USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 635 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 58 MET CE :methyl -158:sc= -1.26 (180deg=-1.66) USER MOD Set 1.2: A 70 MET CE :methyl 180:sc= -0.0511 (180deg=-0.0511) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ -148:sc= 0.325 (180deg=0.0337) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -80:sc= 0.0343 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= -0.125 (180deg=-0.255) USER MOD Single : A 48 LYS NZ :NH3+ -107:sc= 0.111 (180deg=-1.21) USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 50 MET CE :methyl -121:sc= -1.24 (180deg=-3.28) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : A 61 MET CE :methyl 173:sc= -2.4 (180deg=-2.8!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ 142:sc= 0.418 (180deg=0.0195) USER MOD Single : A 67 ASN : amide:sc= -0.649 X(o=-0.65,f=-0.51) USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 79 LYS NZ :NH3+ 176:sc= 0.757 (180deg=0.747) USER MOD Single : A 82 LYS NZ :NH3+ 165:sc= 0.234 (180deg=-0.137) USER MOD Single : A 83 LYS NZ :NH3+ 171:sc=-0.00379 (180deg=-0.0821) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 7 -1.179 -13.113 9.134 1.00 11.22 N ATOM 114 CA LYS A 7 0.173 -12.466 9.162 1.00 43.34 C ATOM 115 C LYS A 7 0.590 -11.916 7.771 1.00 52.12 C ATOM 116 O LYS A 7 1.339 -10.936 7.684 1.00 54.41 O ATOM 117 CB LYS A 7 1.256 -13.460 9.702 1.00 61.22 C ATOM 118 CG LYS A 7 1.426 -13.478 11.241 1.00 63.30 C ATOM 119 CD LYS A 7 0.146 -13.840 12.021 1.00 22.30 C ATOM 120 CE LYS A 7 0.335 -13.694 13.542 1.00 14.54 C ATOM 121 NZ LYS A 7 -0.927 -13.934 14.285 1.00 64.33 N ATOM 0 HA LYS A 7 0.104 -11.617 9.842 1.00 43.34 H new ATOM 0 HB2 LYS A 7 1.001 -14.466 9.369 1.00 61.22 H new ATOM 0 HB3 LYS A 7 2.215 -13.208 9.250 1.00 61.22 H new ATOM 0 HG2 LYS A 7 2.208 -14.192 11.499 1.00 63.30 H new ATOM 0 HG3 LYS A 7 1.770 -12.497 11.567 1.00 63.30 H new ATOM 0 HD2 LYS A 7 -0.671 -13.197 11.694 1.00 22.30 H new ATOM 0 HD3 LYS A 7 -0.142 -14.865 11.788 1.00 22.30 H new ATOM 0 HE2 LYS A 7 1.095 -14.397 13.882 1.00 14.54 H new ATOM 0 HE3 LYS A 7 0.703 -12.693 13.767 1.00 14.54 H new ATOM 0 HZ1 LYS A 7 -0.755 -13.826 15.305 1.00 64.33 H new ATOM 0 HZ2 LYS A 7 -1.645 -13.247 13.980 1.00 64.33 H new ATOM 0 HZ3 LYS A 7 -1.266 -14.898 14.091 1.00 64.33 H new ATOM 135 N LEU A 8 0.123 -12.589 6.703 1.00 23.13 N ATOM 136 CA LEU A 8 0.279 -12.137 5.300 1.00 32.52 C ATOM 137 C LEU A 8 -0.395 -10.750 5.128 1.00 74.24 C ATOM 138 O LEU A 8 0.195 -9.813 4.574 1.00 34.02 O ATOM 139 CB LEU A 8 -0.354 -13.223 4.358 1.00 35.20 C ATOM 140 CG LEU A 8 -0.034 -13.167 2.816 1.00 31.13 C ATOM 141 CD1 LEU A 8 -0.462 -14.481 2.116 1.00 23.33 C ATOM 142 CD2 LEU A 8 -0.683 -11.957 2.103 1.00 35.14 C ATOM 0 H LEU A 8 -0.380 -13.473 6.787 1.00 23.13 H new ATOM 0 HA LEU A 8 1.331 -12.023 5.037 1.00 32.52 H new ATOM 0 HB2 LEU A 8 -0.042 -14.201 4.725 1.00 35.20 H new ATOM 0 HB3 LEU A 8 -1.437 -13.170 4.473 1.00 35.20 H new ATOM 0 HG LEU A 8 1.046 -13.045 2.737 1.00 31.13 H new ATOM 0 HD11 LEU A 8 -0.231 -14.419 1.053 1.00 23.33 H new ATOM 0 HD12 LEU A 8 0.077 -15.320 2.556 1.00 23.33 H new ATOM 0 HD13 LEU A 8 -1.534 -14.630 2.246 1.00 23.33 H new ATOM 0 HD21 LEU A 8 -0.424 -11.977 1.044 1.00 35.14 H new ATOM 0 HD22 LEU A 8 -1.766 -12.008 2.213 1.00 35.14 H new ATOM 0 HD23 LEU A 8 -0.316 -11.032 2.549 1.00 35.14 H new ATOM 154 N LEU A 9 -1.640 -10.651 5.624 1.00 24.32 N ATOM 155 CA LEU A 9 -2.438 -9.407 5.584 1.00 33.03 C ATOM 156 C LEU A 9 -1.823 -8.314 6.500 1.00 13.31 C ATOM 157 O LEU A 9 -1.840 -7.134 6.162 1.00 64.02 O ATOM 158 CB LEU A 9 -3.900 -9.721 6.005 1.00 74.35 C ATOM 159 CG LEU A 9 -4.594 -10.907 5.248 1.00 54.24 C ATOM 160 CD1 LEU A 9 -6.024 -11.154 5.779 1.00 34.52 C ATOM 161 CD2 LEU A 9 -4.590 -10.694 3.708 1.00 34.10 C ATOM 0 H LEU A 9 -2.125 -11.432 6.066 1.00 24.32 H new ATOM 0 HA LEU A 9 -2.432 -9.017 4.566 1.00 33.03 H new ATOM 0 HB2 LEU A 9 -3.910 -9.942 7.072 1.00 74.35 H new ATOM 0 HB3 LEU A 9 -4.500 -8.823 5.860 1.00 74.35 H new ATOM 0 HG LEU A 9 -4.007 -11.803 5.449 1.00 54.24 H new ATOM 0 HD11 LEU A 9 -6.477 -11.982 5.233 1.00 34.52 H new ATOM 0 HD12 LEU A 9 -5.981 -11.399 6.840 1.00 34.52 H new ATOM 0 HD13 LEU A 9 -6.625 -10.255 5.638 1.00 34.52 H new ATOM 0 HD21 LEU A 9 -5.080 -11.538 3.223 1.00 34.10 H new ATOM 0 HD22 LEU A 9 -5.125 -9.776 3.466 1.00 34.10 H new ATOM 0 HD23 LEU A 9 -3.562 -10.619 3.354 1.00 34.10 H new ATOM 173 N GLU A 10 -1.264 -8.749 7.649 1.00 73.13 N ATOM 174 CA GLU A 10 -0.603 -7.865 8.642 1.00 22.43 C ATOM 175 C GLU A 10 0.721 -7.270 8.104 1.00 13.44 C ATOM 176 O GLU A 10 1.142 -6.188 8.531 1.00 31.25 O ATOM 177 CB GLU A 10 -0.349 -8.627 9.972 1.00 45.03 C ATOM 178 CG GLU A 10 -1.630 -9.007 10.751 1.00 33.01 C ATOM 179 CD GLU A 10 -1.342 -9.753 12.067 1.00 53.23 C ATOM 180 OE1 GLU A 10 -0.842 -9.114 13.017 1.00 63.32 O ATOM 181 OE2 GLU A 10 -1.604 -10.974 12.158 1.00 13.31 O ATOM 0 H GLU A 10 -1.257 -9.733 7.919 1.00 73.13 H new ATOM 0 HA GLU A 10 -1.282 -7.034 8.832 1.00 22.43 H new ATOM 0 HB2 GLU A 10 0.211 -9.536 9.753 1.00 45.03 H new ATOM 0 HB3 GLU A 10 0.281 -8.011 10.614 1.00 45.03 H new ATOM 0 HG2 GLU A 10 -2.196 -8.102 10.971 1.00 33.01 H new ATOM 0 HG3 GLU A 10 -2.261 -9.631 10.118 1.00 33.01 H new ATOM 188 N LYS A 11 1.389 -8.006 7.199 1.00 10.35 N ATOM 189 CA LYS A 11 2.578 -7.506 6.475 1.00 23.32 C ATOM 190 C LYS A 11 2.192 -6.302 5.571 1.00 22.21 C ATOM 191 O LYS A 11 2.922 -5.302 5.502 1.00 32.42 O ATOM 192 CB LYS A 11 3.207 -8.665 5.645 1.00 72.54 C ATOM 193 CG LYS A 11 4.408 -8.273 4.749 1.00 1.52 C ATOM 194 CD LYS A 11 5.611 -7.709 5.538 1.00 51.11 C ATOM 195 CE LYS A 11 6.766 -7.276 4.611 1.00 13.12 C ATOM 196 NZ LYS A 11 7.878 -6.628 5.359 1.00 10.23 N ATOM 0 H LYS A 11 1.125 -8.959 6.948 1.00 10.35 H new ATOM 0 HA LYS A 11 3.321 -7.154 7.191 1.00 23.32 H new ATOM 0 HB2 LYS A 11 3.530 -9.446 6.333 1.00 72.54 H new ATOM 0 HB3 LYS A 11 2.431 -9.097 5.013 1.00 72.54 H new ATOM 0 HG2 LYS A 11 4.732 -9.149 4.186 1.00 1.52 H new ATOM 0 HG3 LYS A 11 4.081 -7.530 4.022 1.00 1.52 H new ATOM 0 HD2 LYS A 11 5.285 -6.855 6.132 1.00 51.11 H new ATOM 0 HD3 LYS A 11 5.972 -8.464 6.236 1.00 51.11 H new ATOM 0 HE2 LYS A 11 7.148 -8.147 4.079 1.00 13.12 H new ATOM 0 HE3 LYS A 11 6.386 -6.585 3.859 1.00 13.12 H new ATOM 0 HZ1 LYS A 11 8.329 -5.910 4.757 1.00 10.23 H new ATOM 0 HZ2 LYS A 11 7.502 -6.175 6.216 1.00 10.23 H new ATOM 0 HZ3 LYS A 11 8.581 -7.346 5.627 1.00 10.23 H new ATOM 210 N LEU A 12 1.019 -6.417 4.909 1.00 70.41 N ATOM 211 CA LEU A 12 0.434 -5.341 4.071 1.00 33.01 C ATOM 212 C LEU A 12 0.019 -4.132 4.951 1.00 22.13 C ATOM 213 O LEU A 12 0.197 -2.979 4.549 1.00 71.01 O ATOM 214 CB LEU A 12 -0.771 -5.933 3.254 1.00 74.30 C ATOM 215 CG LEU A 12 -1.320 -5.113 2.017 1.00 12.20 C ATOM 216 CD1 LEU A 12 -2.204 -3.918 2.426 1.00 74.22 C ATOM 217 CD2 LEU A 12 -0.173 -4.658 1.078 1.00 64.42 C ATOM 0 H LEU A 12 0.448 -7.261 4.940 1.00 70.41 H new ATOM 0 HA LEU A 12 1.174 -4.968 3.363 1.00 33.01 H new ATOM 0 HB2 LEU A 12 -0.475 -6.918 2.894 1.00 74.30 H new ATOM 0 HB3 LEU A 12 -1.599 -6.083 3.946 1.00 74.30 H new ATOM 0 HG LEU A 12 -1.961 -5.801 1.465 1.00 12.20 H new ATOM 0 HD11 LEU A 12 -2.548 -3.397 1.532 1.00 74.22 H new ATOM 0 HD12 LEU A 12 -3.064 -4.278 2.990 1.00 74.22 H new ATOM 0 HD13 LEU A 12 -1.625 -3.232 3.045 1.00 74.22 H new ATOM 0 HD21 LEU A 12 -0.589 -4.098 0.240 1.00 64.42 H new ATOM 0 HD22 LEU A 12 0.520 -4.023 1.631 1.00 64.42 H new ATOM 0 HD23 LEU A 12 0.358 -5.533 0.702 1.00 64.42 H new ATOM 229 N GLU A 13 -0.515 -4.422 6.157 1.00 11.14 N ATOM 230 CA GLU A 13 -0.873 -3.396 7.171 1.00 32.41 C ATOM 231 C GLU A 13 0.331 -2.514 7.547 1.00 63.31 C ATOM 232 O GLU A 13 0.220 -1.293 7.556 1.00 31.12 O ATOM 233 CB GLU A 13 -1.447 -4.068 8.450 1.00 74.43 C ATOM 234 CG GLU A 13 -2.763 -4.835 8.237 1.00 43.35 C ATOM 235 CD GLU A 13 -3.938 -3.924 7.867 1.00 21.43 C ATOM 236 OE1 GLU A 13 -4.139 -3.639 6.668 1.00 24.42 O ATOM 237 OE2 GLU A 13 -4.659 -3.472 8.787 1.00 31.01 O ATOM 0 H GLU A 13 -0.712 -5.376 6.460 1.00 11.14 H new ATOM 0 HA GLU A 13 -1.634 -2.757 6.723 1.00 32.41 H new ATOM 0 HB2 GLU A 13 -0.701 -4.756 8.848 1.00 74.43 H new ATOM 0 HB3 GLU A 13 -1.608 -3.300 9.206 1.00 74.43 H new ATOM 0 HG2 GLU A 13 -2.622 -5.574 7.448 1.00 43.35 H new ATOM 0 HG3 GLU A 13 -3.008 -5.383 9.147 1.00 43.35 H new ATOM 244 N LYS A 14 1.482 -3.153 7.838 1.00 11.40 N ATOM 245 CA LYS A 14 2.736 -2.434 8.166 1.00 14.14 C ATOM 246 C LYS A 14 3.193 -1.509 7.013 1.00 25.00 C ATOM 247 O LYS A 14 3.759 -0.443 7.269 1.00 42.03 O ATOM 248 CB LYS A 14 3.872 -3.424 8.509 1.00 54.43 C ATOM 249 CG LYS A 14 3.663 -4.254 9.799 1.00 12.50 C ATOM 250 CD LYS A 14 4.919 -5.087 10.168 1.00 2.52 C ATOM 251 CE LYS A 14 6.140 -4.203 10.476 1.00 20.31 C ATOM 252 