USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 803 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 66 MET CE :methyl 152:sc= 0 (180deg=-0.057) USER MOD Set 1.2: A 85 MET CE :methyl -108:sc= -2.61! (180deg=-4.38!) USER MOD Set 2.1: A 31 LYS NZ :NH3+ -145:sc= 0.241 (180deg=-0.0218) USER MOD Set 2.2: A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 135:sc= 0.131 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -0.491 X(o=-0.49,f=0) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.185 X(o=-0.18,f=-0.32) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.138 USER MOD Single : A 35 THR OG1 : rot 120:sc= -0.77 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.718 K(o=-0.72,f=-2.4) USER MOD Single : A 46 MET CE :methyl 160:sc= -0.978 (180deg=-2.27!) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN : amide:sc= -0.356 X(o=-0.36,f=-0.25) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 50:sc= 0.273 USER MOD Single : A 65 THR OG1 : rot 95:sc= 1.23 USER MOD Single : A 71 MET CE :methyl 145:sc= -3.57 (180deg=-9.29!) USER MOD Single : A 76 THR OG1 : rot -7:sc= 1.13 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= 0.681 K(o=0.68,f=-0.042) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 MET CE :methyl -167:sc= -4.32 (180deg=-5.09!) USER MOD Single : A 95 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.81) USER MOD Single : A 108 SER OG : rot 100:sc= -1.5 USER MOD ----------------------------------------------------------------- ATOM 48 N LYS A 4 10.436 -3.477 -1.659 1.00 74.23 N ATOM 49 CA LYS A 4 11.502 -4.238 -2.298 1.00 53.11 C ATOM 50 C LYS A 4 11.232 -5.737 -2.204 1.00 23.13 C ATOM 51 O LYS A 4 11.100 -6.418 -3.220 1.00 33.14 O ATOM 52 CB LYS A 4 12.850 -3.911 -1.651 1.00 4.34 C ATOM 53 CG LYS A 4 13.173 -2.426 -1.637 1.00 14.11 C ATOM 54 CD LYS A 4 13.295 -1.869 -3.045 1.00 62.11 C ATOM 55 CE LYS A 4 12.126 -0.958 -3.388 1.00 4.50 C ATOM 56 NZ LYS A 4 12.319 -0.277 -4.698 1.00 25.42 N1+ ATOM 0 HA LYS A 4 11.534 -3.957 -3.351 1.00 53.11 H new ATOM 0 HB2 LYS A 4 12.852 -4.285 -0.627 1.00 4.34 H new ATOM 0 HB3 LYS A 4 13.638 -4.441 -2.186 1.00 4.34 H new ATOM 0 HG2 LYS A 4 12.393 -1.888 -1.098 1.00 14.11 H new ATOM 0 HG3 LYS A 4 14.105 -2.261 -1.097 1.00 14.11 H new ATOM 0 HD2 LYS A 4 14.229 -1.315 -3.138 1.00 62.11 H new ATOM 0 HD3 LYS A 4 13.339 -2.691 -3.760 1.00 62.11 H new ATOM 0 HE2 LYS A 4 11.206 -1.542 -3.414 1.00 4.50 H new ATOM 0 HE3 LYS A 4 12.006 -0.210 -2.604 1.00 4.50 H new ATOM 0 HZ1 LYS A 4 11.501 0.334 -4.895 1.00 25.42 H new ATOM 0 HZ2 LYS A 4 13.183 0.301 -4.665 1.00 25.42 H new ATOM 0 HZ3 LYS A 4 12.408 -0.990 -5.450 1.00 25.42 H new ATOM 70 N SER A 5 11.150 -6.243 -0.977 1.00 45.41 N ATOM 71 CA SER A 5 10.897 -7.661 -0.751 1.00 45.22 C ATOM 72 C SER A 5 9.785 -8.168 -1.664 1.00 54.53 C ATOM 73 O SER A 5 9.792 -9.324 -2.087 1.00 44.30 O ATOM 74 CB SER A 5 10.524 -7.907 0.712 1.00 53.55 C ATOM 75 OG SER A 5 10.796 -6.766 1.507 1.00 22.21 O ATOM 0 H SER A 5 11.255 -5.692 -0.125 1.00 45.41 H new ATOM 0 HA SER A 5 11.810 -8.209 -0.983 1.00 45.22 H new ATOM 0 HB2 SER A 5 9.466 -8.160 0.783 1.00 53.55 H new ATOM 0 HB3 SER A 5 11.082 -8.762 1.094 1.00 53.55 H new ATOM 0 HG SER A 5 10.036 -6.593 2.102 1.00 22.21 H new ATOM 81 N ASP A 6 8.830 -7.295 -1.962 1.00 52.44 N ATOM 82 CA ASP A 6 7.711 -7.651 -2.826 1.00 71.01 C ATOM 83 C ASP A 6 8.206 -8.212 -4.155 1.00 21.35 C ATOM 84 O ASP A 6 7.761 -9.271 -4.596 1.00 22.51 O ATOM 85 CB ASP A 6 6.820 -6.432 -3.073 1.00 22.02 C ATOM 86 CG ASP A 6 5.392 -6.815 -3.404 1.00 15.21 C ATOM 87 OD1 ASP A 6 5.187 -7.530 -4.407 1.00 45.13 O1- ATOM 88 OD2 ASP A 6 4.478 -6.399 -2.661 1.00 43.34 O ATOM 0 H ASP A 6 8.808 -6.335 -1.618 1.00 52.44 H new ATOM 0 HA ASP A 6 7.127 -8.421 -2.322 1.00 71.01 H new ATOM 0 HB2 ASP A 6 6.826 -5.796 -2.188 1.00 22.02 H new ATOM 0 HB3 ASP A 6 7.234 -5.843 -3.892 1.00 22.02 H new ATOM 93 N GLU A 7 9.129 -7.494 -4.787 1.00 34.23 N ATOM 94 CA GLU A 7 9.683 -7.921 -6.066 1.00 34.02 C ATOM 95 C GLU A 7 10.203 -9.354 -5.984 1.00 65.44 C ATOM 96 O GLU A 7 10.061 -10.133 -6.926 1.00 4.31 O ATOM 97 CB GLU A 7 10.812 -6.982 -6.497 1.00 60.23 C ATOM 98 CG GLU A 7 11.065 -6.982 -7.995 1.00 53.31 C ATOM 99 CD GLU A 7 12.108 -5.964 -8.410 1.00 52.50 C ATOM 100 OE1 GLU A 7 12.007 -4.798 -7.973 1.00 23.23 O1- ATOM 101 OE2 GLU A 7 13.026 -6.332 -9.173 1.00 42.03 O ATOM 0 H GLU A 7 9.508 -6.615 -4.435 1.00 34.23 H new ATOM 0 HA GLU A 7 8.885 -7.884 -6.808 1.00 34.02 H new ATOM 0 HB2 GLU A 7 10.572 -5.968 -6.178 1.00 60.23 H new ATOM 0 HB3 GLU A 7 11.729 -7.269 -5.982 1.00 60.23 H new ATOM 0 HG2 GLU A 7 11.389 -7.976 -8.305 1.00 53.31 H new ATOM 0 HG3 GLU A 7 10.131 -6.774 -8.517 1.00 53.31 H new ATOM 108 N VAL A 8 10.805 -9.694 -4.849 1.00 74.30 N ATOM 109 CA VAL A 8 11.345 -11.033 -4.642 1.00 35.34 C ATOM 110 C VAL A 8 10.308 -12.101 -4.971 1.00 41.31 C ATOM 111 O VAL A 8 10.508 -12.920 -5.869 1.00 60.20 O ATOM 112 CB VAL A 8 11.822 -11.227 -3.190 1.00 62.21 C ATOM 113 CG1 VAL A 8 12.371 -12.631 -2.992 1.00 15.23 C ATOM 114 CG2 VAL A 8 12.866 -10.182 -2.829 1.00 74.14 C ATOM 0 H VAL A 8 10.931 -9.061 -4.059 1.00 74.30 H new ATOM 0 HA VAL A 8 12.197 -11.138 -5.314 1.00 35.34 H new ATOM 0 HB VAL A 8 10.968 -11.099 -2.525 1.00 62.21 H new ATOM 0 HG11 VAL A 8 12.703 -12.750 -1.961 1.00 15.23 H new ATOM 0 HG12 VAL A 8 11.591 -13.361 -3.208 1.00 15.23 H new ATOM 0 HG13 VAL A 8 13.213 -12.791 -3.665 1.00 15.23 H new ATOM 0 HG21 VAL A 8 13.192 -10.334 -1.800 1.00 74.14 H new ATOM 0 HG22 VAL A 8 13.721 -10.276 -3.498 1.00 74.14 H new ATOM 0 HG23 VAL A 8 12.434 -9.186 -2.930 1.00 74.14 H new ATOM 124 N PHE A 9 9.199 -12.087 -4.239 1.00 5.40 N ATOM 125 CA PHE A 9 8.129 -13.055 -4.453 1.00 4.42 C ATOM 126 C PHE A 9 7.749 -13.127 -5.928 1.00 14.12 C ATOM 127 O PHE A 9 7.631 -14.212 -6.498 1.00 72.03 O ATOM 128 CB PHE A 9 6.904 -12.687 -3.614 1.00 14.30 C ATOM 129 CG PHE A 9 7.209 -12.507 -2.154 1.00 1.13 C ATOM 130 CD1 PHE A 9 7.286 -13.603 -1.310 1.00 64.03 C ATOM 131 CD2 PHE A 9 7.416 -11.244 -1.626 1.00 71.40 C ATOM 132 CE1 PHE A 9 7.567 -13.442 0.034 1.00 45.45 C ATOM 133 CE2 PHE A 9 7.696 -11.076 -0.283 1.00 70.23 C ATOM 134 CZ PHE A 9 7.770 -12.176 0.548 1.00 3.11 C ATOM 0 H PHE A 9 9.018 -11.416 -3.492 1.00 5.40 H new ATOM 0 HA PHE A 9 8.491 -14.035 -4.142 1.00 4.42 H new ATOM 0 HB2 PHE A 9 6.471 -11.765 -4.003 1.00 14.30 H new ATOM 0 HB3 PHE A 9 6.150 -13.466 -3.726 1.00 14.30 H new ATOM 0 HD1 PHE A 9 7.125 -14.595 -1.707 1.00 64.03 H new ATOM 0 HD2 PHE A 9 7.358 -10.380 -2.271 1.00 71.40 H new ATOM 0 HE1 PHE A 9 7.628 -14.305 0.681 1.00 45.45 H new ATOM 0 HE2 PHE A 9 7.857 -10.085 0.116 1.00 70.23 H new ATOM 0 HZ PHE A 9 7.986 -12.047 1.598 1.00 3.11 H new ATOM 144 N ALA A 10 7.555 -11.963 -6.540 1.00 54.15 N ATOM 145 CA ALA A 10 7.188 -11.893 -7.949 1.00 71.40 C ATOM 146 C ALA A 10 8.242 -12.559 -8.825 1.00 23.42 C ATOM 147 O ALA A 10 7.917 -13.327 -9.732 1.00 32.34 O ATOM 148 CB ALA A 10 6.988 -10.445 -8.370 1.00 11.12 C ATOM 0 H ALA A 10 7.646 -11.056 -6.082 1.00 54.15 H new ATOM 0 HA ALA A 10 6.250 -12.432 -8.082 1.00 71.40 H new ATOM 0 HB1 ALA A 10 6.714 -10.407 -9.424 1.00 11.12 H new ATOM 0 HB2 ALA A 10 6.193 -9.999 -7.772 1.00 11.12 H new ATOM 0 HB3 ALA A 10 7.913 -9.890 -8.215 1.00 11.12 H new ATOM 154 N LYS A 11 9.507 -12.262 -8.550 1.00 53.04 N ATOM 155 CA LYS A 11 10.612 -12.833 -9.312 1.00 71.11 C ATOM 156 C LYS A 11 10.569 -14.357 -9.274 1.00 34.23 C ATOM 157 O LYS A 11 10.598 -15.014 -10.316 1.00 35.32 O ATOM 158 CB LYS A 11 11.951 -12.337 -8.760 1.00 75.32 C ATOM 159 CG LYS A 11 12.251 -10.888 -9.106 1.00 51.04 C ATOM 160 CD LYS A 11 12.400 -10.693 -10.605 1.00 31.12 C ATOM 161 CE LYS A 11 11.221 -9.930 -11.188 1.00 2.51 C ATOM 162 NZ LYS A 11 11.276 -9.874 -12.675 1.00 32.05 N1+ ATOM 0 H LYS A 11 9.793 -11.628 -7.804 1.00 53.04 H new ATOM 0 HA LYS A 11 10.511 -12.509 -10.348 1.00 71.11 H new ATOM 0 HB2 LYS A 11 11.952 -12.451 -7.676 1.00 75.32 H new ATOM 0 HB3 LYS A 11 12.751 -12.968 -9.148 1.00 75.32 H new ATOM 0 HG2 LYS A 11 11.450 -10.250 -8.733 1.00 51.04 H new ATOM 0 HG3 LYS A 11 13.167 -10.575 -8.605 1.00 51.04 H new ATOM 0 HD2 LYS A 11 13.323 -10.152 -10.813 1.00 31.12 H new ATOM 0 HD3 LYS A 11 12.483 -11.664 -11.093 1.00 31.12 H new ATOM 0 HE2 LYS A 11 10.291 -10.406 -10.877 1.00 2.51 H new ATOM 0 HE3 LYS A 11 11.210 -8.917 -10.787 1.00 2.51 H new ATOM 0 HZ1 LYS A 11 10.455 -9.346 -13.033 1.00 32.05 H new ATOM 0 HZ2 LYS A 11 12.151 -9.397 -12.972 1.00 32.05 H new ATOM 0 HZ3 LYS A 11 11.260 -10.840 -13.060 1.00 32.05 H new ATOM 176 N ILE A 12 10.496 -14.913 -8.070 1.00 21.10 N ATOM 177 CA ILE A 12 10.446 -16.359 -7.898 1.00 64.54 C ATOM 178 C ILE A 12 9.316 -16.972 -8.720 1.00 34.03 C ATOM 179 O ILE A 12 9.549 -17.831 -9.568 1.00 74.53 O ATOM 180 CB ILE A 12 10.257 -16.745 -6.419 1.00 74.10 C ATOM 181 CG1 ILE A 12 11.505 -16.384 -5.612 1.00 64.04 C ATOM 182 CG2 ILE A 12 9.949 -18.229 -6.294 1.00 5.33 C ATOM 183 CD1 ILE A 12 11.380 -16.691 -4.136 1.00 2.33 C ATOM 0 H ILE A 12 10.470 -14.384 -7.199 1.00 21.10 H new ATOM 0 HA ILE A 12 11.401 -16.751 -8.248 1.00 64.54 H new ATOM 0 HB ILE A 12 9.413 -16.184 -6.017 1.00 74.10 H new ATOM 0 HG12 ILE A 12 12.359 -16.927 -6.017 1.00 64.04 H new ATOM 0 HG13 ILE A 12 11.714 -15.322 -5.737 1.00 64.04 H new ATOM 0 HG21 ILE A 12 9.818 -18.486 -5.243 1.00 5.33 H new ATOM 0 HG22 ILE A 12 9.034 -18.458 -6.840 1.00 5.33 H new ATOM 0 HG23 ILE A 12 10.774 -18.808 -6.709 1.00 5.33 H new ATOM 0 HD11 ILE A 12 12.302 -16.409 -3.626 1.00 2.33 H new ATOM 0 HD12 ILE A 12 10.547 -16.127 -3.716 1.00 2.33 H new ATOM 0 HD13 ILE A 12 11.202 -17.758 -4.000 1.00 2.33 H new ATOM 195 N ALA A 13 8.093 -16.521 -8.462 1.00 52.24 N ATOM 196 CA ALA A 13 6.928 -17.021 -9.180 1.00 63.33 C ATOM 197 C ALA A 13 7.153 -16.982 -10.688 1.00 65.53 C ATOM 198 O ALA A 13 6.958 -17.980 -11.383 1.00 52.01 O ATOM 199 CB ALA A 13 5.692 -16.214 -8.809 1.00 65.33 C ATOM 0 H ALA A 13 7.884 -15.810 -7.761 1.00 52.24 H new ATOM 0 HA ALA A 13 6.772 -18.060 -8.889 1.00 63.33 H new ATOM 0 HB1 ALA A 13 4.829 -16.599 -9.353 1.00 65.33 H new ATOM 0 HB2 ALA A 13 5.512 -16.297 -7.737 1.00 65.33 H new ATOM 0 HB3 ALA A 13 5.849 -15.168 -9.071 1.00 65.33 H new ATOM 205 N LYS A 14 7.564 -15.822 -11.190 1.00 61.31 N ATOM 206 CA LYS A 14 7.817 -15.652 -12.616 1.00 24.13 C ATOM 207 C LYS A 14 8.821 -16.685 -13.118 1.00 74.23 C ATOM 208 O LYS A 14 8.750 -17.126 -14.265 1.00 64.00 O ATOM 209 CB LYS A 14 8.339 -14.240 -12.897 1.00 55.21 C ATOM 210 CG LYS A 14 7.239 -13.200 -13.022 1.00 43.13 C ATOM 211 CD LYS A 14 7.689 -12.012 -13.855 1.00 15.10 C ATOM 212 CE LYS A 14 6.618 -11.593 -14.852 1.00 0.23 C ATOM 213 NZ LYS A 14 7.031 -11.865 -16.256 1.00 52.31 N1+ ATOM 0 H LYS A 14 7.729 -14.986 -10.630 1.00 61.31 H new ATOM 0 HA LYS A 14 6.876 -15.798 -13.146 1.00 24.13 H new ATOM 0 HB2 LYS A 14 9.017 -13.946 -12.096 1.00 55.21 H new ATOM 0 HB3 LYS A 14 8.922 -14.253 -13.818 1.00 55.21 H new ATOM 0 HG2 LYS A 14 6.359 -13.653 -13.478 1.00 43.13 H new ATOM 0 HG3 LYS A 14 6.944 -12.859 -12.029 1.00 43.13 H new ATOM 0 HD2 LYS A 14 7.924 -11.174 -13.199 1.00 15.10 H new ATOM 0 HD3 LYS A 14 8.605 -12.266 -14.388 1.00 15.10 H new ATOM 0 HE2 LYS A 14 5.692 -12.126 -14.636 1.00 0.23 H new ATOM 0 HE3 LYS A 14 6.408 -10.530 -14.735 1.00 0.23 H new ATOM 0 HZ1 LYS A 14 6.275 -11.566 -16.904 1.00 52.31 H new ATOM 0 HZ2 LYS A 14 7.901 -11.336 -16.471 1.00 52.31 H new ATOM 0 HZ3 LYS A 14 7.206 -12.883 -16.375 1.00 52.31 H new ATOM 227 N ARG A 15 9.753 -17.067 -12.251 1.00 24.20 N ATOM 228 CA ARG