USER MOD reduce.3.24.130724 H: found=0, std=0, add=633, rem=0, adj=14 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 -115:sc= -0.889 (180deg=-3.19) USER MOD Set 1.2: A 70 MET CE :methyl 172:sc=-0.00387 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ -171:sc= -0.0128 (180deg=-0.114) USER MOD Single : A 11 LYS NZ :NH3+ -167:sc= -1.45! (180deg=-1.71!) USER MOD Single : A 14 LYS NZ :NH3+ -138:sc= 0.381 (180deg=-0.0392) USER MOD Single : A 20 THR OG1 : rot -79:sc= 0.0884 USER MOD Single : A 33 LYS NZ :NH3+ -132:sc= -0.922 (180deg=-3.18!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -169:sc= 0.386 (180deg=0.219) USER MOD Single : A 48 LYS NZ :NH3+ 162:sc= 0.219 (180deg=-0.437) USER MOD Single : A 49 ASN : amide:sc= -0.227 X(o=-0.23,f=-0.0023) USER MOD Single : A 50 MET CE :methyl -158:sc= -0.045 (180deg=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 GLN : amide:sc= -0.07 K(o=-0.07,f=-1.5!) USER MOD Single : A 61 MET CE :methyl -149:sc= -1.3 (180deg=-5.29!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 LYS NZ :NH3+ -175:sc= -0.275 (180deg=-0.28) USER MOD Single : A 67 ASN : amide:sc= 0.615 K(o=0.62,f=-9.8!) USER MOD Single : A 72 GLN : amide:sc= -1.99! K(o=-2!,f=-0.17) USER MOD Single : A 79 LYS NZ :NH3+ 173:sc= 0.819 (180deg=0.778) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 113 N LYS A 7 -0.084 -13.459 8.451 1.00 12.22 N ATOM 114 CA LYS A 7 1.287 -12.887 8.413 1.00 62.42 C ATOM 115 C LYS A 7 1.508 -12.027 7.142 1.00 34.31 C ATOM 116 O LYS A 7 2.165 -10.979 7.190 1.00 45.23 O ATOM 117 CB LYS A 7 2.340 -14.020 8.501 1.00 11.35 C ATOM 118 CG LYS A 7 3.812 -13.545 8.492 1.00 1.34 C ATOM 119 CD LYS A 7 4.160 -12.594 9.665 1.00 1.52 C ATOM 120 CE LYS A 7 5.635 -12.159 9.653 1.00 21.34 C ATOM 121 NZ LYS A 7 6.569 -13.310 9.781 1.00 11.30 N ATOM 0 HA LYS A 7 1.404 -12.230 9.275 1.00 62.42 H new ATOM 0 HB2 LYS A 7 2.163 -14.590 9.413 1.00 11.35 H new ATOM 0 HB3 LYS A 7 2.189 -14.702 7.664 1.00 11.35 H new ATOM 0 HG2 LYS A 7 4.467 -14.415 8.533 1.00 1.34 H new ATOM 0 HG3 LYS A 7 4.016 -13.037 7.550 1.00 1.34 H new ATOM 0 HD2 LYS A 7 3.524 -11.711 9.613 1.00 1.52 H new ATOM 0 HD3 LYS A 7 3.939 -13.091 10.609 1.00 1.52 H new ATOM 0 HE2 LYS A 7 5.846 -11.626 8.726 1.00 21.34 H new ATOM 0 HE3 LYS A 7 5.811 -11.460 10.470 1.00 21.34 H new ATOM 0 HZ1 LYS A 7 7.537 -12.957 9.921 1.00 11.30 H new ATOM 0 HZ2 LYS A 7 6.292 -13.893 10.596 1.00 11.30 H new ATOM 0 HZ3 LYS A 7 6.532 -13.885 8.915 1.00 11.30 H new ATOM 135 N LEU A 8 0.935 -12.487 6.021 1.00 40.21 N ATOM 136 CA LEU A 8 1.001 -11.786 4.723 1.00 35.23 C ATOM 137 C LEU A 8 0.284 -10.407 4.794 1.00 5.21 C ATOM 138 O LEU A 8 0.847 -9.380 4.396 1.00 23.11 O ATOM 139 CB LEU A 8 0.376 -12.687 3.620 1.00 63.53 C ATOM 140 CG LEU A 8 0.462 -12.159 2.151 1.00 1.53 C ATOM 141 CD1 LEU A 8 1.928 -11.920 1.723 1.00 53.14 C ATOM 142 CD2 LEU A 8 -0.251 -13.123 1.172 1.00 42.12 C ATOM 0 H LEU A 8 0.409 -13.360 5.985 1.00 40.21 H new ATOM 0 HA LEU A 8 2.045 -11.593 4.475 1.00 35.23 H new ATOM 0 HB2 LEU A 8 0.862 -13.662 3.660 1.00 63.53 H new ATOM 0 HB3 LEU A 8 -0.675 -12.845 3.864 1.00 63.53 H new ATOM 0 HG LEU A 8 -0.053 -11.199 2.115 1.00 1.53 H new ATOM 0 HD11 LEU A 8 1.952 -11.553 0.697 1.00 53.14 H new ATOM 0 HD12 LEU A 8 2.384 -11.182 2.383 1.00 53.14 H new ATOM 0 HD13 LEU A 8 2.483 -12.856 1.787 1.00 53.14 H new ATOM 0 HD21 LEU A 8 -0.176 -12.732 0.157 1.00 42.12 H new ATOM 0 HD22 LEU A 8 0.222 -14.104 1.219 1.00 42.12 H new ATOM 0 HD23 LEU A 8 -1.301 -13.213 1.450 1.00 42.12 H new ATOM 154 N LEU A 9 -0.952 -10.409 5.339 1.00 1.00 N ATOM 155 CA LEU A 9 -1.770 -9.181 5.502 1.00 71.30 C ATOM 156 C LEU A 9 -1.267 -8.301 6.677 1.00 43.54 C ATOM 157 O LEU A 9 -1.494 -7.096 6.681 1.00 72.25 O ATOM 158 CB LEU A 9 -3.289 -9.538 5.628 1.00 42.11 C ATOM 159 CG LEU A 9 -3.762 -10.361 6.885 1.00 43.42 C ATOM 160 CD1 LEU A 9 -4.014 -9.471 8.121 1.00 20.13 C ATOM 161 CD2 LEU A 9 -5.011 -11.224 6.575 1.00 21.42 C ATOM 0 H LEU A 9 -1.411 -11.255 5.677 1.00 1.00 H new ATOM 0 HA LEU A 9 -1.652 -8.577 4.602 1.00 71.30 H new ATOM 0 HB2 LEU A 9 -3.852 -8.605 5.611 1.00 42.11 H new ATOM 0 HB3 LEU A 9 -3.574 -10.099 4.738 1.00 42.11 H new ATOM 0 HG LEU A 9 -2.937 -11.030 7.129 1.00 43.42 H new ATOM 0 HD11 LEU A 9 -4.338 -10.092 8.956 1.00 20.13 H new ATOM 0 HD12 LEU A 9 -3.094 -8.952 8.390 1.00 20.13 H new ATOM 0 HD13 LEU A 9 -4.789 -8.740 7.891 1.00 20.13 H new ATOM 0 HD21 LEU A 9 -5.303 -11.775 7.469 1.00 21.42 H new ATOM 0 HD22 LEU A 9 -5.831 -10.578 6.262 1.00 21.42 H new ATOM 0 HD23 LEU A 9 -4.778 -11.927 5.775 1.00 21.42 H new ATOM 173 N GLU A 10 -0.607 -8.922 7.677 1.00 75.24 N ATOM 174 CA GLU A 10 -0.030 -8.203 8.846 1.00 1.55 C ATOM 175 C GLU A 10 1.123 -7.292 8.373 1.00 44.04 C ATOM 176 O GLU A 10 1.216 -6.117 8.751 1.00 44.45 O ATOM 177 CB GLU A 10 0.486 -9.226 9.920 1.00 75.40 C ATOM 178 CG GLU A 10 0.109 -8.912 11.378 1.00 64.52 C ATOM 179 CD GLU A 10 -1.412 -8.932 11.653 1.00 24.22 C ATOM 180 OE1 GLU A 10 -2.045 -10.010 11.527 1.00 12.31 O ATOM 181 OE2 GLU A 10 -1.978 -7.884 12.035 1.00 20.13 O ATOM 0 H GLU A 10 -0.456 -9.930 7.703 1.00 75.24 H new ATOM 0 HA GLU A 10 -0.805 -7.590 9.305 1.00 1.55 H new ATOM 0 HB2 GLU A 10 0.099 -10.214 9.669 1.00 75.40 H new ATOM 0 HB3 GLU A 10 1.572 -9.282 9.849 1.00 75.40 H new ATOM 0 HG2 GLU A 10 0.596 -9.636 12.032 1.00 64.52 H new ATOM 0 HG3 GLU A 10 0.502 -7.930 11.641 1.00 64.52 H new ATOM 188 N LYS A 11 1.993 -7.885 7.531 1.00 75.12 N ATOM 189 CA LYS A 11 3.094 -7.181 6.858 1.00 3.14 C ATOM 190 C LYS A 11 2.547 -6.129 5.862 1.00 51.24 C ATOM 191 O LYS A 11 3.120 -5.054 5.727 1.00 75.13 O ATOM 192 CB LYS A 11 3.994 -8.213 6.121 1.00 71.13 C ATOM 193 CG LYS A 11 5.282 -7.636 5.478 1.00 61.43 C ATOM 194 CD LYS A 11 6.266 -7.040 6.520 1.00 2.11 C ATOM 195 CE LYS A 11 7.656 -6.731 5.924 1.00 54.12 C ATOM 196 NZ LYS A 11 7.606 -5.722 4.838 1.00 63.02 N ATOM 0 H LYS A 11 1.947 -8.877 7.299 1.00 75.12 H new ATOM 0 HA LYS A 11 3.688 -6.656 7.606 1.00 3.14 H new ATOM 0 HB2 LYS A 11 4.279 -8.991 6.829 1.00 71.13 H new ATOM 0 HB3 LYS A 11 3.403 -8.693 5.341 1.00 71.13 H new ATOM 0 HG2 LYS A 11 5.787 -8.424 4.919 1.00 61.43 H new ATOM 0 HG3 LYS A 11 5.008 -6.862 4.761 1.00 61.43 H new ATOM 0 HD2 LYS A 11 5.841 -6.125 6.932 1.00 2.11 H new ATOM 0 HD3 LYS A 11 6.379 -7.740 7.348 1.00 2.11 H new ATOM 0 HE2 LYS A 11 8.314 -6.373 6.716 1.00 54.12 H new ATOM 0 HE3 LYS A 11 8.093 -7.652 5.538 1.00 54.12 H new ATOM 0 HZ1 LYS A 11 8.514 -5.713 4.330 1.00 63.02 H new ATOM 0 HZ2 LYS A 11 6.841 -5.962 4.176 1.00 63.02 H new ATOM 0 HZ3 LYS A 11 7.428 -4.782 5.246 1.00 63.02 H new ATOM 210 N LEU A 12 1.425 -6.458 5.183 1.00 65.43 N ATOM 211 CA LEU A 12 0.776 -5.567 4.189 1.00 33.25 C ATOM 212 C LEU A 12 0.229 -4.279 4.870 1.00 41.33 C ATOM 213 O LEU A 12 0.524 -3.173 4.425 1.00 75.24 O ATOM 214 CB LEU A 12 -0.322 -6.372 3.415 1.00 74.12 C ATOM 215 CG LEU A 12 -0.906 -5.767 2.081 1.00 20.23 C ATOM 216 CD1 LEU A 12 -2.017 -4.721 2.329 1.00 72.13 C ATOM 217 CD2 LEU A 12 0.223 -5.191 1.188 1.00 72.51 C ATOM 0 H LEU A 12 0.942 -7.348 5.307 1.00 65.43 H new ATOM 0 HA LEU A 12 1.509 -5.225 3.458 1.00 33.25 H new ATOM 0 HB2 LEU A 12 0.092 -7.353 3.180 1.00 74.12 H new ATOM 0 HB3 LEU A 12 -1.156 -6.533 4.098 1.00 74.12 H new ATOM 0 HG LEU A 12 -1.378 -6.592 1.547 1.00 20.23 H new ATOM 0 HD11 LEU A 12 -2.379 -4.341 1.374 1.00 72.13 H new ATOM 0 HD12 LEU A 12 -2.841 -5.187 2.870 1.00 72.13 H new ATOM 0 HD13 LEU A 12 -1.616 -3.897 2.919 1.00 72.13 H new ATOM 0 HD21 LEU A 12 -0.209 -4.781 0.275 1.00 72.51 H new ATOM 0 HD22 LEU A 12 0.747 -4.402 1.728 1.00 72.51 H new ATOM 0 HD23 LEU A 12 0.925 -5.984 0.932 1.00 72.51 H new ATOM 229 N GLU A 13 -0.528 -4.444 5.970 1.00 40.32 N ATOM 230 CA GLU A 13 -1.029 -3.310 6.801 1.00 22.00 C ATOM 231 C GLU A 13 0.138 -2.509 7.439 1.00 61.34 C ATOM 232 O GLU A 13 0.011 -1.309 7.679 1.00 54.33 O ATOM 233 CB GLU A 13 -1.992 -3.812 7.910 1.00 60.52 C ATOM 234 CG GLU A 13 -3.314 -4.433 7.400 1.00 53.12 C ATOM 235 CD GLU A 13 -4.249 -4.860 8.550 1.00 44.21 C ATOM 236 OE1 GLU A 13 -4.114 -5.999 9.056 1.00 20.24 O ATOM 237 OE2 GLU A 13 -5.093 -4.038 8.987 1.00 10.13 O ATOM 0 H GLU A 13 -0.814 -5.360 6.315 1.00 40.32 H new ATOM 0 HA GLU A 13 -1.577 -2.644 6.134 1.00 22.00 H new ATOM 0 HB2 GLU A 13 -1.470 -4.554 8.514 1.00 60.52 H new ATOM 0 HB3 GLU A 13 -2.231 -2.976 8.567 1.00 60.52 H new ATOM 0 HG2 GLU A 13 -3.829 -3.712 6.766 1.00 53.12 H new ATOM 0 HG3 GLU A 13 -3.088 -5.300 6.779 1.00 53.12 H new ATOM 244 N LYS A 14 1.260 -3.208 7.726 1.00 5.10 N ATOM 245 CA LYS A 14 2.514 -2.584 8.227 1.00 3.40 C ATOM 246 C LYS A 14 3.120 -1.657 7.126 1.00 34.24 C ATOM 247 O LYS A 14 3.634 -0.583 7.426 1.00 22.54 O ATOM 248 CB LYS A 14 3.527 -3.704 8.679 1.00 60.43 C ATOM 249 CG LYS A 14 4.409 -3.417 9.943 1.00 53.12 C ATOM 250 