USER MOD reduce.3.24.130724 H: found=0, std=0, add=929, rem=0, adj=24 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 39 SER OG : rot 84:sc= 0.67 USER MOD Set 1.2: A 110 SER OG : rot -177:sc= 0.0762 USER MOD Set 2.1: A 81 ASN : amide:sc= -3.5! C(o=-8.2!,f=-7.6!) USER MOD Set 2.2: A 98 HIS : no HD1:sc= -4.67! C(o=-8.2!,f=-7.6!) USER MOD Single : A 4 THR OG1 : rot -78:sc= -1.36! USER MOD Single : A 6 LYS NZ :NH3+ 161:sc= -0.112 (180deg=-0.747) USER MOD Single : A 7 SER OG : rot 23:sc= 0.899 USER MOD Single : A 9 TYR OH : rot -49:sc= -1.47! USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 142:sc= 0.699 USER MOD Single : A 27 ASN : amide:sc= -2.9! K(o=-2.9!,f=-0.034) USER MOD Single : A 33 CYS SG : rot -87:sc= -6.44! USER MOD Single : A 35 LYS NZ :NH3+ 153:sc= -0.697 (180deg=-1.84!) USER MOD Single : A 38 LYS NZ :NH3+ -164:sc= -0.123 (180deg=-0.528) USER MOD Single : A 46 LYS NZ :NH3+ -161:sc= 0 (180deg=-0.479) USER MOD Single : A 48 LYS NZ :NH3+ 152:sc= -4.05! (180deg=-5.83!) USER MOD Single : A 49 TYR OH : rot 180:sc= -4.41! USER MOD Single : A 56 THR OG1 : rot 120:sc= 0.173 USER MOD Single : A 59 GLN : amide:sc= -0.373 X(o=-0.37,f=0) USER MOD Single : A 62 TYR OH : rot 180:sc= -0.806 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= -0.149 USER MOD Single : A 91 MET CE :methyl -154:sc= -2.26! (180deg=-3.58!) USER MOD Single : A 92 SER OG : rot -31:sc= -2.28! USER MOD Single : A 95 TYR OH : rot 141:sc= 0.437 USER MOD Single : A 96 GLN : amide:sc= -0.241 X(o=-0.24,f=0) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0378) USER MOD Single : A 106 TYR OH : rot -150:sc= -2.9! USER MOD Single : A 108 THR OG1 : rot 180:sc= -1.08! USER MOD Single : A 109 TYR OH : rot 168:sc= 0.0368 USER MOD Single : A 113 ASN : amide:sc= -0.734 K(o=-0.73,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 69 N THR A 4 -11.296 -4.435 5.616 1.00 53.15 N ATOM 70 CA THR A 4 -11.283 -3.684 6.859 1.00 1.20 C ATOM 71 C THR A 4 -10.437 -2.417 6.708 1.00 34.02 C ATOM 72 O THR A 4 -10.975 -1.317 6.597 1.00 52.13 O ATOM 73 CB THR A 4 -10.790 -4.615 7.969 1.00 73.15 C ATOM 74 OG1 THR A 4 -9.451 -4.924 7.592 1.00 53.12 O ATOM 75 CG2 THR A 4 -11.502 -5.968 7.957 1.00 74.44 C ATOM 0 HA THR A 4 -12.283 -3.340 7.124 1.00 1.20 H new ATOM 0 HB THR A 4 -10.937 -4.136 8.937 1.00 73.15 H new ATOM 0 HG1 THR A 4 -9.459 -5.600 6.883 1.00 53.12 H new ATOM 0 HG21 THR A 4 -11.115 -6.590 8.764 1.00 74.44 H new ATOM 0 HG22 THR A 4 -12.572 -5.817 8.097 1.00 74.44 H new ATOM 0 HG23 THR A 4 -11.327 -6.463 7.002 1.00 74.44 H new ATOM 83 N PHE A 5 -9.128 -2.616 6.709 1.00 11.00 N ATOM 84 CA PHE A 5 -8.203 -1.504 6.574 1.00 22.31 C ATOM 85 C PHE A 5 -8.410 -0.777 5.243 1.00 41.51 C ATOM 86 O PHE A 5 -7.953 0.352 5.071 1.00 44.32 O ATOM 87 CB PHE A 5 -6.790 -2.090 6.605 1.00 64.21 C ATOM 88 CG PHE A 5 -5.688 -1.078 6.287 1.00 65.11 C ATOM 89 CD1 PHE A 5 -5.485 -0.673 5.005 1.00 75.11 C ATOM 90 CD2 PHE A 5 -4.911 -0.581 7.287 1.00 10.12 C ATOM 91 CE1 PHE A 5 -4.462 0.267 4.710 1.00 33.11 C ATOM 92 CE2 PHE A 5 -3.889 0.359 6.992 1.00 0.14 C ATOM 93 CZ PHE A 5 -3.685 0.763 5.710 1.00 2.25 C ATOM 0 H PHE A 5 -8.686 -3.530 6.801 1.00 11.00 H new ATOM 0 HA PHE A 5 -8.364 -0.787 7.379 1.00 22.31 H new ATOM 0 HB2 PHE A 5 -6.605 -2.514 7.592 1.00 64.21 H new ATOM 0 HB3 PHE A 5 -6.733 -2.911 5.890 1.00 64.21 H new ATOM 0 HD1 PHE A 5 -6.102 -1.066 4.211 1.00 75.11 H new ATOM 0 HD2 PHE A 5 -5.072 -0.902 8.306 1.00 10.12 H new ATOM 0 HE1 PHE A 5 -4.301 0.588 3.691 1.00 33.11 H new ATOM 0 HE2 PHE A 5 -3.273 0.754 7.787 1.00 0.14 H new ATOM 0 HZ PHE A 5 -2.907 1.477 5.486 1.00 2.25 H new ATOM 103 N LYS A 6 -9.101 -1.453 4.338 1.00 54.43 N ATOM 104 CA LYS A 6 -9.375 -0.885 3.028 1.00 61.10 C ATOM 105 C LYS A 6 -10.770 -0.258 3.031 1.00 23.11 C ATOM 106 O LYS A 6 -11.052 0.642 2.241 1.00 53.24 O ATOM 107 CB LYS A 6 -9.176 -1.937 1.936 1.00 72.11 C ATOM 108 CG LYS A 6 -9.377 -1.331 0.546 1.00 41.42 C ATOM 109 CD LYS A 6 -8.906 -2.293 -0.547 1.00 55.05 C ATOM 110 CE LYS A 6 -9.798 -3.535 -0.606 1.00 11.24 C ATOM 111 NZ LYS A 6 -11.216 -3.147 -0.771 1.00 41.43 N ATOM 0 H LYS A 6 -9.480 -2.389 4.485 1.00 54.43 H new ATOM 0 HA LYS A 6 -8.667 -0.087 2.803 1.00 61.10 H new ATOM 0 HB2 LYS A 6 -8.174 -2.359 2.011 1.00 72.11 H new ATOM 0 HB3 LYS A 6 -9.879 -2.757 2.084 1.00 72.11 H new ATOM 0 HG2 LYS A 6 -10.431 -1.095 0.398 1.00 41.42 H new ATOM 0 HG3 LYS A 6 -8.826 -0.393 0.472 1.00 41.42 H new ATOM 0 HD2 LYS A 6 -8.918 -1.786 -1.512 1.00 55.05 H new ATOM 0 HD3 LYS A 6 -7.875 -2.590 -0.355 1.00 55.05 H new ATOM 0 HE2 LYS A 6 -9.490 -4.172 -1.435 1.00 11.24 H new ATOM 0 HE3 LYS A 6 -9.679 -4.119 0.306 1.00 11.24 H new ATOM 0 HZ1 LYS A 6 -11.759 -3.960 -1.126 1.00 41.43 H new ATOM 0 HZ2 LYS A 6 -11.603 -2.847 0.146 1.00 41.43 H new ATOM 0 HZ3 LYS A 6 -11.284 -2.362 -1.449 1.00 41.43 H new ATOM 125 N SER A 7 -11.607 -0.757 3.929 1.00 32.24 N ATOM 126 CA SER A 7 -12.967 -0.257 4.045 1.00 10.10 C ATOM 127 C SER A 7 -13.051 0.769 5.177 1.00 13.42 C ATOM 128 O SER A 7 -14.131 1.268 5.487 1.00 63.35 O ATOM 129 CB SER A 7 -13.955 -1.399 4.289 1.00 44.33 C ATOM 130 OG SER A 7 -15.116 -0.960 4.989 1.00 52.21 O ATOM 0 H SER A 7 -11.370 -1.503 4.583 1.00 32.24 H new ATOM 0 HA SER A 7 -13.236 0.225 3.105 1.00 10.10 H new ATOM 0 HB2 SER A 7 -14.250 -1.833 3.334 1.00 44.33 H new ATOM 0 HB3 SER A 7 -13.464 -2.187 4.860 1.00 44.33 H new ATOM 0 HG SER A 7 -15.233 0.004 4.857 1.00 52.21 H new ATOM 136 N GLU A 8 -11.897 1.053 5.762 1.00 33.03 N ATOM 137 CA GLU A 8 -11.827 2.010 6.853 1.00 53.01 C ATOM 138 C GLU A 8 -11.883 3.440 6.309 1.00 75.05 C ATOM 139 O GLU A 8 -12.035 4.393 7.072 1.00 11.10 O ATOM 140 CB GLU A 8 -10.567 1.793 7.693 1.00 50.33 C ATOM 141 CG GLU A 8 -10.864 0.909 8.906 1.00 33.05 C ATOM 142 CD GLU A 8 -11.623 1.690 9.982 1.00 44.11 C ATOM 143 OE1 GLU A 8 -11.088 1.916 11.077 1.00 71.32 O ATOM 144 OE2 GLU A 8 -12.810 2.070 9.646 1.00 31.12 O ATOM 0 H GLU A 8 -11.003 0.637 5.501 1.00 33.03 H new ATOM 0 HA GLU A 8 -12.688 1.854 7.503 1.00 53.01 H new ATOM 0 HB2 GLU A 8 -9.793 1.330 7.081 1.00 50.33 H new ATOM 0 HB3 GLU A 8 -10.177 2.755 8.026 1.00 50.33 H new ATOM 0 HG2 GLU A 8 -11.452 0.045 8.596 1.00 33.05 H new ATOM 0 HG3 GLU A 8 -9.931 0.527 9.319 1.00 33.05 H new ATOM 152 N TYR A 9 -11.758 3.544 4.995 1.00 11.51 N ATOM 153 CA TYR A 9 -11.792 4.841 4.339 1.00 34.03 C ATOM 154 C TYR A 9 -11.873 4.685 2.820 1.00 13.04 C ATOM 155 O TYR A 9 -11.676 3.592 2.292 1.00 20.14 O ATOM 156 CB TYR A 9 -10.476 5.531 4.701 1.00 23.45 C ATOM 157 CG TYR A 9 -9.311 4.567 4.934 1.00 45.31 C ATOM 158 CD1 TYR A 9 -8.696 3.956 3.859 1.00 31.32 C ATOM 159 CD2 TYR A 9 -8.876 4.307 6.218 1.00 32.35 C ATOM 160 CE1 TYR A 9 -7.601 3.048 4.078 1.00 14.01 C ATOM 161 CE2 TYR A 9 -7.780 3.398 6.436 1.00 14.04 C ATOM 162 CZ TYR A 9 -7.196 2.814 5.355 1.00 24.23 C ATOM 163 OH TYR A 9 -6.161 1.957 5.563 1.00 62.13 O ATOM 0 H TYR A 9 -11.633 2.751 4.366 1.00 11.51 H new ATOM 0 HA TYR A 9 -12.664 5.411 4.660 1.00 34.03 H new ATOM 0 HB2 TYR A 9 -10.208 6.222 3.902 1.00 23.45 H new ATOM 0 HB3 TYR A 9 -10.626 6.128 5.601 1.00 23.45 H new ATOM 0 HD1 TYR A 9 -9.037 4.159 2.854 1.00 31.32 H new ATOM 0 HD2 TYR A 9 -9.357 4.785 7.059 1.00 32.35 H new ATOM 0 HE1 TYR A 9 -7.112 2.563 3.246 1.00 14.01 H new ATOM 0 HE2 TYR A 9 -7.430 3.185 7.435 1.00 14.04 H new ATOM 0 HH TYR A 9 -6.316 1.129 5.062 1.00 62.13 H new ATOM 173 N PRO A 10 -12.172 5.826 2.140 1.00 21.33 N ATOM 174 CA PRO A 10 -12.281 5.828 0.692 1.00 5.43 C ATOM 175 C PRO A 10 -10.900 5.758 0.038 1.00 23.30 C ATOM 176 O PRO A 10 -9.880 5.856 0.720 1.00 24.20 O ATOM 177 CB PRO A 10 -13.034 7.103 0.355 1.00 2.54 C ATOM 178 CG PRO A 10 -12.912 7.995 1.580 1.00 23.32 C ATOM 179 CD PRO A 10 -12.412 7.139 2.732 1.00 44.44 C ATOM 0 HA PRO A 10 -12.811 4.956 0.309 1.00 5.43 H new ATOM 0 HB2 PRO A 10 -12.609 7.587 -0.524 1.00 2.54 H new ATOM 0 HB3 PRO A 10 -14.079 6.891 0.128 1.00 2.54 H new ATOM 0 HG2 PRO A 10 -12.222 8.816 1.387 1.00 23.32 H new ATOM 0 HG3 PRO A 10 -13.876 8.440 1.826 1.00 23.32 H new ATOM 0 HD2 PRO A 10 -11.500 7.551 3.165 1.00 44.44 H new ATOM 0 HD3 PRO A 10 -13.149 7.084 3.533 1.00 44.44 H new ATOM 187 N PHE A 11 -10.910 5.591 -1.276 1.00 12.11 N ATOM 188 CA PHE A 11 -9.669 5.508 -2.030 1.00 25.15 C ATOM 189 C PHE A 11 -8.878 6.814 -1.929 1.00 3.34 C ATOM 190 O PHE A 11 -7.665 6.795 -1.735 1.00 13.02 O ATOM 191 CB PHE A 11 -10.051 5.267 -3.492 1.00 73.12 C ATOM 192 CG PHE A 11 -8.982 5.710 -4.495 1.00 53.51 C ATOM 193 CD1 PHE A 11 -8.854 7.025 -4.815 1.00 3.24 C ATOM 194 CD2 PHE A 11 -8.161 4.787 -5.064 1.00 64.31 C ATOM 195 CE1 PHE A 11 -7.863 7.436 -5.744 1.00 60.21 C ATOM 196 CE2 PHE A 11 -7.170 5.198 -5.994 1.00 0.24 C ATOM 197 CZ PHE A 11 -7.041 6.513 -6.315 1.00 72.02 C ATOM 0 H PHE A 11 -11.757 5.511 -1.839 1.00 12.11 H new ATOM 0 HA PHE A 11 -9.045 4.706 -1.635 1.00 25.15 H new ATOM 0 HB2 PHE A 11 -10.251 4.205 -3.635 1.00 73.12 H new ATOM 0 HB3 PHE A 11 -10.979 5.797 -3.707 1.00 73.12 H new ATOM 0 HD1 PHE A 11 -9.506 7.757 -4.362 1.00 3.24 H new ATOM 0 HD2 PHE A 11 -8.263 3.743 -4.809 1.00 64.31 H new ATOM 0 HE1 PHE A 11 -7.761 8.481 -5.998 1.00 60.21 H new ATOM 0 HE2 PHE A 11 -6.518 4.466 -6.447 1.00 0.24 H new ATOM 0 HZ PHE A 11 -6.287 6.825 -7.022 1.00 72.02 H new ATOM 207 N GLU A 12 -9.599 7.917 -2.068 1.00 32.21 N ATOM 208 CA GLU A 12 -8.980 9.230 -1.997 1.00 43.50 C ATOM 209 C GLU A 12 -8.287 9.416 -0.646 1.00 41.32 C ATOM 210 O GLU A 12 -7.474 10.324 -0.481 1.00 72.13 O ATOM 211 CB GLU A 12 -10.009 10.335 -2.241 1.00 61.12 C ATOM 212 CG GLU A 12 -10.458 10.352 -3.704 1.00 72.25 C ATOM 213 CD GLU A 12 -11.595 11.354 -3.917 1.00 53.25 C ATOM 214 OE1 GLU A 12 -12.770 10.959 -3.958 1.00 30.14 O ATOM 215 OE2 GLU A 12 -11.222 12.583 -4.038 1.00 20.32 O ATOM 0 H GLU A 12 -10.606 7.928 -2.229 1.00 32.21 H new ATOM 0 HA GLU A 12 -8.228 9.299 -2.783 1.00 43.50 H new ATOM 0 HB2 GLU A 12 -10.872 10.182 -1.594 1.00 61.12 H new ATOM 0 HB3 GLU A 12 -9.580 11.302 -1.977 1.00 61.12 H new ATOM 0 HG2 GLU A 12 -9.615 10.612 -4.344 1.00 72.25 H new ATOM 0 HG3 GLU A 12 -10.787 9.355 -3.999 1.00 72.25 H new ATOM 223 N LYS A 13 -8.632 8.540 0.287 1.00 5.43 N ATOM 224 CA LYS A 13 -8.051 8.596 1.617 1.00 64.41 C ATOM 225 C LYS A 13 -6.852 7.648 1.687 1.00 40.34 C ATOM 226 O LYS A 13 -5.759 8.052 2.080 1.00 3.22 O ATOM 227 CB LYS A 13 -9.118 8.317 2.679 1.00 65.01 C ATOM 228 CG LYS A 13 -8.481 8.115 4.056 1.00 14.12 C ATOM 229 CD LYS A 13 -7.865 9.417 4.570 1.00 72.31 C ATOM 230 CE LYS A 13 -8.825 10.593 4.377 1.00 2.41 C ATOM 231 NZ LYS A 13 -8.456 11.717 5.269 1.00 34.20 N ATOM 0 H LYS A 13 -9.307 7.788 0.148 1.00 5.43 H new ATOM 0 HA LYS A 13 -7.677 9.598 1.827 1.00 64.41 H new ATOM 0 HB2 LYS A 13 -9.823 9.148 2.719 1.00 65.01 H new ATOM 0 HB3 LYS A 13 -9.687 7.429 2.404 1.00 65.01 H new ATOM 0 HG2 LYS A 13 -9.234 7.761 4.761 1.00 14.12 H new ATOM 0 HG3 LYS A 13 -7.713 7.344 3.996 1.00 14.12 H new ATOM 0 HD2 LYS A 13 -7.618 9.314 5.627 1.00 72.31 H new ATOM 0 HD3 LYS A 13 -6.932 9.615 4.043 1.00 72.31 H new ATOM 0 HE2 LYS A 13 -8.801 10.923 3.338 1.00 2.41 H new ATOM 0 HE3 LYS A 13 -9.846 10.275 4.587 1.00 2.41 H new ATOM 0 HZ1 LYS A 13 -9.118 12.506 5.125 1.00 34.20 H new ATOM 0 HZ2 LYS A 13 -8.502 11.403 6.260 1.00 34.20 H new ATOM 0 HZ3 LYS A 13 -7.489 12.031 5.050 1.00 34.20 H new ATOM 245 N ARG A 14 -7.098 6.405 1.300 1.00 61.35 N ATOM 246 CA ARG A 14 -6.052 5.396 1.314 1.00 70.54 C ATOM 247 C ARG A 14 -4.939 5.773 0.334 1.00 72.40 C ATOM 248 O ARG A 14 -3.819 5.277 0.440 1.00 21.25 O ATOM 249 CB ARG A 14 -6.609 4.022 0.939 1.00 65.45 C ATOM 250 CG ARG A 14 -5.501 2.965 0.933 1.00 13.40 C ATOM 251 CD ARG A 14 -5.135 2.563 -0.498 1.00 22.22 C ATOM 252 NE ARG A 14 -6.324 2.019 -1.190 1.00 41.21 N ATOM 253 CZ ARG A 14 -7.102 2.733 -2.032 1.00 43.14 C ATOM 254 NH1 ARG A 14 -6.821 4.028 -2.293 1.00 33.03 N ATOM 255 NH2 ARG A 14 -8.141 2.145 -2.597 1.00 2.22 N ATOM 0 H ARG A 14 -8.006 6.074 0.975 1.00 61.35 H new ATOM 0 HA ARG A 14 -5.649 5.348 2.326 1.00 70.54 H new ATOM 0 HB2 ARG A 14 -7.387 3.735 1.647 1.00 65.45 H new ATOM 0 HB3 ARG A 14 -7.076 4.071 -0.045 1.00 65.45 H new ATOM 0 HG2 ARG A 14 -4.619 3.354 1.442 1.00 13.40 H new ATOM 0 HG3 ARG A 14 -5.828 2.086 1.489 1.00 13.40 H new ATOM 0 HD2 ARG A 14 -4.752 3.427 -1.041 1.00 22.22 H new ATOM 0 HD3 ARG A 14 -4.340 1.818 -0.483 1.00 22.22 H new ATOM 0 HE ARG A 14 -6.572 1.044 -1.021 1.00 41.21 H new ATOM 0 HH11 ARG A 14 -6.016 4.474 -1.853 1.00 33.03 H new ATOM 0 HH12 ARG A 14 -7.414 4.560 -2.930 1.00 33.03 H new ATOM 0 HH21 ARG A 14 -8.345 1.166 -2.395 1.00 2.22 H new ATOM 0 HH22 ARG A 14 -8.739 2.670 -3.235 1.00 2.22 H new ATOM 269 N LYS A 15 -5.286 6.648 -0.598 1.00 2.20 N ATOM 270 CA LYS A 15 -4.330 7.098 -1.597 1.00 31.35 C ATOM 271 C LYS A 15 -3.383 8.121 -0.966 1.00 5.31 C ATOM 272 O LYS A 15 -2.174 8.067 -1.181 1.00 31.23 O ATOM 273 CB LYS A 15 -5.056 7.615 -2.839 1.00 63.02 C ATOM 274 CG LYS A 15 -5.503 9.066 -2.649 1.00 33.43 C ATOM 275 CD LYS A 15 -6.104 9.629 -3.939 1.00 1.00 C ATOM 276 CE LYS A 15 -6.594 11.063 -3.735 1.00 21.04 C ATOM 277 NZ LYS A 15 -6.969 11.672 -5.030 1.00 61.42 N ATOM 0 H LYS A 15 -6.216 7.058 -0.683 1.00 2.20 H new ATOM 0 HA