A 15 10.771 -18.049 -12.607 1.00 2.23 C ATOM 229 C ARG A 15 10.160 -19.441 -12.736 1.00 74.55 C ATOM 230 O ARG A 15 10.574 -20.236 -13.582 1.00 13.42 O ATOM 231 CB ARG A 15 11.884 -18.064 -11.559 1.00 52.33 C ATOM 232 CG ARG A 15 13.271 -18.267 -12.146 1.00 60.13 C ATOM 233 CD ARG A 15 13.313 -19.474 -13.070 1.00 64.22 C ATOM 234 NE ARG A 15 14.661 -20.021 -13.196 1.00 31.41 N ATOM 235 CZ ARG A 15 15.083 -20.699 -14.257 1.00 3.45 C ATOM 236 NH1 ARG A 15 14.267 -20.913 -15.279 1.00 71.10 N1+ ATOM 237 NH2 ARG A 15 16.325 -21.167 -14.296 1.00 54.20 N ATOM 0 H ARG A 15 9.824 -16.712 -11.298 1.00 24.20 H new ATOM 0 HA ARG A 15 11.194 -17.765 -13.571 1.00 2.23 H new ATOM 0 HB2 ARG A 15 11.866 -17.123 -11.009 1.00 52.33 H new ATOM 0 HB3 ARG A 15 11.683 -18.858 -10.840 1.00 52.33 H new ATOM 0 HG2 ARG A 15 13.568 -17.375 -12.697 1.00 60.13 H new ATOM 0 HG3 ARG A 15 13.993 -18.399 -11.340 1.00 60.13 H new ATOM 0 HD2 ARG A 15 12.643 -20.245 -12.689 1.00 64.22 H new ATOM 0 HD3 ARG A 15 12.944 -19.189 -14.055 1.00 64.22 H new ATOM 0 HE ARG A 15 15.314 -19.874 -12.427 1.00 31.41 H new ATOM 0 HH11 ARG A 15 13.312 -20.557 -15.252 1.00 71.10 H new ATOM 0 HH12 ARG A 15 14.594 -21.434 -16.092 1.00 71.10 H new ATOM 0 HH21 ARG A 15 16.956 -21.006 -13.511 1.00 54.20 H new ATOM 0 HH22 ARG A 15 16.648 -21.688 -15.111 1.00 54.20 H new ATOM 251 N LEU A 16 9.175 -19.731 -11.893 1.00 62.42 N ATOM 252 CA LEU A 16 8.508 -21.029 -11.913 1.00 42.54 C ATOM 253 C LEU A 16 7.726 -21.219 -13.209 1.00 3.14 C ATOM 254 O LEU A 16 7.403 -22.344 -13.589 1.00 45.05 O ATOM 255 CB LEU A 16 7.568 -21.158 -10.713 1.00 71.15 C ATOM 256 CG LEU A 16 8.077 -20.571 -9.395 1.00 53.24 C ATOM 257 CD1 LEU A 16 7.155 -20.956 -8.248 1.00 44.00 C ATOM 258 CD2 LEU A 16 9.499 -21.035 -9.118 1.00 22.33 C ATOM 0 H LEU A 16 8.820 -19.085 -11.187 1.00 62.42 H new ATOM 0 HA LEU A 16 9.272 -21.805 -11.854 1.00 42.54 H new ATOM 0 HB2 LEU A 16 6.624 -20.674 -10.963 1.00 71.15 H new ATOM 0 HB3 LEU A 16 7.353 -22.215 -10.558 1.00 71.15 H new ATOM 0 HG LEU A 16 8.082 -19.484 -9.481 1.00 53.24 H new ATOM 0 HD11 LEU A 16 7.533 -20.530 -7.319 1.00 44.00 H new ATOM 0 HD12 LEU A 16 6.153 -20.573 -8.442 1.00 44.00 H new ATOM 0 HD13 LEU A 16 7.117 -22.042 -8.160 1.00 44.00 H new ATOM 0 HD21 LEU A 16 9.844 -20.608 -8.177 1.00 22.33 H new ATOM 0 HD22 LEU A 16 9.520 -22.123 -9.052 1.00 22.33 H new ATOM 0 HD23 LEU A 16 10.153 -20.708 -9.927 1.00 22.33 H new ATOM 270 N GLU A 17 7.427 -20.113 -13.882 1.00 24.21 N ATOM 271 CA GLU A 17 6.684 -20.159 -15.135 1.00 73.03 C ATOM 272 C GLU A 17 7.368 -21.084 -16.138 1.00 53.54 C ATOM 273 O GLU A 17 6.731 -21.604 -17.054 1.00 53.11 O ATOM 274 CB GLU A 17 6.551 -18.755 -15.727 1.00 62.44 C ATOM 275 CG GLU A 17 5.946 -17.744 -14.768 1.00 32.22 C ATOM 276 CD GLU A 17 5.896 -16.344 -15.349 1.00 55.30 C ATOM 277 OE1 GLU A 17 6.634 -16.079 -16.321 1.00 71.21 O1- ATOM 278 OE2 GLU A 17 5.120 -15.515 -14.831 1.00 64.43 O ATOM 0 H GLU A 17 7.688 -19.174 -13.580 1.00 24.21 H new ATOM 0 HA GLU A 17 5.689 -20.551 -14.924 1.00 73.03 H new ATOM 0 HB2 GLU A 17 7.536 -18.405 -16.036 1.00 62.44 H new ATOM 0 HB3 GLU A 17 5.935 -18.805 -16.625 1.00 62.44 H new ATOM 0 HG2 GLU A 17 4.937 -18.059 -14.503 1.00 32.22 H new ATOM 0 HG3 GLU A 17 6.528 -17.730 -13.846 1.00 32.22 H new ATOM 285 N SER A 18 8.670 -21.283 -15.959 1.00 60.23 N ATOM 286 CA SER A 18 9.442 -22.140 -16.850 1.00 50.12 C ATOM 287 C SER A 18 9.291 -23.607 -16.460 1.00 44.52 C ATOM 288 O SER A 18 9.470 -24.503 -17.285 1.00 12.43 O ATOM 289 CB SER A 18 10.920 -21.743 -16.820 1.00 53.43 C ATOM 290 OG SER A 18 11.439 -21.613 -18.133 1.00 62.03 O ATOM 0 H SER A 18 9.212 -20.862 -15.205 1.00 60.23 H new ATOM 0 HA SER A 18 9.058 -22.010 -17.862 1.00 50.12 H new ATOM 0 HB2 SER A 18 11.036 -20.801 -16.285 1.00 53.43 H new ATOM 0 HB3 SER A 18 11.491 -22.493 -16.272 1.00 53.43 H new ATOM 0 HG SER A 18 12.384 -21.357 -18.087 1.00 62.03 H new ATOM 296 N ILE A 19 8.957 -23.844 -15.195 1.00 61.30 N ATOM 297 CA ILE A 19 8.780 -25.201 -14.694 1.00 41.24 C ATOM 298 C ILE A 19 7.874 -26.012 -15.614 1.00 31.14 C ATOM 299 O ILE A 19 6.656 -25.833 -15.617 1.00 72.51 O ATOM 300 CB ILE A 19 8.187 -25.205 -13.273 1.00 11.12 C ATOM 301 CG1 ILE A 19 9.179 -24.594 -12.282 1.00 33.03 C ATOM 302 CG2 ILE A 19 7.817 -26.621 -12.857 1.00 52.32 C ATOM 303 CD1 ILE A 19 8.626 -24.455 -10.881 1.00 70.51 C ATOM 0 H ILE A 19 8.804 -23.114 -14.499 1.00 61.30 H new ATOM 0 HA ILE A 19 9.769 -25.658 -14.666 1.00 41.24 H new ATOM 0 HB ILE A 19 7.281 -24.599 -13.271 1.00 11.12 H new ATOM 0 HG12 ILE A 19 10.076 -25.213 -12.250 1.00 33.03 H new ATOM 0 HG13 ILE A 19 9.482 -23.611 -12.643 1.00 33.03 H new ATOM 0 HG21 ILE A 19 7.399 -26.607 -11.850 1.00 52.32 H new ATOM 0 HG22 ILE A 19 7.079 -27.023 -13.551 1.00 52.32 H new ATOM 0 HG23 ILE A 19 8.708 -27.249 -12.871 1.00 52.32 H new ATOM 0 HD11 ILE A 19 9.384 -24.015 -10.233 1.00 70.51 H new ATOM 0 HD12 ILE A 19 7.746 -23.812 -10.899 1.00 70.51 H new ATOM 0 HD13 ILE A 19 8.349 -25.438 -10.500 1.00 70.51 H new ATOM 315 N ASP A 20 8.475 -26.906 -16.392 1.00 31.11 N ATOM 316 CA ASP A 20 7.721 -27.747 -17.314 1.00 60.31 C ATOM 317 C ASP A 20 7.718 -29.199 -16.846 1.00 52.22 C ATOM 318 O ASP A 20 8.705 -29.707 -16.312 1.00 2.52 O ATOM 319 CB ASP A 20 8.311 -27.653 -18.722 1.00 72.22 C ATOM 320 CG ASP A 20 7.339 -27.051 -19.717 1.00 72.21 C ATOM 321 OD1 ASP A 20 6.898 -25.903 -19.497 1.00 1.44 O ATOM 322 OD2 ASP A 20 7.021 -27.725 -20.718 1.00 54.13 O1- ATOM 0 H ASP A 20 9.482 -27.067 -16.402 1.00 31.11 H new ATOM 0 HA ASP A 20 6.692 -27.389 -17.335 1.00 60.31 H new ATOM 0 HB2 ASP A 20 9.218 -27.049 -18.693 1.00 72.22 H new ATOM 0 HB3 ASP A 20 8.601 -28.648 -19.059 1.00 72.22 H new ATOM 327 N PRO A 21 6.583 -29.885 -17.050 1.00 3.01 N ATOM 328 CA PRO A 21 6.424 -31.287 -16.655 1.00 51.32 C ATOM 329 C PRO A 21 7.263 -32.229 -17.514 1.00 31.01 C ATOM 330 O PRO A 21 7.450 -33.395 -17.170 1.00 73.52 O ATOM 331 CB PRO A 21 4.933 -31.551 -16.873 1.00 40.32 C ATOM 332 CG PRO A 21 4.522 -30.564 -17.912 1.00 41.15 C ATOM 333 CD PRO A 21 5.368 -29.343 -17.680 1.00 41.12 C ATOM 0 HA PRO A 21 6.756 -31.462 -15.632 1.00 51.32 H new ATOM 0 HB2 PRO A 21 4.757 -32.574 -17.206 1.00 40.32 H new ATOM 0 HB3 PRO A 21 4.368 -31.414 -15.951 1.00 40.32 H new ATOM 0 HG2 PRO A 21 4.680 -30.963 -18.914 1.00 41.15 H new ATOM 0 HG3 PRO A 21 3.462 -30.326 -17.827 1.00 41.15 H new ATOM 0 HD2 PRO A 21 5.595 -28.828 -18.613 1.00 41.12 H new ATOM 0 HD3 PRO A 21 4.866 -28.624 -17.033 1.00 41.12 H new ATOM 341 N ALA A 22 7.764 -31.714 -18.632 1.00 74.25 N ATOM 342 CA ALA A 22 8.585 -32.509 -19.538 1.00 71.25 C ATOM 343 C ALA A 22 9.981 -32.727 -18.965 1.00 24.44 C ATOM 344 O ALA A 22 10.771 -33.498 -19.509 1.00 64.13 O ATOM 345 CB ALA A 22 8.668 -31.837 -20.900 1.00 74.40 C ATOM 0 H ALA A 22 7.616 -30.750 -18.932 1.00 74.25 H new ATOM 0 HA ALA A 22 8.114 -33.485 -19.655 1.00 71.25 H new ATOM 0 HB1 ALA A 22 9.284 -32.441 -21.567 1.00 74.40 H new ATOM 0 HB2 ALA A 22 7.667 -31.740 -21.319 1.00 74.40 H new ATOM 0 HB3 ALA A 22 9.113 -30.848 -20.791 1.00 74.40 H new ATOM 351 N ASN A 23 10.279 -32.041 -17.867 1.00 31.42 N ATOM 352 CA ASN A 23 11.582 -32.159 -17.222 1.00 33.21 C ATOM 353 C ASN A 23 11.593 -31.432 -15.880 1.00 71.22 C ATOM 354 O ASN A 23 11.667 -30.205 -15.830 1.00 21.44 O ATOM 355 CB ASN A 23 12.676 -31.595 -18.130 1.00 24.34 C ATOM 356 CG ASN A 23 13.977 -32.367 -18.017 1.00 24.24 C ATOM 357 OD1 ASN A 23 14.547 -32.795 -19.020 1.00 64.52 O ATOM 358 ND2 ASN A 23 14.451 -32.548 -16.790 1.00 44.13 N ATOM 0 H ASN A 23 9.636 -31.398 -17.405 1.00 31.42 H new ATOM 0 HA ASN A 23 11.777 -33.216 -17.043 1.00 33.21 H new ATOM 0 HB2 ASN A 23 12.333 -31.617 -19.164 1.00 24.34 H new ATOM 0 HB3 ASN A 23 12.853 -30.550 -17.875 1.00 24.34 H new ATOM 0 HD21 ASN A 23 15.322 -33.060 -16.650 1.00 44.13 H new ATOM 0 HD22 ASN A 23 13.944 -32.175 -15.987 1.00 44.13 H new ATOM 365 N ARG A 24 11.519 -32.199 -14.798 1.00 31.34 N ATOM 366 CA ARG A 24 11.520 -31.628 -13.456 1.00 3.31 C ATOM 367 C ARG A 24 12.666 -32.196 -12.625 1.00 41.40 C ATOM 368 O ARG A 24 13.373 -33.103 -13.063 1.00 60.52 O ATOM 369 CB ARG A 24 10.185 -31.903 -12.760 1.00 43.24 C ATOM 370 CG ARG A 24 8.976 -31.464 -13.570 1.00 73.04 C ATOM 371 CD ARG A 24 8.522 -30.066 -13.180 1.00 15.52 C ATOM 372 NE ARG A 24 9.592 -29.301 -12.544 1.00 53.32 N ATOM 373 CZ ARG A 24 10.392 -28.470 -13.201 1.00 20.53 C ATOM 374 NH1 ARG A 24 10.244 -28.297 -14.508 1.00 42.41 N1+ ATOM 375 NH2 ARG A 24 11.342 -27.810 -12.553 1.00 32.13 N ATOM 0 H ARG A 24 11.458 -33.217 -14.824 1.00 31.34 H new ATOM 0 HA ARG A 24 11.659 -30.551 -13.547 1.00 3.31 H new ATOM 0 HB2 ARG A 24 10.105 -32.970 -12.553 1.00 43.24 H new ATOM 0 HB3 ARG A 24 10.174 -31.390 -11.798 1.00 43.24 H new ATOM 0 HG2 ARG A 24 9.221 -31.485 -14.632 1.00 73.04 H new ATOM 0 HG3 ARG A 24 8.159 -32.169 -13.417 1.00 73.04 H new ATOM 0 HD2 ARG A 24 8.176 -29.536 -14.068 1.00 15.52 H new ATOM 0 HD3 ARG A 24 7.673 -30.137 -12.500 1.00 15.52 H new ATOM 0 HE ARG A 24 9.732 -29.412 -11.540 1.00 53.32 H new ATOM 0 HH11 ARG A 24 9.514 -28.803 -15.010 1.00 42.41 H new ATOM 0 HH12 ARG A 24 10.860 -27.658 -15.011 1.00 42.41 H new ATOM 0 HH21 ARG A 24 11.459 -27.940 -11.548 1.00 32.13 H new ATOM 0 HH22 ARG A 24 11.956 -27.172 -13.059 1.00 32.13 H new ATOM 389 N GLN A 25 12.843 -31.655 -11.423 1.00 23.44 N ATOM 390 CA GLN A 25 13.904 -32.109 -10.531 1.00 3.41 C ATOM 391 C GLN A 25 13.332 -32.560 -9.191 1.00 43.32 C ATOM 392 O GLN A 25 13.556 -33.691 -8.757 1.00 3.03 O ATOM 393 CB GLN A 25 14.926 -30.993 -10.313 1.00 73.40 C ATOM 394 CG GLN A 25 15.595 -30.520 -11.594 1.00 65.05 C ATOM 395 CD GLN A 25 17.100 -30.699 -11.568 1.00 54.13 C ATOM 396 OE1 GLN A 25 17.642 -31.595 -12.215 1.00 72.12 O ATOM 397 NE2 GLN A 25 17.784 -29.844 -10.817 1.00 12.31 N ATOM 0 H GLN A 25 12.266 -30.903 -11.045 1.00 23.44 H new ATOM 0 HA GLN A 25 14.399 -32.960 -10.999 1.00 3.41 H new ATOM 0 HB2 GLN A 25 14.431 -30.146 -9.838 1.00 73.40 H new ATOM 0 HB3 GLN A 25 15.692 -31.344 -9.621 1.00 73.40 H new ATOM 0 HG2 GLN A 25 15.182 -31.071 -12.439 1.00 65.05 H new ATOM 0 HG3 GLN A 25 15.361 -29.468 -11.754 1.00 65.05 H new ATOM 0 HE21 GLN A 25 17.294 -29.116 -10.297 1.00 12.31 H new ATOM 0 HE22 GLN A 25 18.800 -29.915 -10.760 1.00 12.31 H new ATOM 406 N VAL A 26 12.593 -31.669 -8.538 1.00 53.35 N ATOM 407 CA VAL A 26 11.988 -31.976 -7.247 1.00 53.24 C ATOM 408 C VAL A 26 10.730 -31.147 -7.019 1.00 23.30 C ATOM 409 O VAL A 26 10.791 -29.922 -6.920 1.00 23.40 O ATOM 410 CB VAL A 26 12.974 -31.721 -6.091 1.00 62.44 C ATOM 411 CG1 VAL A 26 12.238 -31.684 -4.760 1.00 24.22 C ATOM 412 CG2 VAL A 26 14.064 -32.783 -6.078 1.00 61.33 C ATOM 0 H VAL A 26 12.399 -30.729 -8.882 1.00 53.35 H new ATOM 0 HA VAL A 26 11.725 -33.034 -7.264 1.00 53.24 H new ATOM 0 HB VAL A 26 13.445 -30.750 -6.245 1.00 62.44 H new ATOM 0 HG11 VAL A 26 12.950 -31.503 -3.955 1.00 24.22 H new ATOM 0 HG12 VAL A 26 11.497 -30.884 -4.776 1.00 24.22 H new ATOM 0 HG13 VAL A 26 11.738 -32.638 -4.594 1.00 24.22 H new ATOM 0 HG21 VAL A 26 14.752 -32.588 -5.255 1.00 61.33 H new ATOM 0 HG22 VAL A 26 13.612 -33.766 -5.948 1.00 61.33 H new ATOM 0 HG23 VAL A 26 14.609 -32.756 -7.021 1.00 61.33 H new ATOM 422 N GLU A 27 9.588 -31.825 -6.936 1.00 51.22 N ATOM 423 CA GLU A 27 8.314 -31.149 -6.719 1.00 53.14 C ATOM 424 C GLU A 27 7.798 -31.404 -5.306 1.00 20.43 C ATOM 425 O GLU A 27 7.655 -32.550 -4.882 1.00 21.25 O ATOM 426 CB GLU A 27 7.281 -31.621 -7.744 1.00 64.43 C ATOM 427 CG GLU A 27 7.763 -31.525 -9.182 1.00 