CD LYS A 14 5.622 -2.455 9.721 1.00 12.10 C ATOM 251 CE LYS A 14 5.320 -0.973 10.013 1.00 33.31 C ATOM 252 NZ LYS A 14 5.010 -0.713 11.437 1.00 11.33 N ATOM 0 H LYS A 14 1.325 -4.220 7.618 1.00 5.10 H new ATOM 0 HA LYS A 14 2.298 -1.965 9.098 1.00 3.40 H new ATOM 0 HB2 LYS A 14 2.959 -4.615 8.865 1.00 60.43 H new ATOM 0 HB3 LYS A 14 4.195 -3.910 7.843 1.00 60.43 H new ATOM 0 HG2 LYS A 14 3.771 -2.994 10.720 1.00 53.12 H new ATOM 0 HG3 LYS A 14 4.787 -4.366 10.323 1.00 53.12 H new ATOM 0 HD2 LYS A 14 6.447 -2.777 10.357 1.00 12.10 H new ATOM 0 HD3 LYS A 14 5.960 -2.548 8.689 1.00 12.10 H new ATOM 0 HE2 LYS A 14 6.178 -0.369 9.718 1.00 33.31 H new ATOM 0 HE3 LYS A 14 4.478 -0.652 9.400 1.00 33.31 H new ATOM 0 HZ1 LYS A 14 4.211 -0.051 11.503 1.00 11.33 H new ATOM 0 HZ2 LYS A 14 4.759 -1.606 11.906 1.00 11.33 H new ATOM 0 HZ3 LYS A 14 5.842 -0.299 11.903 1.00 11.33 H new ATOM 266 N ILE A 15 3.017 -2.073 5.841 1.00 42.35 N ATOM 267 CA ILE A 15 3.447 -1.227 4.700 1.00 1.25 C ATOM 268 C ILE A 15 2.536 0.013 4.595 1.00 23.23 C ATOM 269 O ILE A 15 3.029 1.125 4.568 1.00 1.11 O ATOM 270 CB ILE A 15 3.457 -1.994 3.317 1.00 14.54 C ATOM 271 CG1 ILE A 15 4.274 -3.320 3.410 1.00 50.21 C ATOM 272 CG2 ILE A 15 4.006 -1.094 2.178 1.00 54.25 C ATOM 273 CD1 ILE A 15 5.671 -3.178 3.992 1.00 33.23 C ATOM 0 H ILE A 15 2.643 -2.982 5.569 1.00 42.35 H new ATOM 0 HA ILE A 15 4.476 -0.931 4.905 1.00 1.25 H new ATOM 0 HB ILE A 15 2.424 -2.249 3.080 1.00 14.54 H new ATOM 0 HG12 ILE A 15 3.715 -4.031 4.018 1.00 50.21 H new ATOM 0 HG13 ILE A 15 4.355 -3.749 2.411 1.00 50.21 H new ATOM 0 HG21 ILE A 15 4.000 -1.650 1.240 1.00 54.25 H new ATOM 0 HG22 ILE A 15 3.378 -0.209 2.079 1.00 54.25 H new ATOM 0 HG23 ILE A 15 5.026 -0.791 2.414 1.00 54.25 H new ATOM 0 HD11 ILE A 15 6.157 -4.154 4.014 1.00 33.23 H new ATOM 0 HD12 ILE A 15 6.255 -2.496 3.374 1.00 33.23 H new ATOM 0 HD13 ILE A 15 5.604 -2.782 5.006 1.00 33.23 H new ATOM 285 N LEU A 16 1.205 -0.212 4.583 1.00 44.11 N ATOM 286 CA LEU A 16 0.169 0.867 4.536 1.00 51.00 C ATOM 287 C LEU A 16 0.330 1.881 5.706 1.00 54.10 C ATOM 288 O LEU A 16 0.045 3.069 5.550 1.00 62.15 O ATOM 289 CB LEU A 16 -1.262 0.234 4.541 1.00 52.50 C ATOM 290 CG LEU A 16 -1.828 -0.258 3.159 1.00 70.11 C ATOM 291 CD1 LEU A 16 -0.847 -1.180 2.399 1.00 25.34 C ATOM 292 CD2 LEU A 16 -3.192 -0.960 3.343 1.00 22.23 C ATOM 0 H LEU A 16 0.806 -1.151 4.606 1.00 44.11 H new ATOM 0 HA LEU A 16 0.309 1.425 3.610 1.00 51.00 H new ATOM 0 HB2 LEU A 16 -1.255 -0.614 5.226 1.00 52.50 H new ATOM 0 HB3 LEU A 16 -1.956 0.968 4.950 1.00 52.50 H new ATOM 0 HG LEU A 16 -1.963 0.634 2.547 1.00 70.11 H new ATOM 0 HD11 LEU A 16 -1.294 -1.486 1.453 1.00 25.34 H new ATOM 0 HD12 LEU A 16 0.081 -0.642 2.204 1.00 25.34 H new ATOM 0 HD13 LEU A 16 -0.635 -2.062 3.003 1.00 25.34 H new ATOM 0 HD21 LEU A 16 -3.564 -1.292 2.374 1.00 22.23 H new ATOM 0 HD22 LEU A 16 -3.072 -1.821 4.000 1.00 22.23 H new ATOM 0 HD23 LEU A 16 -3.903 -0.263 3.785 1.00 22.23 H new ATOM 304 N ASP A 17 0.792 1.376 6.862 1.00 65.42 N ATOM 305 CA ASP A 17 1.157 2.193 8.044 1.00 32.42 C ATOM 306 C ASP A 17 2.341 3.146 7.713 1.00 45.21 C ATOM 307 O ASP A 17 2.347 4.319 8.102 1.00 31.23 O ATOM 308 CB ASP A 17 1.507 1.224 9.211 1.00 11.41 C ATOM 309 CG ASP A 17 1.977 1.896 10.514 1.00 64.33 C ATOM 310 OD1 ASP A 17 1.236 2.737 11.060 1.00 0.11 O ATOM 311 OD2 ASP A 17 3.084 1.568 11.009 1.00 40.33 O ATOM 0 H ASP A 17 0.926 0.376 7.009 1.00 65.42 H new ATOM 0 HA ASP A 17 0.321 2.827 8.338 1.00 32.42 H new ATOM 0 HB2 ASP A 17 0.629 0.618 9.432 1.00 11.41 H new ATOM 0 HB3 ASP A 17 2.288 0.543 8.872 1.00 11.41 H new ATOM 316 N GLU A 18 3.328 2.617 6.976 1.00 13.45 N ATOM 317 CA GLU A 18 4.511 3.387 6.526 1.00 61.44 C ATOM 318 C GLU A 18 4.220 4.270 5.284 1.00 41.11 C ATOM 319 O GLU A 18 4.953 5.223 5.035 1.00 25.22 O ATOM 320 CB GLU A 18 5.681 2.423 6.219 1.00 31.25 C ATOM 321 CG GLU A 18 6.149 1.574 7.413 1.00 61.22 C ATOM 322 CD GLU A 18 6.616 2.409 8.619 1.00 22.34 C ATOM 323 OE1 GLU A 18 7.589 3.178 8.475 1.00 42.51 O ATOM 324 OE2 GLU A 18 6.033 2.285 9.720 1.00 5.31 O ATOM 0 H GLU A 18 3.335 1.643 6.672 1.00 13.45 H new ATOM 0 HA GLU A 18 4.780 4.059 7.341 1.00 61.44 H new ATOM 0 HB2 GLU A 18 5.380 1.755 5.412 1.00 31.25 H new ATOM 0 HB3 GLU A 18 6.526 3.005 5.852 1.00 31.25 H new ATOM 0 HG2 GLU A 18 5.333 0.923 7.727 1.00 61.22 H new ATOM 0 HG3 GLU A 18 6.966 0.928 7.091 1.00 61.22 H new ATOM 331 N VAL A 19 3.182 3.934 4.488 1.00 30.40 N ATOM 332 CA VAL A 19 2.808 4.734 3.292 1.00 12.43 C ATOM 333 C VAL A 19 2.040 6.013 3.704 1.00 52.45 C ATOM 334 O VAL A 19 2.249 7.074 3.126 1.00 3.04 O ATOM 335 CB VAL A 19 1.964 3.913 2.238 1.00 61.50 C ATOM 336 CG1 VAL A 19 1.695 4.743 0.961 1.00 33.21 C ATOM 337 CG2 VAL A 19 2.650 2.582 1.858 1.00 65.33 C ATOM 0 H VAL A 19 2.589 3.120 4.647 1.00 30.40 H new ATOM 0 HA VAL A 19 3.744 5.012 2.807 1.00 12.43 H new ATOM 0 HB VAL A 19 1.012 3.683 2.717 1.00 61.50 H new ATOM 0 HG11 VAL A 19 1.112 4.149 0.257 1.00 33.21 H new ATOM 0 HG12 VAL A 19 1.139 5.644 1.223 1.00 33.21 H new ATOM 0 HG13 VAL A 19 2.643 5.022 0.502 1.00 33.21 H new ATOM 0 HG21 VAL A 19 2.035 2.050 1.132 1.00 65.33 H new ATOM 0 HG22 VAL A 19 3.628 2.788 1.424 1.00 65.33 H new ATOM 0 HG23 VAL A 19 2.771 1.967 2.750 1.00 65.33 H new ATOM 347 N THR A 20 1.146 5.892 4.706 1.00 14.22 N ATOM 348 CA THR A 20 0.399 7.049 5.273 1.00 63.22 C ATOM 349 C THR A 20 1.342 8.006 6.040 1.00 10.14 C ATOM 350 O THR A 20 1.328 9.220 5.821 1.00 25.25 O ATOM 351 CB THR A 20 -0.747 6.587 6.240 1.00 14.24 C ATOM 352 OG1 THR A 20 -0.207 5.741 7.271 1.00 52.41 O ATOM 353 CG2 THR A 20 -1.862 5.834 5.498 1.00 20.32 C ATOM 0 H THR A 20 0.918 5.001 5.146 1.00 14.22 H new ATOM 0 HA THR A 20 -0.042 7.574 4.425 1.00 63.22 H new ATOM 0 HB THR A 20 -1.182 7.485 6.678 1.00 14.24 H new ATOM 0 HG1 THR A 20 -0.074 4.837 6.916 1.00 52.41 H new ATOM 0 HG21 THR A 20 -2.633 5.534 6.208 1.00 20.32 H new ATOM 0 HG22 THR A 20 -2.299 6.485 4.741 1.00 20.32 H new ATOM 0 HG23 THR A 20 -1.446 4.948 5.018 1.00 20.32 H new ATOM 361 N ASP A 21 2.170 7.436 6.932 1.00 20.32 N ATOM 362 CA ASP A 21 3.109 8.209 7.774 1.00 15.33 C ATOM 363 C ASP A 21 4.310 8.744 6.945 1.00 70.35 C ATOM 364 O ASP A 21 4.688 9.914 7.070 1.00 5.11 O ATOM 365 CB ASP A 21 3.590 7.324 8.948 1.00 61.23 C ATOM 366 CG ASP A 21 4.443 8.081 9.981 1.00 62.14 C ATOM 367 OD1 ASP A 21 3.874 8.881 10.761 1.00 54.33 O ATOM 368 OD2 ASP A 21 5.680 7.876 10.030 1.00 45.02 O ATOM 0 H ASP A 21 2.210 6.429 7.092 1.00 20.32 H new ATOM 0 HA ASP A 21 2.588 9.080 8.173 1.00 15.33 H new ATOM 0 HB2 ASP A 21 2.722 6.897 9.449 1.00 61.23 H new ATOM 0 HB3 ASP A 21 4.170 6.491 8.550 1.00 61.23 H new ATOM 373 N GLY A 22 4.886 7.874 6.091 1.00 1.40 N ATOM 374 CA GLY A 22 6.027 8.233 5.216 1.00 72.30 C ATOM 375 C GLY A 22 5.616 8.771 3.833 1.00 22.42 C ATOM 376 O GLY A 22 6.411 8.742 2.887 1.00 22.52 O ATOM 0 H GLY A 22 4.578 6.907 5.986 1.00 1.40 H new ATOM 0 HA2 GLY A 22 6.635 8.985 5.720 1.00 72.30 H new ATOM 0 HA3 GLY A 22 6.656 7.354 5.079 1.00 72.30 H new ATOM 380 N ALA A 23 4.365 9.244 3.721 1.00 74.30 N ATOM 381 CA ALA A 23 3.833 9.912 2.515 1.00 21.02 C ATOM 382 C ALA A 23 4.547 11.255 2.187 1.00 33.25 C ATOM 383 O ALA A 23 5.060 11.929 3.088 1.00 72.03 O ATOM 384 CB ALA A 23 2.341 10.183 2.715 1.00 65.12 C ATOM 0 H ALA A 23 3.682 9.174 4.475 1.00 74.30 H new ATOM 0 HA ALA A 23 4.012 9.241 1.675 1.00 21.02 H new ATOM 0 HB1 ALA A 23 1.939 10.676 1.830 1.00 65.12 H new ATOM 0 HB2 ALA A 23 1.818 9.240 2.874 1.00 65.12 H new ATOM 0 HB3 ALA A 23 2.201 10.826 3.584 1.00 65.12 H new ATOM 390 N PRO A 24 4.601 11.656 0.874 1.00 62.45 N ATOM 391 CA PRO A 24 5.017 13.024 0.460 1.00 64.00 C ATOM 392 C PRO A 24 3.974 14.126 0.838 1.00 10.45 C ATOM 393 O PRO A 24 3.243 14.636 -0.026 1.00 45.01 O ATOM 394 CB PRO A 24 5.219 12.896 -1.086 1.00 33.12 C ATOM 395 CG PRO A 24 5.253 11.416 -1.352 1.00 31.31 C ATOM 396 CD PRO A 24 4.352 10.798 -0.313 1.00 24.40 C ATOM 0 HA PRO A 24 5.919 13.351 0.977 1.00 64.00 H new ATOM 0 HB2 PRO A 24 4.407 13.377 -1.631 1.00 33.12 H new ATOM 0 HB3 PRO A 24 6.145 13.376 -1.404 1.00 33.12 H new ATOM 0 HG2 PRO A 24 4.903 11.190 -2.359 1.00 31.31 H new ATOM 0 HG3 PRO A 24 6.268 11.026 -1.273 1.00 31.31 H new ATOM 0 HD2 PRO A 24 3.306 10.819 -0.618 1.00 24.40 H new ATOM 0 HD3 PRO A 24 4.607 9.756 -0.122 1.00 24.40 H new ATOM 404 N ASP A 25 3.907 14.442 2.157 1.00 75.22 N ATOM 405 CA ASP A 25 3.083 15.535 2.744 1.00 62.42 C ATOM 406 C ASP A 25 1.573 15.499 2.328 1.00 51.23 C ATOM 407 O ASP A 25 0.745 14.890 3.018 1.00 21.32 O ATOM 408 CB ASP A 25 3.757 16.913 2.449 1.00 42.51 C ATOM 409 CG ASP A 25 2.963 18.135 2.959 1.00 34.13 C ATOM 410 OD1 ASP A 25 2.836 18.309 4.192 1.00 32.32 O ATOM 411 OD2 ASP A 25 2.437 18.913 2.126 1.00 11.04 O ATOM 0 H ASP A 25 4.438 13.931 2.862 