USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 818 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 88 THR OG1 : rot -160:sc= 0.724 USER MOD Set 1.2: A 91 GLN : amide:sc= 0.326 X(o=1.1,f=0.59) USER MOD Single : A 6 THR OG1 : rot 123:sc= 0.364 USER MOD Single : A 8 TYR OH : rot 30:sc= -0.838 USER MOD Single : A 11 LYS NZ :NH3+ -153:sc= -0.397 (180deg=-1.28) USER MOD Single : A 21 SER OG : rot 36:sc= 0.0849 USER MOD Single : A 25 ASN : amide:sc= -0.144 K(o=-0.14,f=-1.2) USER MOD Single : A 27 SER OG : rot 51:sc= 0.158 USER MOD Single : A 29 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -3.81! C(o=-3.8!,f=-6.4!) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 LYS NZ :NH3+ 158:sc= -0.0413 (180deg=-0.301) USER MOD Single : A 53 SER OG : rot 164:sc= 0.15 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 MET CE :methyl 146:sc= -1.51 (180deg=-2.7) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot 170:sc= 0.0809 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.817 K(o=-0.82,f=-2.2) USER MOD Single : A 78 MET CE :methyl -167:sc= -2.65 (180deg=-2.89!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00163) USER MOD Single : A 93 LYS NZ :NH3+ -131:sc= 0.803 (180deg=-2.65!) USER MOD Single : A 95 GLN : amide:sc= -1.45 K(o=-1.4,f=-2.5) USER MOD Single : A 96 THR OG1 : rot -91:sc= 1.27 USER MOD Single : B 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B -4 SER OG : rot 180:sc= 0 USER MOD Single : B -7 PHE N :NH3+ -161:sc= -0.336 (180deg=-0.738!) USER MOD ----------------------------------------------------------------- ATOM 42 N LEU A 2 8.128 -6.372 -10.528 1.00 42.14 N ATOM 43 CA LEU A 2 9.446 -6.380 -9.903 1.00 1.31 C ATOM 44 C LEU A 2 10.227 -7.630 -10.295 1.00 4.24 C ATOM 45 O LEU A 2 9.804 -8.752 -10.017 1.00 15.00 O ATOM 46 CB LEU A 2 9.310 -6.305 -8.381 1.00 65.21 C ATOM 47 CG LEU A 2 10.385 -5.500 -7.650 1.00 64.01 C ATOM 48 CD1 LEU A 2 11.767 -5.850 -8.180 1.00 42.23 C ATOM 49 CD2 LEU A 2 10.121 -4.008 -7.789 1.00 12.11 C ATOM 0 HA LEU A 2 9.994 -5.507 -10.256 1.00 1.31 H new ATOM 0 HB2 LEU A 2 8.337 -5.874 -8.144 1.00 65.21 H new ATOM 0 HB3 LEU A 2 9.313 -7.321 -7.985 1.00 65.21 H new ATOM 0 HG LEU A 2 10.348 -5.758 -6.592 1.00 64.01 H new ATOM 0 HD11 LEU A 2 12.519 -5.267 -7.648 1.00 42.23 H new ATOM 0 HD12 LEU A 2 11.957 -6.913 -8.028 1.00 42.23 H new ATOM 0 HD13 LEU A 2 11.817 -5.621 -9.245 1.00 42.23 H new ATOM 0 HD21 LEU A 2 10.896 -3.451 -7.263 1.00 12.11 H new ATOM 0 HD22 LEU A 2 10.130 -3.734 -8.844 1.00 12.11 H new ATOM 0 HD23 LEU A 2 9.148 -3.769 -7.360 1.00 12.11 H new ATOM 61 N PHE A 3 11.372 -7.428 -10.939 1.00 73.34 N ATOM 62 CA PHE A 3 12.214 -8.539 -11.368 1.00 75.13 C ATOM 63 C PHE A 3 13.686 -8.239 -11.104 1.00 21.33 C ATOM 64 O PHE A 3 14.147 -7.116 -11.304 1.00 25.13 O ATOM 65 CB PHE A 3 11.999 -8.825 -12.856 1.00 52.31 C ATOM 66 CG PHE A 3 10.650 -9.408 -13.166 1.00 12.30 C ATOM 67 CD1 PHE A 3 9.544 -8.587 -13.320 1.00 44.42 C ATOM 68 CD2 PHE A 3 10.487 -10.777 -13.304 1.00 1.24 C ATOM 69 CE1 PHE A 3 8.302 -9.121 -13.605 1.00 11.34 C ATOM 70 CE2 PHE A 3 9.247 -11.317 -13.588 1.00 51.44 C ATOM 71 CZ PHE A 3 8.153 -10.487 -13.740 1.00 61.21 C ATOM 0 H PHE A 3 11.738 -6.506 -11.175 1.00 73.34 H new ATOM 0 HA PHE A 3 11.932 -9.420 -10.791 1.00 75.13 H new ATOM 0 HB2 PHE A 3 12.123 -7.899 -13.417 1.00 52.31 H new ATOM 0 HB3 PHE A 3 12.771 -9.513 -13.201 1.00 52.31 H new ATOM 0 HD1 PHE A 3 9.654 -7.518 -13.216 1.00 44.42 H new ATOM 0 HD2 PHE A 3 11.339 -11.430 -13.188 1.00 1.24 H new ATOM 0 HE1 PHE A 3 7.448 -8.470 -13.722 1.00 11.34 H new ATOM 0 HE2 PHE A 3 9.133 -12.386 -13.691 1.00 51.44 H new ATOM 0 HZ PHE A 3 7.183 -10.906 -13.964 1.00 61.21 H new ATOM 81 N ALA A 4 14.418 -9.252 -10.652 1.00 62.41 N ATOM 82 CA ALA A 4 15.838 -9.099 -10.361 1.00 42.32 C ATOM 83 C ALA A 4 16.656 -10.207 -11.016 1.00 52.22 C ATOM 84 O ALA A 4 16.131 -11.273 -11.336 1.00 33.51 O ATOM 85 CB ALA A 4 16.071 -9.087 -8.858 1.00 14.04 C ATOM 0 H ALA A 4 14.051 -10.188 -10.479 1.00 62.41 H new ATOM 0 HA ALA A 4 16.167 -8.146 -10.776 1.00 42.32 H new ATOM 0 HB1 ALA A 4 17.136 -8.972 -8.656 1.00 14.04 H new ATOM 0 HB2 ALA A 4 15.525 -8.256 -8.412 1.00 14.04 H new ATOM 0 HB3 ALA A 4 15.719 -10.025 -8.428 1.00 14.04 H new ATOM 91 N VAL A 5 17.944 -9.947 -11.214 1.00 63.22 N ATOM 92 CA VAL A 5 18.835 -10.923 -11.831 1.00 71.00 C ATOM 93 C VAL A 5 20.031 -11.220 -10.934 1.00 1.34 C ATOM 94 O VAL A 5 20.719 -10.307 -10.474 1.00 34.32 O ATOM 95 CB VAL A 5 19.343 -10.433 -13.200 1.00 10.42 C ATOM 96 CG1 VAL A 5 20.107 -9.126 -13.049 1.00 53.22 C ATOM 97 CG2 VAL A 5 20.212 -11.495 -13.857 1.00 13.42 C ATOM 0 H VAL A 5 18.394 -9.069 -10.956 1.00 63.22 H new ATOM 0 HA VAL A 5 18.255 -11.835 -11.972 1.00 71.00 H new ATOM 0 HB VAL A 5 18.482 -10.251 -13.844 1.00 10.42 H new ATOM 0 HG11 VAL A 5 20.458 -8.795 -14.026 1.00 53.22 H new ATOM 0 HG12 VAL A 5 19.450 -8.368 -12.624 1.00 53.22 H new ATOM 0 HG13 VAL A 5 20.961 -9.278 -12.389 1.00 53.22 H new ATOM 0 HG21 VAL A 5 20.562 -11.132 -14.823 1.00 13.42 H new ATOM 0 HG22 VAL A 5 21.068 -11.711 -13.218 1.00 13.42 H new ATOM 0 HG23 VAL A 5 19.629 -12.404 -14.001 1.00 13.42 H new ATOM 107 N THR A 6 20.276 -12.503 -10.688 1.00 34.24 N ATOM 108 CA THR A 6 21.388 -12.921 -9.845 1.00 25.33 C ATOM 109 C THR A 6 22.722 -12.724 -10.557 1.00 31.13 C ATOM 110 O THR A 6 22.912 -13.190 -11.681 1.00 52.32 O ATOM 111 CB THR A 6 21.255 -14.399 -9.430 1.00 13.45 C ATOM 112 OG1 THR A 6 20.379 -15.084 -10.332 1.00 14.44 O ATOM 113 CG2 THR A 6 20.721 -14.516 -8.010 1.00 3.43 C ATOM 0 H THR A 6 19.718 -13.271 -11.061 1.00 34.24 H new ATOM 0 HA THR A 6 21.359 -12.296 -8.952 1.00 25.33 H new ATOM 0 HB THR A 6 22.244 -14.855 -9.468 1.00 13.45 H new ATOM 0 HG1 THR A 6 20.849 -15.847 -10.728 1.00 14.44 H new ATOM 0 HG21 THR A 6 20.636 -15.568 -7.739 1.00 3.43 H new ATOM 0 HG22 THR A 6 21.405 -14.018 -7.322 1.00 3.43 H new ATOM 0 HG23 THR A 6 19.740 -14.045 -7.950 1.00 3.43 H new ATOM 121 N LEU A 7 23.643 -12.032 -9.896 1.00 24.33 N ATOM 122 CA LEU A 7 24.961 -11.774 -10.466 1.00 22.13 C ATOM 123 C LEU A 7 26.003 -12.721 -9.879 1.00 63.02 C ATOM 124 O LEU A 7 27.077 -12.910 -10.451 1.00 42.40 O ATOM 125 CB LEU A 7 25.373 -10.323 -10.211 1.00 62.11 C ATOM 126 CG LEU A 7 24.396 -9.253 -10.698 1.00 0.51 C ATOM 127 CD1 LEU A 7 24.762 -7.894 -10.122 1.00 4.43 C ATOM 128 CD2 LEU A 7 24.376 -9.201 -12.219 1.00 35.13 C ATOM 0 H LEU A 7 23.502 -11.639 -8.965 1.00 24.33 H new ATOM 0 HA LEU A 7 24.905 -11.946 -11.541 1.00 22.13 H new ATOM 0 HB2 LEU A 7 25.520 -10.191 -9.139 1.00 62.11 H new ATOM 0 HB3 LEU A 7 26.337 -10.151 -10.689 1.00 62.11 H new ATOM 0 HG LEU A 7 23.397 -9.516 -10.350 1.00 0.51 H new ATOM 0 HD11 LEU A 7 24.056 -7.145 -10.480 1.00 4.43 H new ATOM 0 HD12 LEU A 7 24.724 -7.938 -9.034 1.00 4.43 H new ATOM 0 HD13 LEU A 7 25.769 -7.624 -10.439 1.00 4.43 H new ATOM 0 HD21 LEU A 7 23.675 -8.434 -12.548 1.00 35.13 H new ATOM 0 HD22 LEU A 7 25.374 -8.963 -12.588 1.00 35.13 H new ATOM 0 HD23 LEU A 7 24.065 -10.169 -12.612 1.00 35.13 H new ATOM 140 N TYR A 8 25.678 -13.316 -8.737 1.00 2.53 N ATOM 141 CA TYR A 8 26.586 -14.243 -8.072 1.00 60.25 C ATOM 142 C TYR A 8 25.849 -15.504 -7.630 1.00 43.31 C ATOM 143 O TYR A 8 24.623 -15.516 -7.531 1.00 11.32 O ATOM 144 CB TYR A 8 27.241 -13.571 -6.864 1.00 62.45 C ATOM 145 CG TYR A 8 27.755 -12.179 -7.151 1.00 11.51 C ATOM 146 CD1 TYR A 8 26.912 -11.077 -7.076 1.00 41.40 C ATOM 147 CD2 TYR A 8 29.084 -11.964 -7.496 1.00 31.44 C ATOM 148 CE1 TYR A 8 27.377 -9.802 -7.338 1.00 21.53 C ATOM 149 CE2 TYR A 8 29.558 -10.694 -7.758 1.00 1.55 C ATOM 150 CZ TYR A 8 28.701 -9.616 -7.678 1.00 32.02 C ATOM 151 OH TYR A 8 29.168 -8.348 -7.938 1.00 22.12 O ATOM 0 H TYR A 8 24.792 -13.173 -8.252 1.00 2.53 H new ATOM 0 HA TYR A 8 27.360 -14.527 -8.784 1.00 60.25 H new ATOM 0 HB2 TYR A 8 26.518 -13.522 -6.050 1.00 62.45 H new ATOM 0 HB3 TYR A 8 28.068 -14.191 -6.518 1.00 62.45 H new ATOM 0 HD1 TYR A 8 25.875 -11.219 -6.808 1.00 41.40 H new ATOM 0 HD2 TYR A 8 29.758 -12.805 -7.560 1.00 31.44 H new ATOM 0 HE1 TYR A 8 26.708 -8.956 -7.277 1.00 21.53 H new ATOM 0 HE2 TYR A 8 30.594 -10.545 -8.024 1.00 1.55 H new ATOM 0 HH TYR A 8 28.656 -7.697 -7.414 1.00 22.12 H new ATOM 161 N GLU A 9 26.608 -16.563 -7.365 1.00 41.42 N ATOM 162 CA GLU A 9 26.028 -17.829 -6.933 1.00 53.33 C ATOM 163 C GLU A 9 25.735 -17.810 -5.436 1.00 21.42 C ATOM 164 O GLU A 9 26.646 -17.903 -4.613 1.00 0.33 O ATOM 165 CB GLU A 9 26.970 -18.987 -7.266 1.00 24.22 C ATOM 166 CG GLU A 9 26.436 -20.346 -6.846 1.00 24.22 C ATOM 167 CD GLU A 9 25.933 -21.163 -8.020 1.00 33.44 C ATOM 168 OE1 GLU A 9 26.604 -21.167 -9.072 1.00 65.52 O ATOM 169 OE2 GLU A 9 24.866 -21.799 -7.885 1.00 22.21 O ATOM 0 H GLU A 9 27.625 -16.569 -7.442 1.00 41.42 H new ATOM 0 HA GLU A 9 25.089 -17.970 -7.467 1.00 53.33 H new ATOM 0 HB2 GLU A 9 27.156 -18.995 -8.340 1.00 24.22 H new ATOM 0 HB3 GLU A 9 27.929 -18.816 -6.777 1.00 24.22 H new ATOM 0 HG2 GLU A 9 27.223 -20.899 -6.334 1.00 24.22 H new ATOM 0 HG3 GLU A 9 25.626 -20.208 -6.130 1.00 24.22 H new ATOM 176 N PHE A 10 24.458 -17.690 -5.090 1.00 34.00 N ATOM 177 CA PHE A 10 24.044 -17.658 -3.692 1.00 52.20 C ATOM 178 C PHE A 10 23.819 -19.070 -3.159 1.00 2.34 C ATOM 179 O PHE A 10 23.054 -19.847 -3.729 1.00 61.43 O ATOM 180 CB PHE A 10 22.765 -16.832 -3.536 1.00 22.05 C ATOM 181 CG PHE A 10 22.398 -16.561 -2.105 1.00 1.15 C ATOM 182 CD1 PHE A 10 23.275 -15.894 -1.265 1.00 4.31 C ATOM 183 CD2 PHE A 10 21.176 -16.973 -1.599 1.00 54.21 C ATOM 184 CE1 PHE A 10 22.940 -15.644 0.052 1.00 3.34 C ATOM 185 CE2 PHE A 10 20.835 -16.725 -0.283 1.00 33.34 C ATOM 186 CZ PHE A 10 21.718 -16.059 0.544 1.00 40.12 C ATOM 0 H PHE A 10 23.691 -17.613 -5.759 1.00 34.00 H new ATOM 0 HA PHE A 10 24.842 -17.193 -3.113 1.00 52.20 H new ATOM 0 HB2 PHE A 10 22.889 -15.883 -4.057 1.00 22.05 H new ATOM 0 HB3 PHE A 10 21.942 -17.357 -4.021 1.00 22.05 H new ATOM 0 HD1 PHE A 10 24.232 -15.566 -1.644 1.00 4.31 H new ATOM 0 HD2 PHE A 10 20.481 -17.494 -2.241 1.00 54.21 H new ATOM 0 HE1 PHE A 10 23.633 -15.124 0.696 1.00 3.34 H new ATOM 0 HE2 PHE A 10 19.879 -17.052 0.098 1.00 33.34 H new ATOM 0 HZ PHE A 10 21.454 -15.863 1.573 1.00 40.12 H new ATOM 196 N LYS A 11 24.492 -19.395 -2.060 1.00 44.41 N ATOM 197 CA LYS A 11 24.368 -20.712 -1.447 1.00 53.32 C ATOM 198 C LYS A 11 23.527 -20.643 -0.176 1.00 71.04 C ATOM 199 O LYS A 11 23.994 -20.181 0.864 1.00 42.00 O ATOM 200 CB LYS A 11 25.752 -21.280 -1.126 1.00 34.44 C ATOM 201 CG LYS A 11 26.652 -21.414 -2.342 1.00 32.23 C ATOM 202 CD LYS A 11 27.527 -20.186 -2.525 1.00 42.23 C ATOM 203 CE LYS A 11 28.822 -20.301 -1.735 1.00 14.30 C ATOM 204 NZ LYS A 11 28.641 -19.895 -0.314 1.00 4.15 N ATOM 0 H LYS A 11 25.130 -18.763 -1.575 1.00 44.41 H new ATOM 0 HA LYS A 11 23.868 -21.371 -2.157 1.00 53.32 H new ATOM 0 HB2 LYS A 11 26.239 -20.636 -0.394 1.00 34.44 H new ATOM 0 HB3 LYS A 11 25.635 -22.259 -0.662 1.00 34.44 H new ATOM 0 HG2 LYS A 11 27.281 -22.298 -2.235 1.00 32.23 H new ATOM 0 HG3 LYS A 11 26.042 -21.563 -3.233 1.00 32.23 H new ATOM 0 HD2 LYS A 11 27.755 -20.055 -3.583 1.00 42.23 H new ATOM 0 HD3 LYS A 11 26.982 -19.298 -2.204 1.00 42.23 H new ATOM 0 HE2 LYS A 11 29.183 -21.329 -1.776 1.00 14.30 H new ATOM 0 HE3 LYS A 11 29.586 -19.676 -2.197 1.00 14.30 H new ATOM 0 HZ1 LYS A 11 29.545 -19.547 0.065 1.00 4.15 H new ATOM 0 HZ2 LYS A 11 27.928 -19.140 -0.257 1.00 4.15 H new ATOM 0 HZ3 LYS A 11 28.324 -20.714 0.243 1.00 4.15 H new ATOM 218 N ALA A 12 22.285 -21.107 -0.268 1.00 51.03 N ATOM 219 CA ALA A 12 21.381 -21.101 0.875 1.00 33.20 C ATOM 220 C ALA A 12 22.013 -21.792 2.078 1.00 20.14 C ATOM 221 O ALA A 12 22.959 -22.565 1.935 1.00 64.24 O ATOM 222 CB ALA A 12 20.065 -21.772 0.510 1.00 15.24 C ATOM 0 H ALA A 12 21.882 -21.492 -1.122 1.00 51.03 H new ATOM 0 HA ALA A 12 21.185 -20.064 1.146 1.00 33.20 H new ATOM 0 HB1 ALA A 12 19.399 -21.761 1.373 