5.400 1.00 40.03 C ATOM 853 CE2 TYR A 49 1.304 -9.434 5.773 1.00 10.22 C ATOM 854 CZ TYR A 49 -0.041 -9.569 5.922 1.00 11.31 C ATOM 855 OH TYR A 49 -0.511 -10.635 6.624 1.00 30.03 O ATOM 0 H TYR A 49 0.029 -3.731 3.645 1.00 55.14 H new ATOM 0 HA TYR A 49 1.843 -5.076 5.541 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.803 -6.026 2.835 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.439 -6.435 3.311 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.130 -6.847 4.233 1.00 4.35 H new ATOM 0 HD2 TYR A 49 2.866 -8.175 4.895 1.00 44.50 H new ATOM 0 HE1 TYR A 49 -1.998 -8.833 5.540 1.00 40.03 H new ATOM 0 HE2 TYR A 49 1.983 -10.156 6.203 1.00 10.22 H new ATOM 0 HH TYR A 49 0.242 -11.143 6.990 1.00 30.03 H new ATOM 865 N LEU A 50 3.410 -3.398 4.716 1.00 74.33 N ATOM 866 CA LEU A 50 4.446 -2.494 4.247 1.00 43.30 C ATOM 867 C LEU A 50 5.796 -3.210 4.288 1.00 30.44 C ATOM 868 O LEU A 50 6.606 -2.969 5.183 1.00 14.21 O ATOM 869 CB LEU A 50 4.418 -1.188 5.044 1.00 73.54 C ATOM 870 CG LEU A 50 5.428 -0.121 4.617 1.00 22.24 C ATOM 871 CD1 LEU A 50 5.429 0.059 3.097 1.00 24.21 C ATOM 872 CD2 LEU A 50 5.177 1.198 5.349 1.00 4.24 C ATOM 0 H LEU A 50 3.392 -3.538 5.726 1.00 74.33 H new ATOM 0 HA LEU A 50 4.265 -2.211 3.210 1.00 43.30 H new ATOM 0 HB2 LEU A 50 3.417 -0.762 4.972 1.00 73.54 H new ATOM 0 HB3 LEU A 50 4.589 -1.423 6.095 1.00 73.54 H new ATOM 0 HG LEU A 50 6.423 -0.463 4.901 1.00 22.24 H new ATOM 0 HD11 LEU A 50 6.156 0.823 2.822 1.00 24.21 H new ATOM 0 HD12 LEU A 50 5.695 -0.884 2.619 1.00 24.21 H new ATOM 0 HD13 LEU A 50 4.437 0.366 2.766 1.00 24.21 H new ATOM 0 HD21 LEU A 50 5.909 1.938 5.026 1.00 4.24 H new ATOM 0 HD22 LEU A 50 4.173 1.556 5.120 1.00 4.24 H new ATOM 0 HD23 LEU A 50 5.269 1.041 6.424 1.00 4.24 H new ATOM 884 N VAL A 51 6.001 -4.076 3.306 1.00 34.04 N ATOM 885 CA VAL A 51 7.241 -4.829 3.218 1.00 63.40 C ATOM 886 C VAL A 51 8.344 -3.922 2.668 1.00 40.31 C ATOM 887 O VAL A 51 8.063 -2.928 2.002 1.00 53.13 O ATOM 888 CB VAL A 51 7.029 -6.089 2.377 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.936 -6.974 2.981 1.00 22.24 C ATOM 890 CG2 VAL A 51 6.705 -5.732 0.924 1.00 42.33 C ATOM 0 H VAL A 51 5.329 -4.273 2.564 1.00 34.04 H new ATOM 0 HA VAL A 51 7.557 -5.163 4.206 1.00 63.40 H new ATOM 0 HB VAL A 51 7.960 -6.655 2.383 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.805 -7.863 2.364 1.00 22.24 H new ATOM 0 HG12 VAL A 51 6.224 -7.271 3.989 1.00 22.24 H new ATOM 0 HG13 VAL A 51 4.999 -6.419 3.021 1.00 22.24 H new ATOM 0 HG21 VAL A 51 6.559 -6.646 0.349 1.00 42.33 H new ATOM 0 HG22 VAL A 51 5.795 -5.133 0.891 1.00 42.33 H new ATOM 0 HG23 VAL A 51 7.530 -5.162 0.497 1.00 42.33 H new ATOM 900 N PRO A 52 9.612 -4.309 2.976 1.00 31.35 N ATOM 901 CA PRO A 52 10.759 -3.543 2.521 1.00 52.22 C ATOM 902 C PRO A 52 11.015 -3.771 1.029 1.00 45.42 C ATOM 903 O PRO A 52 10.343 -4.584 0.399 1.00 24.12 O ATOM 904 CB PRO A 52 11.912 -4.002 3.399 1.00 72.44 C ATOM 905 CG PRO A 52 11.480 -5.332 3.994 1.00 72.05 C ATOM 906 CD PRO A 52 9.984 -5.481 3.763 1.00 62.34 C ATOM 0 HA PRO A 52 10.610 -2.467 2.613 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.826 -4.114 2.816 1.00 72.44 H new ATOM 0 HB3 PRO A 52 12.120 -3.273 4.182 1.00 72.44 H new ATOM 0 HG2 PRO A 52 12.022 -6.154 3.526 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.707 -5.366 5.060 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.756 -6.404 3.231 1.00 62.34 H new ATOM 0 HD3 PRO A 52 9.439 -5.514 4.706 1.00 62.34 H new ATOM 914 N ALA A 53 11.989 -3.039 0.511 1.00 53.20 N ATOM 915 CA ALA A 53 12.343 -3.152 -0.895 1.00 13.10 C ATOM 916 C ALA A 53 13.380 -4.262 -1.068 1.00 64.41 C ATOM 917 O ALA A 53 14.066 -4.323 -2.088 1.00 65.24 O ATOM 918 CB ALA A 53 12.844 -1.800 -1.405 1.00 72.45 C ATOM 0 H ALA A 53 12.545 -2.365 1.038 1.00 53.20 H new ATOM 0 HA ALA A 53 11.471 -3.422 -1.490 1.00 13.10 H new ATOM 0 HB1 ALA A 53 13.109 -1.884 -2.459 1.00 72.45 H new ATOM 0 HB2 ALA A 53 12.059 -1.053 -1.287 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.721 -1.498 -0.833 1.00 72.45 H new ATOM 924 N ASP A 54 13.465 -5.112 -0.055 1.00 11.31 N ATOM 925 CA ASP A 54 14.408 -6.218 -0.084 1.00 24.43 C ATOM 926 C ASP A 54 13.639 -7.540 -0.037 1.00 24.43 C ATOM 927 O ASP A 54 14.018 -8.506 -0.698 1.00 72.41 O ATOM 928 CB ASP A 54 15.345 -6.172 1.126 1.00 32.13 C ATOM 929 CG ASP A 54 15.649 -4.770 1.655 1.00 4.14 C ATOM 930 OD1 ASP A 54 15.397 -3.762 0.977 1.00 20.21 O ATOM 931 OD2 ASP A 54 16.175 -4.734 2.832 1.00 61.44 O ATOM 0 H ASP A 54 12.897 -5.057 0.790 1.00 11.31 H new ATOM 0 HA ASP A 54 14.995 -6.138 -0.999 1.00 24.43 H new ATOM 0 HB2 ASP A 54 14.904 -6.760 1.931 1.00 32.13 H new ATOM 0 HB3 ASP A 54 16.285 -6.654 0.857 1.00 32.13 H new ATOM 937 N LEU A 55 12.574 -7.541 0.751 1.00 53.33 N ATOM 938 CA LEU A 55 11.748 -8.729 0.893 1.00 33.10 C ATOM 939 C LEU A 55 11.234 -9.153 -0.485 1.00 55.22 C ATOM 940 O LEU A 55 10.760 -8.322 -1.257 1.00 73.35 O ATOM 941 CB LEU A 55 10.639 -8.490 1.918 1.00 22.25 C ATOM 942 CG LEU A 55 10.063 -9.740 2.588 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.458 -9.802 4.064 1.00 33.21 C ATOM 944 CD2 LEU A 55 8.548 -9.817 2.394 1.00 41.11 C ATOM 0 H LEU A 55 12.264 -6.738 1.298 1.00 53.33 H new ATOM 0 HA LEU A 55 12.336 -9.560 1.284 1.00 33.10 H new ATOM 0 HB2 LEU A 55 11.026 -7.831 2.695 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.825 -7.958 1.426 1.00 22.25 H new ATOM 0 HG LEU A 55 10.493 -10.617 2.104 1.00 42.04 H new ATOM 0 HD11 LEU A 55 10.036 -10.699 4.516 1.00 33.21 H new ATOM 0 HD12 LEU A 55 11.544 -9.829 4.149 1.00 33.21 H new ATOM 0 HD13 LEU A 55 10.076 -8.921 4.580 1.00 33.21 H new ATOM 0 HD21 LEU A 55 8.164 -10.714 2.880 1.00 41.11 H new ATOM 0 HD22 LEU A 55 8.080 -8.937 2.835 1.00 41.11 H new ATOM 0 HD23 LEU A 55 8.319 -9.855 1.329 1.00 41.11 H new ATOM 956 N THR A 56 11.344 -10.447 -0.748 1.00 33.54 N ATOM 957 CA THR A 56 10.895 -10.992 -2.018 1.00 20.24 C ATOM 958 C THR A 56 9.462 -11.512 -1.898 1.00 22.22 C ATOM 959 O THR A 56 8.816 -11.332 -0.867 1.00 33.44 O ATOM 960 CB THR A 56 11.895 -12.066 -2.451 1.00 3.12 C ATOM 961 OG1 THR A 56 11.350 -13.278 -1.939 1.00 4.55 O ATOM 962 CG2 THR A 56 13.243 -11.934 -1.737 1.00 24.15 C ATOM 0 H THR A 56 11.737 -11.133 -0.104 1.00 33.54 H new ATOM 0 HA THR A 56 10.866 -10.223 -2.790 1.00 20.24 H new ATOM 0 HB THR A 56 12.046 -12.005 -3.529 1.00 3.12 H new ATOM 0 HG1 THR A 56 11.268 -13.932 -2.664 1.00 4.55 H new ATOM 0 HG21 THR A 56 13.915 -12.720 -2.081 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.679 -10.960 -1.960 1.00 24.15 H new ATOM 0 HG23 THR A 56 13.096 -12.027 -0.661 1.00 24.15 H new ATOM 970 N VAL A 57 9.004 -12.145 -2.968 1.00 60.44 N ATOM 971 CA VAL A 57 7.658 -12.692 -2.997 1.00 24.01 C ATOM 972 C VAL A 57 7.602 -13.942 -2.118 1.00 24.23 C ATOM 973 O VAL A 57 6.645 -14.138 -1.370 1.00 23.23 O ATOM 974 CB VAL A 57 7.230 -12.957 -4.442 1.00 35.30 C ATOM 975 CG1 VAL A 57 6.188 -14.072 -4.509 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.709 -11.678 -5.102 1.00 3.30 C ATOM 0 H VAL A 57 9.542 -12.291 -3.822 1.00 60.44 H new ATOM 0 HA VAL A 57 6.946 -11.975 -2.589 1.00 24.01 H new ATOM 0 HB VAL A 57 8.108 -13.287 -4.997 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.901 -14.240 -5.547 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.609 -14.989 -4.096 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.309 -13.784 -3.932 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.411 -11.893 -6.128 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.849 -11.306 -4.545 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.495 -10.923 -5.103 1.00 3.30 H new ATOM 986 N GLY A 58 8.639 -14.759 -2.239 1.00 11.12 N ATOM 987 CA GLY A 58 8.719 -15.985 -1.464 1.00 42.23 C ATOM 988 C GLY A 58 9.010 -15.687 0.007 1.00 73.23 C ATOM 989 O GLY A 58 8.993 -16.590 0.842 1.00 60.02 O ATOM 0 H GLY A 58 9.430 -14.595 -2.862 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.781 -16.534 -1.549 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.502 -16.626 -1.870 1.00 42.23 H new ATOM 993 N GLN A 59 9.269 -14.417 0.280 1.00 64.11 N ATOM 994 