NZ LYS A 14 7.370 -5.001 10.717 1.00 64.42 N ATOM 0 H LYS A 14 1.572 -4.169 7.853 1.00 11.40 H new ATOM 0 HA LYS A 14 2.520 -1.816 9.038 1.00 14.14 H new ATOM 0 HB2 LYS A 14 3.998 -4.111 7.672 1.00 54.43 H new ATOM 0 HB3 LYS A 14 4.802 -2.864 8.604 1.00 54.43 H new ATOM 0 HG2 LYS A 14 3.417 -3.585 10.624 1.00 12.50 H new ATOM 0 HG3 LYS A 14 2.812 -4.922 9.666 1.00 12.50 H new ATOM 0 HD2 LYS A 14 4.697 -5.710 11.035 1.00 2.52 H new ATOM 0 HD3 LYS A 14 5.160 -5.760 9.345 1.00 2.52 H new ATOM 0 HE2 LYS A 14 6.310 -3.520 9.643 1.00 20.31 H new ATOM 0 HE3 LYS A 14 5.930 -3.590 11.353 1.00 20.31 H new ATOM 0 HZ1 LYS A 14 8.165 -4.361 10.920 1.00 64.42 H new ATOM 0 HZ2 LYS A 14 7.219 -5.634 11.528 1.00 64.42 H new ATOM 0 HZ3 LYS A 14 7.588 -5.566 9.872 1.00 64.42 H new ATOM 266 N ILE A 15 2.945 -1.932 5.752 1.00 13.21 N ATOM 267 CA ILE A 15 3.254 -1.110 4.557 1.00 32.21 C ATOM 268 C ILE A 15 2.342 0.142 4.505 1.00 32.33 C ATOM 269 O ILE A 15 2.819 1.235 4.222 1.00 31.30 O ATOM 270 CB ILE A 15 3.107 -1.931 3.218 1.00 50.23 C ATOM 271 CG1 ILE A 15 4.020 -3.203 3.237 1.00 70.51 C ATOM 272 CG2 ILE A 15 3.425 -1.048 1.978 1.00 21.44 C ATOM 273 CD1 ILE A 15 3.843 -4.131 2.047 1.00 33.31 C ATOM 0 H ILE A 15 2.531 -2.839 5.535 1.00 13.21 H new ATOM 0 HA ILE A 15 4.295 -0.798 4.646 1.00 32.21 H new ATOM 0 HB ILE A 15 2.069 -2.256 3.143 1.00 50.23 H new ATOM 0 HG12 ILE A 15 5.062 -2.885 3.280 1.00 70.51 H new ATOM 0 HG13 ILE A 15 3.820 -3.763 4.150 1.00 70.51 H new ATOM 0 HG21 ILE A 15 3.315 -1.642 1.071 1.00 21.44 H new ATOM 0 HG22 ILE A 15 2.735 -0.205 1.945 1.00 21.44 H new ATOM 0 HG23 ILE A 15 4.448 -0.678 2.048 1.00 21.44 H new ATOM 0 HD11 ILE A 15 4.516 -4.983 2.147 1.00 33.31 H new ATOM 0 HD12 ILE A 15 2.812 -4.484 2.011 1.00 33.31 H new ATOM 0 HD13 ILE A 15 4.074 -3.592 1.128 1.00 33.31 H new ATOM 285 N LEU A 16 1.033 -0.040 4.798 1.00 70.34 N ATOM 286 CA LEU A 16 0.033 1.067 4.825 1.00 52.10 C ATOM 287 C LEU A 16 0.390 2.135 5.883 1.00 51.45 C ATOM 288 O LEU A 16 0.410 3.330 5.603 1.00 65.54 O ATOM 289 CB LEU A 16 -1.389 0.518 5.110 1.00 11.20 C ATOM 290 CG LEU A 16 -1.946 -0.508 4.083 1.00 20.10 C ATOM 291 CD1 LEU A 16 -3.323 -1.055 4.518 1.00 13.04 C ATOM 292 CD2 LEU A 16 -2.013 0.070 2.660 1.00 62.15 C ATOM 0 H LEU A 16 0.636 -0.952 5.022 1.00 70.34 H new ATOM 0 HA LEU A 16 0.051 1.535 3.841 1.00 52.10 H new ATOM 0 HB2 LEU A 16 -1.385 0.050 6.094 1.00 11.20 H new ATOM 0 HB3 LEU A 16 -2.078 1.361 5.161 1.00 11.20 H new ATOM 0 HG LEU A 16 -1.242 -1.340 4.063 1.00 20.10 H new ATOM 0 HD11 LEU A 16 -3.682 -1.769 3.777 1.00 13.04 H new ATOM 0 HD12 LEU A 16 -3.229 -1.551 5.484 1.00 13.04 H new ATOM 0 HD13 LEU A 16 -4.032 -0.231 4.601 1.00 13.04 H new ATOM 0 HD21 LEU A 16 -2.408 -0.684 1.979 1.00 62.15 H new ATOM 0 HD22 LEU A 16 -2.665 0.943 2.652 1.00 62.15 H new ATOM 0 HD23 LEU A 16 -1.013 0.361 2.338 1.00 62.15 H new ATOM 304 N ASP A 17 0.689 1.670 7.090 1.00 2.14 N ATOM 305 CA ASP A 17 1.062 2.529 8.228 1.00 34.51 C ATOM 306 C ASP A 17 2.426 3.246 7.993 1.00 63.42 C ATOM 307 O ASP A 17 2.652 4.354 8.497 1.00 3.10 O ATOM 308 CB ASP A 17 1.086 1.669 9.517 1.00 42.24 C ATOM 309 CG ASP A 17 -0.314 1.152 9.948 1.00 4.43 C ATOM 310 OD1 ASP A 17 -1.111 0.704 9.089 1.00 60.35 O ATOM 311 OD2 ASP A 17 -0.625 1.185 11.157 1.00 12.43 O ATOM 0 H ASP A 17 0.682 0.676 7.318 1.00 2.14 H new ATOM 0 HA ASP A 17 0.319 3.319 8.334 1.00 34.51 H new ATOM 0 HB2 ASP A 17 1.747 0.816 9.362 1.00 42.24 H new ATOM 0 HB3 ASP A 17 1.512 2.259 10.329 1.00 42.24 H new ATOM 316 N GLU A 18 3.306 2.598 7.202 1.00 24.13 N ATOM 317 CA GLU A 18 4.632 3.144 6.827 1.00 13.24 C ATOM 318 C GLU A 18 4.521 4.199 5.694 1.00 10.23 C ATOM 319 O GLU A 18 5.227 5.209 5.715 1.00 31.00 O ATOM 320 CB GLU A 18 5.574 1.985 6.377 1.00 32.32 C ATOM 321 CG GLU A 18 7.055 2.385 6.187 1.00 75.34 C ATOM 322 CD GLU A 18 7.735 2.780 7.511 1.00 3.40 C ATOM 323 OE1 GLU A 18 8.248 1.883 8.217 1.00 0.55 O ATOM 324 OE2 GLU A 18 7.751 3.984 7.857 1.00 22.33 O ATOM 0 H GLU A 18 3.119 1.678 6.803 1.00 24.13 H new ATOM 0 HA GLU A 18 5.047 3.639 7.705 1.00 13.24 H new ATOM 0 HB2 GLU A 18 5.521 1.186 7.116 1.00 32.32 H new ATOM 0 HB3 GLU A 18 5.200 1.576 5.438 1.00 32.32 H new ATOM 0 HG2 GLU A 18 7.598 1.553 5.738 1.00 75.34 H new ATOM 0 HG3 GLU A 18 7.116 3.219 5.488 1.00 75.34 H new ATOM 331 N VAL A 19 3.634 3.952 4.703 1.00 21.14 N ATOM 332 CA VAL A 19 3.466 4.852 3.531 1.00 41.31 C ATOM 333 C VAL A 19 2.711 6.143 3.908 1.00 22.42 C ATOM 334 O VAL A 19 3.033 7.207 3.401 1.00 53.33 O ATOM 335 CB VAL A 19 2.779 4.141 2.294 1.00 11.14 C ATOM 336 CG1 VAL A 19 1.376 3.625 2.619 1.00 43.24 C ATOM 337 CG2 VAL A 19 2.756 5.067 1.050 1.00 10.11 C ATOM 0 H VAL A 19 3.021 3.137 4.689 1.00 21.14 H new ATOM 0 HA VAL A 19 4.475 5.122 3.218 1.00 41.31 H new ATOM 0 HB VAL A 19 3.391 3.270 2.059 1.00 11.14 H new ATOM 0 HG11 VAL A 19 0.951 3.147 1.737 1.00 43.24 H new ATOM 0 HG12 VAL A 19 1.434 2.901 3.432 1.00 43.24 H new ATOM 0 HG13 VAL A 19 0.742 4.459 2.920 1.00 43.24 H new ATOM 0 HG21 VAL A 19 2.278 4.548 0.219 1.00 10.11 H new ATOM 0 HG22 VAL A 19 2.197 5.974 1.282 1.00 10.11 H new ATOM 0 HG23 VAL A 19 3.777 5.331 0.774 1.00 10.11 H new ATOM 347 N THR A 20 1.729 6.035 4.821 1.00 53.32 N ATOM 348 CA THR A 20 1.010 7.215 5.370 1.00 61.31 C ATOM 349 C THR A 20 1.974 8.144 6.161 1.00 70.11 C ATOM 350 O THR A 20 1.753 9.357 6.244 1.00 35.21 O ATOM 351 CB THR A 20 -0.186 6.788 6.288 1.00 65.23 C ATOM 352 OG1 THR A 20 0.297 6.001 7.392 1.00 3.42 O ATOM 353 CG2 THR A 20 -1.255 5.979 5.516 1.00 34.03 C ATOM 0 H THR A 20 1.409 5.143 5.199 1.00 53.32 H new ATOM 0 HA THR A 20 0.610 7.765 4.518 1.00 61.31 H new ATOM 0 HB THR A 20 -0.654 7.703 6.653 1.00 65.23 H new ATOM 0 HG1 THR A 20 0.441 5.078 7.097 1.00 3.42 H new ATOM 0 HG21 THR A 20 -2.064 5.705 6.194 1.00 34.03 H new ATOM 0 HG22 THR A 20 -1.653 6.585 4.702 1.00 34.03 H new ATOM 0 HG23 THR A 20 -0.803 5.075 5.107 1.00 34.03 H new ATOM 361 N ASP A 21 3.051 7.552 6.724 1.00 23.31 N ATOM 362 CA ASP A 21 4.134 8.306 7.395 1.00 13.11 C ATOM 363 C ASP A 21 5.126 8.912 6.356 1.00 45.23 C ATOM 364 O ASP A 21 5.469 10.096 6.434 1.00 0.54 O ATOM 365 CB ASP A 21 4.874 7.376 8.394 1.00 53.30 C ATOM 366 CG ASP A 21 5.924 8.110 9.249 1.00 21.44 C ATOM 367 OD1 ASP A 21 5.536 8.804 10.215 1.00 45.53 O ATOM 368 OD2 ASP A 21 7.137 8.016 8.957 1.00 25.33 O ATOM 0 H ASP A 21 3.194 6.542 6.726 1.00 23.31 H new ATOM 0 HA ASP A 21 3.693 9.137 7.945 1.00 13.11 H new ATOM 0 HB2 ASP A 21 4.143 6.907 9.053 1.00 53.30 H new ATOM 0 HB3 ASP A 21 5.363 6.575 7.840 1.00 53.30 H new ATOM 373 N GLY A 22 5.566 8.091 5.377 1.00 45.34 N ATOM 374 CA GLY A 22 6.536 8.520 4.337 1.00 30.41 C ATOM 375 C GLY A 22 5.888 9.153 3.089 1.00 20.23 C ATOM 376 O GLY A 22 6.522 9.247 2.030 1.00 50.40 O ATOM 0 H GLY A 22 5.264 7.121 5.283 1.00 45.34 H new ATOM 0 HA2 GLY A 22 7.228 9.238 4.776 1.00 30.41 H new ATOM 0 HA3 GLY A 22 7.125 7.657 4.028 1.00 30.41 H new ATOM 380 N ALA A 23 4.621 9.568 3.229 1.00 60.31 N ATOM 381 CA ALA A 23 3.831 10.224 2.164 1.00 62.32 C ATOM 382 C ALA A 23 4.171 11.722 1.972 1.00 11.14 C ATOM 383 O ALA A 23 4.658 12.378 2.900 1.00 3.01 O ATOM 384 CB ALA A 23 2.342 10.111 2.517 1.00 12.32 C ATOM 0 H ALA A 23 4.102 9.457 4.100 1.00 60.31 H new ATOM 0 HA ALA A 23 4.076 9.715 1.232 1.00 62.32 H new ATOM 0 HB1 ALA A 23 1.746 10.591 1.740 1.00 12.32 H new ATOM 0 HB2 ALA A 23 2.064 9.060 2.590 1.00 12.32 H new ATOM 0 HB3 ALA A 23 2.156 10.602 3.472 1.00 12.32 H new ATOM 390 N PRO A 24 3.912 12.285 0.748 1.00 44.45 N ATOM 391 CA PRO A 24 3.722 13.743 0.584 1.00 3.15 C ATOM 392 C PRO A 24 2.412 14.205 1.295 1.00 73.41 C ATOM 393 O PRO A 24 1.406 13.489 1.270 1.00 63.24 O ATOM 394 CB PRO A 24 3.663 13.939 -0.955 1.00 53.41 C ATOM 395 CG PRO A 24 3.288 12.593 -1.508 1.00 51.05 C ATOM 396 CD PRO A 24 3.862 11.569 -0.553 1.00 14.44 C ATOM 0 HA PRO A 24 4.516 14.340 1.034 1.00 3.15 H new ATOM 0 HB2 PRO A 24 2.928 14.696 -1.228 1.00 53.41 H new ATOM 0 HB3 PRO A 24 4.624 14.272 -1.347 1.00 53.41 H new ATOM 0 HG2 PRO A 24 2.205 12.491 -1.583 1.00 51.05 H new ATOM 0 HG3 PRO A 24 3.691 12.458 -2.512 1.00 51.05 H new ATOM 0 HD2 PRO A 24 3.235 10.680 -0.496 1.00 14.44 H new ATOM 0 HD3 PRO A 24 4.853 11.241 -0.867 1.00 14.44 H new ATOM 404 N ASP A 25 2.445 15.413 1.884 1.00 44.52 N ATOM 405 CA ASP A 25 1.443 15.893 2.883 1.00 63.14 C ATOM 406 C ASP A 25 -0.048 15.785 2.429 1.00 4.04 C ATOM 407 O ASP A 25 -0.882 15.219 3.142 1.00 40.53 O ATOM 408 CB ASP A 25 1.792 17.352 3.268 1.00 34.11 C ATOM 409 CG ASP A 25 0.849 17.962 4.316 1.00 42.14 C ATOM 410 OD1 ASP A 25 0.968 17.615 5.512 1.00 53.03 O ATOM 411 OD2 ASP A 25 -0.025 18.779 3.949 1.00 34.11 O ATOM 0 H ASP A 25 3.172 16.100 1.685 1.00 44.52 H new ATOM 0 HA ASP A 25 1.514 15.226 3.742 1.00 63.14 H new ATOM 0 HB2 ASP A 25 