1.00 15.24 H new ATOM 0 HB2 ALA A 12 19.599 -21.234 -0.315 1.00 15.24 H new ATOM 0 HB3 ALA A 12 20.253 -22.803 0.211 1.00 15.24 H new ATOM 228 N GLU A 13 21.484 -21.507 3.264 1.00 31.12 N ATOM 229 CA GLU A 13 21.999 -22.101 4.492 1.00 11.14 C ATOM 230 C GLU A 13 20.926 -22.938 5.183 1.00 25.33 C ATOM 231 O GLU A 13 21.228 -23.941 5.831 1.00 3.42 O ATOM 232 CB GLU A 13 22.500 -21.010 5.441 1.00 31.24 C ATOM 233 CG GLU A 13 21.551 -19.830 5.568 1.00 74.50 C ATOM 234 CD GLU A 13 21.756 -19.052 6.853 1.00 52.21 C ATOM 235 OE1 GLU A 13 22.802 -18.383 6.981 1.00 1.42 O ATOM 236 OE2 GLU A 13 20.869 -19.112 7.730 1.00 11.12 O ATOM 0 H GLU A 13 20.700 -20.869 3.400 1.00 31.12 H new ATOM 0 HA GLU A 13 22.831 -22.754 4.229 1.00 11.14 H new ATOM 0 HB2 GLU A 13 22.660 -21.444 6.428 1.00 31.24 H new ATOM 0 HB3 GLU A 13 23.467 -20.651 5.090 1.00 31.24 H new ATOM 0 HG2 GLU A 13 21.691 -19.163 4.718 1.00 74.50 H new ATOM 0 HG3 GLU A 13 20.523 -20.189 5.525 1.00 74.50 H new ATOM 243 N ARG A 14 19.673 -22.519 5.040 1.00 25.03 N ATOM 244 CA ARG A 14 18.556 -23.228 5.652 1.00 60.45 C ATOM 245 C ARG A 14 17.521 -23.620 4.601 1.00 31.21 C ATOM 246 O ARG A 14 17.722 -23.404 3.406 1.00 62.21 O ATOM 247 CB ARG A 14 17.902 -22.362 6.729 1.00 0.50 C ATOM 248 CG ARG A 14 18.811 -22.071 7.912 1.00 43.12 C ATOM 249 CD ARG A 14 18.911 -23.268 8.845 1.00 44.52 C ATOM 250 NE ARG A 14 20.161 -23.269 9.601 1.00 14.45 N ATOM 251 CZ ARG A 14 20.426 -24.127 10.580 1.00 2.41 C ATOM 252 NH1 ARG A 14 19.535 -25.048 10.919 1.00 51.05 N ATOM 253 NH2 ARG A 14 21.586 -24.064 11.222 1.00 32.31 N ATOM 0 H ARG A 14 19.406 -21.692 4.506 1.00 25.03 H new ATOM 0 HA ARG A 14 18.944 -24.136 6.113 1.00 60.45 H new ATOM 0 HB2 ARG A 14 17.587 -21.419 6.283 1.00 0.50 H new ATOM 0 HB3 ARG A 14 17.002 -22.861 7.088 1.00 0.50 H new ATOM 0 HG2 ARG A 14 19.805 -21.805 7.552 1.00 43.12 H new ATOM 0 HG3 ARG A 14 18.430 -21.210 8.462 1.00 43.12 H new ATOM 0 HD2 ARG A 14 18.069 -23.260 9.537 1.00 44.52 H new ATOM 0 HD3 ARG A 14 18.838 -24.188 8.264 1.00 44.52 H new ATOM 0 HE ARG A 14 20.868 -22.573 9.364 1.00 14.45 H new ATOM 0 HH11 ARG A 14 18.643 -25.100 10.428 1.00 51.05 H new ATOM 0 HH12 ARG A 14 19.742 -25.705 11.671 1.00 51.05 H new ATOM 0 HH21 ARG A 14 22.274 -23.357 10.964 1.00 32.31 H new ATOM 0 HH22 ARG A 14 21.789 -24.723 11.974 1.00 32.31 H new ATOM 267 N ASP A 15 16.414 -24.197 5.055 1.00 20.35 N ATOM 268 CA ASP A 15 15.347 -24.619 4.155 1.00 12.05 C ATOM 269 C ASP A 15 14.677 -23.413 3.504 1.00 64.12 C ATOM 270 O ASP A 15 14.329 -23.447 2.324 1.00 52.45 O ATOM 271 CB ASP A 15 14.308 -25.447 4.914 1.00 1.51 C ATOM 272 CG ASP A 15 13.460 -26.298 3.990 1.00 34.25 C ATOM 273 OD1 ASP A 15 14.038 -27.071 3.198 1.00 0.42 O ATOM 274 OD2 ASP A 15 12.217 -26.192 4.059 1.00 10.33 O ATOM 0 H ASP A 15 16.232 -24.383 6.041 1.00 20.35 H new ATOM 0 HA ASP A 15 15.788 -25.234 3.371 1.00 12.05 H new ATOM 0 HB2 ASP A 15 14.815 -26.091 5.633 1.00 1.51 H new ATOM 0 HB3 ASP A 15 13.662 -24.780 5.484 1.00 1.51 H new ATOM 279 N ASP A 16 14.500 -22.350 4.280 1.00 20.05 N ATOM 280 CA ASP A 16 13.872 -21.133 3.779 1.00 22.01 C ATOM 281 C ASP A 16 14.662 -20.557 2.608 1.00 75.24 C ATOM 282 O ASP A 16 14.107 -20.303 1.539 1.00 70.21 O ATOM 283 CB ASP A 16 13.761 -20.094 4.896 1.00 45.44 C ATOM 284 CG ASP A 16 13.303 -20.700 6.207 1.00 12.44 C ATOM 285 OD1 ASP A 16 12.204 -21.293 6.235 1.00 43.54 O ATOM 286 OD2 ASP A 16 14.042 -20.580 7.207 1.00 31.12 O ATOM 0 H ASP A 16 14.783 -22.306 5.259 1.00 20.05 H new ATOM 0 HA ASP A 16 12.871 -21.387 3.429 1.00 22.01 H new ATOM 0 HB2 ASP A 16 14.729 -19.614 5.040 1.00 45.44 H new ATOM 0 HB3 ASP A 16 13.061 -19.315 4.595 1.00 45.44 H new ATOM 291 N GLU A 17 15.958 -20.353 2.818 1.00 63.25 N ATOM 292 CA GLU A 17 16.823 -19.805 1.779 1.00 74.33 C ATOM 293 C GLU A 17 16.724 -20.630 0.498 1.00 2.33 C ATOM 294 O GLU A 17 16.221 -21.754 0.507 1.00 10.13 O ATOM 295 CB GLU A 17 18.274 -19.764 2.261 1.00 1.13 C ATOM 296 CG GLU A 17 18.475 -18.931 3.516 1.00 52.30 C ATOM 297 CD GLU A 17 17.817 -17.568 3.422 1.00 2.44 C ATOM 298 OE1 GLU A 17 16.599 -17.478 3.685 1.00 44.14 O ATOM 299 OE2 GLU A 17 18.519 -16.591 3.087 1.00 25.21 O ATOM 0 H GLU A 17 16.432 -20.559 3.697 1.00 63.25 H new ATOM 0 HA GLU A 17 16.491 -18.789 1.564 1.00 74.33 H new ATOM 0 HB2 GLU A 17 18.613 -20.782 2.453 1.00 1.13 H new ATOM 0 HB3 GLU A 17 18.901 -19.363 1.465 1.00 1.13 H new ATOM 0 HG2 GLU A 17 18.069 -19.468 4.373 1.00 52.30 H new ATOM 0 HG3 GLU A 17 19.542 -18.804 3.696 1.00 52.30 H new ATOM 306 N LEU A 18 17.208 -20.063 -0.602 1.00 15.14 N ATOM 307 CA LEU A 18 17.174 -20.744 -1.891 1.00 62.12 C ATOM 308 C LEU A 18 18.471 -20.515 -2.661 1.00 72.35 C ATOM 309 O LEU A 18 19.048 -19.429 -2.617 1.00 13.44 O ATOM 310 CB LEU A 18 15.984 -20.255 -2.718 1.00 34.22 C ATOM 311 CG LEU A 18 15.755 -20.967 -4.051 1.00 73.44 C ATOM 312 CD1 LEU A 18 14.763 -22.108 -3.884 1.00 63.41 C ATOM 313 CD2 LEU A 18 15.266 -19.984 -5.104 1.00 54.53 C ATOM 0 H LEU A 18 17.628 -19.134 -0.627 1.00 15.14 H new ATOM 0 HA LEU A 18 17.065 -21.813 -1.707 1.00 62.12 H new ATOM 0 HB2 LEU A 18 15.082 -20.357 -2.115 1.00 34.22 H new ATOM 0 HB3 LEU A 18 16.117 -19.191 -2.915 1.00 34.22 H new ATOM 0 HG LEU A 18 16.705 -21.384 -4.385 1.00 73.44 H new ATOM 0 HD11 LEU A 18 14.613 -22.603 -4.843 1.00 63.41 H new ATOM 0 HD12 LEU A 18 15.153 -22.826 -3.162 1.00 63.41 H new ATOM 0 HD13 LEU A 18 13.812 -21.714 -3.526 1.00 63.41 H new ATOM 0 HD21 LEU A 18 15.108 -20.509 -6.046 1.00 54.53 H new ATOM 0 HD22 LEU A 18 14.328 -19.537 -4.776 1.00 54.53 H new ATOM 0 HD23 LEU A 18 16.011 -19.201 -5.245 1.00 54.53 H new ATOM 325 N ASP A 19 18.922 -21.545 -3.369 1.00 20.11 N ATOM 326 CA ASP A 19 20.149 -21.456 -4.152 1.00 52.23 C ATOM 327 C ASP A 19 19.866 -20.898 -5.543 1.00 54.45 C ATOM 328 O ASP A 19 18.832 -21.193 -6.144 1.00 0.53 O ATOM 329 CB ASP A 19 20.808 -22.831 -4.265 1.00 62.14 C ATOM 330 CG ASP A 19 21.990 -22.830 -5.215 1.00 71.23 C ATOM 331 OD1 ASP A 19 21.773 -23.009 -6.432 1.00 44.24 O ATOM 332 OD2 ASP A 19 23.131 -22.650 -4.742 1.00 20.03 O ATOM 0 H ASP A 19 18.456 -22.451 -3.417 1.00 20.11 H new ATOM 0 HA ASP A 19 20.830 -20.777 -3.639 1.00 52.23 H new ATOM 0 HB2 ASP A 19 21.139 -23.154 -3.278 1.00 62.14 H new ATOM 0 HB3 ASP A 19 20.071 -23.557 -4.608 1.00 62.14 H new ATOM 337 N VAL A 20 20.791 -20.089 -6.051 1.00 15.44 N ATOM 338 CA VAL A 20 20.641 -19.489 -7.371 1.00 53.10 C ATOM 339 C VAL A 20 21.999 -19.184 -7.993 1.00 74.25 C ATOM 340 O VAL A 20 22.941 -18.804 -7.298 1.00 73.50 O ATOM 341 CB VAL A 20 19.815 -18.191 -7.307 1.00 55.53 C ATOM 342 CG1 VAL A 20 20.433 -17.211 -6.321 1.00 65.45 C ATOM 343 CG2 VAL A 20 19.697 -17.566 -8.689 1.00 42.24 C ATOM 0 H VAL A 20 21.652 -19.834 -5.568 1.00 15.44 H new ATOM 0 HA VAL A 20 20.115 -20.215 -7.991 1.00 53.10 H new ATOM 0 HB VAL A 20 18.812 -18.437 -6.957 1.00 55.53 H new ATOM 0 HG11 VAL A 20 19.835 -16.300 -6.290 1.00 65.45 H new ATOM 0 HG12 VAL A 20 20.460 -17.661 -5.329 1.00 65.45 H new ATOM 0 HG13 VAL A 20 21.448 -16.968 -6.637 1.00 65.45 H new ATOM 0 HG21 VAL A 20 19.110 -16.650 -8.625 1.00 42.24 H new ATOM 0 HG22 VAL A 20 20.692 -17.334 -9.070 1.00 42.24 H new ATOM 0 HG23 VAL A 20 19.204 -18.266 -9.364 1.00 42.24 H new ATOM 353 N SER A 21 22.092 -19.353 -9.309 1.00 12.33 N ATOM 354 CA SER A 21 23.336 -19.099 -10.026 1.00 0.14 C ATOM 355 C SER A 21 23.281 -17.758 -10.752 1.00 33.31 C ATOM 356 O SER A 21 22.211 -17.204 -11.005 1.00 12.14 O ATOM 357 CB SER A 21 23.611 -20.223 -11.026 1.00 42.02 C ATOM 358 OG SER A 21 24.338 -21.278 -10.421 1.00 35.44 O ATOM 0 H SER A 21 21.321 -19.665 -9.899 1.00 12.33 H new ATOM 0 HA SER A 21 24.146 -19.064 -9.298 1.00 0.14 H new ATOM 0 HB2 SER A 21 22.668 -20.605 -11.417 1.00 42.02 H new ATOM 0 HB3 SER A 21 24.172 -19.830 -11.874 1.00 42.02 H new ATOM 0 HG SER A 21 24.047 -21.384 -9.491 1.00 35.44 H new ATOM 364 N PRO A 22 24.462 -17.224 -11.096 1.00 53.32 N ATOM 365 CA PRO A 22 24.576 -15.942 -11.799 1.00 32.22 C ATOM 366 C PRO A 22 24.082 -16.025 -13.239 1.00 43.22 C ATOM 367 O PRO A 22 24.527 -16.874 -14.010 1.00 74.51 O ATOM 368 CB PRO A 22 26.078 -15.651 -11.764 1.00 62.20 C ATOM 369 CG PRO A 22 26.721 -16.990 -11.642 1.00 54.22 C ATOM 370 CD PRO A 22 25.777 -17.829 -10.827 1.00 35.52 C ATOM 0 HA PRO A 22 23.967 -15.166 -11.334 1.00 32.22 H new ATOM 0 HB2 PRO A 22 26.403 -15.137 -12.669 1.00 62.20 H new ATOM 0 HB3 PRO A 22 26.337 -15.009 -10.922 1.00 62.20 H new ATOM 0 HG2 PRO A 22 26.889 -17.433 -12.624 1.00 54.22 H new ATOM 0 HG3 PRO A 22 27.694 -16.913 -11.156 1.00 54.22 H new ATOM 0 HD2 PRO A 22 25.807 -18.876 -11.129 1.00 35.52 H new ATOM 0 HD3 PRO A 22 26.025 -17.796 -9.766 1.00 35.52 H new ATOM 378 N GLY A 23 23.161 -15.135 -13.596 1.00 74.53 N ATOM 379 CA GLY A 23 22.622 -15.125 -14.944 1.00 65.20 C ATOM 380 C GLY A 23 21.185 -15.605 -14.998 1.00 45.43 C ATOM 381 O GLY A 23 20.581 -15.653 -16.069 1.00 63.10 O ATOM 0 H GLY A 23 22.778 -14.421 -12.976 1.00 74.53 H new ATOM 0 HA2 GLY A 23 22.679 -14.114 -15.347 1.00 65.20 H new ATOM 0 HA3 GLY A 23 23.238 -15.758 -15.583 1.00 65.20 H new ATOM 385 N GLU A 24 20.638 -15.961 -13.840 1.00 60.05 N ATOM 386 CA GLU A 24 19.264 -16.442 -13.762 1.00 55.40 C ATOM 387 C GLU A 24 18.300 -15.291 -13.486 1.00 52.00 C ATOM 388 O GLU A 24 18.720 -14.174 -13.187 1.00 32.14 O ATOM 389 CB GLU A 24 19.133 -17.504 -12.669 1.00 32.21 C ATOM 390 CG GLU A 24 19.381 -18.919 -13.163 1.00 74.50 C ATOM 391 CD GLU A 24 18.138 -19.557 -13.754 1.00 21.13 C ATOM 392 OE1 GLU A 24 17.741 -19.161 -14.869 1.00 74.43 O ATOM 393 OE2 GLU A 24 17.563 -20.452 -13.100 1.00 23.45 O ATOM 0 H GLU A 24 21.125 -15.925 -12.944 1.00 60.05 H new ATOM 0 HA GLU A 24 19.007 -16.887 -14.723 1.00 55.40 H new ATOM 0 HB2 GLU A 24 19.838 -17.279 -11.869 1.00 32.21 H new ATOM 0 HB3 GLU A 24 18.133 -17.449 -12.238 1.00 32.21 H new ATOM 0 HG2 GLU A 24 20.170 -18.904 -13.915 1.00 74.50 H new ATOM 0 HG3 GLU A 24 19.741 -19.531 -12.336 1.00 74.50 H new ATOM 400 N ASN A 25 17.005 -15.573 -13.590 1.00 22.41 N ATOM 401 CA ASN A 25 15.981 -14.562 -13.353 1.00 21.51 C ATOM 402 C ASN A 25 15.121 -14.932 -12.148 1.00 54.04 C ATOM 403 O ASN A 25 14.620 -16.053 -12.050 1.00 30.14 O ATOM 404 CB ASN A 25 15.100 -14.399 -14.593 1.00 35.23 C ATOM 405 CG ASN A 25 15.904 -14.069 -15.835 1.00 3.52 C ATOM 406 OD1 ASN A 25 16.725 -14.867 -16.287 1.00 5.34 O ATOM 407 ND2 ASN A 25 15.672 -12.886 -16.393 1.00 74.30 N ATOM 0 H ASN A 25 16.640 -16.493 -13.837 1.00 22.41 H new ATOM 0 HA ASN A 25 16.480 -13.616 -13.144 1.00 21.51 H new ATOM 0 HB2 ASN A 25 14.539 -15.319 -14.760 1.00 35.23 H new ATOM 0 HB3 ASN A 25 14.370 -13.609 -14.415 1.00 35.23 H new ATOM 0 HD21 ASN A 25 16.184 -12.608 -17.230 1.00 74.30 H new ATOM 0 HD22 ASN A 25 14.982 -12.256 -15.984 1.00 74.30 H new ATOM 414 N LEU A 26 14.952 -13.982 -11.235 1.00 62.21 N ATOM 415 CA LEU A 26 14.151 -14.207 -10.037 1.00 4.45 C ATOM 416 C LEU A 26 13.057 -13.152 -9.907 1.00 42.33 C ATOM 417 O LEU A 26 13.256 -11.990 -10.264 1.00 34.34 O ATOM 418 CB LEU A 26 15.042 -14.189 -8.793 1.00 43.42 C ATOM 419 CG LEU A 26 16.217 -15.168 -8.795 1.00 13.21 C ATOM 420 CD1 LEU A 26 17.514 -14.445 -9.124 1.00 32.14 C ATOM 421 CD2 LEU A 26 16.324 -15.875 -7.452 1.00 14.35 C ATOM 0 H LEU A 26 15.359 -13.049 -11.301 1.00 62.21 H new ATOM 0 HA LEU A 26 13.678 -15.185 -10.125 1.00 4.45 H new ATOM 0 HB2 LEU A 26 15.436 -13.180 -8.667 1.00 43.42 H new ATOM 0 HB3 LEU A 26 14.421 -14.400 -7.923 1.00 43.42 H new ATOM 0 HG LEU A 26 16.038 -15.919 -9.565 1.00 13.21 H new ATOM 0 HD11 LEU A 26 18.339 -15.158 -9.121 1.00 32.14 H new ATOM 0 HD12 LEU A 26 17.435 -13.986 -10.110 1.00 32.14 H new ATOM 0 HD13 LEU A 26 17.699 -13.672 -8.378 1.00 32.14 H new ATOM 0 HD21 LEU A 26 17.165 -16.568 -7.472 1.00 14.35 H new ATOM 0 HD22 LEU A 26 16.479 -15.138 -6.664 1.00 14.35 H new ATOM 0 HD23 LEU A 26 15.404 -16.427 -7.257 1.00 14.35 H new ATOM 433 N