USER MOD reduce.3.24.130724 H: found=0, std=0, add=487, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 488 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 24 ASN : amide:sc= -0.903 K(o=-0.9,f=-2.2!) USER MOD Set 1.2: A 62 GLN : amide:sc= 0 X(o=-0.9,f=-1.1) USER MOD Single : A 8 SER OG : rot -27:sc= 0.313 USER MOD Single : A 21 LYS NZ :NH3+ -150:sc= 0.436 (180deg=0.114) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -81:sc= 0.0144 USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 MET CE :methyl 173:sc= 0 (180deg=-0.0196) USER MOD Single : A 37 THR OG1 : rot 79:sc= 0.85 USER MOD Single : A 38 ASN : amide:sc= 0 X(o=0,f=-0.046) USER MOD Single : A 42 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0409) USER MOD Single : A 44 THR OG1 : rot -75:sc= 0.73 USER MOD Single : A 51 MET CE :methyl -165:sc= -0.031 (180deg=-0.311) USER MOD Single : A 64 ASN : amide:sc= -0.0378 X(o=-0.038,f=-0.33) USER MOD Single : A 65 TYR OH : rot -25:sc= 0.194 USER MOD Single : A 70 GLN : amide:sc= -0.111 X(o=-0.11,f=-0.34) USER MOD Single : A 71 HIS : no HD1:sc= -0.701 X(o=-0.7,f=-0.35) USER MOD Single : A 72 MET CE :methyl -125:sc= 0 (180deg=-0.0317) USER MOD Single : A 73 THR OG1 : rot -73:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 110 N SER A 8 0.336 17.699 0.249 1.00 0.00 N ATOM 111 CA SER A 8 -0.946 17.061 0.426 1.00 0.00 C ATOM 112 C SER A 8 -0.929 15.749 -0.349 1.00 0.00 C ATOM 113 O SER A 8 -0.359 14.781 0.124 1.00 0.00 O ATOM 114 CB SER A 8 -2.101 17.994 0.002 1.00 0.00 C ATOM 115 OG SER A 8 -1.852 18.617 -1.254 1.00 0.00 O ATOM 0 HA SER A 8 -1.122 16.845 1.480 1.00 0.00 H new ATOM 0 HB2 SER A 8 -3.027 17.421 -0.055 1.00 0.00 H new ATOM 0 HB3 SER A 8 -2.246 18.760 0.764 1.00 0.00 H new ATOM 0 HG SER A 8 -0.885 18.695 -1.394 1.00 0.00 H new ATOM 121 N GLU A 9 -1.453 15.759 -1.577 1.00 0.00 N ATOM 122 CA GLU A 9 -1.445 14.594 -2.467 1.00 0.00 C ATOM 123 C GLU A 9 -0.066 14.417 -3.114 1.00 0.00 C ATOM 124 O GLU A 9 0.325 13.315 -3.490 1.00 0.00 O ATOM 125 CB GLU A 9 -2.521 14.768 -3.542 1.00 0.00 C ATOM 126 CG GLU A 9 -3.900 15.055 -2.962 1.00 0.00 C ATOM 127 CD GLU A 9 -4.931 15.396 -4.018 1.00 0.00 C ATOM 128 OE1 GLU A 9 -4.941 16.552 -4.493 1.00 0.00 O ATOM 129 OE2 GLU A 9 -5.744 14.519 -4.366 1.00 0.00 O ATOM 0 H GLU A 9 -1.898 16.581 -1.985 1.00 0.00 H new ATOM 0 HA GLU A 9 -1.661 13.699 -1.883 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -2.235 15.584 -4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.569 13.864 -4.150 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -4.239 14.185 -2.400 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -3.825 15.882 -2.256 1.00 0.00 H new