2.812 17.382 3.650 1.00 34.11 H new ATOM 0 HB3 ASP A 25 1.770 17.970 2.370 1.00 34.11 H new ATOM 416 N GLU A 26 -0.360 16.339 1.250 1.00 52.35 N ATOM 417 CA GLU A 26 -1.755 16.404 0.716 1.00 35.03 C ATOM 418 C GLU A 26 -2.197 15.060 0.069 1.00 24.53 C ATOM 419 O GLU A 26 -3.394 14.737 0.052 1.00 4.13 O ATOM 420 CB GLU A 26 -1.917 17.584 -0.297 1.00 74.14 C ATOM 421 CG GLU A 26 -1.180 17.441 -1.651 1.00 41.34 C ATOM 422 CD GLU A 26 0.353 17.343 -1.527 1.00 4.23 C ATOM 423 OE1 GLU A 26 1.012 18.392 -1.373 1.00 14.21 O ATOM 424 OE2 GLU A 26 0.896 16.213 -1.539 1.00 4.52 O ATOM 0 H GLU A 26 0.334 16.757 0.631 1.00 52.35 H new ATOM 0 HA GLU A 26 -2.411 16.588 1.567 1.00 35.03 H new ATOM 0 HB2 GLU A 26 -2.980 17.715 -0.500 1.00 74.14 H new ATOM 0 HB3 GLU A 26 -1.569 18.497 0.185 1.00 74.14 H new ATOM 0 HG2 GLU A 26 -1.550 16.552 -2.161 1.00 41.34 H new ATOM 0 HG3 GLU A 26 -1.429 18.296 -2.280 1.00 41.34 H new ATOM 431 N ALA A 27 -1.227 14.283 -0.466 1.00 40.12 N ATOM 432 CA ALA A 27 -1.492 12.935 -1.022 1.00 34.34 C ATOM 433 C ALA A 27 -1.726 11.897 0.092 1.00 25.01 C ATOM 434 O ALA A 27 -2.357 10.873 -0.154 1.00 12.22 O ATOM 435 CB ALA A 27 -0.349 12.479 -1.942 1.00 10.50 C ATOM 0 H ALA A 27 -0.249 14.568 -0.525 1.00 40.12 H new ATOM 0 HA ALA A 27 -2.405 13.007 -1.613 1.00 34.34 H new ATOM 0 HB1 ALA A 27 -0.572 11.487 -2.335 1.00 10.50 H new ATOM 0 HB2 ALA A 27 -0.245 13.182 -2.769 1.00 10.50 H new ATOM 0 HB3 ALA A 27 0.582 12.445 -1.376 1.00 10.50 H new ATOM 441 N ARG A 28 -1.216 12.189 1.311 1.00 1.44 N ATOM 442 CA ARG A 28 -1.382 11.332 2.511 1.00 14.11 C ATOM 443 C ARG A 28 -2.861 10.995 2.778 1.00 50.21 C ATOM 444 O ARG A 28 -3.185 9.855 3.069 1.00 54.10 O ATOM 445 CB ARG A 28 -0.770 12.034 3.751 1.00 63.12 C ATOM 446 CG ARG A 28 -0.846 11.222 5.068 1.00 62.11 C ATOM 447 CD ARG A 28 -0.338 12.010 6.289 1.00 23.31 C ATOM 448 NE ARG A 28 1.069 12.434 6.127 1.00 45.55 N ATOM 449 CZ ARG A 28 1.493 13.675 6.017 1.00 70.50 C ATOM 450 NH1 ARG A 28 0.675 14.672 6.035 1.00 22.14 N ATOM 451 NH2 ARG A 28 2.747 13.908 5.896 1.00 32.10 N ATOM 0 H ARG A 28 -0.673 13.033 1.492 1.00 1.44 H new ATOM 0 HA ARG A 28 -0.858 10.395 2.321 1.00 14.11 H new ATOM 0 HB2 ARG A 28 0.275 12.261 3.542 1.00 63.12 H new ATOM 0 HB3 ARG A 28 -1.280 12.986 3.899 1.00 63.12 H new ATOM 0 HG2 ARG A 28 -1.878 10.918 5.242 1.00 62.11 H new ATOM 0 HG3 ARG A 28 -0.259 10.310 4.961 1.00 62.11 H new ATOM 0 HD2 ARG A 28 -0.966 12.888 6.441 1.00 23.31 H new ATOM 0 HD3 ARG A 28 -0.430 11.393 7.183 1.00 23.31 H new ATOM 0 HE ARG A 28 1.775 11.698 6.098 1.00 45.55 H new ATOM 0 HH11 ARG A 28 -0.327 14.508 6.136 1.00 22.14 H new ATOM 0 HH12 ARG A 28 1.030 15.624 5.948 1.00 22.14 H new ATOM 0 HH21 ARG A 28 3.411 13.134 5.885 1.00 32.10 H new ATOM 0 HH22 ARG A 28 3.081 14.868 5.810 1.00 32.10 H new ATOM 465 N GLU A 29 -3.742 12.006 2.644 1.00 20.35 N ATOM 466 CA GLU A 29 -5.204 11.841 2.828 1.00 53.01 C ATOM 467 C GLU A 29 -5.801 10.799 1.848 1.00 74.03 C ATOM 468 O GLU A 29 -6.656 10.002 2.238 1.00 11.41 O ATOM 469 CB GLU A 29 -5.917 13.205 2.673 1.00 44.05 C ATOM 470 CG GLU A 29 -5.453 14.274 3.690 1.00 71.33 C ATOM 471 CD GLU A 29 -6.177 15.620 3.526 1.00 12.35 C ATOM 472 OE1 GLU A 29 -5.769 16.417 2.659 1.00 53.53 O ATOM 473 OE2 GLU A 29 -7.165 15.883 4.255 1.00 33.41 O ATOM 0 H GLU A 29 -3.465 12.958 2.406 1.00 20.35 H new ATOM 0 HA GLU A 29 -5.369 11.463 3.837 1.00 53.01 H new ATOM 0 HB2 GLU A 29 -5.747 13.580 1.664 1.00 44.05 H new ATOM 0 HB3 GLU A 29 -6.991 13.057 2.781 1.00 44.05 H new ATOM 0 HG2 GLU A 29 -5.618 13.901 4.701 1.00 71.33 H new ATOM 0 HG3 GLU A 29 -4.380 14.430 3.579 1.00 71.33 H new ATOM 480 N ARG A 30 -5.325 10.810 0.584 1.00 22.23 N ATOM 481 CA ARG A 30 -5.691 9.783 -0.426 1.00 54.24 C ATOM 482 C ARG A 30 -5.234 8.387 0.040 1.00 43.52 C ATOM 483 O ARG A 30 -5.993 7.422 -0.044 1.00 40.31 O ATOM 484 CB ARG A 30 -5.053 10.113 -1.806 1.00 50.24 C ATOM 485 CG ARG A 30 -5.353 9.088 -2.938 1.00 63.05 C ATOM 486 CD ARG A 30 -4.628 9.433 -4.256 1.00 45.32 C ATOM 487 NE ARG A 30 -5.041 8.563 -5.379 1.00 65.53 N ATOM 488 CZ ARG A 30 -5.127 8.941 -6.647 1.00 74.52 C ATOM 489 NH1 ARG A 30 -4.964 10.175 -6.997 1.00 34.35 N ATOM 490 NH2 ARG A 30 -5.413 8.077 -7.558 1.00 70.25 N ATOM 0 H ARG A 30 -4.683 11.521 0.234 1.00 22.23 H new ATOM 0 HA ARG A 30 -6.776 9.786 -0.534 1.00 54.24 H new ATOM 0 HB2 ARG A 30 -5.404 11.095 -2.125 1.00 50.24 H new ATOM 0 HB3 ARG A 30 -3.973 10.186 -1.681 1.00 50.24 H new ATOM 0 HG2 ARG A 30 -5.052 8.093 -2.611 1.00 63.05 H new ATOM 0 HG3 ARG A 30 -6.428 9.053 -3.117 1.00 63.05 H new ATOM 0 HD2 ARG A 30 -4.828 10.473 -4.515 1.00 45.32 H new ATOM 0 HD3 ARG A 30 -3.552 9.343 -4.108 1.00 45.32 H new ATOM 0 HE ARG A 30 -5.278 7.595 -5.160 1.00 65.53 H new ATOM 0 HH11 ARG A 30 -4.764 10.883 -6.291 1.00 34.35 H new ATOM 0 HH12 ARG A 30 -5.035 10.440 -7.979 1.00 34.35 H new ATOM 0 HH21 ARG A 30 -5.573 7.102 -7.304 1.00 70.25 H new ATOM 0 HH22 ARG A 30 -5.479 8.367 -8.534 1.00 70.25 H new ATOM 504 N ILE A 31 -3.987 8.318 0.551 1.00 60.01 N ATOM 505 CA ILE A 31 -3.369 7.058 1.025 1.00 51.42 C ATOM 506 C ILE A 31 -4.101 6.490 2.260 1.00 64.32 C ATOM 507 O ILE A 31 -4.224 5.290 2.389 1.00 65.42 O ATOM 508 CB ILE A 31 -1.840 7.236 1.382 1.00 32.32 C ATOM 509 CG1 ILE A 31 -1.091 7.973 0.233 1.00 75.40 C ATOM 510 CG2 ILE A 31 -1.179 5.866 1.699 1.00 51.35 C ATOM 511 CD1 ILE A 31 0.413 8.088 0.390 1.00 55.21 C ATOM 0 H ILE A 31 -3.380 9.132 0.647 1.00 60.01 H new ATOM 0 HA ILE A 31 -3.459 6.358 0.195 1.00 51.42 H new ATOM 0 HB ILE A 31 -1.768 7.851 2.279 1.00 32.32 H new ATOM 0 HG12 ILE A 31 -1.301 7.454 -0.703 1.00 75.40 H new ATOM 0 HG13 ILE A 31 -1.505 8.977 0.141 1.00 75.40 H new ATOM 0 HG21 ILE A 31 -0.127 6.017 1.941 1.00 51.35 H new ATOM 0 HG22 ILE A 31 -1.685 5.406 2.548 1.00 51.35 H new ATOM 0 HG23 ILE A 31 -1.261 5.213 0.830 1.00 51.35 H new ATOM 0 HD11 ILE A 31 0.829 8.618 -0.467 1.00 55.21 H new ATOM 0 HD12 ILE A 31 0.643 8.637 1.303 1.00 55.21 H new ATOM 0 HD13 ILE A 31 0.850 7.091 0.447 1.00 55.21 H new ATOM 523 N GLU A 32 -4.572 7.377 3.159 1.00 62.35 N ATOM 524 CA GLU A 32 -5.273 6.974 4.403 1.00 21.10 C ATOM 525 C GLU A 32 -6.683 6.425 4.107 1.00 25.41 C ATOM 526 O GLU A 32 -7.122 5.468 4.744 1.00 20.51 O ATOM 527 CB GLU A 32 -5.350 8.175 5.380 1.00 25.12 C ATOM 528 CG GLU A 32 -3.978 8.660 5.899 1.00 21.54 C ATOM 529 CD GLU A 32 -4.075 9.917 6.774 1.00 61.25 C ATOM 530 OE1 GLU A 32 -4.300 11.015 6.220 1.00 3.31 O ATOM 531 OE2 GLU A 32 -3.938 9.813 8.015 1.00 53.54 O ATOM 0 H GLU A 32 -4.480 8.387 3.048 1.00 62.35 H new ATOM 0 HA GLU A 32 -4.701 6.171 4.868 1.00 21.10 H new ATOM 0 HB2 GLU A 32 -5.850 9.004 4.880 1.00 25.12 H new ATOM 0 HB3 GLU A 32 -5.970 7.896 6.232 1.00 25.12 H new ATOM 0 HG2 GLU A 32 -3.510 7.860 6.473 1.00 21.54 H new ATOM 0 HG3 GLU A 32 -3.327 8.865 5.049 1.00 21.54 H new ATOM 538 N LYS A 33 -7.384 7.048 3.139 1.00 33.14 N ATOM 539 CA LYS A 33 -8.701 6.566 2.657 1.00 2.21 C ATOM 540 C LYS A 33 -8.554 5.237 1.883 1.00 74.20 C ATOM 541 O LYS A 33 -9.389 4.338 2.011 1.00 22.32 O ATOM 542 CB LYS A 33 -9.373 7.636 1.756 1.00 72.23 C ATOM 543 CG LYS A 33 -9.662 8.974 2.472 1.00 34.30 C ATOM 544 CD LYS A 33 -10.326 10.022 1.552 1.00 61.24 C ATOM 545 CE LYS A 33 -10.506 11.381 2.249 1.00 75.22 C ATOM 546 NZ LYS A 33 -11.230 12.360 1.395 1.00 32.13 N ATOM 0 H LYS A 33 -7.059 7.894 2.670 1.00 33.14 H new ATOM 0 HA LYS A 33 -9.334 6.389 3.527 1.00 2.21 H new ATOM 0 HB2 LYS A 33 -8.730 7.828 0.897 1.00 72.23 H new ATOM 0 HB3 LYS A 33 -10.309 7.234 1.370 1.00 72.23 H new ATOM 0 HG2 LYS A 33 -10.310 8.788 3.328 1.00 34.30 H new ATOM 0 HG3 LYS A 33 -8.728 9.380 2.861 1.00 34.30 H new ATOM 0 HD2 LYS A 33 -9.718 10.153 0.657 1.00 61.24 H new ATOM 0 HD3 LYS A 33 -11.298 9.652 1.226 1.00 61.24 H new ATOM 0 HE2 LYS A 33 -11.054 11.240 3.181 1.00 75.22 H new ATOM 0 HE3 LYS A 33 -9.528 11.785 2.512 1.00 75.22 H new ATOM 0 HZ1 LYS A 33 -11.328 13.261 1.906 1.00 32.13 H new ATOM 0 HZ2 LYS A 33 -10.696 12.516 0.517 1.00 32.13 H new ATOM 0 HZ3 LYS A 33 -12.174 11.988 1.165 1.00 32.13 H new ATOM 560 N LEU A 34 -7.469 5.139 1.090 1.00 74.54 N ATOM 561 CA LEU A 34 -7.145 3.940 0.289 1.00 64.10 C ATOM 562 C LEU A 34 -6.747 2.766 1.216 1.00 22.32 C ATOM 563 O LEU A 34 -7.198 1.642 1.034 1.00 53.22 O ATOM 564 CB LEU A 34 -5.985 4.259 -0.723 1.00 35.24 C ATOM 565 CG LEU A 34 -6.247 3.875 -2.212 1.00 11.13 C ATOM 566 CD1 LEU A 34 -7.410 4.708 -2.809 1.00 64.24 C ATOM 567 CD2 LEU A 34 -4.957 4.017 -3.058 1.00 63.31 C ATOM 0 H LEU A 34 -6.789 5.892 0.986 1.00 74.54 H new ATOM 0 HA LEU A 34 -8.029 3.648 -0.278 1.00 64.10 H new ATOM 0 HB2 LEU A 34 -5.774 5.327 -0.677 1.00 35.24 H new ATOM 0 HB3 LEU A 34 -5.086 3.741 -0.388 1.00 35.24 H new ATOM 0 HG LEU A 34 -6.547 2.827 -2.240 1.00 11.13 H new ATOM 0 HD11 LEU