SER A 27 11.903 -13.564 -9.393 1.00 53.14 N ATOM 434 CA SER A 27 10.776 -12.655 -9.218 1.00 41.23 C ATOM 435 C SER A 27 10.720 -12.129 -7.787 1.00 52.23 C ATOM 436 O SER A 27 10.460 -12.881 -6.848 1.00 21.23 O ATOM 437 CB SER A 27 9.464 -13.362 -9.566 1.00 5.52 C ATOM 438 OG SER A 27 8.745 -12.645 -10.554 1.00 42.51 O ATOM 0 H SER A 27 11.724 -14.521 -9.090 1.00 53.14 H new ATOM 0 HA SER A 27 10.914 -11.810 -9.892 1.00 41.23 H new ATOM 0 HB2 SER A 27 9.674 -14.370 -9.924 1.00 5.52 H new ATOM 0 HB3 SER A 27 8.853 -13.464 -8.669 1.00 5.52 H new ATOM 0 HG SER A 27 9.337 -12.445 -11.309 1.00 42.51 H new ATOM 444 N ILE A 28 10.965 -10.832 -7.630 1.00 61.42 N ATOM 445 CA ILE A 28 10.942 -10.205 -6.315 1.00 14.12 C ATOM 446 C ILE A 28 9.511 -9.935 -5.860 1.00 43.42 C ATOM 447 O ILE A 28 8.657 -9.552 -6.660 1.00 74.23 O ATOM 448 CB ILE A 28 11.729 -8.881 -6.308 1.00 62.52 C ATOM 449 CG1 ILE A 28 13.229 -9.155 -6.438 1.00 1.32 C ATOM 450 CG2 ILE A 28 11.436 -8.097 -5.038 1.00 50.11 C ATOM 451 CD1 ILE A 28 14.071 -7.898 -6.482 1.00 35.42 C ATOM 0 H ILE A 28 11.182 -10.196 -8.397 1.00 61.42 H new ATOM 0 HA ILE A 28 11.415 -10.903 -5.624 1.00 14.12 H new ATOM 0 HB ILE A 28 11.412 -8.282 -7.162 1.00 62.52 H new ATOM 0 HG12 ILE A 28 13.552 -9.770 -5.598 1.00 1.32 H new ATOM 0 HG13 ILE A 28 13.407 -9.734 -7.344 1.00 1.32 H new ATOM 0 HG21 ILE A 28 12.000 -7.164 -5.048 1.00 50.11 H new ATOM 0 HG22 ILE A 28 10.370 -7.876 -4.984 1.00 50.11 H new ATOM 0 HG23 ILE A 28 11.728 -8.688 -4.170 1.00 50.11 H new ATOM 0 HD11 ILE A 28 15.123 -8.168 -6.575 1.00 35.42 H new ATOM 0 HD12 ILE A 28 13.775 -7.292 -7.338 1.00 35.42 H new ATOM 0 HD13 ILE A 28 13.922 -7.328 -5.565 1.00 35.42 H new ATOM 463 N CYS A 29 9.259 -10.134 -4.571 1.00 55.15 N ATOM 464 CA CYS A 29 7.931 -9.911 -4.009 1.00 43.42 C ATOM 465 C CYS A 29 7.972 -8.835 -2.929 1.00 44.51 C ATOM 466 O CYS A 29 7.165 -7.906 -2.933 1.00 52.01 O ATOM 467 CB CYS A 29 7.375 -11.212 -3.429 1.00 51.31 C ATOM 468 SG CYS A 29 7.382 -12.599 -4.588 1.00 73.24 S ATOM 0 H CYS A 29 9.956 -10.449 -3.896 1.00 55.15 H new ATOM 0 HA CYS A 29 7.276 -9.571 -4.811 1.00 43.42 H new ATOM 0 HB2 CYS A 29 7.959 -11.484 -2.550 1.00 51.31 H new ATOM 0 HB3 CYS A 29 6.353 -11.039 -3.092 1.00 51.31 H new ATOM 0 HG CYS A 29 6.896 -13.654 -4.005 1.00 73.24 H new ATOM 474 N ALA A 30 8.918 -8.967 -2.004 1.00 74.54 N ATOM 475 CA ALA A 30 9.064 -8.007 -0.918 1.00 42.42 C ATOM 476 C ALA A 30 10.529 -7.833 -0.533 1.00 4.11 C ATOM 477 O ALA A 30 11.400 -8.555 -1.020 1.00 33.42 O ATOM 478 CB ALA A 30 8.248 -8.445 0.288 1.00 33.43 C ATOM 0 H ALA A 30 9.595 -9.730 -1.986 1.00 74.54 H new ATOM 0 HA ALA A 30 8.689 -7.044 -1.265 1.00 42.42 H new ATOM 0 HB1 ALA A 30 8.367 -7.718 1.091 1.00 33.43 H new ATOM 0 HB2 ALA A 30 7.196 -8.511 0.011 1.00 33.43 H new ATOM 0 HB3 ALA A 30 8.595 -9.421 0.627 1.00 33.43 H new ATOM 484 N HIS A 31 10.796 -6.870 0.344 1.00 51.24 N ATOM 485 CA HIS A 31 12.157 -6.601 0.794 1.00 31.21 C ATOM 486 C HIS A 31 12.231 -6.583 2.318 1.00 41.21 C ATOM 487 O HIS A 31 11.220 -6.748 3.001 1.00 52.44 O ATOM 488 CB HIS A 31 12.649 -5.267 0.232 1.00 70.32 C ATOM 489 CG HIS A 31 12.041 -4.074 0.902 1.00 54.12 C ATOM 490 ND1 HIS A 31 12.788 -3.027 1.399 1.00 62.23 N ATOM 491 CD2 HIS A 31 10.747 -3.764 1.154 1.00 5.23 C ATOM 492 CE1 HIS A 31 11.981 -2.126 1.929 1.00 5.25 C ATOM 493 NE2 HIS A 31 10.738 -2.549 1.794 1.00 55.43 N ATOM 0 H HIS A 31 10.088 -6.263 0.757 1.00 51.24 H new ATOM 0 HA HIS A 31 12.800 -7.400 0.426 1.00 31.21 H new ATOM 0 HB2 HIS A 31 13.733 -5.217 0.334 1.00 70.32 H new ATOM 0 HB3 HIS A 31 12.427 -5.227 -0.834 1.00 70.32 H new ATOM 0 HD2 HIS A 31 9.884 -4.361 0.899 1.00 5.23 H new ATOM 0 HE1 HIS A 31 12.286 -1.200 2.394 1.00 5.25 H new ATOM 0 HE2 HIS A 31 9.906 -2.054 2.113 1.00 55.43 H new ATOM 501 N TYR A 32 13.434 -6.382 2.844 1.00 21.23 N ATOM 502 CA TYR A 32 13.641 -6.346 4.287 1.00 14.42 C ATOM 503 C TYR A 32 14.610 -5.232 4.671 1.00 41.23 C ATOM 504 O TYR A 32 15.826 -5.386 4.557 1.00 43.41 O ATOM 505 CB TYR A 32 14.172 -7.692 4.782 1.00 72.12 C ATOM 506 CG TYR A 32 14.106 -7.854 6.284 1.00 71.34 C ATOM 507 CD1 TYR A 32 12.892 -8.062 6.927 1.00 25.33 C ATOM 508 CD2 TYR A 32 15.258 -7.800 7.059 1.00 71.42 C ATOM 509 CE1 TYR A 32 12.828 -8.210 8.299 1.00 32.23 C ATOM 510 CE2 TYR A 32 15.203 -7.949 8.431 1.00 11.32 C ATOM 511 CZ TYR A 32 13.986 -8.153 9.047 1.00 54.12 C ATOM 512 OH TYR A 32 13.926 -8.301 10.414 1.00 75.15 O ATOM 0 H TYR A 32 14.281 -6.241 2.293 1.00 21.23 H new ATOM 0 HA TYR A 32 12.680 -6.146 4.761 1.00 14.42 H new ATOM 0 HB2 TYR A 32 13.601 -8.493 4.313 1.00 72.12 H new ATOM 0 HB3 TYR A 32 15.206 -7.806 4.458 1.00 72.12 H new ATOM 0 HD1 TYR A 32 11.984 -8.109 6.345 1.00 25.33 H new ATOM 0 HD2 TYR A 32 16.213 -7.639 6.580 1.00 71.42 H new ATOM 0 HE1 TYR A 32 11.876 -8.370 8.784 1.00 32.23 H new ATOM 0 HE2 TYR A 32 16.108 -7.906 9.018 1.00 11.32 H new ATOM 0 HH TYR A 32 14.829 -8.236 10.790 1.00 75.15 H new ATOM 522 N ASP A 33 14.062 -4.111 5.126 1.00 2.41 N ATOM 523 CA ASP A 33 14.877 -2.970 5.529 1.00 60.21 C ATOM 524 C ASP A 33 15.823 -2.555 4.406 1.00 11.34 C ATOM 525 O ASP A 33 16.883 -1.981 4.655 1.00 5.11 O ATOM 526 CB ASP A 33 15.677 -3.307 6.788 1.00 30.12 C ATOM 527 CG ASP A 33 16.353 -2.090 7.387 1.00 4.23 C ATOM 528 OD1 ASP A 33 15.637 -1.140 7.769 1.00 22.30 O ATOM 529 OD2 ASP A 33 17.599 -2.087 7.475 1.00 11.23 O ATOM 0 H ASP A 33 13.057 -3.967 5.225 1.00 2.41 H new ATOM 0 HA ASP A 33 14.209 -2.136 5.745 1.00 60.21 H new ATOM 0 HB2 ASP A 33 15.013 -3.752 7.529 1.00 30.12 H new ATOM 0 HB3 ASP A 33 16.431 -4.056 6.546 1.00 30.12 H new ATOM 534 N TYR A 34 15.432 -2.849 3.171 1.00 2.14 N ATOM 535 CA TYR A 34 16.247 -2.509 2.011 1.00 73.22 C ATOM 536 C TYR A 34 17.582 -3.246 2.048 1.00 42.11 C ATOM 537 O TYR A 34 18.569 -2.792 1.471 1.00 45.13 O ATOM 538 CB TYR A 34 16.486 -0.999 1.954 1.00 71.54 C ATOM 539 CG TYR A 34 15.219 -0.181 2.063 1.00 22.24 C ATOM 540 CD1 TYR A 34 14.699 0.167 3.304 1.00 52.04 C ATOM 541 CD2 TYR A 34 14.543 0.245 0.926 1.00 24.34 C ATOM 542 CE1 TYR A 34 13.541 0.914 3.408 1.00 24.24 C ATOM 543 CE2 TYR A 34 13.386 0.993 1.022 1.00 41.23 C ATOM 544 CZ TYR A 34 12.889 1.325 2.265 1.00 71.32 C ATOM 545 OH TYR A 34 11.736 2.070 2.365 1.00 64.00 O ATOM 0 H TYR A 34 14.556 -3.322 2.948 1.00 2.14 H new ATOM 0 HA TYR A 34 15.707 -2.818 1.116 1.00 73.22 H new ATOM 0 HB2 TYR A 34 17.162 -0.716 2.761 1.00 71.54 H new ATOM 0 HB3 TYR A 34 16.987 -0.754 1.018 1.00 71.54 H new ATOM 0 HD1 TYR A 34 15.208 -0.152 4.202 1.00 52.04 H new ATOM 0 HD2 TYR A 34 14.929 -0.013 -0.049 1.00 24.34 H new ATOM 0 HE1 TYR A 34 13.149 1.175 4.380 1.00 24.24 H new ATOM 0 HE2 TYR A 34 12.873 1.316 0.128 1.00 41.23 H new ATOM 0 HH TYR A 34 11.403 2.279 1.467 1.00 64.00 H new ATOM 555 N GLU A 35 17.603 -4.386 2.731 1.00 32.21 N ATOM 556 CA GLU A 35 18.817 -5.186 2.844 1.00 35.41 C ATOM 557 C GLU A 35 18.653 -6.526 2.132 1.00 30.34 C ATOM 558 O GLU A 35 19.499 -6.923 1.331 1.00 5.15 O ATOM 559 CB GLU A 35 19.167 -5.417 4.316 1.00 74.44 C ATOM 560 CG GLU A 35 18.902 -4.211 5.201 1.00 62.12 C ATOM 561 CD GLU A 35 19.686 -2.987 4.768 1.00 31.13 C ATOM 562 OE1 GLU A 35 20.584 -3.130 3.912 1.00 74.41 O ATOM 563 OE2 GLU A 35 19.402 -1.887 5.286 1.00 41.22 O ATOM 0 H GLU A 35 16.794 -4.776 3.214 1.00 32.21 H new ATOM 0 HA GLU A 35 19.629 -4.638 2.367 1.00 35.41 H new ATOM 0 HB2 GLU A 35 18.591 -6.264 4.689 1.00 74.44 H new ATOM 0 HB3 GLU A 35 20.220 -5.689 4.392 1.00 74.44 H new ATOM 0 HG2 GLU A 35 17.837 -3.980 5.185 1.00 62.12 H new ATOM 0 HG3 GLU A 35 19.159 -4.457 6.231 1.00 62.12 H new ATOM 570 N TRP A 36 17.560 -7.218 2.431 1.00 34.23 N ATOM 571 CA TRP A 36 17.285 -8.514 1.821 1.00 73.11 C ATOM 572 C TRP A 36 16.089 -8.429 0.879 1.00 70.52 C ATOM 573 O TRP A 36 15.130 -7.704 1.141 1.00 14.13 O ATOM 574 CB TRP A 36 17.025 -9.565 2.901 1.00 30.05 C ATOM 575 CG TRP A 36 18.146 -9.692 3.889 1.00 53.44 C ATOM 576 CD1 TRP A 36 18.338 -8.937 5.011 1.00 65.52 C ATOM 577 CD2 TRP A 36 19.228 -10.627 3.840 1.00 25.05 C ATOM 578 NE1 TRP A 36 19.476 -9.348 5.663 1.00 1.22 N ATOM 579 CE2 TRP A 36 20.040 -10.383 4.966 1.00 72.40 C ATOM 580 CE3 TRP A 36 19.591 -11.648 2.958 1.00 54.14 C ATOM 581 CZ2 TRP A 36 21.190 -11.123 5.228 1.00 32.14 C ATOM 582 CZ3 TRP A 36 20.732 -12.381 3.219 1.00 4.12 C ATOM 583 CH2 TRP A 36 21.521 -12.116 4.347 1.00 34.42 C ATOM 0 H TRP A 36 16.850 -6.904 3.092 1.00 34.23 H new ATOM 0 HA TRP A 36 18.160 -8.808 1.242 1.00 73.11 H new ATOM 0 HB2 TRP A 36 16.109 -9.310 3.433 1.00 30.05 H new ATOM 0 HB3 TRP A 36 16.859 -10.531 2.425 1.00 30.05 H new ATOM 0 HD1 TRP A 36 17.691 -8.136 5.337 1.00 65.52 H new ATOM 0 HE1 TRP A 36 19.841 -8.947 6.527 1.00 1.22 H new ATOM 0 HE3 TRP A 36 18.989 -11.860 2.087 1.00 54.14 H new ATOM 0 HZ2 TRP A 36 21.799 -10.920 6.096 1.00 32.14 H new ATOM 0 HZ3 TRP A 36 21.021 -13.172 2.543 1.00 4.12 H new ATOM 0 HH2 TRP A 36 22.407 -12.707 4.524 1.00 34.42 H new ATOM 594 N PHE A 37 16.152 -9.175 -0.219 1.00 62.42 N ATOM 595 CA PHE A 37 15.074 -9.184 -1.201 1.00 40.40 C ATOM 596 C PHE A 37 14.490 -10.585 -1.356 1.00 43.11 C ATOM 597 O PHE A 37 15.226 -11.565 -1.479 1.00 12.10 O ATOM 598 CB PHE A 37 15.583 -8.678 -2.553 1.00 33.33 C ATOM 599 CG PHE A 37 15.077 -7.310 -2.910 1.00 4.32 C ATOM 600 CD1 PHE A 37 13.721 -7.027 -2.877 1.00 23.12 C ATOM 601 CD2 PHE A 37 15.958 -6.306 -3.278 1.00 4.31 C ATOM 602 CE1 PHE A 37 13.254 -5.769 -3.206 1.00 12.23 C ATOM 603 CE2 PHE A 37 15.497 -5.045 -3.608 1.00 33.25 C ATOM 604 CZ PHE A 37 14.143 -4.776 -3.570 1.00 74.33 C ATOM 0 H PHE A 37 16.939 -9.781 -0.451 1.00 62.42 H new ATOM 0 HA PHE A 37 14.287 -8.520 -0.845 1.00 40.40 H new ATOM 0 HB2 PHE A 37 16.673 -8.661 -2.539 1.00 33.33 H new ATOM 0 HB3 PHE A 37 15.285 -9.381 -3.331 1.00 33.33 H new ATOM 0 HD1 PHE A 37 13.021 -7.798 -2.591 1.00 23.12 H new ATOM 0 HD2 PHE A 37 17.018 -6.511 -3.307 1.00 4.31 H new ATOM 0 HE1 PHE A 37 12.194 -5.562 -3.179 1.00 12.23 H new ATOM 0 HE2 PHE A 37 16.194 -4.272 -3.895 1.00 33.25 H new ATOM 0 HZ PHE A 37 13.780 -3.791 -3.824 1.00 74.33 H new ATOM 614 N ILE A 38 13.164 -10.671 -1.349 1.00 24.01 N ATOM 615 CA ILE A 38 12.482 -11.951 -1.489 1.00 72.31 C ATOM 616 C ILE A 38 12.233 -12.284 -2.956 1.00 43.24 C ATOM 617 O ILE A 38 11.242 -11.850 -3.543 1.00 2.45 O ATOM 618 CB ILE A 38 11.137 -11.958 -0.738 1.00 43.40 C ATOM 619 CG1 ILE A 38 11.321 -11.429 0.686 1.00 23.10 C ATOM 620 CG2 ILE A 38 10.549 -13.361 -0.716 1.00 44.33 C ATOM 621 CD1 ILE A 38 12.336 -12.208 1.493 1.00 21.02 C ATOM 0 H ILE A 38 12.541 -9.870 -1.248 1.00 24.01 H new ATOM 0 HA ILE A 38 13.136 -12.706 -1.053 1.00 72.31 H new ATOM 0 HB ILE A 38 10.442 -11.303 -1.262 1.00 43.40 H new ATOM 0 HG12 ILE A 38 11.630 -10.385 0.640 1.00 23.10 H new ATOM 0 HG13 ILE A 38 10.361 -11.455 1.202 1.00 23.10 H new ATOM 0 HG21 ILE A 38 9.599 -13.349 -0.182 1.00 44.33 H new ATOM 0 HG22 ILE A 38 10.386 -13.703 -1.738 1.00 44.33 H new ATOM 0 HG23 ILE A 38 11.240 -14.037 -0.212 1.00 44.33 H new ATOM 0 HD11 ILE A 38 12.415 -11.778 2.491 1.00 21.02 H new ATOM 0 HD12 ILE A 38 12.019 -13.248 1.570 1.00 21.02 H new ATOM 0 HD13 ILE A 38 13.307 -12.160 1.000 1.00 21.02 H new ATOM 633 N ALA A 39 13.139 -13.059 -3.544 1.00 5.44 N ATOM 634 CA ALA A 39 13.017 -13.453 -4.941 1.00 73.24 C ATOM 635 C ALA A 39 12.710 -14.942 -5.067 1.00 12.42 C ATOM 636 O ALA A 39 13.220 -15.758 -4.299 1.00 75.33 O ATOM 637 CB ALA A 39 14.290 -13.109 -5.701 1.00 34.03 C ATOM 0 H ALA A 39 13.966 -13.426 -3.073 1.00 5.44 H new ATOM 0 HA ALA A 39 12.186 -12.899 -5.377 1.00 73.24 H new ATOM 0 HB1 ALA A 39 14.184 -13.409 -6.743 1.00 34.03 H new ATOM 0 HB2 ALA A 39 14.466 -12.035 -5.649 1.00 34.03 H new ATOM 0 HB3 ALA A 39 15.133 -13.636 -5.256 1.00 34.03 H new ATOM 643 N LYS A 40 11.873 -15.288 -6.039 1.00 32.53 N ATOM 644 CA LYS A 40 11.497 -16.679 -6.266 1.00 4.11 C ATOM 645 C LYS A 40 12.014 -17.169 -7.615 1.00 4.32 C