CA GLN A 59 9.563 -13.989 1.637 1.00 61.51 C ATOM 995 C GLN A 59 8.317 -13.382 2.284 1.00 64.21 C ATOM 996 O GLN A 59 8.202 -13.349 3.508 1.00 44.31 O ATOM 997 CB GLN A 59 10.729 -12.998 1.659 1.00 30.41 C ATOM 998 CG GLN A 59 12.053 -13.703 1.355 1.00 65.32 C ATOM 999 CD GLN A 59 13.237 -12.919 1.928 1.00 74.31 C ATOM 1000 OE1 GLN A 59 14.089 -12.422 1.211 1.00 74.53 O ATOM 1001 NE2 GLN A 59 13.239 -12.836 3.255 1.00 1.14 N ATOM 0 H GLN A 59 9.281 -13.671 -0.415 1.00 64.11 H new ATOM 0 HA GLN A 59 9.860 -14.863 2.216 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.555 -12.210 0.926 1.00 30.41 H new ATOM 0 HB3 GLN A 59 10.784 -12.518 2.636 1.00 30.41 H new ATOM 0 HG2 GLN A 59 12.039 -14.708 1.777 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.172 -13.812 0.277 1.00 65.32 H new ATOM 0 HE21 GLN A 59 12.494 -13.276 3.795 1.00 1.14 H new ATOM 0 HE22 GLN A 59 13.986 -12.332 3.733 1.00 1.14 H new ATOM 1010 N PHE A 60 7.414 -12.917 1.432 1.00 0.21 N ATOM 1011 CA PHE A 60 6.180 -12.312 1.905 1.00 52.15 C ATOM 1012 C PHE A 60 5.190 -13.381 2.371 1.00 43.15 C ATOM 1013 O PHE A 60 4.701 -13.331 3.498 1.00 50.40 O ATOM 1014 CB PHE A 60 5.574 -11.550 0.726 1.00 50.40 C ATOM 1015 CG PHE A 60 4.396 -10.651 1.104 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.570 -9.641 1.998 1.00 51.21 C ATOM 1017 CD2 PHE A 60 3.173 -10.863 0.548 1.00 61.34 C ATOM 1018 CE1 PHE A 60 3.477 -8.806 2.350 1.00 1.22 C ATOM 1019 CE2 PHE A 60 2.078 -10.029 0.900 1.00 62.21 C ATOM 1020 CZ PHE A 60 2.254 -9.018 1.794 1.00 23.01 C ATOM 0 H PHE A 60 7.513 -12.947 0.417 1.00 0.21 H new ATOM 0 HA PHE A 60 6.387 -11.654 2.749 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.350 -10.939 0.264 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.244 -12.267 -0.025 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.541 -9.474 2.441 1.00 51.21 H new ATOM 0 HD2 PHE A 60 3.034 -11.666 -0.161 1.00 61.34 H new ATOM 0 HE1 PHE A 60 3.617 -8.003 3.059 1.00 1.22 H new ATOM 0 HE2 PHE A 60 1.107 -10.197 0.459 1.00 62.21 H new ATOM 0 HZ PHE A 60 1.422 -8.384 2.062 1.00 23.01 H new ATOM 1030 N VAL A 61 4.923 -14.323 1.479 1.00 32.35 N ATOM 1031 CA VAL A 61 4.000 -15.403 1.783 1.00 5.44 C ATOM 1032 C VAL A 61 4.221 -15.866 3.224 1.00 71.34 C ATOM 1033 O VAL A 61 3.269 -16.211 3.922 1.00 5.54 O ATOM 1034 CB VAL A 61 4.158 -16.532 0.761 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.247 -17.713 1.102 1.00 42.22 C ATOM 1036 CG2 VAL A 61 3.894 -16.026 -0.659 1.00 73.01 C ATOM 0 H VAL A 61 5.330 -14.361 0.545 1.00 32.35 H new ATOM 0 HA VAL A 61 2.969 -15.057 1.707 1.00 5.44 H new ATOM 0 HB VAL A 61 5.189 -16.883 0.805 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.379 -18.501 0.360 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.504 -18.097 2.089 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.208 -17.383 1.100 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.013 -16.847 -1.366 1.00 73.01 H new ATOM 0 HG22 VAL A 61 2.878 -15.636 -0.723 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.603 -15.234 -0.901 1.00 73.01 H new ATOM 1046 N TYR A 62 5.483 -15.861 3.626 1.00 14.20 N ATOM 1047 CA TYR A 62 5.841 -16.276 4.972 1.00 74.54 C ATOM 1048 C TYR A 62 5.094 -15.448 6.018 1.00 34.14 C ATOM 1049 O TYR A 62 4.423 -16.000 6.890 1.00 35.32 O ATOM 1050 CB TYR A 62 7.342 -16.015 5.108 1.00 44.14 C ATOM 1051 CG TYR A 62 7.771 -15.563 6.506 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.533 -16.374 7.597 1.00 62.34 C ATOM 1053 CD2 TYR A 62 8.396 -14.344 6.676 1.00 22.21 C ATOM 1054 CE1 TYR A 62 7.937 -15.948 8.912 1.00 24.35 C ATOM 1055 CE2 TYR A 62 8.799 -13.919 7.990 1.00 24.10 C ATOM 1056 CZ TYR A 62 8.550 -14.741 9.043 1.00 2.21 C ATOM 1057 OH TYR A 62 8.931 -14.340 10.286 1.00 63.13 O ATOM 0 H TYR A 62 6.271 -15.576 3.044 1.00 14.20 H new ATOM 0 HA TYR A 62 5.583 -17.323 5.133 1.00 74.54 H new ATOM 0 HB2 TYR A 62 7.883 -16.925 4.849 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.635 -15.253 4.385 1.00 44.14 H new ATOM 0 HD1 TYR A 62 7.044 -17.328 7.465 1.00 62.34 H new ATOM 0 HD2 TYR A 62 8.582 -13.709 5.822 1.00 22.21 H new ATOM 0 HE1 TYR A 62 7.757 -16.573 9.774 1.00 24.35 H new ATOM 0 HE2 TYR A 62 9.289 -12.968 8.136 1.00 24.10 H new ATOM 0 HH TYR A 62 9.357 -13.459 10.229 1.00 63.13 H new ATOM 1067 N VAL A 63 5.236 -14.136 5.899 1.00 52.24 N ATOM 1068 CA VAL A 63 4.583 -13.226 6.825 1.00 35.03 C ATOM 1069 C VAL A 63 3.071 -13.455 6.777 1.00 4.02 C ATOM 1070 O VAL A 63 2.401 -13.421 7.809 1.00 23.34 O ATOM 1071 CB VAL A 63 4.980 -11.782 6.507 1.00 11.21 C ATOM 1072 CG1 VAL A 63 4.198 -10.795 7.375 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.488 -11.580 6.669 1.00 44.31 C ATOM 0 H VAL A 63 5.793 -13.681 5.176 1.00 52.24 H new ATOM 0 HA VAL A 63 4.909 -13.421 7.847 1.00 35.03 H new ATOM 0 HB VAL A 63 4.726 -11.586 5.465 1.00 11.21 H new ATOM 0 HG11 VAL A 63 4.499 -9.777 7.129 1.00 65.32 H new ATOM 0 HG12 VAL A 63 3.131 -10.913 7.189 1.00 65.32 H new ATOM 0 HG13 VAL A 63 4.406 -10.991 8.427 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.744 -10.546 6.437 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.777 -11.804 7.696 1.00 44.31 H new ATOM 0 HG23 VAL A 63 7.019 -12.246 5.989 1.00 44.31 H new ATOM 1083 N ILE A 64 2.576 -13.680 5.568 1.00 25.51 N ATOM 1084 CA ILE A 64 1.156 -13.915 5.372 1.00 30.30 C ATOM 1085 C ILE A 64 0.730 -15.143 6.178 1.00 3.31 C ATOM 1086 O ILE A 64 -0.266 -15.102 6.899 1.00 53.34 O ATOM 1087 CB ILE A 64 0.831 -14.015 3.880 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.464 -12.860 3.101 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.680 -14.099 3.653 1.00 22.42 C ATOM 1090 CD1 ILE A 64 1.170 -11.518 3.775 1.00 35.01 C ATOM 0 H ILE A 64 3.134 -13.704 4.714 1.00 25.51 H new ATOM 0 HA ILE A 64 0.575 -13.072 5.746 1.00 30.30 H new ATOM 0 HB ILE A 64 1.267 -14.938 3.497 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.542 -13.009 3.034 1.00 52.44 H new ATOM 0 HG13 ILE A 64 1.080 -12.851 2.081 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -0.884 -14.169 2.585 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -1.075 -14.981 4.157 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.159 -13.206 4.056 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.631 -10.714 3.201 1.00 35.01 H new ATOM 0 HD12 ILE A 64 0.092 -11.361 3.818 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.577 -11.522 4.786 1.00 35.01 H new ATOM 1102 N ARG A 65 1.507 -16.206 6.031 1.00 63.25 N ATOM 1103 CA ARG A 65 1.221 -17.443 6.737 1.00 61.31 C ATOM 1104 C ARG A 65 1.291 -17.221 8.249 1.00 12.01 C ATOM 1105 O ARG A 65 0.548 -17.843 9.007 1.00 41.52 O ATOM 1106 CB ARG A 65 2.211 -18.542 6.344 1.00 31.34 C ATOM 1107 CG ARG A 65 1.667 -19.925 6.709 1.00 61.42 C ATOM 1108 CD ARG A 65 0.813 -20.495 5.576 1.00 12.15 C ATOM 1109 NE ARG A 65 1.525 -20.356 4.286 1.00 42.22 N ATOM 1110 CZ ARG A 65 2.357 -21.289 3.776 1.00 13.14 C ATOM 1111 NH1 ARG A 65 2.587 -22.439 4.444 1.00 33.44 N ATOM 1112 NH2 ARG A 65 2.941 -21.061 2.615 1.00 34.13 N ATOM 0 H ARG A 65 2.334 -16.236 5.434 1.00 63.25 H new ATOM 0 HA ARG A 65 0.215 -17.758 6.459 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.406 -18.495 5.273 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.163 -18.377 6.849 1.00 31.34 H new ATOM 0 HG2 ARG A 65 2.495 -20.601 6.920 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.071 -19.857 7.619 1.00 61.42 H new ATOM 0 HD2 ARG A 65 0.593 -21.545 5.768 1.00 12.15 H new ATOM 0 HD3 ARG A 65 -0.143 -19.972 5.532 1.00 12.15 H new ATOM 0 HE ARG A 65 1.378 -19.502 3.748 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.131 -22.608 5.341 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.217 -23.139 4.052 1.00 33.44 H new ATOM 0 HH21 ARG A 65 2.761 -20.190 2.116 1.00 34.13 H new ATOM 0 HH22 ARG A 65 3.572 -21.756 2.216 1.00 34.13 H new ATOM 1126 N LYS A 66 2.189 -16.330 8.643 1.00 55.44 N ATOM 1127 CA LYS A 66 2.366 -16.017 10.051 1.00 1.33 C ATOM 1128 C LYS A 66 1.065 -15.434 10.605 1.00 70.51 C ATOM 1129 O LYS A 66 0.542 -15.916 11.608 1.00 24.42 O ATOM 1130 CB LYS A 66 3.582 -15.111 10.249 1.00 12.24 C