1.00 75.22 H new ATOM 0 HA ASP A 25 3.056 15.376 3.822 1.00 62.42 H new ATOM 0 HB2 ASP A 25 4.748 16.924 2.904 1.00 42.51 H new ATOM 0 HB3 ASP A 25 3.899 17.011 1.373 1.00 42.51 H new ATOM 416 N GLU A 26 1.239 16.134 1.183 1.00 50.12 N ATOM 417 CA GLU A 26 -0.162 16.303 0.715 1.00 72.53 C ATOM 418 C GLU A 26 -0.779 14.975 0.203 1.00 75.32 C ATOM 419 O GLU A 26 -2.002 14.787 0.249 1.00 42.21 O ATOM 420 CB GLU A 26 -0.212 17.384 -0.396 1.00 3.13 C ATOM 421 CG GLU A 26 0.593 17.029 -1.669 1.00 72.42 C ATOM 422 CD GLU A 26 0.493 18.095 -2.770 1.00 44.31 C ATOM 423 OE1 GLU A 26 -0.561 18.169 -3.436 1.00 34.31 O ATOM 424 OE2 GLU A 26 1.465 18.856 -2.982 1.00 43.01 O ATOM 0 H GLU A 26 1.930 16.545 0.555 1.00 50.12 H new ATOM 0 HA GLU A 26 -0.760 16.621 1.569 1.00 72.53 H new ATOM 0 HB2 GLU A 26 -1.252 17.554 -0.674 1.00 3.13 H new ATOM 0 HB3 GLU A 26 0.167 18.322 0.009 1.00 3.13 H new ATOM 0 HG2 GLU A 26 1.640 16.891 -1.401 1.00 72.42 H new ATOM 0 HG3 GLU A 26 0.236 16.077 -2.062 1.00 72.42 H new ATOM 431 N ALA A 27 0.090 14.057 -0.268 1.00 22.12 N ATOM 432 CA ALA A 27 -0.326 12.742 -0.804 1.00 35.45 C ATOM 433 C ALA A 27 -0.927 11.815 0.286 1.00 12.45 C ATOM 434 O ALA A 27 -1.628 10.860 -0.040 1.00 2.33 O ATOM 435 CB ALA A 27 0.870 12.067 -1.496 1.00 32.31 C ATOM 0 H ALA A 27 1.099 14.205 -0.288 1.00 22.12 H new ATOM 0 HA ALA A 27 -1.120 12.916 -1.530 1.00 35.45 H new ATOM 0 HB1 ALA A 27 0.563 11.098 -1.891 1.00 32.31 H new ATOM 0 HB2 ALA A 27 1.221 12.697 -2.313 1.00 32.31 H new ATOM 0 HB3 ALA A 27 1.675 11.926 -0.775 1.00 32.31 H new ATOM 441 N ARG A 28 -0.657 12.131 1.574 1.00 12.32 N ATOM 442 CA ARG A 28 -1.093 11.315 2.733 1.00 22.41 C ATOM 443 C ARG A 28 -2.627 11.067 2.782 1.00 11.23 C ATOM 444 O ARG A 28 -3.053 9.922 2.883 1.00 73.10 O ATOM 445 CB ARG A 28 -0.602 11.967 4.056 1.00 45.52 C ATOM 446 CG ARG A 28 -1.138 11.288 5.332 1.00 12.25 C ATOM 447 CD ARG A 28 -0.625 11.911 6.638 1.00 60.11 C ATOM 448 NE ARG A 28 -1.426 11.448 7.782 1.00 2.11 N ATOM 449 CZ ARG A 28 -0.980 11.133 8.971 1.00 33.53 C ATOM 450 NH1 ARG A 28 0.278 11.218 9.273 1.00 43.33 N ATOM 451 NH2 ARG A 28 -1.818 10.728 9.865 1.00 15.42 N ATOM 0 H ARG A 28 -0.129 12.962 1.840 1.00 12.32 H new ATOM 0 HA ARG A 28 -0.636 10.333 2.611 1.00 22.41 H new ATOM 0 HB2 ARG A 28 0.488 11.945 4.076 1.00 45.52 H new ATOM 0 HB3 ARG A 28 -0.900 13.016 4.063 1.00 45.52 H new ATOM 0 HG2 ARG A 28 -2.227 11.333 5.324 1.00 12.25 H new ATOM 0 HG3 ARG A 28 -0.862 10.234 5.312 1.00 12.25 H new ATOM 0 HD2 ARG A 28 0.421 11.644 6.788 1.00 60.11 H new ATOM 0 HD3 ARG A 28 -0.671 12.998 6.571 1.00 60.11 H new ATOM 0 HE ARG A 28 -2.432 11.364 7.633 1.00 2.11 H new ATOM 0 HH11 ARG A 28 0.950 11.538 8.575 1.00 43.33 H new ATOM 0 HH12 ARG A 28 0.596 10.965 10.209 1.00 43.33 H new ATOM 0 HH21 ARG A 28 -2.810 10.658 9.639 1.00 15.42 H new ATOM 0 HH22 ARG A 28 -1.488 10.478 10.797 1.00 15.42 H new ATOM 465 N GLU A 29 -3.440 12.138 2.696 1.00 24.44 N ATOM 466 CA GLU A 29 -4.928 12.039 2.823 1.00 15.42 C ATOM 467 C GLU A 29 -5.564 11.194 1.678 1.00 32.55 C ATOM 468 O GLU A 29 -6.582 10.519 1.873 1.00 32.45 O ATOM 469 CB GLU A 29 -5.553 13.456 2.889 1.00 41.14 C ATOM 470 CG GLU A 29 -5.044 14.311 4.073 1.00 51.32 C ATOM 471 CD GLU A 29 -5.767 15.665 4.202 1.00 43.31 C ATOM 472 OE1 GLU A 29 -5.494 16.577 3.394 1.00 4.20 O ATOM 473 OE2 GLU A 29 -6.630 15.817 5.099 1.00 32.44 O ATOM 0 H GLU A 29 -3.102 13.087 2.539 1.00 24.44 H new ATOM 0 HA GLU A 29 -5.147 11.514 3.753 1.00 15.42 H new ATOM 0 HB2 GLU A 29 -5.340 13.980 1.957 1.00 41.14 H new ATOM 0 HB3 GLU A 29 -6.636 13.362 2.961 1.00 41.14 H new ATOM 0 HG2 GLU A 29 -5.171 13.750 4.999 1.00 51.32 H new ATOM 0 HG3 GLU A 29 -3.975 14.488 3.952 1.00 51.32 H new ATOM 480 N ARG A 30 -4.927 11.244 0.494 1.00 1.40 N ATOM 481 CA ARG A 30 -5.241 10.368 -0.667 1.00 64.14 C ATOM 482 C ARG A 30 -5.025 8.869 -0.313 1.00 52.44 C ATOM 483 O ARG A 30 -5.854 8.006 -0.636 1.00 15.43 O ATOM 484 CB ARG A 30 -4.335 10.803 -1.856 1.00 41.14 C ATOM 485 CG ARG A 30 -4.326 9.891 -3.106 1.00 64.12 C ATOM 486 CD ARG A 30 -5.670 9.824 -3.853 1.00 72.43 C ATOM 487 NE ARG A 30 -5.496 9.195 -5.177 1.00 55.22 N ATOM 488 CZ ARG A 30 -5.146 9.837 -6.280 1.00 31.32 C ATOM 489 NH1 ARG A 30 -5.017 11.127 -6.296 1.00 63.01 N ATOM 490 NH2 ARG A 30 -4.917 9.178 -7.367 1.00 1.15 N ATOM 0 H ARG A 30 -4.169 11.900 0.307 1.00 1.40 H new ATOM 0 HA ARG A 30 -6.290 10.476 -0.942 1.00 64.14 H new ATOM 0 HB2 ARG A 30 -4.642 11.801 -2.168 1.00 41.14 H new ATOM 0 HB3 ARG A 30 -3.312 10.884 -1.489 1.00 41.14 H new ATOM 0 HG2 ARG A 30 -3.559 10.246 -3.794 1.00 64.12 H new ATOM 0 HG3 ARG A 30 -4.041 8.883 -2.804 1.00 64.12 H new ATOM 0 HD2 ARG A 30 -6.391 9.255 -3.266 1.00 72.43 H new ATOM 0 HD3 ARG A 30 -6.077 10.828 -3.972 1.00 72.43 H new ATOM 0 HE ARG A 30 -5.658 8.190 -5.247 1.00 55.22 H new ATOM 0 HH11 ARG A 30 -5.186 11.667 -5.447 1.00 63.01 H new ATOM 0 HH12 ARG A 30 -4.746 11.602 -7.157 1.00 63.01 H new ATOM 0 HH21 ARG A 30 -5.006 8.162 -7.376 1.00 1.15 H new ATOM 0 HH22 ARG A 30 -4.647 9.674 -8.217 1.00 1.15 H new ATOM 504 N ILE A 31 -3.906 8.599 0.369 1.00 14.32 N ATOM 505 CA ILE A 31 -3.509 7.243 0.810 1.00 32.42 C ATOM 506 C ILE A 31 -4.428 6.710 1.944 1.00 63.52 C ATOM 507 O ILE A 31 -4.845 5.551 1.906 1.00 44.13 O ATOM 508 CB ILE A 31 -2.009 7.267 1.299 1.00 65.43 C ATOM 509 CG1 ILE A 31 -1.070 7.726 0.134 1.00 32.41 C ATOM 510 CG2 ILE A 31 -1.564 5.900 1.874 1.00 10.44 C ATOM 511 CD1 ILE A 31 0.345 8.093 0.535 1.00 45.21 C ATOM 0 H ILE A 31 -3.237 9.321 0.637 1.00 14.32 H new ATOM 0 HA ILE A 31 -3.613 6.569 -0.040 1.00 32.42 H new ATOM 0 HB ILE A 31 -1.934 7.988 2.113 1.00 65.43 H new ATOM 0 HG12 ILE A 31 -1.023 6.927 -0.606 1.00 32.41 H new ATOM 0 HG13 ILE A 31 -1.524 8.587 -0.356 1.00 32.41 H new ATOM 0 HG21 ILE A 31 -0.525 5.962 2.198 1.00 10.44 H new ATOM 0 HG22 ILE A 31 -2.195 5.640 2.724 1.00 10.44 H new ATOM 0 HG23 ILE A 31 -1.658 5.134 1.105 1.00 10.44 H new ATOM 0 HD11 ILE A 31 0.907 8.396 -0.349 1.00 45.21 H new ATOM 0 HD12 ILE A 31 0.319 8.917 1.248 1.00 45.21 H new ATOM 0 HD13 ILE A 31 0.828 7.231 0.994 1.00 45.21 H new ATOM 523 N GLU A 32 -4.746 7.583 2.927 1.00 43.10 N ATOM 524 CA GLU A 32 -5.459 7.200 4.176 1.00 51.21 C ATOM 525 C GLU A 32 -6.865 6.614 3.918 1.00 63.50 C ATOM 526 O GLU A 32 -7.297 5.711 4.643 1.00 62.32 O ATOM 527 CB GLU A 32 -5.546 8.410 5.149 1.00 74.15 C ATOM 528 CG GLU A 32 -4.183 8.859 5.723 1.00 60.35 C ATOM 529 CD GLU A 32 -4.282 10.047 6.696 1.00 1.21 C ATOM 530 OE1 GLU A 32 -4.492 11.188 6.234 1.00 42.41 O ATOM 531 OE2 GLU A 32 -4.136 9.852 7.925 1.00 1.41 O ATOM 0 H GLU A 32 -4.517 8.576 2.880 1.00 43.10 H new ATOM 0 HA GLU A 32 -4.870 6.407 4.636 1.00 51.21 H new ATOM 0 HB2 GLU A 32 -6.002 9.251 4.626 1.00 74.15 H new ATOM 0 HB3 GLU A 32 -6.208 8.151 5.975 1.00 74.15 H new ATOM 0 HG2 GLU A 32 -3.721 8.017 6.238 1.00 60.35 H new ATOM 0 HG3 GLU A 32 -3.523 9.130 4.899 1.00 60.35 H new ATOM 538 N LYS A 33 -7.579 7.141 2.902 1.00 11.10 N ATOM 539 CA LYS A 33 -8.893 6.590 2.492 1.00 44.20 C ATOM 540 C LYS A 33 -8.758 5.140 1.983 1.00 33.43 C ATOM 541 O LYS A 33 -9.390 4.234 2.519 1.00 32.22 O ATOM 542 CB LYS A 33 -9.557 7.470 1.396 1.00 61.41 C ATOM 543 CG LYS A 33 -10.080 8.833 1.879 1.00 23.12 C ATOM 544 CD LYS A 33 -10.744 9.689 0.758 1.00 74.34 C ATOM 545 CE LYS A 33 -12.049 9.089 0.170 1.00 41.25 C ATOM 546 NZ LYS A 33 -11.819 7.906 -0.712 1.00 72.13 N ATOM 0 H LYS A 33 -7.272 7.943 2.351 1.00 11.10 H new ATOM 0 HA LYS A 33 -9.530 6.593 3.376 1.00 44.20 H new ATOM 0 HB2 LYS A 33 -8.832 7.638 0.599 1.00 61.41 H new ATOM 0 HB3 LYS A 33 -10.387 6.914 0.960 1.00 61.41 H new ATOM 0 HG2 LYS A 33 -10.805 8.671 2.676 1.00 23.12 H new ATOM 0 HG3 LYS A 33 -9.253 9.396 2.311 1.00 23.12 H new ATOM 0 HD2 LYS A 33 -10.963 10.679 1.158 1.00 74.34 H new ATOM 0 HD3 LYS A 33 -10.026 9.824 -0.051 1.00 74.34 H new ATOM 0 HE2 LYS A 33 -12.707 8.798 0.989 1.00 41.25 H new ATOM 0 HE3 LYS A 33 -12.569 9.860 -0.398 1.00 41.25 H new ATOM 0 HZ1 LYS A 33 -12.354 8.023 -1.596 1.00 72.13 H new ATOM 0 HZ2 LYS A 33 -10.805 7.827 -0.929 1.00 72.13 H new ATOM 0 HZ3 LYS A 33 -12.137 7.043 -0.226 1.00 72.13 H new ATOM 560 N LEU A 34 -7.886 4.936 0.974 1.00 45.01 N ATOM 561 CA LEU A 34 -7.736 3.626 0.291 1.00 31.21 C ATOM 562 C LEU A 34 -7.161 2.549 1.245 1.00 23.34 C ATOM 563 O LEU A 34 -7.601 1.404 1.227 1.00 63.04 O ATOM 564 CB LEU A 34 -6.858 3.769 -0.986 1.00 45.10 C ATOM 565 CG LEU A 34 -6.837 2.528 -1.947 1.00 23.44 C ATOM 566 CD1 LEU A 34 -8.256 2.188 -2.466 1.00 64.41 C ATOM 567 CD2 LEU A 34 -5.861 2.751 -3.126 1.00 13.24 C ATOM 0 H LEU A 34 -7.270 5.663 0.610 1.00 45.01 H new ATOM 0 HA LEU A 34 -8.729 3.294 -0.013 1.00 31.21 H new ATOM 0 HB2 LEU A 34 -7.208 4.634 -1.549 1.00 45.10 H new ATOM 0 HB3 LEU A 34 -5.835 3.982 -0.678 1.00 45.10 H new