ATOM 646 O LYS A 40 12.217 -16.392 -8.548 1.00 50.22 O ATOM 647 CB LYS A 40 9.976 -16.835 -6.204 1.00 3.24 C ATOM 648 CG LYS A 40 9.260 -16.306 -7.434 1.00 72.01 C ATOM 649 CD LYS A 40 8.899 -17.427 -8.394 1.00 33.31 C ATOM 650 CE LYS A 40 7.536 -18.021 -8.070 1.00 25.33 C ATOM 651 NZ LYS A 40 6.430 -17.072 -8.375 1.00 65.24 N ATOM 0 H LYS A 40 11.442 -14.624 -6.683 1.00 32.53 H new ATOM 0 HA LYS A 40 11.950 -17.284 -5.481 1.00 4.11 H new ATOM 0 HB2 LYS A 40 9.732 -17.890 -6.078 1.00 3.24 H new ATOM 0 HB3 LYS A 40 9.601 -16.313 -5.323 1.00 3.24 H new ATOM 0 HG2 LYS A 40 8.355 -15.780 -7.131 1.00 72.01 H new ATOM 0 HG3 LYS A 40 9.895 -15.581 -7.942 1.00 72.01 H new ATOM 0 HD2 LYS A 40 8.898 -17.047 -9.415 1.00 33.31 H new ATOM 0 HD3 LYS A 40 9.658 -18.208 -8.346 1.00 33.31 H new ATOM 0 HE2 LYS A 40 7.395 -18.939 -8.641 1.00 25.33 H new ATOM 0 HE3 LYS A 40 7.500 -18.293 -7.015 1.00 25.33 H new ATOM 0 HZ1 LYS A 40 5.544 -17.601 -8.503 1.00 65.24 H new ATOM 0 HZ2 LYS A 40 6.321 -16.401 -7.588 1.00 65.24 H new ATOM 0 HZ3 LYS A 40 6.651 -16.550 -9.247 1.00 65.24 H new ATOM 665 N PRO A 41 12.232 -18.488 -7.723 1.00 2.25 N ATOM 666 CA PRO A 41 12.726 -19.110 -8.954 1.00 63.52 C ATOM 667 C PRO A 41 11.688 -19.092 -10.070 1.00 55.44 C ATOM 668 O PRO A 41 10.718 -19.851 -10.042 1.00 4.32 O ATOM 669 CB PRO A 41 13.027 -20.550 -8.528 1.00 42.41 C ATOM 670 CG PRO A 41 12.135 -20.793 -7.360 1.00 23.10 C ATOM 671 CD PRO A 41 12.012 -19.473 -6.650 1.00 64.05 C ATOM 0 HA PRO A 41 13.589 -18.581 -9.359 1.00 63.52 H new ATOM 0 HB2 PRO A 41 12.822 -21.253 -9.336 1.00 42.41 H new ATOM 0 HB3 PRO A 41 14.076 -20.672 -8.257 1.00 42.41 H new ATOM 0 HG2 PRO A 41 11.159 -21.154 -7.683 1.00 23.10 H new ATOM 0 HG3 PRO A 41 12.554 -21.553 -6.701 1.00 23.10 H new ATOM 0 HD2 PRO A 41 11.031 -19.354 -6.190 1.00 64.05 H new ATOM 0 HD3 PRO A 41 12.751 -19.374 -5.855 1.00 64.05 H new ATOM 679 N ILE A 42 11.896 -18.221 -11.052 1.00 3.41 N ATOM 680 CA ILE A 42 10.978 -18.105 -12.178 1.00 61.00 C ATOM 681 C ILE A 42 11.030 -19.348 -13.059 1.00 71.34 C ATOM 682 O ILE A 42 10.011 -19.789 -13.589 1.00 14.20 O ATOM 683 CB ILE A 42 11.294 -16.867 -13.037 1.00 45.25 C ATOM 684 CG1 ILE A 42 11.216 -15.596 -12.189 1.00 34.13 C ATOM 685 CG2 ILE A 42 10.338 -16.782 -14.217 1.00 73.43 C ATOM 686 CD1 ILE A 42 11.570 -14.338 -12.950 1.00 53.01 C ATOM 0 H ILE A 42 12.693 -17.585 -11.090 1.00 3.41 H new ATOM 0 HA ILE A 42 9.977 -18.000 -11.760 1.00 61.00 H new ATOM 0 HB ILE A 42 12.309 -16.962 -13.423 1.00 45.25 H new ATOM 0 HG12 ILE A 42 10.207 -15.497 -11.790 1.00 34.13 H new ATOM 0 HG13 ILE A 42 11.888 -15.696 -11.337 1.00 34.13 H new ATOM 0 HG21 ILE A 42 10.575 -15.901 -14.814 1.00 73.43 H new ATOM 0 HG22 ILE A 42 10.439 -17.676 -14.832 1.00 73.43 H new ATOM 0 HG23 ILE A 42 9.314 -16.708 -13.851 1.00 73.43 H new ATOM 0 HD11 ILE A 42 11.493 -13.477 -12.286 1.00 53.01 H new ATOM 0 HD12 ILE A 42 12.590 -14.416 -13.327 1.00 53.01 H new ATOM 0 HD13 ILE A 42 10.883 -14.213 -13.787 1.00 53.01 H new ATOM 769 N PRO A 47 9.733 -20.168 -3.142 1.00 65.55 N ATOM 770 CA PRO A 47 10.388 -18.885 -2.872 1.00 24.21 C ATOM 771 C PRO A 47 11.406 -18.981 -1.740 1.00 14.11 C ATOM 772 O PRO A 47 11.212 -19.724 -0.779 1.00 74.31 O ATOM 773 CB PRO A 47 9.227 -17.972 -2.471 1.00 42.25 C ATOM 774 CG PRO A 47 8.182 -18.895 -1.948 1.00 20.32 C ATOM 775 CD PRO A 47 8.317 -20.166 -2.741 1.00 13.40 C ATOM 0 HA PRO A 47 10.953 -18.526 -3.732 1.00 24.21 H new ATOM 0 HB2 PRO A 47 9.534 -17.251 -1.713 1.00 42.25 H new ATOM 0 HB3 PRO A 47 8.860 -17.401 -3.324 1.00 42.25 H new ATOM 0 HG2 PRO A 47 8.324 -19.082 -0.884 1.00 20.32 H new ATOM 0 HG3 PRO A 47 7.187 -18.465 -2.066 1.00 20.32 H new ATOM 0 HD2 PRO A 47 8.068 -21.042 -2.142 1.00 13.40 H new ATOM 0 HD3 PRO A 47 7.654 -20.172 -3.606 1.00 13.40 H new ATOM 783 N GLY A 48 12.491 -18.223 -1.860 1.00 43.51 N ATOM 784 CA GLY A 48 13.523 -18.237 -0.839 1.00 53.34 C ATOM 785 C GLY A 48 13.870 -16.846 -0.347 1.00 3.10 C ATOM 786 O GLY A 48 12.985 -16.021 -0.117 1.00 32.23 O ATOM 0 H GLY A 48 12.674 -17.599 -2.646 1.00 43.51 H new ATOM 0 HA2 GLY A 48 13.189 -18.844 0.003 1.00 53.34 H new ATOM 0 HA3 GLY A 48 14.419 -18.712 -1.239 1.00 53.34 H new ATOM 790 N LEU A 49 15.162 -16.584 -0.183 1.00 43.12 N ATOM 791 CA LEU A 49 15.625 -15.283 0.287 1.00 5.11 C ATOM 792 C LEU A 49 17.001 -14.955 -0.286 1.00 15.22 C ATOM 793 O LEU A 49 17.944 -15.734 -0.149 1.00 11.33 O ATOM 794 CB LEU A 49 15.679 -15.261 1.816 1.00 53.43 C ATOM 795 CG LEU A 49 15.443 -13.902 2.476 1.00 54.43 C ATOM 796 CD1 LEU A 49 14.771 -14.075 3.829 1.00 53.00 C ATOM 797 CD2 LEU A 49 16.755 -13.145 2.623 1.00 54.13 C ATOM 0 H LEU A 49 15.907 -17.255 -0.368 1.00 43.12 H new ATOM 0 HA LEU A 49 14.919 -14.527 -0.057 1.00 5.11 H new ATOM 0 HB2 LEU A 49 14.935 -15.961 2.196 1.00 53.43 H new ATOM 0 HB3 LEU A 49 16.655 -15.631 2.131 1.00 53.43 H new ATOM 0 HG LEU A 49 14.780 -13.319 1.836 1.00 54.43 H new ATOM 0 HD11 LEU A 49 14.611 -13.097 4.284 1.00 53.00 H new ATOM 0 HD12 LEU A 49 13.812 -14.575 3.697 1.00 53.00 H new ATOM 0 HD13 LEU A 49 15.408 -14.677 4.477 1.00 53.00 H new ATOM 0 HD21 LEU A 49 16.568 -12.180 3.095 1.00 54.13 H new ATOM 0 HD22 LEU A 49 17.442 -13.724 3.241 1.00 54.13 H new ATOM 0 HD23 LEU A 49 17.197 -12.988 1.639 1.00 54.13 H new ATOM 809 N VAL A 50 17.108 -13.795 -0.927 1.00 35.13 N ATOM 810 CA VAL A 50 18.368 -13.362 -1.518 1.00 10.34 C ATOM 811 C VAL A 50 18.632 -11.888 -1.229 1.00 62.23 C ATOM 812 O VAL A 50 17.763 -11.032 -1.395 1.00 21.02 O ATOM 813 CB VAL A 50 18.380 -13.585 -3.042 1.00 33.45 C ATOM 814 CG1 VAL A 50 17.294 -12.757 -3.711 1.00 42.24 C ATOM 815 CG2 VAL A 50 19.748 -13.253 -3.618 1.00 33.02 C ATOM 0 H VAL A 50 16.337 -13.139 -1.050 1.00 35.13 H new ATOM 0 HA VAL A 50 19.154 -13.965 -1.064 1.00 10.34 H new ATOM 0 HB VAL A 50 18.174 -14.637 -3.240 1.00 33.45 H new ATOM 0 HG11 VAL A 50 17.318 -12.927 -4.787 1.00 42.24 H new ATOM 0 HG12 VAL A 50 16.320 -13.049 -3.319 1.00 42.24 H new ATOM 0 HG13 VAL A 50 17.465 -11.700 -3.507 1.00 42.24 H new ATOM 0 HG21 VAL A 50 19.738 -13.416 -4.696 1.00 33.02 H new ATOM 0 HG22 VAL A 50 19.986 -12.210 -3.411 1.00 33.02 H new ATOM 0 HG23 VAL A 50 20.501 -13.895 -3.161 1.00 33.02 H new ATOM 825 N PRO A 51 19.861 -11.583 -0.788 1.00 3.15 N ATOM 826 CA PRO A 51 20.270 -10.212 -0.467 1.00 54.15 C ATOM 827 C PRO A 51 20.393 -9.339 -1.711 1.00 43.44 C ATOM 828 O PRO A 51 20.680 -9.832 -2.802 1.00 52.44 O ATOM 829 CB PRO A 51 21.637 -10.395 0.196 1.00 41.43 C ATOM 830 CG PRO A 51 22.153 -11.681 -0.349 1.00 64.43 C ATOM 831 CD PRO A 51 20.947 -12.553 -0.567 1.00 3.41 C ATOM 0 HA PRO A 51 19.540 -9.706 0.165 1.00 54.15 H new ATOM 0 HB2 PRO A 51 22.306 -9.568 -0.041 1.00 41.43 H new ATOM 0 HB3 PRO A 51 21.549 -10.432 1.282 1.00 41.43 H new ATOM 0 HG2 PRO A 51 22.692 -11.521 -1.283 1.00 64.43 H new ATOM 0 HG3 PRO A 51 22.851 -12.147 0.346 1.00 64.43 H new ATOM 0 HD2 PRO A 51 21.078 -13.213 -1.425 1.00 3.41 H new ATOM 0 HD3 PRO A 51 20.749 -13.188 0.296 1.00 3.41 H new ATOM 839 N VAL A 52 20.176 -8.038 -1.540 1.00 72.41 N ATOM 840 CA VAL A 52 20.265 -7.096 -2.649 1.00 15.10 C ATOM 841 C VAL A 52 21.676 -7.054 -3.223 1.00 3.33 C ATOM 842 O VAL A 52 21.880 -6.655 -4.369 1.00 52.04 O ATOM 843 CB VAL A 52 19.857 -5.676 -2.213 1.00 31.03 C ATOM 844 CG1 VAL A 52 19.698 -4.770 -3.424 1.00 42.01 C ATOM 845 CG2 VAL A 52 18.574 -5.718 -1.396 1.00 41.21 C ATOM 0 H VAL A 52 19.937 -7.613 -0.644 1.00 72.41 H new ATOM 0 HA VAL A 52 19.574 -7.445 -3.417 1.00 15.10 H new ATOM 0 HB VAL A 52 20.648 -5.266 -1.585 1.00 31.03 H new ATOM 0 HG11 VAL A 52 19.410 -3.771 -3.096 1.00 42.01 H new ATOM 0 HG12 VAL A 52 20.643 -4.716 -3.964 1.00 42.01 H new ATOM 0 HG13 VAL A 52 18.927 -5.173 -4.081 1.00 42.01 H new ATOM 0 HG21 VAL A 52 18.300 -4.706 -1.096 1.00 41.21 H new ATOM 0 HG22 VAL A 52 17.773 -6.147 -1.998 1.00 41.21 H new ATOM 0 HG23 VAL A 52 18.728 -6.330 -0.508 1.00 41.21 H new ATOM 855 N SER A 53 22.649 -7.468 -2.417 1.00 61.34 N ATOM 856 CA SER A 53 24.044 -7.475 -2.844 1.00 14.04 C ATOM 857 C SER A 53 24.332 -8.675 -3.741 1.00 55.54 C ATOM 858 O SER A 53 25.444 -8.836 -4.243 1.00 42.54 O ATOM 859 CB SER A 53 24.971 -7.500 -1.627 1.00 33.11 C ATOM 860 OG SER A 53 25.149 -6.199 -1.095 1.00 0.13 O ATOM 0 H SER A 53 22.497 -7.803 -1.465 1.00 61.34 H new ATOM 0 HA SER A 53 24.228 -6.565 -3.414 1.00 14.04 H new ATOM 0 HB2 SER A 53 24.554 -8.155 -0.862 1.00 33.11 H new ATOM 0 HB3 SER A 53 25.938 -7.916 -1.911 1.00 33.11 H new ATOM 0 HG SER A 53 25.520 -6.263 -0.190 1.00 0.13 H new ATOM 866 N TYR A 54 23.321 -9.514 -3.939 1.00 12.43 N ATOM 867 CA TYR A 54 23.465 -10.700 -4.774 1.00 35.35 C ATOM 868 C TYR A 54 22.408 -10.723 -5.874 1.00 63.31 C ATOM 869 O TYR A 54 22.146 -11.764 -6.478 1.00 44.30 O ATOM 870 CB TYR A 54 23.356 -11.966 -3.921 1.00 3.42 C ATOM 871 CG TYR A 54 24.606 -12.268 -3.125 1.00 72.20 C ATOM 872 CD1 TYR A 54 25.081 -11.374 -2.173 1.00 71.44 C ATOM 873 CD2 TYR A 54 25.311 -13.449 -3.324 1.00 52.03 C ATOM 874 CE1 TYR A 54 26.222 -11.647 -1.445 1.00 5.42 C ATOM 875 CE2 TYR A 54 26.453 -13.730 -2.599 1.00 74.22 C ATOM 876 CZ TYR A 54 26.905 -12.826 -1.661 1.00 54.20 C ATOM 877 OH TYR A 54 28.041 -13.101 -0.936 1.00 64.32 O ATOM 0 H TYR A 54 22.393 -9.394 -3.533 1.00 12.43 H new ATOM 0 HA TYR A 54 24.449 -10.667 -5.241 1.00 35.35 H new ATOM 0 HB2 TYR A 54 22.515 -11.861 -3.235 1.00 3.42 H new ATOM 0 HB3 TYR A 54 23.135 -12.813 -4.570 1.00 3.42 H new ATOM 0 HD1 TYR A 54 24.549 -10.450 -2.000 1.00 71.44 H new ATOM 0 HD2 TYR A 54 24.960 -14.159 -4.058 1.00 52.03 H new ATOM 0 HE1 TYR A 54 26.578 -10.941 -0.710 1.00 5.42 H new ATOM 0 HE2 TYR A 54 26.989 -14.653 -2.766 1.00 74.22 H new ATOM 0 HH TYR A 54 28.400 -13.971 -1.209 1.00 64.32 H new ATOM 887 N VAL A 55 21.804 -9.567 -6.130 1.00 64.10 N ATOM 888 CA VAL A 55 20.778 -9.452 -7.159 1.00 34.03 C ATOM 889 C VAL A 55 20.709 -8.032 -7.710 1.00 72.42 C ATOM 890 O VAL A 55 21.053 -7.071 -7.022 1.00 73.14 O ATOM 891 CB VAL A 55 19.392 -9.848 -6.615 1.00 52.42 C ATOM 892 CG1 VAL A 55 19.288 -11.358 -6.467 1.00 15.24 C ATOM 893 CG2 VAL A 55 19.122 -9.153 -5.289 1.00 21.21 C ATOM 0 H VAL A 55 22.008 -8.697 -5.639 1.00 64.10 H new ATOM 0 HA VAL A 55 21.055 -10.136 -7.961 1.00 34.03 H new ATOM 0 HB VAL A 55 18.634 -9.525 -7.329 1.00 52.42 H new ATOM 0 HG11 VAL A 55 18.302 -11.619 -6.082 1.00 15.24 H new ATOM 0 HG12 VAL A 55 19.434 -11.830 -7.439 1.00 15.24 H new ATOM 0 HG13 VAL A 55 20.053 -11.709 -5.774 1.00 15.24 H new ATOM 0 HG21 VAL A 55 18.139 -9.444 -4.919 1.00 21.21 H new ATOM 0 HG22 VAL A 55 19.883 -9.443 -4.564 1.00 21.21 H new ATOM 0 HG23 VAL A 55 19.151 -8.073 -5.432 1.00 21.21 H new ATOM 903 N ARG A 56 20.262 -7.908 -8.956 1.00 32.44 N ATOM 904 CA ARG A 56 20.148 -6.606 -9.600 1.00 43.34 C ATOM 905 C ARG A 56 18.723 -6.363 -10.089 1.00 62.31 C ATOM 906 O ARG A 56 18.203 -7.116 -10.913 1.00 12.00 O ATOM 907 CB ARG A 56 21.125 -6.507 -10.774 1.00 11.13 C ATOM 908 CG ARG A 56 20.847 -5.334 -11.700 1.00 24.10 C ATOM 909 CD ARG A 56 21.858 -5.269 -12.834 1.00 42.12 C ATOM 910 NE ARG A 56 22.973 -4.379 -12.523 1.00 4.20 N ATOM 911 CZ ARG A 56 24.152 -4.437 -13.133 1.00 1.31 C ATOM 912 NH1 ARG A 56 24.368 -5.337 -14.082 1.00 32.12 N ATOM 913 NH2 ARG A 56 25.118 -3.592 -12.794 1.00 71.21 N ATOM 0 H ARG A 56 19.973 -8.694 -9.539 1.00 32.44 H new ATOM 0 HA ARG A 56 20.396 -5.842 -8.863 1.00 43.34 H new ATOM 0 HB2 ARG A 56 22.140 -6.420 -10.385 1.00 11.13 H new ATOM 0 HB3 ARG A 56 21.083 -7.432 -11.350 1.00 11.13 H new ATOM 0 HG2 ARG A 56 19.842 -5.424 -12.112 1.00 24.10 H new ATOM 0 HG3 ARG A 56 20.876 -4.405 -11.131 1.00 24.10 H new ATOM 0 HD2 ARG A 56 22.239 -6.270 -13.038 1.00 42.12 H new ATOM 0 HD3 ARG A 56 21.363 -4.926 -13.742 1.00 42.12 H new ATOM 0 HE ARG A 56 22.840 -3.674 -11.798 1.00 4.20 H new ATOM 0 HH11 ARG A 56 23.628 -5.988 -14.346 1.00 32.12 H new ATOM 0 HH12 ARG A 56 25.274 -5.379 -14.548 1.00 