ATOM 136 N GLU A 10 0.666 15.537 -3.207 1.00 0.00 N ATOM 137 CA GLU A 10 2.026 15.580 -3.752 1.00 0.00 C ATOM 138 C GLU A 10 3.029 14.933 -2.788 1.00 0.00 C ATOM 139 O GLU A 10 4.072 14.425 -3.208 1.00 0.00 O ATOM 140 CB GLU A 10 2.419 17.034 -4.009 1.00 0.00 C ATOM 141 CG GLU A 10 1.440 17.778 -4.906 1.00 0.00 C ATOM 142 CD GLU A 10 1.612 19.279 -4.833 1.00 0.00 C ATOM 143 OE1 GLU A 10 0.963 19.912 -3.978 1.00 0.00 O ATOM 144 OE2 GLU A 10 2.380 19.827 -5.642 1.00 0.00 O ATOM 0 H GLU A 10 0.324 16.448 -2.901 1.00 0.00 H new ATOM 0 HA GLU A 10 2.045 15.018 -4.686 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.494 17.556 -3.055 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.409 17.059 -4.465 1.00 0.00 H new ATOM 0 HG2 GLU A 10 1.575 17.450 -5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 10 0.421 17.518 -4.620 1.00 0.00 H new ATOM 151 N GLU A 11 2.690 14.945 -1.494 1.00 0.00 N ATOM 152 CA GLU A 11 3.499 14.295 -0.468 1.00 0.00 C ATOM 153 C GLU A 11 3.167 12.795 -0.402 1.00 0.00 C ATOM 154 O GLU A 11 3.987 11.982 0.033 1.00 0.00 O ATOM 155 CB GLU A 11 3.251 14.949 0.886 1.00 0.00 C ATOM 156 CG GLU A 11 4.231 14.509 1.960 1.00 0.00 C ATOM 157 CD GLU A 11 3.872 15.011 3.338 1.00 0.00 C ATOM 158 OE1 GLU A 11 2.719 15.435 3.548 1.00 0.00 O ATOM 159 OE2 GLU A 11 4.751 14.980 4.217 1.00 0.00 O ATOM 0 H GLU A 11 1.853 15.403 -1.135 1.00 0.00 H new ATOM 0 HA GLU A 11 4.552 14.409 -0.726 1.00 0.00 H new ATOM 0 HB2 GLU A 11 3.309 16.032 0.774 1.00 0.00 H new ATOM 0 HB3 GLU A 11 2.237 14.716 1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 11 4.275 13.420 1.978 1.00 0.00 H new ATOM 0 HG3 GLU A 11 5.228 14.864 1.700 1.00 0.00 H new ATOM 166 N ILE A 12 1.963 12.429 -0.865 1.00 0.00 N ATOM 167 CA ILE A 12 1.540 11.025 -0.892 1.00 0.00 C ATOM 168 C ILE A 12 2.282 10.282 -2.015 1.00 0.00 C ATOM 169 O ILE A 12 2.438 9.077 -1.950 1.00 0.00 O ATOM 170 CB ILE A 12 -0.014 10.851 -1.040 1.00 0.00 C ATOM 171 CG1 ILE A 12 -0.801 11.737 -0.056 1.00 0.00 C ATOM 172 CG2 ILE A 12 -0.441 9.401 -0.831 1.00 0.00 C ATOM 173 CD1 ILE A 12 -0.348 11.677 1.399 1.00 0.00 C ATOM 0 H ILE A 12 1.269 13.084 -1.224 1.00 0.00 H new ATOM 0 HA ILE A 12 1.801 10.590 0.073 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.247 11.160 -2.059 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -0.735 12.771 -0.395 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -1.852 11.453 -0.102 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -1.522 9.321 -0.941 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.047 8.768 -1.572 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -0.153 9.078 0.169 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -0.970 