ATOM 0 HG LEU A 34 -6.481 1.675 -1.369 1.00 23.44 H new ATOM 0 HD11 LEU A 34 -8.204 1.324 -3.128 1.00 64.41 H new ATOM 0 HD12 LEU A 34 -8.907 1.960 -1.622 1.00 64.41 H new ATOM 0 HD13 LEU A 34 -8.657 3.041 -3.013 1.00 64.41 H new ATOM 0 HD21 LEU A 34 -5.868 1.875 -3.775 1.00 13.24 H new ATOM 0 HD22 LEU A 34 -6.172 3.627 -3.696 1.00 13.24 H new ATOM 0 HD23 LEU A 34 -4.854 2.909 -2.740 1.00 13.24 H new ATOM 579 N ALA A 35 -6.195 2.955 2.092 1.00 70.15 N ATOM 580 CA ALA A 35 -5.570 2.082 3.119 1.00 42.21 C ATOM 581 C ALA A 35 -6.600 1.626 4.189 1.00 43.50 C ATOM 582 O ALA A 35 -6.568 0.476 4.649 1.00 2.53 O ATOM 583 CB ALA A 35 -4.389 2.816 3.779 1.00 51.40 C ATOM 0 H ALA A 35 -5.820 3.904 2.087 1.00 70.15 H new ATOM 0 HA ALA A 35 -5.202 1.184 2.623 1.00 42.21 H new ATOM 0 HB1 ALA A 35 -3.934 2.171 4.531 1.00 51.40 H new ATOM 0 HB2 ALA A 35 -3.647 3.068 3.021 1.00 51.40 H new ATOM 0 HB3 ALA A 35 -4.748 3.730 4.253 1.00 51.40 H new ATOM 589 N LYS A 36 -7.500 2.556 4.573 1.00 60.15 N ATOM 590 CA LYS A 36 -8.645 2.268 5.471 1.00 42.23 C ATOM 591 C LYS A 36 -9.623 1.262 4.805 1.00 11.52 C ATOM 592 O LYS A 36 -10.084 0.319 5.449 1.00 42.43 O ATOM 593 CB LYS A 36 -9.395 3.585 5.819 1.00 54.22 C ATOM 594 CG LYS A 36 -10.613 3.426 6.767 1.00 1.32 C ATOM 595 CD LYS A 36 -11.502 4.695 6.802 1.00 21.44 C ATOM 596 CE LYS A 36 -12.803 4.503 7.604 1.00 45.23 C ATOM 597 NZ LYS A 36 -13.772 5.610 7.376 1.00 1.03 N ATOM 0 H LYS A 36 -7.456 3.529 4.270 1.00 60.15 H new ATOM 0 HA LYS A 36 -8.260 1.823 6.388 1.00 42.23 H new ATOM 0 HB2 LYS A 36 -8.687 4.276 6.277 1.00 54.22 H new ATOM 0 HB3 LYS A 36 -9.735 4.045 4.892 1.00 54.22 H new ATOM 0 HG2 LYS A 36 -11.212 2.574 6.445 1.00 1.32 H new ATOM 0 HG3 LYS A 36 -10.260 3.205 7.774 1.00 1.32 H new ATOM 0 HD2 LYS A 36 -10.933 5.517 7.236 1.00 21.44 H new ATOM 0 HD3 LYS A 36 -11.752 4.984 5.781 1.00 21.44 H new ATOM 0 HE2 LYS A 36 -13.264 3.556 7.324 1.00 45.23 H new ATOM 0 HE3 LYS A 36 -12.567 4.442 8.666 1.00 45.23 H new ATOM 0 HZ1 LYS A 36 -14.632 5.439 7.935 1.00 1.03 H new ATOM 0 HZ2 LYS A 36 -13.343 6.512 7.667 1.00 1.03 H new ATOM 0 HZ3 LYS A 36 -14.018 5.653 6.367 1.00 1.03 H new ATOM 611 N ASP A 37 -9.909 1.478 3.500 1.00 20.20 N ATOM 612 CA ASP A 37 -10.813 0.607 2.709 1.00 3.10 C ATOM 613 C ASP A 37 -10.256 -0.831 2.578 1.00 32.03 C ATOM 614 O ASP A 37 -11.022 -1.790 2.620 1.00 62.10 O ATOM 615 CB ASP A 37 -11.073 1.199 1.296 1.00 51.25 C ATOM 616 CG ASP A 37 -11.801 2.554 1.309 1.00 74.22 C ATOM 617 OD1 ASP A 37 -12.789 2.708 2.062 1.00 44.14 O ATOM 618 OD2 ASP A 37 -11.410 3.463 0.555 1.00 32.34 O ATOM 0 H ASP A 37 -9.522 2.257 2.967 1.00 20.20 H new ATOM 0 HA ASP A 37 -11.757 0.561 3.252 1.00 3.10 H new ATOM 0 HB2 ASP A 37 -10.119 1.316 0.781 1.00 51.25 H new ATOM 0 HB3 ASP A 37 -11.662 0.487 0.718 1.00 51.25 H new ATOM 623 N VAL A 38 -8.913 -0.959 2.409 1.00 20.12 N ATOM 624 CA VAL A 38 -8.225 -2.279 2.339 1.00 34.12 C ATOM 625 C VAL A 38 -8.523 -3.111 3.611 1.00 42.22 C ATOM 626 O VAL A 38 -8.862 -4.292 3.513 1.00 2.23 O ATOM 627 CB VAL A 38 -6.653 -2.141 2.133 1.00 62.33 C ATOM 628 CG1 VAL A 38 -5.928 -3.515 2.191 1.00 22.33 C ATOM 629 CG2 VAL A 38 -6.308 -1.422 0.804 1.00 51.40 C ATOM 0 H VAL A 38 -8.283 -0.162 2.318 1.00 20.12 H new ATOM 0 HA VAL A 38 -8.620 -2.795 1.464 1.00 34.12 H new ATOM 0 HB VAL A 38 -6.294 -1.532 2.963 1.00 62.33 H new ATOM 0 HG11 VAL A 38 -4.858 -3.368 2.045 1.00 22.33 H new ATOM 0 HG12 VAL A 38 -6.102 -3.977 3.163 1.00 22.33 H new ATOM 0 HG13 VAL A 38 -6.315 -4.164 1.406 1.00 22.33 H new ATOM 0 HG21 VAL A 38 -5.225 -1.348 0.701 1.00 51.40 H new ATOM 0 HG22 VAL A 38 -6.714 -1.990 -0.033 1.00 51.40 H new ATOM 0 HG23 VAL A 38 -6.742 -0.422 0.808 1.00 51.40 H new ATOM 639 N LYS A 39 -8.441 -2.449 4.790 1.00 21.42 N ATOM 640 CA LYS A 39 -8.739 -3.069 6.112 1.00 54.01 C ATOM 641 C LYS A 39 -10.138 -3.733 6.151 1.00 52.41 C ATOM 642 O LYS A 39 -10.288 -4.845 6.672 1.00 10.23 O ATOM 643 CB LYS A 39 -8.636 -2.001 7.229 1.00 1.35 C ATOM 644 CG LYS A 39 -7.210 -1.471 7.496 1.00 3.33 C ATOM 645 CD LYS A 39 -7.190 -0.303 8.516 1.00 51.33 C ATOM 646 CE LYS A 39 -5.802 -0.078 9.134 1.00 61.13 C ATOM 647 NZ LYS A 39 -5.382 -1.243 9.963 1.00 62.34 N ATOM 0 H LYS A 39 -8.166 -1.469 4.856 1.00 21.42 H new ATOM 0 HA LYS A 39 -8.001 -3.854 6.275 1.00 54.01 H new ATOM 0 HB2 LYS A 39 -9.277 -1.159 6.966 1.00 1.35 H new ATOM 0 HB3 LYS A 39 -9.029 -2.425 8.153 1.00 1.35 H new ATOM 0 HG2 LYS A 39 -6.588 -2.285 7.868 1.00 3.33 H new ATOM 0 HG3 LYS A 39 -6.769 -1.136 6.557 1.00 3.33 H new ATOM 0 HD2 LYS A 39 -7.515 0.612 8.021 1.00 51.33 H new ATOM 0 HD3 LYS A 39 -7.908 -0.508 9.310 1.00 51.33 H new ATOM 0 HE2 LYS A 39 -5.072 0.089 8.342 1.00 61.13 H new ATOM 0 HE3 LYS A 39 -5.817 0.822 9.749 1.00 61.13 H new ATOM 0 HZ1 LYS A 39 -4.536 -0.991 10.513 1.00 62.34 H new ATOM 0 HZ2 LYS A 39 -6.152 -1.503 10.612 1.00 62.34 H new ATOM 0 HZ3 LYS A 39 -5.164 -2.049 9.343 1.00 62.34 H new ATOM 661 N ASP A 40 -11.156 -3.036 5.610 1.00 1.34 N ATOM 662 CA ASP A 40 -12.518 -3.597 5.473 1.00 45.04 C ATOM 663 C ASP A 40 -12.503 -4.825 4.544 1.00 54.55 C ATOM 664 O ASP A 40 -12.902 -5.917 4.940 1.00 54.31 O ATOM 665 CB ASP A 40 -13.487 -2.533 4.913 1.00 13.20 C ATOM 666 CG ASP A 40 -13.623 -1.322 5.839 1.00 34.32 C ATOM 667 OD1 ASP A 40 -14.471 -1.354 6.758 1.00 54.45 O ATOM 668 OD2 ASP A 40 -12.880 -0.341 5.661 1.00 62.33 O ATOM 0 H ASP A 40 -11.063 -2.083 5.260 1.00 1.34 H new ATOM 0 HA ASP A 40 -12.861 -3.903 6.461 1.00 45.04 H new ATOM 0 HB2 ASP A 40 -13.134 -2.202 3.936 1.00 13.20 H new ATOM 0 HB3 ASP A 40 -14.468 -2.983 4.761 1.00 13.20 H new ATOM 673 N GLU A 41 -11.953 -4.618 3.340 1.00 32.41 N ATOM 674 CA GLU A 41 -11.918 -5.615 2.251 1.00 50.22 C ATOM 675 C GLU A 41 -11.181 -6.921 2.625 1.00 53.34 C ATOM 676 O GLU A 41 -11.407 -7.953 1.981 1.00 5.15 O ATOM 677 CB GLU A 41 -11.325 -4.978 0.975 1.00 71.24 C ATOM 678 CG GLU A 41 -12.125 -3.770 0.437 1.00 15.24 C ATOM 679 CD GLU A 41 -13.548 -4.128 -0.012 1.00 74.24 C ATOM 680 OE1 GLU A 41 -14.483 -4.079 0.823 1.00 41.52 O ATOM 681 OE2 GLU A 41 -13.733 -4.476 -1.202 1.00 60.23 O ATOM 0 H GLU A 41 -11.509 -3.735 3.086 1.00 32.41 H new ATOM 0 HA GLU A 41 -12.949 -5.914 2.062 1.00 50.22 H new ATOM 0 HB2 GLU A 41 -10.304 -4.659 1.183 1.00 71.24 H new ATOM 0 HB3 GLU A 41 -11.269 -5.738 0.196 1.00 71.24 H new ATOM 0 HG2 GLU A 41 -12.179 -3.006 1.212 1.00 15.24 H new ATOM 0 HG3 GLU A 41 -11.586 -3.333 -0.404 1.00 15.24 H new ATOM 688 N LEU A 42 -10.284 -6.861 3.646 1.00 72.34 N ATOM 689 CA LEU A 42 -9.604 -8.064 4.208 1.00 12.12 C ATOM 690 C LEU A 42 -10.602 -9.210 4.556 1.00 31.14 C ATOM 691 O LEU A 42 -10.226 -10.385 4.525 1.00 53.33 O ATOM 692 CB LEU A 42 -8.720 -7.709 5.468 1.00 52.14 C ATOM 693 CG LEU A 42 -7.169 -7.605 5.241 1.00 40.13 C ATOM 694 CD1 LEU A 42 -6.643 -8.786 4.402 1.00 64.50 C ATOM 695 CD2 LEU A 42 -6.749 -6.258 4.629 1.00 52.21 C ATOM 0 H LEU A 42 -10.013 -5.988 4.099 1.00 72.34 H new ATOM 0 HA LEU A 42 -8.946 -8.427 3.418 1.00 12.12 H new ATOM 0 HB2 LEU A 42 -9.069 -6.758 5.870 1.00 52.14 H new ATOM 0 HB3 LEU A 42 -8.901 -8.464 6.233 1.00 52.14 H new ATOM 0 HG LEU A 42 -6.708 -7.659 6.227 1.00 40.13 H new ATOM 0 HD11 LEU A 42 -5.567 -8.683 4.264 1.00 64.50 H new ATOM 0 HD12 LEU A 42 -6.855 -9.722 4.919 1.00 64.50 H new ATOM 0 HD13 LEU A 42 -7.135 -8.789 3.429 1.00 64.50 H new ATOM 0 HD21 LEU A 42 -5.668 -6.241 4.494 1.00 52.21 H new ATOM 0 HD22 LEU A 42 -7.237 -6.129 3.663 1.00 52.21 H new ATOM 0 HD23 LEU A 42 -7.044 -5.448 5.296 1.00 52.21 H new ATOM 707 N GLU A 43 -11.861 -8.857 4.899 1.00 64.24 N ATOM 708 CA GLU A 43 -12.942 -9.847 5.170 1.00 4.02 C ATOM 709 C GLU A 43 -14.256 -9.487 4.413 1.00 4.13 C ATOM 710 O GLU A 43 -14.959 -10.380 3.921 1.00 10.11 O ATOM 711 CB GLU A 43 -13.199 -9.966 6.702 1.00 33.33 C ATOM 712 CG GLU A 43 -11.970 -10.430 7.520 1.00 5.40 C ATOM 713 CD GLU A 43 -12.268 -10.661 9.011 1.00 73.12 C ATOM 714 OE1 GLU A 43 -12.178 -9.700 9.803 1.00 61.14 O ATOM 715 OE2 GLU A 43 -12.604 -11.805 9.395 1.00 62.15 O ATOM 0 H GLU A 43 -12.161 -7.887 4.997 1.00 64.24 H new ATOM 0 HA GLU A 43 -12.608 -10.815 4.797 1.00 4.02 H new ATOM 0 HB2 GLU A 43 -13.528 -8.998 7.080 1.00 33.33 H new ATOM 0 HB3 GLU A 43 -14.017 -10.667 6.868 1.00 33.33 H new ATOM 0 HG2 GLU A 43 -11.586 -11.354 7.088 1.00 5.40 H new ATOM 0 HG3 GLU A 43 -11.181 -9.683 7.428 1.00 5.40 H new ATOM 756 N ALA A 47 -9.920 -8.285 -0.859 1.00 51.15 N ATOM 757 CA ALA A 47 -8.615 -7.868 -0.283 1.00 14.33 C ATOM 758 C ALA A 47 -7.444 -7.981 -1.284 1.00 25.32 C ATOM 759 O ALA A 47 -6.662 -7.043 -1.425 1.00 4.22 O ATOM 760 CB ALA A 47 -8.307 -8.714 0.953 1.00 43.33 C ATOM 0 HA ALA A 47 -8.710 -6.815 -0.019 1.00 14.33 H new ATOM 0 HB1 ALA A 47 -7.350 -8.407 1.375 1.00 43.33 H new ATOM 0 HB2 ALA A 47 -9.092 -8.573 1.696 1.00 43.33 H new ATOM 