A 34 -7.569 4.418 -3.848 1.00 64.24 H new ATOM 0 HD12 LEU A 34 -8.320 4.524 -2.237 1.00 64.24 H new ATOM 0 HD13 LEU A 34 -7.160 5.768 -2.762 1.00 64.24 H new ATOM 0 HD21 LEU A 34 -5.168 3.743 -4.092 1.00 63.31 H new ATOM 0 HD22 LEU A 34 -4.609 5.049 -3.020 1.00 63.31 H new ATOM 0 HD23 LEU A 34 -4.186 3.359 -2.658 1.00 63.31 H new ATOM 579 N ALA A 35 -5.902 3.081 2.220 1.00 53.30 N ATOM 580 CA ALA A 35 -5.361 2.106 3.190 1.00 71.31 C ATOM 581 C ALA A 35 -6.477 1.527 4.057 1.00 2.11 C ATOM 582 O ALA A 35 -6.603 0.318 4.169 1.00 53.30 O ATOM 583 CB ALA A 35 -4.289 2.762 4.087 1.00 55.25 C ATOM 0 H ALA A 35 -5.572 4.032 2.382 1.00 53.30 H new ATOM 0 HA ALA A 35 -4.899 1.296 2.625 1.00 71.31 H new ATOM 0 HB1 ALA A 35 -3.905 2.026 4.793 1.00 55.25 H new ATOM 0 HB2 ALA A 35 -3.472 3.131 3.467 1.00 55.25 H new ATOM 0 HB3 ALA A 35 -4.732 3.593 4.635 1.00 55.25 H new ATOM 589 N LYS A 36 -7.301 2.426 4.627 1.00 0.41 N ATOM 590 CA LYS A 36 -8.433 2.064 5.508 1.00 15.34 C ATOM 591 C LYS A 36 -9.464 1.201 4.748 1.00 1.25 C ATOM 592 O LYS A 36 -9.983 0.229 5.294 1.00 4.43 O ATOM 593 CB LYS A 36 -9.087 3.350 6.073 1.00 1.54 C ATOM 594 CG LYS A 36 -10.117 3.124 7.206 1.00 31.42 C ATOM 595 CD LYS A 36 -10.661 4.458 7.766 1.00 54.41 C ATOM 596 CE LYS A 36 -11.575 4.272 8.987 1.00 75.30 C ATOM 597 NZ LYS A 36 -12.077 5.575 9.500 1.00 20.43 N ATOM 0 H LYS A 36 -7.201 3.432 4.490 1.00 0.41 H new ATOM 0 HA LYS A 36 -8.059 1.469 6.341 1.00 15.34 H new ATOM 0 HB2 LYS A 36 -8.299 4.005 6.445 1.00 1.54 H new ATOM 0 HB3 LYS A 36 -9.580 3.877 5.256 1.00 1.54 H new ATOM 0 HG2 LYS A 36 -10.945 2.524 6.829 1.00 31.42 H new ATOM 0 HG3 LYS A 36 -9.652 2.555 8.011 1.00 31.42 H new ATOM 0 HD2 LYS A 36 -9.823 5.098 8.041 1.00 54.41 H new ATOM 0 HD3 LYS A 36 -11.213 4.976 6.982 1.00 54.41 H new ATOM 0 HE2 LYS A 36 -12.419 3.637 8.717 1.00 75.30 H new ATOM 0 HE3 LYS A 36 -11.028 3.756 9.776 1.00 75.30 H new ATOM 0 HZ1 LYS A 36 -12.690 5.411 10.324 1.00 20.43 H new ATOM 0 HZ2 LYS A 36 -11.272 6.171 9.781 1.00 20.43 H new ATOM 0 HZ3 LYS A 36 -12.620 6.056 8.755 1.00 20.43 H new ATOM 611 N ASP A 37 -9.706 1.558 3.467 1.00 42.24 N ATOM 612 CA ASP A 37 -10.557 0.769 2.547 1.00 13.11 C ATOM 613 C ASP A 37 -9.994 -0.669 2.395 1.00 33.03 C ATOM 614 O ASP A 37 -10.716 -1.646 2.588 1.00 30.43 O ATOM 615 CB ASP A 37 -10.631 1.492 1.164 1.00 64.44 C ATOM 616 CG ASP A 37 -11.742 1.013 0.196 1.00 41.42 C ATOM 617 OD1 ASP A 37 -12.311 -0.085 0.367 1.00 25.13 O ATOM 618 OD2 ASP A 37 -12.045 1.756 -0.763 1.00 63.10 O ATOM 0 H ASP A 37 -9.318 2.400 3.042 1.00 42.24 H new ATOM 0 HA ASP A 37 -11.564 0.691 2.957 1.00 13.11 H new ATOM 0 HB2 ASP A 37 -10.770 2.558 1.343 1.00 64.44 H new ATOM 0 HB3 ASP A 37 -9.669 1.375 0.665 1.00 64.44 H new ATOM 623 N VAL A 38 -8.681 -0.765 2.078 1.00 1.33 N ATOM 624 CA VAL A 38 -7.954 -2.056 1.959 1.00 23.21 C ATOM 625 C VAL A 38 -7.972 -2.858 3.298 1.00 2.33 C ATOM 626 O VAL A 38 -8.000 -4.076 3.273 1.00 53.52 O ATOM 627 CB VAL A 38 -6.465 -1.834 1.447 1.00 63.30 C ATOM 628 CG1 VAL A 38 -5.635 -3.140 1.443 1.00 51.54 C ATOM 629 CG2 VAL A 38 -6.446 -1.198 0.032 1.00 23.21 C ATOM 0 H VAL A 38 -8.094 0.049 1.897 1.00 1.33 H new ATOM 0 HA VAL A 38 -8.481 -2.653 1.215 1.00 23.21 H new ATOM 0 HB VAL A 38 -6.001 -1.148 2.156 1.00 63.30 H new ATOM 0 HG11 VAL A 38 -4.627 -2.930 1.085 1.00 51.54 H new ATOM 0 HG12 VAL A 38 -5.584 -3.542 2.455 1.00 51.54 H new ATOM 0 HG13 VAL A 38 -6.108 -3.870 0.786 1.00 51.54 H new ATOM 0 HG21 VAL A 38 -5.414 -1.059 -0.290 1.00 23.21 H new ATOM 0 HG22 VAL A 38 -6.960 -1.855 -0.669 1.00 23.21 H new ATOM 0 HG23 VAL A 38 -6.951 -0.232 0.060 1.00 23.21 H new ATOM 639 N LYS A 39 -7.990 -2.167 4.457 1.00 53.23 N ATOM 640 CA LYS A 39 -8.054 -2.824 5.798 1.00 50.20 C ATOM 641 C LYS A 39 -9.423 -3.521 6.031 1.00 65.20 C ATOM 642 O LYS A 39 -9.483 -4.634 6.577 1.00 25.52 O ATOM 643 CB LYS A 39 -7.772 -1.789 6.927 1.00 51.11 C ATOM 644 CG LYS A 39 -6.350 -1.194 6.885 1.00 3.11 C ATOM 645 CD LYS A 39 -6.073 -0.139 7.981 1.00 20.20 C ATOM 646 CE LYS A 39 -4.629 0.395 7.923 1.00 72.34 C ATOM 647 NZ LYS A 39 -3.617 -0.683 8.136 1.00 43.42 N ATOM 0 H LYS A 39 -7.961 -1.148 4.500 1.00 53.23 H new ATOM 0 HA LYS A 39 -7.283 -3.594 5.824 1.00 50.20 H new ATOM 0 HB2 LYS A 39 -8.497 -0.979 6.853 1.00 51.11 H new ATOM 0 HB3 LYS A 39 -7.927 -2.268 7.894 1.00 51.11 H new ATOM 0 HG2 LYS A 39 -5.626 -2.003 6.984 1.00 3.11 H new ATOM 0 HG3 LYS A 39 -6.187 -0.738 5.908 1.00 3.11 H new ATOM 0 HD2 LYS A 39 -6.770 0.691 7.868 1.00 20.20 H new ATOM 0 HD3 LYS A 39 -6.257 -0.579 8.961 1.00 20.20 H new ATOM 0 HE2 LYS A 39 -4.457 0.866 6.955 1.00 72.34 H new ATOM 0 HE3 LYS A 39 -4.499 1.167 8.681 1.00 72.34 H new ATOM 0 HZ1 LYS A 39 -2.668 -0.262 8.190 1.00 43.42 H new ATOM 0 HZ2 LYS A 39 -3.825 -1.184 9.024 1.00 43.42 H new ATOM 0 HZ3 LYS A 39 -3.653 -1.355 7.343 1.00 43.42 H new ATOM 661 N ASP A 40 -10.511 -2.850 5.602 1.00 21.43 N ATOM 662 CA ASP A 40 -11.885 -3.404 5.664 1.00 61.41 C ATOM 663 C ASP A 40 -12.056 -4.584 4.668 1.00 64.21 C ATOM 664 O ASP A 40 -12.743 -5.574 4.958 1.00 64.23 O ATOM 665 CB ASP A 40 -12.925 -2.296 5.365 1.00 33.32 C ATOM 666 CG ASP A 40 -12.788 -1.046 6.258 1.00 25.04 C ATOM 667 OD1 ASP A 40 -12.607 -1.188 7.483 1.00 31.22 O ATOM 668 OD2 ASP A 40 -12.864 0.088 5.732 1.00 73.00 O ATOM 0 H ASP A 40 -10.466 -1.912 5.204 1.00 21.43 H new ATOM 0 HA ASP A 40 -12.052 -3.783 6.672 1.00 61.41 H new ATOM 0 HB2 ASP A 40 -12.830 -1.996 4.321 1.00 33.32 H new ATOM 0 HB3 ASP A 40 -13.926 -2.709 5.488 1.00 33.32 H new ATOM 673 N GLU A 41 -11.417 -4.446 3.492 1.00 22.32 N ATOM 674 CA GLU A 41 -11.324 -5.507 2.471 1.00 4.22 C ATOM 675 C GLU A 41 -10.574 -6.749 3.009 1.00 42.25 C ATOM 676 O GLU A 41 -11.034 -7.881 2.854 1.00 23.41 O ATOM 677 CB GLU A 41 -10.620 -4.943 1.209 1.00 65.41 C ATOM 678 CG GLU A 41 -11.435 -3.884 0.445 1.00 75.00 C ATOM 679 CD GLU A 41 -12.647 -4.489 -0.276 1.00 21.24 C ATOM 680 OE1 GLU A 41 -12.436 -5.202 -1.277 1.00 33.45 O ATOM 681 OE2 GLU A 41 -13.798 -4.283 0.157 1.00 52.41 O ATOM 0 H GLU A 41 -10.945 -3.584 3.220 1.00 22.32 H new ATOM 0 HA GLU A 41 -12.332 -5.830 2.211 1.00 4.22 H new ATOM 0 HB2 GLU A 41 -9.666 -4.506 1.505 1.00 65.41 H new ATOM 0 HB3 GLU A 41 -10.396 -5.769 0.533 1.00 65.41 H new ATOM 0 HG2 GLU A 41 -11.775 -3.118 1.142 1.00 75.00 H new ATOM 0 HG3 GLU A 41 -10.792 -3.390 -0.283 1.00 75.00 H new ATOM 688 N LEU A 42 -9.431 -6.502 3.667 1.00 65.15 N ATOM 689 CA LEU A 42 -8.596 -7.548 4.315 1.00 53.32 C ATOM 690 C LEU A 42 -9.334 -8.228 5.499 1.00 31.11 C ATOM 691 O LEU A 42 -8.910 -9.289 5.966 1.00 11.10 O ATOM 692 CB LEU A 42 -7.224 -6.942 4.776 1.00 70.33 C ATOM 693 CG LEU A 42 -6.007 -7.081 3.785 1.00 30.35 C ATOM 694 CD1 LEU A 42 -6.349 -6.642 2.343 1.00 44.52 C ATOM 695 CD2 LEU A 42 -4.778 -6.303 4.322 1.00 43.41 C ATOM 0 H LEU A 42 -9.048 -5.562 3.770 1.00 65.15 H new ATOM 0 HA LEU A 42 -8.402 -8.324 3.575 1.00 53.32 H new ATOM 0 HB2 LEU A 42 -7.374 -5.882 4.980 1.00 70.33 H new ATOM 0 HB3 LEU A 42 -6.947 -7.412 5.720 1.00 70.33 H new ATOM 0 HG LEU A 42 -5.763 -8.142 3.734 1.00 30.35 H new ATOM 0 HD11 LEU A 42 -5.471 -6.761 1.708 1.00 44.52 H new ATOM 0 HD12 LEU A 42 -7.161 -7.259 1.958 1.00 44.52 H new ATOM 0 HD13 LEU A 42 -6.657 -5.596 2.344 1.00 44.52 H new ATOM 0 HD21 LEU A 42 -3.947 -6.410 3.625 1.00 43.41 H new ATOM 0 HD22 LEU A 42 -5.032 -5.248 4.425 1.00 43.41 H new ATOM 0 HD23 LEU A 42 -4.490 -6.703 5.294 1.00 43.41 H new ATOM 707 N GLU A 43 -10.413 -7.594 5.997 1.00 21.34 N ATOM 708 CA GLU A 43 -11.281 -8.177 7.044 1.00 33.33 C ATOM 709 C GLU A 43 -12.419 -9.047 6.443 1.00 41.51 C ATOM 710 O GLU A 43 -12.697 -10.142 6.950 1.00 74.20 O ATOM 711 CB GLU A 43 -11.869 -7.050 7.935 1.00 22.31 C ATOM 712 CG GLU A 43 -12.734 -7.552 9.116 1.00 54.23 C ATOM 713 CD GLU A 43 -13.084 -6.450 10.124 1.00 20.10 C ATOM 714 OE1 GLU A 43 -14.050 -5.695 9.890 1.00 34.12 O ATOM 715 OE2 GLU A 43 -12.385 -6.324 11.149 1.00 35.30 O ATOM 0 H GLU A 43 -10.708 -6.668 5.688 1.00 21.34 H new ATOM 0 HA GLU A 43 -10.664 -8.835 7.656 1.00 33.33 H new ATOM 0 HB2 GLU A 43 -11.048 -6.451 8.331 1.00 22.31 H new ATOM 0 HB3 GLU A 43 -12.474 -6.390 7.313 1.00 22.31 H new ATOM 0 HG2 GLU A 43 -13.656 -7.983 8.725 1.00 54.23 H new ATOM 0 HG3 GLU A 43 -12.203 -8.351 9.632 1.00 54.23 H new ATOM 756 N ALA A 47 -10.269 -7.787 -1.172 1.00 70.53 N ATOM 757 CA ALA A 47 -8.926 -7.815 -0.514 1.00 23.32 C ATOM 758 C ALA A 47 -7.707 -7.928 -1.476 1.00 31.20 C ATOM 759 O ALA A 47 -6.970 -6.959 -1.645 1.00 64.34 O ATOM 760 CB ALA A 47 -8.871 -8.909 0.577 1.00 30.34 C ATOM 0 HA ALA A 47 -8.823 -6.830 -0.059 1.00 23.32 H new ATOM 0 HB1 ALA A 47 -7.885 -8.910 1.041 1.00 30.34 H new ATOM 0 HB2 ALA A 47 -9.628 -8.706 1.334 1.00 30.34 H new ATOM 0 HB3 ALA A 47 -9.061 -9.883 0.126 1.00 30.34 H new ATOM 766 