LYS A 15 -3.716 6.265 -1.940 1.00 31.35 H new ATOM 0 HB2 LYS A 15 -4.398 7.544 -3.705 1.00 63.02 H new ATOM 0 HB3 LYS A 15 -5.923 6.988 -3.045 1.00 63.02 H new ATOM 0 HG2 LYS A 15 -6.239 9.121 -1.847 1.00 33.43 H new ATOM 0 HG3 LYS A 15 -4.652 9.675 -2.344 1.00 33.43 H new ATOM 0 HD2 LYS A 15 -5.357 9.606 -4.733 1.00 1.00 H new ATOM 0 HD3 LYS A 15 -6.933 9.000 -4.263 1.00 1.00 H new ATOM 0 HE2 LYS A 15 -7.452 11.068 -3.062 1.00 21.04 H new ATOM 0 HE3 LYS A 15 -5.813 11.656 -3.260 1.00 21.04 H new ATOM 0 HZ1 LYS A 15 -7.299 12.646 -4.873 1.00 61.42 H new ATOM 0 HZ2 LYS A 15 -6.142 11.684 -5.660 1.00 61.42 H new ATOM 0 HZ3 LYS A 15 -7.730 11.115 -5.468 1.00 61.42 H new ATOM 291 N ALA A 16 -3.971 9.029 -0.200 1.00 43.45 N ATOM 292 CA ALA A 16 -3.195 10.063 0.463 1.00 33.41 C ATOM 293 C ALA A 16 -2.377 9.436 1.593 1.00 52.13 C ATOM 294 O ALA A 16 -1.469 10.066 2.132 1.00 11.03 O ATOM 295 CB ALA A 16 -4.134 11.163 0.962 1.00 50.03 C ATOM 0 H ALA A 16 -4.975 9.070 -0.024 1.00 43.45 H new ATOM 0 HA ALA A 16 -2.494 10.523 -0.233 1.00 33.41 H new ATOM 0 HB1 ALA A 16 -3.553 11.939 1.460 1.00 50.03 H new ATOM 0 HB2 ALA A 16 -4.669 11.596 0.117 1.00 50.03 H new ATOM 0 HB3 ALA A 16 -4.850 10.739 1.666 1.00 50.03 H new ATOM 301 N GLU A 17 -2.732 8.202 1.923 1.00 45.42 N ATOM 302 CA GLU A 17 -2.043 7.482 2.980 1.00 11.22 C ATOM 303 C GLU A 17 -0.691 6.969 2.480 1.00 13.51 C ATOM 304 O GLU A 17 0.305 7.030 3.199 1.00 44.12 O ATOM 305 CB GLU A 17 -2.902 6.334 3.512 1.00 32.21 C ATOM 306 CG GLU A 17 -2.082 5.403 4.408 1.00 41.44 C ATOM 307 CD GLU A 17 -1.693 6.101 5.712 1.00 1.55 C ATOM 308 OE1 GLU A 17 -2.264 7.150 6.049 1.00 64.25 O ATOM 309 OE2 GLU A 17 -0.764 5.516 6.388 1.00 63.21 O ATOM 0 H GLU A 17 -3.488 7.683 1.476 1.00 45.42 H new ATOM 0 HA GLU A 17 -1.865 8.172 3.805 1.00 11.22 H new ATOM 0 HB2 GLU A 17 -3.745 6.736 4.074 1.00 32.21 H new ATOM 0 HB3 GLU A 17 -3.317 5.769 2.677 1.00 32.21 H new ATOM 0 HG2 GLU A 17 -2.658 4.505 4.630 1.00 41.44 H new ATOM 0 HG3 GLU A 17 -1.183 5.083 3.880 1.00 41.44 H new ATOM 317 N SER A 18 -0.699 6.476 1.250 1.00 32.43 N ATOM 318 CA SER A 18 0.514 5.953 0.644 1.00 63.41 C ATOM 319 C SER A 18 1.413 7.107 0.193 1.00 73.40 C ATOM 320 O SER A 18 2.605 6.915 -0.038 1.00 73.04 O ATOM 321 CB SER A 18 0.189 5.039 -0.539 1.00 72.20 C ATOM 322 OG SER A 18 -1.026 5.411 -1.184 1.00 23.24 O ATOM 0 H SER A 18 -1.527 6.428 0.656 1.00 32.43 H new ATOM 0 HA SER A 18 1.042 5.360 1.391 1.00 63.41 H new ATOM 0 HB2 SER A 18 1.007 5.073 -1.259 1.00 72.20 H new ATOM 0 HB3 SER A 18 0.114 4.009 -0.191 1.00 72.20 H new ATOM 0 HG SER A 18 -0.930 5.297 -2.153 1.00 23.24 H new ATOM 328 N GLU A 19 0.804 8.279 0.081 1.00 72.31 N ATOM 329 CA GLU A 19 1.535 9.463 -0.338 1.00 1.34 C ATOM 330 C GLU A 19 2.584 9.838 0.709 1.00 3.30 C ATOM 331 O GLU A 19 3.774 9.909 0.403 1.00 22.02 O ATOM 332 CB GLU A 19 0.581 10.630 -0.602 1.00 51.31 C ATOM 333 CG GLU A 19 -0.174 10.433 -1.919 1.00 25.43 C ATOM 334 CD GLU A 19 0.606 11.026 -3.092 1.00 10.12 C ATOM 335 OE1 GLU A 19 1.770 11.423 -2.928 1.00 65.44 O ATOM 336 OE2 GLU A 19 -0.036 11.065 -4.210 1.00 13.54 O ATOM 0 H GLU A 19 -0.186 8.434 0.273 1.00 72.31 H new ATOM 0 HA GLU A 19 2.049 9.238 -1.272 1.00 1.34 H new ATOM 0 HB2 GLU A 19 -0.130 10.716 0.220 1.00 51.31 H new ATOM 0 HB3 GLU A 19 1.143 11.563 -0.637 1.00 51.31 H new ATOM 0 HG2 GLU A 19 -0.342 9.370 -2.090 1.00 25.43 H new ATOM 0 HG3 GLU A 19 -1.155 10.905 -1.854 1.00 25.43 H new ATOM 344 N ARG A 20 2.106 10.070 1.923 1.00 64.42 N ATOM 345 CA ARG A 20 2.988 10.436 3.018 1.00 61.32 C ATOM 346 C ARG A 20 3.960 9.293 3.322 1.00 72.54 C ATOM 347 O ARG A 20 5.055 9.524 3.832 1.00 12.42 O ATOM 348 CB ARG A 20 2.191 10.767 4.281 1.00 21.21 C ATOM 349 CG ARG A 20 1.335 9.576 4.717 1.00 4.23 C ATOM 350 CD ARG A 20 0.099 10.043 5.488 1.00 54.55 C ATOM 351 NE ARG A 20 -0.187 9.109 6.600 1.00 51.32 N ATOM 352 CZ ARG A 20 -0.926 9.427 7.684 1.00 55.13 C ATOM 353 NH1 ARG A 20 -1.461 10.659 7.811 1.00 61.44 N ATOM 354 NH2 ARG A 20 -1.116 8.514 8.618 1.00 74.03 N ATOM 0 H ARG A 20 1.119 10.012 2.172 1.00 64.42 H new ATOM 0 HA ARG A 20 3.546 11.321 2.712 1.00 61.32 H new ATOM 0 HB2 ARG A 20 2.874 11.042 5.085 1.00 21.21 H new ATOM 0 HB3 ARG A 20 1.552 11.630 4.096 1.00 21.21 H new ATOM 0 HG2 ARG A 20 1.027 9.005 3.841 1.00 4.23 H new ATOM 0 HG3 ARG A 20 1.927 8.907 5.342 1.00 4.23 H new ATOM 0 HD2 ARG A 20 0.262 11.047 5.879 1.00 54.55 H new ATOM 0 HD3 ARG A 20 -0.759 10.097 4.818 1.00 54.55 H new ATOM 0 HE ARG A 20 0.198 8.166 6.544 1.00 51.32 H new ATOM 0 HH11 ARG A 20 -1.308 11.359 7.085 1.00 61.44 H new ATOM 0 HH12 ARG A 20 -2.018 10.891 8.633 1.00 61.44 H new ATOM 0 HH21 ARG A 20 -0.707 7.585 8.514 1.00 74.03 H new ATOM 0 HH22 ARG A 20 -1.672 8.737 9.444 1.00 74.03 H new ATOM 368 N ILE A 21 3.525 8.085 2.995 1.00 62.20 N ATOM 369 CA ILE A 21 4.342 6.907 3.227 1.00 14.54 C ATOM 370 C ILE A 21 5.585 6.972 2.336 1.00 33.24 C ATOM 371 O ILE A 21 6.610 6.366 2.651 1.00 12.23 O ATOM 372 CB ILE A 21 3.515 5.635 3.034 1.00 70.13 C ATOM 373 CG1 ILE A 21 2.812 5.237 4.334 1.00 52.51 C ATOM 374 CG2 ILE A 21 4.377 4.499 2.479 1.00 40.52 C ATOM 375 CD1 ILE A 21 1.777 4.139 4.085 1.00 64.42 C ATOM 0 H ILE A 21 2.617 7.897 2.571 1.00 62.20 H new ATOM 0 HA ILE A 21 4.689 6.881 4.260 1.00 14.54 H new ATOM 0 HB ILE A 21 2.739 5.840 2.296 1.00 70.13 H new ATOM 0 HG12 ILE A 21 3.549 4.889 5.058 1.00 52.51 H new ATOM 0 HG13 ILE A 21 2.324 6.109 4.769 1.00 52.51 H new ATOM 0 HG21 ILE A 21 3.764 3.606 2.351 1.00 40.52 H new ATOM 0 HG22 ILE A 21 4.793 4.795 1.516 1.00 40.52 H new ATOM 0 HG23 ILE A 21 5.189 4.285 3.174 1.00 40.52 H new ATOM 0 HD11 ILE A 21 1.293 3.875 5.025 1.00 64.42 H new ATOM 0 HD12 ILE A 21 1.028 4.498 3.379 1.00 64.42 H new ATOM 0 HD13 ILE A 21 2.272 3.260 3.673 1.00 64.42 H new ATOM 387 N ALA A 22 5.456 7.712 1.245 1.00 53.32 N ATOM 388 CA ALA A 22 6.556 7.862 0.307 1.00 24.25 C ATOM 389 C ALA A 22 7.639 8.741 0.937 1.00 24.12 C ATOM 390 O ALA A 22 8.816 8.617 0.603 1.00 11.34 O ATOM 391 CB ALA A 22 6.030 8.437 -1.009 1.00 5.11 C ATOM 0 H ALA A 22 4.606 8.215 0.989 1.00 53.32 H new ATOM 0 HA ALA A 22 7.005 6.895 0.082 1.00 24.25 H new ATOM 0 HB1 ALA A 22 6.855 8.550 -1.712 1.00 5.11 H new ATOM 0 HB2 ALA A 22 5.285 7.762 -1.429 1.00 5.11 H new ATOM 0 HB3 ALA A 22 5.575 9.410 -0.825 1.00 5.11 H new ATOM 397 N ASP A 23 7.202 9.611 1.836 1.00 25.10 N ATOM 398 CA ASP A 23 8.118 10.510 2.515 1.00 52.05 C ATOM 399 C ASP A 23 8.659 9.827 3.772 1.00 73.32 C ATOM 400 O ASP A 23 9.868 9.817 4.006 1.00 52.31 O ATOM 401 CB ASP A 23 7.409 11.796 2.944 1.00 42.33 C ATOM 402 CG ASP A 23 8.339 12.930 3.387 1.00 74.04 C ATOM 403 OD1 ASP A 23 9.433 12.687 3.916 1.00 25.13 O ATOM 404 OD2 ASP A 23 7.893 14.120 3.166 1.00 10.42 O ATOM 0 H ASP A 23 6.225 9.712 2.110 1.00 25.10 H new ATOM 0 HA ASP A 23 8.924 10.755 1.824 1.00 52.05 H new ATOM 0 HB2 ASP A 23 6.798 12.151 2.114 1.00 42.33 H new ATOM 0 HB3 ASP A 23 6.729 11.563 3.763 1.00 42.33 H new ATOM 410 N ARG A 24 7.741 9.272 4.548 1.00 2.03 N ATOM 411 CA ARG A 24 8.111 8.588 5.775 1.00 72.20 C ATOM 412 C ARG A 24 9.026 7.401 5.466 1.00 42.41 C ATOM 413 O ARG A 24 10.029 7.192 6.145 1.00 42.21 O ATOM 414 CB ARG A 24 6.873 8.087 6.523 1.00 3.23 C ATOM 415 CG ARG A 24 7.049 8.233 8.035 1.00 41.44 C ATOM 416 CD ARG A 24 5.712 8.524 8.718 1.00 53.35 C ATOM 417 NE ARG A 24 5.019 7.256 9.036 1.00 3.11 N ATOM 418 CZ ARG A 24 5.201 6.561 10.179 1.00 64.41 C ATOM 419 NH1 ARG A 24 6.057 7.005 11.124 1.00 24.30 N ATOM 420 NH2 ARG A 24 4.529 5.438 10.360 1.00 54.54 N ATOM 0 H ARG A 24 6.740 9.282 4.351 1.00 2.03 H new ATOM 0 HA ARG A 24 8.638 9.303 6.406 1.00 72.20 H new ATOM 0 HB2 ARG A 24 5.996 8.648 6.200 1.00 3.23 H new ATOM 0 HB3 ARG A 24 6.692 7.041 6.274 1.00 3.23 H new ATOM 0 HG2 ARG A 24 7.479 7.319 8.444 1.00 41.44 H new ATOM 0 HG3 ARG A 24 7.752 9.039 8.247 1.00 41.44 H new ATOM 0 HD2 ARG A 24 5.878 9.096 9.631 1.00 53.35 H new ATOM 0 HD3 ARG A 24 5.087 9.136 8.067 1.00 53.35 H new ATOM 0 HE ARG A 24 4.363 6.884 8.349 1.00 3.11 H new ATOM 0 HH11 ARG A 24 6.573 7.873 10.978 1.00 24.30 H new ATOM 0 HH12 ARG A 24 6.188 6.473 11.984 1.00 24.30 H new ATOM 0 HH21 ARG A 24 3.884 5.108 9.642 1.00 54.54 H new ATOM 0 HH22 ARG A 24 4.655 4.901 11.218 1.00 54.54 H new ATOM 434 N PHE A 25 8.647 6.654 4.439 1.00 64.32 N ATOM 435 CA PHE A 25 9.420 5.494 4.031 1.00 21.45 C ATOM 436 C PHE A 25 9.434 5.351 2.508 1.00 22.31 C ATOM 437 O PHE A 25 8.584 4.669 1.936 1.00 4.20 O ATOM 438 CB PHE A 25 8.740 4.266 4.640 1.00 21.33 C ATOM 439 CG PHE A 25 8.240 4.477 6.070 1.00 40.00 C ATOM 440 CD1 PHE A 25 9.125 4.500 7.102 1.00 31.32 C ATOM 441 CD2 PHE A 25 6.911 4.640 6.310 1.00 62.14 C ATOM 442 CE1 PHE A 25 8.662 4.696 8.431 1.00 64.13 C ATOM 443 CE2 PHE A 25 6.448 4.836 7.638 1.00 33.12 C ATOM 444 CZ PHE A 25 7.333 4.860 8.670 1.00 35.34 C ATOM 0 H PHE A 25 7.814 6.830 3.877 1.00 64.32 H new ATOM 0 HA PHE A 25 10.451 5.598 4.369 1.00 21.45 H new ATOM 0 HB2 PHE A 25 7.898 3.980 4.010 1.00 21.33 H new ATOM 0 HB3 PHE A 25 9.442 3.433 4.631 1.00 21.33 H new ATOM 0 HD1 PHE A 25 10.180 4.369 6.912 1.00 31.32 H new ATOM 0 HD2 PHE A 25 6.208 4.620 5.490 1.00 62.14 H new ATOM 0 HE1 PHE A 25 9.365 4.715 9.251 1.00 64.13 H new ATOM 0 HE2 PHE A 25 5.393 4.966 7.828 1.00 33.12 H new ATOM 0 HZ PHE A 25 6.981 5.009 9.680 1.00 35.34 H new ATOM 454 N PRO A 26 10.434 6.024 1.877 1.00 41.11 N ATOM 455 CA PRO A 26 10.570 5.979 0.432 1.00 13.25 C ATOM 456 C PRO A 26 11.139 4.635 -0.025 1.00 62.02 C ATOM 457 O PRO A 26 10.905 4.207 -1.154 1.00 74.20 O ATOM 458 CB PRO A 26 11.470 7.154 0.084 1.00 14.12 C ATOM 459 CG PRO A 26 12.178 7.532 1.375 1.00 11.53 C ATOM 460 CD PRO A 26 11.457 6.842 2.521 1.00 22.31 C ATOM 0 HA PRO A 26 9.612 6.062 -0.082 1.00 13.25 H new ATOM 0 HB2 PRO A 26 12.188 6.881 -0.690 1.00 14.12 H new ATOM 0 HB3 PRO A 26 10.888 7.991 -0.302 1.00 14.12 H new ATOM 0 HG2 PRO A 26 13.223 7.225 1.341 1.00 11.53 H new ATOM 0 HG3 PRO A 26 12.168 8.613 1.513 1.00 11.53 H new ATOM 0 HD2 PRO A 26 12.142 6.230 3.108 1.00 22.31 H new ATOM 0 HD3 PRO A 26 11.013 7.567 3.203 1.00 22.31 H new ATOM 468 N ASN A 27 11.878 4.004 0.877 1.00 3.54 N ATOM 469 CA ASN A 27 12.483 2.718 0.582 1.00 53.31 C ATOM 470 C ASN A 27 11.597 1.602 1.140 1.00 42.04 C ATOM 471 O ASN A 27 12.097 0.644 1.729 1.00 41.30 O ATOM 472 CB ASN A 27 13.863 2.595 1.232 1.00 71.12 C ATOM 473 CG ASN A 27 14.928 3.304 0.393 1.00 53.14 C ATOM 474 OD1 ASN A 27 16.077 2.898 0.329 1.00 72.44 O ATOM 475 ND2 ASN A 27 14.485 4.384 -0.245 1.00 54.31 N ATOM 0 H ASN A 27 12.071 4.361 1.813 1.00 3.54 H new ATOM 0 HA ASN A 27 12.586 2.635 -0.500 1.00 53.31 H new ATOM 0 HB2 ASN A 27 13.837 3.025 2.233 1.00 71.12 H new ATOM 0 HB3 ASN A 27 14.124 1.543 1.344 1.00 71.12 H new ATOM 0 HD21 ASN A 27 15.120 4.927 -0.831 1.00 54.31 H new ATOM 0 HD22 ASN A 27 13.511 4.669 -0.149 1.00 54.31 H new ATOM 482 N ARG A 28 10.298 1.763 0.937 1.00 14.04 N ATOM 483 CA ARG A 28 9.339 0.783 1.412 1.00 70.34 C ATOM 484 C ARG A 28 8.406 0.357 0.276 1.00 20.11 C ATOM 485 O ARG A 28 8.385 0.985 -0.782 1.00 11.54 O ATOM 486 CB ARG A 28 8.504 1.343 2.565 1.00 32.42 C ATOM 487 CG ARG A 28 9.225 1.161 3.902 1.00 75.13 C ATOM 488 CD ARG A 28 9.466 -0.319 4.201 1.00 41.41 C ATOM 489 NE ARG A 28 9.123 -0.614 5.610 1.00 33.42 N ATOM 490 CZ ARG A 28 9.718 -0.031 6.671 1.00 25.54 C ATOM 491 NH1 ARG A 28 10.693 0.886 6.492 1.00 25.31 N ATOM 492 NH2 ARG A 28 9.334 -0.370 7.887 1.00 71.52 N ATOM 0 H ARG A 28 9.888 2.559 0.449 1.00 14.04 H new ATOM 0 HA ARG A 28 9.899 -0.081 1.770 1.00 70.34 H new ATOM 0 HB2 ARG A 28 8.306 2.401 2.395 1.00 32.42 H new ATOM 0 HB3 ARG A 28 7.538 0.840 2.597 1.00 32.42 H new ATOM 0 HG2 ARG A 28 10.178 1.690 3.880 1.00 75.13 H new ATOM 0 HG3 ARG A 28 8.632 1.605 4.702 1.00 75.13 H new ATOM 0 HD2 ARG A 28 8.863 -0.936 3.535 1.00 41.41 H new ATOM 0 HD3 ARG A 28 10.509 -0.571 4.012 1.00 41.41 H new ATOM 0 HE ARG A 28 8.391 -1.301 5.790 1.00 33.42 H new ATOM 0 HH11 ARG A 28 10.985 1.143 5.549 1.00 25.31 H new ATOM 0 HH12 ARG A 28 11.138 1.322 7.300 1.00 25.31 H new ATOM 0 HH21 ARG A 28 8.597 -1.064 8.014 1.00 71.52 H new ATOM 0 HH22 ARG A 28 9.774 0.062 8.700 1.00 71.52 H new ATOM 506 N ILE A 29 7.656 -0.704 0.534 1.00 73.21 N ATOM 507 CA ILE A 29 6.724 -1.221 -0.455 1.00 73.02 C ATOM 508 C ILE A 29 5.338 -1.349 0.178 1.00 4.10 C ATOM 509 O ILE A 29 5.062 -2.314 0.888 1.00 71.12 O ATOM 510 CB ILE A 29 7.249 -2.525 -1.056 1.00 63.20 C ATOM 511 CG1 ILE A 29 8.725 -2.397 -1.440 1.00 33.13 C ATOM 512 CG2 ILE A 29 6.386 -2.969 -2.238 1.00 31.31 C ATOM 513 CD1 ILE A 29 8.899 -1.480 -2.651 1.00 4.23 C ATOM 0 H ILE A 29 7.674 -1.220 1.414 1.00 73.21 H new ATOM 0 HA ILE A 29 6.631 -0.528 -1.291 1.00 73.02 H new ATOM 0 HB ILE A 29 7.181 -3.304 -0.296 1.00 63.20 H new ATOM 0 HG12 ILE A 29 9.291 -2.002 -0.596 1.00 33.13 H new ATOM 0 HG13 ILE A 29 9.133 -3.383 -1.664 1.00 33.13 H new ATOM 0 HG21 ILE A 29 6.781 -3.899 -2.648 1.00 31.31 H new ATOM 0 HG22 ILE A 29 5.361 -3.127 -1.901 1.00 31.31 H new ATOM 0 HG23 ILE A 29 6.400 -2.198 -3.009 1.00 31.31 H new ATOM 0 HD11 ILE A 29 9.957 -1.406 -2.903 1.00 4.23 H new ATOM 0 HD12 ILE A 29 8.352 -1.890 -3.500 1.00 4.23 H new ATOM 0 HD13 