32.12 H new ATOM 0 HH21 ARG A 56 24.955 -2.898 -12.065 1.00 71.21 H new ATOM 0 HH22 ARG A 56 26.023 -3.637 -13.263 1.00 71.21 H new ATOM 927 N ILE A 57 18.098 -5.309 -9.575 1.00 64.23 N ATOM 928 CA ILE A 57 16.735 -4.968 -9.960 1.00 15.12 C ATOM 929 C ILE A 57 16.669 -4.525 -11.418 1.00 32.15 C ATOM 930 O ILE A 57 17.214 -3.484 -11.786 1.00 12.15 O ATOM 931 CB ILE A 57 16.162 -3.850 -9.069 1.00 55.20 C ATOM 932 CG1 ILE A 57 16.483 -4.124 -7.598 1.00 75.55 C ATOM 933 CG2 ILE A 57 14.659 -3.726 -9.275 1.00 22.32 C ATOM 934 CD1 ILE A 57 16.046 -5.495 -7.130 1.00 60.15 C ATOM 0 H ILE A 57 18.514 -4.677 -8.891 1.00 64.23 H new ATOM 0 HA ILE A 57 16.136 -5.869 -9.830 1.00 15.12 H new ATOM 0 HB ILE A 57 16.627 -2.906 -9.353 1.00 55.20 H new ATOM 0 HG12 ILE A 57 17.557 -4.021 -7.444 1.00 75.55 H new ATOM 0 HG13 ILE A 57 15.999 -3.367 -6.981 1.00 75.55 H new ATOM 0 HG21 ILE A 57 14.269 -2.932 -8.638 1.00 22.32 H new ATOM 0 HG22 ILE A 57 14.453 -3.489 -10.319 1.00 22.32 H new ATOM 0 HG23 ILE A 57 14.177 -4.669 -9.015 1.00 22.32 H new ATOM 0 HD11 ILE A 57 16.305 -5.620 -6.079 1.00 60.15 H new ATOM 0 HD12 ILE A 57 14.967 -5.595 -7.252 1.00 60.15 H new ATOM 0 HD13 ILE A 57 16.550 -6.259 -7.721 1.00 60.15 H new ATOM 946 N ILE A 58 15.997 -5.321 -12.242 1.00 61.33 N ATOM 947 CA ILE A 58 15.858 -5.010 -13.659 1.00 55.33 C ATOM 948 C ILE A 58 14.424 -5.229 -14.132 1.00 24.11 C ATOM 949 O ILE A 58 13.777 -6.204 -13.751 1.00 34.13 O ATOM 950 CB ILE A 58 16.806 -5.865 -14.520 1.00 5.41 C ATOM 951 CG1 ILE A 58 16.725 -7.334 -14.101 1.00 61.13 C ATOM 952 CG2 ILE A 58 18.234 -5.353 -14.402 1.00 3.23 C ATOM 953 CD1 ILE A 58 16.661 -8.293 -15.270 1.00 2.43 C ATOM 0 H ILE A 58 15.540 -6.186 -11.953 1.00 61.33 H new ATOM 0 HA ILE A 58 16.122 -3.959 -13.778 1.00 55.33 H new ATOM 0 HB ILE A 58 16.497 -5.787 -15.562 1.00 5.41 H new ATOM 0 HG12 ILE A 58 17.593 -7.577 -13.489 1.00 61.13 H new ATOM 0 HG13 ILE A 58 15.844 -7.477 -13.475 1.00 61.13 H new ATOM 0 HG21 ILE A 58 18.893 -5.967 -15.016 1.00 3.23 H new ATOM 0 HG22 ILE A 58 18.279 -4.319 -14.744 1.00 3.23 H new ATOM 0 HG23 ILE A 58 18.555 -5.406 -13.362 1.00 3.23 H new ATOM 0 HD11 ILE A 58 16.605 -9.316 -14.899 1.00 2.43 H new ATOM 0 HD12 ILE A 58 15.778 -8.076 -15.870 1.00 2.43 H new ATOM 0 HD13 ILE A 58 17.554 -8.178 -15.884 1.00 2.43 H new ATOM 965 N ASP A 59 13.936 -4.317 -14.965 1.00 61.12 N ATOM 966 CA ASP A 59 12.580 -4.412 -15.493 1.00 50.11 C ATOM 967 C ASP A 59 12.492 -5.483 -16.576 1.00 41.42 C ATOM 968 O ASP A 59 13.202 -5.424 -17.581 1.00 71.02 O ATOM 969 CB ASP A 59 12.133 -3.062 -16.056 1.00 4.41 C ATOM 970 CG ASP A 59 10.784 -3.138 -16.743 1.00 31.44 C ATOM 971 OD1 ASP A 59 10.046 -4.115 -16.495 1.00 24.53 O ATOM 972 OD2 ASP A 59 10.465 -2.221 -17.527 1.00 50.02 O ATOM 0 H ASP A 59 14.459 -3.504 -15.289 1.00 61.12 H new ATOM 0 HA ASP A 59 11.917 -4.693 -14.675 1.00 50.11 H new ATOM 0 HB2 ASP A 59 12.085 -2.333 -15.247 1.00 4.41 H new ATOM 0 HB3 ASP A 59 12.879 -2.703 -16.765 1.00 4.41 H new ATOM 977 N LEU A 60 11.618 -6.460 -16.365 1.00 30.23 N ATOM 978 CA LEU A 60 11.438 -7.546 -17.322 1.00 54.35 C ATOM 979 C LEU A 60 11.190 -6.999 -18.725 1.00 35.13 C ATOM 980 O LEU A 60 11.572 -7.616 -19.719 1.00 1.25 O ATOM 981 CB LEU A 60 10.271 -8.439 -16.897 1.00 52.12 C ATOM 982 CG LEU A 60 10.444 -9.936 -17.153 1.00 73.44 C ATOM 983 CD1 LEU A 60 9.169 -10.688 -16.803 1.00 61.55 C ATOM 984 CD2 LEU A 60 10.833 -10.188 -18.603 1.00 12.01 C ATOM 0 H LEU A 60 11.022 -6.523 -15.539 1.00 30.23 H new ATOM 0 HA LEU A 60 12.353 -8.138 -17.339 1.00 54.35 H new ATOM 0 HB2 LEU A 60 10.096 -8.291 -15.831 1.00 52.12 H new ATOM 0 HB3 LEU A 60 9.374 -8.103 -17.417 1.00 52.12 H new ATOM 0 HG LEU A 60 11.246 -10.304 -16.513 1.00 73.44 H new ATOM 0 HD11 LEU A 60 9.311 -11.752 -16.992 1.00 61.55 H new ATOM 0 HD12 LEU A 60 8.933 -10.534 -15.750 1.00 61.55 H new ATOM 0 HD13 LEU A 60 8.348 -10.317 -17.416 1.00 61.55 H new ATOM 0 HD21 LEU A 60 10.952 -11.259 -18.767 1.00 12.01 H new ATOM 0 HD22 LEU A 60 10.053 -9.805 -19.261 1.00 12.01 H new ATOM 0 HD23 LEU A 60 11.773 -9.681 -18.821 1.00 12.01 H new ATOM 996 N MET A 61 10.549 -5.837 -18.796 1.00 74.04 N ATOM 997 CA MET A 61 10.253 -5.206 -20.077 1.00 51.52 C ATOM 998 C MET A 61 11.434 -4.366 -20.555 1.00 73.30 C ATOM 999 O MET A 61 11.633 -4.186 -21.756 1.00 63.14 O ATOM 1000 CB MET A 61 9.003 -4.330 -19.962 1.00 65.21 C ATOM 1001 CG MET A 61 7.737 -5.011 -20.456 1.00 1.12 C ATOM 1002 SD MET A 61 7.393 -6.553 -19.587 1.00 4.23 S ATOM 1003 CE MET A 61 7.487 -6.009 -17.883 1.00 25.34 C ATOM 0 H MET A 61 10.225 -5.314 -17.983 1.00 74.04 H new ATOM 0 HA MET A 61 10.070 -5.994 -20.808 1.00 51.52 H new ATOM 0 HB2 MET A 61 8.867 -4.040 -18.920 1.00 65.21 H new ATOM 0 HB3 MET A 61 9.158 -3.413 -20.530 1.00 65.21 H new ATOM 0 HG2 MET A 61 6.893 -4.333 -20.333 1.00 1.12 H new ATOM 0 HG3 MET A 61 7.830 -5.213 -21.523 1.00 1.12 H new ATOM 0 HE1 MET A 61 6.770 -6.569 -17.282 1.00 25.34 H new ATOM 0 HE2 MET A 61 8.493 -6.181 -17.501 1.00 25.34 H new ATOM 0 HE3 MET A 61 7.254 -4.946 -17.827 1.00 25.34 H new ATOM 1013 N ASP A 62 12.212 -3.856 -19.608 1.00 4.42 N ATOM 1014 CA ASP A 62 13.374 -3.036 -19.932 1.00 50.24 C ATOM 1015 C ASP A 62 14.514 -3.297 -18.953 1.00 63.24 C ATOM 1016 O ASP A 62 14.771 -2.515 -18.038 1.00 40.32 O ATOM 1017 CB ASP A 62 13.000 -1.553 -19.914 1.00 54.04 C ATOM 1018 CG ASP A 62 11.605 -1.302 -20.452 1.00 54.51 C ATOM 1019 OD1 ASP A 62 11.364 -1.603 -21.640 1.00 13.14 O ATOM 1020 OD2 ASP A 62 10.754 -0.803 -19.686 1.00 12.43 O ATOM 0 H ASP A 62 12.060 -3.996 -18.609 1.00 4.42 H new ATOM 0 HA ASP A 62 13.710 -3.306 -20.933 1.00 50.24 H new ATOM 0 HB2 ASP A 62 13.066 -1.177 -18.893 1.00 54.04 H new ATOM 0 HB3 ASP A 62 13.722 -0.992 -20.508 1.00 54.04 H new ATOM 1025 N PRO A 63 15.215 -4.424 -19.148 1.00 21.20 N ATOM 1026 CA PRO A 63 16.339 -4.815 -18.292 1.00 21.20 C ATOM 1027 C PRO A 63 17.553 -3.912 -18.480 1.00 51.33 C ATOM 1028 O PRO A 63 18.528 -4.004 -17.736 1.00 4.21 O ATOM 1029 CB PRO A 63 16.657 -6.240 -18.752 1.00 75.12 C ATOM 1030 CG PRO A 63 16.169 -6.301 -20.159 1.00 21.33 C ATOM 1031 CD PRO A 63 14.965 -5.403 -20.219 1.00 34.30 C ATOM 0 HA PRO A 63 16.090 -4.739 -17.234 1.00 21.20 H new ATOM 0 HB2 PRO A 63 17.726 -6.445 -18.694 1.00 75.12 H new ATOM 0 HB3 PRO A 63 16.156 -6.979 -18.127 1.00 75.12 H new ATOM 0 HG2 PRO A 63 16.940 -5.967 -20.854 1.00 21.33 H new ATOM 0 HG3 PRO A 63 15.909 -7.322 -20.438 1.00 21.33 H new ATOM 0 HD2 PRO A 63 14.873 -4.920 -21.192 1.00 34.30 H new ATOM 0 HD3 PRO A 63 14.042 -5.957 -20.049 1.00 34.30 H new ATOM 1039 N ALA A 64 17.485 -3.039 -19.480 1.00 45.40 N ATOM 1040 CA ALA A 64 18.578 -2.117 -19.764 1.00 42.21 C ATOM 1041 C ALA A 64 18.348 -0.768 -19.091 1.00 33.00 C ATOM 1042 O ALA A 64 19.209 0.111 -19.126 1.00 63.23 O ATOM 1043 CB ALA A 64 18.741 -1.938 -21.266 1.00 70.13 C ATOM 0 H ALA A 64 16.685 -2.951 -20.107 1.00 45.40 H new ATOM 0 HA ALA A 64 19.495 -2.544 -19.358 1.00 42.21 H new ATOM 0 HB1 ALA A 64 19.561 -1.247 -21.463 1.00 70.13 H new ATOM 0 HB2 ALA A 64 18.960 -2.902 -21.726 1.00 70.13 H new ATOM 0 HB3 ALA A 64 17.819 -1.537 -21.687 1.00 70.13 H new ATOM 1049 N LYS A 65 17.179 -0.610 -18.478 1.00 44.13 N ATOM 1050 CA LYS A 65 16.835 0.632 -17.796 1.00 34.31 C ATOM 1051 C LYS A 65 17.399 0.649 -16.379 1.00 32.41 C ATOM 1052 O LYS A 65 18.074 1.598 -15.981 1.00 21.05 O ATOM 1053 CB LYS A 65 15.315 0.809 -17.753 1.00 42.44 C ATOM 1054 CG LYS A 65 14.742 1.446 -19.008 1.00 11.03 C ATOM 1055 CD LYS A 65 13.723 2.521 -18.671 1.00 55.42 C ATOM 1056 CE LYS A 65 14.396 3.792 -18.175 1.00 72.10 C ATOM 1057 NZ LYS A 65 13.651 5.013 -18.590 1.00 34.35 N ATOM 0 H LYS A 65 16.454 -1.327 -18.440 1.00 44.13 H new ATOM 0 HA LYS A 65 17.276 1.458 -18.354 1.00 34.31 H new ATOM 0 HB2 LYS A 65 14.848 -0.165 -17.604 1.00 42.44 H new ATOM 0 HB3 LYS A 65 15.053 1.423 -16.892 1.00 42.44 H new ATOM 0 HG2 LYS A 65 15.549 1.880 -19.598 1.00 11.03 H new ATOM 0 HG3 LYS A 65 14.273 0.679 -19.625 1.00 11.03 H new ATOM 0 HD2 LYS A 65 13.124 2.746 -19.554 1.00 55.42 H new ATOM 0 HD3 LYS A 65 13.039 2.149 -17.908 1.00 55.42 H new ATOM 0 HE2 LYS A 65 14.469 3.763 -17.088 1.00 72.10 H new ATOM 0 HE3 LYS A 65 15.414 3.839 -18.562 1.00 72.10 H new ATOM 0 HZ1 LYS A 65 14.142 5.857 -18.233 1.00 34.35 H new ATOM 0 HZ2 LYS A 65 13.603 5.054 -19.628 1.00 34.35 H new ATOM 0 HZ3 LYS A 65 12.688 4.981 -18.200 1.00 34.35 H new ATOM 1071 N TYR A 66 17.119 -0.407 -15.623 1.00 70.32 N ATOM 1072 CA TYR A 66 17.598 -0.513 -14.250 1.00 60.01 C ATOM 1073 C TYR A 66 18.833 -1.405 -14.171 1.00 43.02 C ATOM 1074 O TYR A 66 19.138 -1.970 -13.122 1.00 23.34 O ATOM 1075 CB TYR A 66 16.497 -1.067 -13.345 1.00 14.13 C ATOM 1076 CG TYR A 66 15.339 -0.114 -13.147 1.00 23.22 C ATOM 1077 CD1 TYR A 66 14.523 0.249 -14.211 1.00 60.41 C ATOM 1078 CD2 TYR A 66 15.063 0.424 -11.896 1.00 74.21 C ATOM 1079 CE1 TYR A 66 13.465 1.119 -14.035 1.00 51.24 C ATOM 1080 CE2 TYR A 66 14.006 1.294 -11.711 1.00 32.12 C ATOM 1081 CZ TYR A 66 13.210 1.639 -12.783 1.00 60.33 C ATOM 1082 OH TYR A 66 12.157 2.506 -12.603 1.00 42.31 O ATOM 0 H TYR A 66 16.563 -1.202 -15.938 1.00 70.32 H new ATOM 0 HA TYR A 66 17.871 0.486 -13.910 1.00 60.01 H new ATOM 0 HB2 TYR A 66 16.122 -1.998 -13.771 1.00 14.13 H new ATOM 0 HB3 TYR A 66 16.926 -1.311 -12.373 1.00 14.13 H new ATOM 0 HD1 TYR A 66 14.719 -0.156 -15.193 1.00 60.41 H new ATOM 0 HD2 TYR A 66 15.685 0.158 -11.054 1.00 74.21 H new ATOM 0 HE1 TYR A 66 12.841 1.391 -14.873 1.00 51.24 H new ATOM 0 HE2 TYR A 66 13.804 1.702 -10.732 1.00 32.12 H new ATOM 0 HH TYR A 66 12.115 2.779 -11.663 1.00 42.31 H new ATOM 1092 N ALA A 67 19.541 -1.525 -15.290 1.00 34.12 N ATOM 1093 CA ALA A 67 20.744 -2.345 -15.348 1.00 62.32 C ATOM 1094 C ALA A 67 21.958 -1.576 -14.838 1.00 40.03 C ATOM 1095 O ALA A 67 22.995 -2.165 -14.534 1.00 42.11 O ATOM 1096 CB ALA A 67 20.984 -2.831 -16.770 1.00 54.32 C ATOM 0 H ALA A 67 19.302 -1.064 -16.168 1.00 34.12 H new ATOM 0 HA ALA A 67 20.596 -3.209 -14.701 1.00 62.32 H new ATOM 0 HB1 ALA A 67 21.886 -3.442 -16.798 1.00 54.32 H new ATOM 0 HB2 ALA A 67 20.132 -3.426 -17.100 1.00 54.32 H new ATOM 0 HB3 ALA A 67 21.106 -1.974 -17.432 1.00 54.32 H new ATOM 1102 N SER A 68 21.822 -0.257 -14.748 1.00 52.12 N ATOM 1103 CA SER A 68 22.909 0.594 -14.279 1.00 65.33 C ATOM 1104 C SER A 68 22.734 0.936 -12.803 1.00 55.30 C ATOM 1105 O SER A 68 23.681 1.343 -12.131 1.00 24.22 O ATOM 1106 CB SER A 68 22.975 1.878 -15.108 1.00 74.13 C ATOM 1107 OG SER A 68 22.924 1.593 -16.495 1.00 74.44 O ATOM 0 H SER A 68 20.969 0.246 -14.994 1.00 52.12 H new ATOM 0 HA SER A 68 23.843 0.045 -14.398 1.00 65.33 H new ATOM 0 HB2 SER A 68 22.146 2.532 -14.837 1.00 74.13 H new ATOM 0 HB3 SER A 68 23.894 2.416 -14.878 1.00 74.13 H new ATOM 0 HG SER A 68 22.966 2.430 -17.003 1.00 74.44 H new ATOM 1113 N VAL A 69 21.513 0.769 -12.305 1.00 34.04 N ATOM 1114 CA VAL A 69 21.211 1.059 -10.908 1.00 74.10 C ATOM 1115 C VAL A 69 22.199 0.366 -9.977 1.00 30.02 C ATOM 1116 O VAL A 69 22.728 -0.699 -10.297 1.00 52.42 O ATOM 1117 CB VAL A 69 19.781 0.620 -10.540 1.00 71.30 C ATOM 1118 CG1 VAL A 69 19.684 -0.898 -10.494 1.00 15.52 C ATOM 1119 CG2 VAL A 69 19.362 1.230 -9.211 1.00 21.21 C ATOM 0 H VAL A 69 20.717 0.434 -12.848 1.00 34.04 H new ATOM 0 HA VAL A 69 21.295 2.139 -10.784 1.00 74.10 H new ATOM 0 HB VAL A 69 19.099 0.981 -11.310 1.00 71.30 H new ATOM 0 HG11 VAL A 69 18.667 -1.190 -10.233 1.00 15.52 H new ATOM 0 HG12 VAL A 69 19.940 -1.309 -11.471 1.00 15.52 H new ATOM 0 HG13 VAL A 69 20.376 -1.284 -9.746 1.00 15.52 H new ATOM 0 HG21 VAL A 69 18.349 0.909 -8.967 1.00 21.21 H new ATOM 0 HG22 VAL A 69 20.046 0.901 -8.428 1.00 21.21 H new ATOM 0 HG23 VAL A 69 19.390 2.317 -9.285 1.00 21.21 H new ATOM 1129 N ASP A 70 22.443 0.977 -8.823 1.00 24.54 N ATOM 1130 CA ASP A 70 23.368 0.418 -7.843 1.00 34.33 C ATOM 1131 C ASP A 70 22.610 -0.200 -6.672 1.00 32.23 