ATOM 1131 CG LYS A 66 4.823 -15.928 10.612 1.00 14.13 C ATOM 1132 CD LYS A 66 5.045 -17.062 9.610 1.00 31.51 C ATOM 1133 CE LYS A 66 5.965 -18.136 10.192 1.00 71.45 C ATOM 1134 NZ LYS A 66 5.170 -19.241 10.773 1.00 62.23 N ATOM 0 H LYS A 66 2.802 -15.815 8.011 1.00 55.44 H new ATOM 0 HA LYS A 66 2.578 -16.922 10.621 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.770 -14.544 9.337 1.00 12.24 H new ATOM 0 HB3 LYS A 66 3.376 -14.387 11.037 1.00 12.24 H new ATOM 0 HG2 LYS A 66 5.698 -15.278 10.631 1.00 14.13 H new ATOM 0 HG3 LYS A 66 4.711 -16.341 11.615 1.00 14.13 H new ATOM 0 HD2 LYS A 66 4.087 -17.506 9.340 1.00 31.51 H new ATOM 0 HD3 LYS A 66 5.480 -16.663 8.694 1.00 31.51 H new ATOM 0 HE2 LYS A 66 6.621 -18.523 9.412 1.00 71.45 H new ATOM 0 HE3 LYS A 66 6.605 -17.699 10.958 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 5.810 -19.961 11.164 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 4.562 -18.870 11.531 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 4.578 -19.669 10.033 1.00 62.23 H new ATOM 1148 N ARG A 67 0.582 -14.401 9.929 1.00 1.25 N ATOM 1149 CA ARG A 67 -0.647 -13.746 10.342 1.00 11.04 C ATOM 1150 C ARG A 67 -1.742 -14.784 10.598 1.00 10.11 C ATOM 1151 O ARG A 67 -2.182 -14.962 11.733 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.128 -12.757 9.279 1.00 53.20 C ATOM 1153 CG ARG A 67 -0.796 -11.318 9.677 1.00 23.03 C ATOM 1154 CD ARG A 67 -1.852 -10.755 10.629 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.446 -10.991 12.032 1.00 70.52 N ATOM 1156 CZ ARG A 67 -0.623 -10.178 12.730 1.00 73.13 C ATOM 1157 NH1 ARG A 67 -0.112 -9.066 12.158 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -0.327 -10.485 13.979 1.00 2.44 N ATOM 0 H ARG A 67 1.020 -14.002 9.099 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.439 -13.199 11.262 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -0.660 -12.990 8.322 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.204 -12.861 9.141 1.00 53.20 H new ATOM 0 HG2 ARG A 67 0.183 -11.286 10.154 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -0.736 -10.695 8.785 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -1.979 -9.687 10.453 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -2.816 -11.227 10.436 1.00 34.01 H new ATOM 0 HE ARG A 67 -1.810 -11.820 12.502 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.347 -8.835 11.193 1.00 21.20 H new ATOM 0 HH12 ARG A 67 0.509 -8.457 12.692 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -0.718 -11.326 14.404 1.00 2.44 H new ATOM 0 HH22 ARG A 67 0.293 -9.882 14.519 1.00 2.44 H new ATOM 1172 N ILE A 68 -2.152 -15.441 9.522 1.00 74.21 N ATOM 1173 CA ILE A 68 -3.187 -16.456 9.614 1.00 51.02 C ATOM 1174 C ILE A 68 -2.638 -17.671 10.365 1.00 1.12 C ATOM 1175 O ILE A 68 -3.382 -18.598 10.682 1.00 65.40 O ATOM 1176 CB ILE A 68 -3.739 -16.787 8.227 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.606 -16.968 7.216 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -4.750 -15.734 7.773 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.058 -17.823 6.031 1.00 64.50 C ATOM 0 H ILE A 68 -1.786 -15.290 8.582 1.00 74.21 H new ATOM 0 HA ILE A 68 -4.036 -16.083 10.187 1.00 51.02 H new ATOM 0 HB ILE A 68 -4.271 -17.737 8.289 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.273 -15.993 6.859 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -1.751 -17.438 7.703 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.127 -15.994 6.784 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.580 -15.698 8.479 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.266 -14.758 7.732 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.233 -17.935 5.328 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.367 -18.805 6.388 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -3.897 -17.338 5.532 1.00 64.50 H new ATOM 1191 N MET A 69 -1.339 -17.628 10.626 1.00 12.12 N ATOM 1192 CA MET A 69 -0.682 -18.714 11.334 1.00 64.34 C ATOM 1193 C MET A 69 -1.152 -20.074 10.809 1.00 52.33 C ATOM 1194 O MET A 69 -1.377 -20.999 11.587 1.00 32.01 O ATOM 1195 CB MET A 69 -0.990 -18.612 12.829 1.00 12.53 C ATOM 1196 CG MET A 69 -2.482 -18.811 13.096 1.00 10.21 C ATOM 1197 SD MET A 69 -2.762 -19.061 14.842 1.00 12.40 S ATOM 1198 CE MET A 69 -3.392 -17.452 15.288 1.00 45.12 C ATOM 0 H MET A 69 -0.724 -16.859 10.360 1.00 12.12 H new ATOM 0 HA MET A 69 0.392 -18.631 11.169 1.00 64.34 H new ATOM 0 HB2 MET A 69 -0.416 -19.362 13.374 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.677 -17.637 13.203 1.00 12.53 H new ATOM 0 HG2 MET A 69 -3.041 -17.941 12.751 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.849 -19.670 12.534 1.00 10.21 H new ATOM 0 HE1 MET A 69 -3.620 -17.433 16.354 1.00 45.12 H new ATOM 0 HE2 MET A 69 -2.643 -16.693 15.064 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.299 -17.246 14.719 1.00 45.12 H new ATOM 1208 N LEU A 70 -1.284 -20.149 9.493 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.721 -21.380 8.855 1.00 10.14 C ATOM 1210 C LEU A 70 -0.701 -22.485 9.133 1.00 2.25 C ATOM 1211 O LEU A 70 0.504 -22.236 9.133 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.985 -21.146 7.365 1.00 61.22 C ATOM 1213 CG LEU A 70 -3.211 -21.853 6.782 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -4.420 -21.702 7.707 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -3.505 -21.359 5.365 1.00 2.24 C ATOM 0 H LEU A 70 -1.096 -19.379 8.851 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.670 -21.711 9.276 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -2.095 -20.074 7.200 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -1.106 -21.466 6.806 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.992 -22.918 6.711 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -5.278 -22.213 7.270 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -4.192 -22.141 8.678 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.653 -20.644 7.832 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -4.381 -21.877 4.973 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -3.697 -20.286 5.386 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -2.647 -21.561 4.724 1.00 2.24 H new ATOM 1227 N PRO A 71 -1.234 -23.713 9.373 1.00 43.24 N ATOM 1228 CA PRO A 71 -0.383 -24.857 9.652 1.00 13.55 C ATOM 1229 C PRO A 71 0.295 -25.361 8.376 1.00 75.31 C ATOM 1230 O PRO A 71 -0.015 -24.898 7.279 1.00 21.12 O ATOM 1231 CB PRO A 71 -1.305 -25.889 10.281 1.00 61.24 C ATOM 1232 CG PRO A 71 -2.718 -25.468 9.908 1.00 24.13 C ATOM 1233 CD PRO A 71 -2.656 -24.044 9.382 1.00 33.31 C ATOM 0 HA PRO A 71 0.440 -24.614 10.324 1.00 13.55 H new ATOM 0 HB2 PRO A 71 -1.084 -26.889 9.908 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -1.179 -25.917 11.363 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -3.129 -26.137 9.152 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -3.375 -25.526 10.776 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -3.086 -23.972 8.383 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -3.217 -23.361 10.020 1.00 33.31 H new ATOM 1241 N PRO A 72 1.232 -26.329 8.567 1.00 11.43 N ATOM 1242 CA PRO A 72 1.957 -26.900 7.445 1.00 73.31 C ATOM 1243 C PRO A 72 1.071 -27.866 6.654 1.00 14.34 C ATOM 1244 O PRO A 72 1.494 -28.410 5.636 1.00 14.13 O ATOM 1245 CB PRO A 72 3.169 -27.577 8.064 1.00 1.11 C ATOM 1246 CG PRO A 72 2.838 -27.760 9.535 1.00 12.50 C ATOM 1247 CD PRO A 72 1.625 -26.900 9.852 1.00 2.00 C ATOM 0 HA PRO A 72 2.265 -26.150 6.717 1.00 73.31 H new ATOM 0 HB2 PRO A 72 3.367 -28.536 7.586 1.00 1.11 H new ATOM 0 HB3 PRO A 72 4.064 -26.967 7.938 1.00 1.11 H new ATOM 0 HG2 PRO A 72 2.630 -28.808 9.752 1.00 12.50 H new ATOM 0 HG3 PRO A 72 3.685 -27.468 10.156 1.00 12.50 H new ATOM 0 HD2 PRO A 72 0.820 -27.494 10.285 1.00 2.00 H new ATOM 0 HD3 PRO A 72 1.869 -26.121 10.574 1.00 2.00 H new ATOM 1255 N GLU A 73 -0.143 -28.049 7.156 1.00 4.32 N ATOM 1256 CA GLU A 73 -1.091 -28.939 6.508 1.00 33.04 C ATOM 1257 C GLU A 73 -1.861 -28.192 5.417 1.00 15.04 C ATOM 1258 O GLU A 73 -2.756 -28.755 4.788 1.00 75.11 O ATOM 1259 CB GLU A 73 -2.049 -29.555 7.530 1.00 51.24 C ATOM 1260 CG GLU A 73 -2.957 -28.487 8.144 1.00 33.54 C ATOM 1261 CD GLU A 73 -4.276 -29.099 8.622 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -5.107 -29.506 7.795 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -4.424 -29.145 9.902 1.00 11.00 O ATOM 0 H GLU A 73 -0.490 -27.597 8.002 1.00 4.32 H new ATOM 0 HA GLU A 73 -0.536 -29.752 6.041 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -2.657 -30.321 7.048 1.00 51.24 H new ATOM 0 HB3 GLU A 73 -1.479 -30.049 8.317 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -2.448 -28.010 8.982 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -3.158 -27.709 7.408 1.00 33.54 H new ATOM 1271 N LYS A 74 -1.486 -26.935 5.226 1.00 15.22 N ATOM 1272 CA LYS A 74 -2.130 -26.106 4.222 1.00 74.24 C ATOM 1273 C LYS A 74 -1.060 -25.372 3.412 1.00 4.24 C ATOM 1274 O LYS A 74 0.134 -25.550 3.647 1.00 22.52 O ATOM 1275 CB LYS A 74 -3.155 -25.176 4.874 1.00 43.43 C ATOM 1276 CG LYS A 74 -4.295 -25.976 5.509 1.00 13.23 C ATOM 1277 CD LYS A 74 -5.658 -25.428 5.074 1.00 31.31 C ATOM 1278 CE LYS A 74 -6.723 -26.525 5.108 1.00 43.12 C ATOM 1279 NZ LYS A 74 -7.113 -26.826 6.504 1.00 72.20 N ATOM 0 H LYS A 74 -0.744 -26.471 5.750 1.00 15.22 H new ATOM 0 HA LYS A 74 -2.694 -26.722 3.521 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -2.666 -24.566 5.634 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -3.558 -24.492 4.127 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -4.212 -27.024 5.222 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -4.212 -25.935 6.595 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -5.952 -24.610 5.731 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -5.585 -25.018 4.067 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -7.598 -26.208 4.540 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -6.341 -27.426 4.629 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -7.837 -27.573 6.509 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -6.279 -27.148 7.036 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -7.497 -25.969 6.950 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.527 -24.562 2.472 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.625 -23.799 1.626 1.00 13.52 C ATOM 1295 C ALA A 75 -1.185 -22.390 1.432 1.00 54.01 C ATOM 1296 O ALA A 75 -2.273 -22.077 1.916 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.427 -24.536 0.300 1.00 3.35 C ATOM 0 H ALA A 75 -2.518 -24.418 2.278 1.00 2.43 H new ATOM 0 HA ALA A 75 0.354 -23.702 2.096 1.00 13.52 H new ATOM 0 HB1 ALA A 75 0.249 -23.965 -0.336 1.00 3.35 H new ATOM 0 HB2 ALA A 75 -0.001 -25.521 0.491 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.388 -24.648 -0.201 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.417 -21.574 0.723 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.823 -20.204 0.460 1.00 65.33 C ATOM 1305 C ILE A 76 -0.013 -19.654 -0.715 1.00 4.31 C ATOM 1306 O ILE A 76 1.208 -19.532 -0.628 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.715 -19.359 1.731 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.935 -18.450 1.890 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.595 -18.570 1.755 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.743 -17.474 3.052 1.00 43.42 C ATOM 0 H ILE A 76 0.484 -21.836 0.323 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.873 -20.167 0.169 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.701 -20.032 2.589 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -2.102 -17.894 0.967 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.825 -19.056 2.062 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.646 -17.978 2.669 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.437 -19.262 1.723 1.00 65.54 H new ATOM 0 HG23 ILE A 76 0.637 -17.907 0.891 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.624 -16.839 3.143 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.601 -18.033 3.977 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.867 -16.853 2.865 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.724 -19.338 -1.787 1.00 12.42 N ATOM 1323 CA PHE A 77 -0.085 -18.802 -2.978 1.00 62.30 C ATOM 1324 C PHE A 77 -0.562 -17.376 -3.262 1.00 33.33 C ATOM 1325 O PHE A 77 -1.739 -17.066 -3.090 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.489 -19.705 -4.145 1.00 40.44 C ATOM 1327 CG PHE A 77 -0.056 -21.164 -3.983 1.00 70.23 C ATOM 1328 CD1 PHE A 77 -0.823 -22.025 -3.264 1.00 44.34 C ATOM 1329 CD2 PHE A 77 1.097 -21.598 -4.559 1.00 4.54 C ATOM 1330 CE1 PHE A 77 -0.421 -23.379 -3.113 1.00 41.05 C ATOM 1331 CE2 PHE A 77 1.499 -22.952 -4.408 1.00 1.33 C ATOM 1332 CZ PHE A 77 0.731 -23.813 -3.689 1.00 35.23 C ATOM 0 H PHE A 77 -1.736 -19.443 -1.856 1.00 12.42 H new ATOM 0 HA PHE A 77 0.996 -18.773 -2.840 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.572 -19.669 -4.260 1.00 40.44 H new ATOM 0 HB3 PHE A 77 -0.057 -19.309 -5.064 1.00 40.44 H new ATOM 0 HD1 PHE A 77 -1.739 -21.680 -2.807 1.00 44.34 H new ATOM 0 HD2 PHE A 77 1.706 -20.914 -5.131 1.00 4.54 H new ATOM 0 HE1 PHE A 77 -1.030 -24.063 -2.541 1.00 41.05 H new ATOM 0 HE2 PHE A 77 2.415 -23.297 -4.864 1.00 1.33 H new ATOM 0 HZ PHE A 77 1.037 -24.843 -3.575 1.00 35.23 H new ATOM 1342 N ILE A 78 0.379 -16.547 -3.694 1.00 3.55 N ATOM 1343 CA ILE A 78 0.070 -15.163 -4.003 1.00 70.04 C ATOM 1344 C ILE A 78 -0.475 -15.073 -5.430 1.00 63.43 C ATOM 1345 O ILE A 78 -0.124 -15.884 -6.284 1.00 62.34 O ATOM 1346 CB ILE A 78 1.290 -14.273 -3.754 1.00 15.11 C ATOM 1347 CG1 ILE A 78 1.897 -14.547 -2.376 1.00 31.40 C ATOM 1348 CG2 ILE A 78 0.938 -12.796 -3.941 1.00 23.31 C ATOM 1349 CD1 ILE A 78 1.126 -13.809 -1.280 1.00 44.32 C ATOM 0 H ILE A 78 1.354 -16.809 -3.837 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.710 -14.790 -3.339 1.00 70.04 H new ATOM 0 HB ILE A 78 2.050 -14.520 -4.496 1.00 15.11 H new ATOM 0 HG12 ILE A 78 1.884 -15.618 -2.176 1.00 31.40 H new ATOM 0 HG13 ILE A 78 2.941 -14.233 -2.366 1.00 31.40 H new ATOM 0 HG21 ILE A 78 1.822 -12.185 -3.758 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.588 -12.632 -4.960 1.00 23.31 H new ATOM 0 HG23 ILE A 78 0.153 -12.517 -3.238 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.578 -14.021 -0.311 1.00 44.32 H new ATOM 0 HD12 ILE A 78 1.161 -12.736 -1.470 1.00 44.32 H new ATOM 0 HD13 ILE A 78 0.088 -14.143 -1.277 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.324 -14.078 -5.643 1.00 54.23 N ATOM 1362 CA PHE A 79 -1.921 -13.872 -6.952 1.00 2.04 C ATOM 1363 C PHE A 79 -2.126 -12.381 -7.233 1.00 53.42 C ATOM 1364 O PHE A 79 -2.878 -11.711 -6.528 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.284 -14.567 -6.936 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.270 -15.976 -7.535 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -2.883 -16.164 -8.823 1.00 30.00 C ATOM 1368 CD2 PHE A 79 -3.646 -17.040 -6.775 1.00 2.43 C ATOM 1369 CE1 PHE A 79 -2.870 -17.470 -9.379 1.00 1.54 C ATOM 1370 CE2 PHE A 79 -3.634 -18.347 -7.330 1.00 63.12 C ATOM 1371 CZ PHE A 79 -3.246 -18.535 -8.620 1.00 62.01 C ATOM 0 H PHE A 79 -1.612 -13.406 -4.932 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.268 -14.274 -7.726 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.640 -14.624 -5.907 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -3.999 -13.956 -7.487 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -2.585 -15.319 -9.425 1.00 30.00 H new ATOM 0 HD2 PHE A 79 -3.953 -16.891 -5.750 1.00 2.43 H new ATOM 0 HE1 PHE A 79 -2.562 -17.618 -10.403 1.00 1.54 H new ATOM 0 HE2 PHE A 79 -3.933 -19.192 -6.728 1.00 63.12 H new ATOM 0 HZ PHE A 79 -3.236 -19.529 -9.042 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.443 -11.908 -8.265 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.541 -10.510 -8.648 1.00 62.12 C ATOM 1383 C VAL A 80 -2.080 -10.412 -10.075 1.00 53.14 C ATOM 1384 O VAL A 80 -1.394 -10.778 -11.028 1.00 72.31 O ATOM 1385 CB VAL A 80 -0.184 -9.823 -8.473 1.00 75.21 C ATOM 1386 CG1 VAL A 80 -0.358 -8.332 -8.181 1.00 74.51 C ATOM 1387 CG2 VAL A 80 0.638 -10.506 -7.380 1.00 72.24 C ATOM 0 H VAL A 80 -0.820 -12.468 -8.847 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.243 -9.985 -7.999 1.00 62.12 H new ATOM 0 HB VAL A 80 0.364 -9.917 -9.411 1.00 75.21 H new ATOM 0 HG11 VAL A 80 0.621 -7.868 -8.061 1.00 74.51 H new ATOM 0 HG12 VAL A 80 -0.885 -7.858 -9.009 1.00 74.51 H new ATOM 0 HG13 VAL A 80 -0.934 -8.206 -7.264 1.00 74.51 H new ATOM 0 HG21 VAL A 80 1.597 -9.999 -7.276 1.00 72.24 H new ATOM 0 HG22 VAL A 80 0.097 -10.458 -6.435 1.00 72.24 H new ATOM 0 HG23 VAL A 80 0.806 -11.549 -7.649 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.305 -9.918 -10.179 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.946 -9.768 -11.475 1.00 42.34 C ATOM 1399 C ASN A 81 -4.208 -11.151 -12.072 1.00 23.52 C ATOM 1400 O ASN A 81 -4.364 -11.289 -13.285 1.00 11.11 O ATOM 1401 CB ASN A 81 -3.050 -8.995 -12.445 1.00 33.42 C ATOM 1402 CG ASN A 81 -2.308 -7.866 -11.727 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -2.850 -6.806 -11.458 1.00 74.42 O ATOM 1404 ND2 ASN A 81 -1.043 -8.151 -11.433 1.00 23.44 N ATOM 0 H ASN A 81 -3.871 -9.616 -9.386 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.877 -9.221 -11.330 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -2.331 -9.675 -12.901 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.654 -8.582 -13.253 1.00 33.42 H new ATOM 0 HD21 ASN A 81 -0.463 -7.462 -10.953 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -0.652 -9.058 -11.687 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.248 -12.142 -11.193 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.489 -13.510 -11.618 1.00 23.32 C ATOM 1413 C ASP A 82 -3.179 -14.121 -12.125 1.00 11.03 C ATOM 1414 O ASP A 82 -3.193 -15.095 -12.875 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.505 -13.562 -12.761 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.675 -12.584 -12.629 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -7.497 -12.690 -11.707 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -6.723 -11.668 -13.538 1.00 63.05 O ATOM 0 H ASP A 82 -4.117 -12.024 -10.188 1.00 73.32 H new ATOM 0 HA ASP A 82 -4.878 -14.064 -10.763 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -4.986 -13.361 -13.698 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -5.903 -14.575 -12.828 1.00 70.50 H new ATOM 1424 N THR A 83 -2.079 -13.522 -11.692 1.00 42.44 N ATOM 1425 CA THR A 83 -0.765 -13.994 -12.091 1.00 61.11 C ATOM 1426 C THR A 83 0.089 -14.301 -10.859 1.00 21.15 C ATOM 1427 O THR A 83 0.121 -13.519 -9.910 1.00 74.25 O ATOM 1428 CB THR A 83 -0.143 -12.941 -13.012 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.651 -13.700 -13.920 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.868 -12.052 -12.287 1.00 30.14 C ATOM 0 H THR A 83 -2.071 -12.714 -11.069 1.00 42.44 H new ATOM 0 HA THR A 83 -0.834 -14.931 -12.643 1.00 61.11 H new ATOM 0 HB THR A 83 -0.932 -12.321 -13.438 1.00 23.31 H new ATOM 0 HG1 THR A 83 1.090 -13.096 -14.555 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.279 -11.323 -12.986 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.372 -11.530 -11.468 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.675 -12.668 -11.889 1.00 30.14 H new ATOM 1438 N LEU A 84 0.759 -15.443 -10.913 1.00 12.33 N ATOM 1439 CA LEU A 84 1.611 -15.864 -9.812 1.00 64.22 C ATOM 1440 C LEU A 84 3.053 -15.446 -10.101 1.00 22.45 C ATOM 1441 O LEU A 84 3.691 -15.986 -11.004 1.00 1.12 O ATOM 1442 CB LEU A 84 1.445 -17.363 -9.550 1.00 62.51 C ATOM 1443 CG LEU A 84 1.217 -17.766 -8.092 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.272 -17.984 -7.809 1.00 31.45 C ATOM 1445 CD2 LEU A 84 2.054 -18.993 -7.725 1.00 5.15 C ATOM 0 H LEU A 84 0.730 -16.090 -11.701 1.00 12.33 H new ATOM 0 HA LEU A 84 1.314 -15.368 -8.888 1.00 64.22 H new ATOM 0 HB2 LEU A 84 0.604 -17.725 -10.142 1.00 62.51 H new ATOM 0 HB3 LEU A 84 2.335 -17.876 -9.914 1.00 62.51 H new ATOM 0 HG LEU A 84 1.550 -16.946 -7.456 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.406 -18.270 -6.766 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.819 -17.062 -8.006 1.00 31.45 H new ATOM 0 HD13 LEU A 84 -0.653 -18.776 -8.454 1.00 31.45 H new ATOM 0 HD21 LEU A 84 1.873 -19.258 -6.683 1.00 5.15 H new ATOM 0 HD22 LEU A 84 1.775 -19.829 -8.366 1.00 5.15 H new ATOM 0 HD23 LEU A 84 3.111 -18.767 -7.864 1.00 5.15 H new ATOM 1457 N PRO A 85 3.539 -14.463 -9.296 1.00 73.14 N ATOM 1458 CA PRO A 85 4.896 -13.967 -9.456 1.00 54.01 C ATOM 1459 C PRO A 85 5.914 -14.968 -8.907 1.00 31.32 C ATOM 1460 O PRO A 85 5.557 -15.871 -8.152 1.00 23.50 O ATOM 1461 CB PRO A 85 4.916 -12.636 -8.723 1.00 13.52 C ATOM 1462 CG PRO A 85 3.715 -12.654 -7.791 1.00 42.32 C ATOM 1463 CD PRO A 85 2.813 -13.802 -8.217 1.00 13.01 C ATOM 0 HA PRO A 85 5.176 -13.835 -10.501 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.843 -12.513 -8.163 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.854 -11.803 -9.424 1.00 13.52 H new ATOM 0 HG2 PRO A 85 4.036 -12.783 -6.757 1.00 42.32 H new ATOM 0 HG3 PRO A 85 3.178 -11.707 -7.842 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.625 -14.486 -7.389 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.843 -13.438 -8.557 1.00 13.01 H new ATOM 1471 N PRO A 86 7.196 -14.768 -9.317 1.00 12.01 N ATOM 1472 CA PRO A 86 8.268 -15.642 -8.875 1.00 0.14 C ATOM 1473 C PRO A 86 8.651 -15.347 -7.423 1.00 13.22 C ATOM 1474 O PRO A 86 7.929 -14.645 -6.717 1.00 70.44 O ATOM 1475 CB PRO A 86 9.406 -15.393 -9.851 1.00 21.33 C ATOM 1476 CG PRO A 86 9.100 -14.062 -10.518 1.00 1.45 C ATOM 1477 CD PRO A 86 7.654 -13.708 -10.211 1.00 12.41 C ATOM 0 HA PRO A 86 7.982 -16.694 -8.877 1.00 0.14 H new ATOM 0 HB2 PRO A 86 10.364 -15.359 -9.333 1.00 21.33 H new ATOM 0 HB3 PRO A 86 9.470 -16.193 -10.588 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.770 -13.286 -10.147 1.00 1.45 H new ATOM 0 HG3 PRO A 86 9.256 -14.130 -11.595 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.578 -12.729 -9.737 1.00 12.41 H new ATOM 0 HD3 PRO A 86 7.054 -13.670 -11.120 1.00 12.41 H new ATOM 1485 N THR A 87 9.786 -15.900 -7.020 1.00 44.33 N ATOM 1486 CA THR A 87 10.273 -15.706 -5.665 1.00 62.41 C ATOM 1487 C THR A 87 11.306 -14.579 -5.627 1.00 30.31 C ATOM 1488 O THR A 87 11.374 -13.827 -4.657 1.00 14.22 O ATOM 1489 CB THR A 87 10.816 -17.045 -5.161 1.00 10.12 C ATOM 1490 OG1 THR A 87 12.153 -17.085 -5.651 1.00 55.12 O ATOM 1491 CG2 THR A 87 10.138 -18.241 -5.832 1.00 50.43 C ATOM 0 H THR A 87 10.382 -16.482 -7.608 1.00 44.33 H new ATOM 0 HA THR A 87 9.471 -15.392 -4.997 1.00 62.41 H new ATOM 0 HB THR A 87 10.680 -17.108 -4.081 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.580 -17.920 -5.368 1.00 55.12 H new ATOM 0 HG21 THR A 87 10.560 -19.166 -5.439 1.00 50.43 H new ATOM 0 HG22 THR A 87 9.068 -18.214 -5.627 1.00 50.43 H new ATOM 0 HG23 THR A 87 10.303 -18.196 -6.909 1.00 50.43 H new ATOM 1499 N ALA A 88 12.087 -14.498 -6.695 1.00 71.44 N ATOM 1500 CA ALA A 88 13.114 -13.475 -6.796 1.00 13.45 C ATOM 1501 C ALA A 88 12.481 -12.169 -7.280 1.00 44.20 C ATOM 1502 O ALA A 88 13.183 -11.191 -7.532 1.00 63.25 O ATOM 1503 CB ALA A 88 14.230 -13.961 -7.723 1.00 64.41 C ATOM 0 H ALA A 88 12.029 -15.124 -7.498 1.00 71.44 H new ATOM 0 HA ALA A 88 13.561 -13.283 -5.821 1.00 13.45 H new ATOM 0 HB1 ALA A 88 15.000 -13.193 -7.799 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.666 -14.875 -7.319 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.819 -14.162 -8.713 1.00 64.41 H new ATOM 1509 N ALA A 89 11.162 -12.195 -7.397 1.00 34.45 N ATOM 1510 CA ALA A 89 10.426 -11.026 -7.847 1.00 73.43 C ATOM 1511 C ALA A 89 10.342 -10.011 -6.705 1.00 42.11 C ATOM 1512 O ALA A 89 9.252 -9.664 -6.256 1.00 30.52 O ATOM 1513 CB ALA A 89 9.046 -11.453 -8.350 1.00 61.45 C ATOM 0 H ALA A 89 10.583 -13.008 -7.188 1.00 34.45 H new ATOM 0 HA ALA A 89 10.941 -10.545 -8.679 1.00 73.43 H new ATOM 0 HB1 ALA A 89 8.494 -10.576 -8.687 1.00 61.45 H new ATOM 0 HB2 ALA A 89 9.161 -12.151 -9.180 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.498 -11.937 -7.542 1.00 61.45 H new ATOM 1519 N LEU A 90 11.512 -9.562 -6.270 1.00 64.42 N ATOM 1520 CA LEU A 90 11.585 -8.593 -5.189 1.00 63.51 C ATOM 1521 C LEU A 90 10.276 -7.802 -5.130 1.00 52.21 C ATOM 1522 O LEU A 90 9.866 -7.199 -6.120 