12.339 2.001 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.442 10.655 1.767 1.00 0.00 H new ATOM 0 HD13 ILE A 12 0.693 11.994 1.469 1.00 0.00 H new ATOM 185 N ARG A 13 2.769 11.027 -3.027 1.00 0.00 N ATOM 186 CA ARG A 13 3.653 10.475 -4.074 1.00 0.00 C ATOM 187 C ARG A 13 4.955 9.927 -3.474 1.00 0.00 C ATOM 188 O ARG A 13 5.424 8.863 -3.864 1.00 0.00 O ATOM 189 CB ARG A 13 4.021 11.545 -5.105 1.00 0.00 C ATOM 190 CG ARG A 13 2.839 12.177 -5.817 1.00 0.00 C ATOM 191 CD ARG A 13 3.290 13.167 -6.878 1.00 0.00 C ATOM 192 NE ARG A 13 4.112 14.250 -6.321 1.00 0.00 N ATOM 193 CZ ARG A 13 4.720 15.192 -7.049 1.00 0.00 C ATOM 194 NH1 ARG A 13 4.627 15.194 -8.376 1.00 0.00 N ATOM 195 NH2 ARG A 13 5.444 16.124 -6.446 1.00 0.00 N ATOM 0 H ARG A 13 2.563 12.019 -3.142 1.00 0.00 H new ATOM 0 HA ARG A 13 3.100 9.668 -4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.589 12.330 -4.606 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.680 11.100 -5.850 1.00 0.00 H new ATOM 0 HG2 ARG A 13 2.233 11.398 -6.279 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.205 12.685 -5.090 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.859 12.640 -7.644 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.415 13.594 -7.368 1.00 0.00 H new ATOM 0 HE ARG A 13 4.227 14.286 -5.308 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.087 14.471 -8.850 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.096 15.919 -8.919 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.536 16.121 -5.430 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.910 16.845 -6.998 1.00 0.00 H new ATOM 209 N GLU A 14 5.508 10.678 -2.514 1.00 0.00 N ATOM 210 CA GLU A 14 6.737 10.320 -1.797 1.00 0.00 C ATOM 211 C GLU A 14 6.528 9.064 -0.930 1.00 0.00 C ATOM 212 O GLU A 14 7.383 8.174 -0.894 1.00 0.00 O ATOM 213 CB GLU A 14 7.151 11.544 -0.950 1.00 0.00 C ATOM 214 CG GLU A 14 8.264 11.329 0.070 1.00 0.00 C ATOM 215 CD GLU A 14 9.577 10.867 -0.527 1.00 0.00 C ATOM 216 OE1 GLU A 14 10.066 11.494 -1.489 1.00 0.00 O ATOM 217 OE2 GLU A 14 10.125 9.870 -0.028 1.00 0.00 O ATOM 0 H GLU A 14 5.108 11.565 -2.209 1.00 0.00 H new ATOM 0 HA GLU A 14 7.533 10.071 -2.499 1.00 0.00 H new ATOM 0 HB2 GLU A 14 7.461 12.338 -1.629 1.00 0.00 H new ATOM 0 HB3 GLU A 14 6.269 11.904 -0.420 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.432 12.261 0.609 1.00 0.00 H new ATOM 0 HG3 GLU A 14 7.932 10.593 0.802 1.00 0.00 H new ATOM 224 N ALA A 15 5.373 8.989 -0.267 1.00 0.00 N ATOM 225 CA ALA A 15 5.020 7.834 0.558 1.00 0.00 C ATOM 226 C ALA A 15 4.701 6.607 -0.304 1.00 0.00 C ATOM 227 O ALA A 15 4.992 5.485 0.077 1.00 0.00 O ATOM 228 CB