1.54 C ATOM 428 CD GLU A 27 7.067 -32.514 -10.098 1.00 23.31 C ATOM 429 OE1 GLU A 27 6.016 -32.157 -10.667 1.00 13.03 O ATOM 430 OE2 GLU A 27 7.575 -33.646 -10.244 1.00 0.53 O1- ATOM 0 H GLU A 27 9.520 -32.840 -7.016 1.00 51.22 H new ATOM 0 HA GLU A 27 8.474 -30.078 -6.841 1.00 53.14 H new ATOM 0 HB2 GLU A 27 7.013 -32.655 -7.528 1.00 64.43 H new ATOM 0 HB3 GLU A 27 6.374 -31.027 -7.633 1.00 64.43 H new ATOM 0 HG2 GLU A 27 7.595 -30.513 -9.551 1.00 1.54 H new ATOM 0 HG3 GLU A 27 8.838 -31.701 -9.213 1.00 1.54 H new ATOM 437 N HIS A 28 7.519 -30.324 -4.582 1.00 1.34 N ATOM 438 CA HIS A 28 7.018 -30.428 -3.216 1.00 23.23 C ATOM 439 C HIS A 28 6.558 -29.069 -2.700 1.00 12.45 C ATOM 440 O HIS A 28 6.708 -28.053 -3.379 1.00 2.54 O ATOM 441 CB HIS A 28 8.099 -30.997 -2.296 1.00 64.15 C ATOM 442 CG HIS A 28 7.761 -32.345 -1.738 1.00 70.02 C ATOM 443 ND1 HIS A 28 6.504 -32.678 -1.280 1.00 64.13 N ATOM 444 CD2 HIS A 28 8.526 -33.449 -1.565 1.00 51.55 C ATOM 445 CE1 HIS A 28 6.510 -33.926 -0.849 1.00 15.35 C ATOM 446 NE2 HIS A 28 7.725 -34.418 -1.012 1.00 63.45 N ATOM 0 H HIS A 28 7.631 -29.368 -4.918 1.00 1.34 H new ATOM 0 HA HIS A 28 6.162 -31.103 -3.220 1.00 23.23 H new ATOM 0 HB2 HIS A 28 9.036 -31.066 -2.849 1.00 64.15 H new ATOM 0 HB3 HIS A 28 8.266 -30.303 -1.472 1.00 64.15 H new ATOM 0 HD2 HIS A 28 9.572 -33.549 -1.815 1.00 51.55 H new ATOM 0 HE1 HIS A 28 5.665 -34.455 -0.434 1.00 15.35 H new ATOM 0 HE2 HIS A 28 8.020 -35.363 -0.767 1.00 63.45 H new ATOM 454 N VAL A 29 5.995 -29.057 -1.495 1.00 54.23 N ATOM 455 CA VAL A 29 5.513 -27.821 -0.888 1.00 31.14 C ATOM 456 C VAL A 29 6.583 -27.191 -0.004 1.00 41.44 C ATOM 457 O VAL A 29 7.224 -27.874 0.794 1.00 25.11 O ATOM 458 CB VAL A 29 4.246 -28.067 -0.048 1.00 21.50 C ATOM 459 CG1 VAL A 29 3.850 -26.804 0.701 1.00 32.45 C ATOM 460 CG2 VAL A 29 3.106 -28.550 -0.932 1.00 5.11 C ATOM 0 H VAL A 29 5.862 -29.889 -0.920 1.00 54.23 H new ATOM 0 HA VAL A 29 5.272 -27.139 -1.703 1.00 31.14 H new ATOM 0 HB VAL A 29 4.462 -28.844 0.685 1.00 21.50 H new ATOM 0 HG11 VAL A 29 2.953 -26.996 1.289 1.00 32.45 H new ATOM 0 HG12 VAL A 29 4.662 -26.505 1.364 1.00 32.45 H new ATOM 0 HG13 VAL A 29 3.651 -26.005 -0.013 1.00 32.45 H new ATOM 0 HG21 VAL A 29 2.219 -28.719 -0.322 1.00 5.11 H new ATOM 0 HG22 VAL A 29 2.888 -27.796 -1.689 1.00 5.11 H new ATOM 0 HG23 VAL A 29 3.393 -29.481 -1.420 1.00 5.11 H new ATOM 470 N TYR A 30 6.768 -25.884 -0.151 1.00 54.15 N ATOM 471 CA TYR A 30 7.761 -25.160 0.634 1.00 42.42 C ATOM 472 C TYR A 30 7.118 -24.004 1.394 1.00 53.31 C ATOM 473 O TYR A 30 6.224 -23.330 0.883 1.00 71.04 O ATOM 474 CB TYR A 30 8.873 -24.631 -0.274 1.00 40.44 C ATOM 475 CG TYR A 30 9.517 -25.700 -1.127 1.00 1.42 C ATOM 476 CD1 TYR A 30 9.869 -26.931 -0.585 1.00 23.33 C ATOM 477 CD2 TYR A 30 9.777 -25.479 -2.475 1.00 63.54 C ATOM 478 CE1 TYR A 30 10.458 -27.910 -1.361 1.00 42.43 C ATOM 479 CE2 TYR A 30 10.365 -26.453 -3.258 1.00 50.54 C ATOM 480 CZ TYR A 30 10.704 -27.667 -2.697 1.00 32.12 C ATOM 481 OH TYR A 30 11.291 -28.640 -3.473 1.00 33.15 O ATOM 0 H TYR A 30 6.244 -25.304 -0.806 1.00 54.15 H new ATOM 0 HA TYR A 30 8.190 -25.853 1.358 1.00 42.42 H new ATOM 0 HB2 TYR A 30 8.463 -23.857 -0.923 1.00 40.44 H new ATOM 0 HB3 TYR A 30 9.639 -24.158 0.341 1.00 40.44 H new ATOM 0 HD1 TYR A 30 9.679 -27.125 0.460 1.00 23.33 H new ATOM 0 HD2 TYR A 30 9.515 -24.529 -2.917 1.00 63.54 H new ATOM 0 HE1 TYR A 30 10.725 -28.861 -0.924 1.00 42.43 H new ATOM 0 HE2 TYR A 30 10.558 -26.265 -4.304 1.00 50.54 H new ATOM 0 HH TYR A 30 11.393 -28.310 -4.390 1.00 33.15 H new ATOM 491 N LYS A 31 7.579 -23.782 2.620 1.00 21.53 N ATOM 492 CA LYS A 31 7.052 -22.707 3.453 1.00 33.30 C ATOM 493 C LYS A 31 8.054 -21.562 3.561 1.00 72.40 C ATOM 494 O LYS A 31 9.254 -21.785 3.721 1.00 42.23 O ATOM 495 CB LYS A 31 6.714 -23.236 4.849 1.00 30.01 C ATOM 496 CG LYS A 31 5.953 -22.241 5.708 1.00 12.24 C ATOM 497 CD LYS A 31 5.113 -22.942 6.762 1.00 72.33 C ATOM 498 CE LYS A 31 5.984 -23.628 7.804 1.00 1.42 C ATOM 499 NZ LYS A 31 5.728 -25.093 7.864 1.00 74.42 N1+ ATOM 0 H LYS A 31 8.317 -24.332 3.059 1.00 21.53 H new ATOM 0 HA LYS A 31 6.144 -22.329 2.984 1.00 33.30 H new ATOM 0 HB2 LYS A 31 6.122 -24.146 4.750 1.00 30.01 H new ATOM 0 HB3 LYS A 31 7.638 -23.511 5.358 1.00 30.01 H new ATOM 0 HG2 LYS A 31 6.657 -21.565 6.193 1.00 12.24 H new ATOM 0 HG3 LYS A 31 5.309 -21.630 5.075 1.00 12.24 H new ATOM 0 HD2 LYS A 31 4.462 -22.217 7.251 1.00 72.33 H new ATOM 0 HD3 LYS A 31 4.468 -23.679 6.284 1.00 72.33 H new ATOM 0 HE2 LYS A 31 7.034 -23.452 7.572 1.00 1.42 H new ATOM 0 HE3 LYS A 31 5.796 -23.186 8.782 1.00 1.42 H new ATOM 0 HZ1 LYS A 31 5.822 -25.422 8.846 1.00 74.42 H new ATOM 0 HZ2 LYS A 31 4.766 -25.292 7.523 1.00 74.42 H new ATOM 0 HZ3 LYS A 31 6.417 -25.591 7.265 1.00 74.42 H new ATOM 513 N PHE A 32 7.553 -20.334 3.474 1.00 21.34 N ATOM 514 CA PHE A 32 8.403 -19.153 3.563 1.00 31.43 C ATOM 515 C PHE A 32 7.859 -18.167 4.591 1.00 73.13 C ATOM 516 O PHE A 32 6.751 -17.651 4.447 1.00 30.25 O ATOM 517 CB PHE A 32 8.513 -18.473 2.196 1.00 2.44 C ATOM 518 CG PHE A 32 9.900 -18.501 1.623 1.00 52.35 C ATOM 519 CD1 PHE A 32 10.851 -17.576 2.028 1.00 34.32 C ATOM 520 CD2 PHE A 32 10.256 -19.451 0.679 1.00 25.20 C ATOM 521 CE1 PHE A 32 12.128 -17.599 1.501 1.00 31.04 C ATOM 522 CE2 PHE A 32 11.533 -19.478 0.149 1.00 15.23 C ATOM 523 CZ PHE A 32 12.470 -18.553 0.562 1.00 34.24 C ATOM 0 H PHE A 32 6.562 -20.131 3.342 1.00 21.34 H new ATOM 0 HA PHE A 32 9.394 -19.474 3.883 1.00 31.43 H new ATOM 0 HB2 PHE A 32 7.831 -18.962 1.500 1.00 2.44 H new ATOM 0 HB3 PHE A 32 8.187 -17.437 2.287 1.00 2.44 H new ATOM 0 HD1 PHE A 32 10.590 -16.829 2.764 1.00 34.32 H new ATOM 0 HD2 PHE A 32 9.528 -20.179 0.353 1.00 25.20 H new ATOM 0 HE1 PHE A 32 12.858 -16.872 1.823 1.00 31.04 H new ATOM 0 HE2 PHE A 32 11.797 -20.222 -0.588 1.00 15.23 H new ATOM 0 HZ PHE A 32 13.469 -18.575 0.152 1.00 34.24 H new ATOM 533 N ARG A 33 8.647 -17.909 5.630 1.00 2.52 N ATOM 534 CA ARG A 33 8.244 -16.986 6.685 1.00 14.43 C ATOM 535 C ARG A 33 8.850 -15.603 6.458 1.00 75.14 C ATOM 536 O ARG A 33 10.033 -15.478 6.138 1.00 61.42 O ATOM 537 CB ARG A 33 8.670 -17.523 8.052 1.00 2.14 C ATOM 538 CG ARG A 33 7.560 -18.249 8.794 1.00 20.25 C ATOM 539 CD ARG A 33 8.104 -19.409 9.614 1.00 10.22 C ATOM 540 NE ARG A 33 7.642 -19.366 10.997 1.00 11.44 N ATOM 541 CZ ARG A 33 6.422 -19.732 11.378 1.00 10.32 C ATOM 542 NH1 ARG A 33 5.548 -20.167 10.481 1.00 23.32 N1+ ATOM 543 NH2 ARG A 33 6.076 -19.663 12.657 1.00 25.32 N ATOM 0 H ARG A 33 9.568 -18.326 5.764 1.00 2.52 H new ATOM 0 HA ARG A 33 7.158 -16.897 6.660 1.00 14.43 H new ATOM 0 HB2 ARG A 33 9.512 -18.203 7.920 1.00 2.14 H new ATOM 0 HB3 ARG A 33 9.023 -16.694 8.665 1.00 2.14 H new ATOM 0 HG2 ARG A 33 7.042 -17.550 9.450 1.00 20.25 H new ATOM 0 HG3 ARG A 33 6.825 -18.620 8.079 1.00 20.25 H new ATOM 0 HD2 ARG A 33 7.797 -20.350 9.158 1.00 10.22 H new ATOM 0 HD3 ARG A 33 9.194 -19.387 9.595 1.00 10.22 H new ATOM 0 HE ARG A 33 8.291 -19.037 11.712 1.00 11.44 H new ATOM 0 HH11 ARG A 33 5.811 -20.221 9.497 1.00 23.32 H new ATOM 0 HH12 ARG A 33 4.612 -20.447 10.775 1.00 23.32 H new ATOM 0 HH21 ARG A 33 6.746 -19.329 13.349 1.00 25.32 H new ATOM 0 HH22 ARG A 33 5.140 -19.944 12.948 1.00 25.32 H new ATOM 557 N ILE A 34 8.032 -14.570 6.626 1.00 62.22 N ATOM 558 CA ILE A 34 8.488 -13.198 6.439 1.00 24.14 C ATOM 559 C ILE A 34 8.504 -12.440 7.763 1.00 22.22 C ATOM 560 O ILE A 34 7.508 -11.827 8.152 1.00 15.22 O ATOM 561 CB ILE A 34 7.597 -12.440 5.437 1.00 45.40 C ATOM 562 CG1 ILE A 34 7.585 -13.160 4.087 1.00 40.21 C ATOM 563 CG2 ILE A 34 8.084 -11.008 5.274 1.00 73.20 C ATOM 564 CD1 ILE A 34 8.959 -13.574 3.609 1.00 0.34 C ATOM 0 H ILE A 34 7.051 -14.657 6.891 1.00 62.22 H new ATOM 0 HA ILE A 34 9.501 -13.253 6.041 1.00 24.14 H new ATOM 0 HB ILE A 34 6.579 -12.416 5.825 1.00 45.40 H new ATOM 0 HG12 ILE A 34 6.954 -14.045 4.163 1.00 40.21 H new ATOM 0 HG13 ILE A 34 7.131 -12.508 3.341 1.00 40.21 H new ATOM 0 HG21 ILE A 34 7.445 -10.485 4.563 1.00 73.20 H new ATOM 0 HG22 ILE A 34 8.047 -10.499 6.237 1.00 73.20 H new ATOM 0 HG23 ILE A 34 9.110 -11.012 4.905 1.00 73.20 H new ATOM 0 HD11 ILE A 34 8.873 -14.078 2.647 1.00 0.34 H new ATOM 0 HD12 ILE A 34 9.588 -12.690 3.501 1.00 0.34 H new ATOM 0 HD13 ILE A 34 9.408 -14.252 4.335 1.00 0.34 H new ATOM 576 N THR A 35 9.641 -12.485 8.451 1.00 73.35 N ATOM 577 CA THR A 35 9.787 -11.801 9.730 1.00 10.14 C ATOM 578 C THR A 35 10.514 -10.472 9.564 1.00 21.43 C ATOM 579 O THR A 35 11.063 -10.184 8.501 1.00 61.13 O ATOM 580 CB THR A 35 10.553 -12.670 10.746 1.00 42.42 C ATOM 581 OG1 THR A 35 11.954 -12.641 10.455 1.00 61.24 O ATOM 582 CG2 THR A 35 10.053 -14.107 10.716 1.00 21.42 C ATOM 0 H THR A 35 10.474 -12.988 8.144 1.00 73.35 H new ATOM 0 HA THR A 35 8.781 -11.616 10.106 1.00 10.14 H new ATOM 0 HB THR A 35 10.380 -12.263 11.742 1.00 42.42 H new ATOM 0 HG1 THR A 35 12.440 -12.278 11.224 1.00 61.24 H new ATOM 0 HG21 THR A 35 10.609 -14.701 11.442 1.00 21.42 H new ATOM 0 HG22 THR A 35 8.992 -14.128 10.966 1.00 21.42 H new ATOM 0 HG23 THR A 35 10.199 -14.522 9.719 1.00 21.42 H new ATOM 643 N VAL A 40 8.068 -12.906 13.764 1.00 13.33 N ATOM 644 CA VAL A 40 7.290 -13.120 12.550 1.00 41.44 C ATOM 645 C VAL A 40 6.114 -12.154 12.472 1.00 63.31 C ATOM 646 O VAL A 40 5.472 -11.858 13.480 1.00 63.13 O ATOM 647 CB VAL A 40 6.759 -14.565 12.471 1.00 45.24 C ATOM 648 CG1 VAL A 40 5.968 -14.774 11.190 1.00 55.31 C ATOM 649 CG2 VAL A 40 7.906 -15.559 12.568 1.00 51.40 C ATOM 0 HA VAL A 40 7.960 -12.940 11.710 1.00 41.44 H new ATOM 0 HB VAL A 40 6.089 -14.735 13.314 1.00 45.24 H new ATOM 0 HG11 VAL A 40 5.601 -15.800 11.152 1.00 55.31 H new ATOM 0 HG12 VAL A 40 5.123 -14.086 11.168 1.00 55.31 H new ATOM 0 HG13 VAL A 40 6.611 -14.587 10.330 1.00 55.31 H new ATOM 0 HG21 VAL A 40 7.513 -16.574 12.511 1.00 51.40 H new ATOM 0 HG22 VAL A 40 8.602 -15.392 11.746 1.00 51.40 H new ATOM 0 HG23 VAL A 40 8.425 -15.424 13.517 1.00 51.40 H new ATOM 659 N VAL A 41 5.834 -11.665 11.268 1.00 34.35 N ATOM 660 CA VAL A 41 4.733 -10.732 11.058 1.00 44.34 C ATOM 661 C VAL A 41 3.715 -11.297 10.073 1.00 12.15 C ATOM 662 O VAL A 41 2.537 -10.945 10.112 1.00 4.11 O ATOM 663 CB VAL A 41 5.240 -9.375 10.534 1.00 3.41 C ATOM 664 CG1 VAL A 41 5.874 -8.572 11.660 1.00 40.14 C ATOM 665 CG2 VAL A 41 6.224 -9.579 9.393 1.00 22.42 C ATOM 0 H VAL A 41 6.355 -11.900 10.423 1.00 34.35 H new ATOM 0 HA VAL A 41 4.254 -10.583 12.026 1.00 44.34 H new ATOM 0 HB VAL A 41 4.389 -8.811 10.152 1.00 3.41 H new ATOM 0 HG11 VAL A 41 6.227 -7.616 11.272 1.00 40.14 H new ATOM 0 HG12 VAL A 41 5.135 -8.396 12.442 1.00 40.14 H new ATOM 0 HG13 VAL A 41 6.715 -9.128 12.074 1.00 40.14 H new ATOM 0 HG21 VAL A 41 6.572 -8.610 9.035 1.00 22.42 H new ATOM 0 HG22 VAL A 41 7.075 -10.162 9.746 1.00 22.42 H new ATOM 0 HG23 VAL A 41 5.732 -10.111 8.579 1.00 22.42 H new ATOM 675 N LYS A 42 4.179 -12.176 9.191 1.00 42.43 N ATOM 676 CA LYS A 42 3.309 -12.792 8.196 1.00 33.55 C ATOM 677 C LYS A 42 3.936 -14.067 7.641 1.00 43.41 C ATOM 678 O LYS A 42 5.155 -14.167 7.516 1.00 1.03 O ATOM 679 CB LYS A 42 3.029 -11.811 7.055 1.00 52.12 C ATOM 680 CG LYS A 42 1.593 -11.320 7.014 1.00 64.32 C ATOM 681 CD LYS A 42 1.469 -9.910 7.564 1.00 52.31 C ATOM 682 CE LYS A 42 0.364 -9.811 8.605 1.00 23.22 C ATOM 683 NZ LYS A 42 -0.876 -9.208 8.043 1.00 13.02 N1+ ATOM 0 H LYS A 42 5.152 -12.478 9.145 1.00 42.43 H new ATOM 0 HA LYS A 42 2.369 -13.051 8.683 1.00 33.55 H new ATOM 0 HB2 LYS A 42 3.695 -10.953 7.153 1.00 52.12 H new ATOM 0 HB3 LYS A 42 3.267 -12.293 6.106 1.00 52.12 H new ATOM 0 HG2 LYS A 42 1.229 -11.344 5.987 1.00 64.32 H new ATOM 0 HG3 LYS A 42 0.961 -11.994 7.592 1.00 64.32 H new ATOM 0 HD2 LYS A 42 2.417 -9.607 8.009 1.00 52.31 H new ATOM 0 HD3 LYS A 42 1.264 -9.217 6.748 1.00 52.31 H new ATOM 0 HE2 LYS A 42 0.141 -10.805 8.993 1.00 23.22 H new ATOM 0 HE3 LYS A 42 0.711 -9.211 9.446 1.00 23.22 H new ATOM 0 HZ1 LYS A 42 -1.604 -9.158 8.784 1.00 13.02 H new ATOM 0 HZ2 LYS A 42 -0.669 -8.250 7.696 1.00 13.02 H new ATOM 0 HZ3 LYS A 42 -1.222 -9.794 7.257 1.00 13.02 H new ATOM 697 N ASN A 43 3.093 -15.040 7.308 1.00 34.54 N ATOM 698 CA ASN A 43 3.565 -16.308 6.766 1.00 55.25 C ATOM 699 C ASN A 43 3.369 -16.359 5.253 1.00 40.53 C ATOM 700 O ASN A 43 2.517 -15.661 4.704 1.00 31.40 O ATOM 701 CB ASN A 43 2.829 -17.475 7.426 1.00 53.41 C ATOM 702 CG ASN A 43 2.261 -17.106 8.783 1.00 44.33 C ATOM 703 OD1 ASN A 43 1.250 -16.411 8.878 1.00 24.42 O ATOM 704 ND2 ASN A 43 2.913 -17.571 9.843 1.00 72.11 N ATOM 0 H ASN A 43 2.080 -14.974 7.404 1.00 34.54 H new ATOM 0 HA ASN A 43 4.630 -16.392 6.980 1.00 55.25 H new ATOM 0 HB2 ASN A 43 2.020 -17.806 6.774 1.00 53.41 H new ATOM 0 HB3 ASN A 43 3.513 -18.316 7.538 1.00 53.41 H new ATOM 0 HD21 ASN A 43 2.579 -17.355 10.782 1.00 72.11 H new ATOM 0 HD22 ASN A 43 3.747 -18.144 9.718 1.00 72.11 H new ATOM 711 N TRP A 44 4.162 -17.192 4.587 1.00 22.12 N ATOM 712 CA TRP A 44 4.075 -17.334 3.139 1.00 23.21 C ATOM 713 C TRP A 44 4.276 -18.788 2.722 1.00 15.33 C ATOM 714 O TRP A 44 4.987 -19.542 3.387 1.00 44.21 O ATOM 715 CB TRP A 44 5.115 -16.447 2.455 1.00 45.14 C ATOM 716 CG TRP A 44 4.515 -15.278 1.733 1.00 71.55 C ATOM 717 CD1 TRP A 44 4.084 -15.249 0.436 1.00 73.33 C ATOM 718 CD2 TRP A 44 4.283 -13.969 2.264 1.00 22.02 C ATOM 719 NE1 TRP A 44 3.598 -14.000 0.132 1.00 52.22 N ATOM 720 CE2 TRP A 44 3.708 -13.198 1.236 1.00 25.04 C ATOM 721 CE3 TRP A 44 4.502 -13.374 3.509 1.00 55.22 C ATOM 722 CZ2 TRP A 44 3.351 -11.864 1.416 1.00 62.41 C ATOM 723 CZ3 TRP A 44 4.149 -12.050 3.688 1.00 62.30 C ATOM 724 CH2 TRP A 44 3.578 -11.307 2.646 1.00 1.02 C ATOM 0 H TRP A 44 4.871 -17.778 5.027 1.00 22.12 H new ATOM 0 HA TRP A 44 3.079 -17.020 2.827 1.00 23.21 H new ATOM 0 HB2 TRP A 44 5.819 -16.081 3.203 1.00 45.14 H new ATOM 0 HB3 TRP A 44 5.686 -17.048 1.747 1.00 45.14 H new ATOM 0 HD1 TRP A 44 4.120 -16.084 -0.248 1.00 73.33 H new ATOM 0 HE1 TRP A 44 3.217 -13.716 -0.771 1.00 52.22 H new ATOM 0 HE3 TRP A 44 4.940 -13.940 4.318 1.00 55.22 H new ATOM 0 HZ2 TRP A 44 2.911 -11.290 0.614 1.00 62.41 H new ATOM 0 HZ3 TRP A 44 4.316 -11.580 4.646 1.00 62.30 H new ATOM 0 HH2 TRP A 44 3.312 -10.274 2.817 1.00 1.02 H new ATOM 735 N VAL A 45 3.646 -19.174 1.618 1.00 5.25 N ATOM 736 CA VAL A 45 3.758 -20.538 1.112 1.00 60.54 C ATOM 737 C VAL A 45 4.126 -20.547 -0.367 1.00 5.42 C ATOM 738 O VAL A 45 3.663 -19.706 -1.138 1.00 33.13 O ATOM 739 CB VAL A 45 2.445 -21.318 1.307 1.00 52.33 C ATOM 740 CG1 VAL A 45 2.497 -22.142 2.585 1.00 0.31 C ATOM 741 CG2 VAL A 45 1.257 -20.367 1.325 1.00 33.43 C ATOM 0 H VAL A 45 3.053 -18.563 1.057 1.00 5.25 H new ATOM 0 HA VAL A 45 4.549 -21.024 1.683 1.00 60.54 H new ATOM 0 HB VAL A 45 2.322 -22.001 0.467 1.00 52.33 H new ATOM 0 HG11 VAL A 45 1.560 -22.686 2.705 1.00 0.31 H new ATOM 0 HG12 VAL A 45 3.323 -22.850 2.528 1.00 0.31 H new ATOM 0 HG13 VAL A 45 2.645 -21.481 3.439 1.00 0.31 H new ATOM 0 HG21 VAL A 45 0.338 -20.936 1.464 1.00 33.43 H new ATOM 0 HG22 VAL A 45 1.372 -19.657 2.144 1.00 33.43 H new ATOM 0 HG23 VAL A 45 1.210 -19.826 0.380 1.00 33.43 H new ATOM 751 N MET A 46 4.963 -21.503 -0.757 1.00 62.23 N ATOM 752 CA MET A 46 5.393 -21.623 -2.146 1.00 35.14 C ATOM 753 C MET A 46 4.607 -22.714 -2.866 1.00 72.04 C ATOM 754 O MET A 46 4.823 -23.904 -2.635 1.00 51.41 O ATOM 755 CB MET A 46 6.890 -21.926 -2.214 1.00 33.01 C ATOM 756 CG MET A 46 7.607 -21.197 -3.339 1.00 43.13 C ATOM 757 SD MET A 46 8.582 -19.799 -2.749 1.00 65.24 S ATOM 758 CE MET A 46 10.196 -20.558 -2.582 1.00 25.52 C ATOM 0 H MET A 46 5.357 -22.206 -0.131 1.00 62.23 H new ATOM 0 HA MET A 46 5.200 -20.673 -2.644 1.00 35.14 H new ATOM 0 HB2 MET A 46 7.351 -21.654 -1.264 1.00 33.01 H new ATOM 0 HB3 MET A 46 7.030 -23.000 -2.341 1.00 33.01 H new ATOM 0 HG2 MET A 46 8.260 -21.896 -3.862 1.00 43.13 H new ATOM 0 HG3 MET A 46 6.873 -20.844 -4.064 1.00 43.13 H new ATOM 0 HE1 MET A 46 10.963 -19.784 -2.576 1.00 25.52 H new ATOM 0 HE2 MET A 46 10.239 -21.119 -1.649 1.00 25.52 H new ATOM 0 HE3 MET A 46 10.369 -21.233 -3.420 1.00 25.52 H new ATOM 768 N ASP A 47 3.694 -22.302 -3.739 1.00 71.12 N ATOM 769 CA ASP A 47 2.877 -23.245 -4.493 1.00 32.40 C ATOM 770 C ASP A 47 3.640 -23.781 -5.701 1.00 53.15 C ATOM 771 O ASP A 47 3.507 -23.266 -6.812 1.00 2.25 O ATOM 772 CB ASP A 47 1.579 -22.577 -4.950 1.00 13.44 C ATOM 773 CG ASP A 47 0.349 -23.247 -4.373 1.00 55.42 C ATOM 774 OD1 ASP A 47 -0.026 -22.912 -3.229 1.00 11.32 O1- ATOM 775 OD2 ASP A 47 -0.240 -24.105 -5.063 1.00 72.40 O ATOM 0 H ASP A 47 3.501 -21.321 -3.942 1.00 71.12 H new ATOM 0 HA ASP A 47 2.635 -24.082 -3.838 1.00 32.40 H new ATOM 0 HB2 ASP A 47 1.590 -21.528 -4.654 1.00 13.44 H new ATOM 0 HB3 ASP A 47 1.525 -22.601 -6.038 1.00 13.44 H new ATOM 780 N LEU A 48 4.441 -24.816 -5.476 1.00 3.45 N ATOM 781 CA LEU A 48 5.227 -25.423 -6.545 1.00 34.13 C ATOM 782 C LEU A 48 4.343 -26.253 -7.469 1.00 74.54 C ATOM 783 O LEU A 48 4.757 -26.639 -8.561 1.00 65.54 O ATOM 784 CB LEU A 48 6.334 -26.299 -5.957 1.00 41.41 C ATOM 785 CG LEU A 48 7.595 -25.568 -5.495 1.00 71.10 C ATOM 786 CD1 LEU A 48 8.558 -25.376 -6.658 1.00 72.14 C ATOM 787 CD2 LEU A 48 7.236 -24.226 -4.872 1.00 24.33 C ATOM 0 H LEU A 48 4.564 -25.253 -4.563 1.00 3.45 H new ATOM 0 HA LEU A 48 5.678 -24.621 -7.129 1.00 34.13 H new ATOM 0 HB2 LEU A 48 5.924 -26.846 -5.108 1.00 41.41 H new ATOM 0 HB3 LEU A 48 6.620 -27.038 -6.705 1.00 41.41 H new ATOM 0 HG LEU A 48 8.088 -26.178 -4.738 1.00 71.10 H new ATOM 0 HD11 LEU A 48 9.449 -24.854 -6.310 1.00 72.14 H new ATOM 0 HD12 LEU A 48 8.841 -26.349 -7.060 1.00 72.14 H new ATOM 0 HD13 LEU A 48 8.074 -24.788 -7.438 1.00 72.14 H new ATOM 0 HD21 LEU A 48 8.146 -23.720 -4.549 1.00 24.33 H new ATOM 0 HD22 LEU A 48 6.720 -23.610 -5.608 1.00 24.33 H new ATOM 0 HD23 LEU A 48 6.585 -24.386 -4.012 1.00 24.33 H new ATOM 799 N LYS A 49 3.120 -26.522 -7.023 1.00 53.41 N ATOM 800 CA LYS A 49 2.173 -27.304 -7.809 1.00 44.45 C ATOM 801 C LYS A 49 1.489 -26.434 -8.859 1.00 13.33 C ATOM 802 O LYS A 49 1.460 -26.778 -10.041 1.00 1.23 O ATOM 803 CB LYS A 49 1.123 -27.941 -6.897 1.00 43.22 C ATOM 804 CG LYS A 49 1.089 -29.457 -6.973 1.00 30.32 C ATOM 805 CD LYS A 49 0.665 -30.073 -5.650 1.00 53.45 C ATOM 806 CE LYS A 49 1.548 -31.255 -5.277 1.00 64.21 C ATOM 807 NZ LYS A 49 0.899 -32.135 -4.267 1.00 62.40 N1+ ATOM 0 H LYS A 49 2.762 -26.210 -6.121 1.00 53.41 H new ATOM 0 HA LYS A 49 2.727 -28.092 -8.319 1.00 44.45 H new ATOM 0 HB2 LYS A 49 1.319 -27.642 -5.867 1.00 43.22 H new ATOM 0 HB3 LYS A 49 0.140 -27.550 -7.161 1.00 43.22 H new ATOM 0 HG2 LYS A 49 0.399 -29.767 -7.758 1.00 30.32 H new ATOM 0 HG3 LYS A 49 2.075 -29.830 -7.250 1.00 30.32 H new ATOM 0 HD2 LYS A 49 0.713 -29.319 -4.864 1.00 53.45 H new ATOM 0 HD3 LYS A 49 -0.373 -30.399 -5.715 1.00 53.45 H new ATOM 0 HE2 LYS A 49 1.775 -31.835 -6.171 1.00 64.21 H new ATOM 0 HE3 LYS A 49 2.497 -30.890 -4.884 1.00 64.21 H new ATOM 0 HZ1 LYS A 49 1.532 -32.928 -4.040 1.00 62.40 H new ATOM 0 HZ2 LYS A 49 0.705 -31.588 -3.404 1.00 62.40 H new ATOM 0 HZ3 LYS A 49 0.006 -32.504 -4.651 1.00 62.40 H new ATOM 821 N ASN A 50 0.943 -25.305 -8.421 1.00 2.35 N ATOM 822 CA ASN A 50 0.260 -24.385 -9.324 1.00 41.40 C ATOM 823 C ASN A 50 1.253 -23.433 -9.984 1.00 40.41 C ATOM 824 O ASN A 50 0.892 -22.658 -10.869 1.00 2.41 O ATOM 825 CB ASN A 50 -0.801 -23.586 -8.564 1.00 14.33 C ATOM 826 CG ASN A 50 -1.600 -22.674 -9.476 1.00 4.31 C ATOM 827 OD1 ASN A 50 -2.186 -23.122 -10.462 1.00 4.24 O ATOM 828 ND2 ASN A 50 -1.626 -21.388 -9.150 1.00 4.23 N ATOM 0 H ASN A 50 0.960 -25.005 -7.446 1.00 2.35 H new ATOM 0 HA ASN A 50 -0.225 -24.973 -10.103 1.00 41.40 H new ATOM 0 HB2 ASN A 50 -1.478 -24.275 -8.059 1.00 14.33 H new ATOM 0 HB3 ASN A 50 -0.318 -22.989 -7.790 1.00 14.33 H new ATOM 0 HD21 ASN A 50 -2.147 -20.726 -9.726 1.00 4.23 H new ATOM 0 HD22 ASN A 50 -1.125 -21.061 -8.324 1.00 4.23 H new ATOM 835 N VAL A 51 2.507 -23.499 -9.547 1.00 64.11 N ATOM 836 CA VAL A 51 3.554 -22.645 -10.097 1.00 54.52 C ATOM 837 C VAL A 51 3.320 -21.184 -9.731 1.00 42.10 C ATOM 838 O VAL A 51 3.473 -20.291 -10.564 1.00 10.33 O ATOM 839 CB VAL A 51 3.635 -22.772 -11.630 1.00 71.44 C ATOM 840 CG1 VAL A 51 4.967 -22.243 -12.140 1.00 71.12 C ATOM 841 CG2 VAL A 51 3.428 -24.217 -12.055 1.00 50.43 C ATOM 0 H VAL A 51 2.823 -24.135 -8.814 1.00 64.11 H new ATOM 0 HA VAL A 51 4.496 -22.979 -9.662 1.00 54.52 H new ATOM 0 HB VAL A 51 2.840 -22.170 -12.070 1.00 71.44 H new ATOM 0 HG11 VAL A 51 5.006 -22.341 -13.225 1.00 71.12 H new ATOM 0 HG12 VAL A 51 5.070 -21.193 -11.866 1.00 71.12 H new ATOM 0 HG13 VAL A 51 5.781 -22.816 -11.695 1.00 71.12 H new ATOM 0 HG21 VAL A 51 3.488 -24.289 -13.141 1.00 50.43 H new ATOM 0 HG22 VAL A 51 4.200 -24.842 -11.606 1.00 50.43 H new ATOM 0 HG23 VAL A 51 2.447 -24.557 -11.723 1.00 50.43 H new ATOM 851 N LYS A 52 2.947 -20.946 -8.477 1.00 54.43 N ATOM 852 CA LYS A 52 2.692 -19.593 -7.998 1.00 32.42 C ATOM 853 C LYS A 52 3.025 -19.470 -6.514 1.00 50.21 C ATOM 854 O LYS A 52 3.237 -20.472 -5.829 1.00 11.15 O ATOM 855 CB LYS A 52 1.229 -19.212 -8.237 1.00 21.22 C ATOM 856 CG LYS A 52 1.047 -18.120 -9.276 1.00 10.13 C ATOM 857 CD LYS A 52 0.933 -16.750 -8.630 1.00 32.21 C ATOM 858 CE LYS A 52 -0.314 -16.015 -9.097 1.00 73.31 C ATOM 859 NZ LYS A 52 -0.024 -14.599 -9.454 1.00 35.03 N1+ ATOM 0 H LYS A 52 2.815 -21.674 -7.774 1.00 54.43 H new ATOM 0 HA LYS A 52 3.334 -18.910 -8.555 1.00 32.42 H new ATOM 0 HB2 LYS A 52 0.679 -20.098 -8.553 1.00 21.22 H new ATOM 0 HB3 LYS A 52 0.790 -18.883 -7.295 1.00 21.22 H new ATOM 0 HG2 LYS A 52 1.891 -18.129 -9.966 1.00 10.13 H new ATOM 0 HG3 LYS A 52 0.152 -18.322 -9.864 1.00 10.13 H new ATOM 0 HD2 LYS A 52 0.908 -16.859 -7.546 1.00 32.21 H new ATOM 0 HD3 LYS A 52 1.817 -16.159 -8.870 1.00 32.21 H new ATOM 0 HE2 LYS A 52 -0.735 -16.528 -9.961 1.00 73.31 H new ATOM 0 HE3 LYS A 52 -1.068 -16.044 -8.310 1.00 73.31 H new ATOM 0 HZ1 LYS A 52 -0.900 -14.134 -9.767 1.00 35.03 H new ATOM 0 HZ2 LYS A 52 0.354 -14.102 -8.622 1.00 35.03 H new ATOM 0 HZ3 LYS A 52 0.677 -14.571 -10.222 1.00 35.03 H new ATOM 873 N LEU A 53 3.067 -18.237 -6.022 1.00 61.23 N ATOM 874 CA LEU A 53 3.373 -17.982 -4.619 1.00 12.34 C ATOM 875 C LEU A 53 2.209 -17.282 -3.926 1.00 64.35 C ATOM 876 O LEU A 53 1.612 -16.356 -4.475 1.00 64.45 O ATOM 877 CB LEU A 53 4.640 -17.133 -4.498 1.00 22.14 C ATOM 878 CG LEU A 53 5.934 -17.894 -4.218 1.00 22.44 C ATOM 879 CD1 LEU A 53 6.411 -18.619 -5.468 1.00 71.22 C ATOM 880 CD2 LEU A 53 7.010 -16.948 -3.705 1.00 42.33 C ATOM 0 H LEU A 53 2.893 -17.397 -6.574 1.00 61.23 H new ATOM 0 HA LEU A 53 3.539 -18.941 -4.129 1.00 12.34 H new ATOM 0 HB2 LEU A 53 4.766 -16.571 -5.423 1.00 22.14 H new ATOM 0 HB3 LEU A 53 4.491 -16.405 -3.701 1.00 22.14 H new ATOM 0 HG LEU A 53 5.734 -18.638 -3.447 1.00 22.44 H new ATOM 0 HD11 LEU A 53 7.334 -19.155 -5.248 1.00 71.22 H new ATOM 0 HD12 LEU A 53 5.648 -19.327 -5.791 1.00 71.22 H new ATOM 0 HD13 LEU A 53 6.593 -17.894 -6.262 1.00 71.22 H new ATOM 0 HD21 LEU A 53 7.925 -17.508 -3.511 1.00 42.33 H new ATOM 0 HD22 LEU A 53 7.206 -16.180 -4.453 1.00 42.33 H new ATOM 0 HD23 LEU A 53 6.671 -16.477 -2.783 1.00 42.33 H new ATOM 892 N VAL A 54 1.890 -17.730 -2.716 1.00 5.45 N ATOM 893 CA VAL A 54 0.800 -17.144 -1.946 1.00 41.23 C ATOM 894 C VAL A 54 1.196 -16.958 -0.485 1.00 45.12 C ATOM 895 O VAL A 54 2.196 -17.511 -0.029 1.00 72.40 O ATOM 896 CB VAL A 54 -0.468 -18.016 -2.015 1.00 72.04 C ATOM 897 CG1 VAL A 54 -0.724 -18.473 -3.444 1.00 71.10 C ATOM 898 CG2 VAL A 54 -0.345 -19.209 -1.079 1.00 11.01 C ATOM 0 H VAL A 54 2.372 -18.498 -2.248 1.00 5.45 H new ATOM 0 HA VAL A 54 0.588 -16.171 -2.389 1.00 41.23 H new ATOM 0 HB VAL A 54 -1.319 -17.416 -1.692 1.00 72.04 H new ATOM 0 HG11 VAL A 54 -1.624 -19.088 -3.474 1.00 71.10 H new ATOM 0 HG12 VAL A 54 -0.858 -17.602 -4.086 1.00 71.10 H new ATOM 0 HG13 VAL A 54 0.126 -19.057 -3.797 1.00 71.10 H new ATOM 0 HG21 VAL A 54 -1.249 -19.814 -1.140 1.00 11.01 H new ATOM 0 HG22 VAL A 54 0.516 -19.812 -1.369 1.00 11.01 H new ATOM 0 HG23 VAL A 54 -0.213 -18.857 -0.056 1.00 11.01 H new ATOM 908 N GLU A 55 0.405 -16.176 0.241 1.00 21.23 N ATOM 909 CA GLU A 55 0.673 -15.917 1.651 1.00 34.21 C ATOM 910 C GLU A 55 -0.197 -16.799 2.542 1.00 31.12 C ATOM 911 O GLU A 55 -1.400 -16.574 2.672 1.00 24.40 O ATOM 912 CB GLU A 55 0.425 -14.443 1.977 1.00 60.31 C ATOM 913 CG GLU A 55 -0.909 -13.922 1.469 1.00 21.34 C ATOM 914 CD GLU A 55 -0.777 -13.154 0.168 1.00 40.15 C ATOM 915 OE1 GLU A 55 -0.165 -12.065 0.182 1.00 15.53 O ATOM 916 OE2 GLU A 55 -1.286 -13.641 -0.863 1.00 73.52 O1- ATOM 0 H GLU A 55 -0.426 -15.711 -0.123 1.00 21.23 H new ATOM 0 HA GLU A 55 1.719 -16.154 1.845 1.00 34.21 H new ATOM 0 HB2 GLU A 55 0.471 -14.306 3.057 1.00 60.31 H new ATOM 0 HB3 GLU A 55 1.227 -13.844 1.545 1.00 60.31 H new ATOM 0 HG2 GLU A 55 -1.591 -14.760 1.325 1.00 21.34 H new ATOM 0 HG3 GLU A 55 -1.354 -13.275 2.225 1.00 21.34 H new ATOM 923 N SER A 56 0.422 -17.805 3.152 1.00 73.41 N ATOM 924 CA SER A 56 -0.295 -18.725 4.028 1.00 43.24 C ATOM 925 C SER A 56 0.679 -19.585 4.827 1.00 1.33 C ATOM 926 O SER A 56 1.860 -19.681 4.491 1.00 11.10 O ATOM 927 CB SER A 56 -1.229 -19.618 3.209 1.00 44.34 C ATOM 928 OG SER A 56 -2.575 -19.190 3.325 1.00 12.25 O ATOM 0 H SER A 56 1.418 -18.004 3.056 1.00 73.41 H new ATOM 0 HA SER A 56 -0.888 -18.135 4.727 1.00 43.24 H new ATOM 0 HB2 SER A 56 -0.928 -19.601 2.162 1.00 44.34 H new ATOM 0 HB3 SER A 56 -1.142 -20.650 3.549 1.00 44.34 H new ATOM 0 HG SER A 56 -2.627 -18.226 3.156 1.00 12.25 H new ATOM 934 N ASP A 57 0.175 -20.210 5.885 1.00 31.32 N ATOM 935 CA ASP A 57 0.999 -21.064 6.732 1.00 71.22 C ATOM 936 C ASP A 57 0.394 -22.460 6.850 1.00 51.13 C ATOM 937 O ASP A 57 -0.712 -22.626 7.362 1.00 50.20 O ATOM 938 CB ASP A 57 1.154 -20.444 8.122 1.00 63.23 C ATOM 939 CG ASP A 57 -0.034 -19.584 8.508 1.00 3.54 C ATOM 940 OD1 ASP A 57 -0.149 -18.460 7.978 1.00 34.13 O ATOM 941 OD2 ASP A 57 -0.849 -20.037 9.339 1.00 2.01 O1- ATOM 0 H ASP A 57 -0.800 -20.141 6.177 1.00 31.32 H new ATOM 0 HA ASP A 57 1.982 -21.151 6.269 1.00 71.22 H new ATOM 0 HB2 ASP A 57 1.279 -21.238 8.859 1.00 63.23 H new ATOM 0 HB3 ASP A 57 2.060 -19.839 8.148 1.00 63.23 H new ATOM 946 N ASP A 58 1.127 -23.459 6.369 1.00 42.15 N ATOM 947 CA ASP A 58 0.663 -24.841 6.419 1.00 13.22 C ATOM 948 C ASP A 58 1.832 -25.799 6.623 1.00 50.02 C ATOM 949 O ASP A 58 2.987 -25.441 6.398 1.00 32.03 O ATOM 950 CB ASP A 58 -0.086 -25.196 5.134 1.00 32.33 C ATOM 951 CG ASP A 58 -0.773 -23.996 4.513 1.00 34.24 C ATOM 952 OD1 ASP A 58 -1.894 -23.660 4.950 1.00 62.33 O ATOM 953 OD2 ASP A 58 -0.188 -23.391 3.590 1.00 21.22 O1- ATOM 0 H ASP A 58 2.045 -23.337 5.940 1.00 42.15 H new ATOM 0 HA ASP A 58 -0.017 -24.941 7.265 1.00 13.22 H new ATOM 0 HB2 ASP A 58 0.614 -25.622 4.415 1.00 32.33 H new ATOM 0 HB3 ASP A 58 -0.828 -25.964 5.350 1.00 32.33 H new ATOM 958 N ALA A 59 1.523 -27.018 7.052 1.00 54.42 N ATOM 959 CA ALA A 59 2.547 -28.028 7.285 1.00 64.04 C ATOM 960 C ALA A 59 3.279 -28.377 5.994 1.00 23.53 C ATOM 961 O ALA A 59 2.861 -29.265 5.252 1.00 64.14 O ATOM 962 CB ALA A 59 1.928 -29.277 7.896 1.00 20.01 C ATOM 0 H ALA A 59 0.571 -27.330 7.245 1.00 54.42 H new ATOM 0 HA ALA A 59 3.274 -27.616 7.985 1.00 64.04 H new ATOM 0 HB1 ALA A 59 2.705 -30.023 8.065 1.00 20.01 H new ATOM 0 HB2 ALA A 59 1.457 -29.023 8.846 1.00 20.01 H new ATOM 0 HB3 ALA A 59 1.178 -29.681 7.216 1.00 20.01 H new ATOM 968 N ALA A 60 4.375 -27.671 5.731 1.00 25.42 N ATOM 969 CA ALA A 60 5.165 -27.907 4.529 1.00 52.24 C ATOM 970 C ALA A 60 6.323 -28.858 4.812 1.00 52.10 C ATOM 971 O ALA A 60 6.843 -28.902 5.927 1.00 32.51 O ATOM 972 CB ALA A 60 5.685 -26.590 3.974 1.00 60.25 C ATOM 0 H ALA A 60 4.735 -26.932 6.334 1.00 25.42 H new ATOM 0 HA ALA A 60 4.520 -28.373 3.785 1.00 52.24 H new ATOM 0 HB1 ALA A 60 6.273 -26.780 3.076 1.00 60.25 H new ATOM 0 HB2 ALA A 60 4.844 -25.942 3.726 1.00 60.25 H new ATOM 0 HB3 ALA A 60 6.311 -26.102 4.721 1.00 60.25 H new ATOM 978 N GLU A 61 6.721 -29.617 3.797 1.00 12.15 N ATOM 979 CA GLU A 61 7.817 -30.568 3.938 1.00 60.24 C ATOM 980 C GLU A 61 9.127 -29.848 4.242 1.00 60.45 C ATOM 981 O GLU A 61 10.060 -30.437 4.788 1.00 34.32 O ATOM 982 CB GLU A 61 7.966 -31.403 2.664 1.00 40.01 C ATOM 983 CG GLU A 61 7.997 -32.900 2.918 1.00 60.43 C ATOM 984 CD GLU A 61 9.382 -33.493 2.749 1.00 63.55 C ATOM 985 OE1 GLU A 61 10.351 -32.891 3.260 1.00 10.35 O ATOM 986 OE2 GLU A 61 9.500 -34.557 2.106 1.00 4.32 O1- ATOM 0 H GLU A 61 6.301 -29.592 2.868 1.00 12.15 H new ATOM 0 HA GLU A 61 7.583 -31.230 4.772 1.00 60.24 H new ATOM 0 HB2 GLU A 61 7.140 -31.174 1.991 1.00 40.01 H new ATOM 0 HB3 GLU A 61 8.883 -31.111 2.153 1.00 40.01 H new ATOM 0 HG2 GLU A 61 7.641 -33.100 3.929 1.00 60.43 H new ATOM 0 HG3 GLU A 61 7.308 -33.395 2.233 1.00 60.43 H new ATOM 993 N ALA A 62 9.190 -28.569 3.885 1.00 4.02 N ATOM 994 CA ALA A 62 10.384 -27.767 4.121 1.00 60.23 C ATOM 995 C ALA A 62 10.018 -26.361 4.583 1.00 52.32 C ATOM 996 O ALA A 62 9.274 -25.647 3.910 1.00 12.21 O ATOM 997 CB ALA A 62 11.235 -27.705 2.861 1.00 14.02 C ATOM 0 H ALA A 62 8.427 -28.066 3.431 1.00 4.02 H new ATOM 0 HA ALA A 62 10.961 -28.243 4.914 1.00 60.23 H new ATOM 0 HB1 ALA A 62 12.123 -27.103 3.051 1.00 14.02 H new ATOM 0 HB2 ALA A 62 11.534 -28.713 2.574 1.00 14.02 H new ATOM 0 HB3 ALA A 62 10.658 -27.254 2.054 1.00 14.02 H new ATOM 1003 N THR A 63 10.545 -25.967 5.739 1.00 64.23 N ATOM 1004 CA THR A 63 10.272 -24.647 6.293 1.00 11.41 C ATOM 1005 C THR A 63 11.452 -23.707 6.077 1.00 73.24 C ATOM 1006 O THR A 63 12.590 -24.031 6.420 1.00 53.04 O ATOM 1007 CB THR A 63 9.960 -24.724 7.800 1.00 31.34 C ATOM 1008 OG1 THR A 63 8.765 -25.482 8.015 1.00 62.11 O ATOM 1009 CG2 THR A 63 9.798 -23.332 8.391 1.00 45.10 C ATOM 0 H THR A 63 11.163 -26.544 6.309 1.00 64.23 H new ATOM 0 HA THR A 63 9.399 -24.257 5.769 1.00 11.41 H new ATOM 0 HB THR A 63 10.796 -25.217 8.297 1.00 31.34 H new ATOM 0 HG1 THR A 63 8.575 -25.528 8.975 1.00 62.11 H new ATOM 0 HG21 THR A 63 9.578 -23.412 9.456 1.00 45.10 H new ATOM 0 HG22 THR A 63 10.720 -22.768 8.252 1.00 45.10 H new ATOM 0 HG23 THR A 63 8.979 -22.817 7.889 1.00 45.10 H new ATOM 1017 N LEU A 64 11.174 -22.539 5.508 1.00 31.21 N ATOM 1018 CA LEU A 64 12.213 -21.549 5.246 1.00 23.22 C ATOM 1019 C LEU A 64 11.869 -20.212 5.897 1.00 10.31 C ATOM 1020 O LEU A 64 10.961 -19.509 5.454 1.00 34.35 O ATOM 1021 CB LEU A 64 12.399 -21.362 3.740 1.00 42.20 C ATOM 1022 CG LEU A 64 12.872 -22.591 2.964 1.00 33.54 C ATOM 1023 CD1 LEU A 64 11.848 -22.985 1.911 1.00 24.14 C ATOM 1024 CD2 LEU A 64 14.227 -22.328 2.321 1.00 33.52 C ATOM 0 H LEU A 64 10.238 -22.254 5.219 1.00 31.21 H new ATOM 0 HA LEU A 64 13.145 -21.914 5.679 1.00 23.22 H new ATOM 0 HB2 LEU A 64 11.451 -21.032 3.315 1.00 42.20 H new ATOM 0 HB3 LEU A 64 13.117 -20.558 3.580 1.00 42.20 H new ATOM 0 HG LEU A 64 12.979 -23.419 3.664 1.00 33.54 H new ATOM 0 HD11 LEU A 64 12.202 -23.862 1.369 1.00 24.14 H new ATOM 0 HD12 LEU A 64 10.899 -23.217 2.395 1.00 24.14 H new ATOM 0 HD13 LEU A 64 11.707 -22.159 1.213 1.00 24.14 H new ATOM 0 HD21 LEU A 64 14.548 -23.214 1.773 1.00 33.52 H new ATOM 0 HD22 LEU A 64 14.146 -21.486 1.634 1.00 33.52 H new ATOM 0 HD23 LEU A 64 14.958 -22.096 3.095 1.00 33.52 H new ATOM 1036 N THR A 65 12.601 -19.867 6.952 1.00 71.33 N ATOM 1037 CA THR A 65 12.375 -18.617 7.664 1.00 73.12 C ATOM 1038 C THR A 65 13.428 -17.577 7.298 1.00 14.11 C ATOM 1039 O THR A 65 14.626 -17.853 7.340 1.00 44.01 O ATOM 1040 CB THR A 65 12.386 -18.827 9.189 1.00 74.44 C ATOM 1041 OG1 THR A 65 11.967 -20.160 9.503 1.00 70.01 O ATOM 1042 CG2 THR A 65 11.472 -17.827 9.881 1.00 42.34 C ATOM 0 H THR A 65 13.356 -20.437 7.332 1.00 71.33 H new ATOM 0 HA THR A 65 11.392 -18.257 7.362 1.00 73.12 H new ATOM 0 HB THR A 65 13.404 -18.672 9.547 1.00 74.44 H new ATOM 0 HG1 THR A 65 12.754 -20.736 9.600 1.00 70.01 H new ATOM 0 HG21 THR A 65 11.497 -17.996 10.958 1.00 42.34 H new ATOM 0 HG22 THR A 65 11.811 -16.814 9.665 1.00 42.34 H new ATOM 0 HG23 THR A 65 10.452 -17.954 9.517 1.00 42.34 H new ATOM 1050 N MET A 66 12.973 -16.380 6.940 1.00 44.23 N ATOM 1051 CA MET A 66 13.878 -15.299 6.569 1.00 35.33 C ATOM 1052 C MET A 66 13.208 -13.941 6.753 1.00 74.32 C ATOM 1053 O MET A 66 11.981 -13.842 6.758 1.00 1.23 O ATOM 1054 CB MET A 66 14.335 -15.463 5.118 1.00 73.33 C ATOM 1055 CG MET A 66 15.689 -16.140 4.979 1.00 31.14 C ATOM 1056 SD MET A 66 15.885 -16.984 3.399 1.00 74.11 S ATOM 1057 CE MET A 66 15.589 -18.683 3.884 1.00 64.32 C ATOM 0 H MET A 66 11.984 -16.135 6.899 1.00 44.23 H new ATOM 0 HA MET A 66 14.748 -15.346 7.224 1.00 35.33 H new ATOM 0 HB2 MET A 66 13.590 -16.044 4.575 1.00 73.33 H new ATOM 0 HB3 MET A 66 14.379 -14.481 4.647 1.00 73.33 H new ATOM 0 HG2 MET A 66 16.476 -15.394 5.088 1.00 31.14 H new ATOM 0 HG3 MET A 66 15.816 -16.859 5.789 1.00 31.14 H new ATOM 0 HE1 MET A 66 15.187 -19.239 3.037 1.00 64.32 H new ATOM 0 HE2 MET A 66 16.526 -19.138 4.205 1.00 64.32 H new ATOM 0 HE3 MET A 66 14.873 -18.707 4.706 1.00 64.32 H new ATOM 1067 N GLU A 67 14.020 -12.900 6.903 1.00 74.44 N ATOM 1068 CA GLU A 67 13.503 -11.549 7.088 1.00 65.21 C ATOM 1069 C GLU A 67 13.244 -10.877 5.743 1.00 21.25 C ATOM 1070 O GLU A 67 13.813 -11.264 4.723 1.00 71.54 O ATOM 1071 CB GLU A 67 14.486 -10.712 7.908 1.00 61.44 C ATOM 1072 CG GLU A 67 14.775 -11.287 9.284 1.00 20.41 C ATOM 1073 CD GLU A 67 15.516 -10.313 10.179 1.00 50.14 C ATOM 1074 OE1 GLU A 67 15.812 -9.190 9.718 1.00 70.53 O ATOM 1075 OE2 GLU A 67 15.802 -10.673 11.341 1.00 14.41 O1- ATOM 0 H GLU A 67 15.038 -12.966 6.900 1.00 74.44 H new ATOM 0 HA GLU A 67 12.558 -11.619 7.627 1.00 65.21 H new ATOM 0 HB2 GLU A 67 15.422 -10.623 7.357 1.00 61.44 H new ATOM 0 HB3 GLU A 67 14.086 -9.704 8.021 1.00 61.44 H new ATOM 0 HG2 GLU A 67 13.836 -11.570 9.760 1.00 20.41 H new ATOM 0 HG3 GLU A 67 15.365 -12.197 9.177 1.00 20.41 H new ATOM 1082 N ASP A 68 12.379 -9.868 5.749 1.00 21.12 N ATOM 1083 CA ASP A 68 12.043 -9.141 4.531 1.00 71.10 C ATOM 1084 C ASP A 68 13.305 -8.693 3.800 1.00 24.42 C ATOM 1085 O ASP A 68 13.503 -9.015 2.629 1.00 74.24 O ATOM 1086 CB ASP A 68 11.171 -7.928 4.859 1.00 64.02 C ATOM 1087 CG ASP A 68 9.918 -7.868 4.009 1.00 31.40 C ATOM 1088 OD1 ASP A 68 9.402 -8.943 3.637 1.00 75.34 O1- ATOM 1089 OD2 ASP A 68 9.452 -6.747 3.715 1.00 12.13 O ATOM 0 H ASP A 68 11.898 -9.535 6.585 1.00 21.12 H new ATOM 0 HA ASP A 68 11.486 -9.813 3.878 1.00 71.10 H new ATOM 0 HB2 ASP A 68 10.891 -7.960 5.912 1.00 64.02 H new ATOM 0 HB3 ASP A 68 11.751 -7.017 4.711 1.00 64.02 H new ATOM 1094 N ASP A 69 14.154 -7.948 4.499 1.00 45.41 N ATOM 1095 CA ASP A 69 15.397 -7.456 3.917 1.00 14.54 C ATOM 1096 C ASP A 69 16.178 -8.592 3.262 