1.00 54.01 O ATOM 1523 CB LEU A 90 12.828 -7.716 -5.340 1.00 34.25 C ATOM 1524 CG LEU A 90 13.873 -7.833 -4.228 1.00 71.21 C ATOM 1525 CD1 LEU A 90 14.027 -9.286 -3.774 1.00 54.54 C ATOM 1526 CD2 LEU A 90 15.206 -7.222 -4.661 1.00 41.31 C ATOM 0 H LEU A 90 12.415 -9.851 -6.646 1.00 64.42 H new ATOM 0 HA LEU A 90 11.695 -9.099 -4.230 1.00 63.51 H new ATOM 0 HB2 LEU A 90 13.307 -7.960 -6.288 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.509 -6.676 -5.403 1.00 34.25 H new ATOM 0 HG LEU A 90 13.524 -7.262 -3.368 1.00 71.21 H new ATOM 0 HD11 LEU A 90 14.775 -9.343 -2.983 1.00 54.54 H new ATOM 0 HD12 LEU A 90 13.072 -9.653 -3.397 1.00 54.54 H new ATOM 0 HD13 LEU A 90 14.344 -9.899 -4.618 1.00 54.54 H new ATOM 0 HD21 LEU A 90 15.930 -7.319 -3.852 1.00 41.31 H new ATOM 0 HD22 LEU A 90 15.576 -7.744 -5.544 1.00 41.31 H new ATOM 0 HD23 LEU A 90 15.063 -6.167 -4.896 1.00 41.31 H new ATOM 1538 N MET A 91 9.657 -7.831 -3.959 1.00 32.43 N ATOM 1539 CA MET A 91 8.404 -7.123 -3.757 1.00 22.31 C ATOM 1540 C MET A 91 8.505 -5.679 -4.249 1.00 44.01 C ATOM 1541 O MET A 91 7.490 -5.042 -4.530 1.00 41.02 O ATOM 1542 CB MET A 91 8.046 -7.133 -2.270 1.00 61.30 C ATOM 1543 CG MET A 91 7.958 -8.564 -1.736 1.00 10.20 C ATOM 1544 SD MET A 91 6.536 -9.388 -2.432 1.00 71.21 S ATOM 1545 CE MET A 91 5.315 -8.097 -2.265 1.00 3.14 C ATOM 0 H MET A 91 10.000 -8.334 -3.140 1.00 32.43 H new ATOM 0 HA MET A 91 7.626 -7.628 -4.330 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.796 -6.577 -1.708 1.00 61.30 H new ATOM 0 HB3 MET A 91 7.093 -6.625 -2.118 1.00 61.30 H new ATOM 0 HG2 MET A 91 8.866 -9.112 -1.989 1.00 10.20 H new ATOM 0 HG3 MET A 91 7.885 -8.551 -0.648 1.00 10.20 H new ATOM 0 HE1 MET A 91 4.317 -8.530 -2.329 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.436 -7.604 -1.300 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.446 -7.367 -3.064 1.00 3.14 H new ATOM 1555 N SER A 92 9.737 -5.202 -4.339 1.00 61.22 N ATOM 1556 CA SER A 92 9.985 -3.843 -4.791 1.00 10.22 C ATOM 1557 C SER A 92 9.632 -3.714 -6.275 1.00 3.55 C ATOM 1558 O SER A 92 8.937 -2.781 -6.672 1.00 30.35 O ATOM 1559 CB SER A 92 11.441 -3.439 -4.554 1.00 12.35 C ATOM 1560 OG SER A 92 12.343 -4.504 -4.841 1.00 55.11 O ATOM 0 H SER A 92 10.576 -5.733 -4.106 1.00 61.22 H new ATOM 0 HA SER A 92 9.353 -3.169 -4.213 1.00 10.22 H new ATOM 0 HB2 SER A 92 11.685 -2.579 -5.178 1.00 12.35 H new ATOM 0 HB3 SER A 92 11.567 -3.127 -3.517 1.00 12.35 H new ATOM 0 HG SER A 92 12.971 -4.610 -4.097 1.00 55.11 H new ATOM 1566 N ALA A 93 10.129 -4.666 -7.053 1.00 51.43 N ATOM 1567 CA ALA A 93 9.876 -4.670 -8.482 1.00 44.32 C ATOM 1568 C ALA A 93 8.428 -5.091 -8.740 1.00 70.44 C ATOM 1569 O ALA A 93 7.918 -4.932 -9.847 1.00 35.31 O ATOM 1570 CB ALA A 93 10.883 -5.590 -9.177 1.00 51.33 C ATOM 0 H ALA A 93 10.705 -5.439 -6.719 1.00 51.43 H new ATOM 0 HA ALA A 93 10.007 -3.670 -8.896 1.00 44.32 H new ATOM 0 HB1 ALA A 93 10.693 -5.593 -10.250 1.00 51.33 H new ATOM 0 HB2 ALA A 93 11.895 -5.230 -8.989 1.00 51.33 H new ATOM 0 HB3 ALA A 93 10.780 -6.603 -8.788 1.00 51.33 H new ATOM 1576 N ILE A 94 7.805 -5.620 -7.696 1.00 40.34 N ATOM 1577 CA ILE A 94 6.427 -6.066 -7.793 1.00 0.42 C ATOM 1578 C ILE A 94 5.492 -4.888 -7.504 1.00 61.53 C ATOM 1579 O ILE A 94 4.496 -4.696 -8.200 1.00 44.40 O ATOM 1580 CB ILE A 94 6.188 -7.276 -6.888 1.00 24.11 C ATOM 1581 CG1 ILE A 94 7.168 -8.405 -7.214 1.00 53.44 C ATOM 1582 CG2 ILE A 94 4.733 -7.740 -6.965 1.00 24.34 C ATOM 1583 CD1 ILE A 94 6.815 -9.071 -8.546 1.00 10.40 C ATOM 0 H ILE A 94 8.231 -5.749 -6.778 1.00 40.34 H new ATOM 0 HA ILE A 94 6.209 -6.407 -8.805 1.00 0.42 H new ATOM 0 HB ILE A 94 6.375 -6.974 -5.857 1.00 24.11 H new ATOM 0 HG12 ILE A 94 8.182 -8.009 -7.259 1.00 53.44 H new ATOM 0 HG13 ILE A 94 7.151 -9.148 -6.416 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.591 -8.601 -6.312 1.00 24.34 H new ATOM 0 HG22 ILE A 94 4.076 -6.931 -6.647 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.494 -8.019 -7.991 1.00 24.34 H new ATOM 0 HD11 ILE A 94 7.527 -9.870 -8.753 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.809 -9.487 -8.489 1.00 10.40 H new ATOM 0 HD13 ILE A 94 6.857 -8.331 -9.345 1.00 10.40 H new ATOM 1595 N TYR A 95 5.848 -4.133 -6.476 1.00 51.15 N ATOM 1596 CA TYR A 95 5.055 -2.979 -6.086 1.00 20.24 C ATOM 1597 C TYR A 95 5.283 -1.807 -7.043 1.00 42.21 C ATOM 1598 O TYR A 95 4.635 -0.768 -6.923 1.00 45.41 O ATOM 1599 CB TYR A 95 5.542 -2.584 -4.690 1.00 42.53 C ATOM 1600 CG TYR A 95 5.368 -1.100 -4.367 1.00 20.22 C ATOM 1601 CD1 TYR A 95 4.164 -0.636 -3.876 1.00 32.12 C ATOM 1602 CD2 TYR A 95 6.413 -0.222 -4.567 1.00 42.40 C ATOM 1603 CE1 TYR A 95 3.999 0.761 -3.572 1.00 52.14 C ATOM 1604 CE2 TYR A 95 6.250 1.177 -4.264 1.00 23.54 C ATOM 1605 CZ TYR A 95 5.050 1.599 -3.781 1.00 24.44 C ATOM 1606 OH TYR A 95 4.895 2.918 -3.493 1.00 51.50 O ATOM 0 H TYR A 95 6.674 -4.297 -5.901 1.00 51.15 H new ATOM 0 HA TYR A 95 3.992 -3.220 -6.105 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.002 -3.172 -3.948 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.596 -2.844 -4.597 1.00 42.53 H new ATOM 0 HD1 TYR A 95 3.345 -1.322 -3.720 1.00 32.12 H new ATOM 0 HD2 TYR A 95 7.355 -0.584 -4.951 1.00 42.40 H new ATOM 0 HE1 TYR A 95 3.062 1.135 -3.187 1.00 52.14 H new ATOM 0 HE2 TYR A 95 7.061 1.874 -4.417 1.00 23.54 H new ATOM 0 HH TYR A 95 5.727 3.396 -3.690 1.00 51.50 H new ATOM 1616 N GLN A 96 6.205 -2.015 -7.972 1.00 41.34 N ATOM 1617 CA GLN A 96 6.527 -0.987 -8.949 1.00 40.14 C ATOM 1618 C GLN A 96 5.879 -1.316 -10.296 1.00 73.33 C ATOM 1619 O GLN A 96 5.863 -0.483 -11.201 1.00 35.05 O ATOM 1620 CB GLN A 96 8.041 -0.823 -9.093 1.00 62.44 C ATOM 1621 CG GLN A 96 8.439 -0.680 -10.564 1.00 73.05 C ATOM 1622 CD GLN A 96 9.952 -0.507 -10.707 1.00 52.22 C ATOM 1623 OE1 GLN A 96 10.559 0.380 -10.128 1.00 22.34 O ATOM 1624 NE2 GLN A 96 10.526 -1.400 -11.508 1.00 34.13 N ATOM 0 H GLN A 96 6.739 -2.879 -8.069 1.00 41.34 H new ATOM 0 HA GLN A 96 6.125 -0.037 -8.596 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.370 0.055 -8.536 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.547 -1.685 -8.658 1.00 62.44 H new ATOM 0 HG2 GLN A 96 8.116 -1.560 -11.119 1.00 73.05 H new ATOM 0 HG3 GLN A 96 7.928 0.178 -11.001 1.00 73.05 H new ATOM 0 HE21 GLN A 96 9.959 -2.117 -11.962 1.00 34.13 H new ATOM 0 HE22 GLN A 96 11.533 -1.368 -11.669 1.00 34.13 H new ATOM 1633 N GLU A 97 5.363 -2.533 -10.387 1.00 32.44 N ATOM 1634 CA GLU A 97 4.718 -2.982 -11.609 1.00 2.21 C ATOM 1635 C GLU A 97 3.264 -3.370 -11.329 1.00 41.50 C ATOM 1636 O GLU A 97 2.509 -3.672 -12.253 1.00 31.31 O ATOM 1637 CB GLU A 97 5.485 -4.146 -12.239 1.00 65.22 C ATOM 1638 CG GLU A 97 4.989 -5.488 -11.695 1.00 55.53 C ATOM 1639 CD GLU A 97 5.788 -6.649 -12.287 1.00 44.43 C ATOM 1640 OE1 GLU A 97 7.029 -6.625 -12.261 1.00 63.43 O ATOM 1641 OE2 GLU A 97 5.078 -7.602 -12.789 1.00 70.13 O ATOM 0 H GLU A 97 5.379 -3.222 -9.635 1.00 32.44 H new ATOM 0 HA GLU A 97 4.723 -2.159 -12.323 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.365 -4.122 -13.322 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.550 -4.038 -12.034 1.00 65.22 H new ATOM 0 HG2 GLU A 97 5.076 -5.499 -10.609 1.00 55.53 H new ATOM 0 HG3 GLU A 97 3.932 -5.612 -11.931 1.00 55.53 H new ATOM 1649 N HIS A 98 2.916 -3.351 -10.050 1.00 3.52 N ATOM 1650 CA HIS A 98 1.566 -3.698 -9.638 1.00 21.22 C ATOM 1651 C HIS A 98 0.948 -2.528 -8.869 1.00 61.24 C ATOM 1652 O HIS A 98 -0.104 -2.674 -8.249 1.00 1.42 O ATOM 1653 CB HIS A 98 1.561 -5.002 -8.839 1.00 32.21 C ATOM 1654 CG HIS A 98 1.802 -6.236 -9.675 1.00 32.35 C ATOM 1655 ND1 HIS A 98 1.420 -6.328 -11.001 1.00 41.32 N ATOM 1656 CD2 HIS A 98 2.392 -7.425 -9.361 1.00 62.03 C ATOM 1657 CE1 HIS A 98 1.768 -7.524 -11.454 1.00 52.14 C ATOM 1658 NE2 HIS A 98 2.369 -8.202 -10.436 1.00 24.24 N ATOM 0 H HIS A 98 3.545 -3.101 -9.287 1.00 3.52 H new ATOM 0 HA HIS A 98 0.947 -3.877 -10.517 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.327 -4.945 -8.065 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.602 -5.101 -8.331 1.00 32.21 H new ATOM 0 HD2 HIS A 98 2.808 -7.689 -8.400 1.00 62.03 H new ATOM 