0 HB3 ALA A 47 -8.259 -9.766 0.671 1.00 43.33 H new ATOM 766 N LYS A 48 -7.341 -9.147 -1.955 1.00 13.42 N ATOM 767 CA LYS A 48 -6.281 -9.429 -2.958 1.00 40.44 C ATOM 768 C LYS A 48 -6.275 -8.363 -4.080 1.00 12.41 C ATOM 769 O LYS A 48 -5.208 -7.890 -4.499 1.00 55.35 O ATOM 770 CB LYS A 48 -6.462 -10.878 -3.528 1.00 1.43 C ATOM 771 CG LYS A 48 -5.492 -11.300 -4.681 1.00 55.02 C ATOM 772 CD LYS A 48 -6.030 -10.969 -6.099 1.00 64.14 C ATOM 773 CE LYS A 48 -4.966 -11.119 -7.198 1.00 0.31 C ATOM 774 NZ LYS A 48 -5.494 -10.710 -8.529 1.00 51.43 N ATOM 0 H LYS A 48 -7.989 -9.923 -1.820 1.00 13.42 H new ATOM 0 HA LYS A 48 -5.308 -9.375 -2.470 1.00 40.44 H new ATOM 0 HB2 LYS A 48 -6.344 -11.585 -2.707 1.00 1.43 H new ATOM 0 HB3 LYS A 48 -7.486 -10.977 -3.890 1.00 1.43 H new ATOM 0 HG2 LYS A 48 -4.534 -10.800 -4.539 1.00 55.02 H new ATOM 0 HG3 LYS A 48 -5.305 -12.372 -4.613 1.00 55.02 H new ATOM 0 HD2 LYS A 48 -6.871 -11.625 -6.324 1.00 64.14 H new ATOM 0 HD3 LYS A 48 -6.411 -9.948 -6.107 1.00 64.14 H new ATOM 0 HE2 LYS A 48 -4.096 -10.512 -6.949 1.00 0.31 H new ATOM 0 HE3 LYS A 48 -4.630 -12.155 -7.241 1.00 0.31 H new ATOM 0 HZ1 LYS A 48 -4.701 -10.529 -9.177 1.00 51.43 H new ATOM 0 HZ2 LYS A 48 -6.090 -11.470 -8.915 1.00 51.43 H new ATOM 0 HZ3 LYS A 48 -6.061 -9.844 -8.426 1.00 51.43 H new ATOM 788 N ASN A 49 -7.481 -7.995 -4.554 1.00 21.24 N ATOM 789 CA ASN A 49 -7.650 -6.952 -5.581 1.00 22.32 C ATOM 790 C ASN A 49 -7.225 -5.565 -5.045 1.00 41.43 C ATOM 791 O ASN A 49 -6.640 -4.782 -5.775 1.00 70.13 O ATOM 792 CB ASN A 49 -9.111 -6.922 -6.101 1.00 4.33 C ATOM 793 CG ASN A 49 -9.339 -5.963 -7.286 1.00 31.04 C ATOM 794 OD1 ASN A 49 -10.400 -5.366 -7.414 1.00 64.13 O ATOM 795 ND2 ASN A 49 -8.372 -5.843 -8.190 1.00 20.04 N ATOM 0 H ASN A 49 -8.358 -8.409 -4.238 1.00 21.24 H new ATOM 0 HA ASN A 49 -6.997 -7.198 -6.418 1.00 22.32 H new ATOM 0 HB2 ASN A 49 -9.398 -7.929 -6.402 1.00 4.33 H new ATOM 0 HB3 ASN A 49 -9.771 -6.634 -5.282 1.00 4.33 H new ATOM 0 HD21 ASN A 49 -8.508 -5.246 -9.006 1.00 20.04 H new ATOM 0 HD22 ASN A 49 -7.494 -6.348 -8.068 1.00 20.04 H new ATOM 802 N MET A 50 -7.514 -5.297 -3.758 1.00 54.11 N ATOM 803 CA MET A 50 -7.130 -4.031 -3.070 1.00 2.42 C ATOM 804 C MET A 50 -5.606 -3.896 -2.862 1.00 33.44 C ATOM 805 O MET A 50 -5.092 -2.779 -2.786 1.00 72.23 O ATOM 806 CB MET A 50 -7.871 -3.920 -1.723 1.00 44.24 C ATOM 807 CG MET A 50 -9.381 -3.775 -1.883 1.00 33.24 C ATOM 808 SD MET A 50 -9.873 -2.180 -2.558 1.00 14.54 S ATOM 809 CE MET A 50 -9.495 -1.120 -1.165 1.00 4.43 C ATOM 0 H MET A 50 -8.021 -5.947 -3.157 1.00 54.11 H new ATOM 0 HA MET A 50 -7.426 -3.209 -3.722 1.00 2.42 H new ATOM 0 HB2 MET A 50 -7.658 -4.805 -1.124 1.00 44.24 H new ATOM 0 HB3 MET A 50 -7.486 -3.062 -1.172 1.00 44.24 H new ATOM 0 HG2 MET A 50 -9.748 -4.567 -2.535 1.00 33.24 H new ATOM 0 HG3 MET A 50 -9.858 -3.914 -0.913 1.00 33.24 H new ATOM 0 HE1 MET A 50 -10.075 -0.200 -1.240 1.00 4.43 H new ATOM 0 HE2 MET A 50 -9.748 -1.634 -0.238 1.00 4.43 H new ATOM 0 HE3 MET A 50 -8.432 -0.880 -1.168 1.00 4.43 H new ATOM 819 N ILE A 51 -4.900 -5.032 -2.741 1.00 52.52 N ATOM 820 CA ILE A 51 -3.417 -5.055 -2.713 1.00 51.54 C ATOM 821 C ILE A 51 -2.862 -4.578 -4.079 1.00 23.54 C ATOM 822 O ILE A 51 -1.926 -3.782 -4.127 1.00 20.54 O ATOM 823 CB ILE A 51 -2.876 -6.492 -2.358 1.00 74.11 C ATOM 824 CG1 ILE A 51 -3.435 -6.946 -0.968 1.00 61.14 C ATOM 825 CG2 ILE A 51 -1.322 -6.550 -2.378 1.00 54.42 C ATOM 826 CD1 ILE A 51 -3.139 -8.386 -0.606 1.00 33.22 C ATOM 0 H ILE A 51 -5.329 -5.954 -2.660 1.00 52.52 H new ATOM 0 HA ILE A 51 -3.073 -4.375 -1.933 1.00 51.54 H new ATOM 0 HB ILE A 51 -3.229 -7.182 -3.125 1.00 74.11 H new ATOM 0 HG12 ILE A 51 -3.019 -6.299 -0.196 1.00 61.14 H new ATOM 0 HG13 ILE A 51 -4.515 -6.798 -0.960 1.00 61.14 H new ATOM 0 HG21 ILE A 51 -0.992 -7.558 -2.128 1.00 54.42 H new ATOM 0 HG22 ILE A 51 -0.961 -6.286 -3.372 1.00 54.42 H new ATOM 0 HG23 ILE A 51 -0.922 -5.846 -1.648 1.00 54.42 H new ATOM 0 HD11 ILE A 51 -3.564 -8.610 0.372 1.00 33.22 H new ATOM 0 HD12 ILE A 51 -3.579 -9.047 -1.353 1.00 33.22 H new ATOM 0 HD13 ILE A 51 -2.060 -8.539 -0.576 1.00 33.22 H new ATOM 838 N GLU A 52 -3.482 -5.065 -5.175 1.00 64.25 N ATOM 839 CA GLU A 52 -3.196 -4.586 -6.552 1.00 73.51 C ATOM 840 C GLU A 52 -3.539 -3.082 -6.704 1.00 3.43 C ATOM 841 O GLU A 52 -2.742 -2.309 -7.233 1.00 0.35 O ATOM 842 CB GLU A 52 -4.019 -5.390 -7.599 1.00 64.25 C ATOM 843 CG GLU A 52 -3.815 -6.915 -7.562 1.00 33.42 C ATOM 844 CD GLU A 52 -4.685 -7.669 -8.580 1.00 70.33 C ATOM 845 OE1 GLU A 52 -5.912 -7.783 -8.357 1.00 22.54 O ATOM 846 OE2 GLU A 52 -4.157 -8.181 -9.595 1.00 52.31 O ATOM 0 H GLU A 52 -4.191 -5.797 -5.135 1.00 64.25 H new ATOM 0 HA GLU A 52 -2.131 -4.734 -6.728 1.00 73.51 H new ATOM 0 HB2 GLU A 52 -5.077 -5.177 -7.447 1.00 64.25 H new ATOM 0 HB3 GLU A 52 -3.761 -5.029 -8.595 1.00 64.25 H new ATOM 0 HG2 GLU A 52 -2.766 -7.139 -7.754 1.00 33.42 H new ATOM 0 HG3 GLU A 52 -4.040 -7.281 -6.560 1.00 33.42 H new ATOM 853 N LYS A 53 -4.736 -2.691 -6.215 1.00 55.13 N ATOM 854 CA LYS A 53 -5.261 -1.302 -6.340 1.00 71.04 C ATOM 855 C LYS A 53 -4.312 -0.294 -5.679 1.00 13.13 C ATOM 856 O LYS A 53 -3.963 0.723 -6.269 1.00 62.44 O ATOM 857 CB LYS A 53 -6.672 -1.168 -5.683 1.00 41.12 C ATOM 858 CG LYS A 53 -7.812 -1.947 -6.371 1.00 52.20 C ATOM 859 CD LYS A 53 -8.185 -1.390 -7.761 1.00 0.33 C ATOM 860 CE LYS A 53 -9.388 -2.127 -8.382 1.00 54.42 C ATOM 861 NZ LYS A 53 -9.801 -1.529 -9.680 1.00 13.24 N ATOM 0 H LYS A 53 -5.368 -3.323 -5.723 1.00 55.13 H new ATOM 0 HA LYS A 53 -5.338 -1.086 -7.406 1.00 71.04 H new ATOM 0 HB2 LYS A 53 -6.603 -1.502 -4.648 1.00 41.12 H new ATOM 0 HB3 LYS A 53 -6.942 -0.112 -5.660 1.00 41.12 H new ATOM 0 HG2 LYS A 53 -7.518 -2.991 -6.474 1.00 52.20 H new ATOM 0 HG3 LYS A 53 -8.694 -1.926 -5.731 1.00 52.20 H new ATOM 0 HD2 LYS A 53 -8.417 -0.329 -7.674 1.00 0.33 H new ATOM 0 HD3 LYS A 53 -7.326 -1.475 -8.427 1.00 0.33 H new ATOM 0 HE2 LYS A 53 -9.132 -3.176 -8.532 1.00 54.42 H new ATOM 0 HE3 LYS A 53 -10.227 -2.100 -7.687 1.00 54.42 H new ATOM 0 HZ1 LYS A 53 -10.613 -2.055 -10.062 1.00 13.24 H new ATOM 0 HZ2 LYS A 53 -10.070 -0.535 -9.534 1.00 13.24 H new ATOM 0 HZ3 LYS A 53 -9.009 -1.578 -10.352 1.00 13.24 H new ATOM 875 N PHE A 54 -3.898 -0.630 -4.453 1.00 72.44 N ATOM 876 CA PHE A 54 -3.044 0.222 -3.621 1.00 53.44 C ATOM 877 C PHE A 54 -1.583 0.256 -4.153 1.00 55.10 C ATOM 878 O PHE A 54 -0.915 1.283 -4.071 1.00 33.30 O ATOM 879 CB PHE A 54 -3.101 -0.263 -2.147 1.00 15.35 C ATOM 880 CG PHE A 54 -2.420 0.696 -1.178 1.00 62.20 C ATOM 881 CD1 PHE A 54 -3.106 1.797 -0.666 1.00 11.11 C ATOM 882 CD2 PHE A 54 -1.082 0.538 -0.841 1.00 61.50 C ATOM 883 CE1 PHE A 54 -2.473 2.695 0.164 1.00 44.22 C ATOM 884 CE2 PHE A 54 -0.449 1.441 -0.028 1.00 75.11 C ATOM 885 CZ PHE A 54 -1.140 2.517 0.475 1.00 50.10 C ATOM 0 H PHE A 54 -4.150 -1.512 -4.006 1.00 72.44 H new ATOM 0 HA PHE A 54 -3.419 1.244 -3.667 1.00 53.44 H new ATOM 0 HB2 PHE A 54 -4.143 -0.390 -1.852 1.00 15.35 H new ATOM 0 HB3 PHE A 54 -2.627 -1.242 -2.074 1.00 15.35 H new ATOM 0 HD1 PHE A 54 -4.144 1.947 -0.923 1.00 11.11 H new ATOM 0 HD2 PHE A 54 -0.533 -0.309 -1.225 1.00 61.50 H new ATOM 0 HE1 PHE A 54 -3.017 3.535 0.570 1.00 44.22 H new ATOM 0 HE2 PHE A 54 0.594 1.307 0.218 1.00 75.11 H new ATOM 0 HZ PHE A 54 -0.638 3.226 1.116 1.00 50.10 H new ATOM 895 N ARG A 55 -1.108 -0.887 -4.680 1.00 14.53 N ATOM 896 CA ARG A 55 0.245 -1.025 -5.289 1.00 34.44 C ATOM 897 C ARG A 55 0.394 -0.122 -6.542 1.00 50.34 C ATOM 898 O ARG A 55 1.370 0.622 -6.682 1.00 24.33 O ATOM 899 CB ARG A 55 0.470 -2.539 -5.612 1.00 5.14 C ATOM 900 CG ARG A 55 1.729 -2.952 -6.436 1.00 55.11 C ATOM 901 CD ARG A 55 1.419 -3.111 -7.938 1.00 72.30 C ATOM 902 NE ARG A 55 2.443 -3.881 -8.658 1.00 12.13 N ATOM 903 CZ ARG A 55 2.368 -4.235 -9.923 1.00 40.24 C ATOM 904 NH1 ARG A 55 1.386 -3.849 -10.673 1.00 31.23 N ATOM 905 NH2 ARG A 55 3.307 -4.953 -10.437 1.00 41.43 N ATOM 0 H ARG A 55 -1.649 -1.752 -4.700 1.00 14.53 H new ATOM 0 HA ARG A 55 1.013 -0.688 -4.593 1.00 34.44 H new ATOM 0 HB2 ARG A 55 0.504 -3.077 -4.665 1.00 5.14 H new ATOM 0 HB3 ARG A 55 -0.408 -2.896 -6.150 1.00 5.14 H new ATOM 0 HG2 ARG A 55 2.508 -2.201 -6.306 1.00 55.11 H new ATOM 0 HG3 ARG A 55 2.123 -3.891 -6.047 1.00 55.11 H new ATOM 0 HD2 ARG A 55 0.454 -3.604 -8.054 1.00 72.30 H new ATOM 0 HD3 ARG A 55 1.329 -2.124 -8.391 1.00 72.30 H new ATOM 0 HE ARG A 55 3.274 -4.162 -8.138 1.00 12.13 H new ATOM 0 HH11 ARG A 55 0.650 -3.258 -10.286 1.00 31.23 H new ATOM 0 HH12 ARG A 55 1.348 -4.136 -11.651 1.00 31.23 H new ATOM 0 HH21 ARG A 55 4.100 -5.242 -9.864 1.00 41.43 H new ATOM 0 HH22 ARG A 55 3.257 -5.232 -11.417 1.00 41.43 H new ATOM 919 N ASP A 56 -0.609 -0.184 -7.431 1.00 23.01 N ATOM 920 CA ASP A 56 -0.651 0.618 -8.677 1.00 21.21 C ATOM 921 C ASP A 56 -0.995 2.116 -8.403 1.00 20.23 C ATOM 922 O ASP A 56 -0.563 3.007 -9.152 1.00 51.30 O ATOM 923 CB ASP A 56 -1.647 -0.042 -9.661 1.00 72.40 C ATOM 924 CG ASP A 56 -1.085 -1.353 -10.253 1.00 72.51 C ATOM 925 OD1 ASP A 56 -0.328 -1.291 -11.230 1.00 41.25 O ATOM 926 OD2 ASP A 56 -1.377 -2.451 -9.733 1.00 3.23 O ATOM 0 H ASP A 56 -1.419 -0.792 -7.311 1.00 23.01 H new ATOM 0 HA ASP A 56 0.341 0.627 -9.129 1.00 21.21 H new ATOM 0 HB2 ASP A 56 -2.585 -0.249 -9.145 1.00 72.40 H new ATOM 0 HB3 ASP A 56 -1.874 0.653 -10.469 1.00 72.40 H new ATOM 931 N GLU A 57 -1.775 2.371 -7.329 1.00 1.04 N ATOM 932 CA GLU A 57 -2.081 3.746 -6.847 1.00 72.14 C ATOM 933 C GLU A 57 -0.811 4.428 -6.291 1.00 33.34 C ATOM 934 O GLU A 57 -0.545 5.606 -6.569 1.00 2.44 O ATOM 935 CB GLU A 57 -3.187 3.710 -5.745 1.00 31.32 C ATOM 936 CG GLU A 57 -3.539 5.072 -5.094 1.00 40.00 C ATOM 937 CD GLU A 57 -4.185 6.085 -6.061 1.00 53.21 C ATOM 938 OE1 GLU A 57 -3.461 6.755 -6.832 1.00 35.22 O ATOM 939 OE2 GLU A 57 -5.426 6.223 -6.053 1.00 63.42 O ATOM 0 H GLU A 57 -2.211 1.637 -6.771 1.00 1.04 H new ATOM 0 HA GLU A 57 -2.446 4.324 -7.696 1.00 72.14 H new ATOM 0 HB2 GLU A 57 -4.094 3.293 -6.182 1.00 31.32 H new ATOM 0 HB3 GLU A 57 -2.868 3.025 -4.959 1.00 31.32 H new ATOM 0 HG2 GLU A 57 -4.219 4.899 -4.260 1.00 40.00 H new ATOM 0 HG3 GLU A 57 -2.631 5.510 -4.680 1.00 40.00 H new ATOM 946 N MET A 58 -0.034 3.664 -5.494 1.00 33.02 N ATOM 947 CA MET A 58 1.247 4.132 -4.931 1.00 53.43 C ATOM 948 C MET A 58 2.225 4.611 -6.018 1.00 3.41 C ATOM 949 O MET A 58 2.860 5.643 -5.835 1.00 12.11 O ATOM 950 CB MET A 58 1.933 3.052 -4.041 1.00 42.43 C ATOM 951 CG MET A 58 1.527 3.058 -2.562 1.00 33.03 C ATOM 952 SD MET A 58 2.913 2.609 -1.492 1.00 42.05 S ATOM 953 CE MET A 58 4.030 3.996 -1.764 1.00 21.14 C ATOM 0 H MET A 58 -0.277 2.711 -5.225 1.00 33.02 H new ATOM 0 HA MET A 58 0.994 4.984 -4.300 1.00 53.43 H new ATOM 0 HB2 MET A 58 1.710 2.069 -4.457 1.00 42.43 H new ATOM 0 HB3 MET A 58 3.013 3.187 -4.104 1.00 42.43 H new ATOM 0 HG2 MET A 58 1.161 4.047 -2.288 1.00 33.03 H new ATOM 0 HG3 MET A 58 0.705 2.359 -2.407 1.00 33.03 H new ATOM 0 HE1 MET A 58 4.939 3.641 -2.251 1.00 21.14 H new ATOM 0 HE2 MET A 58 3.543 4.736 -2.399 1.00 21.14 H new ATOM 0 HE3 MET A 58 4.285 4.451 -0.807 1.00 21.14 H new ATOM 963 N GLU A 59 2.343 3.861 -7.138 1.00 75.35 N ATOM 964 CA GLU A 59 3.281 4.230 -8.227 1.00 42.12 C ATOM 965 C GLU A 59 2.834 5.513 -8.973 1.00 73.52 C ATOM 966 O GLU A 59 3.672 6.260 -9.478 1.00 2.20 O ATOM 967 CB GLU A 59 3.528 3.064 -9.222 1.00 43.30 C ATOM 968 CG GLU A 59 4.739 3.313 -10.156 1.00 15.22 C ATOM 969 CD GLU A 59 5.073 2.144 -11.093 1.00 55.04 C ATOM 970 OE1 GLU A 59 4.364 1.971 -12.107 1.00 73.31 O ATOM 971 OE2 GLU A 59 6.060 1.421 -10.841 1.00 61.53 O ATOM 0 H GLU A 59 1.810 3.009 -7.312 1.00 75.35 H new ATOM 0 HA GLU A 59 4.233 4.445 -7.742 1.00 42.12 H new ATOM 0 HB2 GLU A 59 3.691 2.144 -8.661 1.00 43.30 H new ATOM 0 HB3 GLU A 59 2.634 2.914 -9.827 1.00 43.30 H new ATOM 0 HG2 GLU A 59 4.540 4.199 -10.759 1.00 15.22 H new ATOM 0 HG3 GLU A 59 5.614 3.533 -9.544 1.00 15.22 H new ATOM 978 N GLN A 60 1.510 5.762 -9.032 1.00 30.31 N ATOM 979 CA GLN A 60 0.960 7.035 -9.566 1.00 64.32 C ATOM 980 C GLN A 60 1.479 8.246 -8.734 1.00 60.10 C ATOM 981 O GLN A 60 2.019 9.212 -9.285 1.00 34.22 O ATOM 982 CB GLN A 60 -0.596 6.997 -9.549 1.00 74.30 C ATOM 983 CG GLN A 60 -1.288 8.243 -10.163 1.00 30.53 C ATOM 984 CD GLN A 60 -2.823 8.270 -10.014 1.00 55.33 C ATOM 985 OE1 GLN A 60 -3.432 9.335 -9.935 1.00 31.43 O ATOM 986 NE2 GLN A 60 -3.469 7.114 -9.987 1.00 34.43 N ATOM 0 H GLN A 60 0.798 5.102 -8.718 1.00 30.31 H new ATOM 0 HA GLN A 60 1.298 7.153 -10.596 1.00 64.32 H new ATOM 0 HB2 GLN A 60 -0.929 6.111 -10.090 1.00 74.30 H new ATOM 0 HB3 GLN A 60 -0.931 6.885 -8.518 1.00 74.30 H new ATOM 0 HG2 GLN A 60 -0.876 9.137 -9.695 1.00 30.53 H new ATOM 0 HG3 GLN A 60 -1.039 8.294 -11.223 1.00 30.53 H new ATOM 0 HE21 GLN A 60 -2.950 6.238 -10.054 1.00 34.43 H new ATOM 0 HE22 GLN A 60 -4.485 7.100 -9.900 1.00 34.43 H new ATOM 995 N MET A 61 1.336 8.140 -7.398 1.00 51.32 N ATOM 996 CA MET A 61 1.766 9.189 -6.437 1.00 20.51 C ATOM 997 C MET A 61 3.312 9.234 -6.253 1.00 1.05 C ATOM 998 O MET A 61 3.865 10.258 -5.852 1.00 60.21 O ATOM 999 CB MET A 61 1.068 8.948 -5.076 1.00 34.41 C ATOM 1000 CG MET A 61 -0.469 8.994 -5.125 1.00 63.45 C ATOM 1001 SD MET A 61 -1.225 8.582 -3.534 1.00 33.24 S ATOM 1002 CE MET A 61 -0.716 6.877 -3.322 1.00 75.34 C ATOM 0 H MET A 61 0.919 7.325 -6.949 1.00 51.32 H new ATOM 0 HA MET A 61 1.473 10.157 -6.844 1.00 20.51 H new ATOM 0 HB2 MET A 61 1.377 7.976 -4.692 1.00 34.41 H new ATOM 0 HB3 MET A 61 1.418 9.697 -4.366 1.00 34.41 H new ATOM 0 HG2 MET A 61 -0.790 9.990 -5.429 1.00 63.45 H new ATOM 0 HG3 MET A 61 -0.826 8.298 -5.884 1.00 63.45 H new ATOM 0 HE1 MET A 61 -1.478 6.337 -2.759 1.00 75.34 H new ATOM 0 HE2 MET A 61 -0.588 6.411 -4.299 1.00 75.34 H new ATOM 0 HE3 MET A 61 0.228 6.844 -2.778 1.00 75.34 H new ATOM 1012 N TYR A 62 3.981 8.099 -6.534 1.00 21.01 N ATOM 1013 CA TYR A 62 5.461 7.957 -6.464 1.00 5.44 C ATOM 1014 C TYR A 62 6.135 8.677 -7.656 1.00 72.53 C ATOM 1015 O TYR A 62 7.116 9.403 -7.484 1.00 53.33 O ATOM 1016 CB TYR A 62 5.836 6.440 -6.419 1.00 14.14 C ATOM 1017 CG TYR A 62 7.266 6.084 -6.861 1.00 51.30 C ATOM 1018 CD1 TYR A 62 8.378 6.492 -6.123 1.00 72.23 C ATOM 1019 CD2 TYR A 62 7.498 5.360 -8.041 1.00 23.50 C ATOM 1020 CE1 TYR A 62 9.656 6.193 -6.542 1.00 51.43 C ATOM 1021 CE2 TYR A 62 8.777 5.055 -8.453 1.00 53.22 C ATOM 1022 CZ TYR A 62 9.854 5.478 -7.706 1.00 72.35 C ATOM 1023 OH TYR A 62 11.135 5.186 -8.125 1.00 3.24 O ATOM 0 H TYR A 62 3.510 7.241 -6.820 1.00 21.01 H new ATOM 0 HA TYR A 62 5.829 8.430 -5.553 1.00 5.44 H new ATOM 0 HB2 TYR A 62 5.692 6.081 -5.400 1.00 14.14 H new ATOM 0 HB3 TYR A 62 5.135 5.894 -7.051 1.00 14.14 H new ATOM 0 HD1 TYR A 62 8.235 7.050 -5.210 1.00 72.23 H new ATOM 0 HD2 TYR A 62 6.658 5.036 -8.637 1.00 23.50 H new ATOM 0 HE1 TYR A 62 10.505 6.519 -5.959 1.00 51.43 H new ATOM 0 HE2 TYR A 62 8.934 4.487 -9.358 1.00 53.22 H new ATOM 0 HH TYR A 62 11.097 4.676 -8.961 1.00 3.24 H new ATOM 1033 N LYS A 63 5.602 8.433 -8.862 1.00 54.43 N ATOM 1034 CA LYS A 63 6.021 9.152 -10.090 1.00 63.35 C ATOM 1035 C LYS A 63 5.764 10.676 -9.959 1.00 34.01 C ATOM 1036 O LYS A 63 6.537 11.495 -10.472 1.00 2.24 O ATOM 1037 CB LYS A 63 5.282 8.597 -11.343 1.00 53.44 C ATOM 1038 CG LYS A 63 5.796 7.234 -11.873 1.00 13.35 C ATOM 1039 CD LYS A 63 5.066 6.813 -13.178 1.00 2.23 C ATOM 1040 CE LYS A 63 5.738 5.639 -13.915 1.00 71.10 C ATOM 1041 NZ LYS A 63 5.703 4.378 -13.146 1.00 14.21 N ATOM 0 H LYS A 63 4.873 7.738 -9.021 1.00 54.43 H new ATOM 0 HA LYS A 63 7.091 8.988 -10.215 1.00 63.35 H new ATOM 0 HB2 LYS A 63 4.223 8.498 -11.104 1.00 53.44 H new ATOM 0 HB3 LYS A 63 5.361 9.332 -12.144 1.00 53.44 H new ATOM 0 HG2 LYS A 63 6.868 7.297 -12.060 1.00 13.35 H new ATOM 0 HG3 LYS A 63 5.650 6.469 -11.111 1.00 13.35 H new ATOM 0 HD2 LYS A 63 4.039 6.538 -12.936 1.00 2.23 H new ATOM 0 HD3 LYS A 63 5.017 7.671 -13.849 1.00 2.23 H new ATOM 0 HE2 LYS A 63 5.242 5.487 -14.874 1.00 71.10 H new ATOM 0 HE3 LYS A 63 6.775 5.898 -14.130 1.00 71.10 H new ATOM 0 HZ1 LYS A 63 6.242 3.647 -13.653 1.00 14.21 H new ATOM 0 HZ2 LYS A 63 6.125 4.532 -12.208 1.00 14.21 H new ATOM 0 HZ3 LYS A 63 4.717 4.066 -13.035 1.00 14.21 H new ATOM 1055 N ASP A 64 4.667 11.031 -9.265 1.00 12.04 N ATOM 1056 CA ASP A 64 4.265 12.434 -9.050 1.00 74.42 C ATOM 1057 C ASP A 64 5.150 13.135 -7.985 1.00 73.35 C ATOM 1058 O ASP A 64 5.475 14.320 -8.127 1.00 64.21 O ATOM 1059 CB ASP A 64 2.761 12.502 -8.666 1.00 30.20 C ATOM 1060 CG ASP A 64 2.188 13.924 -8.768 1.00 15.03 C ATOM 1061 OD1 ASP A 64 2.109 14.450 -9.904 1.00 20.33 O ATOM 1062 OD2 ASP A 64 1.838 14.532 -7.728 1.00 15.30 O ATOM 0 H ASP A 64 4.035 10.354 -8.838 1.00 12.04 H new ATOM 0 HA ASP A 64 4.414 12.975 -9.985 1.00 74.42 H new ATOM 0 HB2 ASP A 64 2.193 11.838 -9.318 1.00 30.20 H new ATOM 0 HB3 ASP A 64 2.633 12.135 -7.648 1.00 30.20 H new ATOM 1067 N ALA A 65 5.540 12.387 -6.937 1.00 42.12 N ATOM 1068 CA ALA A 65 6.378 12.904 -5.827 1.00 33.33 C ATOM 1069 C ALA A 65 7.120 11.739 -5.098 1.00 44.34 C ATOM 1070 O ALA A 65 6.526 11.047 -4.268 1.00 55.05 O ATOM 1071 CB ALA A 65 5.513 13.721 -4.840 1.00 54.53 C ATOM 0 H ALA A 65 5.285 11.405 -6.831 1.00 42.12 H new ATOM 0 HA ALA A 65 7.137 13.566 -6.245 1.00 33.33 H new ATOM 0 HB1 ALA A 65 6.140 14.095 -4.030 1.00 54.53 H new ATOM 0 HB2 ALA A 65 5.058 14.561 -5.364 1.00 54.53 H new ATOM 0 HB3 ALA A 65 4.730 13.084 -4.428 1.00 54.53 H new ATOM 1077 N PRO A 66 8.414 11.451 -5.455 1.00 54.24 N ATOM 1078 CA PRO A 66 9.245 10.443 -4.752 1.00 12.45 C ATOM 1079 C PRO A 66 10.169 11.056 -3.650 1.00 54.30 C ATOM 1080 O PRO A 66 11.086 11.828 -3.950 1.00 