ALA A 15 3.837 8.177 1.451 1.00 0.00 C ATOM 0 H ALA A 15 4.662 9.720 -0.286 1.00 0.00 H new ATOM 0 HA ALA A 15 5.879 7.586 1.181 1.00 0.00 H new ATOM 0 HB1 ALA A 15 3.580 7.312 2.062 1.00 0.00 H new ATOM 0 HB2 ALA A 15 4.100 9.014 2.098 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.982 8.451 0.833 1.00 0.00 H new ATOM 234 N PHE A 16 4.142 6.845 -1.486 1.00 0.00 N ATOM 235 CA PHE A 16 3.733 5.784 -2.398 1.00 0.00 C ATOM 236 C PHE A 16 4.951 5.091 -3.023 1.00 0.00 C ATOM 237 O PHE A 16 4.977 3.866 -3.139 1.00 0.00 O ATOM 238 CB PHE A 16 2.831 6.362 -3.502 1.00 0.00 C ATOM 239 CG PHE A 16 2.241 5.330 -4.410 1.00 0.00 C ATOM 240 CD1 PHE A 16 1.224 4.516 -3.966 1.00 0.00 C ATOM 241 CD2 PHE A 16 2.721 5.156 -5.697 1.00 0.00 C ATOM 242 CE1 PHE A 16 0.692 3.552 -4.779 1.00 0.00 C ATOM 243 CE2 PHE A 16 2.186 4.190 -6.519 1.00 0.00 C ATOM 244 CZ PHE A 16 1.175 3.384 -6.056 1.00 0.00 C ATOM 0 H PHE A 16 3.959 7.784 -1.839 1.00 0.00 H new ATOM 0 HA PHE A 16 3.176 5.040 -1.828 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.023 6.927 -3.038 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.411 7.067 -4.098 1.00 0.00 H new ATOM 0 HD1 PHE A 16 0.841 4.639 -2.964 1.00 0.00 H new ATOM 0 HD2 PHE A 16 3.522 5.783 -6.059 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -0.108 2.923 -4.418 1.00 0.00 H new ATOM 0 HE2 PHE A 16 2.560 4.066 -7.525 1.00 0.00 H new ATOM 0 HZ PHE A 16 0.759 2.618 -6.694 1.00 0.00 H new ATOM 254 N ARG A 17 5.960 5.887 -3.399 1.00 0.00 N ATOM 255 CA ARG A 17 7.139 5.373 -4.096 1.00 0.00 C ATOM 256 C ARG A 17 8.071 4.604 -3.153 1.00 0.00 C ATOM 257 O ARG A 17 8.828 3.741 -3.595 1.00 0.00 O ATOM 258 CB ARG A 17 7.881 6.519 -4.838 1.00 0.00 C ATOM 259 CG ARG A 17 8.527 7.602 -3.964 1.00 0.00 C ATOM 260 CD ARG A 17 10.003 7.326 -3.696 1.00 0.00 C ATOM 261 NE ARG A 17 10.641 8.394 -2.929 1.00 0.00 N ATOM 262 CZ ARG A 17 11.910 8.375 -2.514 1.00 0.00 C ATOM 263 NH1 ARG A 17 12.665 7.285 -2.649 1.00 0.00 N ATOM 264 NH2 ARG A 17 12.418 9.445 -1.925 1.00 0.00 N ATOM 0 H ARG A 17 5.980 6.893 -3.230 1.00 0.00 H new ATOM 0 HA ARG A 17 6.798 4.658 -4.844 1.00 0.00 H new ATOM 0 HB2 ARG A 17 8.659 6.074 -5.459 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.173 7.003 -5.511 1.00 0.00 H new ATOM 0 HG2 ARG A 17 8.424 8.570 -4.454 1.00 0.00 H new ATOM 0 HG3 ARG A 17 7.994 7.666 -3.016 1.00 0.00 H new ATOM 0 HD2 ARG A 17 10.101 6.385 -3.154 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.525 7.203 -4.645 1.00 0.00 H new ATOM 0 HE ARG A 17 10.077 9.211 -2.694 1.00 0.00 H new ATOM 0 HH11 ARG A 17 12.276 6.445 -3.076 1.00 0.00 H new ATOM 0 HH12 ARG A 17 13.632 7.291 -2.325 1.00 0.00 H new ATOM 0 HH21 