0 HE1 HIS A 98 1.604 -7.896 -12.455 1.00 52.14 H new ATOM 0 HE2 HIS A 98 2.740 -9.151 -10.491 1.00 24.24 H new ATOM 1667 N LYS A 99 1.630 -1.394 -8.933 1.00 12.51 N ATOM 1668 CA LYS A 99 1.162 -0.199 -8.250 1.00 13.43 C ATOM 1669 C LYS A 99 -0.129 0.288 -8.911 1.00 32.40 C ATOM 1670 O LYS A 99 -0.396 -0.031 -10.068 1.00 3.15 O ATOM 1671 CB LYS A 99 2.267 0.859 -8.203 1.00 4.34 C ATOM 1672 CG LYS A 99 2.553 1.413 -9.599 1.00 4.14 C ATOM 1673 CD LYS A 99 2.114 2.875 -9.709 1.00 12.25 C ATOM 1674 CE LYS A 99 1.749 3.230 -11.152 1.00 60.42 C ATOM 1675 NZ LYS A 99 0.551 4.098 -11.186 1.00 53.51 N ATOM 0 H LYS A 99 2.503 -1.277 -9.447 1.00 12.51 H new ATOM 0 HA LYS A 99 0.923 -0.423 -7.210 1.00 13.43 H new ATOM 0 HB2 LYS A 99 1.970 1.671 -7.539 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.176 0.423 -7.787 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.618 1.332 -9.815 1.00 4.14 H new ATOM 0 HG3 LYS A 99 2.030 0.815 -10.346 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.257 3.051 -9.059 1.00 12.25 H new ATOM 0 HD3 LYS A 99 2.916 3.527 -9.362 1.00 12.25 H new ATOM 0 HE2 LYS A 99 2.587 3.738 -11.631 1.00 60.42 H new ATOM 0 HE3 LYS A 99 1.561 2.319 -11.720 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.318 4.329 -12.173 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 -0.251 3.601 -10.748 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 0.743 4.975 -10.661 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.895 1.054 -8.147 1.00 41.20 N ATOM 1690 CA ASP A 100 -2.151 1.588 -8.645 1.00 31.41 C ATOM 1691 C ASP A 100 -2.211 3.090 -8.357 1.00 24.34 C ATOM 1692 O ASP A 100 -1.318 3.638 -7.711 1.00 10.10 O ATOM 1693 CB ASP A 100 -3.345 0.927 -7.952 1.00 64.51 C ATOM 1694 CG ASP A 100 -4.233 0.080 -8.864 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -3.766 -0.874 -9.507 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -5.471 0.438 -8.904 1.00 2.43 O ATOM 0 H ASP A 100 -0.670 1.317 -7.188 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.200 1.390 -9.716 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.974 0.297 -7.144 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -3.957 1.705 -7.494 1.00 64.51 H new ATOM 1702 N LYS A 101 -3.270 3.713 -8.850 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.458 5.141 -8.655 1.00 45.13 C ATOM 1704 C LYS A 101 -3.182 5.491 -7.191 1.00 14.41 C ATOM 1705 O LYS A 101 -2.416 6.409 -6.902 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.845 5.570 -9.139 1.00 61.03 C ATOM 1707 CG LYS A 101 -5.015 5.290 -10.633 1.00 1.14 C ATOM 1708 CD LYS A 101 -5.970 6.298 -11.275 1.00 13.14 C ATOM 1709 CE LYS A 101 -7.397 6.107 -10.758 1.00 51.00 C ATOM 1710 NZ LYS A 101 -8.289 7.158 -11.296 1.00 33.55 N ATOM 0 H LYS A 101 -4.008 3.255 -9.385 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.747 5.705 -9.258 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.611 5.037 -8.576 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -4.989 6.633 -8.946 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -4.045 5.337 -11.128 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -5.398 4.279 -10.776 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -5.634 7.312 -11.059 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -5.953 6.181 -12.359 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -7.767 5.124 -11.049 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -7.403 6.140 -9.669 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -9.253 7.013 -10.935 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -7.944 8.093 -10.997 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -8.297 7.108 -12.335 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.820 4.739 -6.306 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.653 4.960 -4.878 1.00 44.11 C ATOM 1726 C ASP A 102 -2.197 4.694 -4.494 1.00 52.35 C ATOM 1727 O ASP A 102 -1.670 5.320 -3.575 1.00 42.15 O ATOM 1728 CB ASP A 102 -4.538 4.010 -4.068 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.706 2.613 -4.669 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -5.808 2.227 -5.091 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -3.634 1.896 -4.694 1.00 40.41 O ATOM 0 H ASP A 102 -4.453 3.977 -6.549 1.00 24.54 H new ATOM 0 HA ASP A 102 -3.935 5.990 -4.659 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -4.118 3.910 -3.067 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -5.524 4.462 -3.956 1.00 5.45 H new ATOM 1737 N GLY A 103 -1.587 3.764 -5.214 1.00 12.34 N ATOM 1738 CA GLY A 103 -0.202 3.408 -4.960 1.00 1.51 C ATOM 1739 C GLY A 103 -0.109 2.116 -4.147 1.00 42.14 C ATOM 1740 O GLY A 103 0.778 1.295 -4.378 1.00 30.21 O ATOM 0 H GLY A 103 -2.028 3.246 -5.974 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.325 3.285 -5.906 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.292 4.217 -4.422 1.00 1.51 H new ATOM 1744 N PHE A 104 -1.036 1.975 -3.211 1.00 53.45 N ATOM 1745 CA PHE A 104 -1.069 0.796 -2.362 1.00 12.24 C ATOM 1746 C PHE A 104 -1.197 -0.478 -3.199 1.00 72.13 C ATOM 1747 O PHE A 104 -2.151 -0.634 -3.959 1.00 71.15 O ATOM 1748 CB PHE A 104 -2.302 0.927 -1.464 1.00 72.42 C ATOM 1749 CG PHE A 104 -2.028 1.634 -0.135 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -0.959 1.272 0.623 1.00 73.23 C ATOM 1751 CD2 PHE A 104 -2.856 2.627 0.289 1.00 30.24 C ATOM 1752 CE1 PHE A 104 -0.706 1.928 1.856 1.00 34.41 C ATOM 1753 CE2 PHE A 104 -2.604 3.284 1.523 1.00 70.41 C ATOM 1754 CZ PHE A 104 -1.534 2.921 2.280 1.00 62.30 C ATOM 0 H PHE A 104 -1.770 2.658 -3.022 1.00 53.45 H new ATOM 0 HA PHE A 104 -0.148 0.728 -1.783 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -3.075 1.474 -2.003 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -2.699 -0.068 -1.260 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -0.301 0.484 0.286 1.00 73.23 H new ATOM 0 HD2 PHE A 104 -3.705 2.916 -0.313 1.00 30.24 H new ATOM 0 HE1 PHE A 104 0.143 1.639 2.457 1.00 34.41 H new ATOM 0 HE2 PHE A 104 -3.262 4.071 1.860 1.00 70.41 H new ATOM 0 HZ PHE A 104 -1.342 3.421 3.218 1.00 62.30 H new ATOM 1764 N LEU A 105 -0.223 -1.359 -3.030 1.00 64.23 N ATOM 1765 CA LEU A 105 -0.214 -2.616 -3.759 1.00 0.04 C ATOM 1766 C LEU A 105 -1.431 -3.447 -3.349 1.00 11.52 C ATOM 1767 O LEU A 105 -1.845 -3.419 -2.191 1.00 74.42 O ATOM 1768 CB LEU A 105 1.121 -3.339 -3.562 1.00 42.33 C ATOM 1769 CG LEU A 105 2.043 -3.386 -4.783 1.00 21.41 C ATOM 1770 CD1 LEU A 105 1.713 -4.583 -5.675 1.00 42.30 C ATOM 1771 CD2 LEU A 105 1.999 -2.066 -5.554 1.00 71.12 C ATOM 0 H LEU A 105 0.567 -1.227 -2.398 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.298 -2.436 -4.831 1.00 0.04 H new ATOM 0 HB2 LEU A 105 1.657 -2.856 -2.745 1.00 42.33 H new ATOM 0 HB3 LEU A 105 0.915 -4.362 -3.247 1.00 42.33 H new ATOM 0 HG LEU A 105 3.066 -3.520 -4.433 1.00 21.41 H new ATOM 0 HD11 LEU A 105 2.383 -4.592 -6.535 1.00 42.30 H new ATOM 0 HD12 LEU A 105 1.839 -5.505 -5.108 1.00 42.30 H new ATOM 0 HD13 LEU A 105 0.682 -4.507 -6.020 1.00 42.30 H new ATOM 0 HD21 LEU A 105 2.663 -2.126 -6.416 1.00 71.12 H new ATOM 0 HD22 LEU A 105 0.980 -1.876 -5.893 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.322 -1.254 -4.903 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.969 -4.170 -4.321 1.00 53.40 N ATOM 1784 CA TYR A 106 -3.129 -5.007 -4.076 1.00 42.31 C ATOM 1785 C TYR A 106 -2.831 -6.470 -4.413 1.00 52.24 C ATOM 1786 O TYR A 106 -3.070 -6.913 -5.536 1.00 34.34 O ATOM 1787 CB TYR A 106 -4.225 -4.494 -5.012 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.934 -3.236 -4.508 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.698 -3.287 -3.360 1.00 44.43 C ATOM 1790 CD2 TYR A 106 -4.811 -2.049 -5.203 1.00 34.43 C ATOM 1791 CE1 TYR A 106 -6.366 -2.102 -2.886 1.00 41.03 C ATOM 1792 CE2 TYR A 106 -5.478 -0.864 -4.729 1.00 3.33 C ATOM 1793 CZ TYR A 106 -6.222 -0.949 -3.594 1.00 45.15 C ATOM 1794 OH TYR A 106 -6.853 0.170 -3.147 1.00 44.34 O ATOM 0 H TYR A 106 -1.622 -4.193 -5.280 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.420 -4.961 -3.027 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.787 -4.285 -5.988 