ILE A 29 8.512 -0.489 -2.415 1.00 4.23 H new ATOM 525 N PRO A 30 4.477 -0.335 -0.111 1.00 11.44 N ATOM 526 CA PRO A 30 3.125 -0.326 0.422 1.00 41.20 C ATOM 527 C PRO A 30 2.239 -1.334 -0.314 1.00 64.02 C ATOM 528 O PRO A 30 1.900 -1.133 -1.479 1.00 31.24 O ATOM 529 CB PRO A 30 2.651 1.109 0.265 1.00 23.13 C ATOM 530 CG PRO A 30 3.571 1.742 -0.768 1.00 14.13 C ATOM 531 CD PRO A 30 4.768 0.824 -0.949 1.00 23.23 C ATOM 0 HA PRO A 30 3.082 -0.633 1.467 1.00 41.20 H new ATOM 0 HB2 PRO A 30 1.612 1.143 -0.064 1.00 23.13 H new ATOM 0 HB3 PRO A 30 2.703 1.643 1.214 1.00 23.13 H new ATOM 0 HG2 PRO A 30 3.047 1.877 -1.714 1.00 14.13 H new ATOM 0 HG3 PRO A 30 3.893 2.730 -0.438 1.00 14.13 H new ATOM 0 HD2 PRO A 30 4.892 0.536 -1.993 1.00 23.23 H new ATOM 0 HD3 PRO A 30 5.692 1.313 -0.641 1.00 23.23 H new ATOM 539 N VAL A 31 1.890 -2.396 0.398 1.00 35.55 N ATOM 540 CA VAL A 31 1.050 -3.435 -0.173 1.00 53.01 C ATOM 541 C VAL A 31 -0.115 -3.721 0.776 1.00 30.13 C ATOM 542 O VAL A 31 -0.111 -3.275 1.923 1.00 73.51 O ATOM 543 CB VAL A 31 1.889 -4.676 -0.481 1.00 32.41 C ATOM 544 CG1 VAL A 31 3.269 -4.286 -1.016 1.00 75.34 C ATOM 545 CG2 VAL A 31 2.014 -5.574 0.752 1.00 45.11 C ATOM 0 H VAL A 31 2.173 -2.559 1.364 1.00 35.55 H new ATOM 0 HA VAL A 31 0.624 -3.104 -1.120 1.00 53.01 H new ATOM 0 HB VAL A 31 1.375 -5.243 -1.258 1.00 32.41 H new ATOM 0 HG11 VAL A 31 3.845 -5.187 -1.227 1.00 75.34 H new ATOM 0 HG12 VAL A 31 3.154 -3.706 -1.932 1.00 75.34 H new ATOM 0 HG13 VAL A 31 3.792 -3.687 -0.271 1.00 75.34 H new ATOM 0 HG21 VAL A 31 2.615 -6.449 0.505 1.00 45.11 H new ATOM 0 HG22 VAL A 31 2.494 -5.020 1.559 1.00 45.11 H new ATOM 0 HG23 VAL A 31 1.022 -5.894 1.071 1.00 45.11 H new ATOM 555 N ILE A 32 -1.084 -4.467 0.265 1.00 65.24 N ATOM 556 CA ILE A 32 -2.252 -4.818 1.055 1.00 51.12 C ATOM 557 C ILE A 32 -2.581 -6.297 0.837 1.00 43.11 C ATOM 558 O ILE A 32 -3.199 -6.659 -0.162 1.00 14.33 O ATOM 559 CB ILE A 32 -3.417 -3.877 0.737 1.00 11.34 C ATOM 560 CG1 ILE A 32 -2.920 -2.446 0.524 1.00 25.11 C ATOM 561 CG2 ILE A 32 -4.494 -3.954 1.819 1.00 63.41 C ATOM 562 CD1 ILE A 32 -2.544 -1.790 1.856 1.00 50.14 C ATOM 0 H ILE A 32 -1.084 -4.838 -0.685 1.00 65.24 H new ATOM 0 HA ILE A 32 -2.047 -4.687 2.118 1.00 51.12 H new ATOM 0 HB ILE A 32 -3.876 -4.202 -0.197 1.00 11.34 H new ATOM 0 HG12 ILE A 32 -2.055 -2.453 -0.139 1.00 25.11 H new ATOM 0 HG13 ILE A 32 -3.694 -1.858 0.031 1.00 25.11 H new ATOM 0 HG21 ILE A 32 -5.310 -3.276 1.569 1.00 63.41 H new ATOM 0 HG22 ILE A 32 -4.875 -4.973 1.881 1.00 63.41 H new ATOM 0 HG23 ILE A 32 -4.066 -3.668 2.780 1.00 63.41 H new ATOM 0 HD11 ILE A 32 -2.194 -0.774 1.675 1.00 50.14 H new ATOM 0 HD12 ILE A 32 -3.418 -1.762 2.507 1.00 50.14 H new ATOM 0 HD13 ILE A 32 -1.752 -2.366 2.335 1.00 50.14 H new ATOM 574 N CYS A 33 -2.154 -7.111 1.793 1.00 2.21 N ATOM 575 CA CYS A 33 -2.396 -8.541 1.719 1.00 35.42 C ATOM 576 C CYS A 33 -3.906 -8.778 1.786 1.00 3.32 C ATOM 577 O CYS A 33 -4.597 -8.173 2.603 1.00 43.20 O ATOM 578 CB CYS A 33 -1.651 -9.298 2.820 1.00 33.30 C ATOM 579 SG CYS A 33 -1.342 -11.024 2.296 1.00 13.01 S ATOM 0 H CYS A 33 -1.643 -6.807 2.621 1.00 2.21 H new ATOM 0 HA CYS A 33 -2.010 -8.929 0.776 1.00 35.42 H new ATOM 0 HB2 CYS A 33 -0.706 -8.801 3.038 1.00 33.30 H new ATOM 0 HB3 CYS A 33 -2.236 -9.288 3.739 1.00 33.30 H new ATOM 0 HG CYS A 33 -2.362 -11.764 2.615 1.00 13.01 H new ATOM 585 N GLU A 34 -4.374 -9.659 0.914 1.00 15.11 N ATOM 586 CA GLU A 34 -5.790 -9.982 0.864 1.00 60.01 C ATOM 587 C GLU A 34 -5.983 -11.488 0.668 1.00 42.00 C ATOM 588 O GLU A 34 -5.039 -12.202 0.334 1.00 21.50 O ATOM 589 CB GLU A 34 -6.494 -9.191 -0.239 1.00 74.13 C ATOM 590 CG GLU A 34 -7.690 -8.415 0.321 1.00 21.12 C ATOM 591 CD GLU A 34 -8.071 -7.256 -0.602 1.00 33.02 C ATOM 592 OE1 GLU A 34 -8.499 -7.486 -1.743 1.00 61.31 O ATOM 593 OE2 GLU A 34 -7.909 -6.080 -0.096 1.00 64.42 O ATOM 0 H GLU A 34 -3.798 -10.159 0.237 1.00 15.11 H new ATOM 0 HA GLU A 34 -6.242 -9.697 1.814 1.00 60.01 H new ATOM 0 HB2 GLU A 34 -5.790 -8.498 -0.701 1.00 74.13 H new ATOM 0 HB3 GLU A 34 -6.831 -9.871 -1.021 1.00 74.13 H new ATOM 0 HG2 GLU A 34 -8.541 -9.086 0.439 1.00 21.12 H new ATOM 0 HG3 GLU A 34 -7.448 -8.031 1.312 1.00 21.12 H new ATOM 601 N LYS A 35 -7.215 -11.927 0.883 1.00 12.15 N ATOM 602 CA LYS A 35 -7.546 -13.334 0.733 1.00 74.11 C ATOM 603 C LYS A 35 -8.592 -13.493 -0.370 1.00 65.13 C ATOM 604 O LYS A 35 -9.548 -12.721 -0.440 1.00 52.34 O ATOM 605 CB LYS A 35 -7.971 -13.929 2.077 1.00 54.43 C ATOM 606 CG LYS A 35 -7.618 -15.416 2.154 1.00 11.23 C ATOM 607 CD LYS A 35 -8.709 -16.273 1.507 1.00 11.40 C ATOM 608 CE LYS A 35 -9.872 -16.503 2.475 1.00 71.14 C ATOM 609 NZ LYS A 35 -10.923 -15.480 2.277 1.00 23.43 N ATOM 0 H LYS A 35 -7.996 -11.333 1.160 1.00 12.15 H new ATOM 0 HA LYS A 35 -6.669 -13.902 0.422 1.00 74.11 H new ATOM 0 HB2 LYS A 35 -7.479 -13.392 2.888 1.00 54.43 H new ATOM 0 HB3 LYS A 35 -9.045 -13.799 2.213 1.00 54.43 H new ATOM 0 HG2 LYS A 35 -6.666 -15.594 1.653 1.00 11.23 H new ATOM 0 HG3 LYS A 35 -7.490 -15.710 3.196 1.00 11.23 H new ATOM 0 HD2 LYS A 35 -9.074 -15.783 0.604 1.00 11.40 H new ATOM 0 HD3 LYS A 35 -8.290 -17.232 1.202 1.00 11.40 H new ATOM 0 HE2 LYS A 35 -10.291 -17.497 2.320 1.00 71.14 H new ATOM 0 HE3 LYS A 35 -9.510 -16.466 3.502 1.00 71.14 H new ATOM 0 HZ1 LYS A 35 -11.844 -15.868 2.564 1.00 23.43 H new ATOM 0 HZ2 LYS A 35 -10.705 -14.643 2.854 1.00 23.43 H new ATOM 0 HZ3 LYS A 35 -10.959 -15.209 1.274 1.00 23.43 H new ATOM 623 N ALA A 36 -8.378 -14.500 -1.204 1.00 44.15 N ATOM 624 CA ALA A 36 -9.292 -14.771 -2.300 1.00 42.21 C ATOM 625 C ALA A 36 -10.474 -15.594 -1.783 1.00 35.03 C ATOM 626 O ALA A 36 -10.286 -16.564 -1.051 1.00 61.54 O ATOM 627 CB ALA A 36 -8.540 -15.478 -3.430 1.00 55.13 C ATOM 0 H ALA A 36 -7.585 -15.138 -1.143 1.00 44.15 H new ATOM 0 HA ALA A 36 -9.690 -13.841 -2.705 1.00 42.21 H new ATOM 0 HB1 ALA A 36 -9.226 -15.681 -4.252 1.00 55.13 H new ATOM 0 HB2 ALA A 36 -7.730 -14.840 -3.783 1.00 55.13 H new ATOM 0 HB3 ALA A 36 -8.128 -16.417 -3.061 1.00 55.13 H new ATOM 633 N GLU A 37 -11.666 -15.174 -2.182 1.00 33.15 N ATOM 634 CA GLU A 37 -12.877 -15.860 -1.768 1.00 72.10 C ATOM 635 C GLU A 37 -12.875 -17.300 -2.282 1.00 21.01 C ATOM 636 O GLU A 37 -13.126 -18.236 -1.522 1.00 64.00 O ATOM 637 CB GLU A 37 -14.123 -15.109 -2.245 1.00 2.12 C ATOM 638 CG GLU A 37 -14.305 -15.255 -3.758 1.00 54.13 C ATOM 639 CD GLU A 37 -15.426 -14.346 -4.265 1.00 3.31 C ATOM 640 OE1 GLU A 37 -16.558 -14.812 -4.466 1.00 60.30 O ATOM 641 OE2 GLU A 37 -15.087 -13.115 -4.451 1.00 23.54 O ATOM 0 H GLU A 37 -11.818 -14.367 -2.787 1.00 33.15 H new ATOM 0 HA GLU A 37 -12.902 -15.885 -0.679 1.00 72.10 H new ATOM 0 HB2 GLU A 37 -15.003 -15.494 -1.730 1.00 2.12 H new ATOM 0 HB3 GLU A 37 -14.038 -14.054 -1.985 1.00 2.12 H new ATOM 0 HG2 GLU A 37 -13.373 -15.007 -4.266 1.00 54.13 H new ATOM 0 HG3 GLU A 37 -14.535 -16.292 -4.002 1.00 54.13 H new ATOM 649 N LYS A 38 -12.588 -17.436 -3.568 1.00 32.50 N ATOM 650 CA LYS A 38 -12.550 -18.747 -4.194 1.00 70.13 C ATOM 651 C LYS A 38 -11.788 -19.717 -3.286 1.00 34.33 C ATOM 652 O LYS A 38 -12.071 -20.914 -3.276 1.00 61.34 O ATOM 653 CB LYS A 38 -11.975 -18.650 -5.608 1.00 31.21 C ATOM 654 CG LYS A 38 -12.547 -17.439 -6.350 1.00 30.31 C ATOM 655 CD LYS A 38 -11.532 -16.296 -6.398 1.00 62.11 C ATOM 656 CE LYS A 38 -10.653 -16.394 -7.647 1.00 24.23 C ATOM 657 NZ LYS A 38 -9.549 -17.353 -7.428 1.00 2.33 N ATOM 0 H LYS A 38 -12.379 -16.659 -4.195 1.00 32.50 H new ATOM 0 HA LYS A 38 -13.559 -19.143 -4.312 1.00 70.13 H new ATOM 0 HB2 LYS A 38 -10.889 -18.571 -5.558 1.00 31.21 H new ATOM 0 HB3 LYS A 38 -12.203 -19.561 -6.161 1.00 31.21 H new ATOM 0 HG2 LYS A 38 -12.824 -17.727 -7.364 1.00 30.31 H new ATOM 0 HG3 LYS A 38 -13.457 -17.101 -5.855 1.00 30.31 H new ATOM 0 HD2 LYS A 38 -12.055 -15.340 -6.392 1.00 62.11 H new ATOM 0 HD3 LYS A 38 -10.906 -16.323 -5.506 1.00 62.11 H new ATOM 0 HE2 LYS A 38 -11.255 -16.711 -8.499 1.00 24.23 H new ATOM 0 HE3 LYS A 38 -10.247 -15.412 -7.891 1.00 24.23 H new ATOM 0 HZ1 LYS A 38 -8.819 -17.214 -8.156 1.00 2.33 H new ATOM 0 HZ2 LYS A 38 -9.134 -17.196 -6.487 1.00 2.33 H new ATOM 0 HZ3 LYS A 38 -9.916 -18.324 -7.487 1.00 2.33 H new ATOM 671 N SER A 39 -10.839 -19.164 -2.546 1.00 31.52 N ATOM 672 CA SER A 39 -10.036 -19.965 -1.639 1.00 23.13 C ATOM 673 C SER A 39 -10.915 -20.522 -0.517 1.00 61.22 C ATOM 674 O SER A 39 -12.079 -20.148 -0.390 1.00 52.33 O ATOM 675 CB SER A 39 -8.884 -19.146 -1.055 1.00 23.31 C ATOM 676 OG SER A 39 -7.734 -19.950 -0.797 1.00 4.43 O ATOM 0 H SER A 39 -10.608 -18.171 -2.556 1.00 31.52 H new ATOM 0 HA SER A 39 -9.607 -20.794 -2.202 1.00 23.13 H new ATOM 0 HB2 SER A 39 -8.620 -18.347 -1.748 1.00 23.31 H new ATOM 0 HB3 SER A 39 -9.209 -18.671 -0.129 1.00 23.31 H new ATOM 0 HG SER A 39 -7.205 -20.037 -1.617 1.00 4.43 H new ATOM 682 N ASP A 40 -10.321 -21.407 0.272 1.00 65.12 N ATOM 683 CA ASP A 40 -11.036 -22.020 1.380 1.00 2.54 C ATOM 684 C ASP A 40 -10.224 -21.841 2.664 1.00 55.42 C ATOM 685 O ASP A 40 -10.442 -22.551 3.645 1.00 54.00 O ATOM 686 CB ASP A 40 -11.231 -23.519 1.148 1.00 11.34 C ATOM 687 CG ASP A 40 -12.325 -24.166 1.998 1.00 55.40 C ATOM 688 OD1 ASP A 40 -12.189 -25.316 2.446 1.00 20.22 O ATOM 689 OD2 ASP A 40 -13.366 -23.433 2.200 1.00 14.32 O ATOM 0 H ASP A 40 -9.354 -21.714 0.166 1.00 65.12 H new ATOM 0 HA ASP A 40 -12.011 -21.539 1.461 1.00 2.54 H new ATOM 0 HB2 ASP A 40 -11.465 -23.681 0.096 1.00 11.34 H new ATOM 0 HB3 ASP A 40 -10.288 -24.028 1.347 1.00 11.34 H new ATOM 695 N ILE A 41 -9.304 -20.889 2.618 1.00 65.22 N ATOM 696 CA ILE A 41 -8.458 -20.609 3.765 1.00 75.43 C ATOM 697 C ILE A 41 -9.081 -19.480 4.590 1.00 34.44 C ATOM 698 O ILE A 41 -9.962 -18.768 4.109 1.00 24.44 O ATOM 699 CB ILE A 41 -7.023 -20.323 3.317 1.00 1.44 C ATOM 700 CG1 ILE A 41 -6.793 -18.820 3.139 1.00 4.10 C ATOM 701 CG2 ILE A 41 -6.677 -21.109 2.050 1.00 21.52 C ATOM 702 CD1 ILE A 41 -5.647 -18.553 2.162 1.00 2.30 C ATOM 0 H ILE A 41 -9.126 -20.301 1.803 1.00 65.22 H new ATOM 0 HA ILE A 41 -8.396 -21.483 4.414 1.00 75.43 H new ATOM 0 HB ILE A 41 -6.347 -20.662 4.102 1.00 1.44 H new ATOM 0 HG12 ILE A 41 -7.705 -18.350 2.772 1.00 4.10 H new ATOM 0 HG13 ILE A 41 -6.566 -18.366 4.104 1.00 4.10 H new ATOM 0 HG21 ILE A 41 -5.652 -20.888 1.753 1.00 21.52 H new ATOM 0 HG22 ILE A 41 -6.776 -22.177 2.246 1.00 21.52 H new ATOM 0 HG23 ILE A 41 -7.357 -20.823 1.247 1.00 21.52 H new ATOM 0 HD11 ILE A 41 -5.504 -17.478 2.053 1.00 2.30 H new ATOM 0 HD12 ILE A 41 -4.731 -19.004 2.544 1.00 2.30 H new ATOM 0 HD13 ILE A 41 -5.888 -18.987 1.191 1.00 2.30 H new ATOM 714 N PRO A 42 -8.585 -19.347 5.849 1.00 50.44 N ATOM 715 CA PRO A 42 -9.085 -18.317 6.744 1.00 24.42 C ATOM 716 C PRO A 42 -8.546 -16.940 6.351 1.00 24.50 C ATOM 717 O PRO A 42 -7.343 -16.774 6.153 1.00 43.12 O ATOM 718 CB PRO A 42 -8.643 -18.754 8.132 1.00 64.40 C ATOM 719 CG PRO A 42 -7.522 -19.758 7.915 1.00 30.21 C ATOM 720 CD PRO A 42 -7.542 -20.172 6.453 1.00 32.44 C ATOM 0 HA PRO A 42 -10.169 -18.211 6.700 1.00 24.42 H new ATOM 0 HB2 PRO A 42 -8.297 -17.903 8.718 1.00 64.40 H new ATOM 0 HB3 PRO A 42 -9.470 -19.204 8.682 1.00 64.40 H new ATOM 0 HG2 PRO A 42 -6.559 -19.317 8.173 1.00 30.21 H new ATOM 0 HG3 PRO A 42 -7.658 -20.627 8.559 1.00 30.21 H new ATOM 0 HD2 PRO A 42 -6.576 -19.999 5.979 1.00 32.44 H new ATOM 0 HD3 PRO A 42 -7.764 -21.234 6.345 1.00 32.44 H new ATOM 728 N GLU A 43 -9.462 -15.988 6.251 1.00 42.44 N ATOM 729 CA GLU A 43 -9.093 -14.631 5.884 1.00 50.22 C ATOM 730 C GLU A 43 -8.345 -13.956 7.035 1.00 11.31 C ATOM 731 O GLU A 43 -8.493 -14.349 8.190 1.00 21.42 O ATOM 732 CB GLU A 43 -10.325 -13.819 5.479 1.00 1.13 C ATOM 733 CG GLU A 43 -9.923 -12.557 4.714 1.00 32.10 C ATOM 734 CD GLU A 43 -11.084 -12.039 3.863 1.00 74.43 C ATOM 735 OE1 GLU A 43 -10.897 -11.752 2.670 1.00 70.25 O ATOM 736 OE2 GLU A 43 -12.211 -11.939 4.480 1.00 12.44 O ATOM 0 H GLU A 43 -10.458 -16.129 6.418 1.00 42.44 H new ATOM 0 HA GLU A 43 -8.429 -14.676 5.021 1.00 50.22 H new ATOM 0 HB2 GLU A 43 -10.980 -14.431 4.859 1.00 1.13 H new ATOM 0 HB3 GLU A 43 -10.892 -13.544 6.368 1.00 1.13 H new ATOM 0 HG2 GLU A 43 -9.610 -11.785 5.417 1.00 32.10 H new ATOM 0 HG3 GLU A 43 -9.067 -12.772 4.075 1.00 32.10 H new ATOM 744 N ILE A 44 -7.558 -12.952 6.678 1.00 60.22 N ATOM 745 CA ILE A 44 -6.788 -12.217 7.666 1.00 23.32 C ATOM 746 C ILE A 44 -7.724 -11.313 8.470 1.00 4.52 C ATOM 747 O ILE A 44 -8.894 -11.162 8.123 1.00 3.42 O ATOM 748 CB ILE A 44 -5.634 -11.467 6.997 1.00 42.45 C ATOM 749 CG1 ILE A 44 -4.676 -10.890 8.041 1.00 43.41 C ATOM 750 CG2 ILE A 44 -6.160 -10.391 6.044 1.00 73.53 C ATOM 751 CD1 ILE A 44 -3.294 -10.633 7.434 1.00 33.21 C ATOM 0 H ILE A 44 -7.437 -12.630 5.718 1.00 60.22 H new ATOM 0 HA ILE A 44 -6.324 -12.904 8.373 1.00 23.32 H new ATOM 0 HB ILE A 44 -5.065 -12.178 6.398 1.00 42.45 H new ATOM 0 HG12 ILE A 44 -5.082 -9.959 8.437 1.00 43.41 H new ATOM 0 HG13 ILE A 44 -4.586 -11.581 8.879 1.00 43.41 H new ATOM 0 HG21 ILE A 44 -5.320 -9.873 5.581 1.00 73.53 H new ATOM 0 HG22 ILE A 44 -6.770 -10.857 5.270 1.00 73.53 H new ATOM 0 HG23 ILE A 44 -6.765 -9.676 6.601 1.00 73.53 H new ATOM 0 HD11 ILE A 44 -2.632 -10.223 8.197 1.00 33.21 H new