1.00 22.43 C ATOM 1097 O ASP A 69 16.741 -8.428 2.179 1.00 53.21 O ATOM 1098 CB ASP A 69 16.256 -6.782 4.989 1.00 1.15 C ATOM 1099 CG ASP A 69 16.781 -5.431 4.545 1.00 54.42 C ATOM 1100 OD1 ASP A 69 16.954 -5.233 3.324 1.00 74.02 O ATOM 1101 OD2 ASP A 69 17.017 -4.571 5.418 1.00 30.41 O1- ATOM 0 H ASP A 69 14.004 -7.672 5.469 1.00 45.41 H new ATOM 0 HA ASP A 69 15.145 -6.723 3.151 1.00 14.54 H new ATOM 0 HB2 ASP A 69 15.667 -6.659 5.898 1.00 1.15 H new ATOM 0 HB3 ASP A 69 17.096 -7.431 5.239 1.00 1.15 H new ATOM 1106 N ILE A 70 16.209 -9.741 3.927 1.00 1.14 N ATOM 1107 CA ILE A 70 16.921 -10.903 3.410 1.00 43.35 C ATOM 1108 C ILE A 70 16.330 -11.364 2.083 1.00 31.44 C ATOM 1109 O ILE A 70 17.059 -11.709 1.153 1.00 24.31 O ATOM 1110 CB ILE A 70 16.886 -12.075 4.409 1.00 13.31 C ATOM 1111 CG1 ILE A 70 17.853 -11.816 5.567 1.00 2.20 C ATOM 1112 CG2 ILE A 70 17.230 -13.380 3.706 1.00 11.14 C ATOM 1113 CD1 ILE A 70 19.304 -11.760 5.142 1.00 73.31 C ATOM 0 H ILE A 70 15.750 -9.893 4.825 1.00 1.14 H new ATOM 0 HA ILE A 70 17.956 -10.597 3.257 1.00 43.35 H new ATOM 0 HB ILE A 70 15.878 -12.158 4.814 1.00 13.31 H new ATOM 0 HG12 ILE A 70 17.587 -10.875 6.048 1.00 2.20 H new ATOM 0 HG13 ILE A 70 17.732 -12.601 6.314 1.00 2.20 H new ATOM 0 HG21 ILE A 70 17.201 -14.199 4.425 1.00 11.14 H new ATOM 0 HG22 ILE A 70 16.506 -13.568 2.913 1.00 11.14 H new ATOM 0 HG23 ILE A 70 18.229 -13.309 3.276 1.00 11.14 H new ATOM 0 HD11 ILE A 70 19.931 -11.573 6.014 1.00 73.31 H new ATOM 0 HD12 ILE A 70 19.587 -12.710 4.688 1.00 73.31 H new ATOM 0 HD13 ILE A 70 19.440 -10.957 4.418 1.00 73.31 H new ATOM 1125 N MET A 71 15.002 -11.365 2.000 1.00 71.51 N ATOM 1126 CA MET A 71 14.314 -11.781 0.784 1.00 43.30 C ATOM 1127 C MET A 71 14.857 -11.036 -0.431 1.00 65.43 C ATOM 1128 O MET A 71 15.095 -11.631 -1.481 1.00 75.00 O ATOM 1129 CB MET A 71 12.809 -11.535 0.917 1.00 72.31 C ATOM 1130 CG MET A 71 11.963 -12.753 0.583 1.00 1.33 C ATOM 1131 SD MET A 71 12.298 -14.151 1.671 1.00 74.13 S ATOM 1132 CE MET A 71 12.130 -13.378 3.277 1.00 31.24 C ATOM 0 H MET A 71 14.383 -11.083 2.760 1.00 71.51 H new ATOM 0 HA MET A 71 14.491 -12.847 0.642 1.00 43.30 H new ATOM 0 HB2 MET A 71 12.589 -11.219 1.937 1.00 72.31 H new ATOM 0 HB3 MET A 71 12.524 -10.713 0.260 1.00 72.31 H new ATOM 0 HG2 MET A 71 10.908 -12.488 0.653 1.00 1.33 H new ATOM 0 HG3 MET A 71 12.150 -13.048 -0.449 1.00 1.33 H new ATOM 0 HE1 MET A 71 11.696 -14.090 3.980 1.00 31.24 H new ATOM 0 HE2 MET A 71 13.111 -13.066 3.635 1.00 31.24 H new ATOM 0 HE3 MET A 71 11.480 -12.507 3.195 1.00 31.24 H new ATOM 1142 N PHE A 72 15.051 -9.730 -0.281 1.00 41.54 N ATOM 1143 CA PHE A 72 15.566 -8.902 -1.365 1.00 22.30 C ATOM 1144 C PHE A 72 17.035 -9.212 -1.636 1.00 43.01 C ATOM 1145 O PHE A 72 17.509 -9.090 -2.764 1.00 63.32 O ATOM 1146 CB PHE A 72 15.398 -7.420 -1.029 1.00 44.00 C ATOM 1147 CG PHE A 72 15.845 -6.501 -2.130 1.00 52.50 C ATOM 1148 CD1 PHE A 72 15.288 -6.591 -3.395 1.00 61.23 C ATOM 1149 CD2 PHE A 72 16.823 -5.546 -1.900 1.00 2.12 C ATOM 1150 CE1 PHE A 72 15.697 -5.749 -4.411 1.00 44.43 C ATOM 1151 CE2 PHE A 72 17.237 -4.699 -2.911 1.00 51.42 C ATOM 1152 CZ PHE A 72 16.672 -4.800 -4.168 1.00 61.11 C ATOM 0 H PHE A 72 14.859 -9.222 0.582 1.00 41.54 H new ATOM 0 HA PHE A 72 14.994 -9.129 -2.265 1.00 22.30 H new ATOM 0 HB2 PHE A 72 14.350 -7.223 -0.805 1.00 44.00 H new ATOM 0 HB3 PHE A 72 15.964 -7.194 -0.126 1.00 44.00 H new ATOM 0 HD1 PHE A 72 14.524 -7.329 -3.590 1.00 61.23 H new ATOM 0 HD2 PHE A 72 17.267 -5.463 -0.919 1.00 2.12 H new ATOM 0 HE1 PHE A 72 15.256 -5.832 -5.393 1.00 44.43 H new ATOM 0 HE2 PHE A 72 18.001 -3.960 -2.719 1.00 51.42 H new ATOM 0 HZ PHE A 72 16.992 -4.138 -4.959 1.00 61.11 H new ATOM 1162 N ALA A 73 17.751 -9.613 -0.590 1.00 72.11 N ATOM 1163 CA ALA A 73 19.166 -9.942 -0.713 1.00 15.10 C ATOM 1164 C ALA A 73 19.358 -11.303 -1.371 1.00 3.03 C ATOM 1165 O ALA A 73 19.984 -11.412 -2.426 1.00 20.54 O ATOM 1166 CB ALA A 73 19.835 -9.913 0.653 1.00 40.23 C ATOM 0 H ALA A 73 17.374 -9.718 0.352 1.00 72.11 H new ATOM 0 HA ALA A 73 19.634 -9.192 -1.350 1.00 15.10 H new ATOM 0 HB1 ALA A 73 20.891 -10.161 0.546 1.00 40.23 H new ATOM 0 HB2 ALA A 73 19.738 -8.917 1.085 1.00 40.23 H new ATOM 0 HB3 ALA A 73 19.356 -10.641 1.308 1.00 40.23 H new ATOM 1172 N ILE A 74 18.815 -12.341 -0.741 1.00 62.02 N ATOM 1173 CA ILE A 74 18.928 -13.696 -1.266 1.00 2.11 C ATOM 1174 C ILE A 74 18.056 -13.880 -2.504 1.00 5.14 C ATOM 1175 O ILE A 74 18.424 -14.595 -3.434 1.00 43.34 O ATOM 1176 CB ILE A 74 18.529 -14.743 -0.210 1.00 11.55 C ATOM 1177 CG1 ILE A 74 19.444 -14.643 1.012 1.00 44.31 C ATOM 1178 CG2 ILE A 74 18.583 -16.142 -0.805 1.00 21.22 C ATOM 1179 CD1 ILE A 74 19.118 -15.647 2.096 1.00 30.22 C ATOM 0 H ILE A 74 18.293 -12.269 0.132 1.00 62.02 H new ATOM 0 HA ILE A 74 19.974 -13.844 -1.536 1.00 2.11 H new ATOM 0 HB ILE A 74 17.506 -14.543 0.109 1.00 11.55 H new ATOM 0 HG12 ILE A 74 20.477 -14.786 0.695 1.00 44.31 H new ATOM 0 HG13 ILE A 74 19.374 -13.637 1.427 1.00 44.31 H new ATOM 0 HG21 ILE A 74 18.298 -16.871 -0.046 1.00 21.22 H new ATOM 0 HG22 ILE A 74 17.894 -16.206 -1.647 1.00 21.22 H new ATOM 0 HG23 ILE A 74 19.596 -16.352 -1.149 1.00 21.22 H new ATOM 0 HD11 ILE A 74 19.807 -15.518 2.931 1.00 30.22 H new ATOM 0 HD12 ILE A 74 18.096 -15.491 2.441 1.00 30.22 H new ATOM 0 HD13 ILE A 74 19.216 -16.657 1.698 1.00 30.22 H new ATOM 1191 N GLY A 75 16.896 -13.228 -2.506 1.00 3.13 N ATOM 1192 CA GLY A 75 15.991 -13.332 -3.635 1.00 32.31 C ATOM 1193 C GLY A 75 16.689 -13.110 -4.962 1.00 1.25 C ATOM 1194 O GLY A 75 16.427 -13.816 -5.937 1.00 54.01 O ATOM 0 H GLY A 75 16.568 -12.631 -1.747 1.00 3.13 H new ATOM 0 HA2 GLY A 75 15.526 -14.318 -3.634 1.00 32.31 H new ATOM 0 HA3 GLY A 75 15.190 -12.601 -3.523 1.00 32.31 H new ATOM 1198 N THR A 76 17.581 -12.125 -5.002 1.00 53.52 N ATOM 1199 CA THR A 76 18.317 -11.810 -6.219 1.00 44.22 C ATOM 1200 C THR A 76 19.732 -12.375 -6.168 1.00 51.23 C ATOM 1201 O THR A 76 20.553 -12.098 -7.041 1.00 5.23 O ATOM 1202 CB THR A 76 18.393 -10.289 -6.452 1.00 62.11 C ATOM 1203 OG1 THR A 76 19.239 -10.006 -7.571 1.00 43.24 O ATOM 1204 CG2 THR A 76 18.924 -9.577 -5.216 1.00 74.33 C ATOM 0 H THR A 76 17.811 -11.532 -4.205 1.00 53.52 H new ATOM 0 HA THR A 76 17.774 -12.270 -7.044 1.00 44.22 H new ATOM 0 HB THR A 76 17.386 -9.925 -6.657 1.00 62.11 H new ATOM 0 HG1 THR A 76 19.667 -10.833 -7.875 1.00 43.24 H new ATOM 0 HG21 THR A 76 18.969 -8.504 -5.405 1.00 74.33 H new ATOM 0 HG22 THR A 76 18.261 -9.770 -4.372 1.00 74.33 H new ATOM 0 HG23 THR A 76 19.923 -9.946 -4.984 1.00 74.33 H new ATOM 1212 N GLY A 77 20.010 -13.170 -5.139 1.00 1.41 N ATOM 1213 CA GLY A 77 21.327 -13.762 -4.994 1.00 40.44 C ATOM 1214 C GLY A 77 22.414 -12.722 -4.812 1.00 21.42 C ATOM 1215 O GLY A 77 23.540 -12.903 -5.273 1.00 72.34 O ATOM 0 H GLY A 77 19.347 -13.414 -4.404 1.00 1.41 H new ATOM 0 HA2 GLY A 77 21.326 -14.436 -4.137 1.00 40.44 H new ATOM 0 HA3 GLY A 77 21.550 -14.365 -5.874 1.00 40.44 H new ATOM 1219 N ALA A 78 22.076 -11.628 -4.138 1.00 14.03 N ATOM 1220 CA ALA A 78 23.032 -10.554 -3.896 1.00 4.53 C ATOM 1221 C ALA A 78 24.024 -10.939 -2.803 1.00 51.42 C ATOM 1222 O ALA A 78 25.221 -10.667 -2.913 1.00 12.13 O ATOM 1223 CB ALA A 78 22.303 -9.273 -3.521 1.00 15.31 C ATOM 0 H ALA A 78 21.148 -11.462 -3.750 1.00 14.03 H new ATOM 0 HA ALA A 78 23.591 -10.385 -4.816 1.00 4.53 H new ATOM 0 HB1 ALA A 78 23.029 -8.480 -3.343 1.00 15.31 H new ATOM 0 HB2 ALA A 78 21.639 -8.981 -4.334 1.00 15.31 H new ATOM 0 HB3 ALA A 78 21.718 -9.439 -2.616 1.00 15.31 H new ATOM 1229 N LEU A 79 23.521 -11.572 -1.749 1.00 34.13 N ATOM 1230 CA LEU A 79 24.363 -11.993 -0.635 1.00 54.32 C ATOM 1231 C LEU A 79 24.395 -13.514 -0.523 1.00 62.35 C ATOM 1232 O LEU A 79 23.502 -14.215 -0.997 1.00 75.14 O ATOM 1233 CB LEU A 79 23.854 -11.384 0.673 1.00 45.25 C ATOM 1234 CG LEU A 79 24.296 -9.949 0.962 1.00 22.42 C ATOM 1235 CD1 LEU A 79 23.599 -9.415 2.203 1.00 41.33 C ATOM 1236 CD2 LEU A 79 25.808 -9.879 1.125 1.00 23.31 C ATOM 0 H LEU A 79 22.534 -11.805 -1.642 1.00 34.13 H new ATOM 0 HA LEU A 79 25.377 -11.639 -0.823 1.00 54.32 H new ATOM 0 HB2 LEU A 79 22.764 -11.412 0.664 1.00 45.25 H new ATOM 0 HB3 LEU A 79 24.182 -12.017 1.497 1.00 45.25 H new ATOM 0 HG LEU A 79 24.013 -9.325 0.115 1.00 22.42 H new ATOM 0 HD11 LEU A 79 23.926 -8.393 2.393 1.00 41.33 H new ATOM 0 HD12 LEU A 79 22.520 -9.428 2.048 1.00 41.33 H new ATOM 0 HD13 LEU A 79 23.850 -10.041 3.059 1.00 41.33 H new ATOM 0 HD21 LEU A 79 26.105 -8.850 1.330 1.00 23.31 H new ATOM 0 HD22 LEU A 79 26.115 -10.517 1.954 1.00 23.31 H new ATOM 0 HD23 LEU A 79 26.289 -10.219 0.208 1.00 23.31 H new ATOM 1248 N PRO A 80 25.448 -14.037 0.122 1.00 14.00 N ATOM 1249 CA PRO A 80 25.621 -15.480 0.316 1.00 41.14 C ATOM 1250 C PRO A 80 24.608 -16.060 1.296 1.00 21.40 C ATOM 1251 O PRO A 80 24.704 -15.842 2.504 1.00 0.41 O ATOM 1252 CB PRO A 80 27.039 -15.595 0.881 1.00 72.45 C ATOM 1253 CG PRO A 80 27.294 -14.280 1.533 1.00 25.51 C ATOM 1254 CD PRO A 80 26.551 -13.260 0.715 1.00 63.44 C ATOM 0 HA PRO A 80 25.470 -16.036 -0.609 1.00 41.14 H new ATOM 0 HB2 PRO A 80 27.115 -16.413 1.597 1.00 72.45 H new ATOM 0 HB3 PRO A 80 27.765 -15.793 0.092 1.00 72.45 H new ATOM 0 HG2 PRO A 80 26.944 -14.282 2.565 1.00 25.51 H new ATOM 0 HG3 PRO A 80 28.361 -14.058 1.558 1.00 25.51 H new ATOM 0 HD2 PRO A 80 26.180 -12.442 1.333 1.00 63.44 H new ATOM 0 HD3 PRO A 80 27.188 -12.817 -0.051 1.00 63.44 H new ATOM 1262 N ALA A 81 23.637 -16.798 0.769 1.00 32.45 N ATOM 1263 CA ALA A 81 22.607 -17.411 1.599 1.00 0.14 C ATOM 1264 C ALA A 81 23.225 -18.294 2.678 1.00 23.15 C ATOM 1265 O ALA A 81 22.651 -18.473 3.752 1.00 35.22 O ATOM 1266 CB ALA A 81 21.647 -18.219 0.739 1.00 1.12 C ATOM 0 H ALA A 81 23.542 -16.986 -0.229 1.00 32.45 H new ATOM 0 HA ALA A 81 22.051 -16.614 2.093 1.00 0.14 H new ATOM 0 HB1 ALA A 81 20.883 -18.671 1.372 1.00 1.12 H new ATOM 0 HB2 ALA A 81 21.172 -17.563 0.010 1.00 1.12 H new ATOM 0 HB3 ALA A 81 22.197 -19.003 0.218 1.00 1.12 H new ATOM 1272 N LYS A 82 24.398 -18.846 2.385 1.00 52.31 N ATOM 1273 CA LYS A 82 25.094 -19.711 3.329 1.00 64.02 C ATOM 1274 C LYS A 82 25.641 -18.905 4.503 1.00 31.13 C ATOM 1275 O LYS A 82 25.430 -19.261 5.662 1.00 60.00 O ATOM 1276 CB LYS A 82 26.237 -20.449 2.628 1.00 15.40 C ATOM 1277 CG LYS A 82 26.227 -21.949 2.865 1.00 55.43 C ATOM 1278 CD LYS A 82 27.592 -22.563 2.605 1.00 25.31 C ATOM 1279 CE LYS A 82 27.890 -22.653 1.117 1.00 43.03 C ATOM 1280 NZ LYS A 82 28.742 -21.524 0.653 1.00 1.31 N1+ ATOM 0 H LYS A 82 24.886 -18.709 1.500 1.00 52.31 H new ATOM 0 HA LYS A 82 24.379 -20.439 3.712 1.00 64.02 H new ATOM 0 HB2 LYS A 82 26.178 -20.258 1.556 1.00 15.40 H new ATOM 0 HB3 LYS A 82 27.187 -20.041 2.973 1.00 15.40 H new ATOM 0 HG2 LYS A 82 25.924 -22.154 3.892 1.00 55.43 H new ATOM 0 HG3 LYS A 82 25.487 -22.416 2.215 1.00 55.43 H new ATOM 0 HD2 LYS A 82 28.360 -21.965 3.095 1.00 25.31 H new ATOM 0 HD3 LYS A 82 27.634 -23.559 3.046 1.00 25.31 H new ATOM 0 HE2 LYS A 82 28.391 -23.597 0.903 1.00 43.03 H new ATOM 0 HE3 LYS A 82 26.954 -22.655 0.559 1.00 43.03 H new ATOM 0 HZ1 LYS A 82 28.923 -21.622 -0.367 1.00 1.31 H new ATOM 0 HZ2 LYS A 82 28.254 -20.624 0.834 1.00 1.31 H new ATOM 0 HZ3 LYS A 82 29.646 -21.537 1.167 1.00 1.31 H new ATOM 1294 N GLU A 83 26.342 -17.818 4.195 1.00 54.33 N ATOM 1295 CA GLU A 83 26.917 -16.963 5.226 1.00 72.13 C ATOM 1296 C GLU A 83 25.823 -16.333 6.083 1.00 22.30 C ATOM 1297 O GLU A 83 25.925 -16.292 7.309 1.00 41.13 O ATOM 1298 CB GLU A 83 27.777 -15.869 4.592 1.00 33.31 C ATOM 