N LYS A 48 -7.486 -9.119 -2.083 1.00 65.10 N ATOM 767 CA LYS A 48 -6.245 -9.426 -2.861 1.00 45.14 C ATOM 768 C LYS A 48 -6.097 -8.501 -4.100 1.00 10.44 C ATOM 769 O LYS A 48 -5.012 -7.963 -4.357 1.00 1.25 O ATOM 770 CB LYS A 48 -6.223 -10.940 -3.255 1.00 44.53 C ATOM 771 CG LYS A 48 -4.853 -11.499 -3.756 1.00 0.04 C ATOM 772 CD LYS A 48 -4.559 -11.232 -5.258 1.00 3.30 C ATOM 773 CE LYS A 48 -3.147 -11.681 -5.673 1.00 30.44 C ATOM 774 NZ LYS A 48 -2.880 -11.458 -7.120 1.00 3.40 N ATOM 0 H LYS A 48 -8.151 -9.892 -2.052 1.00 65.10 H new ATOM 0 HA LYS A 48 -5.382 -9.226 -2.226 1.00 45.14 H new ATOM 0 HB2 LYS A 48 -6.536 -11.524 -2.390 1.00 44.53 H new ATOM 0 HB3 LYS A 48 -6.966 -11.102 -4.036 1.00 44.53 H new ATOM 0 HG2 LYS A 48 -4.055 -11.058 -3.159 1.00 0.04 H new ATOM 0 HG3 LYS A 48 -4.827 -12.574 -3.579 1.00 0.04 H new ATOM 0 HD2 LYS A 48 -5.296 -11.755 -5.867 1.00 3.30 H new ATOM 0 HD3 LYS A 48 -4.673 -10.168 -5.463 1.00 3.30 H new ATOM 0 HE2 LYS A 48 -2.409 -11.138 -5.083 1.00 30.44 H new ATOM 0 HE3 LYS A 48 -3.024 -12.739 -5.443 1.00 30.44 H new ATOM 0 HZ1 LYS A 48 -2.883 -12.371 -7.618 1.00 3.40 H new ATOM 0 HZ2 LYS A 48 -3.618 -10.843 -7.519 1.00 3.40 H new ATOM 0 HZ3 LYS A 48 -1.952 -11.004 -7.236 1.00 3.40 H new ATOM 788 N ASN A 49 -7.196 -8.330 -4.854 1.00 12.33 N ATOM 789 CA ASN A 49 -7.262 -7.390 -6.000 1.00 2.42 C ATOM 790 C ASN A 49 -7.047 -5.930 -5.524 1.00 61.34 C ATOM 791 O ASN A 49 -6.419 -5.138 -6.216 1.00 45.10 O ATOM 792 CB ASN A 49 -8.628 -7.552 -6.715 1.00 74.12 C ATOM 793 CG ASN A 49 -8.852 -6.635 -7.927 1.00 73.14 C ATOM 794 OD1 ASN A 49 -7.921 -6.255 -8.629 1.00 53.11 O ATOM 795 ND2 ASN A 49 -10.095 -6.271 -8.183 1.00 64.34 N ATOM 0 H ASN A 49 -8.066 -8.836 -4.691 1.00 12.33 H new ATOM 0 HA ASN A 49 -6.465 -7.622 -6.706 1.00 2.42 H new ATOM 0 HB2 ASN A 49 -8.727 -8.587 -7.041 1.00 74.12 H new ATOM 0 HB3 ASN A 49 -9.422 -7.369 -5.991 1.00 74.12 H new ATOM 0 HD21 ASN A 49 -10.295 -5.663 -8.977 1.00 64.34 H new ATOM 0 HD22 ASN A 49 -10.855 -6.598 -7.587 1.00 64.34 H new ATOM 802 N MET A 50 -7.564 -5.616 -4.318 1.00 63.30 N ATOM 803 CA MET A 50 -7.413 -4.291 -3.660 1.00 25.23 C ATOM 804 C MET A 50 -5.958 -3.981 -3.239 1.00 54.10 C ATOM 805 O MET A 50 -5.587 -2.812 -3.129 1.00 14.21 O ATOM 806 CB MET A 50 -8.383 -4.188 -2.455 1.00 1.43 C ATOM 807 CG MET A 50 -9.836 -3.908 -2.865 1.00 12.20 C ATOM 808 SD MET A 50 -10.074 -2.196 -3.398 1.00 22.01 S ATOM 809 CE MET A 50 -9.670 -1.308 -1.884 1.00 1.43 C ATOM 0 H MET A 50 -8.105 -6.279 -3.763 1.00 63.30 H new ATOM 0 HA MET A 50 -7.673 -3.532 -4.398 1.00 25.23 H new ATOM 0 HB2 MET A 50 -8.346 -5.118 -1.888 1.00 1.43 H new ATOM 0 HB3 MET A 50 -8.042 -3.395 -1.790 1.00 1.43 H new ATOM 0 HG2 MET A 50 -10.121 -4.582 -3.673 1.00 12.20 H new ATOM 0 HG3 MET A 50 -10.497 -4.121 -2.025 1.00 12.20 H new ATOM 0 HE1 MET A 50 -10.526 -0.709 -1.574 1.00 1.43 H new ATOM 0 HE2 MET A 50 -9.423 -2.022 -1.098 1.00 1.43 H new ATOM 0 HE3 MET A 50 -8.816 -0.655 -2.062 1.00 1.43 H new ATOM 819 N ILE A 51 -5.157 -5.024 -2.966 1.00 52.35 N ATOM 820 CA ILE A 51 -3.690 -4.880 -2.756 1.00 52.13 C ATOM 821 C ILE A 51 -3.010 -4.387 -4.065 1.00 71.24 C ATOM 822 O ILE A 51 -2.147 -3.505 -4.046 1.00 43.15 O ATOM 823 CB ILE A 51 -3.057 -6.249 -2.283 1.00 22.31 C ATOM 824 CG1 ILE A 51 -3.699 -6.709 -0.926 1.00 43.12 C ATOM 825 CG2 ILE A 51 -1.506 -6.174 -2.173 1.00 11.04 C ATOM 826 CD1 ILE A 51 -3.277 -8.092 -0.458 1.00 11.45 C ATOM 0 H ILE A 51 -5.494 -5.983 -2.883 1.00 52.35 H new ATOM 0 HA ILE A 51 -3.521 -4.140 -1.973 1.00 52.13 H new ATOM 0 HB ILE A 51 -3.281 -6.995 -3.046 1.00 22.31 H new ATOM 0 HG12 ILE A 51 -3.440 -5.985 -0.154 1.00 43.12 H new ATOM 0 HG13 ILE A 51 -4.784 -6.691 -1.029 1.00 43.12 H new ATOM 0 HG21 ILE A 51 -1.117 -7.138 -1.845 1.00 11.04 H new ATOM 0 HG22 ILE A 51 -1.084 -5.925 -3.147 1.00 11.04 H new ATOM 0 HG23 ILE A 51 -1.229 -5.406 -1.450 1.00 11.04 H new ATOM 0 HD11 ILE A 51 -3.770 -8.323 0.486 1.00 11.45 H new ATOM 0 HD12 ILE A 51 -3.561 -8.832 -1.206 1.00 11.45 H new ATOM 0 HD13 ILE A 51 -2.196 -8.115 -0.318 1.00 11.45 H new ATOM 838 N GLU A 52 -3.456 -4.959 -5.197 1.00 0.43 N ATOM 839 CA GLU A 52 -2.997 -4.585 -6.556 1.00 64.31 C ATOM 840 C GLU A 52 -3.571 -3.207 -7.009 1.00 70.43 C ATOM 841 O GLU A 52 -2.938 -2.494 -7.803 1.00 53.32 O ATOM 842 CB GLU A 52 -3.391 -5.715 -7.542 1.00 72.35 C ATOM 843 CG GLU A 52 -2.801 -7.100 -7.168 1.00 12.44 C ATOM 844 CD GLU A 52 -3.344 -8.260 -8.021 1.00 62.53 C ATOM 845 OE1 GLU A 52 -4.428 -8.791 -7.695 1.00 22.14 O ATOM 846 OE2 GLU A 52 -2.688 -8.667 -9.007 1.00 22.33 O ATOM 0 H GLU A 52 -4.154 -5.703 -5.199 1.00 0.43 H new ATOM 0 HA GLU A 52 -1.913 -4.471 -6.545 1.00 64.31 H new ATOM 0 HB2 GLU A 52 -4.478 -5.791 -7.579 1.00 72.35 H new ATOM 0 HB3 GLU A 52 -3.056 -5.445 -8.543 1.00 72.35 H new ATOM 0 HG2 GLU A 52 -1.717 -7.062 -7.272 1.00 12.44 H new ATOM 0 HG3 GLU A 52 -3.014 -7.303 -6.118 1.00 12.44 H new ATOM 853 N LYS A 53 -4.774 -2.854 -6.499 1.00 0.22 N ATOM 854 CA LYS A 53 -5.413 -1.525 -6.736 1.00 5.10 C ATOM 855 C LYS A 53 -4.633 -0.419 -6.007 1.00 14.23 C ATOM 856 O LYS A 53 -4.360 0.655 -6.565 1.00 72.23 O ATOM 857 CB LYS A 53 -6.893 -1.524 -6.240 1.00 1.23 C ATOM 858 CG LYS A 53 -7.851 -2.429 -7.039 1.00 51.14 C ATOM 859 CD LYS A 53 -8.024 -1.954 -8.493 1.00 73.23 C ATOM 860 CE LYS A 53 -8.965 -2.851 -9.305 1.00 22.32 C ATOM 861 NZ LYS A 53 -9.213 -2.305 -10.669 1.00 4.31 N ATOM 0 H LYS A 53 -5.332 -3.475 -5.913 1.00 0.22 H new ATOM 0 HA LYS A 53 -5.398 -1.333 -7.809 1.00 5.10 H new ATOM 0 HB2 LYS A 53 -6.910 -1.836 -5.196 1.00 1.23 H new ATOM 0 HB3 LYS A 53 -7.271 -0.502 -6.274 1.00 1.23 H new ATOM 0 HG2 LYS A 53 -7.471 -3.450 -7.035 1.00 51.14 H new ATOM 0 HG3 LYS A 53 -8.824 -2.449 -6.547 1.00 51.14 H new ATOM 0 HD2 LYS A 53 -8.411 -0.935 -8.494 1.00 73.23 H new ATOM 0 HD3 LYS A 53 -7.049 -1.925 -8.979 1.00 73.23 H new ATOM 0 HE2 LYS A 53 -8.535 -3.849 -9.386 1.00 22.32 H new ATOM 0 HE3 LYS A 53 -9.913 -2.954 -8.777 1.00 22.32 H new ATOM 0 HZ1 LYS A 53 -9.854 -2.940 -11.186 1.00 4.31 H new ATOM 0 HZ2 LYS A 53 -9.647 -1.363 -10.592 1.00 4.31 H new ATOM 0 HZ3 LYS A 53 -8.312 -2.230 -11.182 1.00 4.31 H new ATOM 875 N PHE A 54 -4.285 -0.718 -4.744 1.00 2.44 N ATOM 876 CA PHE A 54 -3.467 0.158 -3.903 1.00 11.22 C ATOM 877 C PHE A 54 -2.074 0.342 -4.532 1.00 13.43 C ATOM 878 O PHE A 54 -1.566 1.448 -4.567 1.00 11.15 O ATOM 879 CB PHE A 54 -3.344 -0.414 -2.462 1.00 13.11 C ATOM 880 CG PHE A 54 -2.589 0.523 -1.507 1.00 33.31 C ATOM 881 CD1 PHE A 54 -3.254 1.570 -0.873 1.00 32.30 C ATOM 882 CD2 PHE A 54 -1.212 0.389 -1.288 1.00 3.54 C ATOM 883 CE1 PHE A 54 -2.580 2.444 -0.044 1.00 60.32 C ATOM 884 CE2 PHE A 54 -0.538 1.266 -0.467 1.00 13.22 C ATOM 885 CZ PHE A 54 -1.221 2.293 0.154 1.00 52.40 C ATOM 0 H PHE A 54 -4.568 -1.581 -4.279 1.00 2.44 H new ATOM 0 HA PHE A 54 -3.955 1.130 -3.838 1.00 11.22 H new ATOM 0 HB2 PHE A 54 -4.342 -0.601 -2.065 1.00 13.11 H new ATOM 0 HB3 PHE A 54 -2.831 -1.375 -2.501 1.00 13.11 H new ATOM 0 HD1 PHE A 54 -4.314 1.700 -1.033 1.00 32.30 H new ATOM 0 HD2 PHE A 54 -0.672 -0.413 -1.769 1.00 3.54 H new ATOM 0 HE1 PHE A 54 -3.113 3.244 0.448 1.00 60.32 H new ATOM 0 HE2 PHE A 54 0.524 1.150 -0.309 1.00 13.22 H new ATOM 0 HZ PHE A 54 -0.691 2.980 0.797 1.00 52.40 H new ATOM 895 N ARG A 55 -1.497 -0.778 -5.029 1.00 62.14 N ATOM 896 CA ARG A 55 -0.177 -0.824 -5.710 1.00 21.40 C ATOM 897 C ARG A 55 -0.136 0.103 -6.952 1.00 23.23 C ATOM 898 O ARG A 55 0.882 0.757 -7.218 1.00 12.42 O ATOM 899 CB ARG A 55 0.143 -2.314 -6.090 1.00 11.13 C ATOM 900 CG ARG A 55 1.357 -2.562 -7.044 1.00 71.10 C ATOM 901 CD ARG A 55 0.956 -2.674 -8.546 1.00 51.42 C ATOM 902 NE ARG A 55 1.779 -1.816 -9.421 1.00 53.33 N ATOM 903 CZ ARG A 55 1.346 -1.201 -10.504 1.00 11.55 C ATOM 904 NH1 ARG A 55 0.103 -1.288 -10.872 1.00 44.00 N ATOM 905 NH2 ARG A 55 2.152 -0.501 -11.220 1.00 71.52 N ATOM 0 H ARG A 55 -1.943 -1.693 -4.968 1.00 62.14 H new ATOM 0 HA ARG A 55 0.589 -0.452 -5.029 1.00 21.40 H new ATOM 0 HB2 ARG A 55 0.319 -2.868 -5.168 1.00 11.13 H new ATOM 0 HB3 ARG A 55 -0.745 -2.743 -6.554 1.00 11.13 H new ATOM 0 HG2 ARG A 55 2.073 -1.748 -6.927 1.00 71.10 H new ATOM 0 HG3 ARG A 55 1.864 -3.478 -6.742 1.00 71.10 H new ATOM 0 HD2 ARG A 55 1.052 -3.711 -8.867 1.00 51.42 H new ATOM 0 HD3 ARG A 55 -0.093 -2.401 -8.659 1.00 51.42 H new ATOM 0 HE ARG A 55 2.759 -1.689 -9.168 1.00 53.33 H new ATOM 0 HH11 ARG A 55 -0.555 -1.839 -10.320 1.00 44.00 H new ATOM 0 HH12 ARG A 55 -0.215 -0.806 -11.713 1.00 44.00 H new ATOM 0 HH21 ARG A 55 3.133 -0.419 -10.951 1.00 71.52 H new ATOM 0 HH22 ARG A 55 1.811 -0.028 -12.057 1.00 71.52 H new ATOM 919 N ASP A 56 -1.251 0.137 -7.702 1.00 13.22 N ATOM 920 CA ASP A 56 -1.369 0.939 -8.936 1.00 43.24 C ATOM 921 C ASP A 56 -1.300 2.457 -8.629 1.00 13.44 C ATOM 922 