ARG A 17 11.841 10.276 -1.791 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.386 9.439 -1.605 1.00 0.00 H new ATOM 278 N VAL A 18 8.013 4.913 -1.855 1.00 0.00 N ATOM 279 CA VAL A 18 8.866 4.249 -0.881 1.00 0.00 C ATOM 280 C VAL A 18 8.192 2.960 -0.351 1.00 0.00 C ATOM 281 O VAL A 18 8.866 2.057 0.143 1.00 0.00 O ATOM 282 CB VAL A 18 9.282 5.226 0.267 1.00 0.00 C ATOM 283 CG1 VAL A 18 8.201 5.424 1.327 1.00 0.00 C ATOM 284 CG2 VAL A 18 10.595 4.788 0.899 1.00 0.00 C ATOM 0 H VAL A 18 7.387 5.615 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 18 9.788 3.946 -1.378 1.00 0.00 H new ATOM 0 HB VAL A 18 9.420 6.201 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 18 8.562 6.114 2.090 1.00 0.00 H new ATOM 0 HG12 VAL A 18 7.305 5.834 0.861 1.00 0.00 H new ATOM 0 HG13 VAL A 18 7.963 4.465 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 18 10.865 5.482 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 18 10.483 3.786 1.314 1.00 0.00 H new ATOM 0 HG23 VAL A 18 11.379 4.782 0.142 1.00 0.00 H new ATOM 294 N PHE A 19 6.866 2.872 -0.502 1.00 0.00 N ATOM 295 CA PHE A 19 6.113 1.682 -0.112 1.00 0.00 C ATOM 296 C PHE A 19 6.084 0.642 -1.238 1.00 0.00 C ATOM 297 O PHE A 19 6.111 -0.559 -0.970 1.00 0.00 O ATOM 298 CB PHE A 19 4.691 2.063 0.310 1.00 0.00 C ATOM 299 CG PHE A 19 4.520 2.280 1.793 1.00 0.00 C ATOM 300 CD1 PHE A 19 4.860 3.485 2.387 1.00 0.00 C ATOM 301 CD2 PHE A 19 4.000 1.277 2.590 1.00 0.00 C ATOM 302 CE1 PHE A 19 4.688 3.685 3.742 1.00 0.00 C ATOM 303 CE2 PHE A 19 3.829 1.471 3.948 1.00 0.00 C ATOM 304 CZ PHE A 19 4.171 2.676 4.524 1.00 0.00 C ATOM 0 H PHE A 19 6.292 3.618 -0.895 1.00 0.00 H new ATOM 0 HA PHE A 19 6.620 1.230 0.740 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.401 2.973 -0.214 1.00 0.00 H new ATOM 0 HB3 PHE A 19 4.007 1.278 -0.012 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.266 4.281 1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.724 0.332 2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.958 4.631 4.188 1.00 0.00 H new ATOM 0 HE2 PHE A 19 3.427 0.677 4.559 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.034 2.828 5.584 1.00 0.00 H new ATOM 314 N ASP A 20 6.033 1.109 -2.493 1.00 0.00 N ATOM 315 CA ASP A 20 6.136 0.213 -3.645 1.00 0.00 C ATOM 316 C ASP A 20 7.601 -0.123 -3.889 1.00 0.00 C ATOM 317 O ASP A 20 8.371 0.708 -4.374 1.00 0.00 O ATOM 318 CB ASP A 20 5.517 0.828 -4.917 1.00 0.00 C ATOM 319 CG ASP A 20 5.359 -0.177 -6.066 1.00 0.00 C ATOM 320 OD1 ASP A 20 6.119 -1.148 -6.158 1.00 0.00 O ATOM 321 OD2 ASP A 20 4.459 -0.021 -6.888 1.00 0.00 O ATOM 0 H ASP A 20 5.922 2.094 -2.732 1.00 0.00 H new ATOM 0 HA ASP A 20 5.574 -0.693 -3.419 