ATOM 0 HD12 ILE A 44 -2.881 -11.570 7.060 1.00 33.21 H new ATOM 0 HD13 ILE A 44 -3.384 -9.923 6.612 1.00 33.21 H new ATOM 763 N ASP A 45 -7.174 -10.735 9.528 1.00 33.03 N ATOM 764 CA ASP A 45 -7.946 -9.850 10.383 1.00 71.14 C ATOM 765 C ASP A 45 -8.117 -8.498 9.690 1.00 0.43 C ATOM 766 O ASP A 45 -9.209 -7.932 9.686 1.00 74.13 O ATOM 767 CB ASP A 45 -7.232 -9.612 11.715 1.00 41.02 C ATOM 768 CG ASP A 45 -7.479 -10.681 12.782 1.00 61.43 C ATOM 769 OD1 ASP A 45 -6.665 -10.868 13.698 1.00 63.25 O ATOM 770 OD2 ASP A 45 -8.575 -11.346 12.644 1.00 2.34 O ATOM 0 H ASP A 45 -6.203 -10.863 9.812 1.00 33.03 H new ATOM 0 HA ASP A 45 -8.912 -10.319 10.570 1.00 71.14 H new ATOM 0 HB2 ASP A 45 -6.160 -9.547 11.529 1.00 41.02 H new ATOM 0 HB3 ASP A 45 -7.546 -8.646 12.111 1.00 41.02 H new ATOM 776 N LYS A 46 -7.022 -8.019 9.119 1.00 54.04 N ATOM 777 CA LYS A 46 -7.036 -6.744 8.423 1.00 51.14 C ATOM 778 C LYS A 46 -6.211 -6.859 7.139 1.00 4.32 C ATOM 779 O LYS A 46 -5.501 -7.843 6.939 1.00 25.51 O ATOM 780 CB LYS A 46 -6.573 -5.620 9.352 1.00 35.22 C ATOM 781 CG LYS A 46 -5.045 -5.578 9.442 1.00 72.31 C ATOM 782 CD LYS A 46 -4.476 -6.963 9.755 1.00 10.44 C ATOM 783 CE LYS A 46 -3.069 -6.856 10.348 1.00 5.34 C ATOM 784 NZ LYS A 46 -2.276 -5.843 9.617 1.00 3.44 N ATOM 0 H LYS A 46 -6.118 -8.492 9.124 1.00 54.04 H new ATOM 0 HA LYS A 46 -8.052 -6.484 8.128 1.00 51.14 H new ATOM 0 HB2 LYS A 46 -6.946 -4.664 8.986 1.00 35.22 H new ATOM 0 HB3 LYS A 46 -6.996 -5.767 10.346 1.00 35.22 H new ATOM 0 HG2 LYS A 46 -4.632 -5.215 8.501 1.00 72.31 H new ATOM 0 HG3 LYS A 46 -4.742 -4.873 10.216 1.00 72.31 H new ATOM 0 HD2 LYS A 46 -5.132 -7.480 10.456 1.00 10.44 H new ATOM 0 HD3 LYS A 46 -4.447 -7.562 8.845 1.00 10.44 H new ATOM 0 HE2 LYS A 46 -3.132 -6.586 11.402 1.00 5.34 H new ATOM 0 HE3 LYS A 46 -2.571 -7.824 10.295 1.00 5.34 H new ATOM 0 HZ1 LYS A 46 -1.264 -5.998 9.798 1.00 3.44 H new ATOM 0 HZ2 LYS A 46 -2.462 -5.926 8.597 1.00 3.44 H new ATOM 0 HZ3 LYS A 46 -2.544 -4.892 9.942 1.00 3.44 H new ATOM 798 N ARG A 47 -6.334 -5.839 6.302 1.00 22.33 N ATOM 799 CA ARG A 47 -5.610 -5.813 5.043 1.00 73.31 C ATOM 800 C ARG A 47 -4.673 -4.603 4.993 1.00 10.15 C ATOM 801 O ARG A 47 -5.076 -3.519 4.579 1.00 4.24 O ATOM 802 CB ARG A 47 -6.572 -5.751 3.854 1.00 1.04 C ATOM 803 CG ARG A 47 -7.812 -4.923 4.195 1.00 52.44 C ATOM 804 CD ARG A 47 -8.856 -5.014 3.080 1.00 32.42 C ATOM 805 NE ARG A 47 -8.871 -6.380 2.512 1.00 24.35 N ATOM 806 CZ ARG A 47 -9.269 -7.478 3.188 1.00 51.53 C ATOM 807 NH1 ARG A 47 -9.689 -7.378 4.468 1.00 63.21 N ATOM 808 NH2 ARG A 47 -9.241 -8.649 2.581 1.00 1.01 N ATOM 0 H ARG A 47 -6.924 -5.025 6.471 1.00 22.33 H new ATOM 0 HA ARG A 47 -5.028 -6.732 4.978 1.00 73.31 H new ATOM 0 HB2 ARG A 47 -6.065 -5.315 2.993 1.00 1.04 H new ATOM 0 HB3 ARG A 47 -6.871 -6.760 3.570 1.00 1.04 H new ATOM 0 HG2 ARG A 47 -8.243 -5.276 5.132 1.00 52.44 H new ATOM 0 HG3 ARG A 47 -7.528 -3.882 4.348 1.00 52.44 H new ATOM 0 HD2 ARG A 47 -9.842 -4.763 3.472 1.00 32.42 H new ATOM 0 HD3 ARG A 47 -8.630 -4.289 2.298 1.00 32.42 H new ATOM 0 HE ARG A 47 -8.561 -6.499 1.548 1.00 24.35 H new ATOM 0 HH11 ARG A 47 -9.707 -6.468 4.929 1.00 63.21 H new ATOM 0 HH12 ARG A 47 -9.988 -8.212 4.973 1.00 63.21 H new ATOM 0 HH21 ARG A 47 -8.922 -8.715 1.614 1.00 1.01 H new ATOM 0 HH22 ARG A 47 -9.539 -9.488 3.078 1.00 1.01 H new ATOM 822 N LYS A 48 -3.442 -4.834 5.424 1.00 32.22 N ATOM 823 CA LYS A 48 -2.443 -3.777 5.435 1.00 13.13 C ATOM 824 C LYS A 48 -1.063 -4.386 5.687 1.00 65.41 C ATOM 825 O LYS A 48 -0.801 -4.911 6.768 1.00 32.21 O ATOM 826 CB LYS A 48 -2.828 -2.688 6.438 1.00 2.52 C ATOM 827 CG LYS A 48 -1.588 -1.954 6.953 1.00 31.03 C ATOM 828 CD LYS A 48 -0.881 -1.209 5.820 1.00 5.15 C ATOM 829 CE LYS A 48 0.594 -0.976 6.150 1.00 62.34 C ATOM 830 NZ LYS A 48 1.250 -0.196 5.078 1.00 61.43 N ATOM 0 H LYS A 48 -3.113 -5.736 5.768 1.00 32.22 H new ATOM 0 HA LYS A 48 -2.400 -3.284 4.464 1.00 13.13 H new ATOM 0 HB2 LYS A 48 -3.506 -1.977 5.966 1.00 2.52 H new ATOM 0 HB3 LYS A 48 -3.365 -3.133 7.275 1.00 2.52 H new ATOM 0 HG2 LYS A 48 -1.876 -1.249 7.732 1.00 31.03 H new ATOM 0 HG3 LYS A 48 -0.901 -2.668 7.408 1.00 31.03 H new ATOM 0 HD2 LYS A 48 -0.964 -1.782 4.897 1.00 5.15 H new ATOM 0 HD3 LYS A 48 -1.374 -0.252 5.647 1.00 5.15 H new ATOM 0 HE2 LYS A 48 0.681 -0.446 7.098 1.00 62.34 H new ATOM 0 HE3 LYS A 48 1.100 -1.933 6.273 1.00 62.34 H new ATOM 0 HZ1 LYS A 48 2.041 0.347 5.478 1.00 61.43 H new ATOM 0 HZ2 LYS A 48 1.609 -0.843 4.348 1.00 61.43 H new ATOM 0 HZ3 LYS A 48 0.561 0.458 4.653 1.00 61.43 H new ATOM 844 N TYR A 49 -0.218 -4.298 4.671 1.00 55.14 N ATOM 845 CA TYR A 49 1.129 -4.835 4.770 1.00 61.12 C ATOM 846 C TYR A 49 2.149 -3.872 4.157 1.00 45.23 C ATOM 847 O TYR A 49 2.053 -3.528 2.979 1.00 72.34 O ATOM 848 CB TYR A 49 1.125 -6.134 3.965 1.00 0.44 C ATOM 849 CG TYR A 49 0.613 -7.348 4.746 1.00 32.21 C ATOM 850 CD1 TYR A 49 -0.725 -7.448 5.065 1.00 44.50 C ATOM 851 CD2 TYR A 49 1.491 -8.341 5.129 1.00 4.35 C ATOM 852 CE1 TYR A 49 -1.206 -8.589 5.801 1.00 10.22 C ATOM 853 CE2 TYR A 49 1.010 -9.483 5.864 1.00 40.03 C ATOM 854 CZ TYR A 49 -0.314 -9.550 6.163 1.00 11.31 C ATOM 855 OH TYR A 49 -0.769 -10.629 6.857 1.00 30.03 O ATOM 0 H TYR A 49 -0.439 -3.863 3.775 1.00 55.14 H new ATOM 0 HA TYR A 49 1.405 -4.991 5.813 1.00 61.12 H new ATOM 0 HB2 TYR A 49 0.506 -5.998 3.078 1.00 0.44 H new ATOM 0 HB3 TYR A 49 2.138 -6.338 3.619 1.00 0.44 H new ATOM 0 HD1 TYR A 49 -1.412 -6.671 4.763 1.00 44.50 H new ATOM 0 HD2 TYR A 49 2.538 -8.262 4.878 1.00 4.35 H new ATOM 0 HE1 TYR A 49 -2.251 -8.679 6.059 1.00 10.22 H new ATOM 0 HE2 TYR A 49 1.686 -10.268 6.170 1.00 40.03 H new ATOM 0 HH TYR A 49 -0.022 -11.234 7.047 1.00 30.03 H new ATOM 865 N LEU A 50 3.102 -3.466 4.981 1.00 74.33 N ATOM 866 CA LEU A 50 4.138 -2.551 4.535 1.00 43.30 C ATOM 867 C LEU A 50 5.447 -3.320 4.348 1.00 30.44 C ATOM 868 O LEU A 50 6.347 -3.236 5.183 1.00 14.21 O ATOM 869 CB LEU A 50 4.256 -1.364 5.494 1.00 73.54 C ATOM 870 CG LEU A 50 4.669 -0.031 4.865 1.00 22.24 C ATOM 871 CD1 LEU A 50 6.182 0.030 4.654 1.00 24.21 C ATOM 872 CD2 LEU A 50 3.897 0.224 3.568 1.00 4.24 C ATOM 0 H LEU A 50 3.179 -3.754 5.956 1.00 74.33 H new ATOM 0 HA LEU A 50 3.876 -2.125 3.567 1.00 43.30 H new ATOM 0 HB2 LEU A 50 3.295 -1.227 5.990 1.00 73.54 H new ATOM 0 HB3 LEU A 50 4.981 -1.618 6.267 1.00 73.54 H new ATOM 0 HG LEU A 50 4.409 0.770 5.557 1.00 22.24 H new ATOM 0 HD11 LEU A 50 6.449 0.987 4.206 1.00 24.21 H new ATOM 0 HD12 LEU A 50 6.688 -0.075 5.614 1.00 24.21 H new ATOM 0 HD13 LEU A 50 6.490 -0.779 3.992 1.00 24.21 H new ATOM 0 HD21 LEU A 50 4.208 1.177 3.141 1.00 4.24 H new ATOM 0 HD22 LEU A 50 4.104 -0.577 2.858 1.00 4.24 H new ATOM 0 HD23 LEU A 50 2.828 0.254 3.780 1.00 4.24 H new ATOM 884 N VAL A 51 5.513 -4.055 3.246 1.00 34.04 N ATOM 885 CA VAL A 51 6.696 -4.840 2.940 1.00 63.40 C ATOM 886 C VAL A 51 7.805 -3.910 2.443 1.00 40.31 C ATOM 887 O VAL A 51 7.534 -2.930 1.749 1.00 53.13 O ATOM 888 CB VAL A 51 6.347 -5.942 1.937 1.00 5.34 C ATOM 889 CG1 VAL A 51 5.550 -5.380 0.759 1.00 22.24 C ATOM 890 CG2 VAL A 51 7.608 -6.662 1.453 1.00 42.33 C ATOM 0 H VAL A 51 4.766 -4.123 2.555 1.00 34.04 H new ATOM 0 HA VAL A 51 7.066 -5.339 3.836 1.00 63.40 H new ATOM 0 HB VAL A 51 5.719 -6.672 2.447 1.00 5.34 H new ATOM 0 HG11 VAL A 51 5.315 -6.184 0.062 1.00 22.24 H new ATOM 0 HG12 VAL A 51 4.624 -4.935 1.125 1.00 22.24 H new ATOM 0 HG13 VAL A 51 6.141 -4.619 0.250 1.00 22.24 H new ATOM 0 HG21 VAL A 51 7.332 -7.440 0.741 1.00 42.33 H new ATOM 0 HG22 VAL A 51 8.272 -5.946 0.969 1.00 42.33 H new ATOM 0 HG23 VAL A 51 8.119 -7.113 2.304 1.00 42.33 H new ATOM 900 N PRO A 52 9.062 -4.258 2.827 1.00 31.35 N ATOM 901 CA PRO A 52 10.213 -3.465 2.429 1.00 52.22 C ATOM 902 C PRO A 52 10.559 -3.703 0.957 1.00 45.42 C ATOM 903 O PRO A 52 9.953 -4.550 0.303 1.00 24.12 O ATOM 904 CB PRO A 52 11.326 -3.883 3.376 1.00 72.44 C ATOM 905 CG PRO A 52 10.895 -5.218 3.962 1.00 72.05 C ATOM 906 CD PRO A 52 9.420 -5.410 3.649 1.00 62.34 C ATOM 0 HA PRO A 52 10.030 -2.393 2.500 1.00 52.22 H new ATOM 0 HB2 PRO A 52 12.274 -3.977 2.847 1.00 72.44 H new ATOM 0 HB3 PRO A 52 11.471 -3.140 4.161 1.00 72.44 H new ATOM 0 HG2 PRO A 52 11.484 -6.030 3.536 1.00 72.05 H new ATOM 0 HG3 PRO A 52 11.062 -5.234 5.039 1.00 72.05 H new ATOM 0 HD2 PRO A 52 9.247 -6.345 3.117 1.00 62.34 H new ATOM 0 HD3 PRO A 52 8.823 -5.447 4.560 1.00 62.34 H new ATOM 914 N ALA A 53 11.532 -2.939 0.481 1.00 53.20 N ATOM 915 CA ALA A 53 11.968 -3.057 -0.901 1.00 13.10 C ATOM 916 C ALA A 53 13.085 -4.098 -0.992 1.00 64.41 C ATOM 917 O ALA A 53 13.840 -4.119 -1.963 1.00 65.24 O ATOM 918 CB ALA A 53 12.404 -1.684 -1.417 1.00 72.45 C ATOM 0 H ALA A 53 12.030 -2.236 1.027 1.00 53.20 H new ATOM 0 HA ALA A 53 11.149 -3.398 -1.535 1.00 13.10 H new ATOM 0 HB1 ALA A 53 12.731 -1.772 -2.453 1.00 72.45 H new ATOM 0 HB2 ALA A 53 11.565 -0.990 -1.359 1.00 72.45 H new ATOM 0 HB3 ALA A 53 13.227 -1.311 -0.807 1.00 72.45 H new ATOM 924 N ASP A 54 13.157 -4.935 0.032 1.00 11.31 N ATOM 925 CA ASP A 54 14.169 -5.976 0.079 1.00 24.43 C ATOM 926 C ASP A 54 13.488 -7.344 0.149 1.00 24.43 C ATOM 927 O ASP A 54 13.945 -8.302 -0.471 1.00 72.41 O ATOM 928 CB ASP A 54 15.055 -5.826 1.317 1.00 32.13 C ATOM 929 CG ASP A 54 15.378 -4.382 1.711 1.00 4.14 C ATOM 930 OD1 ASP A 54 15.195 -3.448 0.917 1.00 20.21 O ATOM 931 OD2 ASP A 54 15.842 -4.234 2.906 1.00 61.44 O ATOM 0 H ASP A 54 12.530 -4.913 0.836 1.00 11.31 H new ATOM 0 HA ASP A 54 14.782 -5.889 -0.818 1.00 24.43 H new ATOM 0 HB2 ASP A 54 14.564 -6.315 2.158 1.00 32.13 H new ATOM 0 HB3 ASP A 54 15.991 -6.357 1.142 1.00 32.13 H new ATOM 937 N LEU A 55 12.403 -7.390 0.908 1.00 53.33 N ATOM 938 CA LEU A 55 11.653 -8.624 1.068 1.00 33.10 C ATOM 939 C LEU A 55 11.140 -9.083 -0.299 1.00 55.22 C ATOM 940 O LEU A 55 10.587 -8.288 -1.057 1.00 73.35 O ATOM 941 CB LEU A 55 10.549 -8.450 2.112 1.00 22.25 C ATOM 942 CG LEU A 55 9.987 -9.739 2.717 1.00 42.04 C ATOM 943 CD1 LEU A 55 10.726 -10.109 4.003 1.00 33.21 C ATOM 944 CD2 LEU A 55 8.477 -9.628 2.934 1.00 41.11 C ATOM 0 H LEU A 55 12.025 -6.592 1.419 1.00 53.33 H new ATOM 0 HA LEU A 55 12.298 -9.415 1.450 1.00 33.10 H new ATOM 0 HB2 LEU A 55 10.936 -7.831 2.921 1.00 22.25 H new ATOM 0 HB3 LEU A 55 9.727 -7.899 1.654 1.00 22.25 H new ATOM 0 HG LEU A 55 10.152 -10.550 2.008 1.00 42.04 H new ATOM 0 HD11 LEU A 55 10.307 -11.028 4.412 1.00 33.21 H new ATOM 0 HD12 LEU A 55 11.784 -10.258 3.785 1.00 33.21 H new ATOM 0 HD13 LEU A 55 10.615 -9.305 4.730 1.00 33.21 H new ATOM 0 HD21 LEU A 55 8.102 -10.556 3.365 1.00 41.11 H new ATOM 0 HD22 LEU A 55 8.267 -8.802 3.613 1.00 41.11 H new ATOM 0 HD23 LEU A 55 7.985 -9.446 1.979 1.00 41.11 H new ATOM 956 N THR A 56 11.340 -10.365 -0.570 1.00 33.54 N ATOM 957 CA THR A 56 10.905 -10.939 -1.832 1.00 20.24 C ATOM 958 C THR A 56 9.471 -11.462 -1.713 1.00 22.22 C ATOM 959 O THR A 56 8.815 -11.258 -0.694 1.00 33.44 O ATOM 960 CB THR A 56 11.914 -12.018 -2.234 1.00 3.12 C ATOM 961 OG1 THR A 56 11.423 -13.200 -1.611 1.00 4.55 O ATOM 962 CG2 THR A 56 13.286 -11.801 -1.594 1.00 24.15 C ATOM 0 H THR A 56 11.797 -11.022 0.063 1.00 33.54 H new ATOM 0 HA THR A 56 10.880 -10.187 -2.621 1.00 20.24 H new ATOM 0 HB THR A 56 12.018 -12.034 -3.319 1.00 3.12 H new ATOM 0 HG1 THR A 56 11.231 -13.875 -2.295 1.00 4.55 H new ATOM 0 HG21 THR A 56 13.965 -12.593 -1.911 1.00 24.15 H new ATOM 0 HG22 THR A 56 13.684 -10.835 -1.906 1.00 24.15 H new ATOM 0 HG23 THR A 56 13.188 -11.820 -0.509 1.00 24.15 H new ATOM 970 N VAL A 57 9.029 -12.126 -2.770 1.00 60.44 N ATOM 971 CA VAL A 57 7.686 -12.679 -2.798 1.00 24.01 C ATOM 972 C VAL A 57 7.626 -13.908 -1.888 1.00 24.23 C ATOM 973 O VAL A 57 6.686 -14.067 -1.112 1.00 23.23 O ATOM 974 CB VAL A 57 7.273 -12.982 -4.240 1.00 35.30 C ATOM 975 CG1 VAL A 57 6.261 -14.127 -4.291 1.00 34.23 C ATOM 976 CG2 VAL A 57 6.724 -11.731 -4.927 1.00 3.30 C ATOM 0 H VAL A 57 9.577 -12.294 -3.614 1.00 60.44 H new ATOM 0 HA VAL A 57 6.967 -11.955 -2.415 1.00 24.01 H new ATOM 0 HB VAL A 57 8.163 -13.299 -4.785 1.00 35.30 H new ATOM 0 HG11 VAL A 57 5.984 -14.322 -5.327 1.00 34.23 H new ATOM 0 HG12 VAL A 57 6.704 -15.024 -3.859 1.00 34.23 H new ATOM 0 HG13 VAL A 57 5.372 -13.852 -3.723 1.00 34.23 H new ATOM 0 HG21 VAL A 57 6.438 -11.974 -5.950 1.00 3.30 H new ATOM 0 HG22 VAL A 57 5.852 -11.370 -4.382 1.00 3.30 H new ATOM 0 HG23 VAL A 57 7.491 -10.956 -4.939 1.00 3.30 H new ATOM 986 N GLY A 58 8.644 -14.747 -2.013 1.00 11.12 N ATOM 987 CA GLY A 58 8.720 -15.957 -1.212 1.00 42.23 C ATOM 988 C GLY A 58 9.001 -15.627 0.254 1.00 73.23 C ATOM 989 O GLY A 58 8.935 -16.503 1.116 1.00 60.02 O ATOM 0 H GLY A 58 9.423 -14.613 -2.657 1.00 11.12 H new ATOM 0 HA2 GLY A 58 7.784 -16.509 -1.291 1.00 42.23 H new ATOM 0 HA3 GLY A 58 9.506 -16.605 -1.600 1.00 42.23 H new ATOM 993 N GLN A 59 9.310 -14.361 0.494 1.00 64.11 N ATOM 994 CA GLN A 59 9.602 -13.905 1.843 1.00 61.51 C ATOM 995 C GLN A 59 8.347 -13.307 2.484 1.00 64.21 C ATOM 996 O GLN A 59 8.223 -13.281 3.707 1.00 44.31 O ATOM 997 CB GLN A 59 10.751 -12.895 1.842 1.00 30.41 C ATOM 998 CG GLN A 59 12.103 -13.602 1.736 1.00 65.32 C ATOM 999 CD GLN A 59 13.118 -12.996 2.707 1.00 74.31 C ATOM 1000 OE1 GLN A 59 12.988 -13.087 3.917 1.00 74.53 O ATOM 1001 NE2 GLN A 59 14.132 -12.374 2.112 1.00 1.14 N ATOM 0 H GLN A 59 9.365 -13.637 -0.222 1.00 64.11 H new ATOM 0 HA GLN A 59 9.916 -14.763 2.437 1.00 61.51 H new ATOM 0 HB2 GLN A 59 10.632 -12.204 1.007 1.00 30.41 H new ATOM 0 HB3 GLN A 59 10.718 -12.301 2.755 1.00 30.41 H new ATOM 0 HG2 GLN A 59 11.980 -14.664 1.950 1.00 65.32 H new ATOM 0 HG3 GLN A 59 12.479 -13.524 0.716 1.00 65.32 H new ATOM 0 HE21 GLN A 59 14.180 -12.335 1.094 1.00 1.14 H new ATOM 0 HE22 GLN A 59 14.862 -11.936 2.674 1.00 1.14 H new ATOM 1010 N PHE A 60 7.448 -12.843 1.629 1.00 0.21 N ATOM 1011 CA PHE A 60 6.208 -12.248 2.095 1.00 52.15 C ATOM 1012 C PHE A 60 5.210 -13.325 2.523 1.00 43.15 C ATOM 1013 O PHE A 60 4.547 -13.190 3.551 1.00 50.40 O ATOM 1014 CB PHE A 60 5.619 -11.460 0.924 1.00 50.40 C ATOM 1015 CG PHE A 60 4.483 -10.514 1.316 1.00 73.03 C ATOM 1016 CD1 PHE A 60 4.762 -9.328 1.920 1.00 51.21 C ATOM 1017 CD2 PHE A 60 3.192 -10.862 1.064 1.00 61.34 C ATOM 1018 CE1 PHE A 60 3.707 -8.451 2.285 1.00 1.22 C ATOM 1019 CE2 PHE A 60 2.138 -9.985 1.429 1.00 62.21 C ATOM 1020 CZ PHE A 60 2.417 -8.798 2.032 1.00 23.01 C ATOM 0 H PHE A 60 7.554 -12.867 0.615 1.00 0.21 H new ATOM 0 HA PHE A 60 6.404 -11.609 2.956 1.00 52.15 H new ATOM 0 HB2 PHE A 60 6.414 -10.881 0.454 1.00 50.40 H new ATOM 0 HB3 PHE A 60 5.251 -12.162 0.176 1.00 50.40 H new ATOM 0 HD1 PHE A 60 5.787 -9.053 2.122 1.00 51.21 H new ATOM 0 HD2 PHE A 60 2.970 -11.805 0.587 1.00 61.34 H new ATOM 0 HE1 PHE A 60 3.929 -7.509 2.763 1.00 1.22 H new ATOM 0 HE2 PHE A 60 1.113 -10.260 1.228 1.00 62.21 H new ATOM 0 HZ PHE A 60 1.614 -8.131 2.310 1.00 23.01 H new ATOM 1030 N VAL A 61 5.135 -14.372 1.714 1.00 32.35 N ATOM 1031 CA VAL A 61 4.228 -15.472 1.994 1.00 5.44 C ATOM 1032 C VAL A 61 4.382 -15.893 3.458 1.00 71.34 C ATOM 1033 O VAL A 61 3.413 -16.299 4.096 1.00 5.54 O ATOM 1034 CB VAL A 61 4.477 -16.619 1.013 1.00 43.14 C ATOM 1035 CG1 VAL A 61 3.603 -17.829 1.349 1.00 42.22 C ATOM 1036 CG2 VAL A 61 4.251 -16.163 -0.431 1.00 73.01 C ATOM 0 H VAL A 61 5.688 -14.482 0.864 1.00 32.35 H new ATOM 0 HA VAL A 61 3.193 -15.160 1.852 1.00 5.44 H new ATOM 0 HB VAL A 61 5.519 -16.923 1.110 1.00 43.14 H new ATOM 0 HG11 VAL A 61 3.800 -18.630 0.636 1.00 42.22 H new ATOM 0 HG12 VAL A 61 3.833 -18.176 2.356 1.00 42.22 H new ATOM 0 HG13 VAL A 61 2.552 -17.545 1.294 1.00 42.22 H new ATOM 0 HG21 VAL A 61 4.434 -16.997 -1.109 1.00 73.01 H new ATOM 0 HG22 VAL A 61 3.223 -15.820 -0.548 1.00 73.01 H new ATOM 0 HG23 VAL A 61 4.935 -15.347 -0.666 1.00 73.01 H new ATOM 1046 N TYR A 62 5.610 -15.782 3.945 1.00 14.20 N ATOM 1047 CA TYR A 62 5.904 -16.146 5.320 1.00 74.54 C ATOM 1048 C TYR A 62 5.097 -15.289 6.299 1.00 34.14 C ATOM 1049 O TYR A 62 4.622 -15.786 7.319 1.00 35.32 O ATOM 1050 CB TYR A 62 7.394 -15.863 5.523 1.00 44.14 C ATOM 1051 CG TYR A 62 7.752 -15.393 6.934 1.00 45.10 C ATOM 1052 CD1 TYR A 62 7.301 -16.098 8.031 1.00 62.34 C ATOM 1053 CD2 TYR A 62 8.527 -14.264 7.108 1.00 22.21 C ATOM 1054 CE1 TYR A 62 7.639 -15.655 9.360 1.00 24.35 C ATOM 1055 CE2 TYR A 62 8.864 -13.821 8.436 1.00 24.10 C ATOM 1056 CZ TYR A 62 8.403 -14.539 9.496 1.00 2.21 C ATOM 1057 OH TYR A 62 8.722 -14.121 10.751 1.00 63.13 O ATOM 0 H TYR A 62 6.412 -15.445 3.412 1.00 14.20 H new ATOM 0 HA TYR A 62 5.648 -17.190 5.503 1.00 74.54 H new ATOM 0 HB2 TYR A 62 7.959 -16.768 5.298 1.00 44.14 H new ATOM 0 HB3 TYR A 62 7.710 -15.104 4.807 1.00 44.14 H new ATOM 0 HD1 TYR A 62 6.695 -16.981 7.894 1.00 62.34 H new ATOM 0 HD2 TYR A 62 8.880 -13.713 6.249 1.00 22.21 H new ATOM 0 HE1 TYR A 62 7.293 -16.197 10.228 1.00 24.35 H new ATOM 0 HE2 TYR A 62 9.469 -12.939 8.587 1.00 24.10 H new ATOM 0 HH TYR A 62 9.273 -13.312 10.696 1.00 63.13 H new ATOM 1067 N VAL A 63 4.967 -14.017 5.953 1.00 52.24 N ATOM 1068 CA VAL A 63 4.226 -13.087 6.788 1.00 35.03 C ATOM 1069 C VAL A 63 2.736 -13.425 6.723 1.00 4.02 C ATOM 1070 O VAL A 63 2.052 -13.431 7.746 1.00 23.34 O ATOM 1071 CB VAL A 63 4.533 -11.647 6.367 1.00 11.21 C ATOM 1072 CG1 VAL A 63 3.842 -10.646 7.295 1.00 65.32 C ATOM 1073 CG2 VAL A 63 6.041 -11.399 6.318 1.00 44.31 C ATOM 0 H VAL A 63 5.362 -13.608 5.106 1.00 52.24 H new ATOM 0 HA VAL A 63 4.534 -13.180 7.829 1.00 35.03 H new ATOM 0 HB VAL A 63 4.138 -11.500 5.362 1.00 11.21 H new ATOM 0 HG11 VAL A 63 4.076 -9.631 6.974 1.00 65.32 H new ATOM 0 HG12 VAL A 63 2.763 -10.799 7.257 1.00 65.32 H new ATOM 0 HG13 VAL A 63 4.193 -10.794 8.316 1.00 65.32 H new ATOM 0 HG21 VAL A 63 6.231 -10.369 6.016 1.00 44.31 H new ATOM 0 HG22 VAL A 63 6.471 -11.573 7.304 1.00 44.31 H new ATOM 0 HG23 VAL A 63 6.498 -12.078 5.598 1.00 44.31 H new ATOM 1083 N ILE A 64 2.277 -13.698 5.511 1.00 25.51 N ATOM 1084 CA ILE A 64 0.879 -14.037 5.299 1.00 30.30 C ATOM 1085 C ILE A 64 0.570 -15.365 5.991 1.00 3.31 C ATOM 1086 O ILE A 64 -0.536 -15.566 6.493 1.00 53.34 O ATOM 1087 CB ILE A 64 0.547 -14.030 3.806 1.00 74.05 C ATOM 1088 CG1 ILE A 64 1.175 -12.820 3.110 1.00 52.44 C ATOM 1089 CG2 ILE A 64 -0.965 -14.101 3.579 1.00 22.42 C ATOM 1090 CD1 ILE A 64 1.071 -11.571 3.986 1.00 35.01 C ATOM 0 H ILE A 64 2.847 -13.692 4.665 1.00 25.51 H new ATOM 0 HA ILE A 64 0.232 -13.284 5.750 1.00 30.30 H new ATOM 0 HB ILE A 64 0.982 -14.922 3.356 1.00 74.05 H new ATOM 0 HG12 ILE A 64 2.222 -13.027 2.887 1.00 52.44 H new ATOM 0 HG13 ILE A 64 0.675 -12.644 2.158 1.00 52.44 H new ATOM 0 HG21 ILE A 64 -1.173 -14.094 2.509 1.00 22.42 H new ATOM 0 HG22 ILE A 64 -1.356 -15.018 4.019 1.00 22.42 H new ATOM 0 HG23 ILE A 64 -1.444 -13.241 4.047 1.00 22.42 H new ATOM 0 HD11 ILE A 64 1.524 -10.725 3.469 1.00 35.01 H new ATOM 0 HD12 ILE A 64 0.022 -11.354 4.187 1.00 35.01 H new ATOM 0 HD13 ILE A 64 1.593 -11.743 4.928 1.00 35.01 H new ATOM 1102 N ARG A 65 1.567 -16.239 5.998 1.00 63.25 N ATOM 1103 CA ARG A 65 1.416 -17.543 6.620 1.00 61.31 C ATOM 1104 C ARG A 65 1.616 -17.434 8.135 1.00 12.01 C ATOM 1105 O ARG A 65 1.467 -18.419 8.855 1.00 41.52 O ATOM 1106 CB ARG A 65 2.421 -18.546 6.052 1.00 31.34 C ATOM 1107 CG ARG A 65 1.928 -19.982 6.238 1.00 61.42 C ATOM 1108 CD ARG A 65 1.273 -20.506 4.958 1.00 12.15 C ATOM 1109 NE ARG A 65 2.291 -20.665 3.897 1.00 42.22 N ATOM 1110 CZ ARG A 65 3.008 -21.792 3.698 1.00 13.14 C ATOM 1111 NH1 ARG A 65 2.823 -22.870 4.491 1.00 33.44 N ATOM 1112 NH2 ARG A 65 3.893 -21.824 2.719 1.00 34.13 N ATOM 0 H ARG A 65 2.483 -16.069 5.582 1.00 63.25 H new ATOM 0 HA ARG A 65 0.408 -17.897 6.406 1.00 61.31 H new ATOM 0 HB2 ARG A 65 2.580 -18.347 4.992 1.00 31.34 H new ATOM 0 HB3 ARG A 65 3.384 -18.421 6.547 1.00 31.34 H new ATOM 0 HG2 ARG A 65 2.764 -20.625 6.512 1.00 61.42 H new ATOM 0 HG3 ARG A 65 1.213 -20.021 7.059 1.00 61.42 H new ATOM 0 HD2 ARG A 65 0.787 -21.462 5.153 1.00 12.15 H new ATOM 0 HD3 ARG A 65 0.497 -19.816 4.628 1.00 12.15 H new ATOM 0 HE ARG A 65 2.462 -19.874 3.277 1.00 42.22 H new ATOM 0 HH11 ARG A 65 2.138 -22.836 5.246 1.00 33.44 H new ATOM 0 HH12 ARG A 65 3.368 -23.718 4.335 1.00 33.44 H new ATOM 0 HH21 ARG A 65 4.027 -21.005 2.126 1.00 34.13 H new ATOM 0 HH22 ARG A 65 4.443 -22.668 2.556 1.00 34.13 H new ATOM 1126 N LYS A 66 1.946 -16.228 8.570 1.00 55.44 N ATOM 1127 CA LYS A 66 2.167 -15.979 9.986 1.00 1.33 C ATOM 1128 C LYS A 66 0.850 -15.556 10.636 1.00 70.51 C ATOM 1129 O LYS A 66 0.460 -16.100 11.667 1.00 24.42 O ATOM 1130 CB LYS A 66 3.301 -14.970 10.180 1.00 12.24 C ATOM 1131 CG LYS A 66 4.663 -15.667 10.174 1.00 14.13 C ATOM 1132 CD LYS A 66 5.138 -15.955 11.600 1.00 31.51 C ATOM 1133 CE LYS A 66 5.791 -14.718 12.220 1.00 71.45 C ATOM 1134 NZ LYS A 66 5.762 -14.802 13.699 1.00 62.23 N ATOM 0 H LYS A 66 2.066 -15.413 7.969 1.00 55.44 H new ATOM 0 HA LYS A 66 2.492 -16.890 10.488 1.00 1.33 H new ATOM 0 HB2 LYS A 66 3.267 -14.223 9.387 1.00 12.24 H new ATOM 0 HB3 LYS A 66 3.164 -14.440 11.123 1.00 12.24 H new ATOM 0 HG2 LYS A 66 4.596 -16.600 9.614 1.00 14.13 H new ATOM 0 HG3 LYS A 66 5.394 -15.040 9.663 1.00 14.13 H new ATOM 0 HD2 LYS A 66 4.293 -16.270 12.212 1.00 31.51 H new ATOM 0 HD3 LYS A 66 5.850 -16.780 11.590 1.00 31.51 H new ATOM 0 HE2 LYS A 66 6.821 -14.632 11.875 1.00 71.45 H new ATOM 0 HE3 LYS A 66 5.268 -13.820 11.891 1.00 71.45 H new ATOM 0 HZ1 LYS A 66 6.209 -13.955 14.104 1.00 62.23 H new ATOM 0 HZ2 LYS A 66 4.776 -14.862 14.024 1.00 62.23 H new ATOM 0 HZ3 LYS A 66 6.281 -15.649 14.009 1.00 62.23 H new ATOM 1148 N ARG A 67 0.201 -14.587 10.007 1.00 1.25 N ATOM 1149 CA ARG A 67 -1.067 -14.084 10.512 1.00 11.04 C ATOM 1150 C ARG A 67 -2.023 -15.244 10.795 1.00 10.11 C ATOM 1151 O ARG A 67 -2.355 -15.513 11.950 1.00 74.15 O ATOM 1152 CB ARG A 67 -1.718 -13.127 9.511 1.00 53.20 C ATOM 1153 CG ARG A 67 -1.307 -11.680 9.791 1.00 23.03 C ATOM 1154 CD ARG A 67 -2.154 -11.076 10.912 1.00 34.01 C ATOM 1155 NE ARG A 67 -1.600 -11.462 12.228 1.00 70.52 N ATOM 1156 CZ ARG A 67 -0.654 -10.760 12.888 1.00 73.13 C ATOM 1157 NH1 ARG A 67 -0.148 -9.627 12.356 1.00 21.20 N ATOM 1158 NH2 ARG A 67 -0.232 -11.198 14.059 1.00 2.44 N ATOM 0 H ARG A 67 0.529 -14.137 9.153 1.00 1.25 H new ATOM 0 HA ARG A 67 -0.865 -13.542 11.436 1.00 11.04 H new ATOM 0 HB2 ARG A 67 -1.427 -13.402 8.497 1.00 53.20 H new ATOM 0 HB3 ARG A 67 -2.803 -13.218 9.567 1.00 53.20 H new ATOM 0 HG2 ARG A 67 -0.253 -11.645 10.067 1.00 23.03 H new ATOM 0 HG3 ARG A 67 -1.419 -11.085 8.885 1.00 23.03 H new ATOM 0 HD2 ARG A 67 -2.173 -9.990 10.820 1.00 34.01 H new ATOM 0 HD3 ARG A 67 -3.185 -11.421 10.827 1.00 34.01 H new ATOM 0 HE ARG A 67 -1.955 -12.313 12.665 1.00 70.52 H new ATOM 0 HH11 ARG A 67 -0.480 -9.296 11.450 1.00 21.20 H new ATOM 0 HH12 ARG A 67 0.566 -9.102 12.860 1.00 21.20 H new ATOM 0 HH21 ARG A 67 -0.620 -12.055 14.453 1.00 2.44 H new ATOM 0 HH22 ARG A 67 0.482 -10.679 14.570 1.00 2.44 H new ATOM 1172 N ILE A 68 -2.439 -15.901 9.722 1.00 74.21 N ATOM 1173 CA ILE A 68 -3.351 -17.026 9.841 1.00 51.02 C ATOM 1174 C ILE A 68 -2.604 -18.221 10.434 1.00 1.12 C ATOM 1175 O ILE A 68 -3.209 -19.251 10.730 1.00 65.40 O ATOM 1176 CB ILE A 68 -4.015 -17.321 8.494 1.00 43.40 C ATOM 1177 CG1 ILE A 68 -2.986 -17.318 7.363 1.00 54.02 C ATOM 1178 CG2 ILE A 68 -5.166 -16.349 8.225 1.00 43.10 C ATOM 1179 CD1 ILE A 68 -3.480 -18.136 6.169 1.00 64.50 C ATOM 0 H ILE A 68 -2.161 -15.676 8.767 1.00 74.21 H new ATOM 0 HA ILE A 68 -4.165 -16.787 10.526 1.00 51.02 H new ATOM 0 HB ILE A 68 -4.443 -18.323 8.537 1.00 43.40 H new ATOM 0 HG12 ILE A 68 -2.789 -16.293 7.049 1.00 54.02 H new ATOM 0 HG13 ILE A 68 -2.043 -17.728 7.724 1.00 54.02 H new ATOM 0 HG21 ILE A 68 -5.620 -16.581 7.262 1.00 43.10 H new ATOM 0 HG22 ILE A 68 -5.914 -16.445 9.012 1.00 43.10 H new ATOM 0 HG23 ILE A 68 -4.784 -15.328 8.210 1.00 43.10 H new ATOM 0 HD11 ILE A 68 -2.729 -18.117 5.379 1.00 64.50 H new ATOM 0 HD12 ILE A 68 -3.653 -19.166 6.480 1.00 64.50 H new ATOM 0 HD13 ILE A 68 -4.410 -17.709 5.795 1.00 64.50 H new ATOM 1191 N MET A 69 -1.300 -18.046 10.590 1.00 12.12 N ATOM 1192 CA MET A 69 -0.464 -19.099 11.143 1.00 64.34 C ATOM 1193 C MET A 69 -0.838 -20.461 10.555 1.00 52.33 C ATOM 1194 O MET A 69 -0.936 -21.449 11.282 1.00 32.01 O ATOM 1195 CB MET A 69 -0.629 -19.136 12.663 1.00 12.53 C ATOM 1196 CG MET A 69 -2.068 -19.480 13.051 1.00 10.21 C ATOM 1197 SD MET A 69 -2.164 -19.826 14.799 1.00 12.40 S ATOM 1198 CE MET A 69 -3.086 -18.399 15.347 1.00 45.12 C ATOM 0 H MET A 69 -0.802 -17.191 10.343 1.00 12.12 H new ATOM 0 HA MET A 69 0.574 -18.886 10.887 1.00 64.34 H new ATOM 0 HB2 MET A 69 0.052 -19.873 13.088 1.00 12.53 H new ATOM 0 HB3 MET A 69 -0.356 -18.169 13.085 1.00 12.53 H new ATOM 0 HG2 MET A 69 -2.729 -18.651 12.799 1.00 10.21 H new ATOM 0 HG3 MET A 69 -2.410 -20.344 12.482 1.00 10.21 H new ATOM 0 HE1 MET A 69 -3.237 -18.455 16.425 1.00 45.12 H new ATOM 0 HE2 MET A 69 -2.531 -17.492 15.105 1.00 45.12 H new ATOM 0 HE3 MET A 69 -4.054 -18.377 14.846 1.00 45.12 H new ATOM 1208 N LEU A 70 -1.036 -20.471 9.245 1.00 62.43 N ATOM 1209 CA LEU A 70 -1.396 -21.695 8.551 1.00 10.14 C ATOM 1210 C LEU A 70 -0.368 -22.782 8.877 1.00 2.25 C ATOM 1211 O LEU A 70 0.827 -22.507 8.954 1.00 31.43 O ATOM 1212 CB LEU A 70 -1.561 -21.434 7.053 1.00 61.22 C ATOM 1213 CG LEU A 70 -2.722 -22.160 6.369 1.00 11.33 C ATOM 1214 CD1 LEU A 70 -4.003 -22.042 7.195 1.00 30.12 C ATOM 1215 CD2 LEU A 70 -2.915 -21.657 4.937 1.00 2.24 C ATOM 0 H LEU A 70 -0.954 -19.650 8.646 1.00 62.43 H new ATOM 0 HA LEU A 70 -2.365 -22.057 8.896 1.00 10.14 H new ATOM 0 HB2 LEU A 70 -1.690 -20.362 6.903 1.00 61.22 H new ATOM 0 HB3 LEU A 70 -0.636 -21.717 6.551 1.00 61.22 H new ATOM 0 HG LEU A 70 -2.475 -23.220 6.307 1.00 11.33 H new ATOM 0 HD11 LEU A 70 -4.813 -22.566 6.687 1.00 30.12 H new ATOM 0 HD12 LEU A 70 -3.844 -22.485 8.178 1.00 30.12 H new ATOM 0 HD13 LEU A 70 -4.267 -20.991 7.309 1.00 30.12 H new ATOM 0 HD21 LEU A 70 -3.746 -22.189 4.473 1.00 2.24 H new ATOM 0 HD22 LEU A 70 -3.131 -20.589 4.953 1.00 2.24 H new ATOM 0 HD23 LEU A 70 -2.005 -21.834 4.363 1.00 2.24 H new ATOM 1227 N PRO A 71 -0.887 -24.026 9.063 1.00 43.24 N ATOM 1228 CA PRO A 71 -0.029 -25.155 9.379 1.00 13.55 C ATOM 1229 C PRO A 71 0.739 -25.622 8.140 1.00 75.31 C ATOM 1230 O PRO A 71 0.456 -25.182 7.027 1.00 21.12 O ATOM 1231 CB PRO A 71 -0.964 -26.215 9.933 1.00 61.24 C ATOM 1232 CG PRO A 71 -2.359 -25.823 