54.52 O ATOM 1081 CB PRO A 66 10.059 9.854 -5.933 1.00 54.44 C ATOM 1082 CG PRO A 66 10.260 11.006 -6.890 1.00 33.31 C ATOM 1083 CD PRO A 66 9.151 12.023 -6.617 1.00 54.30 C ATOM 0 HA PRO A 66 8.659 9.714 -4.193 1.00 12.45 H new ATOM 0 HB2 PRO A 66 11.014 9.454 -5.592 1.00 54.44 H new ATOM 0 HB3 PRO A 66 9.523 9.034 -6.411 1.00 54.44 H new ATOM 0 HG2 PRO A 66 11.241 11.459 -6.745 1.00 33.31 H new ATOM 0 HG3 PRO A 66 10.218 10.660 -7.923 1.00 33.31 H new ATOM 0 HD2 PRO A 66 9.560 13.006 -6.385 1.00 54.30 H new ATOM 0 HD3 PRO A 66 8.499 12.145 -7.482 1.00 54.30 H new ATOM 1091 N ASN A 67 9.916 10.725 -2.364 1.00 12.52 N ATOM 1092 CA ASN A 67 10.787 11.180 -1.245 1.00 22.32 C ATOM 1093 C ASN A 67 12.050 10.273 -1.094 1.00 11.04 C ATOM 1094 O ASN A 67 13.170 10.735 -1.341 1.00 14.13 O ATOM 1095 CB ASN A 67 9.978 11.345 0.092 1.00 3.33 C ATOM 1096 CG ASN A 67 8.989 10.219 0.438 1.00 60.24 C ATOM 1097 OD1 ASN A 67 9.199 9.054 0.136 1.00 5.01 O ATOM 1098 ND2 ASN A 67 7.891 10.563 1.094 1.00 23.35 N ATOM 0 H ASN A 67 9.125 10.151 -2.072 1.00 12.52 H new ATOM 0 HA ASN A 67 11.158 12.174 -1.495 1.00 22.32 H new ATOM 0 HB2 ASN A 67 10.690 11.438 0.912 1.00 3.33 H new ATOM 0 HB3 ASN A 67 9.424 12.283 0.042 1.00 3.33 H new ATOM 0 HD21 ASN A 67 7.208 9.851 1.353 1.00 23.35 H new ATOM 0 HD22 ASN A 67 7.729 11.540 1.340 1.00 23.35 H new ATOM 1105 N ALA A 68 11.847 8.983 -0.760 1.00 2.13 N ATOM 1106 CA ALA A 68 12.924 7.973 -0.575 1.00 42.51 C ATOM 1107 C ALA A 68 12.301 6.615 -0.203 1.00 61.21 C ATOM 1108 O ALA A 68 12.522 5.600 -0.876 1.00 3.04 O ATOM 1109 CB ALA A 68 13.958 8.396 0.499 1.00 62.01 C ATOM 0 H ALA A 68 10.914 8.600 -0.607 1.00 2.13 H new ATOM 0 HA ALA A 68 13.462 7.892 -1.520 1.00 42.51 H new ATOM 0 HB1 ALA A 68 14.721 7.623 0.594 1.00 62.01 H new ATOM 0 HB2 ALA A 68 14.427 9.335 0.203 1.00 62.01 H new ATOM 0 HB3 ALA A 68 13.455 8.528 1.457 1.00 62.01 H new ATOM 1115 N VAL A 69 11.511 6.617 0.888 1.00 23.12 N ATOM 1116 CA VAL A 69 10.776 5.422 1.354 1.00 3.23 C ATOM 1117 C VAL A 69 9.636 5.029 0.385 1.00 1.02 C ATOM 1118 O VAL A 69 9.331 3.855 0.267 1.00 21.54 O ATOM 1119 CB VAL A 69 10.212 5.612 2.811 1.00 24.51 C ATOM 1120 CG1 VAL A 69 11.363 5.748 3.833 1.00 52.03 C ATOM 1121 CG2 VAL A 69 9.249 6.821 2.903 1.00 45.13 C ATOM 0 H VAL A 69 11.364 7.442 1.470 1.00 23.12 H new ATOM 0 HA VAL A 69 11.499 4.606 1.373 1.00 3.23 H new ATOM 0 HB VAL A 69 9.637 4.719 3.056 1.00 24.51 H new ATOM 0 HG11 VAL A 69 10.948 5.878 4.833 1.00 52.03 H new ATOM 0 HG12 VAL A 69 11.978 4.849 3.810 1.00 52.03 H new ATOM 0 HG13 VAL A 69 11.975 6.613 3.578 1.00 52.03 H new ATOM 0 HG21 VAL A 69 8.882 6.917 3.925 1.00 45.13 H new ATOM 0 HG22 VAL A 69 9.779 7.731 2.621 1.00 45.13 H new ATOM 0 HG23 VAL A 69 8.407 6.668 2.228 1.00 45.13 H new ATOM 1131 N MET A 70 9.048 6.029 -0.312 1.00 63.50 N ATOM 1132 CA MET A 70 7.931 5.834 -1.286 1.00 11.24 C ATOM 1133 C MET A 70 8.270 4.726 -2.331 1.00 70.21 C ATOM 1134 O MET A 70 7.447 3.863 -2.639 1.00 24.33 O ATOM 1135 CB MET A 70 7.635 7.190 -2.005 1.00 44.52 C ATOM 1136 CG MET A 70 6.265 7.295 -2.693 1.00 64.22 C ATOM 1137 SD MET A 70 4.898 7.318 -1.510 1.00 75.43 S ATOM 1138 CE MET A 70 3.481 7.584 -2.581 1.00 41.55 C ATOM 0 H MET A 70 9.332 7.004 -0.219 1.00 63.50 H new ATOM 0 HA MET A 70 7.046 5.506 -0.740 1.00 11.24 H new ATOM 0 HB2 MET A 70 7.716 7.993 -1.273 1.00 44.52 H new ATOM 0 HB3 MET A 70 8.410 7.361 -2.752 1.00 44.52 H new ATOM 0 HG2 MET A 70 6.234 8.202 -3.297 1.00 64.22 H new ATOM 0 HG3 MET A 70 6.138 6.453 -3.374 1.00 64.22 H new ATOM 0 HE1 MET A 70 2.563 7.478 -2.003 1.00 41.55 H new ATOM 0 HE2 MET A 70 3.529 8.587 -3.005 1.00 41.55 H new ATOM 0 HE3 MET A 70 3.490 6.849 -3.386 1.00 41.55 H new ATOM 1148 N GLU A 71 9.516 4.779 -2.833 1.00 55.12 N ATOM 1149 CA GLU A 71 10.093 3.784 -3.775 1.00 61.24 C ATOM 1150 C GLU A 71 10.178 2.382 -3.140 1.00 62.53 C ATOM 1151 O GLU A 71 9.746 1.385 -3.731 1.00 74.10 O ATOM 1152 CB GLU A 71 11.512 4.293 -4.203 1.00 64.51 C ATOM 1153 CG GLU A 71 12.283 3.446 -5.258 1.00 5.02 C ATOM 1154 CD GLU A 71 13.024 2.214 -4.685 1.00 1.22 C ATOM 1155 OE1 GLU A 71 13.864 2.392 -3.777 1.00 2.55 O ATOM 1156 OE2 GLU A 71 12.762 1.073 -5.128 1.00 0.35 O ATOM 0 H GLU A 71 10.169 5.526 -2.595 1.00 55.12 H new ATOM 0 HA GLU A 71 9.446 3.689 -4.647 1.00 61.24 H new ATOM 0 HB2 GLU A 71 11.404 5.304 -4.595 1.00 64.51 H new ATOM 0 HB3 GLU A 71 12.130 4.362 -3.308 1.00 64.51 H new ATOM 0 HG2 GLU A 71 11.578 3.108 -6.017 1.00 5.02 H new ATOM 0 HG3 GLU A 71 13.008 4.088 -5.759 1.00 5.02 H new ATOM 1163 N GLN A 72 10.767 2.335 -1.940 1.00 54.02 N ATOM 1164 CA GLN A 72 10.985 1.085 -1.185 1.00 14.10 C ATOM 1165 C GLN A 72 9.644 0.382 -0.858 1.00 3.21 C ATOM 1166 O GLN A 72 9.553 -0.842 -0.892 1.00 44.22 O ATOM 1167 CB GLN A 72 11.795 1.408 0.102 1.00 44.10 C ATOM 1168 CG GLN A 72 13.162 2.080 -0.181 1.00 11.03 C ATOM 1169 CD GLN A 72 13.936 2.473 1.082 1.00 41.11 C ATOM 1170 OE1 GLN A 72 14.706 1.689 1.625 1.00 31.33 O ATOM 1171 NE2 GLN A 72 13.751 3.693 1.552 1.00 11.32 N ATOM 0 H GLN A 72 11.110 3.166 -1.458 1.00 54.02 H new ATOM 0 HA GLN A 72 11.557 0.388 -1.798 1.00 14.10 H new ATOM 0 HB2 GLN A 72 11.202 2.063 0.740 1.00 44.10 H new ATOM 0 HB3 GLN A 72 11.961 0.486 0.659 1.00 44.10 H new ATOM 0 HG2 GLN A 72 13.774 1.400 -0.773 1.00 11.03 H new ATOM 0 HG3 GLN A 72 12.999 2.971 -0.787 1.00 11.03 H new ATOM 0 HE21 GLN A 72 13.105 4.328 1.083 1.00 11.32 H new ATOM 0 HE22 GLN A 72 14.254 4.001 2.384 1.00 11.32 H new ATOM 1180 N LEU A 73 8.604 1.194 -0.597 1.00 43.12 N ATOM 1181 CA LEU A 73 7.231 0.721 -0.314 1.00 34.22 C ATOM 1182 C LEU A 73 6.570 0.078 -1.563 1.00 61.44 C ATOM 1183 O LEU A 73 5.794 -0.873 -1.424 1.00 64.01 O ATOM 1184 CB LEU A 73 6.378 1.899 0.225 1.00 61.44 C ATOM 1185 CG LEU A 73 6.862 2.507 1.585 1.00 43.20 C ATOM 1186 CD1 LEU A 73 6.184 3.864 1.885 1.00 62.31 C ATOM 1187 CD2 LEU A 73 6.667 1.511 2.751 1.00 10.01 C ATOM 0 H LEU A 73 8.691 2.210 -0.576 1.00 43.12 H new ATOM 0 HA LEU A 73 7.287 -0.058 0.446 1.00 34.22 H new ATOM 0 HB2 LEU A 73 6.366 2.690 -0.524 1.00 61.44 H new ATOM 0 HB3 LEU A 73 5.350 1.557 0.344 1.00 61.44 H new ATOM 0 HG LEU A 73 7.931 2.697 1.487 1.00 43.20 H new ATOM 0 HD11 LEU A 73 6.548 4.250 2.837 1.00 62.31 H new ATOM 0 HD12 LEU A 73 6.421 4.573 1.091 1.00 62.31 H new ATOM 0 HD13 LEU A 73 5.104 3.727 1.938 1.00 62.31 H new ATOM 0 HD21 LEU A 73 7.013 1.965 3.679 1.00 10.01 H new ATOM 0 HD22 LEU A 73 5.610 1.260 2.842 1.00 10.01 H new ATOM 0 HD23 LEU A 73 7.240 0.605 2.555 1.00 10.01 H new ATOM 1199 N LEU A 74 6.888 0.600 -2.779 1.00 52.43 N ATOM 1200 CA LEU A 74 6.481 -0.045 -4.064 1.00 45.14 C ATOM 1201 C LEU A 74 7.026 -1.494 -4.145 1.00 35.34 C ATOM 1202 O LEU A 74 6.297 -2.427 -4.507 1.00 23.45 O ATOM 1203 CB LEU A 74 6.948 0.779 -5.322 1.00 35.14 C ATOM 1204 CG LEU A 74 5.905 1.764 -5.940 1.00 34.43 C ATOM 1205 CD1 LEU A 74 4.608 1.022 -6.324 1.00 74.53 C ATOM 1206 CD2 LEU A 74 5.615 2.951 -5.009 1.00 2.11 C ATOM 0 H LEU A 74 7.422 1.461 -2.899 1.00 52.43 H new ATOM 0 HA LEU A 74 5.391 -0.069 -4.074 1.00 45.14 H new ATOM 0 HB2 LEU A 74 7.834 1.351 -5.045 1.00 35.14 H new ATOM 0 HB3 LEU A 74 7.252 0.075 -6.097 1.00 35.14 H new ATOM 0 HG LEU A 74 6.342 2.174 -6.850 1.00 34.43 H new ATOM 0 HD11 LEU A 74 3.897 1.729 -6.752 1.00 74.53 H new ATOM 0 HD12 LEU A 74 4.835 0.247 -7.057 1.00 74.53 H new ATOM 0 HD13 LEU A 74 4.174 0.564 -5.435 1.00 74.53 H new ATOM 0 HD21 LEU A 74 4.885 3.611 -5.477 1.00 2.11 H new ATOM 0 HD22 LEU A 74 5.217 2.583 -4.063 1.00 2.11 H new ATOM 0 HD23 LEU A 74 6.537 3.503 -4.825 1.00 2.11 H new ATOM 1218 N GLU A 75 8.316 -1.650 -3.795 1.00 54.04 N ATOM 1219 CA GLU A 75 9.004 -2.961 -3.784 1.00 31.42 C ATOM 1220 C GLU A 75 8.411 -3.908 -2.702 1.00 1.23 C ATOM 1221 O GLU A 75 8.296 -5.116 -2.922 1.00 1.24 O ATOM 1222 CB GLU A 75 10.524 -2.754 -3.548 1.00 74.34 C ATOM 1223 CG GLU A 75 11.386 -4.025 -3.708 1.00 63.42 C ATOM 1224 CD GLU A 75 12.863 -3.797 -3.347 1.00 31.54 C ATOM 1225 OE1 GLU A 75 13.581 -3.157 -4.144 1.00 72.42 O ATOM 1226 OE2 GLU A 75 13.305 -4.233 -2.259 1.00 71.03 O ATOM 0 H GLU A 75 8.913 -0.873 -3.511 1.00 54.04 H new ATOM 0 HA GLU A 75 8.850 -3.434 -4.754 1.00 31.42 H new ATOM 0 HB2 GLU A 75 10.885 -1.998 -4.245 1.00 74.34 H new ATOM 0 HB3 GLU A 75 10.670 -2.358 -2.543 1.00 74.34 H new ATOM 0 HG2 GLU A 75 10.981 -4.815 -3.075 1.00 63.42 H new ATOM 0 HG3 GLU A 75 11.319 -4.376 -4.738 1.00 63.42 H new ATOM 1233 N GLU A 76 8.034 -3.334 -1.541 1.00 65.34 N ATOM 1234 CA GLU A 76 7.463 -4.093 -0.399 1.00 64.40 C ATOM 1235 C GLU A 76 6.098 -4.736 -0.735 1.00 23.34 C ATOM 1236 O GLU A 76 5.927 -5.948 -0.562 1.00 14.14 O ATOM 1237 CB GLU A 76 7.321 -3.178 0.843 1.00 51.25 C ATOM 1238 CG GLU A 76 8.649 -2.702 1.458 1.00 63.04 C ATOM 1239 CD GLU A 76 9.570 -3.858 1.884 1.00 73.14 C ATOM 1240 