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.540 1.244 -4.672 1.00 0.00 H new ATOM 0 HB3 ASP A 20 6.142 1.656 -5.252 1.00 0.00 H new ATOM 326 N LYS A 21 7.966 -1.348 -3.546 1.00 0.00 N ATOM 327 CA LYS A 21 9.341 -1.822 -3.669 1.00 0.00 C ATOM 328 C LYS A 21 9.743 -2.205 -5.094 1.00 0.00 C ATOM 329 O LYS A 21 10.916 -2.104 -5.450 1.00 0.00 O ATOM 330 CB LYS A 21 9.578 -2.986 -2.710 1.00 0.00 C ATOM 331 CG LYS A 21 9.555 -2.569 -1.241 1.00 0.00 C ATOM 332 CD LYS A 21 10.528 -1.421 -0.986 1.00 0.00 C ATOM 333 CE LYS A 21 10.538 -0.967 0.455 1.00 0.00 C ATOM 334 NZ LYS A 21 11.288 0.306 0.605 1.00 0.00 N ATOM 0 H LYS A 21 7.320 -2.044 -3.174 1.00 0.00 H new ATOM 0 HA LYS A 21 9.981 -0.981 -3.401 1.00 0.00 H new ATOM 0 HB2 LYS A 21 8.816 -3.747 -2.877 1.00 0.00 H new ATOM 0 HB3 LYS A 21 10.541 -3.444 -2.936 1.00 0.00 H new ATOM 0 HG2 LYS A 21 8.546 -2.265 -0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 21 9.818 -3.420 -0.613 1.00 0.00 H new ATOM 0 HD2 LYS A 21 11.533 -1.733 -1.270 1.00 0.00 H new ATOM 0 HD3 LYS A 21 10.263 -0.579 -1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 21 9.515 -0.834 0.806 1.00 0.00 H new ATOM 0 HE3 LYS A 21 10.991 -1.737 1.080 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 11.719 0.346 1.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 12.034 0.356 -0.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.637 1.108 0.487 1.00 0.00 H new ATOM 348 N ASP A 22 8.783 -2.631 -5.905 1.00 0.00 N ATOM 349 CA ASP A 22 9.077 -3.137 -7.252 1.00 0.00 C ATOM 350 C ASP A 22 8.896 -2.075 -8.350 1.00 0.00 C ATOM 351 O ASP A 22 9.324 -2.282 -9.487 1.00 0.00 O ATOM 352 CB ASP A 22 8.203 -4.362 -7.565 1.00 0.00 C ATOM 353 CG ASP A 22 6.729 -4.130 -7.308 1.00 0.00 C ATOM 354 OD1 ASP A 22 6.081 -3.380 -8.043 1.00 0.00 O ATOM 355 OD2 ASP A 22 6.207 -4.671 -6.345 1.00 0.00 O ATOM 0 H ASP A 22 7.793 -2.639 -5.660 1.00 0.00 H new ATOM 0 HA ASP A 22 10.130 -3.420 -7.252 1.00 0.00 H new ATOM 0 HB2 ASP A 22 8.343 -4.642 -8.609 1.00 0.00 H new ATOM 0 HB3 ASP A 22 8.541 -5.204 -6.962 1.00 0.00 H new ATOM 360 N GLY A 23 8.286 -0.946 -7.986 1.00 0.00 N ATOM 361 CA GLY A 23 8.098 0.174 -8.904 1.00 0.00 C ATOM 362 C GLY A 23 7.143 -0.103 -10.066 1.00 0.00 C ATOM 363 O GLY A 23 7.467 0.215 -11.212 1.00 0.00 O ATOM 0 H GLY A 23 7.911 -0.784 -7.051 1.00 0.00 H new ATOM 0 HA2 GLY A 23 7.724 1.029 -8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.068 0.460 -9.310 1.00 0.00 H new ATOM 367 N ASN A 24 5.969 -0.694 -9.798 1.00 0.00 N ATOM 368 CA ASN A 24 4.982 -0.929 -10.866 1.00 0.00 C ATOM 369 C ASN A 24 3.829 0.088 -10.807 1.00 0.00 C ATOM 370 O ASN A 24 3.030 0.190 -11.744 1.00 0.00 O ATOM 