O ASP A 56 -0.492 3.190 -9.220 1.00 15.21 O ATOM 923 CB ASP A 56 -2.686 0.563 -9.656 1.00 25.04 C ATOM 924 CG ASP A 56 -2.864 1.271 -11.005 1.00 42.44 C ATOM 925 OD1 ASP A 56 -2.119 0.942 -11.952 1.00 63.00 O ATOM 926 OD2 ASP A 56 -3.726 2.167 -11.115 1.00 32.34 O ATOM 0 H ASP A 56 -2.095 -0.388 -7.472 1.00 13.22 H new ATOM 0 HA ASP A 56 -0.529 0.716 -9.593 1.00 43.24 H new ATOM 0 HB2 ASP A 56 -2.711 -0.515 -9.814 1.00 25.04 H new ATOM 0 HB3 ASP A 56 -3.528 0.810 -9.010 1.00 25.04 H new ATOM 931 N GLU A 57 -2.139 2.909 -7.682 1.00 53.12 N ATOM 932 CA GLU A 57 -2.169 4.321 -7.237 1.00 70.43 C ATOM 933 C GLU A 57 -0.915 4.694 -6.409 1.00 31.33 C ATOM 934 O GLU A 57 -0.502 5.848 -6.418 1.00 42.35 O ATOM 935 CB GLU A 57 -3.465 4.595 -6.440 1.00 54.14 C ATOM 936 CG GLU A 57 -4.746 4.467 -7.292 1.00 14.20 C ATOM 937 CD GLU A 57 -6.050 4.663 -6.501 1.00 72.33 C ATOM 938 OE1 GLU A 57 -6.299 5.790 -6.026 1.00 45.21 O ATOM 939 OE2 GLU A 57 -6.843 3.703 -6.377 1.00 25.23 O ATOM 0 H GLU A 57 -2.814 2.313 -7.203 1.00 53.12 H new ATOM 0 HA GLU A 57 -2.159 4.954 -8.124 1.00 70.43 H new ATOM 0 HB2 GLU A 57 -3.523 3.899 -5.603 1.00 54.14 H new ATOM 0 HB3 GLU A 57 -3.417 5.598 -6.017 1.00 54.14 H new ATOM 0 HG2 GLU A 57 -4.709 5.201 -8.097 1.00 14.20 H new ATOM 0 HG3 GLU A 57 -4.762 3.482 -7.759 1.00 14.20 H new ATOM 946 N MET A 58 -0.330 3.701 -5.700 1.00 32.13 N ATOM 947 CA MET A 58 0.941 3.851 -4.946 1.00 1.24 C ATOM 948 C MET A 58 2.100 4.279 -5.864 1.00 3.24 C ATOM 949 O MET A 58 2.812 5.251 -5.574 1.00 22.53 O ATOM 950 CB MET A 58 1.287 2.524 -4.214 1.00 71.32 C ATOM 951 CG MET A 58 2.593 2.565 -3.433 1.00 41.34 C ATOM 952 SD MET A 58 2.601 3.886 -2.214 1.00 63.22 S ATOM 953 CE MET A 58 4.346 3.999 -1.881 1.00 30.44 C ATOM 0 H MET A 58 -0.729 2.764 -5.633 1.00 32.13 H new ATOM 0 HA MET A 58 0.801 4.640 -4.207 1.00 1.24 H new ATOM 0 HB2 MET A 58 0.475 2.277 -3.530 1.00 71.32 H new ATOM 0 HB3 MET A 58 1.341 1.720 -4.948 1.00 71.32 H new ATOM 0 HG2 MET A 58 2.748 1.609 -2.934 1.00 41.34 H new ATOM 0 HG3 MET A 58 3.425 2.703 -4.123 1.00 41.34 H new ATOM 0 HE1 MET A 58 4.501 4.463 -0.907 1.00 30.44 H new ATOM 0 HE2 MET A 58 4.782 3.000 -1.881 1.00 30.44 H new ATOM 0 HE3 MET A 58 4.825 4.604 -2.651 1.00 30.44 H new ATOM 963 N GLU A 59 2.259 3.547 -6.979 1.00 34.12 N ATOM 964 CA GLU A 59 3.261 3.855 -8.013 1.00 64.10 C ATOM 965 C GLU A 59 3.018 5.258 -8.628 1.00 60.45 C ATOM 966 O GLU A 59 3.963 6.011 -8.864 1.00 73.10 O ATOM 967 CB GLU A 59 3.223 2.771 -9.118 1.00 4.12 C ATOM 968 CG GLU A 59 4.310 2.938 -10.200 1.00 45.22 C ATOM 969 CD GLU A 59 4.171 1.957 -11.373 1.00 12.21 C ATOM 970 OE1 GLU A 59 4.694 0.829 -11.287 1.00 43.32 O ATOM 971 OE2 GLU A 59 3.532 2.312 -12.389 1.00 12.13 O ATOM 0 H GLU A 59 1.695 2.723 -7.189 1.00 34.12 H new ATOM 0 HA GLU A 59 4.246 3.860 -7.547 1.00 64.10 H new ATOM 0 HB2 GLU A 59 3.334 1.791 -8.655 1.00 4.12 H new ATOM 0 HB3 GLU A 59 2.244 2.789 -9.596 1.00 4.12 H new ATOM 0 HG2 GLU A 59 4.274 3.957 -10.584 1.00 45.22 H new ATOM 0 HG3 GLU A 59 5.290 2.805 -9.741 1.00 45.22 H new ATOM 978 N GLN A 60 1.727 5.590 -8.850 1.00 34.13 N ATOM 979 CA GLN A 60 1.294 6.884 -9.436 1.00 23.13 C ATOM 980 C GLN A 60 1.733 8.098 -8.568 1.00 71.12 C ATOM 981 O GLN A 60 2.372 9.030 -9.072 1.00 43.41 O ATOM 982 CB GLN A 60 -0.251 6.890 -9.615 1.00 10.43 C ATOM 983 CG GLN A 60 -0.835 8.192 -10.218 1.00 64.43 C ATOM 984 CD GLN A 60 -2.368 8.232 -10.262 1.00 4.32 C ATOM 985 OE1 GLN A 60 -3.049 7.661 -9.414 1.00 5.03 O ATOM 986 NE2 GLN A 60 -2.922 8.899 -11.253 1.00 2.11 N ATOM 0 H GLN A 60 0.950 4.967 -8.628 1.00 34.13 H new ATOM 0 HA GLN A 60 1.780 6.985 -10.406 1.00 23.13 H new ATOM 0 HB2 GLN A 60 -0.531 6.053 -10.255 1.00 10.43 H new ATOM 0 HB3 GLN A 60 -0.715 6.717 -8.644 1.00 10.43 H new ATOM 0 HG2 GLN A 60 -0.477 9.041 -9.636 1.00 64.43 H new ATOM 0 HG3 GLN A 60 -0.450 8.315 -11.230 1.00 64.43 H new ATOM 0 HE21 GLN A 60 -2.335 9.365 -11.945 1.00 2.11 H new ATOM 0 HE22 GLN A 60 -3.938 8.950 -11.329 1.00 2.11 H new ATOM 995 N MET A 61 1.392 8.070 -7.257 1.00 65.12 N ATOM 996 CA MET A 61 1.665 9.201 -6.325 1.00 13.03 C ATOM 997 C MET A 61 3.153 9.268 -5.910 1.00 3.41 C ATOM 998 O MET A 61 3.633 10.318 -5.471 1.00 45.22 O ATOM 999 CB MET A 61 0.703 9.173 -5.102 1.00 13.04 C ATOM 1000 CG MET A 61 0.659 7.862 -4.315 1.00 74.43 C ATOM 1001 SD MET A 61 -0.792 7.782 -3.241 1.00 62.34 S ATOM 1002 CE MET A 61 -0.772 6.068 -2.716 1.00 33.11 C ATOM 0 H MET A 61 0.926 7.277 -6.816 1.00 65.12 H new ATOM 0 HA MET A 61 1.462 10.125 -6.866 1.00 13.03 H new ATOM 0 HB2 MET A 61 0.990 9.974 -4.420 1.00 13.04 H new ATOM 0 HB3 MET A 61 -0.305 9.398 -5.452 1.00 13.04 H new ATOM 0 HG2 MET A 61 0.647 7.021 -5.008 1.00 74.43 H new ATOM 0 HG3 MET A 61 1.563 7.767 -3.714 1.00 74.43 H new ATOM 0 HE1 MET A 61 -1.536 5.912 -1.955 1.00 33.11 H new ATOM 0 HE2 MET A 61 -0.974 5.423 -3.571 1.00 33.11 H new ATOM 0 HE3 MET A 61 0.207 5.826 -2.302 1.00 33.11 H new ATOM 1012 N TYR A 62 3.870 8.130 -6.033 1.00 62.20 N ATOM 1013 CA TYR A 62 5.347 8.106 -5.944 1.00 35.24 C ATOM 1014 C TYR A 62 5.978 8.834 -7.163 1.00 75.24 C ATOM 1015 O TYR A 62 6.904 9.624 -7.005 1.00 74.24 O ATOM 1016 CB TYR A 62 5.882 6.646 -5.828 1.00 42.12 C ATOM 1017 CG TYR A 62 7.415 6.538 -5.990 1.00 1.40 C ATOM 1018 CD1 TYR A 62 8.285 7.099 -5.047 1.00 23.05 C ATOM 1019 CD2 TYR A 62 7.983 5.951 -7.127 1.00 10.12 C ATOM 1020 CE1 TYR A 62 9.652 7.065 -5.226 1.00 1.55 C ATOM 1021 CE2 TYR A 62 9.350 5.901 -7.297 1.00 4.01 C ATOM 1022 CZ TYR A 62 10.178 6.475 -6.358 1.00 50.04 C ATOM 1023 OH TYR A 62 11.543 6.459 -6.551 1.00 44.11 O ATOM 0 H TYR A 62 3.450 7.215 -6.194 1.00 62.20 H new ATOM 0 HA TYR A 62 5.640 8.637 -5.038 1.00 35.24 H new ATOM 0 HB2 TYR A 62 5.597 6.239 -4.858 1.00 42.12 H new ATOM 0 HB3 TYR A 62 5.400 6.029 -6.586 1.00 42.12 H new ATOM 0 HD1 TYR A 62 7.878 7.567 -4.163 1.00 23.05 H new ATOM 0 HD2 TYR A 62 7.339 5.530 -7.884 1.00 10.12 H new ATOM 0 HE1 TYR A 62 10.308 7.498 -4.485 1.00 1.55 H new ATOM 0 HE2 TYR A 62 9.770 5.413 -8.164 1.00 4.01 H new ATOM 0 HH TYR A 62 11.749 6.005 -7.395 1.00 44.11 H new ATOM 1033 N LYS A 63 5.473 8.553 -8.374 1.00 44.14 N ATOM 1034 CA LYS A 63 5.942 9.226 -9.612 1.00 42.34 C ATOM 1035 C LYS A 63 5.561 10.731 -9.623 1.00 62.52 C ATOM 1036 O LYS A 63 6.252 11.548 -10.243 1.00 51.34 O ATOM 1037 CB LYS A 63 5.382 8.508 -10.869 1.00 64.05 C ATOM 1038 CG LYS A 63 5.986 7.107 -11.135 1.00 55.02 C ATOM 1039 CD LYS A 63 5.338 6.407 -12.352 1.00 1.22 C ATOM 1040 CE LYS A 63 6.024 5.079 -12.712 1.00 43.23 C ATOM 1041 NZ LYS A 63 5.325 4.367 -13.819 1.00 22.32 N ATOM 0 H LYS A 63 4.738 7.864 -8.530 1.00 44.14 H new ATOM 0 HA LYS A 63 7.030 9.163 -9.632 1.00 42.34 H new ATOM 0 HB2 LYS A 63 4.302 8.409 -10.763 1.00 64.05 H new ATOM 0 HB3 LYS A 63 5.561 9.138 -11.741 1.00 64.05 H new ATOM 0 HG2 LYS A 63 7.059 7.203 -11.303 1.00 55.02 H new ATOM 0 HG3 LYS A 63 5.856 6.484 -10.250 1.00 55.02 H new ATOM 0 HD2 LYS A 63 4.285 6.221 -12.140 1.00 1.22 H new ATOM 0 HD3 LYS A 63 5.376 7.075 -13.212 1.00 1.22 H new ATOM 0 HE2 LYS A 63 7.057 5.272 -13.002 1.00 43.23 H new ATOM 0 HE3 LYS A 63 6.055 4.437 -11.831 1.00 43.23 H new ATOM 0 HZ1 LYS A 63 6.027 3.919 -14.441 1.00 22.32 H new ATOM 0 HZ2 LYS A 63 4.699 3.638 -13.422 1.00 22.32 H new ATOM 0 HZ3 LYS A 63 4.761 5.047 -14.367 1.00 22.32 H new ATOM 1055 N ASP A 64 4.463 11.080 -8.933 1.00 2.15 N ATOM 1056 CA ASP A 64 3.988 12.475 -8.818 1.00 40.13 C ATOM 1057 C ASP A 64 4.866 13.280 -7.820 1.00 12.32 C ATOM 1058 O ASP A 64 5.255 14.419 -8.096 1.00 74.10 O ATOM 1059 CB ASP A 64 2.498 12.478 -8.392 1.00 74.20 C ATOM 1060 CG ASP A 64 1.813 13.839 -8.592 1.00 4.02 C ATOM 1061 OD1 ASP A 64 1.401 14.140 -9.733 1.00 4.11 O ATOM 1062 OD2 ASP A 64 1.692 14.620 -7.625 1.00 13.44 O ATOM 0 H ASP A 64 3.878 10.406 -8.439 1.00 2.15 H new ATOM 0 HA ASP A 64 4.075 12.965 -9.788 1.00 40.13 H new ATOM 0 HB2 ASP A 64 1.962 11.721 -8.965 1.00 74.20 H new ATOM 0 HB3 ASP A 64 2.427 12.194 -7.342 1.00 74.20 H new ATOM 1067 N ALA A 65 5.181 12.664 -6.663 1.00 52.52 N ATOM 1068 CA ALA A 65 6.085 13.250 -5.640 1.00 65.31 C ATOM 1069 C ALA A 65 7.027 12.153 -5.059 1.00 71.42 C ATOM 1070 O ALA A 65 6.662 11.461 -4.093 1.00 14.31 O ATOM 1071 CB ALA A 65 5.275 13.943 -4.532 1.00 33.23 C ATOM 0 H ALA A 65 4.818 11.746 -6.407 1.00 52.52 H new ATOM 0 HA ALA A 65 6.707 14.009 -6.114 1.00 65.31 H new ATOM 0 HB1 ALA A 65 5.956 14.365 -3.793 1.00 33.23 H new ATOM 0 HB2 ALA A 65 4.672 14.740 -4.967 1.00 33.23 H new ATOM 0 HB3 ALA A 65 4.622 13.216 -4.050 1.00 33.23 H new ATOM 1077 N PRO A 66 8.245 11.952 -5.667 1.00 0.42 N ATOM 1078 CA PRO A 66 9.181 10.870 -5.263 1.00 62.52 C ATOM 1079 C PRO A 66 9.852 11.093 -3.875 1.00 31.31 C ATOM 1080 O PRO A 66 10.592 12.065 -3.666 1.00 0.52 O ATOM 1081 CB PRO A 66 10.216 