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -4.964 -5.282 -5.156 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.795 -4.215 -2.817 1.00 44.43 H new ATOM 0 HD2 TYR A 106 -4.214 -2.009 -6.102 1.00 34.43 H new ATOM 0 HE1 TYR A 106 -6.967 -2.128 -1.989 1.00 41.03 H new ATOM 0 HE2 TYR A 106 -5.389 0.071 -5.263 1.00 3.33 H new ATOM 0 HH TYR A 106 -6.608 0.932 -3.713 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.315 -7.179 -3.420 1.00 22.34 N ATOM 1805 CA VAL A 107 -1.981 -8.583 -3.597 1.00 40.22 C ATOM 1806 C VAL A 107 -3.082 -9.446 -2.979 1.00 71.32 C ATOM 1807 O VAL A 107 -3.963 -8.934 -2.290 1.00 62.14 O ATOM 1808 CB VAL A 107 -0.597 -8.870 -3.012 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.645 -8.908 -1.482 1.00 53.13 C ATOM 1810 CG2 VAL A 107 -0.023 -10.171 -3.576 1.00 51.41 C ATOM 0 H VAL A 107 -2.120 -6.808 -2.490 1.00 22.34 H new ATOM 0 HA VAL A 107 -1.929 -8.832 -4.657 1.00 40.22 H new ATOM 0 HB VAL A 107 0.066 -8.057 -3.305 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.352 -9.114 -1.092 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -0.991 -7.946 -1.105 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -1.330 -9.692 -1.159 1.00 53.13 H new ATOM 0 HG21 VAL A 107 0.961 -10.352 -3.144 1.00 51.41 H new ATOM 0 HG22 VAL A 107 -0.686 -10.999 -3.327 1.00 51.41 H new ATOM 0 HG23 VAL A 107 0.066 -10.090 -4.659 1.00 51.41 H new ATOM 1820 N THR A 108 -2.996 -10.740 -3.247 1.00 21.14 N ATOM 1821 CA THR A 108 -3.975 -11.679 -2.726 1.00 55.41 C ATOM 1822 C THR A 108 -3.354 -13.070 -2.578 1.00 62.50 C ATOM 1823 O THR A 108 -2.627 -13.526 -3.460 1.00 11.44 O ATOM 1824 CB THR A 108 -5.195 -11.654 -3.649 1.00 74.21 C ATOM 1825 OG1 THR A 108 -5.175 -10.346 -4.213 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.516 -11.706 -2.876 1.00 22.42 C ATOM 0 H THR A 108 -2.263 -11.161 -3.818 1.00 21.14 H new ATOM 0 HA THR A 108 -4.301 -11.394 -1.726 1.00 55.41 H new ATOM 0 HB THR A 108 -5.145 -12.496 -4.340 1.00 74.21 H new ATOM 0 HG1 THR A 108 -5.932 -10.243 -4.826 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.349 -11.686 -3.578 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.558 -12.624 -2.289 1.00 22.42 H new ATOM 0 HG23 THR A 108 -6.582 -10.846 -2.210 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.662 -13.706 -1.458 1.00 43.11 N ATOM 1835 CA TYR A 109 -3.144 -15.035 -1.184 1.00 32.00 C ATOM 1836 C TYR A 109 -4.280 -16.050 -1.046 1.00 31.13 C ATOM 1837 O TYR A 109 -5.277 -15.784 -0.375 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.403 -14.932 0.150 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.275 -14.449 1.310 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.488 -13.098 1.497 1.00 61.31 C ATOM 1841 CD2 TYR A 109 -3.847 -15.363 2.171 1.00 21.34 C ATOM 1842 CE1 TYR A 109 -4.309 -12.643 2.588 1.00 51.34 C ATOM 1843 CE2 TYR A 109 -4.668 -14.907 3.263 1.00 12.40 C ATOM 1844 CZ TYR A 109 -4.858 -13.569 3.418 1.00 12.31 C ATOM 1845 OH TYR A 109 -5.633 -13.140 4.449 1.00 35.34 O ATOM 0 H TYR A 109 -4.265 -13.325 -0.729 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.499 -15.370 -1.996 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.991 -15.909 0.401 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.560 -14.251 0.034 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.039 -12.382 0.825 1.00 61.31 H new ATOM 0 HD2 TYR A 109 -3.679 -16.420 2.026 1.00 21.34 H new ATOM 0 HE1 TYR A 109 -4.485 -11.589 2.744 1.00 51.34 H new ATOM 0 HE2 TYR A 109 -5.123 -15.612 3.944 1.00 12.40 H new ATOM 0 HH TYR A 109 -5.958 -13.912 4.957 1.00 35.34 H new ATOM 1855 N SER A 110 -4.094 -17.191 -1.691 1.00 65.21 N ATOM 1856 CA SER A 110 -5.091 -18.247 -1.648 1.00 13.24 C ATOM 1857 C SER A 110 -4.408 -19.607 -1.480 1.00 41.23 C ATOM 1858 O SER A 110 -3.417 -19.894 -2.148 1.00 40.25 O ATOM 1859 CB SER A 110 -5.956 -18.240 -2.910 1.00 42.53 C ATOM 1860 OG SER A 110 -5.417 -19.077 -3.930 1.00 73.50 O ATOM 0 H SER A 110 -3.267 -17.408 -2.247 1.00 65.21 H new ATOM 0 HA SER A 110 -5.742 -18.067 -0.793 1.00 13.24 H new ATOM 0 HB2 SER A 110 -6.963 -18.574 -2.661 1.00 42.53 H new ATOM 0 HB3 SER A 110 -6.042 -17.220 -3.285 1.00 42.53 H new ATOM 0 HG SER A 110 -5.790 -18.816 -4.798 1.00 73.50 H new ATOM 1866 N GLY A 111 -4.966 -20.406 -0.583 1.00 54.34 N ATOM 1867 CA GLY A 111 -4.423 -21.727 -0.317 1.00 10.15 C ATOM 1868 C GLY A 111 -4.380 -22.568 -1.595 1.00 11.13 C ATOM 1869 O GLY A 111 -3.696 -23.590 -1.648 1.00 34.05 O ATOM 0 H GLY A 111 -5.789 -20.164 -0.031 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -3.419 -21.635 0.096 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.032 -22.230 0.434 1.00 10.15 H new ATOM 1873 N GLU A 112 -5.119 -22.108 -2.594 1.00 51.04 N ATOM 1874 CA GLU A 112 -5.174 -22.805 -3.868 1.00 65.25 C ATOM 1875 C GLU A 112 -4.295 -22.095 -4.899 1.00 62.14 C ATOM 1876 O GLU A 112 -4.455 -20.900 -5.138 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.616 -22.925 -4.365 1.00 35.22 C ATOM 1878 CG GLU A 112 -7.049 -21.656 -5.102 1.00 43.23 C ATOM 1879 CD GLU A 112 -8.574 -21.541 -5.145 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -9.153 -21.383 -6.230 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -9.159 -21.621 -3.998 1.00 41.42 O ATOM 0 H GLU A 112 -5.685 -21.261 -2.547 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.789 -23.815 -3.725 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -6.705 -23.784 -5.030 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -7.282 -23.105 -3.521 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -6.629 -20.781 -4.606 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -6.653 -21.668 -6.117 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.386 -22.862 -5.483 1.00 71.13 N ATOM 1890 CA ASN A 113 -2.481 -22.321 -6.483 1.00 34.31 C ATOM 1891 C ASN A 113 -3.118 -22.457 -7.868 1.00 20.23 C ATOM 1892 O ASN A 113 -2.438 -22.325 -8.884 1.00 34.14 O ATOM 1893 CB ASN A 113 -1.155 -23.085 -6.497 1.00 45.03 C ATOM 1894 CG ASN A 113 -0.205 -22.516 -7.553 1.00 12.10 C ATOM 1895 OD1 ASN A 113 0.375 -23.231 -8.352 1.00 30.35 O ATOM 1896 ND2 ASN A 113 -0.082 -21.193 -7.513 1.00 31.33 N ATOM 0 H ASN A 113 -3.257 -23.854 -5.283 1.00 71.13 H new ATOM 0 HA ASN A 113 -2.293 -21.276 -6.237 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -0.688 -23.028 -5.514 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -1.341 -24.140 -6.701 1.00 45.03 H new ATOM 0 HD21 ASN A 113 0.527 -20.717 -8.178 1.00 31.33 H new ATOM 0 HD22 ASN A 113 -0.597 -20.654 -6.817 1.00 31.33 H new ATOM 2441 N ILE B 629 4.596 -7.128 9.155 1.00 24.41 N ATOM 2442 CA ILE B 629 4.037 -6.711 7.879 1.00 43.42 C ATOM 2443 C ILE B 629 5.126 -6.770 6.806 1.00 31.11 C ATOM 2444 O ILE B 629 5.077 -6.029 5.825 1.00 23.45 O ATOM 2445 CB ILE B 629 3.375 -5.337 8.008 1.00 50.14 C ATOM 2446 CG1 ILE B 629 4.314 -4.337 8.688 1.00 52.51 C ATOM 2447 CG2 ILE B 629 2.030 -5.442 8.729 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.626 -4.203 7.913 1.00 61.41 C ATOM 0 HA ILE B 629 3.246 -7.393 7.569 1.00 43.42 H new ATOM 0 HB ILE B 629 3.174 -4.959 7.005 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.827 -3.364 8.757 1.00 52.51 H new ATOM 0 HG13 ILE B 629 4.521 -4.662 9.707 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.581 -4.452 8.807 1.00 41.43 H new ATOM 0 HG22 ILE B 629 1.366 -6.098 8.166 1.00 41.43 H new ATOM 0 HG23 ILE B 629 2.183 -5.851 9.728 1.00 41.43 H new ATOM 0 HD11 ILE B 629 6.275 -3.487 8.417 1.00 61.41 H new ATOM 0 HD12 ILE B 629 6.122 -5.172 7.867 1.00 61.41 H new ATOM 0 HD13 ILE B 629 5.417 -3.854 6.902 1.00 61.41 H new ATOM 2460 N ALA B 630 6.083 -7.659 7.029 1.00 41.41 N ATOM 2461 CA ALA B 630 7.181 -7.825 6.092 1.00 34.31 C ATOM 2462 C ALA B 630 7.031 -9.165 5.368 1.00 73.25 C ATOM 2463 O ALA B 630 8.020 -9.760 4.946 1.00 11.20 O ATOM 2464 CB ALA B 630 8.511 -7.714 6.841 1.00 15.34 C ATOM 0 H ALA B 630 6.121 -8.271 7.844 1.00 41.41 H new ATOM 0 HA ALA B 630 7.163 -7.039 5.337 1.00 34.31 H new ATOM 0 HB1 ALA B 630 9.335 -7.838 6.139 1.00 15.34 H new ATOM 0 HB2 ALA B 630 8.582 -6.734 7.314 1.00 15.34 H new ATOM 0 HB3 ALA B 630 8.564 -8.490 7.605 1.00 15.34 H new