9.479 1.00 24.13 C ATOM 1233 CD PRO A 71 -2.298 -24.388 8.979 1.00 33.31 C ATOM 0 HA PRO A 71 0.745 -24.907 10.106 1.00 13.55 H new ATOM 0 HB2 PRO A 71 -0.696 -27.204 9.561 1.00 61.24 H new ATOM 0 HB3 PRO A 71 -0.905 -26.257 11.021 1.00 61.24 H new ATOM 0 HG2 PRO A 71 -2.705 -26.489 8.688 1.00 24.13 H new ATOM 0 HG3 PRO A 71 -3.068 -25.911 10.302 1.00 24.13 H new ATOM 0 HD2 PRO A 71 -2.667 -24.309 7.956 1.00 33.31 H new ATOM 0 HD3 PRO A 71 -2.913 -23.729 9.592 1.00 33.31 H new ATOM 1241 N PRO A 72 1.721 -26.532 8.381 1.00 11.43 N ATOM 1242 CA PRO A 72 2.531 -27.063 7.300 1.00 73.31 C ATOM 1243 C PRO A 72 1.744 -28.084 6.475 1.00 14.34 C ATOM 1244 O PRO A 72 2.261 -28.636 5.506 1.00 14.13 O ATOM 1245 CB PRO A 72 3.751 -27.665 7.980 1.00 1.11 C ATOM 1246 CG PRO A 72 3.360 -27.861 9.436 1.00 12.50 C ATOM 1247 CD PRO A 72 2.085 -27.074 9.688 1.00 2.00 C ATOM 0 HA PRO A 72 2.828 -26.297 6.583 1.00 73.31 H new ATOM 0 HB2 PRO A 72 4.028 -28.613 7.519 1.00 1.11 H new ATOM 0 HB3 PRO A 72 4.613 -27.004 7.892 1.00 1.11 H new ATOM 0 HG2 PRO A 72 3.204 -28.918 9.650 1.00 12.50 H new ATOM 0 HG3 PRO A 72 4.157 -27.517 10.095 1.00 12.50 H new ATOM 0 HD2 PRO A 72 1.297 -27.713 10.085 1.00 2.00 H new ATOM 0 HD3 PRO A 72 2.247 -26.279 10.416 1.00 2.00 H new ATOM 1255 N GLU A 73 0.504 -28.300 6.889 1.00 4.32 N ATOM 1256 CA GLU A 73 -0.362 -29.243 6.200 1.00 33.04 C ATOM 1257 C GLU A 73 -1.194 -28.522 5.139 1.00 15.04 C ATOM 1258 O GLU A 73 -2.032 -29.136 4.479 1.00 75.11 O ATOM 1259 CB GLU A 73 -1.259 -29.987 7.190 1.00 51.24 C ATOM 1260 CG GLU A 73 -2.351 -29.066 7.738 1.00 33.54 C ATOM 1261 CD GLU A 73 -3.413 -29.866 8.497 1.00 53.33 C ATOM 1262 OE1 GLU A 73 -3.113 -30.945 9.027 1.00 25.23 O ATOM 1263 OE2 GLU A 73 -4.585 -29.328 8.525 1.00 11.00 O ATOM 0 H GLU A 73 0.078 -27.838 7.693 1.00 4.32 H new ATOM 0 HA GLU A 73 0.263 -29.983 5.701 1.00 33.04 H new ATOM 0 HB2 GLU A 73 -1.715 -30.846 6.698 1.00 51.24 H new ATOM 0 HB3 GLU A 73 -0.657 -30.373 8.013 1.00 51.24 H new ATOM 0 HG2 GLU A 73 -1.907 -28.324 8.401 1.00 33.54 H new ATOM 0 HG3 GLU A 73 -2.818 -28.521 6.917 1.00 33.54 H new ATOM 1271 N LYS A 74 -0.935 -27.230 5.007 1.00 15.22 N ATOM 1272 CA LYS A 74 -1.650 -26.417 4.038 1.00 74.24 C ATOM 1273 C LYS A 74 -0.643 -25.700 3.136 1.00 4.24 C ATOM 1274 O LYS A 74 0.565 -25.866 3.296 1.00 22.52 O ATOM 1275 CB LYS A 74 -2.626 -25.473 4.744 1.00 43.43 C ATOM 1276 CG LYS A 74 -3.929 -26.194 5.097 1.00 13.23 C ATOM 1277 CD LYS A 74 -5.136 -25.472 4.498 1.00 31.31 C ATOM 1278 CE LYS A 74 -5.601 -26.157 3.210 1.00 43.12 C ATOM 1279 NZ LYS A 74 -6.427 -27.344 3.526 1.00 72.20 N ATOM 0 H LYS A 74 -0.239 -26.725 5.556 1.00 15.22 H new ATOM 0 HA LYS A 74 -2.263 -27.046 3.393 1.00 74.24 H new ATOM 0 HB2 LYS A 74 -2.166 -25.081 5.651 1.00 43.43 H new ATOM 0 HB3 LYS A 74 -2.841 -24.620 4.101 1.00 43.43 H new ATOM 0 HG2 LYS A 74 -3.893 -27.219 4.727 1.00 13.23 H new ATOM 0 HG3 LYS A 74 -4.035 -26.250 6.180 1.00 13.23 H new ATOM 0 HD2 LYS A 74 -5.951 -25.457 5.221 1.00 31.31 H new ATOM 0 HD3 LYS A 74 -4.877 -24.434 4.289 1.00 31.31 H new ATOM 0 HE2 LYS A 74 -6.176 -25.456 2.605 1.00 43.12 H new ATOM 0 HE3 LYS A 74 -4.737 -26.455 2.617 1.00 43.12 H new ATOM 0 HZ1 LYS A 74 -6.735 -27.798 2.642 1.00 72.20 H new ATOM 0 HZ2 LYS A 74 -5.866 -28.019 4.085 1.00 72.20 H new ATOM 0 HZ3 LYS A 74 -7.261 -27.051 4.073 1.00 72.20 H new ATOM 1293 N ALA A 75 -1.178 -24.917 2.211 1.00 2.43 N ATOM 1294 CA ALA A 75 -0.341 -24.173 1.285 1.00 13.52 C ATOM 1295 C ALA A 75 -0.924 -22.772 1.090 1.00 54.01 C ATOM 1296 O ALA A 75 -2.097 -22.539 1.376 1.00 43.42 O ATOM 1297 CB ALA A 75 -0.224 -24.945 -0.031 1.00 3.35 C ATOM 0 H ALA A 75 -2.181 -24.782 2.083 1.00 2.43 H new ATOM 0 HA ALA A 75 0.666 -24.058 1.686 1.00 13.52 H new ATOM 0 HB1 ALA A 75 0.404 -24.387 -0.726 1.00 3.35 H new ATOM 0 HB2 ALA A 75 0.223 -25.921 0.158 1.00 3.35 H new ATOM 0 HB3 ALA A 75 -1.215 -25.078 -0.464 1.00 3.35 H new ATOM 1303 N ILE A 76 -0.076 -21.876 0.604 1.00 45.33 N ATOM 1304 CA ILE A 76 -0.494 -20.505 0.367 1.00 65.33 C ATOM 1305 C ILE A 76 0.328 -19.919 -0.784 1.00 4.31 C ATOM 1306 O ILE A 76 1.544 -20.098 -0.837 1.00 22.55 O ATOM 1307 CB ILE A 76 -0.412 -19.689 1.658 1.00 71.13 C ATOM 1308 CG1 ILE A 76 -1.598 -18.731 1.778 1.00 33.21 C ATOM 1309 CG2 ILE A 76 0.927 -18.958 1.761 1.00 65.54 C ATOM 1310 CD1 ILE A 76 -1.452 -17.828 3.004 1.00 43.42 C ATOM 0 H ILE A 76 0.897 -22.073 0.369 1.00 45.33 H new ATOM 0 HA ILE A 76 -1.540 -20.472 0.063 1.00 65.33 H new ATOM 0 HB ILE A 76 -0.468 -20.378 2.501 1.00 71.13 H new ATOM 0 HG12 ILE A 76 -1.669 -18.120 0.878 1.00 33.21 H new ATOM 0 HG13 ILE A 76 -2.524 -19.301 1.850 1.00 33.21 H new ATOM 0 HG21 ILE A 76 0.959 -18.386 2.688 1.00 65.54 H new ATOM 0 HG22 ILE A 76 1.740 -19.685 1.755 1.00 65.54 H new ATOM 0 HG23 ILE A 76 1.039 -18.282 0.913 1.00 65.54 H new ATOM 0 HD11 ILE A 76 -2.309 -17.157 3.066 1.00 43.42 H new ATOM 0 HD12 ILE A 76 -1.406 -18.441 3.904 1.00 43.42 H new ATOM 0 HD13 ILE A 76 -0.537 -17.242 2.917 1.00 43.42 H new ATOM 1322 N PHE A 77 -0.369 -19.229 -1.675 1.00 12.42 N ATOM 1323 CA PHE A 77 0.280 -18.615 -2.821 1.00 62.30 C ATOM 1324 C PHE A 77 -0.234 -17.192 -3.046 1.00 33.33 C ATOM 1325 O PHE A 77 -1.433 -16.937 -2.937 1.00 33.52 O ATOM 1326 CB PHE A 77 -0.067 -19.469 -4.042 1.00 40.44 C ATOM 1327 CG PHE A 77 0.417 -20.917 -3.947 1.00 70.23 C ATOM 1328 CD1 PHE A 77 1.715 -21.219 -4.218 1.00 44.34 C ATOM 1329 CD2 PHE A 77 -0.449 -21.903 -3.592 1.00 4.54 C ATOM 1330 CE1 PHE A 77 2.165 -22.563 -4.131 1.00 41.05 C ATOM 1331 CE2 PHE A 77 -0.001 -23.246 -3.505 1.00 1.33 C ATOM 1332 CZ PHE A 77 1.298 -23.548 -3.775 1.00 35.23 C ATOM 0 H PHE A 77 -1.377 -19.082 -1.626 1.00 12.42 H new ATOM 0 HA PHE A 77 1.356 -18.561 -2.654 1.00 62.30 H new ATOM 0 HB2 PHE A 77 -1.148 -19.467 -4.179 1.00 40.44 H new ATOM 0 HB3 PHE A 77 0.368 -19.009 -4.930 1.00 40.44 H new ATOM 0 HD1 PHE A 77 2.404 -20.436 -4.500 1.00 44.34 H new ATOM 0 HD2 PHE A 77 -1.480 -21.663 -3.376 1.00 4.54 H new ATOM 0 HE1 PHE A 77 3.196 -22.803 -4.348 1.00 41.05 H new ATOM 0 HE2 PHE A 77 -0.691 -24.028 -3.225 1.00 1.33 H new ATOM 0 HZ PHE A 77 1.640 -24.570 -3.707 1.00 35.23 H new ATOM 1342 N ILE A 78 0.698 -16.303 -3.352 1.00 3.55 N ATOM 1343 CA ILE A 78 0.354 -14.911 -3.593 1.00 70.04 C ATOM 1344 C ILE A 78 -0.093 -14.743 -5.046 1.00 63.43 C ATOM 1345 O ILE A 78 0.537 -15.276 -5.959 1.00 62.34 O ATOM 1346 CB ILE A 78 1.515 -13.996 -3.198 1.00 15.11 C ATOM 1347 CG1 ILE A 78 2.037 -14.344 -1.803 1.00 31.40 C ATOM 1348 CG2 ILE A 78 1.115 -12.523 -3.309 1.00 23.31 C ATOM 1349 CD1 ILE A 78 1.068 -13.868 -0.720 1.00 44.32 C ATOM 0 H ILE A 78 1.691 -16.518 -3.439 1.00 3.55 H new ATOM 0 HA ILE A 78 -0.486 -14.613 -2.965 1.00 70.04 H new ATOM 0 HB ILE A 78 2.333 -14.161 -3.899 1.00 15.11 H new ATOM 0 HG12 ILE A 78 2.177 -15.422 -1.722 1.00 31.40 H new ATOM 0 HG13 ILE A 78 3.013 -13.883 -1.651 1.00 31.40 H new ATOM 0 HG21 ILE A 78 1.958 -11.894 -3.023 1.00 23.31 H new ATOM 0 HG22 ILE A 78 0.829 -12.300 -4.337 1.00 23.31 H new ATOM 0 HG23 ILE A 78 0.273 -12.324 -2.647 1.00 23.31 H new ATOM 0 HD11 ILE A 78 1.463 -14.128 0.262 1.00 44.32 H new ATOM 0 HD12 ILE A 78 0.949 -12.787 -0.788 1.00 44.32 H new ATOM 0 HD13 ILE A 78 0.100 -14.349 -0.861 1.00 44.32 H new ATOM 1361 N PHE A 79 -1.179 -14.005 -5.217 1.00 54.23 N ATOM 1362 CA PHE A 79 -1.718 -13.761 -6.545 1.00 2.04 C ATOM 1363 C PHE A 79 -1.908 -12.263 -6.793 1.00 53.42 C ATOM 1364 O PHE A 79 -2.653 -11.601 -6.074 1.00 2.01 O ATOM 1365 CB PHE A 79 -3.081 -14.454 -6.607 1.00 31.10 C ATOM 1366 CG PHE A 79 -3.039 -15.854 -7.223 1.00 60.10 C ATOM 1367 CD1 PHE A 79 -2.680 -16.013 -8.526 1.00 30.00 C ATOM 1368 CD2 PHE A 79 -3.361 -16.939 -6.469 1.00 2.43 C ATOM 1369 CE1 PHE A 79 -2.641 -17.314 -9.097 1.00 1.54 C ATOM 1370 CE2 PHE A 79 -3.322 -18.239 -7.040 1.00 63.12 C ATOM 1371 CZ PHE A 79 -2.963 -18.397 -8.342 1.00 62.01 C ATOM 0 H PHE A 79 -1.701 -13.567 -4.458 1.00 54.23 H new ATOM 0 HA PHE A 79 -1.032 -14.142 -7.302 1.00 2.04 H new ATOM 0 HB2 PHE A 79 -3.488 -14.524 -5.598 1.00 31.10 H new ATOM 0 HB3 PHE A 79 -3.766 -13.834 -7.185 1.00 31.10 H new ATOM 0 HD1 PHE A 79 -2.425 -15.152 -9.125 1.00 30.00 H new ATOM 0 HD2 PHE A 79 -3.647 -16.812 -5.435 1.00 2.43 H new ATOM 0 HE1 PHE A 79 -2.356 -17.442 -10.131 1.00 1.54 H new ATOM 0 HE2 PHE A 79 -3.577 -19.101 -6.441 1.00 63.12 H new ATOM 0 HZ PHE A 79 -2.934 -19.385 -8.777 1.00 62.01 H new ATOM 1381 N VAL A 80 -1.222 -11.773 -7.814 1.00 21.44 N ATOM 1382 CA VAL A 80 -1.307 -10.367 -8.168 1.00 62.12 C ATOM 1383 C VAL A 80 -1.852 -10.234 -9.590 1.00 53.14 C ATOM 1384 O VAL A 80 -1.167 -10.566 -10.555 1.00 72.31 O ATOM 1385 CB VAL A 80 0.059 -9.699 -7.986 1.00 75.21 C ATOM 1386 CG1 VAL A 80 -0.095 -8.203 -7.707 1.00 74.51 C ATOM 1387 CG2 VAL A 80 0.862 -10.385 -6.878 1.00 72.24 C ATOM 0 H VAL A 80 -0.604 -12.325 -8.408 1.00 21.44 H new ATOM 0 HA VAL A 80 -2.000 -9.848 -7.506 1.00 62.12 H new ATOM 0 HB VAL A 80 0.613 -9.810 -8.918 1.00 75.21 H new ATOM 0 HG11 VAL A 80 0.890 -7.753 -7.582 1.00 74.51 H new ATOM 0 HG12 VAL A 80 -0.607 -7.728 -8.543 1.00 74.51 H new ATOM 0 HG13 VAL A 80 -0.677 -8.061 -6.797 1.00 74.51 H new ATOM 0 HG21 VAL A 80 1.828 -9.891 -6.769 1.00 72.24 H new ATOM 0 HG22 VAL A 80 0.314 -10.321 -5.938 1.00 72.24 H new ATOM 0 HG23 VAL A 80 1.017 -11.432 -7.136 1.00 72.24 H new ATOM 1397 N ASN A 81 -3.082 -9.748 -9.675 1.00 42.00 N ATOM 1398 CA ASN A 81 -3.729 -9.566 -10.963 1.00 42.34 C ATOM 1399 C ASN A 81 -4.097 -10.934 -11.540 1.00 23.52 C ATOM 1400 O ASN A 81 -4.322 -11.065 -12.743 1.00 11.11 O ATOM 1401 CB ASN A 81 -2.796 -8.871 -11.956 1.00 33.42 C ATOM 1402 CG ASN A 81 -1.947 -7.808 -11.256 1.00 32.13 C ATOM 1403 OD1 ASN A 81 -2.408 -6.727 -10.925 1.00 74.42 O ATOM 1404 ND2 ASN A 81 -0.684 -8.171 -11.050 1.00 23.44 N ATOM 0 H ASN A 81 -3.648 -9.475 -8.872 1.00 42.00 H new ATOM 0 HA ASN A 81 -4.616 -8.951 -10.811 1.00 42.34 H new ATOM 0 HB2 ASN A 81 -2.146 -9.608 -12.428 1.00 33.42 H new ATOM 0 HB3 ASN A 81 -3.383 -8.409 -12.750 1.00 33.42 H new ATOM 0 HD21 ASN A 81 -0.038 -7.530 -10.590 1.00 23.44 H new ATOM 0 HD22 ASN A 81 -0.362 -9.091 -11.352 1.00 23.44 H new ATOM 1411 N ASP A 82 -4.149 -11.920 -10.657 1.00 73.32 N ATOM 1412 CA ASP A 82 -4.486 -13.274 -11.063 1.00 23.32 C ATOM 1413 C ASP A 82 -3.233 -13.967 -11.604 1.00 11.03 C ATOM 1414 O ASP A 82 -3.332 -14.915 -12.379 1.00 50.53 O ATOM 1415 CB ASP A 82 -5.541 -13.268 -12.171 1.00 70.50 C ATOM 1416 CG ASP A 82 -6.636 -12.213 -12.017 1.00 21.54 C ATOM 1417 OD1 ASP A 82 -6.723 -11.262 -12.807 1.00 75.13 O ATOM 1418 OD2 ASP A 82 -7.435 -12.399 -11.021 1.00 63.05 O ATOM 0 H ASP A 82 -3.963 -11.808 -9.660 1.00 73.32 H new ATOM 0 HA ASP A 82 -4.879 -13.800 -10.193 1.00 23.32 H new ATOM 0 HB2 ASP A 82 -5.041 -13.113 -13.127 1.00 70.50 H new ATOM 0 HB3 ASP A 82 -6.009 -14.252 -12.211 1.00 70.50 H new ATOM 1424 N THR A 83 -2.086 -13.464 -11.173 1.00 42.44 N ATOM 1425 CA THR A 83 -0.816 -14.024 -11.605 1.00 61.11 C ATOM 1426 C THR A 83 0.092 -14.277 -10.400 1.00 21.15 C ATOM 1427 O THR A 83 0.230 -13.419 -9.530 1.00 74.25 O ATOM 1428 CB THR A 83 -0.205 -13.069 -12.635 1.00 23.31 C ATOM 1429 OG1 THR A 83 0.517 -13.926 -13.514 1.00 43.30 O ATOM 1430 CG2 THR A 83 0.870 -12.164 -12.029 1.00 30.14 C ATOM 0 H THR A 83 -2.009 -12.676 -10.530 1.00 42.44 H new ATOM 0 HA THR A 83 -0.953 -14.995 -12.080 1.00 61.11 H new ATOM 0 HB THR A 83 -0.991 -12.454 -13.073 1.00 23.31 H new ATOM 0 HG1 THR A 83 0.944 -13.391 -14.215 1.00 43.30 H new ATOM 0 HG21 THR A 83 1.270 -11.507 -12.801 1.00 30.14 H new ATOM 0 HG22 THR A 83 0.432 -11.563 -11.232 1.00 30.14 H new ATOM 0 HG23 THR A 83 1.674 -12.777 -11.621 1.00 30.14 H new ATOM 1438 N LEU A 84 0.686 -15.461 -10.388 1.00 12.33 N ATOM 1439 CA LEU A 84 1.577 -15.839 -9.304 1.00 64.22 C ATOM 1440 C LEU A 84 3.013 -15.464 -9.674 1.00 22.45 C ATOM 1441 O LEU A 84 3.596 -16.051 -10.585 1.00 1.12 O ATOM 1442 CB LEU A 84 1.398 -17.320 -8.955 1.00 62.51 C ATOM 1443 CG LEU A 84 1.294 -17.650 -7.465 1.00 1.30 C ATOM 1444 CD1 LEU A 84 -0.168 -17.718 -7.021 1.00 31.45 C ATOM 1445 CD2 LEU A 84 2.055 -18.934 -7.133 1.00 5.15 C ATOM 0 H LEU A 84 0.568 -16.171 -11.111 1.00 12.33 H new ATOM 0 HA LEU A 84 1.328 -15.288 -8.397 1.00 64.22 H new ATOM 0 HB2 LEU A 84 0.498 -17.683 -9.451 1.00 62.51 H new ATOM 0 HB3 LEU A 84 2.238 -17.875 -9.372 1.00 62.51 H new ATOM 0 HG LEU A 84 1.765 -16.844 -6.902 1.00 1.30 H new ATOM 0 HD11 LEU A 84 -0.215 -17.954 -5.958 1.00 31.45 H new ATOM 0 HD12 LEU A 84 -0.648 -16.756 -7.201 1.00 31.45 H new ATOM 0 HD13 LEU A 84 -0.685 -18.493 -7.588 1.00 31.45 H new ATOM 0 HD21 LEU A 84 1.965 -19.145 -6.068 1.00 5.15 H new ATOM 0 HD22 LEU A 84 1.637 -19.763 -7.704 1.00 5.15 H new ATOM 0 HD23 LEU A 84 3.107 -18.810 -7.390 1.00 5.15 H new ATOM 1457 N PRO A 85 3.556 -14.464 -8.930 1.00 73.14 N ATOM 1458 CA PRO A 85 4.913 -14.004 -9.171 1.00 54.01 C ATOM 1459 C PRO A 85 5.936 -15.006 -8.634 1.00 31.32 C ATOM 1460 O PRO A 85 5.586 -15.909 -7.876 1.00 23.50 O ATOM 1461 CB PRO A 85 4.995 -12.647 -8.490 1.00 13.52 C ATOM 1462 CG PRO A 85 3.839 -12.606 -7.504 1.00 42.32 C ATOM 1463 CD PRO A 85 2.895 -13.747 -7.844 1.00 13.01 C ATOM 0 HA PRO A 85 5.145 -13.917 -10.232 1.00 54.01 H new ATOM 0 HB2 PRO A 85 5.950 -12.524 -7.978 1.00 13.52 H new ATOM 0 HB3 PRO A 85 4.917 -11.839 -9.218 1.00 13.52 H new ATOM 0 HG2 PRO A 85 4.205 -12.705 -6.482 1.00 42.32 H new ATOM 0 HG3 PRO A 85 3.319 -11.650 -7.565 1.00 42.32 H new ATOM 0 HD2 PRO A 85 2.731 -14.395 -6.983 1.00 13.01 H new ATOM 0 HD3 PRO A 85 1.918 -13.374 -8.152 1.00 13.01 H new ATOM 1471 N PRO A 86 7.213 -14.807 -9.056 1.00 12.01 N ATOM 1472 CA PRO A 86 8.289 -15.682 -8.625 1.00 0.14 C ATOM 1473 C PRO A 86 8.687 -15.390 -7.177 1.00 13.22 C ATOM 1474 O PRO A 86 7.977 -14.681 -6.465 1.00 70.44 O ATOM 1475 CB PRO A 86 9.418 -15.434 -9.613 1.00 21.33 C ATOM 1476 CG PRO A 86 9.107 -14.102 -10.275 1.00 1.45 C ATOM 1477 CD PRO A 86 7.665 -13.746 -9.953 1.00 12.41 C ATOM 0 HA PRO A 86 8.001 -16.733 -8.625 1.00 0.14 H new ATOM 0 HB2 PRO A 86 10.382 -15.402 -9.105 1.00 21.33 H new ATOM 0 HB3 PRO A 86 9.473 -16.234 -10.352 1.00 21.33 H new ATOM 0 HG2 PRO A 86 9.782 -13.328 -9.910 1.00 1.45 H new ATOM 0 HG3 PRO A 86 9.252 -14.169 -11.353 1.00 1.45 H new ATOM 0 HD2 PRO A 86 7.595 -12.768 -9.477 1.00 12.41 H new ATOM 0 HD3 PRO A 86 7.056 -13.705 -10.856 1.00 12.41 H new ATOM 1485 N THR A 87 9.821 -15.950 -6.784 1.00 44.33 N ATOM 1486 CA THR A 87 10.322 -15.760 -5.433 1.00 62.41 C ATOM 1487 C THR A 87 11.370 -14.646 -5.406 1.00 30.31 C ATOM 1488 O THR A 87 11.424 -13.862 -4.459 1.00 14.22 O ATOM 1489 CB THR A 87 10.850 -17.104 -4.930 1.00 10.12 C ATOM 1490 OG1 THR A 87 12.172 -17.177 -5.458 1.00 55.12 O ATOM 1491 CG2 THR A 87 10.128 -18.293 -5.567 1.00 50.43 C ATOM 0 H THR A 87 10.408 -16.536 -7.378 1.00 44.33 H new ATOM 0 HA THR A 87 9.529 -15.435 -4.759 1.00 62.41 H new ATOM 0 HB THR A 87 10.743 -17.153 -3.846 1.00 10.12 H new ATOM 0 HG1 THR A 87 12.590 -18.018 -5.179 1.00 55.12 H new ATOM 0 HG21 THR A 87 10.542 -19.222 -5.175 1.00 50.43 H new ATOM 0 HG22 THR A 87 9.065 -18.241 -5.332 1.00 50.43 H new ATOM 0 HG23 THR A 87 10.262 -18.264 -6.648 1.00 50.43 H new ATOM 1499 N ALA A 88 12.178 -14.611 -6.456 1.00 71.44 N ATOM 1500 CA ALA A 88 13.221 -13.607 -6.564 1.00 13.45 C ATOM 1501 C ALA A 88 12.619 -12.308 -7.107 1.00 44.20 C ATOM 1502 O ALA A 88 13.343 -11.358 -7.398 1.00 63.25 O ATOM 1503 CB ALA A 88 14.352 -14.137 -7.447 1.00 64.41 C ATOM 0 H ALA A 88 12.131 -15.263 -7.239 1.00 71.44 H new ATOM 0 HA ALA A 88 13.646 -13.390 -5.584 1.00 13.45 H new ATOM 0 HB1 ALA A 88 15.135 -13.383 -7.528 1.00 64.41 H new ATOM 0 HB2 ALA A 88 14.765 -15.043 -7.004 1.00 64.41 H new ATOM 0 HB3 ALA A 88 13.963 -14.364 -8.440 1.00 64.41 H new ATOM 1509 N ALA A 89 11.299 -12.311 -7.227 1.00 34.45 N ATOM 1510 CA ALA A 89 10.592 -11.145 -7.729 1.00 73.43 C ATOM 1511 C ALA A 89 10.527 -10.081 -6.632 1.00 42.11 C ATOM 1512 O ALA A 89 9.442 -9.701 -6.196 1.00 30.52 O ATOM 1513 CB ALA A 89 9.204 -11.562 -8.220 1.00 61.45 C ATOM 0 H ALA A 89 10.701 -13.102 -6.985 1.00 34.45 H new ATOM 0 HA ALA A 89 11.121 -10.711 -8.577 1.00 73.43 H new ATOM 0 HB1 ALA A 89 8.673 -10.688 -8.597 1.00 61.45 H new ATOM 0 HB2 ALA A 89 9.306 -12.296 -9.019 1.00 61.45 H new ATOM 0 HB3 ALA A 89 8.642 -12.000 -7.395 1.00 61.45 H new ATOM 1519 N LEU A 90 11.701 -9.630 -6.219 1.00 64.42 N ATOM 1520 CA LEU A 90 11.793 -8.618 -5.181 1.00 63.51 C ATOM 1521 C LEU A 90 10.495 -7.808 -5.150 1.00 52.21 C ATOM 1522 O LEU A 90 10.105 -7.215 -6.156 1.00 54.01 O ATOM 1523 CB LEU A 90 13.047 -7.763 -5.373 1.00 34.25 C ATOM 1524 CG LEU A 90 14.070 -7.807 -4.238 1.00 71.21 C ATOM 1525 CD1 LEU A 90 14.194 -9.222 -3.666 1.00 54.54 C ATOM 1526 CD2 LEU A 90 15.421 -7.254 -4.694 1.00 41.31 C ATOM 0 H LEU A 90 12.599 -9.947 -6.585 1.00 64.42 H new ATOM 0 HA LEU A 90 11.903 -9.085 -4.202 1.00 63.51 H new ATOM 0 HB2 LEU A 90 13.540 -8.079 -6.292 1.00 34.25 H new ATOM 0 HB3 LEU A 90 12.738 -6.728 -5.517 1.00 34.25 H new ATOM 0 HG LEU A 90 13.714 -7.163 -3.434 1.00 71.21 H new ATOM 0 HD11 LEU A 90 14.928 -9.226 -2.860 1.00 54.54 H new ATOM 0 HD12 LEU A 90 13.228 -9.544 -3.278 1.00 54.54 H new ATOM 0 HD13 LEU A 90 14.515 -9.905 -4.452 1.00 54.54 H new ATOM 0 HD21 LEU A 90 16.130 -7.297 -3.867 1.00 41.31 H new ATOM 0 HD22 LEU A 90 15.797 -7.851 -5.525 1.00 41.31 H new ATOM 0 HD23 LEU A 90 15.301 -6.219 -5.015 1.00 41.31 H new ATOM 1538 N MET A 91 9.862 -7.807 -3.987 1.00 32.43 N ATOM 1539 CA MET A 91 8.616 -7.079 -3.813 1.00 22.31 C ATOM 1540 C MET A 91 8.772 -5.617 -4.236 1.00 44.01 C ATOM 1541 O MET A 91 7.782 -4.928 -4.478 1.00 41.02 O ATOM 1542 CB MET A 91 8.188 -7.143 -2.345 1.00 61.30 C ATOM 1543 CG MET A 91 8.068 -8.593 -1.872 1.00 10.20 C ATOM 1544 SD MET A 91 6.580 -9.328 -2.527 1.00 71.21 S ATOM 1545 CE MET A 91 5.400 -8.051 -2.123 1.00 3.14 C ATOM 0 H MET A 91 10.188 -8.299 -3.155 1.00 32.43 H new ATOM 0 HA MET A 91 7.856 -7.541 -4.443 1.00 22.31 H new ATOM 0 HB2 MET A 91 8.914 -6.614 -1.727 1.00 61.30 H new ATOM 0 HB3 MET A 91 7.232 -6.635 -2.219 1.00 61.30 H new ATOM 0 HG2 MET A 91 8.938 -9.163 -2.197 1.00 10.20 H new ATOM 0 HG3 MET A 91 8.052 -8.629 -0.783 1.00 10.20 H new ATOM 0 HE1 MET A 91 4.408 -8.491 -2.024 1.00 3.14 H new ATOM 0 HE2 MET A 91 5.683 -7.579 -1.182 1.00 3.14 H new ATOM 0 HE3 MET A 91 5.388 -7.303 -2.916 1.00 3.14 H new ATOM 1555 N SER A 92 10.022 -5.186 -4.314 1.00 61.22 N ATOM 1556 CA SER A 92 10.319 -3.818 -4.704 1.00 10.22 C ATOM 1557 C SER A 92 10.064 -3.634 -6.201 1.00 3.55 C ATOM 1558 O SER A 92 9.553 -2.598 -6.624 1.00 30.35 O ATOM 1559 CB SER A 92 11.765 -3.451 -4.363 1.00 12.35 C ATOM 1560 OG SER A 92 11.961 -2.040 -4.320 1.00 55.11 O ATOM 0 H SER A 92 10.841 -5.760 -4.114 1.00 61.22 H new ATOM 0 HA SER A 92 9.661 -3.152 -4.145 1.00 10.22 H new ATOM 0 HB2 SER A 92 12.031 -3.884 -3.399 1.00 12.35 H new ATOM 0 HB3 SER A 92 12.434 -3.888 -5.104 1.00 12.35 H new ATOM 0 HG SER A 92 11.358 -1.606 -4.960 1.00 55.11 H new ATOM 1566 N ALA A 93 10.432 -4.655 -6.961 1.00 51.43 N ATOM 1567 CA ALA A 93 10.248 -4.619 -8.403 1.00 44.32 C ATOM 1568 C ALA A 93 8.830 -5.082 -8.744 1.00 70.44 C ATOM 1569 O ALA A 93 8.392 -4.960 -9.887 1.00 35.31 O ATOM 1570 CB ALA A 93 11.320 -5.479 -9.075 1.00 51.33 C ATOM 0 H ALA A 93 10.856 -5.512 -6.606 1.00 51.43 H new ATOM 0 HA ALA A 93 10.362 -3.602 -8.780 1.00 44.32 H new ATOM 0 HB1 ALA A 93 11.183 -5.453 -10.156 1.00 51.33 H new ATOM 0 HB2 ALA A 93 12.307 -5.091 -8.825 1.00 51.33 H new ATOM 0 HB3 ALA A 93 11.235 -6.507 -8.723 1.00 51.33 H new ATOM 1576 N ILE A 94 8.153 -5.603 -7.731 1.00 40.34 N ATOM 1577 CA ILE A 94 6.793 -6.085 -7.911 1.00 0.42 C ATOM 1578 C ILE A 94 5.821 -4.910 -7.790 1.00 61.53 C ATOM 1579 O ILE A 94 4.916 -4.761 -8.611 1.00 44.40 O ATOM 1580 CB ILE A 94 6.498 -7.228 -6.939 1.00 24.11 C ATOM 1581 CG1 ILE A 94 7.408 -8.427 -7.212 1.00 53.44 C ATOM 1582 CG2 ILE A 94 5.017 -7.613 -6.977 1.00 24.34 C ATOM 1583 CD1 ILE A 94 7.009 -9.135 -8.507 1.00 10.40 C ATOM 0 H ILE A 94 8.520 -5.702 -6.784 1.00 40.34 H new ATOM 0 HA ILE A 94 6.666 -6.504 -8.909 1.00 0.42 H new ATOM 0 HB ILE A 94 6.715 -6.881 -5.929 1.00 24.11 H new ATOM 0 HG12 ILE A 94 8.444 -8.094 -7.280 1.00 53.44 H new ATOM 0 HG13 ILE A 94 7.352 -9.127 -6.379 1.00 53.44 H new ATOM 0 HG21 ILE A 94 4.835 -8.428 -6.277 1.00 24.34 H new ATOM 0 HG22 ILE A 94 4.410 -6.752 -6.698 1.00 24.34 H new ATOM 0 HG23 ILE A 94 4.750 -7.934 -7.984 1.00 24.34 H new ATOM 0 HD11 ILE A 94 7.672 -9.983 -8.677 1.00 10.40 H new ATOM 0 HD12 ILE A 94 5.981 -9.488 -8.427 1.00 10.40 H new ATOM 0 HD13 ILE A 94 7.089 -8.439 -9.342 1.00 10.40 H new ATOM 1595 N TYR A 95 6.040 -4.104 -6.760 1.00 51.15 N ATOM 1596 CA TYR A 95 5.193 -2.947 -6.523 1.00 20.24 C ATOM 1597 C TYR A 95 5.430 -1.868 -7.580 1.00 42.21 C ATOM 1598 O TYR A 95 4.749 -0.844 -7.590 1.00 45.41 O ATOM 1599 CB TYR A 95 5.602 -2.401 -5.153 1.00 42.53 C ATOM 1600 CG TYR A 95 4.976 -1.047 -4.811 1.00 20.22 C ATOM 1601 CD1 TYR A 95 5.508 0.112 -5.337 1.00 32.12 C ATOM 1602 CD2 TYR A 95 3.880 -0.986 -3.975 1.00 42.40 C ATOM 1603 CE1 TYR A 95 4.919 1.385 -5.015 1.00 52.14 C ATOM 1604 CE2 TYR A 95 3.290 0.288 -3.652 1.00 23.54 C ATOM 1605 CZ TYR A 95 3.838 1.411 -4.188 1.00 24.44 C ATOM 1606 OH TYR A 95 3.282 2.613 -3.884 1.00 51.50 O ATOM 0 H TYR A 95 6.791 -4.230 -6.081 1.00 51.15 H new ATOM 0 HA TYR A 95 4.140 -3.226 -6.566 1.00 20.24 H new ATOM 0 HB2 TYR A 95 5.321 -3.124 -4.387 1.00 42.53 H new ATOM 0 HB3 TYR A 95 6.687 -2.307 -5.120 1.00 42.53 H new ATOM 0 HD1 TYR A 95 6.367 0.064 -5.990 1.00 32.12 H new ATOM 0 HD2 TYR A 95 3.464 -1.894 -3.563 1.00 42.40 H new ATOM 0 HE1 TYR A 95 5.326 2.300 -5.421 1.00 52.14 H new ATOM 0 HE2 TYR A 95 2.432 0.350 -2.999 1.00 23.54 H new ATOM 0 HH TYR A 95 2.306 2.526 -3.862 1.00 51.50 H new ATOM 1616 N GLN A 96 6.399 -2.133 -8.444 1.00 41.34 N ATOM 1617 CA GLN A 96 6.735 -1.197 -9.503 1.00 40.14 C ATOM 1618 C GLN A 96 6.121 -1.653 -10.828 1.00 73.33 C ATOM 1619 O GLN A 96 6.090 -0.894 -11.796 1.00 35.05 O ATOM 1620 CB GLN A 96 8.251 -1.031 -9.629 1.00 62.44 C ATOM 1621 CG GLN A 96 8.705 -1.226 -11.076 1.00 73.05 C ATOM 1622 CD GLN A 96 10.227 -1.113 -11.194 1.00 52.22 C ATOM 1623 OE1 GLN A 96 10.778 -0.060 -11.475 1.00 22.34 O ATOM 1624 NE2 GLN A 96 10.873 -2.252 -10.961 1.00 34.13 N ATOM 0 H GLN A 96 6.962 -2.983 -8.432 1.00 41.34 H new ATOM 0 HA GLN A 96 6.317 -0.223 -9.247 1.00 40.14 H new ATOM 0 HB2 GLN A 96 8.542 -0.039 -9.283 1.00 62.44 H new ATOM 0 HB3 GLN A 96 8.754 -1.753 -8.986 1.00 62.44 H new ATOM 0 HG2 GLN A 96 8.381 -2.203 -11.434 1.00 73.05 H new ATOM 0 HG3 GLN A 96 8.231 -0.479 -11.713 1.00 73.05 H new ATOM 0 HE21 GLN A 96 10.350 -3.097 -10.731 1.00 34.13 H new ATOM 0 HE22 GLN A 96 11.891 -2.280 -11.012 1.00 34.13 H new ATOM 1633 N GLU A 97 5.647 -2.890 -10.830 1.00 32.44 N ATOM 1634 CA GLU A 97 5.038 -3.456 -12.021 1.00 2.21 C ATOM 1635 C GLU A 97 3.578 -3.823 -11.746 1.00 41.50 C ATOM 1636 O GLU A 97 2.839 -4.175 -12.663 1.00 31.31 O ATOM 1637 CB GLU A 97 5.824 -4.673 -12.515 1.00 65.22 C ATOM 1638 CG GLU A 97 5.292 -5.962 -11.884 1.00 55.53 C ATOM 1639 CD GLU A 97 6.162 -7.160 -12.273 1.00 44.43 C ATOM 1640 OE1 GLU A 97 6.737 -7.819 -11.395 1.00 63.43 O ATOM 1641 OE2 GLU A 97 6.227 -7.399 -13.539 1.00 70.13 O ATOM 0 H GLU A 97 5.672 -3.516 -10.025 1.00 32.44 H new ATOM 0 HA GLU A 97 5.063 -2.704 -12.810 1.00 2.21 H new ATOM 0 HB2 GLU A 97 5.754 -4.739 -13.601 1.00 65.22 H new ATOM 0 HB3 GLU A 97 6.879 -4.553 -12.270 1.00 65.22 H new ATOM 0 HG2 GLU A 97 5.272 -5.859 -10.799 1.00 55.53 H new ATOM 0 HG3 GLU A 97 4.265 -6.133 -12.207 1.00 55.53 H new ATOM 1649 N HIS A 98 3.205 -3.725 -10.478 1.00 3.52 N ATOM 1650 CA HIS A 98 1.847 -4.041 -10.070 1.00 21.22 C ATOM 1651 C HIS A 98 1.284 -2.896 -9.228 1.00 61.24 C ATOM 1652 O HIS A 98 0.302 -3.073 -8.508 1.00 1.42 O ATOM 1653 CB HIS A 98 1.796 -5.389 -9.347 1.00 32.21 C ATOM 1654 CG HIS A 98 2.201 -6.562 -10.208 1.00 32.35 C ATOM 1655 ND1 HIS A 98 1.574 -6.870 -11.402 1.00 41.32 N ATOM 1656 CD2 HIS A 98 3.179 -7.500 -10.035 1.00 62.03 C ATOM 1657 CE1 HIS A 98 2.154 -7.944 -11.915 1.00 52.14 C ATOM 1658 NE2 HIS A 98 3.148 -8.333 -11.066 1.00 24.24 N ATOM 0 H HIS A 98 3.820 -3.431 -9.720 1.00 3.52 H new ATOM 0 HA HIS A 98 1.214 -4.143 -10.951 1.00 21.22 H new ATOM 0 HB2 HIS A 98 2.450 -5.348 -8.476 1.00 32.21 H new ATOM 0 HB3 HIS A 98 0.784 -5.554 -8.978 1.00 32.21 H new ATOM 0 HD2 HIS A 98 3.862 -7.554 -9.200 1.00 62.03 H new ATOM 0 HE1 HIS A 98 1.887 -8.427 -12.843 1.00 52.14 H new ATOM 0 HE2 HIS A 98 3.766 -9.133 -11.202 1.00 24.24 H new ATOM 1667 N LYS A 99 1.930 -1.745 -9.344 1.00 12.51 N ATOM 1668 CA LYS A 99 1.508 -0.570 -8.602 1.00 13.43 C ATOM 1669 C LYS A 99 0.031 -0.294 -8.891 1.00 32.40 C ATOM 1670 O LYS A 99 -0.574 -0.955 -9.735 1.00 3.15 O ATOM 1671 CB LYS A 99 2.426 0.615 -8.906 1.00 4.34 C ATOM 1672 CG LYS A 99 2.426 0.939 -10.402 1.00 4.14 C ATOM 1673 CD LYS A 99 1.953 2.373 -10.652 1.00 12.25 C ATOM 1674 CE LYS A 99 1.799 2.646 -12.149 1.00 60.42 C ATOM 1675 NZ LYS A 99 0.539 3.374 -12.417 1.00 53.51 N ATOM 0 H LYS A 99 2.744 -1.601 -9.942 1.00 12.51 H new ATOM 0 HA LYS A 99 1.597 -0.744 -7.530 1.00 13.43 H new ATOM 0 HB2 LYS A 99 2.098 1.488 -8.341 1.00 4.34 H new ATOM 0 HB3 LYS A 99 3.441 0.387 -8.580 1.00 4.34 H new ATOM 0 HG2 LYS A 99 3.430 0.808 -10.806 1.00 4.14 H new ATOM 0 HG3 LYS A 99 1.776 0.241 -10.929 1.00 4.14 H new ATOM 0 HD2 LYS A 99 1.000 2.539 -10.149 1.00 12.25 H new ATOM 0 HD3 LYS A 99 2.667 3.075 -10.222 1.00 12.25 H new ATOM 0 HE2 LYS A 99 2.647 3.230 -12.507 1.00 60.42 H new ATOM 0 HE3 LYS A 99 1.806 1.705 -12.699 1.00 60.42 H new ATOM 0 HZ1 LYS A 99 0.451 3.551 -13.438 1.00 53.51 H new ATOM 0 HZ2 LYS A 99 -0.268 2.803 -12.094 1.00 53.51 H new ATOM 0 HZ3 LYS A 99 0.547 4.281 -11.908 1.00 53.51 H new ATOM 1689 N ASP A 100 -0.507 0.682 -8.175 1.00 41.20 N ATOM 1690 CA ASP A 100 -1.903 1.053 -8.343 1.00 31.41 C ATOM 1691 C ASP A 100 -2.022 2.578 -8.354 1.00 24.34 C ATOM 1692 O ASP A 100 -1.085 3.281 -7.979 1.00 10.10 O ATOM 1693 CB ASP A 100 -2.758 0.518 -7.194 1.00 64.51 C ATOM 1694 CG ASP A 100 -4.208 0.199 -7.562 1.00 34.41 C ATOM 1695 OD1 ASP A 100 -5.131 0.963 -7.242 1.00 4.35 O ATOM 1696 OD2 ASP A 100 -4.377 -0.902 -8.212 1.00 2.43 O ATOM 0 H ASP A 100 -0.002 1.228 -7.477 1.00 41.20 H new ATOM 0 HA ASP A 100 -2.256 0.625 -9.282 1.00 31.41 H new ATOM 0 HB2 ASP A 100 -2.291 -0.386 -6.804 1.00 64.51 H new ATOM 0 HB3 ASP A 100 -2.756 1.251 -6.388 1.00 64.51 H new ATOM 1702 N LYS A 101 -3.185 3.046 -8.785 1.00 74.24 N ATOM 1703 CA LYS A 101 -3.438 4.475 -8.848 1.00 45.13 C ATOM 1704 C LYS A 101 -3.279 5.079 -7.452 1.00 14.41 C ATOM 1705 O LYS A 101 -2.630 6.112 -7.289 1.00 44.44 O ATOM 1706 CB LYS A 101 -4.804 4.748 -9.483 1.00 61.03 C ATOM 1707 CG LYS A 101 -4.849 4.241 -10.925 1.00 1.14 C ATOM 1708 CD LYS A 101 -5.789 5.096 -11.779 1.00 13.14 C ATOM 1709 CE LYS A 101 -7.230 4.592 -11.678 1.00 51.00 C ATOM 1710 NZ LYS A 101 -7.417 3.385 -12.514 1.00 33.55 N ATOM 0 H LYS A 101 -3.961 2.461 -9.094 1.00 74.24 H new ATOM 0 HA LYS A 101 -2.707 4.964 -9.492 1.00 45.13 H new ATOM 0 HB2 LYS A 101 -5.585 4.262 -8.898 1.00 61.03 H new ATOM 0 HB3 LYS A 101 -5.011 5.818 -9.463 1.00 61.03 H new ATOM 0 HG2 LYS A 101 -3.846 4.260 -11.352 1.00 1.14 H new ATOM 0 HG3 LYS A 101 -5.182 3.203 -10.939 1.00 1.14 H new ATOM 0 HD2 LYS A 101 -5.739 6.135 -11.452 1.00 13.14 H new ATOM 0 HD3 LYS A 101 -5.464 5.073 -12.819 1.00 13.14 H new ATOM 0 HE2 LYS A 101 -7.469 4.363 -10.640 1.00 51.00 H new ATOM 0 HE3 LYS A 101 -7.918 5.374 -11.999 1.00 51.00 H new ATOM 0 HZ1 LYS A 101 -8.431 3.165 -12.584 1.00 33.55 H new ATOM 0 HZ2 LYS A 101 -7.034 3.559 -13.465 1.00 33.55 H new ATOM 0 HZ3 LYS A 101 -6.918 2.582 -12.081 1.00 33.55 H new ATOM 1724 N ASP A 102 -3.879 4.409 -6.480 1.00 24.54 N ATOM 1725 CA ASP A 102 -3.810 4.868 -5.102 1.00 44.11 C ATOM 1726 C ASP A 102 -2.386 4.676 -4.575 1.00 52.35 C ATOM 1727 O ASP A 102 -2.058 5.134 -3.481 1.00 42.15 O ATOM 1728 CB ASP A 102 -4.757 4.066 -4.207 1.00 5.45 C ATOM 1729 CG ASP A 102 -4.864 2.578 -4.548 1.00 13.43 C ATOM 1730 OD1 ASP A 102 -5.811 2.144 -5.223 1.00 41.40 O ATOM 1731 OD2 ASP A 102 -3.912 1.842 -4.085 1.00 40.41 O ATOM 0 H ASP A 102 -4.415 3.552 -6.618 1.00 24.54 H new ATOM 0 HA ASP A 102 -4.098 5.919 -5.082 1.00 44.11 H new ATOM 0 HB2 ASP A 102 -4.425 4.163 -3.173 1.00 5.45 H new ATOM 0 HB3 ASP A 102 -5.751 4.509 -4.266 1.00 5.45 H new ATOM 1737 N GLY A 103 -1.579 3.997 -5.378 1.00 12.34 N ATOM 1738 CA GLY A 103 -0.198 3.740 -5.007 1.00 1.51 C ATOM 1739 C GLY A 103 -0.082 2.453 -4.187 1.00 42.14 C ATOM 1740 O GLY A 103 0.859 1.682 -4.366 1.00 30.21 O ATOM 0 H GLY A 103 -1.855 3.617 -6.283 1.00 12.34 H new ATOM 0 HA2 GLY A 103 0.415 3.660 -5.905 1.00 1.51 H new ATOM 0 HA3 GLY A 103 0.190 4.580 -4.430 1.00 1.51 H new ATOM 1744 N PHE A 104 -1.052 2.262 -3.305 1.00 53.45 N ATOM 1745 CA PHE A 104 -1.071 1.083 -2.456 1.00 12.24 C ATOM 1746 C PHE A 104 -1.258 -0.188 -3.288 1.00 72.13 C ATOM 1747 O PHE A 104 -2.162 -0.263 -4.120 1.00 71.15 O ATOM 1748 CB PHE A 104 -2.259 1.235 -1.505 1.00 72.42 C ATOM 1749 CG PHE A 104 -1.886 1.784 -0.126 1.00 64.25 C ATOM 1750 CD1 PHE A 104 -1.303 0.970 0.793 1.00 73.23 C ATOM 1751 CD2 PHE A 104 -2.139 3.084 0.179 1.00 30.24 C ATOM 1752 CE1 PHE A 104 -0.956 1.479 2.074 1.00 34.41 C ATOM 1753 CE2 PHE A 104 -1.793 3.594 1.458 1.00 70.41 C ATOM 1754 CZ PHE A 104 -1.209 2.781 2.379 1.00 62.30 C ATOM 0 H PHE A 104 -1.831 2.904 -3.160 1.00 53.45 H new ATOM 0 HA PHE A 104 -0.127 0.997 -1.917 1.00 12.24 H new ATOM 0 HB2 PHE A 104 -2.994 1.897 -1.962 1.00 72.42 H new ATOM 0 HB3 PHE A 104 -2.738 0.264 -1.381 1.00 72.42 H new ATOM 0 HD1 PHE A 104 -1.103 -0.063 0.550 1.00 73.23 H new ATOM 0 HD2 PHE A 104 -2.603 3.729 -0.552 1.00 30.24 H new ATOM 0 HE1 PHE A 104 -0.492 0.833 2.805 1.00 34.41 H new ATOM 0 HE2 PHE A 104 -1.993 4.627 1.700 1.00 70.41 H new ATOM 0 HZ PHE A 104 -0.946 3.169 3.352 1.00 62.30 H new ATOM 1764 N LEU A 105 -0.389 -1.156 -3.035 1.00 64.23 N ATOM 1765 CA LEU A 105 -0.447 -2.420 -3.750 1.00 0.04 C ATOM 1766 C LEU A 105 -1.672 -3.209 -3.282 1.00 11.52 C ATOM 1767 O LEU A 105 -2.291 -2.862 -2.278 1.00 74.42 O ATOM 1768 CB LEU A 105 0.872 -3.181 -3.599 1.00 42.33 C ATOM 1769 CG LEU A 105 1.438 -3.801 -4.878 1.00 21.41 C ATOM 1770 CD1 LEU A 105 1.552 -2.756 -5.989 1.00 42.30 C ATOM 1771 CD2 LEU A 105 2.774 -4.496 -4.605 1.00 71.12 C ATOM 0 H LEU A 105 0.359 -1.090 -2.345 1.00 64.23 H new ATOM 0 HA LEU A 105 -0.568 -2.249 -4.820 1.00 0.04 H new ATOM 0 HB2 LEU A 105 1.617 -2.499 -3.189 1.00 42.33 H new ATOM 0 HB3 LEU A 105 0.729 -3.975 -2.866 1.00 42.33 H new ATOM 0 HG LEU A 105 0.742 -4.565 -5.225 1.00 21.41 H new ATOM 0 HD11 LEU A 105 1.957 -3.222 -6.887 1.00 42.30 H new ATOM 0 HD12 LEU A 105 0.565 -2.347 -6.206 1.00 42.30 H new ATOM 0 HD13 LEU A 105 2.215 -1.953 -5.667 1.00 42.30 H new ATOM 0 HD21 LEU A 105 3.155 -4.928 -5.530 1.00 71.12 H new ATOM 0 HD22 LEU A 105 3.491 -3.769 -4.222 1.00 71.12 H new ATOM 0 HD23 LEU A 105 2.629 -5.286 -3.868 1.00 71.12 H new ATOM 1783 N TYR A 106 -1.981 -4.256 -4.031 1.00 53.40 N ATOM 1784 CA TYR A 106 -3.121 -5.098 -3.706 1.00 42.31 C ATOM 1785 C TYR A 106 -2.809 -6.572 -3.978 1.00 52.24 C ATOM 1786 O TYR A 106 -3.063 -7.072 -5.071 1.00 34.34 O ATOM 1787 CB TYR A 106 -4.254 -4.651 -4.631 1.00 64.40 C ATOM 1788 CG TYR A 106 -4.866 -3.300 -4.257 1.00 62.10 C ATOM 1789 CD1 TYR A 106 -5.720 -3.204 -3.178 1.00 34.43 C ATOM 1790 CD2 TYR A 106 -4.564 -2.177 -4.999 1.00 44.43 C ATOM 1791 CE1 TYR A 106 -6.295 -1.932 -2.826 1.00 3.33 C ATOM 1792 CE2 TYR A 106 -5.138 -0.904 -4.647 1.00 41.03 C ATOM 1793 CZ TYR A 106 -5.977 -0.845 -3.577 1.00 45.15 C ATOM 1794 OH TYR A 106 -6.522 0.356 -3.245 1.00 44.34 O ATOM 0 H TYR A 106 -1.463 -4.541 -4.862 1.00 53.40 H new ATOM 0 HA TYR A 106 -3.380 -5.002 -2.652 1.00 42.31 H new ATOM 0 HB2 TYR A 106 -3.876 -4.597 -5.652 1.00 64.40 H new ATOM 0 HB3 TYR A 106 -5.038 -5.409 -4.621 1.00 64.40 H new ATOM 0 HD1 TYR A 106 -5.957 -4.083 -2.597 1.00 34.43 H new ATOM 0 HD2 TYR A 106 -3.896 -2.253 -5.845 1.00 44.43 H new ATOM 0 HE1 TYR A 106 -6.965 -1.844 -1.983 1.00 3.33 H new ATOM 0 HE2 TYR A 106 -4.908 -0.017 -5.219 1.00 41.03 H new ATOM 0 HH TYR A 106 -6.624 0.903 -4.052 1.00 44.34 H new ATOM 1804 N VAL A 107 -2.262 -7.224 -2.962 1.00 22.34 N ATOM 1805 CA VAL A 107 -1.911 -8.630 -3.077 1.00 40.22 C ATOM 1806 C VAL A 107 -3.096 -9.485 -2.621 1.00 71.32 C ATOM 1807 O VAL A 107 -4.008 -8.987 -1.962 1.00 62.14 O ATOM 1808 CB VAL A 107 -0.630 -8.916 -2.292 1.00 15.44 C ATOM 1809 CG1 VAL A 107 -0.626 -10.348 -1.755 1.00 53.13 C ATOM 1810 CG2 VAL A 107 0.608 -8.648 -3.148 1.00 51.41 C ATOM 0 H VAL A 107 -2.053 -6.805 -2.056 1.00 22.34 H new ATOM 0 HA VAL A 107 -1.703 -8.888 -4.115 1.00 40.22 H new ATOM 0 HB VAL A 107 -0.600 -8.238 -1.439 1.00 15.44 H new ATOM 0 HG11 VAL A 107 0.295 -10.526 -1.201 1.00 53.13 H new ATOM 0 HG12 VAL A 107 -1.481 -10.491 -1.094 1.00 53.13 H new ATOM 0 HG13 VAL A 107 -0.690 -11.049 -2.587 1.00 53.13 H new ATOM 0 HG21 VAL A 107 1.505 -8.859 -2.566 1.00 51.41 H new ATOM 0 HG22 VAL A 107 0.587 -9.290 -4.029 1.00 51.41 H new ATOM 0 HG23 VAL A 107 0.615 -7.604 -3.460 1.00 51.41 H new ATOM 1820 N THR A 108 -3.045 -10.756 -2.990 1.00 21.14 N ATOM 1821 CA THR A 108 -4.101 -11.684 -2.628 1.00 55.41 C ATOM 1822 C THR A 108 -3.554 -13.110 -2.542 1.00 62.50 C ATOM 1823 O THR A 108 -3.232 -13.717 -3.563 1.00 11.44 O ATOM 1824 CB THR A 108 -5.235 -11.529 -3.642 1.00 74.21 C ATOM 1825 OG1 THR A 108 -5.044 -10.223 -4.180 1.00 40.54 O ATOM 1826 CG2 THR A 108 -6.612 -11.460 -2.977 1.00 22.42 C ATOM 0 H THR A 108 -2.287 -11.165 -3.537 1.00 21.14 H new ATOM 0 HA THR A 108 -4.498 -11.462 -1.637 1.00 55.41 H new ATOM 0 HB THR A 108 -5.212 -12.365 -4.342 1.00 74.21 H new ATOM 0 HG1 THR A 108 -5.737 -10.040 -4.849 1.00 40.54 H new ATOM 0 HG21 THR A 108 -7.380 -11.350 -3.742 1.00 22.42 H new ATOM 0 HG22 THR A 108 -6.790 -12.376 -2.413 1.00 22.42 H new ATOM 0 HG23 THR A 108 -6.647 -10.605 -2.302 1.00 22.42 H new ATOM 1834 N TYR A 109 -3.463 -13.603 -1.315 1.00 43.11 N ATOM 1835 CA TYR A 109 -2.958 -14.946 -1.084 1.00 32.00 C ATOM 1836 C TYR A 109 -4.106 -15.952 -0.982 1.00 31.13 C ATOM 1837 O TYR A 109 -5.132 -15.669 -0.367 1.00 1.41 O ATOM 1838 CB TYR A 109 -2.221 -14.894 0.255 1.00 63.54 C ATOM 1839 CG TYR A 109 -3.144 -14.772 1.469 1.00 53.43 C ATOM 1840 CD1 TYR A 109 -3.527 -13.525 1.923 1.00 21.34 C ATOM 1841 CD2 TYR A 109 -3.593 -15.908 2.113 1.00 61.31 C ATOM 1842 CE1 TYR A 109 -4.397 -13.411 3.065 1.00 12.40 C ATOM 1843 CE2 TYR A 109 -4.462 -15.792 3.255 1.00 51.34 C ATOM 1844 CZ TYR A 109 -4.821 -14.550 3.675 1.00 12.31 C ATOM 1845 OH TYR A 109 -5.641 -14.440 4.754 1.00 35.34 O ATOM 0 H TYR A 109 -3.730 -13.097 -0.471 1.00 43.11 H new ATOM 0 HA TYR A 109 -2.313 -15.261 -1.904 1.00 32.00 H new ATOM 0 HB2 TYR A 109 -1.616 -15.795 0.360 1.00 63.54 H new ATOM 0 HB3 TYR A 109 -1.534 -14.048 0.247 1.00 63.54 H new ATOM 0 HD1 TYR A 109 -3.174 -12.636 1.422 1.00 21.34 H new ATOM 0 HD2 TYR A 109 -3.292 -16.883 1.760 1.00 61.31 H new ATOM 0 HE1 TYR A 109 -4.706 -12.442 3.429 1.00 12.40 H new ATOM 0 HE2 TYR A 109 -4.821 -16.673 3.767 1.00 51.34 H new ATOM 0 HH TYR A 109 -6.018 -15.319 4.970 1.00 35.34 H new ATOM 1855 N SER A 110 -3.894 -17.107 -1.595 1.00 65.21 N ATOM 1856 CA SER A 110 -4.898 -18.158 -1.581 1.00 13.24 C ATOM 1857 C SER A 110 -4.235 -19.514 -1.331 1.00 41.23 C ATOM 1858 O SER A 110 -3.057 -19.698 -1.636 1.00 40.25 O ATOM 1859 CB SER A 110 -5.683 -18.186 -2.894 1.00 42.53 C ATOM 1860 OG SER A 110 -6.750 -19.130 -2.858 1.00 73.50 O ATOM 0 H SER A 110 -3.041 -17.339 -2.105 1.00 65.21 H new ATOM 0 HA SER A 110 -5.599 -17.950 -0.773 1.00 13.24 H new ATOM 0 HB2 SER A 110 -6.084 -17.193 -3.098 1.00 42.53 H new ATOM 0 HB3 SER A 110 -5.009 -18.432 -3.714 1.00 42.53 H new ATOM 0 HG SER A 110 -7.197 -19.152 -3.730 1.00 73.50 H new ATOM 1866 N GLY A 111 -5.018 -20.427 -0.778 1.00 54.34 N ATOM 1867 CA GLY A 111 -4.521 -21.760 -0.483 1.00 10.15 C ATOM 1868 C GLY A 111 -4.537 -22.640 -1.734 1.00 11.13 C ATOM 1869 O GLY A 111 -4.242 -23.832 -1.663 1.00 34.05 O ATOM 0 H GLY A 111 -5.994 -20.270 -0.526 1.00 54.34 H new ATOM 0 HA2 GLY A 111 -3.505 -21.695 -0.093 1.00 10.15 H new ATOM 0 HA3 GLY A 111 -5.133 -22.216 0.295 1.00 10.15 H new ATOM 1873 N GLU A 112 -4.886 -22.019 -2.851 1.00 51.04 N ATOM 1874 CA GLU A 112 -4.944 -22.731 -4.117 1.00 65.25 C ATOM 1875 C GLU A 112 -3.921 -22.155 -5.098 1.00 62.14 C ATOM 1876 O GLU A 112 -3.801 -20.938 -5.231 1.00 15.24 O ATOM 1877 CB GLU A 112 -6.355 -22.687 -4.707 1.00 35.22 C ATOM 1878 CG GLU A 112 -6.622 -21.343 -5.387 1.00 43.23 C ATOM 1879 CD GLU A 112 -8.118 -21.017 -5.390 1.00 13.11 C ATOM 1880 OE1 GLU A 112 -8.610 -20.365 -4.457 1.00 1.43 O ATOM 1881 OE2 GLU A 112 -8.771 -21.465 -6.407 1.00 41.42 O ATOM 0 H GLU A 112 -5.132 -21.031 -2.906 1.00 51.04 H new ATOM 0 HA GLU A 112 -4.694 -23.776 -3.935 1.00 65.25 H new ATOM 0 HB2 GLU A 112 -6.477 -23.495 -5.429 1.00 35.22 H new ATOM 0 HB3 GLU A 112 -7.089 -22.852 -3.918 1.00 35.22 H new ATOM 0 HG2 GLU A 112 -6.075 -20.555 -4.869 1.00 43.23 H new ATOM 0 HG3 GLU A 112 -6.250 -21.369 -6.411 1.00 43.23 H new ATOM 1889 N ASN A 113 -3.210 -23.055 -5.760 1.00 71.13 N ATOM 1890 CA ASN A 113 -2.203 -22.653 -6.725 1.00 34.31 C ATOM 1891 C ASN A 113 -2.836 -22.574 -8.116 1.00 20.23 C ATOM 1892 O ASN A 113 -2.130 -22.548 -9.122 1.00 34.14 O ATOM 1893 CB ASN A 113 -1.059 -23.668 -6.783 1.00 45.03 C ATOM 1894 CG ASN A 113 0.058 -23.183 -7.711 1.00 12.10 C ATOM 1895 OD1 ASN A 113 0.259 -23.691 -8.801 1.00 30.35 O ATOM 1896 ND2 ASN A 113 0.770 -22.172 -7.218 1.00 31.33 N ATOM 0 H ASN A 113 -3.312 -24.063 -5.646 1.00 71.13 H new ATOM 0 HA ASN A 113 -1.810 -21.684 -6.417 1.00 34.31 H new ATOM 0 HB2 ASN A 113 -0.660 -23.830 -5.782 1.00 45.03 H new ATOM 0 HB3 ASN A 113 -1.437 -24.628 -7.134 1.00 45.03 H new ATOM 0 HD21 ASN A 113 1.537 -21.776 -7.761 1.00 31.33 H new ATOM 0 HD22 ASN A 113 0.548 -21.793 -6.297 1.00 31.33 H new ATOM 2441 N ILE B 629 4.241 -7.473 9.343 1.00 24.41 N ATOM 2442 CA ILE B 629 3.561 -7.075 8.123 1.00 43.42 C ATOM 2443 C ILE B 629 4.546 -7.139 6.952 1.00 31.11 C ATOM 2444 O ILE B 629 4.293 -6.568 5.892 1.00 23.45 O ATOM 2445 CB ILE B 629 2.904 -5.704 8.298 1.00 50.14 C ATOM 2446 CG1 ILE B 629 3.892 -4.692 8.880 1.00 52.51 C ATOM 2447 CG2 ILE B 629 1.631 -5.811 9.140 1.00 41.43 C ATOM 2448 CD1 ILE B 629 5.183 -4.653 8.060 1.00 61.41 C ATOM 0 HA ILE B 629 2.749 -7.766 7.897 1.00 43.42 H new ATOM 0 HB ILE B 629 2.611 -5.338 7.314 1.00 50.14 H new ATOM 0 HG12 ILE B 629 3.437 -3.702 8.896 1.00 52.51 H new ATOM 0 HG13 ILE B 629 4.121 -4.954 9.913 1.00 52.51 H new ATOM 0 HG21 ILE B 629 1.183 -4.823 9.250 1.00 41.43 H new ATOM 0 HG22 ILE B 629 0.923 -6.478 8.647 1.00 41.43 H new ATOM 0 HG23 ILE B 629 1.878 -6.209 10.124 1.00 41.43 H new ATOM 0 HD11 ILE B 629 5.868 -3.926 8.495 1.00 61.41 H new ATOM 0 HD12 ILE B 629 5.648 -5.639 8.066 1.00 61.41 H new ATOM 0 HD13 ILE B 629 4.954 -4.367 7.034 1.00 61.41 H new ATOM 2460 N ALA B 630 5.647 -7.838 7.183 1.00 41.41 N ATOM 2461 CA ALA B 630 6.669 -7.985 6.161 1.00 34.31 C ATOM 2462 C ALA B 630 6.155 -8.913 5.061 1.00 73.25 C ATOM 2463 O ALA B 630 5.263 -8.545 4.298 1.00 11.20 O ATOM 2464 CB ALA B 630 7.961 -8.498 6.801 1.00 15.34 C ATOM 0 H ALA B 630 5.854 -8.309 8.064 1.00 41.41 H new ATOM 0 HA ALA B 630 6.893 -7.022 5.701 1.00 34.31 H new ATOM 0 HB1 ALA B 630 8.728 -8.608 6.034 1.00 15.34 H new ATOM 0 HB2 ALA B 630 8.301 -7.788 7.555 1.00 15.34 H new ATOM 0 HB3 ALA B 630 7.776 -9.464 7.271 1.00 15.34 H new