10.852 -6.420 1.00 73.23 C ATOM 1082 CG PRO A 66 10.205 12.250 -6.962 1.00 14.13 C ATOM 1083 CD PRO A 66 8.780 12.736 -6.819 1.00 1.34 C ATOM 0 HA PRO A 66 8.664 9.920 -5.124 1.00 62.52 H new ATOM 0 HB2 PRO A 66 11.207 10.574 -6.061 1.00 73.23 H new ATOM 0 HB3 PRO A 66 9.940 10.128 -7.187 1.00 73.23 H new ATOM 0 HG2 PRO A 66 10.893 12.889 -6.409 1.00 14.13 H new ATOM 0 HG3 PRO A 66 10.521 12.268 -8.005 1.00 14.13 H new ATOM 0 HD2 PRO A 66 8.741 13.808 -6.625 1.00 1.34 H new ATOM 0 HD3 PRO A 66 8.204 12.556 -7.727 1.00 1.34 H new ATOM 1091 N ASN A 67 9.549 10.187 -2.920 1.00 10.40 N ATOM 1092 CA ASN A 67 10.225 10.124 -1.594 1.00 74.42 C ATOM 1093 C ASN A 67 11.160 8.885 -1.525 1.00 21.32 C ATOM 1094 O ASN A 67 10.976 7.916 -2.279 1.00 60.51 O ATOM 1095 CB ASN A 67 9.173 10.076 -0.453 1.00 5.02 C ATOM 1096 CG ASN A 67 8.257 11.299 -0.427 1.00 3.14 C ATOM 1097 OD1 ASN A 67 8.535 12.286 0.240 1.00 3.32 O ATOM 1098 ND2 ASN A 67 7.166 11.252 -1.166 1.00 33.13 N ATOM 0 H ASN A 67 8.829 9.475 -3.041 1.00 10.40 H new ATOM 0 HA ASN A 67 10.830 11.022 -1.467 1.00 74.42 H new ATOM 0 HB2 ASN A 67 8.566 9.178 -0.565 1.00 5.02 H new ATOM 0 HB3 ASN A 67 9.688 9.995 0.504 1.00 5.02 H new ATOM 0 HD21 ASN A 67 6.532 12.050 -1.190 1.00 33.13 H new ATOM 0 HD22 ASN A 67 6.956 10.417 -1.713 1.00 33.13 H new ATOM 1105 N ALA A 68 12.142 8.925 -0.604 1.00 42.41 N ATOM 1106 CA ALA A 68 13.189 7.879 -0.474 1.00 62.30 C ATOM 1107 C ALA A 68 12.613 6.494 -0.063 1.00 63.03 C ATOM 1108 O ALA A 68 12.697 5.524 -0.832 1.00 50.30 O ATOM 1109 CB ALA A 68 14.271 8.357 0.513 1.00 13.33 C ATOM 0 H ALA A 68 12.237 9.681 0.074 1.00 42.41 H new ATOM 0 HA ALA A 68 13.637 7.730 -1.456 1.00 62.30 H new ATOM 0 HB1 ALA A 68 15.040 7.590 0.609 1.00 13.33 H new ATOM 0 HB2 ALA A 68 14.721 9.278 0.142 1.00 13.33 H new ATOM 0 HB3 ALA A 68 13.819 8.542 1.487 1.00 13.33 H new ATOM 1115 N VAL A 69 12.001 6.421 1.140 1.00 31.35 N ATOM 1116 CA VAL A 69 11.391 5.166 1.663 1.00 71.44 C ATOM 1117 C VAL A 69 10.177 4.717 0.803 1.00 21.45 C ATOM 1118 O VAL A 69 9.873 3.525 0.716 1.00 41.34 O ATOM 1119 CB VAL A 69 10.958 5.317 3.176 1.00 31.43 C ATOM 1120 CG1 VAL A 69 9.779 6.309 3.352 1.00 72.02 C ATOM 1121 CG2 VAL A 69 10.636 3.938 3.822 1.00 50.14 C ATOM 0 H VAL A 69 11.913 7.216 1.773 1.00 31.35 H new ATOM 0 HA VAL A 69 12.159 4.395 1.600 1.00 71.44 H new ATOM 0 HB VAL A 69 11.813 5.739 3.704 1.00 31.43 H new ATOM 0 HG11 VAL A 69 9.517 6.379 4.408 1.00 72.02 H new ATOM 0 HG12 VAL A 69 10.073 7.292 2.985 1.00 72.02 H new ATOM 0 HG13 VAL A 69 8.917 5.953 2.787 1.00 72.02 H new ATOM 0 HG21 VAL A 69 10.342 4.083 4.862 1.00 50.14 H new ATOM 0 HG22 VAL A 69 9.820 3.463 3.277 1.00 50.14 H new ATOM 0 HG23 VAL A 69 11.520 3.301 3.780 1.00 50.14 H new ATOM 1131 N MET A 70 9.521 5.695 0.142 1.00 54.05 N ATOM 1132 CA MET A 70 8.319 5.469 -0.697 1.00 62.33 C ATOM 1133 C MET A 70 8.635 4.552 -1.916 1.00 3.12 C ATOM 1134 O MET A 70 7.780 3.788 -2.368 1.00 25.23 O ATOM 1135 CB MET A 70 7.754 6.848 -1.150 1.00 61.14 C ATOM 1136 CG MET A 70 6.313 6.833 -1.665 1.00 43.32 C ATOM 1137 SD MET A 70 5.652 8.481 -1.998 1.00 74.15 S ATOM 1138 CE MET A 70 3.904 8.116 -2.224 1.00 42.23 C ATOM 0 H MET A 70 9.811 6.672 0.174 1.00 54.05 H new ATOM 0 HA MET A 70 7.564 4.948 -0.108 1.00 62.33 H new ATOM 0 HB2 MET A 70 7.814 7.539 -0.309 1.00 61.14 H new ATOM 0 HB3 MET A 70 8.398 7.245 -1.935 1.00 61.14 H new ATOM 0 HG2 MET A 70 6.268 6.240 -2.579 1.00 43.32 H new ATOM 0 HG3 MET A 70 5.678 6.337 -0.931 1.00 43.32 H new ATOM 0 HE1 MET A 70 3.364 9.039 -2.437 1.00 42.23 H new ATOM 0 HE2 MET A 70 3.782 7.423 -3.057 1.00 42.23 H new ATOM 0 HE3 MET A 70 3.506 7.665 -1.315 1.00 42.23 H new ATOM 1148 N GLU A 71 9.884 4.642 -2.415 1.00 21.14 N ATOM 1149 CA GLU A 71 10.431 3.747 -3.472 1.00 24.40 C ATOM 1150 C GLU A 71 10.541 2.294 -2.966 1.00 52.25 C ATOM 1151 O GLU A 71 10.125 1.347 -3.647 1.00 63.44 O ATOM 1152 CB GLU A 71 11.825 4.303 -3.910 1.00 65.23 C ATOM 1153 CG GLU A 71 12.582 3.535 -5.036 1.00 71.14 C ATOM 1154 CD GLU A 71 13.418 2.337 -4.531 1.00 60.24 C ATOM 1155 OE1 GLU A 71 14.434 2.566 -3.840 1.00 5.42 O ATOM 1156 OE2 GLU A 71 13.065 1.173 -4.820 1.00 63.15 O ATOM 0 H GLU A 71 10.553 5.343 -2.097 1.00 21.14 H new ATOM 0 HA GLU A 71 9.757 3.730 -4.329 1.00 24.40 H new ATOM 0 HB2 GLU A 71 11.689 5.333 -4.238 1.00 65.23 H new ATOM 0 HB3 GLU A 71 12.468 4.331 -3.030 1.00 65.23 H new ATOM 0 HG2 GLU A 71 11.857 3.176 -5.767 1.00 71.14 H new ATOM 0 HG3 GLU A 71 13.241 4.231 -5.556 1.00 71.14 H new ATOM 1163 N GLN A 72 11.116 2.146 -1.760 1.00 62.32 N ATOM 1164 CA GLN A 72 11.302 0.837 -1.090 1.00 54.31 C ATOM 1165 C GLN A 72 9.950 0.134 -0.833 1.00 45.14 C ATOM 1166 O GLN A 72 9.862 -1.092 -0.848 1.00 74.42 O ATOM 1167 CB GLN A 72 12.066 1.037 0.245 1.00 62.24 C ATOM 1168 CG GLN A 72 13.435 1.733 0.090 1.00 52.11 C ATOM 1169 CD GLN A 72 14.132 2.018 1.423 1.00 50.00 C ATOM 1170 OE1 GLN A 72 13.487 2.245 2.444 1.00 25.12 O ATOM 1171 NE2 GLN A 72 15.451 2.022 1.431 1.00 31.15 N ATOM 0 H GLN A 72 11.469 2.933 -1.215 1.00 62.32 H new ATOM 0 HA GLN A 72 11.886 0.196 -1.751 1.00 54.31 H new ATOM 0 HB2 GLN A 72 11.446 1.625 0.921 1.00 62.24 H new ATOM 0 HB3 GLN A 72 12.216 0.065 0.715 1.00 62.24 H new ATOM 0 HG2 GLN A 72 14.084 1.108 -0.523 1.00 52.11 H new ATOM 0 HG3 GLN A 72 13.297 2.672 -0.446 1.00 52.11 H new ATOM 0 HE21 GLN A 72 15.967 1.831 0.572 1.00 31.15 H new ATOM 0 HE22 GLN A 72 15.955 2.216 2.296 1.00 31.15 H new ATOM 1180 N LEU A 73 8.905 0.947 -0.602 1.00 20.12 N ATOM 1181 CA LEU A 73 7.521 0.471 -0.399 1.00 45.32 C ATOM 1182 C LEU A 73 6.889 -0.080 -1.701 1.00 23.43 C ATOM 1183 O LEU A 73 6.048 -0.981 -1.634 1.00 62.30 O ATOM 1184 CB LEU A 73 6.670 1.610 0.215 1.00 32.14 C ATOM 1185 CG LEU A 73 7.114 2.049 1.651 1.00 10.11 C ATOM 1186 CD1 LEU A 73 6.421 3.351 2.096 1.00 65.34 C ATOM 1187 CD2 LEU A 73 6.886 0.911 2.680 1.00 2.33 C ATOM 0 H LEU A 73 8.995 1.962 -0.550 1.00 20.12 H new ATOM 0 HA LEU A 73 7.546 -0.368 0.296 1.00 45.32 H new ATOM 0 HB2 LEU A 73 6.713 2.476 -0.446 1.00 32.14 H new ATOM 0 HB3 LEU A 73 5.629 1.289 0.252 1.00 32.14 H new ATOM 0 HG LEU A 73 8.184 2.254 1.608 1.00 10.11 H new ATOM 0 HD11 LEU A 73 6.758 3.619 3.097 1.00 65.34 H new ATOM 0 HD12 LEU A 73 6.673 4.153 1.402 1.00 65.34 H new ATOM 0 HD13 LEU A 73 5.341 3.204 2.104 1.00 65.34 H new ATOM 0 HD21 LEU A 73 7.203 1.245 3.668 1.00 2.33 H new ATOM 0 HD22 LEU A 73 5.828 0.652 2.707 1.00 2.33 H new ATOM 0 HD23 LEU A 73 7.467 0.036 2.389 1.00 2.33 H new ATOM 1199 N LEU A 74 7.288 0.460 -2.881 1.00 14.23 N ATOM 1200 CA LEU A 74 6.921 -0.150 -4.195 1.00 74.34 C ATOM 1201 C LEU A 74 7.481 -1.599 -4.309 1.00 51.15 C ATOM 1202 O LEU A 74 6.780 -2.517 -4.755 1.00 24.15 O ATOM 1203 CB LEU A 74 7.402 0.718 -5.410 1.00 51.22 C ATOM 1204 CG LEU A 74 6.394 1.798 -5.939 1.00 23.10 C ATOM 1205 CD1 LEU A 74 6.121 2.894 -4.893 1.00 31.13 C ATOM 1206 CD2 LEU A 74 6.873 2.415 -7.279 1.00 43.24 C ATOM 0 H LEU A 74 7.856 1.304 -2.955 1.00 14.23 H new ATOM 0 HA LEU A 74 5.832 -0.187 -4.233 1.00 74.34 H new ATOM 0 HB2 LEU A 74 8.325 1.223 -5.125 1.00 51.22 H new ATOM 0 HB3 LEU A 74 7.647 0.047 -6.233 1.00 51.22 H new ATOM 0 HG LEU A 74 5.451 1.284 -6.125 1.00 23.10 H new ATOM 0 HD11 LEU A 74 5.418 3.620 -5.302 1.00 31.13 H new ATOM 0 HD12 LEU A 74 5.696 2.443 -3.996 1.00 31.13 H new ATOM 0 HD13 LEU A 74 7.055 3.396 -4.640 1.00 31.13 H new ATOM 0 HD21 LEU A 74 6.151 3.159 -7.616 1.00 43.24 H new ATOM 0 HD22 LEU A 74 7.843 2.891 -7.134 1.00 43.24 H new ATOM 0 HD23 LEU A 74 6.962 1.630 -8.030 1.00 43.24 H new ATOM 1218 N GLU A 75 8.753 -1.771 -3.898 1.00 74.02 N ATOM 1219 CA GLU A 75 9.423 -3.093 -3.839 1.00 42.20 C ATOM 1220 C GLU A 75 8.687 -4.065 -2.872 1.00 2.13 C ATOM 1221 O GLU A 75 8.467 -5.239 -3.202 1.00 14.12 O ATOM 1222 CB GLU A 75 10.916 -2.915 -3.412 1.00 63.22 C ATOM 1223 CG GLU A 75 11.750 -4.219 -3.363 1.00 70.21 C ATOM 1224 CD GLU A 75 11.827 -4.934 -4.724 1.00 51.11 C ATOM 1225 OE1 GLU A 75 12.714 -4.600 -5.537 1.00 22.52 O ATOM 1226 OE2 GLU A 75 10.996 -5.819 -4.999 1.00 41.23 O ATOM 0 H GLU A 75 9.348 -0.999 -3.597 1.00 74.02 H new ATOM 0 HA GLU A 75 9.387 -3.536 -4.834 1.00 42.20 H new ATOM 0 HB2 GLU A 75 11.395 -2.223 -4.105 1.00 63.22 H new ATOM 0 HB3 GLU A 75 10.942 -2.449 -2.427 1.00 63.22 H new ATOM 0 HG2 GLU A 75 12.759 -3.986 -3.023 1.00 70.21 H new ATOM 0 HG3 GLU A 75 11.314 -4.895 -2.627 1.00 70.21 H new ATOM 1233 N GLU A 76 8.298 -3.537 -1.691 1.00 73.42 N ATOM 1234 CA GLU A 76 7.574 -4.298 -0.646 1.00 2.32 C ATOM 1235 C GLU A 76 6.247 -4.893 -1.168 1.00 14.14 C ATOM 1236 O GLU A 76 6.047 -6.108 -1.104 1.00 33.50 O ATOM 1237 CB GLU A 76 7.305 -3.389 0.595 1.00 34.02 C ATOM 1238 CG GLU A 76 8.560 -3.002 1.399 1.00 60.41 C ATOM 1239 CD GLU A 76 9.229 -4.207 2.084 1.00 65.01 C ATOM 1240 OE1 