C ATOM 1132 O ASP A 70 22.344 0.464 -5.669 1.00 42.34 O ATOM 1133 CB ASP A 70 24.322 1.500 -7.335 1.00 33.22 C ATOM 1134 CG ASP A 70 25.093 2.165 -8.458 1.00 24.33 C ATOM 1135 OD1 ASP A 70 25.017 1.673 -9.603 1.00 74.12 O ATOM 1136 OD2 ASP A 70 25.773 3.177 -8.191 1.00 44.41 O ATOM 0 H ASP A 70 22.014 1.859 -8.543 1.00 24.54 H new ATOM 0 HA ASP A 70 23.947 -0.365 -8.332 1.00 34.33 H new ATOM 0 HB2 ASP A 70 23.754 2.255 -6.791 1.00 33.22 H new ATOM 0 HB3 ASP A 70 25.024 1.058 -6.628 1.00 33.22 H new ATOM 1141 N THR A 71 22.263 -1.477 -6.805 1.00 54.43 N ATOM 1142 CA THR A 71 21.533 -2.184 -5.760 1.00 45.31 C ATOM 1143 C THR A 71 22.225 -2.034 -4.410 1.00 14.43 C ATOM 1144 O THR A 71 21.573 -1.804 -3.390 1.00 63.33 O ATOM 1145 CB THR A 71 21.393 -3.682 -6.088 1.00 62.15 C ATOM 1146 OG1 THR A 71 22.397 -4.073 -7.032 1.00 52.11 O ATOM 1147 CG2 THR A 71 20.014 -3.986 -6.653 1.00 55.50 C ATOM 0 H THR A 71 22.476 -2.043 -7.627 1.00 54.43 H new ATOM 0 HA THR A 71 20.540 -1.737 -5.709 1.00 45.31 H new ATOM 0 HB THR A 71 21.523 -4.247 -5.165 1.00 62.15 H new ATOM 0 HG1 THR A 71 22.407 -5.050 -7.114 1.00 52.11 H new ATOM 0 HG21 THR A 71 19.939 -5.050 -6.877 1.00 55.50 H new ATOM 0 HG22 THR A 71 19.253 -3.715 -5.921 1.00 55.50 H new ATOM 0 HG23 THR A 71 19.860 -3.411 -7.566 1.00 55.50 H new ATOM 1155 N TYR A 72 23.546 -2.164 -4.409 1.00 45.44 N ATOM 1156 CA TYR A 72 24.326 -2.044 -3.183 1.00 11.01 C ATOM 1157 C TYR A 72 24.020 -0.731 -2.469 1.00 11.11 C ATOM 1158 O TYR A 72 23.850 -0.699 -1.250 1.00 74.10 O ATOM 1159 CB TYR A 72 25.821 -2.132 -3.493 1.00 61.24 C ATOM 1160 CG TYR A 72 26.705 -1.819 -2.308 1.00 2.25 C ATOM 1161 CD1 TYR A 72 26.499 -2.437 -1.080 1.00 42.31 C ATOM 1162 CD2 TYR A 72 27.746 -0.904 -2.414 1.00 33.30 C ATOM 1163 CE1 TYR A 72 27.304 -2.153 0.006 1.00 20.14 C ATOM 1164 CE2 TYR A 72 28.556 -0.616 -1.333 1.00 43.43 C ATOM 1165 CZ TYR A 72 28.331 -1.242 -0.125 1.00 64.34 C ATOM 1166 OH TYR A 72 29.136 -0.956 0.954 1.00 72.41 O ATOM 0 H TYR A 72 24.100 -2.353 -5.244 1.00 45.44 H new ATOM 0 HA TYR A 72 24.049 -2.868 -2.525 1.00 11.01 H new ATOM 0 HB2 TYR A 72 26.051 -3.135 -3.852 1.00 61.24 H new ATOM 0 HB3 TYR A 72 26.057 -1.442 -4.303 1.00 61.24 H new ATOM 0 HD1 TYR A 72 25.696 -3.151 -0.973 1.00 42.31 H new ATOM 0 HD2 TYR A 72 27.924 -0.410 -3.358 1.00 33.30 H new ATOM 0 HE1 TYR A 72 27.130 -2.642 0.953 1.00 20.14 H new ATOM 0 HE2 TYR A 72 29.362 0.096 -1.433 1.00 43.43 H new ATOM 0 HH TYR A 72 29.811 -0.295 0.693 1.00 72.41 H new ATOM 1176 N ASP A 73 23.951 0.350 -3.237 1.00 42.53 N ATOM 1177 CA ASP A 73 23.664 1.667 -2.680 1.00 40.33 C ATOM 1178 C ASP A 73 22.267 1.706 -2.070 1.00 14.12 C ATOM 1179 O ASP A 73 21.265 1.661 -2.784 1.00 71.11 O ATOM 1180 CB ASP A 73 23.791 2.741 -3.762 1.00 44.01 C ATOM 1181 CG ASP A 73 23.626 4.143 -3.209 1.00 34.31 C ATOM 1182 OD1 ASP A 73 23.563 4.288 -1.970 1.00 13.41 O ATOM 1183 OD2 ASP A 73 23.560 5.094 -4.015 1.00 13.23 O ATOM 0 H ASP A 73 24.090 0.341 -4.247 1.00 42.53 H new ATOM 0 HA ASP A 73 24.391 1.867 -1.893 1.00 40.33 H new ATOM 0 HB2 ASP A 73 24.766 2.655 -4.242 1.00 44.01 H new ATOM 0 HB3 ASP A 73 23.040 2.567 -4.533 1.00 44.01 H new ATOM 1188 N ARG A 74 22.207 1.789 -0.745 1.00 24.23 N ATOM 1189 CA ARG A 74 20.933 1.831 -0.038 1.00 11.10 C ATOM 1190 C ARG A 74 20.051 2.955 -0.574 1.00 70.13 C ATOM 1191 O ARG A 74 18.825 2.887 -0.491 1.00 42.44 O ATOM 1192 CB ARG A 74 21.164 2.021 1.462 1.00 15.24 C ATOM 1193 CG ARG A 74 21.548 3.441 1.844 1.00 12.34 C ATOM 1194 CD ARG A 74 22.960 3.777 1.391 1.00 52.41 C ATOM 1195 NE ARG A 74 23.927 2.770 1.820 1.00 52.51 N ATOM 1196 CZ ARG A 74 24.307 2.608 3.082 1.00 21.41 C ATOM 1197 NH1 ARG A 74 23.804 3.381 4.035 1.00 65.15 N ATOM 1198 NH2 ARG A 74 25.192 1.669 3.394 1.00 72.01 N ATOM 0 H ARG A 74 23.027 1.829 -0.139 1.00 24.23 H new ATOM 0 HA ARG A 74 20.423 0.882 -0.203 1.00 11.10 H new ATOM 0 HB2 ARG A 74 20.257 1.742 1.999 1.00 15.24 H new ATOM 0 HB3 ARG A 74 21.950 1.341 1.789 1.00 15.24 H new ATOM 0 HG2 ARG A 74 20.844 4.142 1.396 1.00 12.34 H new ATOM 0 HG3 ARG A 74 21.473 3.561 2.925 1.00 12.34 H new ATOM 0 HD2 ARG A 74 22.982 3.861 0.304 1.00 52.41 H new ATOM 0 HD3 ARG A 74 23.247 4.749 1.791 1.00 52.41 H new ATOM 0 HE ARG A 74 24.332 2.158 1.112 1.00 52.51 H new ATOM 0 HH11 ARG A 74 23.123 4.103 3.800 1.00 65.15 H new ATOM 0 HH12 ARG A 74 24.098 3.254 5.003 1.00 65.15 H new ATOM 0 HH21 ARG A 74 25.580 1.072 2.664 1.00 72.01 H new ATOM 0 HH22 ARG A 74 25.484 1.545 4.364 1.00 72.01 H new ATOM 1212 N GLU A 75 20.684 3.987 -1.123 1.00 64.33 N ATOM 1213 CA GLU A 75 19.957 5.125 -1.671 1.00 55.25 C ATOM 1214 C GLU A 75 19.158 4.717 -2.906 1.00 71.01 C ATOM 1215 O GLU A 75 17.944 4.908 -2.963 1.00 14.13 O ATOM 1216 CB GLU A 75 20.925 6.255 -2.028 1.00 24.43 C ATOM 1217 CG GLU A 75 21.362 7.082 -0.830 1.00 43.05 C ATOM 1218 CD GLU A 75 22.420 8.109 -1.186 1.00 14.22 C ATOM 1219 OE1 GLU A 75 23.123 7.910 -2.199 1.00 33.14 O ATOM 1220 OE2 GLU A 75 22.544 9.112 -0.452 1.00 22.42 O ATOM 0 H GLU A 75 21.699 4.058 -1.200 1.00 64.33 H new ATOM 0 HA GLU A 75 19.262 5.479 -0.909 1.00 55.25 H new ATOM 0 HB2 GLU A 75 21.807 5.829 -2.506 1.00 24.43 H new ATOM 0 HB3 GLU A 75 20.451 6.911 -2.759 1.00 24.43 H new ATOM 0 HG2 GLU A 75 20.495 7.590 -0.408 1.00 43.05 H new ATOM 0 HG3 GLU A 75 21.750 6.419 -0.057 1.00 43.05 H new ATOM 1227 N GLN A 76 19.850 4.155 -3.892 1.00 31.11 N ATOM 1228 CA GLN A 76 19.206 3.721 -5.126 1.00 14.01 C ATOM 1229 C GLN A 76 18.125 2.684 -4.840 1.00 71.42 C ATOM 1230 O GLN A 76 16.963 2.865 -5.206 1.00 65.22 O ATOM 1231 CB GLN A 76 20.242 3.143 -6.091 1.00 71.31 C ATOM 1232 CG GLN A 76 21.371 4.106 -6.420 1.00 70.12 C ATOM 1233 CD GLN A 76 21.585 4.267 -7.912 1.00 73.34 C ATOM 1234 OE1 GLN A 76 20.633 4.242 -8.694 1.00 2.44 O ATOM 1235 NE2 GLN A 76 22.839 4.432 -8.317 1.00 14.53 N ATOM 0 H GLN A 76 20.856 3.990 -3.860 1.00 31.11 H new ATOM 0 HA GLN A 76 18.737 4.590 -5.587 1.00 14.01 H new ATOM 0 HB2 GLN A 76 20.664 2.236 -5.658 1.00 71.31 H new ATOM 0 HB3 GLN A 76 19.743 2.852 -7.015 1.00 71.31 H new ATOM 0 HG2 GLN A 76 21.152 5.080 -5.981 1.00 70.12 H new ATOM 0 HG3 GLN A 76 22.293 3.749 -5.961 1.00 70.12 H new ATOM 0 HE21 GLN A 76 23.597 4.447 -7.635 1.00 14.53 H new ATOM 0 HE22 GLN A 76 23.044 4.544 -9.310 1.00 14.53 H new ATOM 1244 N VAL A 77 18.515 1.595 -4.184 1.00 52.21 N ATOM 1245 CA VAL A 77 17.579 0.529 -3.848 1.00 61.44 C ATOM 1246 C VAL A 77 16.358 1.078 -3.120 1.00 30.03 C ATOM 1247 O VAL A 77 15.253 0.555 -3.259 1.00 14.34 O ATOM 1248 CB VAL A 77 18.246 -0.547 -2.971 1.00 30.40 C ATOM 1249 CG1 VAL A 77 18.286 -0.102 -1.517 1.00 43.53 C ATOM 1250 CG2 VAL A 77 17.516 -1.875 -3.110 1.00 3.00 C ATOM 0 H VAL A 77 19.473 1.428 -3.875 1.00 52.21 H new ATOM 0 HA VAL A 77 17.264 0.077 -4.788 1.00 61.44 H new ATOM 0 HB VAL A 77 19.272 -0.684 -3.313 1.00 30.40 H new ATOM 0 HG11 VAL A 77 18.761 -0.875 -0.913 1.00 43.53 H new ATOM 0 HG12 VAL A 77 18.856 0.823 -1.435 1.00 43.53 H new ATOM 0 HG13 VAL A 77 17.270 0.065 -1.160 1.00 43.53 H new ATOM 0 HG21 VAL A 77 18.001 -2.624 -2.484 1.00 3.00 H new ATOM 0 HG22 VAL A 77 16.479 -1.755 -2.796 1.00 3.00 H new ATOM 0 HG23 VAL A 77 17.545 -2.199 -4.150 1.00 3.00 H new ATOM 1260 N MET A 78 16.566 2.136 -2.343 1.00 13.03 N ATOM 1261 CA MET A 78 15.481 2.758 -1.593 1.00 34.12 C ATOM 1262 C MET A 78 14.482 3.425 -2.534 1.00 5.44 C ATOM 1263 O MET A 78 13.285 3.141 -2.489 1.00 3.34 O ATOM 1264 CB MET A 78 16.037 3.787 -0.607 1.00 44.24 C ATOM 1265 CG MET A 78 16.195 3.252 0.806 1.00 30.44 C ATOM 1266 SD MET A 78 16.580 4.546 2.001 1.00 50.42 S ATOM 1267 CE MET A 78 18.358 4.657 1.819 1.00 64.21 C ATOM 0 H MET A 78 17.475 2.580 -2.216 1.00 13.03 H new ATOM 0 HA MET A 78 14.963 1.977 -1.037 1.00 34.12 H new ATOM 0 HB2 MET A 78 17.006 4.135 -0.965 1.00 44.24 H new ATOM 0 HB3 MET A 78 15.375 4.653 -0.587 1.00 44.24 H new ATOM 0 HG2 MET A 78 15.275 2.749 1.105 1.00 30.44 H new ATOM 0 HG3 MET A 78 16.987 2.503 0.820 1.00 30.44 H new ATOM 0 HE1 MET A 78 18.772 5.239 2.642 1.00 64.21 H new ATOM 0 HE2 MET A 78 18.788 3.656 1.830 1.00 64.21 H new ATOM 0 HE3 MET A 78 18.597 5.144 0.874 1.00 64.21 H new ATOM 1277 N LYS A 79 14.982 4.315 -3.385 1.00 63.51 N ATOM 1278 CA LYS A 79 14.135 5.022 -4.338 1.00 4.42 C ATOM 1279 C LYS A 79 13.327 4.041 -5.181 1.00 11.43 C ATOM 1280 O LYS A 79 12.160 4.287 -5.487 1.00 13.03 O ATOM 1281 CB LYS A 79 14.987 5.911 -5.247 1.00 64.21 C ATOM 1282 CG LYS A 79 15.782 6.965 -4.496 1.00 41.00 C ATOM 1283 CD LYS A 79 17.020 7.386 -5.270 1.00 3.15 C ATOM 1284 CE LYS A 79 17.794 8.470 -4.535 1.00 44.12 C ATOM 1285 NZ LYS A 79 18.739 9.185 -5.438 1.00 11.24 N ATOM 0 H LYS A 79 15.970 4.564 -3.434 1.00 63.51 H new ATOM 0 HA LYS A 79 13.441 5.647 -3.775 1.00 4.42 H new ATOM 0 HB2 LYS A 79 15.676 5.283 -5.813 1.00 64.21 H new ATOM 0 HB3 LYS A 79 14.338 6.405 -5.970 1.00 64.21 H new ATOM 0 HG2 LYS A 79 15.152 7.836 -4.314 1.00 41.00 H new ATOM 0 HG3 LYS A 79 16.076 6.575 -3.522 1.00 41.00 H new ATOM 0 HD2 LYS A 79 17.664 6.521 -5.427 1.00 3.15 H new ATOM 0 HD3 LYS A 79 16.728 7.750 -6.255 1.00 3.15 H new ATOM 0 HE2 LYS A 79 17.095 9.185 -4.101 1.00 44.12 H new ATOM 0 HE3 LYS A 79 18.348 8.024 -3.709 1.00 44.12 H new ATOM 0 HZ1 LYS A 79 19.247 9.916 -4.900 1.00 11.24 H new ATOM 0 HZ2 LYS A 79 19.422 8.507 -5.833 1.00 11.24 H new ATOM 0 HZ3 LYS A 79 18.208 9.632 -6.213 1.00 11.24 H new ATOM 1299 N ILE A 80 13.954 2.930 -5.551 1.00 50.13 N ATOM 1300 CA ILE A 80 13.291 1.912 -6.356 1.00 61.33 C ATOM 1301 C ILE A 80 12.152 1.256 -5.584 1.00 31.44 C ATOM 1302 O ILE A 80 11.012 1.223 -6.047 1.00 53.54 O ATOM 1303 CB ILE A 80 14.280 0.823 -6.813 1.00 43.32 C ATOM 1304 CG1 ILE A 80 15.396 1.440 -7.659 1.00 2.11 C ATOM 1305 CG2 ILE A 80 13.552 -0.259 -7.596 1.00 21.54 C ATOM 1306 CD1 ILE A 80 16.503 0.467 -8.001 1.00 51.42 C ATOM 0 H ILE A 80 14.920 2.712 -5.306 1.00 50.13 H new ATOM 0 HA ILE A 80 12.888 2.417 -7.234 1.00 61.33 H new ATOM 0 HB ILE A 80 14.728 0.366 -5.930 1.00 43.32 H new ATOM 0 HG12 ILE A 80 14.968 1.830 -8.582 1.00 2.11 H new ATOM 0 HG13 ILE A 80 15.821 2.288 -7.122 1.00 2.11 H new ATOM 0 HG21 ILE A 80 14.264 -1.021 -7.912 1.00 21.54 H new ATOM 0 HG22 ILE A 80 12.789 -0.715 -6.964 1.00 21.54 H new ATOM 0 HG23 ILE A 80 13.080 0.182 -8.474 1.00 21.54 H new ATOM 0 HD11 ILE A 80 17.259 0.973 -8.602 1.00 51.42 H new ATOM 0 HD12 ILE A 80 16.958 0.096 -7.083 1.00 51.42 H new ATOM 0 HD13 ILE A 80 16.091 -0.369 -8.566 1.00 51.42 H new ATOM 1318 N ILE A 81 12.468 0.735 -4.403 1.00 2.24 N ATOM 1319 CA ILE A 81 11.470 0.083 -3.564 1.00 64.41 C ATOM 1320 C ILE A 81 10.352 1.048 -3.188 1.00 54.23 C ATOM 1321 O ILE A 81 9.193 0.652 -3.058 1.00 42.05 O ATOM 1322 CB ILE A 81 12.099 -0.483 -2.277 1.00 4.41 C ATOM 1323 CG1 ILE A 81 13.115 -1.576 -2.617 1.00 13.31 C ATOM 1324 CG2 ILE A 81 11.019 -1.025 -1.353 1.00 51.51 C ATOM 1325 CD1 ILE A 81 13.984 -1.978 -1.446 1.00 61.02 C ATOM 0 H ILE A 81 13.407 0.752 -4.006 1.00 2.24 H new ATOM 0 HA ILE A 81 11.056 -0.739 -4.148 1.00 64.41 H new ATOM 0 HB ILE A 81 12.620 0.323 -1.761 1.00 4.41 H new ATOM 0 HG12 ILE A 81 12.583 -2.454 -2.983 1.00 13.31 H new ATOM 0 HG13 ILE A 81 13.753 -1.228 -3.430 1.00 13.31 H new ATOM 0 HG21 ILE A 81 11.480 -1.421 -0.448 1.00 51.51 H new ATOM 0 HG22 ILE A 81 10.330 -0.223 -1.088 1.00 51.51 H new ATOM 0 HG23 ILE A 81 10.472 -1.820 -1.860 1.00 51.51 H new ATOM 0 HD11 ILE A 81 14.680 -2.756 -1.760 1.00 61.02 H new ATOM 0 HD12 ILE A 81 14.543 -1.111 -1.094 1.00 61.02 H new ATOM 0 HD13 ILE A 81 13.356 -2.357 -0.640 1.00 61.02 H new ATOM 1337 N ASP A 82 10.706 2.317 -3.017 1.00 33.05 N ATOM 1338 CA ASP A 82 9.731 3.341 -2.658 1.00 41.05 C ATOM 1339 C ASP A 82 8.804 3.643 -3.832 1.00 2.01 C ATOM 1340 O ASP A 82 7.582 3.620 -3.691 1.00 1.11 O ATOM 1341 CB ASP A 82 10.443 4.619 -2.213 1.00 10.23 C ATOM 1342 CG ASP A 82 9.544 5.529 -1.399 1.00 31.24 C ATOM 1343 OD1 ASP A 82 8.769 6.297 -2.007 