1299 CG GLU A 83 29.169 -15.763 5.192 1.00 73.20 C ATOM 1300 CD GLU A 83 29.142 -15.476 6.681 1.00 31.14 C ATOM 1301 OE1 GLU A 83 29.104 -14.286 7.057 1.00 42.32 O1- ATOM 1302 OE2 GLU A 83 29.156 -16.444 7.471 1.00 4.11 O ATOM 0 H GLU A 83 26.525 -17.509 3.240 1.00 54.33 H new ATOM 0 HA GLU A 83 27.545 -17.582 5.867 1.00 72.13 H new ATOM 0 HB2 GLU A 83 27.865 -16.062 3.523 1.00 33.31 H new ATOM 0 HB3 GLU A 83 27.270 -14.911 4.702 1.00 33.31 H new ATOM 0 HG2 GLU A 83 29.709 -16.693 5.015 1.00 73.20 H new ATOM 0 HG3 GLU A 83 29.721 -14.972 4.683 1.00 73.20 H new ATOM 1309 N ALA A 84 24.776 -15.841 5.428 1.00 31.35 N ATOM 1310 CA ALA A 84 23.663 -15.214 6.128 1.00 33.22 C ATOM 1311 C ALA A 84 23.134 -16.116 7.238 1.00 0.53 C ATOM 1312 O ALA A 84 23.006 -15.693 8.386 1.00 54.02 O ATOM 1313 CB ALA A 84 22.549 -14.870 5.148 1.00 63.32 C ATOM 0 H ALA A 84 24.676 -15.865 4.413 1.00 31.35 H new ATOM 0 HA ALA A 84 24.026 -14.294 6.586 1.00 33.22 H new ATOM 0 HB1 ALA A 84 21.724 -14.402 5.685 1.00 63.32 H new ATOM 0 HB2 ALA A 84 22.928 -14.181 4.393 1.00 63.32 H new ATOM 0 HB3 ALA A 84 22.197 -15.781 4.663 1.00 63.32 H new ATOM 1319 N MET A 85 22.826 -17.360 6.886 1.00 15.31 N ATOM 1320 CA MET A 85 22.310 -18.322 7.853 1.00 72.33 C ATOM 1321 C MET A 85 23.423 -18.817 8.773 1.00 13.11 C ATOM 1322 O MET A 85 23.170 -19.219 9.907 1.00 65.35 O ATOM 1323 CB MET A 85 21.665 -19.507 7.132 1.00 14.13 C ATOM 1324 CG MET A 85 20.352 -19.160 6.449 1.00 2.33 C ATOM 1325 SD MET A 85 19.936 -20.305 5.122 1.00 30.31 S ATOM 1326 CE MET A 85 19.807 -19.182 3.732 1.00 34.22 C ATOM 0 H MET A 85 22.925 -17.725 5.939 1.00 15.31 H new ATOM 0 HA MET A 85 21.556 -17.821 8.460 1.00 72.33 H new ATOM 0 HB2 MET A 85 22.362 -19.892 6.388 1.00 14.13 H new ATOM 0 HB3 MET A 85 21.491 -20.308 7.850 1.00 14.13 H new ATOM 0 HG2 MET A 85 19.551 -19.161 7.188 1.00 2.33 H new ATOM 0 HG3 MET A 85 20.413 -18.149 6.046 1.00 2.33 H new ATOM 0 HE1 MET A 85 18.760 -19.072 3.449 1.00 34.22 H new ATOM 0 HE2 MET A 85 20.211 -18.209 4.012 1.00 34.22 H new ATOM 0 HE3 MET A 85 20.371 -19.580 2.889 1.00 34.22 H new ATOM 1336 N ALA A 86 24.655 -18.785 8.275 1.00 22.40 N ATOM 1337 CA ALA A 86 25.805 -19.228 9.052 1.00 24.14 C ATOM 1338 C ALA A 86 25.998 -18.360 10.291 1.00 44.20 C ATOM 1339 O ALA A 86 26.502 -18.825 11.312 1.00 35.33 O ATOM 1340 CB ALA A 86 27.061 -19.213 8.193 1.00 41.43 C ATOM 0 H ALA A 86 24.882 -18.457 7.336 1.00 22.40 H new ATOM 0 HA ALA A 86 25.617 -20.250 9.382 1.00 24.14 H new ATOM 0 HB1 ALA A 86 27.912 -19.546 8.787 1.00 41.43 H new ATOM 0 HB2 ALA A 86 26.928 -19.881 7.342 1.00 41.43 H new ATOM 0 HB3 ALA A 86 27.244 -18.200 7.834 1.00 41.43 H new ATOM 1346 N GLN A 87 25.595 -17.097 10.192 1.00 21.33 N ATOM 1347 CA GLN A 87 25.726 -16.165 11.305 1.00 11.30 C ATOM 1348 C GLN A 87 24.502 -16.228 12.214 1.00 13.12 C ATOM 1349 O GLN A 87 24.151 -15.244 12.868 1.00 34.44 O ATOM 1350 CB GLN A 87 25.915 -14.739 10.783 1.00 62.44 C ATOM 1351 CG GLN A 87 27.349 -14.421 10.390 1.00 22.40 C ATOM 1352 CD GLN A 87 27.609 -12.930 10.286 1.00 42.41 C ATOM 1353 OE1 GLN A 87 27.405 -12.185 11.245 1.00 63.45 O ATOM 1354 NE2 GLN A 87 28.061 -12.488 9.118 1.00 23.23 N ATOM 0 H GLN A 87 25.175 -16.696 9.353 1.00 21.33 H new ATOM 0 HA GLN A 87 26.603 -16.452 11.886 1.00 11.30 H new ATOM 0 HB2 GLN A 87 25.268 -14.588 9.919 1.00 62.44 H new ATOM 0 HB3 GLN A 87 25.592 -14.034 11.549 1.00 62.44 H new ATOM 0 HG2 GLN A 87 28.028 -14.854 11.125 1.00 22.40 H new ATOM 0 HG3 GLN A 87 27.573 -14.893 9.433 1.00 22.40 H new ATOM 0 HE21 GLN A 87 28.216 -13.142 8.351 1.00 23.23 H new ATOM 0 HE22 GLN A 87 28.254 -11.495 8.988 1.00 23.23 H new ATOM 1363 N ASP A 88 23.857 -17.388 12.251 1.00 74.43 N ATOM 1364 CA ASP A 88 22.674 -17.580 13.081 1.00 30.11 C ATOM 1365 C ASP A 88 21.694 -16.424 12.904 1.00 61.34 C ATOM 1366 O ASP A 88 20.931 -16.097 13.813 1.00 12.20 O ATOM 1367 CB ASP A 88 23.071 -17.706 14.552 1.00 42.33 C ATOM 1368 CG ASP A 88 23.850 -18.977 14.834 1.00 10.02 C ATOM 1369 OD1 ASP A 88 23.786 -19.906 14.003 1.00 1.01 O1- ATOM 1370 OD2 ASP A 88 24.519 -19.042 15.886 1.00 73.51 O ATOM 0 H ASP A 88 24.134 -18.211 11.715 1.00 74.43 H new ATOM 0 HA ASP A 88 22.184 -18.501 12.765 1.00 30.11 H new ATOM 0 HB2 ASP A 88 23.673 -16.843 14.838 1.00 42.33 H new ATOM 0 HB3 ASP A 88 22.174 -17.688 15.171 1.00 42.33 H new ATOM 1375 N LYS A 89 21.720 -15.807 11.728 1.00 0.12 N ATOM 1376 CA LYS A 89 20.835 -14.686 11.430 1.00 50.20 C ATOM 1377 C LYS A 89 19.566 -15.167 10.734 1.00 23.34 C ATOM 1378 O LYS A 89 18.702 -14.367 10.375 1.00 54.12 O ATOM 1379 CB LYS A 89 21.554 -13.661 10.550 1.00 12.11 C ATOM 1380 CG LYS A 89 22.456 -12.719 11.328 1.00 1.11 C ATOM 1381 CD LYS A 89 21.679 -11.543 11.893 1.00 0.51 C ATOM 1382 CE LYS A 89 21.771 -11.490 13.411 1.00 23.00 C ATOM 1383 NZ LYS A 89 22.870 -10.595 13.869 1.00 64.21 N1+ ATOM 0 H LYS A 89 22.345 -16.064 10.964 1.00 0.12 H new ATOM 0 HA LYS A 89 20.557 -14.214 12.372 1.00 50.20 H new ATOM 0 HB2 LYS A 89 22.150 -14.188 9.805 1.00 12.11 H new ATOM 0 HB3 LYS A 89 20.812 -13.075 10.008 1.00 12.11 H new ATOM 0 HG2 LYS A 89 22.937 -13.263 12.141 1.00 1.11 H new ATOM 0 HG3 LYS A 89 23.249 -12.353 10.677 1.00 1.11 H new ATOM 0 HD2 LYS A 89 22.065 -10.615 11.472 1.00 0.51 H new ATOM 0 HD3 LYS A 89 20.634 -11.619 11.593 1.00 0.51 H new ATOM 0 HE2 LYS A 89 20.823 -11.140 13.820 1.00 23.00 H new ATOM 0 HE3 LYS A 89 21.935 -12.495 13.800 1.00 23.00 H new ATOM 0 HZ1 LYS A 89 22.900 -10.586 14.909 1.00 64.21 H new ATOM 0 HZ2 LYS A 89 23.778 -10.943 13.500 1.00 64.21 H new ATOM 0 HZ3 LYS A 89 22.701 -9.630 13.519 1.00 64.21 H new ATOM 1397 N MET A 90 19.458 -16.479 10.550 1.00 61.54 N ATOM 1398 CA MET A 90 18.291 -17.066 9.899 1.00 34.14 C ATOM 1399 C MET A 90 18.057 -18.492 10.387 1.00 23.11 C ATOM 1400 O MET A 90 19.003 -19.209 10.710 1.00 52.43 O ATOM 1401 CB MET A 90 18.469 -17.056 8.380 1.00 63.10 C ATOM 1402 CG MET A 90 17.934 -15.799 7.713 1.00 53.24 C ATOM 1403 SD MET A 90 19.125 -15.052 6.584 1.00 10.12 S ATOM 1404 CE MET A 90 20.145 -14.129 7.730 1.00 55.23 C ATOM 0 H MET A 90 20.163 -17.156 10.842 1.00 61.54 H new ATOM 0 HA MET A 90 17.420 -16.465 10.159 1.00 34.14 H new ATOM 0 HB2 MET A 90 19.529 -17.159 8.146 1.00 63.10 H new ATOM 0 HB3 MET A 90 17.964 -17.925 7.958 1.00 63.10 H new ATOM 0 HG2 MET A 90 17.023 -16.042 7.166 1.00 53.24 H new ATOM 0 HG3 MET A 90 17.661 -15.074 8.479 1.00 53.24 H new ATOM 0 HE1 MET A 90 20.777 -13.435 7.177 1.00 55.23 H new ATOM 0 HE2 MET A 90 19.508 -13.571 8.416 1.00 55.23 H new ATOM 0 HE3 MET A 90 20.772 -14.818 8.296 1.00 55.23 H new ATOM 1414 N GLU A 91 16.791 -18.895 10.438 1.00 65.45 N ATOM 1415 CA GLU A 91 16.434 -20.235 10.887 1.00 11.40 C ATOM 1416 C GLU A 91 15.665 -20.985 9.804 1.00 34.33 C ATOM 1417 O GLU A 91 14.507 -20.676 9.522 1.00 12.44 O ATOM 1418 CB GLU A 91 15.597 -20.163 12.166 1.00 33.13 C ATOM 1419 CG GLU A 91 16.145 -19.190 13.197 1.00 21.12 C ATOM 1420 CD GLU A 91 15.621 -17.780 13.005 1.00 24.32 C ATOM 1421 OE1 GLU A 91 14.413 -17.561 13.236 1.00 51.55 O ATOM 1422 OE2 GLU A 91 16.417 -16.897 12.624 1.00 0.55 O1- ATOM 0 H GLU A 91 15.996 -18.313 10.174 1.00 65.45 H new ATOM 0 HA GLU A 91 17.356 -20.778 11.095 1.00 11.40 H new ATOM 0 HB2 GLU A 91 14.579 -19.871 11.908 1.00 33.13 H new ATOM 0 HB3 GLU A 91 15.541 -21.157 12.610 1.00 33.13 H new ATOM 0 HG2 GLU A 91 15.882 -19.538 14.196 1.00 21.12 H new ATOM 0 HG3 GLU A 91 17.233 -19.180 13.139 1.00 21.12 H new ATOM 1429 N VAL A 92 16.316 -21.973 9.199 1.00 4.22 N ATOM 1430 CA VAL A 92 15.694 -22.769 8.148 1.00 10.32 C ATOM 1431 C VAL A 92 15.663 -24.246 8.522 1.00 5.13 C ATOM 1432 O VAL A 92 16.624 -24.777 9.079 1.00 24.13 O ATOM 1433 CB VAL A 92 16.435 -22.605 6.807 1.00 74.54 C ATOM 1434 CG1 VAL A 92 15.773 -23.444 5.725 1.00 44.34 C ATOM 1435 CG2 VAL A 92 16.485 -21.140 6.402 1.00 24.44 C ATOM 0 H VAL A 92 17.275 -22.242 9.419 1.00 4.22 H new ATOM 0 HA VAL A 92 14.673 -22.404 8.037 1.00 10.32 H new ATOM 0 HB VAL A 92 17.458 -22.959 6.932 1.00 74.54 H new ATOM 0 HG11 VAL A 92 16.310 -23.315 4.785 1.00 44.34 H new ATOM 0 HG12 VAL A 92 15.795 -24.495 6.015 1.00 44.34 H new ATOM 0 HG13 VAL A 92 14.739 -23.124 5.598 1.00 44.34 H new ATOM 0 HG21 VAL A 92 17.012 -21.043 5.453 1.00 24.44 H new ATOM 0 HG22 VAL A 92 15.470 -20.757 6.295 1.00 24.44 H new ATOM 0 HG23 VAL A 92 17.009 -20.568 7.168 1.00 24.44 H new ATOM 1445 N ASP A 93 14.553 -24.907 8.211 1.00 5.23 N ATOM 1446 CA ASP A 93 14.397 -26.325 8.512 1.00 71.33 C ATOM 1447 C ASP A 93 13.857 -27.081 7.303 1.00 3.43 C ATOM 1448 O ASP A 93 12.719 -26.873 6.885 1.00 70.13 O ATOM 1449 CB ASP A 93 13.460 -26.513 9.707 1.00 63.55 C ATOM 1450 CG ASP A 93 13.723 -25.509 10.812 1.00 64.33 C ATOM 1451 OD1 ASP A 93 13.224 -24.369 10.709 1.00 3.05 O ATOM 1452 OD2 ASP A 93 14.425 -25.864 11.781 1.00 61.15 O1- ATOM 0 H ASP A 93 13.748 -24.483 7.750 1.00 5.23 H new ATOM 0 HA ASP A 93 15.378 -26.729 8.761 1.00 71.33 H new ATOM 0 HB2 ASP A 93 12.427 -26.419 9.373 1.00 63.55 H new ATOM 0 HB3 ASP A 93 13.577 -27.522 10.102 1.00 63.55 H new ATOM 1457 N GLY A 94 14.683 -27.961 6.744 1.00 62.44 N ATOM 1458 CA GLY A 94 14.271 -28.734 5.587 1.00 54.13 C ATOM 1459 C GLY A 94 15.435 -29.434 4.914 1.00 34.44 C ATOM 1460 O GLY A 94 16.595 -29.148 5.210 1.00 31.24 O ATOM 0 H GLY A 94 15.630 -28.152 7.072 1.00 62.44 H new ATOM 0 HA2 GLY A 94 13.533 -29.475 5.893 1.00 54.13 H new ATOM 0 HA3 GLY A 94 13.782 -28.075 4.869 1.00 54.13 H new ATOM 1464 N GLN A 95 15.125 -30.354 4.007 1.00 20.11 N ATOM 1465 CA GLN A 95 16.155 -31.099 3.291 1.00 74.11 C ATOM 1466 C GLN A 95 17.137 -30.151 2.610 1.00 14.41 C ATOM 1467 O GLN A 95 16.762 -29.388 1.718 1.00 70.12 O ATOM 1468 CB GLN A 95 15.517 -32.024 2.253 1.00 43.12 C ATOM 1469 CG GLN A 95 16.260 -33.338 2.072 1.00 5.44 C ATOM 1470 CD GLN A 95 16.432 -34.095 3.373 1.00 62.14 C ATOM 1471 OE1 GLN A 95 15.576 -34.038 4.256 1.00 52.20 O ATOM 1472 NE2 GLN A 95 17.544 -34.811 3.498 1.00 15.42 N ATOM 0 H GLN A 95 14.170 -30.602 3.750 1.00 20.11 H new ATOM 0 HA GLN A 95 16.703 -31.702 4.016 1.00 74.11 H new ATOM 0 HB2 GLN A 95 14.489 -32.235 2.549 1.00 43.12 H new ATOM 0 HB3 GLN A 95 15.473 -31.506 1.295 1.00 43.12 H new ATOM 0 HG2 GLN A 95 15.718 -33.962 1.362 1.00 5.44 H new ATOM 0 HG3 GLN A 95 17.240 -33.140 1.639 1.00 5.44 H new ATOM 0 HE21 GLN A 95 18.227 -34.829 2.740 1.00 15.42 H new ATOM 0 HE22 GLN A 95 17.715 -35.342 4.352 1.00 15.42 H new ATOM 1481 N VAL A 96 18.394 -30.204 3.035 1.00 3.03 N ATOM 1482 CA VAL A 96 19.431 -29.351 2.466 1.00 31.30 C ATOM 1483 C VAL A 96 19.315 -29.285 0.947 1.00 11.34 C ATOM 1484 O VAL A 96 19.370 -28.206 0.358 1.00 40.02 O ATOM 1485 CB VAL A 96 20.838 -29.851 2.842 1.00 72.23 C ATOM 1486 CG1 VAL A 96 21.905 -28.951 2.236 1.00 73.33 C ATOM 1487 CG2 VAL A 96 20.990 -29.928 4.353 1.00 14.52 C ATOM 0 H VAL A 96 18.720 -30.829 3.772 1.00 3.03 H new ATOM 0 HA VAL A 96 19.285 -28.354 2.882 1.00 31.30 H new ATOM 0 HB VAL A 96 20.968 -30.854 2.435 1.00 72.23 H new ATOM 0 HG11 VAL A 96 22.893 -29.320 2.513 1.00 73.33 H new ATOM 0 HG12 VAL A 96 21.808 -28.952 1.150 1.00 73.33 H new ATOM 0 HG13 VAL A 96 21.780 -27.935 2.610 1.00 73.33 H new ATOM 0 HG21 VAL A 96 21.990 -30.283 4.600 1.00 14.52 H new ATOM 0 HG22 VAL A 96 20.839 -28.939 4.785 1.00 14.52 H new ATOM 0 HG23 VAL A 96 20.250 -30.618 4.758 1.00 14.52 H new ATOM 1497 N GLU A 97 19.155 -30.447 0.320 1.00 74.25 N ATOM 1498 CA GLU A 97 19.033 -30.520 -1.130 1.00 11.51 C ATOM 1499 C GLU A 97 17.858 -29.678 -1.620 1.00 42.00 C ATOM 1500 O GLU A 97 17.998 -28.871 -2.540 1.00 