GLU A 76 8.650 -4.745 3.057 1.00 21.22 O ATOM 1241 OE2 GLU A 76 10.323 -4.628 1.657 1.00 3.31 O ATOM 0 H GLU A 76 8.478 -2.567 -1.433 1.00 73.42 H new ATOM 0 HA GLU A 76 8.211 -5.133 -0.354 1.00 2.32 H new ATOM 0 HB2 GLU A 76 6.811 -2.477 0.259 1.00 34.02 H new ATOM 0 HB3 GLU A 76 6.610 -3.902 1.259 1.00 34.02 H new ATOM 0 HG2 GLU A 76 9.279 -2.524 0.733 1.00 60.41 H new ATOM 0 HG3 GLU A 76 8.288 -2.266 2.155 1.00 60.41 H new ATOM 1248 N ILE A 77 5.369 -4.028 -1.719 1.00 51.33 N ATOM 1249 CA ILE A 77 4.032 -4.441 -2.211 1.00 33.41 C ATOM 1250 C ILE A 77 4.146 -5.435 -3.392 1.00 52.24 C ATOM 1251 O ILE A 77 3.401 -6.408 -3.447 1.00 11.31 O ATOM 1252 CB ILE A 77 3.149 -3.207 -2.642 1.00 75.53 C ATOM 1253 CG1 ILE A 77 3.052 -2.163 -1.487 1.00 52.02 C ATOM 1254 CG2 ILE A 77 1.725 -3.656 -3.072 1.00 60.20 C ATOM 1255 CD1 ILE A 77 2.316 -0.882 -1.842 1.00 71.33 C ATOM 0 H ILE A 77 5.561 -3.033 -1.836 1.00 51.33 H new ATOM 0 HA ILE A 77 3.539 -4.938 -1.375 1.00 33.41 H new ATOM 0 HB ILE A 77 3.636 -2.740 -3.498 1.00 75.53 H new ATOM 0 HG12 ILE A 77 2.552 -2.628 -0.637 1.00 52.02 H new ATOM 0 HG13 ILE A 77 4.061 -1.907 -1.163 1.00 52.02 H new ATOM 0 HG21 ILE A 77 1.141 -2.783 -3.363 1.00 60.20 H new ATOM 0 HG22 ILE A 77 1.799 -4.341 -3.916 1.00 60.20 H new ATOM 0 HG23 ILE A 77 1.235 -4.159 -2.238 1.00 60.20 H new ATOM 0 HD11 ILE A 77 2.301 -0.219 -0.977 1.00 71.33 H new ATOM 0 HD12 ILE A 77 2.825 -0.387 -2.669 1.00 71.33 H new ATOM 0 HD13 ILE A 77 1.293 -1.119 -2.136 1.00 71.33 H new ATOM 1267 N GLU A 78 5.110 -5.204 -4.307 1.00 10.33 N ATOM 1268 CA GLU A 78 5.309 -6.070 -5.498 1.00 54.24 C ATOM 1269 C GLU A 78 5.754 -7.510 -5.097 1.00 14.21 C ATOM 1270 O GLU A 78 5.377 -8.499 -5.750 1.00 55.40 O ATOM 1271 CB GLU A 78 6.321 -5.411 -6.470 1.00 72.42 C ATOM 1272 CG GLU A 78 6.459 -6.131 -7.834 1.00 43.30 C ATOM 1273 CD GLU A 78 7.315 -5.357 -8.851 1.00 71.31 C ATOM 1274 OE1 GLU A 78 8.560 -5.404 -8.759 1.00 73.33 O ATOM 1275 OE2 GLU A 78 6.749 -4.695 -9.750 1.00 4.40 O ATOM 0 H GLU A 78 5.766 -4.425 -4.248 1.00 10.33 H new ATOM 0 HA GLU A 78 4.353 -6.171 -6.011 1.00 54.24 H new ATOM 0 HB2 GLU A 78 6.018 -4.379 -6.647 1.00 72.42 H new ATOM 0 HB3 GLU A 78 7.299 -5.378 -5.990 1.00 72.42 H new ATOM 0 HG2 GLU A 78 6.900 -7.115 -7.674 1.00 43.30 H new ATOM 0 HG3 GLU A 78 5.466 -6.291 -8.254 1.00 43.30 H new ATOM 1282 N LYS A 79 6.546 -7.614 -4.008 1.00 23.12 N ATOM 1283 CA LYS A 79 6.887 -8.910 -3.362 1.00 15.15 C ATOM 1284 C LYS A 79 5.633 -9.595 -2.748 1.00 10.12 C ATOM 1285 O LYS A 79 5.509 -10.828 -2.787 1.00 52.21 O ATOM 1286 CB LYS A 79 7.988 -8.695 -2.278 1.00 4.21 C ATOM 1287 CG LYS A 79 9.417 -8.482 -2.838 1.00 11.53 C ATOM 1288 CD LYS A 79 9.949 -9.740 -3.580 1.00 75.50 C ATOM 1289 CE LYS A 79 11.422 -9.636 -4.001 1.00 34.24 C ATOM 1290 NZ LYS A 79 11.643 -8.612 -5.036 1.00 55.45 N ATOM 0 H LYS A 79 6.968 -6.807 -3.549 1.00 23.12 H new ATOM 0 HA LYS A 79 7.274 -9.578 -4.132 1.00 15.15 H new ATOM 0 HB2 LYS A 79 7.718 -7.830 -1.672 1.00 4.21 H new ATOM 0 HB3 LYS A 79 7.998 -9.559 -1.614 1.00 4.21 H new ATOM 0 HG2 LYS A 79 9.415 -7.633 -3.521 1.00 11.53 H new ATOM 0 HG3 LYS A 79 10.093 -8.232 -2.020 1.00 11.53 H new ATOM 0 HD2 LYS A 79 9.826 -10.610 -2.935 1.00 75.50 H new ATOM 0 HD3 LYS A 79 9.339 -9.912 -4.467 1.00 75.50 H new ATOM 0 HE2 LYS A 79 12.030 -9.402 -3.127 1.00 34.24 H new ATOM 0 HE3 LYS A 79 11.759 -10.603 -4.374 1.00 34.24 H new ATOM 0 HZ1 LYS A 79 12.661 -8.535 -5.236 1.00 55.45 H new ATOM 0 HZ2 LYS A 79 11.139 -8.882 -5.905 1.00 55.45 H new ATOM 0 HZ3 LYS A 79 11.286 -7.695 -4.699 1.00 55.45 H new ATOM 1304 N LEU A 80 4.714 -8.785 -2.182 1.00 41.32 N ATOM 1305 CA LEU A 80 3.408 -9.278 -1.660 1.00 50.12 C ATOM 1306 C LEU A 80 2.445 -9.703 -2.794 1.00 60.24 C ATOM 1307 O LEU A 80 1.563 -10.518 -2.561 1.00 43.11 O ATOM 1308 CB LEU A 80 2.726 -8.257 -0.696 1.00 25.13 C ATOM 1309 CG LEU A 80 3.172 -8.342 0.804 1.00 64.41 C ATOM 1310 CD1 LEU A 80 4.630 -7.888 1.007 1.00 23.10 C ATOM 1311 CD2 LEU A 80 2.209 -7.556 1.714 1.00 53.14 C ATOM 0 H LEU A 80 4.847 -7.780 -2.071 1.00 41.32 H new ATOM 0 HA LEU A 80 3.638 -10.169 -1.076 1.00 50.12 H new ATOM 0 HB2 LEU A 80 2.928 -7.250 -1.060 1.00 25.13 H new ATOM 0 HB3 LEU A 80 1.647 -8.403 -0.745 1.00 25.13 H new ATOM 0 HG LEU A 80 3.127 -9.393 1.091 1.00 64.41 H new ATOM 0 HD11 LEU A 80 4.892 -7.965 2.062 1.00 23.10 H new ATOM 0 HD12 LEU A 80 5.294 -8.524 0.421 1.00 23.10 H new ATOM 0 HD13 LEU A 80 4.738 -6.853 0.681 1.00 23.10 H new ATOM 0 HD21 LEU A 80 2.543 -7.632 2.749 1.00 53.14 H new ATOM 0 HD22 LEU A 80 2.197 -6.509 1.413 1.00 53.14 H new ATOM 0 HD23 LEU A 80 1.205 -7.970 1.625 1.00 53.14 H new ATOM 1323 N LEU A 81 2.580 -9.113 -3.997 1.00 61.13 N ATOM 1324 CA LEU A 81 1.831 -9.569 -5.205 1.00 40.03 C ATOM 1325 C LEU A 81 2.159 -11.051 -5.548 1.00 12.00 C ATOM 1326 O LEU A 81 1.321 -11.770 -6.105 1.00 32.25 O ATOM 1327 CB LEU A 81 2.101 -8.621 -6.425 1.00 44.32 C ATOM 1328 CG LEU A 81 1.079 -7.443 -6.645 1.00 74.15 C ATOM 1329 CD1 LEU A 81 0.866 -6.597 -5.370 1.00 55.33 C ATOM 1330 CD2 LEU A 81 1.509 -6.546 -7.836 1.00 63.10 C ATOM 0 H LEU A 81 3.198 -8.320 -4.168 1.00 61.13 H new ATOM 0 HA LEU A 81 0.766 -9.518 -4.978 1.00 40.03 H new ATOM 0 HB2 LEU A 81 3.096 -8.191 -6.308 1.00 44.32 H new ATOM 0 HB3 LEU A 81 2.120 -9.228 -7.330 1.00 44.32 H new ATOM 0 HG LEU A 81 0.120 -7.902 -6.885 1.00 74.15 H new ATOM 0 HD11 LEU A 81 0.153 -5.799 -5.578 1.00 55.33 H new ATOM 0 HD12 LEU A 81 0.479 -7.232 -4.573 1.00 55.33 H new ATOM 0 HD13 LEU A 81 1.816 -6.162 -5.059 1.00 55.33 H new ATOM 0 HD21 LEU A 81 0.785 -5.741 -7.965 1.00 63.10 H new ATOM 0 HD22 LEU A 81 2.492 -6.121 -7.635 1.00 63.10 H new ATOM 0 HD23 LEU A 81 1.552 -7.145 -8.746 1.00 63.10 H new ATOM 1342 N LYS A 82 3.396 -11.482 -5.229 1.00 11.45 N ATOM 1343 CA LYS A 82 3.814 -12.904 -5.328 1.00 32.14 C ATOM 1344 C LYS A 82 3.194 -13.754 -4.184 1.00 23.41 C ATOM 1345 O LYS A 82 2.654 -14.839 -4.417 1.00 41.25 O ATOM 1346 CB LYS A 82 5.369 -13.023 -5.270 1.00 60.02 C ATOM 1347 CG LYS A 82 6.179 -12.163 -6.279 1.00 64.20 C ATOM 1348 CD LYS A 82 5.882 -12.465 -7.788 1.00 22.53 C ATOM 1349 CE LYS A 82 4.825 -11.528 -8.415 1.00 71.33 C ATOM 1350 NZ LYS A 82 5.249 -10.101 -8.373 1.00 75.43 N ATOM 0 H LYS A 82 4.134 -10.861 -4.896 1.00 11.45 H new ATOM 0 HA LYS A 82 3.454 -13.284 -6.284 1.00 32.14 H new ATOM 0 HB2 LYS A 82 5.692 -12.758 -4.263 1.00 60.02 H new ATOM 0 HB3 LYS A 82 5.635 -14.069 -5.426 1.00 60.02 H new ATOM 0 HG2 LYS A 82 5.971 -11.110 -6.086 1.00 64.20 H new ATOM 0 HG3 LYS A 82 7.242 -12.317 -6.095 1.00 64.20 H new ATOM 0 HD2 LYS A 82 6.809 -12.382 -8.355 1.00 22.53 H new ATOM 0 HD3 LYS A 82 5.542 -13.496 -7.882 1.00 22.53 H new ATOM 0 HE2 LYS A 82 4.647 -11.823 -9.449 1.00 71.33 H new ATOM 0 HE3 LYS A 82 3.880 -11.641 -7.884 1.00 71.33 H new ATOM 0 HZ1 LYS A 82 4.651 -9.542 -9.015 1.00 75.43 H new ATOM 0 HZ2 LYS A 82 5.150 -9.738 -7.404 1.00 75.43 H new ATOM 0 HZ3 LYS A 82 6.242 -10.025 -8.671 1.00 75.43 H new ATOM 1364 N LYS A 83 3.294 -13.225 -2.951 1.00 1.15 N ATOM 1365 CA LYS A 83 2.940 -13.945 -1.698 1.00 62.42 C ATOM 1366 C LYS A 83 1.406 -14.160 -1.522 1.00 51.14 C ATOM 1367 O LYS A 83 0.955 -15.233 -1.092 1.00 41.25 O ATOM 1368 CB LYS A 83 3.513 -13.140 -0.496 1.00 74.33 C ATOM 1369 CG LYS A 83 3.380 -13.832 0.877 1.00 51.10 C ATOM 1370 CD LYS A 83 3.918 -12.967 2.045 1.00 21.24 C ATOM 1371 CE LYS A 83 3.851 -13.693 3.401 1.00 63.21 C ATOM 1372 NZ LYS A 83 4.715 -14.902 3.438 1.00 2.44 N ATOM 0 H LYS A 83 3.626 -12.275 -2.787 1.00 1.15 H new ATOM 0 HA LYS A 83 3.377 -14.943 -1.748 1.00 62.42 H new ATOM 0 HB2 LYS A 83 4.568 -12.938 -0.683 1.00 74.33 H new ATOM 0 HB3 LYS A 83 3.007 -12.176 -0.450 1.00 74.33 H new ATOM 0 HG2 LYS A 83 2.331 -14.067 1.059 1.00 51.10 H new ATOM 0 HG3 LYS A 83 3.920 -14.779 0.855 1.00 51.10 H new ATOM 0 HD2 LYS A 83 4.951 -12.686 1.838 1.00 21.24 H new ATOM 0 HD3 LYS A 83 3.342 -12.043 2.103 1.00 21.24 H new ATOM 0 HE2 LYS A 83 4.155 -13.008 4.193 1.00 63.21 H new ATOM 0 HE3 LYS A 83 2.820 -13.980 3.606 1.00 63.21 H new ATOM 0 HZ1 LYS A 83 4.757 -15.269 4.410 1.00 2.44 H new ATOM 0 HZ2 LYS A 83 4.320 -15.630 2.809 1.00 2.44 H new ATOM 0 HZ3 LYS A 83 5.674 -14.653 3.120 1.00 2.44 H new ATOM 1386 N ALA A 84 0.627 -13.122 -1.860 1.00 52.12 N ATOM 1387 CA ALA A 84 -0.839 -13.074 -1.642 1.00 4.02 C ATOM 1388 C ALA A 84 -1.607 -13.741 -2.797 1.00 62.01 C ATOM 1389 O ALA A 84 -1.239 -13.557 -3.965 1.00 1.25 O ATOM 1390 CB ALA A 84 -1.299 -11.610 -1.487 1.00 34.13 C ATOM 0 H ALA A 84 0.995 -12.278 -2.299 1.00 52.12 H new ATOM 0 HA ALA A 84 -1.058 -13.628 -0.729 1.00 4.02 H new ATOM 0 HB1 ALA A 84 -2.377 -11.582 -1.327 1.00 34.13 H new ATOM 0 HB2 ALA A 84 -0.794 -11.158 -0.633 1.00 34.13 H new ATOM 0 HB3 ALA A 84 -1.052 -11.053 -2.391 1.00 34.13 H new