1.00 30.31 O ATOM 1344 OD2 ASP A 82 9.615 5.472 -0.153 1.00 54.33 O ATOM 0 H ASP A 82 11.660 2.661 -3.121 1.00 33.05 H new ATOM 0 HA ASP A 82 9.130 2.962 -1.831 1.00 41.05 H new ATOM 0 HB2 ASP A 82 11.320 4.356 -1.622 1.00 10.23 H new ATOM 0 HB3 ASP A 82 10.800 5.157 -3.091 1.00 10.23 H new ATOM 1349 N GLU A 83 9.395 3.927 -4.988 1.00 60.35 N ATOM 1350 CA GLU A 83 8.621 4.235 -6.185 1.00 42.23 C ATOM 1351 C GLU A 83 7.725 3.062 -6.571 1.00 63.24 C ATOM 1352 O GLU A 83 6.560 3.246 -6.924 1.00 62.33 O ATOM 1353 CB GLU A 83 9.554 4.583 -7.347 1.00 62.32 C ATOM 1354 CG GLU A 83 10.218 5.943 -7.209 1.00 70.51 C ATOM 1355 CD GLU A 83 9.375 7.064 -7.783 1.00 15.41 C ATOM 1356 OE1 GLU A 83 8.215 6.801 -8.163 1.00 72.21 O ATOM 1357 OE2 GLU A 83 9.875 8.207 -7.851 1.00 60.34 O ATOM 0 H GLU A 83 10.406 3.950 -5.121 1.00 60.35 H new ATOM 0 HA GLU A 83 7.989 5.095 -5.966 1.00 42.23 H new ATOM 0 HB2 GLU A 83 10.326 3.817 -7.424 1.00 62.32 H new ATOM 0 HB3 GLU A 83 8.987 4.558 -8.277 1.00 62.32 H new ATOM 0 HG2 GLU A 83 10.413 6.143 -6.155 1.00 70.51 H new ATOM 0 HG3 GLU A 83 11.184 5.925 -7.714 1.00 70.51 H new ATOM 1364 N PHE A 84 8.278 1.855 -6.502 1.00 41.33 N ATOM 1365 CA PHE A 84 7.531 0.651 -6.846 1.00 13.21 C ATOM 1366 C PHE A 84 6.560 0.277 -5.730 1.00 21.53 C ATOM 1367 O PHE A 84 5.622 -0.494 -5.939 1.00 4.43 O ATOM 1368 CB PHE A 84 8.490 -0.511 -7.115 1.00 14.54 C ATOM 1369 CG PHE A 84 8.989 -0.560 -8.530 1.00 63.21 C ATOM 1370 CD1 PHE A 84 9.771 0.465 -9.039 1.00 74.42 C ATOM 1371 CD2 PHE A 84 8.678 -1.632 -9.351 1.00 43.24 C ATOM 1372 CE1 PHE A 84 10.231 0.422 -10.342 1.00 30.43 C ATOM 1373 CE2 PHE A 84 9.136 -1.681 -10.655 1.00 2.53 C ATOM 1374 CZ PHE A 84 9.914 -0.653 -11.150 1.00 5.20 C ATOM 0 H PHE A 84 9.241 1.685 -6.211 1.00 41.33 H new ATOM 0 HA PHE A 84 6.957 0.855 -7.750 1.00 13.21 H new ATOM 0 HB2 PHE A 84 9.342 -0.432 -6.440 1.00 14.54 H new ATOM 0 HB3 PHE A 84 7.986 -1.449 -6.883 1.00 14.54 H new ATOM 0 HD1 PHE A 84 10.024 1.306 -8.411 1.00 74.42 H new ATOM 0 HD2 PHE A 84 8.071 -2.439 -8.968 1.00 43.24 H new ATOM 0 HE1 PHE A 84 10.838 1.228 -10.728 1.00 30.43 H new ATOM 0 HE2 PHE A 84 8.886 -2.522 -11.285 1.00 2.53 H new ATOM 0 HZ PHE A 84 10.274 -0.689 -12.168 1.00 5.20 H new ATOM 1384 N LYS A 85 6.792 0.826 -4.543 1.00 3.44 N ATOM 1385 CA LYS A 85 5.940 0.552 -3.392 1.00 11.31 C ATOM 1386 C LYS A 85 5.962 -0.932 -3.040 1.00 10.33 C ATOM 1387 O LYS A 85 4.913 -1.566 -2.919 1.00 4.13 O ATOM 1388 CB LYS A 85 4.504 0.998 -3.677 1.00 50.31 C ATOM 1389 CG LYS A 85 4.393 2.449 -4.114 1.00 20.22 C ATOM 1390 CD LYS A 85 4.460 3.395 -2.927 1.00 5.21 C ATOM 1391 CE LYS A 85 3.772 4.718 -3.229 1.00 23.44 C ATOM 1392 NZ LYS A 85 4.453 5.460 -4.326 1.00 23.53 N ATOM 0 H LYS A 85 7.564 1.464 -4.353 1.00 3.44 H new ATOM 0 HA LYS A 85 6.327 1.115 -2.543 1.00 11.31 H new ATOM 0 HB2 LYS A 85 4.082 0.360 -4.453 1.00 50.31 H new ATOM 0 HB3 LYS A 85 3.902 0.850 -2.781 1.00 50.31 H new ATOM 0 HG2 LYS A 85 5.197 2.682 -4.812 1.00 20.22 H new ATOM 0 HG3 LYS A 85 3.454 2.599 -4.647 1.00 20.22 H new ATOM 0 HD2 LYS A 85 3.990 2.928 -2.061 1.00 5.21 H new ATOM 0 HD3 LYS A 85 5.502 3.577 -2.664 1.00 5.21 H new ATOM 0 HE2 LYS A 85 2.734 4.533 -3.506 1.00 23.44 H new ATOM 0 HE3 LYS A 85 3.757 5.333 -2.329 1.00 23.44 H new ATOM 0 HZ1 LYS A 85 3.964 6.363 -4.490 1.00 23.53 H new ATOM 0 HZ2 LYS A 85 5.441 5.645 -4.059 1.00 23.53 H new ATOM 0 HZ3 LYS A 85 4.430 4.891 -5.196 1.00 23.53 H new ATOM 1406 N ILE A 86 7.162 -1.478 -2.875 1.00 72.34 N ATOM 1407 CA ILE A 86 7.319 -2.887 -2.534 1.00 51.34 C ATOM 1408 C ILE A 86 7.055 -3.126 -1.052 1.00 22.14 C ATOM 1409 O ILE A 86 7.584 -2.434 -0.182 1.00 3.31 O ATOM 1410 CB ILE A 86 8.730 -3.396 -2.882 1.00 61.21 C ATOM 1411 CG1 ILE A 86 9.124 -2.949 -4.291 1.00 65.33 C ATOM 1412 CG2 ILE A 86 8.790 -4.912 -2.765 1.00 52.10 C ATOM 1413 CD1 ILE A 86 10.522 -3.369 -4.689 1.00 44.51 C ATOM 0 H ILE A 86 8.039 -0.967 -2.972 1.00 72.34 H new ATOM 0 HA ILE A 86 6.587 -3.439 -3.124 1.00 51.34 H new ATOM 0 HB ILE A 86 9.440 -2.968 -2.174 1.00 61.21 H new ATOM 0 HG12 ILE A 86 8.412 -3.361 -5.006 1.00 65.33 H new ATOM 0 HG13 ILE A 86 9.048 -1.863 -4.354 1.00 65.33 H new ATOM 0 HG21 ILE A 86 9.794 -5.257 -3.014 1.00 52.10 H new ATOM 0 HG22 ILE A 86 8.548 -5.208 -1.744 1.00 52.10 H new ATOM 0 HG23 ILE A 86 8.072 -5.359 -3.453 1.00 52.10 H new ATOM 0 HD11 ILE A 86 10.734 -3.018 -5.699 1.00 44.51 H new ATOM 0 HD12 ILE A 86 11.243 -2.936 -3.996 1.00 44.51 H new ATOM 0 HD13 ILE A 86 10.598 -4.456 -4.659 1.00 44.51 H new ATOM 1425 N PRO A 87 6.219 -4.131 -0.754 1.00 74.42 N ATOM 1426 CA PRO A 87 5.867 -4.488 0.624 1.00 43.43 C ATOM 1427 C PRO A 87 7.038 -5.108 1.378 1.00 31.25 C ATOM 1428 O PRO A 87 7.981 -5.618 0.773 1.00 42.14 O ATOM 1429 CB PRO A 87 4.741 -5.510 0.450 1.00 41.43 C ATOM 1430 CG PRO A 87 4.971 -6.101 -0.898 1.00 53.54 C ATOM 1431 CD PRO A 87 5.552 -4.998 -1.740 1.00 73.32 C ATOM 0 HA PRO A 87 5.581 -3.615 1.211 1.00 43.43 H new ATOM 0 HB2 PRO A 87 4.775 -6.273 1.228 1.00 41.43 H new ATOM 0 HB3 PRO A 87 3.762 -5.035 0.512 1.00 41.43 H new ATOM 0 HG2 PRO A 87 5.653 -6.949 -0.841 1.00 53.54 H new ATOM 0 HG3 PRO A 87 4.039 -6.470 -1.327 1.00 53.54 H new ATOM 0 HD2 PRO A 87 6.256 -5.384 -2.477 1.00 73.32 H new ATOM 0 HD3 PRO A 87 4.778 -4.461 -2.289 1.00 73.32 H new ATOM 1439 N THR A 88 6.971 -5.063 2.706 1.00 45.45 N ATOM 1440 CA THR A 88 8.026 -5.620 3.543 1.00 0.31 C ATOM 1441 C THR A 88 7.788 -7.101 3.815 1.00 52.42 C ATOM 1442 O THR A 88 6.682 -7.607 3.623 1.00 63.41 O ATOM 1443 CB THR A 88 8.130 -4.873 4.886 1.00 32.25 C ATOM 1444 OG1 THR A 88 7.247 -3.746 4.890 1.00 41.42 O ATOM 1445 CG2 THR A 88 9.556 -4.408 5.138 1.00 1.22 C ATOM 0 H THR A 88 6.197 -4.647 3.224 1.00 45.45 H new ATOM 0 HA THR A 88 8.961 -5.500 2.995 1.00 0.31 H new ATOM 0 HB THR A 88 7.843 -5.561 5.682 1.00 32.25 H new ATOM 0 HG1 THR A 88 7.532 -3.109 5.578 1.00 41.42 H new ATOM 0 HG21 THR A 88 9.604 -3.883 6.092 1.00 1.22 H new ATOM 0 HG22 THR A 88 10.221 -5.271 5.165 1.00 1.22 H new ATOM 0 HG23 THR A 88 9.866 -3.736 4.338 1.00 1.22 H new ATOM 1453 N VAL A 89 8.832 -7.791 4.263 1.00 14.34 N ATOM 1454 CA VAL A 89 8.735 -9.214 4.564 1.00 60.24 C ATOM 1455 C VAL A 89 7.549 -9.504 5.477 1.00 60.25 C ATOM 1456 O VAL A 89 6.663 -10.284 5.130 1.00 60.42 O ATOM 1457 CB VAL A 89 10.022 -9.736 5.230 1.00 13.25 C ATOM 1458 CG1 VAL A 89 9.871 -11.201 5.609 1.00 70.31 C ATOM 1459 CG2 VAL A 89 11.217 -9.534 4.311 1.00 20.24 C ATOM 0 H VAL A 89 9.755 -7.387 4.425 1.00 14.34 H new ATOM 0 HA VAL A 89 8.592 -9.729 3.614 1.00 60.24 H new ATOM 0 HB VAL A 89 10.195 -9.166 6.143 1.00 13.25 H new ATOM 0 HG11 VAL A 89 10.790 -11.552 6.078 1.00 70.31 H new ATOM 0 HG12 VAL A 89 9.042 -11.313 6.307 1.00 70.31 H new ATOM 0 HG13 VAL A 89 9.673 -11.790 4.713 1.00 70.31 H new ATOM 0 HG21 VAL A 89 12.118 -9.908 4.798 1.00 20.24 H new ATOM 0 HG22 VAL A 89 11.055 -10.077 3.380 1.00 20.24 H new ATOM 0 HG23 VAL A 89 11.335 -8.472 4.096 1.00 20.24 H new ATOM 1469 N GLU A 90 7.539 -8.870 6.645 1.00 45.12 N ATOM 1470 CA GLU A 90 6.461 -9.061 7.608 1.00 5.41 C ATOM 1471 C GLU A 90 5.100 -8.872 6.945 1.00 11.34 C ATOM 1472 O GLU A 90 4.191 -9.680 7.132 1.00 53.22 O ATOM 1473 CB GLU A 90 6.612 -8.084 8.776 1.00 5.30 C ATOM 1474 CG GLU A 90 7.416 -8.643 9.938 1.00 62.43 C ATOM 1475 CD GLU A 90 6.538 -9.234 11.024 1.00 61.23 C ATOM 1476 OE1 GLU A 90 6.088 -8.471 11.904 1.00 60.41 O ATOM 1477 OE2 GLU A 90 6.301 -10.460 10.993 1.00 60.04 O ATOM 0 H GLU A 90 8.265 -8.220 6.947 1.00 45.12 H new ATOM 0 HA GLU A 90 6.523 -10.081 7.987 1.00 5.41 H new ATOM 0 HB2 GLU A 90 7.093 -7.174 8.417 1.00 5.30 H new ATOM 0 HB3 GLU A 90 5.621 -7.802 9.133 1.00 5.30 H new ATOM 0 HG2 GLU A 90 8.096 -9.410 9.568 1.00 62.43 H new ATOM 0 HG3 GLU A 90 8.031 -7.850 10.364 1.00 62.43 H new ATOM 1484 N GLN A 91 4.969 -7.799 6.172 1.00 14.42 N ATOM 1485 CA GLN A 91 3.718 -7.503 5.483 1.00 1.30 C ATOM 1486 C GLN A 91 3.332 -8.640 4.543 1.00 22.11 C ATOM 1487 O GLN A 91 2.166 -9.028 4.468 1.00 2.43 O ATOM 1488 CB GLN A 91 3.841 -6.196 4.698 1.00 50.22 C ATOM 1489 CG GLN A 91 3.600 -4.954 5.541 1.00 20.32 C ATOM 1490 CD GLN A 91 4.253 -5.041 6.907 1.00 55.21 C ATOM 1491 OE1 GLN A 91 3.677 -5.587 7.849 1.00 44.30 O ATOM 1492 NE2 GLN A 91 5.461 -4.501 7.021 1.00 35.44 N ATOM 0 H GLN A 91 5.713 -7.121 6.007 1.00 14.42 H new ATOM 0 HA GLN A 91 2.935 -7.396 6.234 1.00 1.30 H new ATOM 0 HB2 GLN A 91 4.837 -6.139 4.258 1.00 50.22 H new ATOM 0 HB3 GLN A 91 3.128 -6.209 3.873 1.00 50.22 H new ATOM 0 HG2 GLN A 91 3.984 -4.081 5.013 1.00 20.32 H new ATOM 0 HG3 GLN A 91 2.527 -4.805 5.664 1.00 20.32 H new ATOM 0 HE21 GLN A 91 5.900 -4.059 6.214 1.00 35.44 H new ATOM 0 HE22 GLN A 91 5.950 -4.528 7.916 1.00 35.44 H new ATOM 1501 N TRP A 92 4.318 -9.170 3.828 1.00 31.02 N ATOM 1502 CA TRP A 92 4.081 -10.263 2.892 1.00 32.33 C ATOM 1503 C TRP A 92 3.630 -11.521 3.627 1.00 12.22 C ATOM 1504 O TRP A 92 2.726 -12.225 3.177 1.00 62.35 O ATOM 1505 CB TRP A 92 5.347 -10.555 2.086 1.00 23.50 C ATOM 1506 CG TRP A 92 5.110 -11.458 0.913 1.00 30.35 C ATOM 1507 CD1 TRP A 92 4.190 -11.285 -0.081 1.00 61.31 C ATOM 1508 CD2 TRP A 92 5.802 -12.675 0.615 1.00 23.41 C ATOM 1509 NE1 TRP A 92 4.269 -12.322 -0.980 1.00 10.32 N ATOM 1510 CE2 TRP A 92 5.251 -13.187 -0.576 1.00 32.22 C ATOM 1511 CE3 TRP A 92 6.836 -13.382 1.237 1.00 53.45 C ATOM 1512 CZ2 TRP A 92 5.698 -14.372 -1.154 1.00 24.10 C ATOM 1513 CZ3 TRP A 92 7.279 -14.558 0.662 1.00 55.44 C ATOM 1514 CH2 TRP A 92 6.711 -15.043 -0.524 1.00 42.01 C ATOM 0 H TRP A 92 5.289 -8.861 3.878 1.00 31.02 H new ATOM 0 HA TRP A 92 3.287 -9.959 2.210 1.00 32.33 H new ATOM 0 HB2 TRP A 92 5.768 -9.614 1.732 1.00 23.50 H new ATOM 0 HB3 TRP A 92 6.089 -11.010 2.742 1.00 23.50 H new ATOM 0 HD1 TRP A 92 3.502 -10.456 -0.151 1.00 61.31 H new ATOM 0 HE1 TRP A 92 3.690 -12.430 -1.813 1.00 10.32 H new ATOM 0 HE3 TRP A 92 7.280 -13.015 2.151 1.00 53.45 H new ATOM 0 HZ2 TRP A 92 5.261 -14.748 -2.067 1.00 24.10 H new ATOM 0 HZ3 TRP A 92 8.076 -15.113 1.134 1.00 55.44 H new ATOM 0 HH2 TRP A 92 7.080 -15.965 -0.949 1.00 42.01 H new ATOM 1525 N LYS A 93 4.264 -11.798 4.761 1.00 1.34 N ATOM 1526 CA LYS A 93 3.927 -12.970 5.560 1.00 4.15 C ATOM 1527 C LYS A 93 2.490 -12.890 6.064 1.00 32.32 C ATOM 1528 O LYS A 93 1.746 -13.870 6.005 1.00 3.22 O ATOM 1529 CB LYS A 93 4.888 -13.098 6.745 1.00 33.11 C ATOM 1530 CG LYS A 93 6.351 -13.135 6.340 1.00 23.04 C ATOM 1531 CD LYS A 93 6.816 -14.554 6.059 1.00 43.12 C ATOM 1532 CE LYS A 93 7.318 -14.703 4.631 1.00 45.11 C ATOM 1533 NZ LYS A 93 8.667 -14.097 4.451 1.00 11.10 N ATOM 0 H LYS A 93 5.015 -11.226 5.148 1.00 1.34 H new ATOM 0 HA LYS A 93 4.022 -13.851 4.925 1.00 4.15 H new ATOM 0 HB2 LYS A 93 4.729 -12.260 7.423 1.00 33.11 H new ATOM 0 HB3 LYS A 93 4.650 -14.006 7.299 1.00 33.11 H new ATOM 0 HG2 LYS A 93 6.499 -12.520 5.452 1.00 23.04 H new ATOM 0 HG3 LYS A 93 6.960 -12.702 7.133 1.00 23.04 H new ATOM 0 HD2 LYS A 93 7.611 -14.822 6.755 1.00 43.12 H new ATOM 0 HD3 LYS A 93 5.994 -15.248 6.231 1.00 43.12 H new ATOM 0 HE2 LYS A 93 7.357 -15.760 4.368 1.00 45.11 H new ATOM 0 HE3 LYS A 93 6.613 -14.230 3.947 1.00 45.11 H new ATOM 0 HZ1 LYS A 93 8.662 -13.483 3.612 1.00 11.10 H new ATOM 0 HZ2 LYS A 93 8.910 -13.534 5.291 1.00 11.10 H new ATOM 0 HZ3 LYS A 93 9.372 -14.851 4.324 1.00 11.10 H new ATOM 1547 N ASP A 94 2.105 -11.719 6.558 1.00 52.43 N ATOM 1548 CA ASP A 94 0.755 -11.511 7.069 1.00 1.33 C ATOM 1549 C ASP A 94 -0.276 -11.653 5.954 1.00 35.05 C ATOM 1550 O ASP A 94 -1.293 -12.326 6.120 1.00 73.20 O ATOM 1551 CB ASP A 94 0.639 -10.129 7.715 1.00 32.23 C ATOM 1552 CG ASP A 94 -0.780 -9.808 8.143 1.00 42.42 C ATOM 1553 OD1 ASP A 94 -1.376 -10.621 8.879 1.00 71.23 O ATOM 1554 OD2 ASP A 94 -1.294 -8.743 7.741 1.00 50.33 O ATOM 0 H ASP A 94 2.709 -10.899 6.616 1.00 52.43 H new ATOM 0 HA ASP A 94 0.556 -12.274 7.822 1.00 1.33 H new ATOM 0 HB2 ASP A 94 1.297 -10.080 