42.22 O ATOM 1501 CB GLU A 97 18.854 -31.972 -1.576 1.00 74.24 C ATOM 1502 CG GLU A 97 20.140 -32.624 -2.057 1.00 53.13 C ATOM 1503 CD GLU A 97 19.933 -33.484 -3.289 1.00 42.33 C ATOM 1504 OE1 GLU A 97 19.965 -32.933 -4.409 1.00 41.00 O1- ATOM 1505 OE2 GLU A 97 19.742 -34.707 -3.131 1.00 51.11 O ATOM 0 H GLU A 97 19.107 -31.349 0.794 1.00 74.25 H new ATOM 0 HA GLU A 97 19.950 -30.123 -1.567 1.00 11.51 H new ATOM 0 HB2 GLU A 97 18.451 -32.551 -0.745 1.00 74.24 H new ATOM 0 HB3 GLU A 97 18.116 -32.009 -2.377 1.00 74.24 H new ATOM 0 HG2 GLU A 97 20.875 -31.850 -2.278 1.00 53.13 H new ATOM 0 HG3 GLU A 97 20.554 -33.237 -1.256 1.00 53.13 H new ATOM 1512 N LEU A 98 16.699 -29.873 -1.000 1.00 4.22 N ATOM 1513 CA LEU A 98 15.498 -29.132 -1.372 1.00 45.51 C ATOM 1514 C LEU A 98 15.788 -27.638 -1.471 1.00 62.10 C ATOM 1515 O LEU A 98 15.517 -27.010 -2.494 1.00 75.13 O ATOM 1516 CB LEU A 98 14.385 -29.381 -0.353 1.00 63.45 C ATOM 1517 CG LEU A 98 13.712 -30.753 -0.417 1.00 24.15 C ATOM 1518 CD1 LEU A 98 12.853 -30.983 0.818 1.00 70.31 C ATOM 1519 CD2 LEU A 98 12.874 -30.877 -1.682 1.00 24.12 C ATOM 0 H LEU A 98 16.565 -30.538 -0.238 1.00 4.22 H new ATOM 0 HA LEU A 98 15.172 -29.485 -2.350 1.00 45.51 H new ATOM 0 HB2 LEU A 98 14.798 -29.247 0.647 1.00 63.45 H new ATOM 0 HB3 LEU A 98 13.620 -28.616 -0.486 1.00 63.45 H new ATOM 0 HG LEU A 98 14.489 -31.518 -0.443 1.00 24.15 H new ATOM 0 HD11 LEU A 98 12.382 -31.964 0.756 1.00 70.31 H new ATOM 0 HD12 LEU A 98 13.478 -30.937 1.710 1.00 70.31 H new ATOM 0 HD13 LEU A 98 12.083 -30.213 0.874 1.00 70.31 H new ATOM 0 HD21 LEU A 98 12.402 -31.859 -1.711 1.00 24.12 H new ATOM 0 HD22 LEU A 98 12.105 -30.105 -1.686 1.00 24.12 H new ATOM 0 HD23 LEU A 98 13.514 -30.756 -2.556 1.00 24.12 H new ATOM 1531 N ILE A 99 16.342 -27.077 -0.401 1.00 14.23 N ATOM 1532 CA ILE A 99 16.671 -25.657 -0.368 1.00 35.14 C ATOM 1533 C ILE A 99 17.857 -25.347 -1.277 1.00 52.03 C ATOM 1534 O ILE A 99 18.000 -24.227 -1.767 1.00 51.23 O ATOM 1535 CB ILE A 99 16.998 -25.188 1.062 1.00 70.21 C ATOM 1536 CG1 ILE A 99 18.225 -25.929 1.598 1.00 34.25 C ATOM 1537 CG2 ILE A 99 15.802 -25.403 1.976 1.00 43.42 C ATOM 1538 CD1 ILE A 99 18.775 -25.340 2.877 1.00 52.41 C ATOM 0 H ILE A 99 16.572 -27.584 0.454 1.00 14.23 H new ATOM 0 HA ILE A 99 15.792 -25.120 -0.725 1.00 35.14 H new ATOM 0 HB ILE A 99 17.224 -24.122 1.036 1.00 70.21 H new ATOM 0 HG12 ILE A 99 17.962 -26.972 1.772 1.00 34.25 H new ATOM 0 HG13 ILE A 99 19.006 -25.919 0.838 1.00 34.25 H new ATOM 0 HG21 ILE A 99 16.049 -25.067 2.983 1.00 43.42 H new ATOM 0 HG22 ILE A 99 14.951 -24.834 1.602 1.00 43.42 H new ATOM 0 HG23 ILE A 99 15.548 -26.463 1.999 1.00 43.42 H new ATOM 0 HD11 ILE A 99 19.643 -25.915 3.199 1.00 52.41 H new ATOM 0 HD12 ILE A 99 19.070 -24.305 2.704 1.00 52.41 H new ATOM 0 HD13 ILE A 99 18.009 -25.374 3.652 1.00 52.41 H new ATOM 1550 N PHE A 100 18.703 -26.347 -1.498 1.00 71.24 N ATOM 1551 CA PHE A 100 19.876 -26.183 -2.347 1.00 72.33 C ATOM 1552 C PHE A 100 19.483 -26.181 -3.822 1.00 42.50 C ATOM 1553 O PHE A 100 20.262 -25.772 -4.684 1.00 71.51 O ATOM 1554 CB PHE A 100 20.888 -27.298 -2.079 1.00 70.10 C ATOM 1555 CG PHE A 100 22.072 -27.269 -3.003 1.00 5.21 C ATOM 1556 CD1 PHE A 100 23.143 -26.426 -2.751 1.00 32.30 C ATOM 1557 CD2 PHE A 100 22.114 -28.083 -4.123 1.00 64.21 C ATOM 1558 CE1 PHE A 100 24.233 -26.397 -3.599 1.00 55.43 C ATOM 1559 CE2 PHE A 100 23.202 -28.059 -4.974 1.00 44.14 C ATOM 1560 CZ PHE A 100 24.263 -27.214 -4.713 1.00 4.43 C ATOM 0 H PHE A 100 18.598 -27.280 -1.100 1.00 71.24 H new ATOM 0 HA PHE A 100 20.334 -25.223 -2.109 1.00 72.33 H new ATOM 0 HB2 PHE A 100 21.239 -27.220 -1.050 1.00 70.10 H new ATOM 0 HB3 PHE A 100 20.388 -28.262 -2.173 1.00 70.10 H new ATOM 0 HD1 PHE A 100 23.125 -25.785 -1.882 1.00 32.30 H new ATOM 0 HD2 PHE A 100 21.286 -28.744 -4.333 1.00 64.21 H new ATOM 0 HE1 PHE A 100 25.061 -25.736 -3.391 1.00 55.43 H new ATOM 0 HE2 PHE A 100 23.223 -28.700 -5.843 1.00 44.14 H new ATOM 0 HZ PHE A 100 25.114 -27.192 -5.378 1.00 4.43 H new ATOM 1570 N LEU A 101 18.269 -26.641 -4.105 1.00 25.32 N ATOM 1571 CA LEU A 101 17.772 -26.694 -5.475 1.00 40.32 C ATOM 1572 C LEU A 101 17.374 -25.305 -5.964 1.00 65.23 C ATOM 1573 O LEU A 101 17.521 -24.985 -7.145 1.00 62.41 O ATOM 1574 CB LEU A 101 16.574 -27.641 -5.568 1.00 25.44 C ATOM 1575 CG LEU A 101 16.902 -29.129 -5.684 1.00 23.22 C ATOM 1576 CD1 LEU A 101 15.725 -29.974 -5.223 1.00 4.34 C ATOM 1577 CD2 LEU A 101 17.286 -29.481 -7.115 1.00 22.30 C ATOM 0 H LEU A 101 17.611 -26.982 -3.404 1.00 25.32 H new ATOM 0 HA LEU A 101 18.574 -27.068 -6.111 1.00 40.32 H new ATOM 0 HB2 LEU A 101 15.951 -27.495 -4.685 1.00 25.44 H new ATOM 0 HB3 LEU A 101 15.975 -27.353 -6.432 1.00 25.44 H new ATOM 0 HG LEU A 101 17.752 -29.345 -5.037 1.00 23.22 H new ATOM 0 HD11 LEU A 101 15.978 -31.030 -5.313 1.00 4.34 H new ATOM 0 HD12 LEU A 101 15.497 -29.743 -4.182 1.00 4.34 H new ATOM 0 HD13 LEU A 101 14.855 -29.755 -5.842 1.00 4.34 H new ATOM 0 HD21 LEU A 101 17.516 -30.544 -7.179 1.00 22.30 H new ATOM 0 HD22 LEU A 101 16.456 -29.249 -7.782 1.00 22.30 H new ATOM 0 HD23 LEU A 101 18.161 -28.902 -7.410 1.00 22.30 H new ATOM 1589 N LEU A 102 16.873 -24.482 -5.049 1.00 30.55 N ATOM 1590 CA LEU A 102 16.457 -23.125 -5.387 1.00 44.41 C ATOM 1591 C LEU A 102 17.649 -22.174 -5.387 1.00 35.10 C ATOM 1592 O LEU A 102 17.548 -21.037 -5.847 1.00 24.35 O ATOM 1593 CB LEU A 102 15.399 -22.634 -4.397 1.00 74.32 C ATOM 1594 CG LEU A 102 13.949 -22.975 -4.742 1.00 21.44 C ATOM 1595 CD1 LEU A 102 13.827 -24.432 -5.158 1.00 14.34 C ATOM 1596 CD2 LEU A 102 13.036 -22.678 -3.560 1.00 31.25 C ATOM 0 H LEU A 102 16.745 -24.730 -4.068 1.00 30.55 H new ATOM 0 HA LEU A 102 16.029 -23.142 -6.389 1.00 44.41 H new ATOM 0 HB2 LEU A 102 15.626 -23.052 -3.416 1.00 74.32 H new ATOM 0 HB3 LEU A 102 15.486 -21.551 -4.310 1.00 74.32 H new ATOM 0 HG LEU A 102 13.640 -22.352 -5.581 1.00 21.44 H new ATOM 0 HD11 LEU A 102 12.788 -24.656 -5.400 1.00 14.34 H new ATOM 0 HD12 LEU A 102 14.450 -24.614 -6.033 1.00 14.34 H new ATOM 0 HD13 LEU A 102 14.155 -25.073 -4.340 1.00 14.34 H new ATOM 0 HD21 LEU A 102 12.008 -22.926 -3.823 1.00 31.25 H new ATOM 0 HD22 LEU A 102 13.346 -23.275 -2.702 1.00 31.25 H new ATOM 0 HD23 LEU A 102 13.100 -21.620 -3.308 1.00 31.25 H new ATOM 1608 N GLU A 103 18.779 -22.648 -4.870 1.00 43.15 N ATOM 1609 CA GLU A 103 19.991 -21.840 -4.812 1.00 3.21 C ATOM 1610 C GLU A 103 20.441 -21.434 -6.213 1.00 63.23 C ATOM 1611 O GLU A 103 20.649 -20.257 -6.509 1.00 12.34 O ATOM 1612 CB GLU A 103 21.110 -22.609 -4.107 1.00 45.21 C ATOM 1613 CG GLU A 103 21.157 -22.377 -2.607 1.00 43.34 C ATOM 1614 CD GLU A 103 22.422 -22.918 -1.972 1.00 35.30 C ATOM 1615 OE1 GLU A 103 23.479 -22.891 -2.639 1.00 3.05 O ATOM 1616 OE2 GLU A 103 22.358 -23.370 -0.810 1.00 12.12 O1- ATOM 0 H GLU A 103 18.880 -23.587 -4.486 1.00 43.15 H new ATOM 0 HA GLU A 103 19.768 -20.936 -4.244 1.00 3.21 H new ATOM 0 HB2 GLU A 103 20.983 -23.675 -4.297 1.00 45.21 H new ATOM 0 HB3 GLU A 103 22.067 -22.320 -4.541 1.00 45.21 H new ATOM 0 HG2 GLU A 103 21.083 -21.308 -2.406 1.00 43.34 H new ATOM 0 HG3 GLU A 103 20.291 -22.850 -2.143 1.00 43.34 H new ATOM 1623 N PRO A 104 20.596 -22.431 -7.096 1.00 1.41 N ATOM 1624 CA PRO A 104 21.022 -22.203 -8.480 1.00 73.13 C ATOM 1625 C PRO A 104 19.951 -21.503 -9.310 1.00 4.23 C ATOM 1626 O PRO A 104 20.207 -21.069 -10.433 1.00 22.01 O ATOM 1627 CB PRO A 104 21.272 -23.617 -9.011 1.00 53.34 C ATOM 1628 CG PRO A 104 20.406 -24.495 -8.174 1.00 15.34 C ATOM 1629 CD PRO A 104 20.365 -23.858 -6.813 1.00 52.44 C ATOM 0 HA PRO A 104 21.894 -21.551 -8.536 1.00 73.13 H new ATOM 0 HB2 PRO A 104 21.012 -23.695 -10.067 1.00 53.34 H new ATOM 0 HB3 PRO A 104 22.322 -23.894 -8.920 1.00 53.34 H new ATOM 0 HG2 PRO A 104 19.405 -24.575 -8.598 1.00 15.34 H new ATOM 0 HG3 PRO A 104 20.811 -25.506 -8.120 1.00 15.34 H new ATOM 0 HD2 PRO A 104 19.405 -24.020 -6.322 1.00 52.44 H new ATOM 0 HD3 PRO A 104 21.132 -24.266 -6.155 1.00 52.44 H new ATOM 1637 N PHE A 105 18.751 -21.396 -8.749 1.00 2.15 N ATOM 1638 CA PHE A 105 17.641 -20.748 -9.438 1.00 32.10 C ATOM 1639 C PHE A 105 17.501 -19.295 -8.997 1.00 31.15 C ATOM 1640 O PHE A 105 16.835 -18.497 -9.657 1.00 64.30 O ATOM 1641 CB PHE A 105 16.337 -21.502 -9.167 1.00 54.33 C ATOM 1642 CG PHE A 105 16.398 -22.958 -9.535 1.00 41.41 C ATOM 1643 CD1 PHE A 105 17.293 -23.406 -10.494 1.00 1.41 C ATOM 1644 CD2 PHE A 105 15.561 -23.876 -8.923 1.00 74.43 C ATOM 1645 CE1 PHE A 105 17.351 -24.744 -10.834 1.00 3.32 C ATOM 1646 CE2 PHE A 105 15.615 -25.215 -9.259 1.00 11.53 C ATOM 1647 CZ PHE A 105 16.512 -25.650 -10.215 1.00 12.30 C ATOM 0 H PHE A 105 18.522 -21.749 -7.820 1.00 2.15 H new ATOM 0 HA PHE A 105 17.849 -20.766 -10.508 1.00 32.10 H new ATOM 0 HB2 PHE A 105 16.088 -21.413 -8.110 1.00 54.33 H new ATOM 0 HB3 PHE A 105 15.530 -21.028 -9.725 1.00 54.33 H new ATOM 0 HD1 PHE A 105 17.952 -22.702 -10.980 1.00 1.41 H new ATOM 0 HD2 PHE A 105 14.858 -23.541 -8.175 1.00 74.43 H new ATOM 0 HE1 PHE A 105 18.052 -25.081 -11.583 1.00 3.32 H new ATOM 0 HE2 PHE A 105 14.957 -25.921 -8.775 1.00 11.53 H new ATOM 0 HZ PHE A 105 16.557 -26.697 -10.478 1.00 12.30 H new ATOM 1657 N ILE A 106 18.134 -18.958 -7.878 1.00 24.22 N ATOM 1658 CA ILE A 106 18.082 -17.600 -7.350 1.00 75.54 C ATOM 1659 C ILE A 106 18.585 -16.592 -8.377 1.00 2.34 C ATOM 1660 O ILE A 106 18.011 -15.515 -8.537 1.00 3.54 O ATOM 1661 CB ILE A 106 18.916 -17.465 -6.062 1.00 33.34 C ATOM 1662 CG1 ILE A 106 18.172 -18.091 -4.880 1.00 1.44 C ATOM 1663 CG2 ILE A 106 19.226 -16.002 -5.784 1.00 24.41 C ATOM 1664 CD1 ILE A 106 19.088 -18.567 -3.774 1.00 25.24 C ATOM 0 H ILE A 106 18.689 -19.607 -7.320 1.00 24.22 H new ATOM 0 HA ILE A 106 17.037 -17.390 -7.120 1.00 75.54 H new ATOM 0 HB ILE A 106 19.858 -17.997 -6.198 1.00 33.34 H new ATOM 0 HG12 ILE A 106 17.473 -17.360 -4.473 1.00 1.44 H new ATOM 0 HG13 ILE A 106 17.580 -18.933 -5.238 1.00 1.44 H new ATOM 0 HG21 ILE A 106 19.816 -15.922 -4.871 1.00 24.41 H new ATOM 0 HG22 ILE A 106 19.790 -15.585 -6.618 1.00 24.41 H new ATOM 0 HG23 ILE A 106 18.294 -15.449 -5.664 1.00 24.41 H new ATOM 0 HD11 ILE A 106 18.493 -18.999 -2.969 1.00 25.24 H new ATOM 0 HD12 ILE A 106 19.770 -19.321 -4.166 1.00 25.24 H new ATOM 0 HD13 ILE A 106 19.662 -17.724 -3.389 1.00 25.24 H new ATOM 1676 N ALA A 107 19.662 -16.948 -9.070 1.00 3.35 N ATOM 1677 CA ALA A 107 20.240 -16.074 -10.084 1.00 34.20 C ATOM 1678 C ALA A 107 19.202 -15.683 -11.128 1.00 53.41 C ATOM 1679 O ALA A 107 19.167 -14.540 -11.584 1.00 32.33 O ATOM 1680 CB ALA A 107 21.430 -16.753 -10.747 1.00 64.22 C ATOM 0 H ALA A 107 20.151 -17.835 -8.948 1.00 3.35 H new ATOM 0 HA ALA A 107 20.582 -15.163 -9.593 1.00 34.20 H new ATOM 0 HB1 ALA A 107 21.853 -16.090 -11.502 1.00 64.22 H new ATOM 0 HB2 ALA A 107 22.187 -16.976 -9.995 1.00 64.22 H new ATOM 0 HB3 ALA A 107 21.104 -17.680 -11.219 1.00 64.22 H new ATOM 1686 N SER A 108 18.358 -16.638 -11.505 1.00 21.15 N ATOM 1687 CA SER A 108 17.321 -16.394 -12.500 1.00 44.42 C ATOM 1688 C SER A 108 16.510 -15.151 -12.146 1.00 32.13 C ATOM 1689 O SER A 108 15.983 -14.468 -13.025 1.00 64.31 O ATOM 1690 CB SER A 108 16.394 -17.607 -12.610 1.00 55.01 C ATOM 1691 OG SER A 108 15.574 -17.518 -13.762 1.00 5.42 O ATOM 0 H SER A 108 18.372 -17.589 -11.136 1.00 21.15 H new ATOM 0 HA SER A 108 17.807 -16.228 -13.462 1.00 44.42 H new ATOM 0 HB2 SER A 108 16.988 -18.520 -12.652 1.00 55.01 H new ATOM 0 HB3 SER A 108 15.769 -17.674 -11.719 1.00 55.01 H new ATOM 0 HG SER A 108 15.950 -18.076 -14.475 1.00 5.42 H new