OE1 GLU A 76 9.337 -4.444 2.964 1.00 14.24 O ATOM 1241 OE2 GLU A 76 10.525 -4.186 1.144 1.00 24.43 O ATOM 0 H GLU A 76 8.115 -2.333 -1.365 1.00 65.34 H new ATOM 0 HA GLU A 76 8.160 -4.902 -0.181 1.00 64.40 H new ATOM 0 HB2 GLU A 76 6.733 -2.303 0.565 1.00 51.25 H new ATOM 0 HB3 GLU A 76 6.756 -3.713 1.606 1.00 51.25 H new ATOM 0 HG2 GLU A 76 9.173 -2.077 0.735 1.00 63.04 H new ATOM 0 HG3 GLU A 76 8.437 -2.077 2.325 1.00 63.04 H new ATOM 1248 N ILE A 77 5.134 -3.911 -1.209 1.00 34.34 N ATOM 1249 CA ILE A 77 3.783 -4.398 -1.617 1.00 3.32 C ATOM 1250 C ILE A 77 3.901 -5.437 -2.763 1.00 52.45 C ATOM 1251 O ILE A 77 3.091 -6.354 -2.862 1.00 4.22 O ATOM 1252 CB ILE A 77 2.833 -3.226 -2.098 1.00 64.32 C ATOM 1253 CG1 ILE A 77 2.838 -2.040 -1.089 1.00 64.40 C ATOM 1254 CG2 ILE A 77 1.375 -3.732 -2.310 1.00 64.34 C ATOM 1255 CD1 ILE A 77 2.147 -0.781 -1.584 1.00 12.35 C ATOM 0 H ILE A 77 5.261 -2.905 -1.320 1.00 34.34 H new ATOM 0 HA ILE A 77 3.344 -4.855 -0.730 1.00 3.32 H new ATOM 0 HB ILE A 77 3.222 -2.871 -3.052 1.00 64.32 H new ATOM 0 HG12 ILE A 77 2.356 -2.364 -0.167 1.00 64.40 H new ATOM 0 HG13 ILE A 77 3.871 -1.797 -0.840 1.00 64.40 H new ATOM 0 HG21 ILE A 77 0.747 -2.904 -2.640 1.00 64.34 H new ATOM 0 HG22 ILE A 77 1.369 -4.517 -3.067 1.00 64.34 H new ATOM 0 HG23 ILE A 77 0.988 -4.130 -1.372 1.00 64.34 H new ATOM 0 HD11 ILE A 77 2.201 -0.010 -0.815 1.00 12.35 H new ATOM 0 HD12 ILE A 77 2.641 -0.426 -2.488 1.00 12.35 H new ATOM 0 HD13 ILE A 77 1.103 -1.002 -1.804 1.00 12.35 H new ATOM 1267 N GLU A 78 4.935 -5.261 -3.610 1.00 45.45 N ATOM 1268 CA GLU A 78 5.228 -6.143 -4.762 1.00 22.05 C ATOM 1269 C GLU A 78 5.568 -7.589 -4.306 1.00 42.32 C ATOM 1270 O GLU A 78 5.032 -8.565 -4.846 1.00 31.34 O ATOM 1271 CB GLU A 78 6.408 -5.545 -5.585 1.00 42.12 C ATOM 1272 CG GLU A 78 6.560 -6.105 -7.009 1.00 63.22 C ATOM 1273 CD GLU A 78 5.408 -5.668 -7.927 1.00 5.44 C ATOM 1274 OE1 GLU A 78 5.496 -4.574 -8.519 1.00 32.13 O ATOM 1275 OE2 GLU A 78 4.404 -6.396 -8.051 1.00 30.21 O ATOM 0 H GLU A 78 5.600 -4.493 -3.514 1.00 45.45 H new ATOM 0 HA GLU A 78 4.336 -6.199 -5.385 1.00 22.05 H new ATOM 0 HB2 GLU A 78 6.276 -4.465 -5.648 1.00 42.12 H new ATOM 0 HB3 GLU A 78 7.336 -5.721 -5.041 1.00 42.12 H new ATOM 0 HG2 GLU A 78 7.507 -5.769 -7.431 1.00 63.22 H new ATOM 0 HG3 GLU A 78 6.598 -7.194 -6.968 1.00 63.22 H new ATOM 1282 N LYS A 79 6.458 -7.694 -3.294 1.00 32.43 N ATOM 1283 CA LYS A 79 6.846 -8.986 -2.658 1.00 63.33 C ATOM 1284 C LYS A 79 5.611 -9.729 -2.096 1.00 51.11 C ATOM 1285 O LYS A 79 5.461 -10.952 -2.238 1.00 15.35 O ATOM 1286 CB LYS A 79 7.856 -8.722 -1.502 1.00 24.23 C ATOM 1287 CG LYS A 79 9.173 -8.044 -1.938 1.00 52.24 C ATOM 1288 CD LYS A 79 10.054 -7.584 -0.747 1.00 42.33 C ATOM 1289 CE LYS A 79 11.327 -6.852 -1.213 1.00 34.14 C ATOM 1290 NZ LYS A 79 12.136 -6.318 -0.084 1.00 52.25 N ATOM 0 H LYS A 79 6.932 -6.886 -2.890 1.00 32.43 H new ATOM 0 HA LYS A 79 7.308 -9.611 -3.422 1.00 63.33 H new ATOM 0 HB2 LYS A 79 7.373 -8.097 -0.751 1.00 24.23 H new ATOM 0 HB3 LYS A 79 8.094 -9.671 -1.022 1.00 24.23 H new ATOM 0 HG2 LYS A 79 9.743 -8.738 -2.555 1.00 52.24 H new ATOM 0 HG3 LYS A 79 8.939 -7.181 -2.562 1.00 52.24 H new ATOM 0 HD2 LYS A 79 9.474 -6.925 -0.101 1.00 42.33 H new ATOM 0 HD3 LYS A 79 10.334 -8.451 -0.148 1.00 42.33 H new ATOM 0 HE2 LYS A 79 11.939 -7.537 -1.800 1.00 34.14 H new ATOM 0 HE3 LYS A 79 11.047 -6.031 -1.872 1.00 34.14 H new ATOM 0 HZ1 LYS A 79 13.035 -5.942 -0.448 1.00 52.25 H new ATOM 0 HZ2 LYS A 79 11.609 -5.557 0.391 1.00 52.25 H new ATOM 0 HZ3 LYS A 79 12.330 -7.081 0.595 1.00 52.25 H new ATOM 1304 N LEU A 80 4.731 -8.945 -1.463 1.00 10.44 N ATOM 1305 CA LEU A 80 3.501 -9.440 -0.821 1.00 24.14 C ATOM 1306 C LEU A 80 2.410 -9.786 -1.861 1.00 73.23 C ATOM 1307 O LEU A 80 1.605 -10.686 -1.636 1.00 51.34 O ATOM 1308 CB LEU A 80 3.001 -8.375 0.186 1.00 72.13 C ATOM 1309 CG LEU A 80 4.056 -7.941 1.261 1.00 53.45 C ATOM 1310 CD1 LEU A 80 3.544 -6.779 2.132 1.00 72.23 C ATOM 1311 CD2 LEU A 80 4.505 -9.142 2.129 1.00 4.34 C ATOM 0 H LEU A 80 4.852 -7.936 -1.379 1.00 10.44 H new ATOM 0 HA LEU A 80 3.725 -10.366 -0.291 1.00 24.14 H new ATOM 0 HB2 LEU A 80 2.683 -7.492 -0.368 1.00 72.13 H new ATOM 0 HB3 LEU A 80 2.121 -8.764 0.698 1.00 72.13 H new ATOM 0 HG LEU A 80 4.931 -7.577 0.723 1.00 53.45 H new ATOM 0 HD11 LEU A 80 4.306 -6.510 2.864 1.00 72.23 H new ATOM 0 HD12 LEU A 80 3.328 -5.918 1.499 1.00 72.23 H new ATOM 0 HD13 LEU A 80 2.636 -7.086 2.650 1.00 72.23 H new ATOM 0 HD21 LEU A 80 5.237 -8.806 2.864 1.00 4.34 H new ATOM 0 HD22 LEU A 80 3.641 -9.563 2.643 1.00 4.34 H new ATOM 0 HD23 LEU A 80 4.954 -9.904 1.492 1.00 4.34 H new ATOM 1323 N LEU A 81 2.417 -9.063 -3.000 1.00 73.34 N ATOM 1324 CA LEU A 81 1.454 -9.262 -4.112 1.00 12.33 C ATOM 1325 C LEU A 81 1.708 -10.600 -4.846 1.00 61.23 C ATOM 1326 O LEU A 81 0.769 -11.247 -5.321 1.00 13.13 O ATOM 1327 CB LEU A 81 1.527 -8.069 -5.112 1.00 73.43 C ATOM 1328 CG LEU A 81 0.525 -8.105 -6.316 1.00 12.11 C ATOM 1329 CD1 LEU A 81 -0.939 -8.181 -5.826 1.00 71.14 C ATOM 1330 CD2 LEU A 81 0.736 -6.894 -7.259 1.00 21.34 C ATOM 0 H LEU A 81 3.093 -8.320 -3.179 1.00 73.34 H new ATOM 0 HA LEU A 81 0.452 -9.302 -3.684 1.00 12.33 H new ATOM 0 HB2 LEU A 81 1.359 -7.147 -4.556 1.00 73.43 H new ATOM 0 HB3 LEU A 81 2.540 -8.020 -5.512 1.00 73.43 H new ATOM 0 HG LEU A 81 0.730 -9.010 -6.887 1.00 12.11 H new ATOM 0 HD11 LEU A 81 -1.609 -8.205 -6.685 1.00 71.14 H new ATOM 0 HD12 LEU A 81 -1.078 -9.085 -5.233 1.00 71.14 H new ATOM 0 HD13 LEU A 81 -1.164 -7.307 -5.214 1.00 71.14 H new ATOM 0 HD21 LEU A 81 0.026 -6.947 -8.084 1.00 21.34 H new ATOM 0 HD22 LEU A 81 0.578 -5.969 -6.704 1.00 21.34 H new ATOM 0 HD23 LEU A 81 1.752 -6.912 -7.653 1.00 21.34 H new ATOM 1342 N LYS A 82 2.991 -10.997 -4.929 1.00 65.42 N ATOM 1343 CA LYS A 82 3.399 -12.305 -5.494 1.00 64.24 C ATOM 1344 C LYS A 82 2.809 -13.482 -4.682 1.00 30.21 C ATOM 1345 O LYS A 82 2.262 -14.434 -5.252 1.00 2.43 O ATOM 1346 CB LYS A 82 4.953 -12.400 -5.554 1.00 50.12 C ATOM 1347 CG LYS A 82 5.669 -11.384 -6.499 1.00 74.44 C ATOM 1348 CD LYS A 82 5.678 -11.791 -8.005 1.00 54.32 C ATOM 1349 CE LYS A 82 4.308 -11.717 -8.695 1.00 13.54 C ATOM 1350 NZ LYS A 82 4.366 -12.139 -10.118 1.00 31.53 N ATOM 0 H LYS A 82 3.774 -10.426 -4.609 1.00 65.42 H new ATOM 0 HA LYS A 82 3.001 -12.376 -6.506 1.00 64.24 H new ATOM 0 HB2 LYS A 82 5.344 -12.264 -4.546 1.00 50.12 H new ATOM 0 HB3 LYS A 82 5.223 -13.408 -5.867 1.00 50.12 H new ATOM 0 HG2 LYS A 82 5.183 -10.413 -6.402 1.00 74.44 H new ATOM 0 HG3 LYS A 82 6.699 -11.260 -6.164 1.00 74.44 H new ATOM 0 HD2 LYS A 82 6.374 -11.144 -8.539 1.00 54.32 H new ATOM 0 HD3 LYS A 82 6.059 -12.809 -8.091 1.00 54.32 H new ATOM 0 HE2 LYS A 82 3.600 -12.350 -8.160 1.00 13.54 H new ATOM 0 HE3 LYS A 82 3.930 -10.696 -8.637 1.00 13.54 H new ATOM 0 HZ1 LYS A 82 3.417 -12.071 -10.539 1.00 31.53 H new ATOM 0 HZ2 LYS A 82 5.020 -11.520 -10.637 1.00 31.53 H new ATOM 0 HZ3 LYS A 82 4.701 -13.122 -10.175 1.00 31.53 H new ATOM 1364 N LYS A 83 2.921 -13.388 -3.347 1.00 2.41 N ATOM 1365 CA LYS A 83 2.359 -14.394 -2.409 1.00 54.44 C ATOM 1366 C LYS A 83 0.806 -14.306 -2.342 1.00 5.54 C ATOM 1367 O LYS A 83 0.124 -15.310 -2.119 1.00 53.03 O ATOM 1368 CB LYS A 83 2.997 -14.212 -1.006 1.00 12.40 C ATOM 1369 CG LYS A 83 4.547 -14.174 -1.019 1.00 62.41 C ATOM 1370 CD LYS A 83 5.181 -14.167 0.395 1.00 61.40 C ATOM 1371 CE LYS A 83 4.936 -15.477 1.162 1.00 74.13 C ATOM 1372 NZ LYS A 83 5.699 -15.540 2.437 1.00 43.34 N ATOM 0 H LYS A 83 3.401 -12.618 -2.881 1.00 2.41 H new ATOM 0 HA LYS A 83 2.603 -15.390 -2.779 1.00 54.44 H new ATOM 0 HB2 LYS A 83 2.625 -13.287 -0.566 1.00 12.40 H new ATOM 0 HB3 LYS A 83 2.669 -15.027 -0.360 1.00 12.40 H new ATOM 0 HG2 LYS A 83 4.918 -15.038 -1.570 1.00 62.41 H new ATOM 0 HG3 LYS A 83 4.876 -13.286 -1.559 1.00 62.41 H new ATOM 0 HD2 LYS A 83 6.254 -13.998 0.307 1.00 61.40 H new ATOM 0 HD3 LYS A 83 4.773 -13.334 0.967 1.00 61.40 H new ATOM 0 HE2 LYS A 83 3.871 -15.577 1.374 1.00 74.13 H new ATOM 0 HE3 LYS A 83 5.216 -16.321 0.532 1.00 74.13 H new ATOM 0 HZ1 LYS A 83 5.500 -16.441 2.916 1.00 43.34 H new ATOM 0 HZ2 LYS A 83 6.717 -15.472 2.236 1.00 43.34 H new ATOM 0 HZ3 LYS A 83 5.414 -14.751 3.051 1.00 43.34 H new ATOM 1386 N ALA A 84 0.269 -13.077 -2.531 1.00 44.33 N ATOM 1387 CA ALA A 84 -1.197 -12.813 -2.580 1.00 14.34 C ATOM 1388 C ALA A 84 -1.821 -13.264 -3.922 1.00 53.10 C ATOM 1389 O ALA A 84 -3.046 -13.415 -4.027 1.00 61.45 O ATOM 1390 CB ALA A 84 -1.474 -11.320 -2.337 1.00 54.41 C ATOM 0 H ALA A 84 0.836 -12.238 -2.654 1.00 44.33 H new ATOM 0 HA ALA A 84 -1.665 -13.400 -1.789 1.00 14.34 H new ATOM 0 HB1 ALA A 84 -2.548 -11.138 -2.375 1.00 54.41 H new ATOM 0 HB2 ALA A 84 -1.092 -11.034 -1.357 1.00 54.41 H new ATOM 0 HB3 ALA A 84 -0.978 -10.728 -3.107 1.00 54.41 H new