8.583 1.00 32.23 H new ATOM 0 HB3 ASP A 94 0.983 -9.372 7.011 1.00 32.23 H new ATOM 1559 N GLN A 95 -0.007 -11.014 4.821 1.00 40.03 N ATOM 1560 CA GLN A 95 -0.913 -11.068 3.680 1.00 72.53 C ATOM 1561 C GLN A 95 -1.146 -12.509 3.237 1.00 23.54 C ATOM 1562 O GLN A 95 -2.286 -12.962 3.131 1.00 52.45 O ATOM 1563 CB GLN A 95 -0.352 -10.250 2.516 1.00 43.30 C ATOM 1564 CG GLN A 95 -0.225 -8.766 2.822 1.00 42.15 C ATOM 1565 CD GLN A 95 0.912 -8.109 2.063 1.00 31.14 C ATOM 1566 OE1 GLN A 95 1.472 -8.692 1.135 1.00 43.35 O ATOM 1567 NE2 GLN A 95 1.259 -6.889 2.456 1.00 32.03 N ATOM 0 H GLN A 95 0.831 -10.453 4.668 1.00 40.03 H new ATOM 0 HA GLN A 95 -1.868 -10.642 3.987 1.00 72.53 H new ATOM 0 HB2 GLN A 95 0.629 -10.642 2.246 1.00 43.30 H new ATOM 0 HB3 GLN A 95 -0.997 -10.380 1.647 1.00 43.30 H new ATOM 0 HG2 GLN A 95 -1.161 -8.266 2.572 1.00 42.15 H new ATOM 0 HG3 GLN A 95 -0.068 -8.632 3.892 1.00 42.15 H new ATOM 0 HE21 GLN A 95 0.767 -6.443 3.230 1.00 32.03 H new ATOM 0 HE22 GLN A 95 2.018 -6.397 1.983 1.00 32.03 H new ATOM 1576 N THR A 96 -0.057 -13.228 2.981 1.00 43.43 N ATOM 1577 CA THR A 96 -0.142 -14.617 2.548 1.00 3.15 C ATOM 1578 C THR A 96 -0.828 -15.479 3.602 1.00 63.33 C ATOM 1579 O THR A 96 -1.712 -16.275 3.286 1.00 74.13 O ATOM 1580 CB THR A 96 1.253 -15.200 2.253 1.00 3.32 C ATOM 1581 OG1 THR A 96 2.185 -14.769 3.251 1.00 24.02 O ATOM 1582 CG2 THR A 96 1.740 -14.768 0.878 1.00 72.52 C ATOM 0 H THR A 96 0.895 -12.871 3.066 1.00 43.43 H new ATOM 0 HA THR A 96 -0.733 -14.628 1.632 1.00 3.15 H new ATOM 0 HB THR A 96 1.179 -16.287 2.270 1.00 3.32 H new ATOM 0 HG1 THR A 96 2.617 -13.939 2.959 1.00 24.02 H new ATOM 0 HG21 THR A 96 2.727 -15.192 0.692 1.00 72.52 H new ATOM 0 HG22 THR A 96 1.044 -15.122 0.118 1.00 72.52 H new ATOM 0 HG23 THR A 96 1.799 -13.680 0.838 1.00 72.52 H new ATOM 1941 N PHE B -7 10.225 -16.051 7.796 1.00 74.05 N ATOM 1942 CA PHE B -7 11.604 -15.973 7.329 1.00 50.42 C ATOM 1943 C PHE B -7 12.463 -15.173 8.303 1.00 3.54 C ATOM 1944 O PHE B -7 13.297 -15.732 9.016 1.00 63.44 O ATOM 1945 CB PHE B -7 11.659 -15.334 5.940 1.00 41.44 C ATOM 1946 CG PHE B -7 11.275 -16.273 4.832 1.00 2.21 C ATOM 1947 CD1 PHE B -7 10.022 -16.863 4.809 1.00 13.44 C ATOM 1948 CD2 PHE B -7 12.168 -16.565 3.813 1.00 33.35 C ATOM 1949 CE1 PHE B -7 9.666 -17.728 3.792 1.00 44.21 C ATOM 1950 CE2 PHE B -7 11.818 -17.429 2.793 1.00 72.50 C ATOM 1951 CZ PHE B -7 10.565 -18.011 2.782 1.00 40.42 C ATOM 0 H1 PHE B -7 9.741 -16.839 7.320 1.00 74.05 H new ATOM 0 H2 PHE B -7 10.215 -16.209 8.824 1.00 74.05 H new ATOM 0 H3 PHE B -7 9.734 -15.161 7.578 1.00 74.05 H new ATOM 0 HA PHE B -7 12.000 -16.987 7.271 1.00 50.42 H new ATOM 0 HB2 PHE B -7 10.995 -14.470 5.920 1.00 41.44 H new ATOM 0 HB3 PHE B -7 12.668 -14.964 5.759 1.00 41.44 H new ATOM 0 HD1 PHE B -7 9.315 -16.644 5.595 1.00 13.44 H new ATOM 0 HD2 PHE B -7 13.148 -16.112 3.816 1.00 33.35 H new ATOM 0 HE1 PHE B -7 8.686 -18.182 3.787 1.00 44.21 H new ATOM 0 HE2 PHE B -7 12.523 -17.649 2.005 1.00 72.50 H new ATOM 0 HZ PHE B -7 10.289 -18.686 1.985 1.00 40.42 H new ATOM 1961 N ILE B -6 12.254 -13.861 8.328 1.00 15.33 N ATOM 1962 CA ILE B -6 13.008 -12.984 9.215 1.00 11.31 C ATOM 1963 C ILE B -6 14.509 -13.207 9.062 1.00 13.44 C ATOM 1964 O ILE B -6 15.152 -13.856 9.887 1.00 1.22 O ATOM 1965 CB ILE B -6 12.615 -13.200 10.689 1.00 64.35 C ATOM 1966 CG1 ILE B -6 11.093 -13.244 10.832 1.00 12.43 C ATOM 1967 CG2 ILE B -6 13.204 -12.101 11.561 1.00 63.55 C ATOM 1968 CD1 ILE B -6 10.401 -12.006 10.305 1.00 33.11 C ATOM 0 H ILE B -6 11.569 -13.382 7.744 1.00 15.33 H new ATOM 0 HA ILE B -6 12.764 -11.961 8.929 1.00 11.31 H new ATOM 0 HB ILE B -6 13.020 -14.156 11.022 1.00 64.35 H new ATOM 0 HG12 ILE B -6 10.711 -14.117 10.303 1.00 12.43 H new ATOM 0 HG13 ILE B -6 10.838 -13.373 11.884 1.00 12.43 H new ATOM 0 HG21 ILE B -6 12.917 -12.268 12.599 1.00 63.55 H new ATOM 0 HG22 ILE B -6 14.291 -12.114 11.478 1.00 63.55 H new ATOM 0 HG23 ILE B -6 12.826 -11.133 11.231 1.00 63.55 H new ATOM 0 HD11 ILE B -6 9.324 -12.106 10.439 1.00 33.11 H new ATOM 0 HD12 ILE B -6 10.754 -11.131 10.851 1.00 33.11 H new ATOM 0 HD13 ILE B -6 10.625 -11.887 9.245 1.00 33.11 H new ATOM 1980 N PRO B -5 15.082 -12.655 7.983 1.00 40.52 N ATOM 1981 CA PRO B -5 16.515 -12.777 7.697 1.00 33.24 C ATOM 1982 C PRO B -5 17.371 -11.985 8.679 1.00 42.42 C ATOM 1983 O PRO B -5 17.631 -10.799 8.474 1.00 52.11 O ATOM 1984 CB PRO B -5 16.646 -12.200 6.286 1.00 52.22 C ATOM 1985 CG PRO B -5 15.493 -11.267 6.150 1.00 55.44 C ATOM 1986 CD PRO B -5 14.376 -11.867 6.958 1.00 70.51 C ATOM 0 HA PRO B -5 16.862 -13.807 7.784 1.00 33.24 H new ATOM 0 HB2 PRO B -5 17.595 -11.678 6.158 1.00 52.22 H new ATOM 0 HB3 PRO B -5 16.610 -12.986 5.532 1.00 52.22 H new ATOM 0 HG2 PRO B -5 15.750 -10.273 6.517 1.00 55.44 H new ATOM 0 HG3 PRO B -5 15.203 -11.156 5.105 1.00 55.44 H new ATOM 0 HD2 PRO B -5 13.746 -11.098 7.405 1.00 70.51 H new ATOM 0 HD3 PRO B -5 13.728 -12.494 6.345 1.00 70.51 H new ATOM 1994 N SER B -4 17.808 -12.647 9.745 1.00 30.21 N ATOM 1995 CA SER B -4 18.633 -12.003 10.760 1.00 30.14 C ATOM 1996 C SER B -4 20.114 -12.267 10.505 1.00 52.13 C ATOM 1997 O SER B -4 20.921 -12.292 11.434 1.00 35.23 O ATOM 1998 CB SER B -4 18.247 -12.503 12.154 1.00 64.21 C ATOM 1999 OG SER B -4 16.998 -13.171 12.128 1.00 15.44 O ATOM 0 H SER B -4 17.604 -13.630 9.928 1.00 30.21 H new ATOM 0 HA SER B -4 18.459 -10.928 10.706 1.00 30.14 H new ATOM 0 HB2 SER B -4 19.017 -13.179 12.528 1.00 64.21 H new ATOM 0 HB3 SER B -4 18.199 -11.662 12.845 1.00 64.21 H new ATOM 0 HG SER B -4 16.775 -13.482 13.030 1.00 15.44 H new ATOM 2005 N ARG B -3 20.463 -12.463 9.238 1.00 42.15 N ATOM 2006 CA ARG B -3 21.846 -12.726 8.858 1.00 21.13 C ATOM 2007 C ARG B -3 22.588 -11.424 8.570 1.00 71.34 C ATOM 2008 O ARG B -3 21.986 -10.387 8.291 1.00 42.02 O ATOM 2009 CB ARG B -3 21.896 -13.637 7.630 1.00 31.13 C ATOM 2010 CG ARG B -3 20.740 -14.621 7.555 1.00 71.14 C ATOM 2011 CD ARG B -3 20.748 -15.582 8.733 1.00 64.31 C ATOM 2012 NE ARG B -3 19.496 -15.541 9.482 1.00 14.33 N ATOM 2013 CZ ARG B -3 19.175 -16.418 10.427 1.00 0.42 C ATOM 2014 NH1 ARG B -3 20.011 -17.399 10.737 1.00 42.21 N ATOM 2015 NH2 ARG B -3 18.016 -16.314 11.065 1.00 41.41 N ATOM 0 H ARG B -3 19.807 -12.445 8.457 1.00 42.15 H new ATOM 0 HA ARG B -3 22.337 -13.226 9.693 1.00 21.13 H new ATOM 0 HB2 ARG B -3 21.897 -13.021 6.731 1.00 31.13 H new ATOM 0 HB3 ARG B -3 22.834 -14.192 7.637 1.00 31.13 H new ATOM 0 HG2 ARG B -3 19.797 -14.075 7.536 1.00 71.14 H new ATOM 0 HG3 ARG B -3 20.801 -15.185 6.624 1.00 71.14 H new ATOM 0 HD2 ARG B -3 20.921 -16.596 8.372 1.00 64.31 H new ATOM 0 HD3 ARG B -3 21.576 -15.334 9.397 1.00 64.31 H new ATOM 0 HE ARG B -3 18.831 -14.798 9.268 1.00 14.33 H new ATOM 0 HH11 ARG B -3 20.903 -17.482 10.250 1.00 42.21 H new ATOM 0 HH12 ARG B -3 19.762 -18.071 11.463 1.00 42.21 H new ATOM 0 HH21 ARG B -3 17.370 -15.560 10.830 1.00 41.41 H new ATOM 0 HH22 ARG B -3 17.771 -16.988 11.790 1.00 41.41 H new ATOM 2029 N PRO B -2 23.926 -11.478 8.638 1.00 44.00 N ATOM 2030 CA PRO B -2 24.779 -10.312 8.387 1.00 22.33 C ATOM 2031 C PRO B -2 24.773 -9.894 6.921 1.00 61.21 C ATOM 2032 O PRO B -2 25.275 -10.614 6.058 1.00 21.34 O ATOM 2033 CB PRO B -2 26.172 -10.796 8.800 1.00 74.34 C ATOM 2034 CG PRO B -2 26.121 -12.276 8.638 1.00 23.43 C ATOM 2035 CD PRO B -2 24.710 -12.681 8.965 1.00 43.12 C ATOM 0 HA PRO B -2 24.439 -9.433 8.934 1.00 22.33 H new ATOM 0 HB2 PRO B -2 26.947 -10.355 8.172 1.00 74.34 H new ATOM 0 HB3 PRO B -2 26.399 -10.518 9.829 1.00 74.34 H new ATOM 0 HG2 PRO B -2 26.384 -12.566 7.621 1.00 23.43 H new ATOM 0 HG3 PRO B -2 26.832 -12.766 9.304 1.00 23.43 H new ATOM 0 HD2 PRO B -2 24.392 -13.541 8.375 1.00 43.12 H new ATOM 0 HD3 PRO B -2 24.604 -12.957 10.014 1.00 43.12 H new ATOM 2043 N ALA B -1 24.202 -8.726 6.646 1.00 61.13 N ATOM 2044 CA ALA B -1 24.133 -8.211 5.284 1.00 63.43 C ATOM 2045 C ALA B -1 25.505 -8.233 4.619 1.00 64.44 C ATOM 2046 O ALA B -1 26.400 -7.459 4.959 1.00 15.43 O ATOM 2047 CB ALA B -1 23.566 -6.800 5.281 1.00 12.30 C ATOM 0 H ALA B -1 23.780 -8.118 7.348 1.00 61.13 H new ATOM 0 HA ALA B -1 23.469 -8.858 4.711 1.00 63.43 H new ATOM 0 HB1 ALA B -1 23.520 -6.428 4.257 1.00 12.30 H new ATOM 0 HB2 ALA B -1 22.563 -6.810 5.708 1.00 12.30 H new ATOM 0 HB3 ALA B -1 24.207 -6.149 5.875 1.00 12.30 H new ATOM 2053 N PRO B 0 25.678 -9.142 3.647 1.00 5.21 N ATOM 2054 CA PRO B 0 26.940 -9.286 2.914 1.00 33.41 C ATOM 2055 C PRO B 0 27.213 -8.104 1.991 1.00 13.54 C ATOM 2056 O PRO B 0 26.288 -7.504 1.443 1.00 13.43 O ATOM 2057 CB PRO B 0 26.731 -10.564 2.098 1.00 61.42 C ATOM 2058 CG PRO B 0 25.254 -10.673 1.935 1.00 22.23 C ATOM 2059 CD PRO B 0 24.656 -10.098 3.189 1.00 1.51 C ATOM 0 HA PRO B 0 27.798 -9.327 3.584 1.00 33.41 H new ATOM 0 HB2 PRO B 0 27.232 -10.503 1.132 1.00 61.42 H new ATOM 0 HB3 PRO B 0 27.138 -11.434 2.614 1.00 61.42 H new ATOM 0 HG2 PRO B 0 24.917 -10.125 1.055 1.00 22.23 H new ATOM 0 HG3 PRO B 0 24.952 -11.711 1.799 1.00 22.23 H new ATOM 0 HD2 PRO B 0 23.704 -9.605 2.991 1.00 1.51 H new ATOM 0 HD3 PRO B 0 24.466 -10.870 3.934 1.00 1.51 H new ATOM 2067 N LYS B 1 28.489 -7.773 1.823 1.00 55.31 N ATOM 2068 CA LYS B 1 28.885 -6.662 0.965 1.00 73.41 C ATOM 2069 C LYS B 1 29.297 -7.162 -0.416 1.00 21.20 C ATOM 2070 O LYS B 1 29.613 -8.336 -0.609 1.00 31.42 O ATOM 2071 CB LYS B 1 30.038 -5.884 1.603 1.00 72.23 C ATOM 2072 CG LYS B 1 29.583 -4.716 2.460 1.00 55.12 C ATOM 2073 CD LYS B 1 30.759 -3.874 2.926 1.00 72.25 C ATOM 2074 CE LYS B 1 30.338 -2.866 3.984 1.00 42.34 C ATOM 2075 NZ LYS B 1 31.483 -2.029 4.438 1.00 21.04 N ATOM 0 H LYS B 1 29.267 -8.258 2.270 1.00 55.31 H new ATOM 0 HA LYS B 1 28.027 -5.999 0.851 1.00 73.41 H new ATOM 0 HB2 LYS B 1 30.629 -6.565 2.216 1.00 72.23 H new ATOM 0 HB3 LYS B 1 30.694 -5.512 0.816 1.00 72.23 H new ATOM 0 HG2 LYS B 1 28.892 -4.094 1.891 1.00 55.12 H new ATOM 0 HG3 LYS B 1 29.037 -5.090 3.326 1.00 55.12 H new ATOM 0 HD2 LYS B 1 31.536 -4.524 3.329 1.00 72.25 H new ATOM 0 HD3 LYS B 1 31.193 -3.350 2.074 1.00 72.25 H new ATOM 0 HE2 LYS B 1 29.555 -2.223 3.582 1.00 42.34 H new ATOM 0 HE3 LYS B 1 29.911 -3.392 4.838 1.00 42.34 H new ATOM 0 HZ1 LYS B 1 31.156 -1.355 5.159 1.00 21.04 H new ATOM 0 HZ2 LYS B 1 32.220 -2.640 4.845 1.00 21.04 H new ATOM 0 HZ3 LYS B 1 31.874 -1.507 3.628 1.00 21.04 H new ATOM 2089 N PRO B 2 29.296 -6.251 -1.401 1.00 24.35 N ATOM 2090 CA PRO B 2 29.670 -6.577 -2.780 1.00 42.52 C ATOM 2091 C PRO B 2 31.159 -6.873 -2.923 1.00 21.32 C ATOM 2092 O PRO B 2 31.956 -6.620 -2.019 1.00 64.53 O ATOM 2093 CB PRO B 2 29.301 -5.310 -3.556 1.00 12.32 C ATOM 2094 CG PRO B 2 29.359 -4.216 -2.545 1.00 71.45 C ATOM 2095 CD PRO B 2 28.931 -4.833 -1.243 1.00 23.54 C ATOM 0 HA PRO B 2 29.166 -7.475 -3.137 1.00 42.52 H new ATOM 0 HB2 PRO B 2 29.998 -5.130 -4.375 1.00 12.32 H new ATOM 0 HB3 PRO B 2 28.307 -5.390 -3.996 1.00 12.32 H new ATOM 0 HG2 PRO B 2 30.366 -3.807 -2.470 1.00 71.45 H new ATOM 0 HG3 PRO B 2 28.700 -3.393 -2.822 1.00 71.45 H new ATOM 0 HD2 PRO B 2 29.443 -4.378 -0.395 1.00 23.54 H new ATOM 0 HD3 PRO B 2 27.861 -4.710 -1.072 1.00 23.54 H new ATOM 2103 N PRO B 3 31.545 -7.422 -4.084 1.00 63.31 N ATOM 2104 CA PRO B 3 32.941 -7.764 -4.372 1.00 63.34 C ATOM 2105 C PRO B 3 33.816 -6.528 -4.553 1.00 75.03 C ATOM 2106 O PRO B 3 33.657 -5.780 -5.518 1.00 3.11 O ATOM 2107 CB PRO B 3 32.850 -8.551 -5.682 1.00 64.22 C ATOM 2108 CG PRO B 3 31.598 -8.069 -6.328 1.00 14.31 C ATOM 2109 CD PRO B 3 30.649 -7.751 -5.205 1.00 40.23 C ATOM 0 HA PRO B 3 33.401 -8.320 -3.555 1.00 63.34 H new ATOM 0 HB2 PRO B 3 33.718 -8.367 -6.315 1.00 64.22 H new ATOM 0 HB3 PRO B 3 32.812 -9.624 -5.497 1.00 64.22 H new ATOM 0 HG2 PRO B 3 31.789 -7.187 -6.939 1.00 14.31 H new ATOM 0 HG3 PRO B 3 31.181 -8.830 -6.988 1.00 14.31 H new ATOM 0 HD2 PRO B 3 29.995 -6.915 -5.456 1.00 40.23 H new ATOM 0 HD3 PRO B 3 30.006 -8.599 -4.970 1.00 40.23 H new