371 CB ASN A 24 4.428 -2.381 -10.851 1.00 0.00 C ATOM 372 CG ASN A 24 3.469 -2.713 -9.703 1.00 0.00 C ATOM 373 OD1 ASN A 24 3.605 -2.230 -8.581 1.00 0.00 O ATOM 374 ND2 ASN A 24 2.493 -3.562 -9.979 1.00 0.00 N ATOM 0 H ASN A 24 5.682 -1.012 -8.872 1.00 0.00 H new ATOM 0 HA ASN A 24 5.513 -0.790 -11.808 1.00 0.00 H new ATOM 0 HB2 ASN A 24 3.914 -2.564 -11.794 1.00 0.00 H new ATOM 0 HB3 ASN A 24 5.270 -3.072 -10.808 1.00 0.00 H new ATOM 0 HD21 ASN A 24 1.830 -3.831 -9.252 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.403 -3.948 -10.919 1.00 0.00 H new ATOM 381 N GLY A 25 3.756 0.837 -9.705 1.00 0.00 N ATOM 382 CA GLY A 25 2.698 1.817 -9.524 1.00 0.00 C ATOM 383 C GLY A 25 1.506 1.248 -8.776 1.00 0.00 C ATOM 384 O GLY A 25 0.401 1.764 -8.889 1.00 0.00 O ATOM 0 H GLY A 25 4.417 0.780 -8.930 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.090 2.675 -8.978 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.372 2.181 -10.499 1.00 0.00 H new ATOM 388 N TYR A 26 1.755 0.192 -8.005 1.00 0.00 N ATOM 389 CA TYR A 26 0.730 -0.536 -7.252 1.00 0.00 C ATOM 390 C TYR A 26 1.340 -1.101 -5.975 1.00 0.00 C ATOM 391 O TYR A 26 2.375 -1.747 -6.040 1.00 0.00 O ATOM 392 CB TYR A 26 0.197 -1.732 -8.059 1.00 0.00 C ATOM 393 CG TYR A 26 -0.752 -1.407 -9.188 1.00 0.00 C ATOM 394 CD1 TYR A 26 -2.110 -1.330 -8.957 1.00 0.00 C ATOM 395 CD2 TYR A 26 -0.290 -1.194 -10.482 1.00 0.00 C ATOM 396 CE1 TYR A 26 -2.988 -1.046 -9.975 1.00 0.00 C ATOM 397 CE2 TYR A 26 -1.164 -0.905 -11.506 1.00 0.00 C ATOM 398 CZ TYR A 26 -2.515 -0.831 -11.247 1.00 0.00 C ATOM 399 OH TYR A 26 -3.395 -0.529 -12.263 1.00 0.00 O ATOM 0 H TYR A 26 2.692 -0.191 -7.882 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.078 0.163 -7.037 1.00 0.00 H new ATOM 0 HB2 TYR A 26 1.048 -2.273 -8.472 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -0.308 -2.411 -7.372 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -2.489 -1.496 -7.959 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.769 -1.256 -10.687 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -4.048 -0.992 -9.776 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -0.793 -0.737 -12.506 1.00 0.00 H new ATOM 0 HH TYR A 26 -2.899 -0.406 -13.099 1.00 0.00 H new ATOM 409 N ILE A 27 0.713 -0.891 -4.829 1.00 0.00 N ATOM 410 CA ILE A 27 1.160 -1.526 -3.587 1.00 0.00 C ATOM 411 C ILE A 27 0.261 -2.720 -3.288 1.00 0.00 C ATOM 412 O ILE A 27 -0.875 -2.555 -2.848 1.00 0.00 O ATOM 413 CB ILE A 27 1.150 -0.556 -2.370 1.00 0.00 C ATOM 414 CG1 ILE A 27 1.940 0.721 -2.683 1.00 0.00 C ATOM 415 CG2 ILE A 27 1.738 -1.241 -1.128 1.00 0.00 C ATOM 416 CD1 ILE A 27 1.751 1.820 -1.658 1.00 0.00 C ATOM 0 H ILE A 27 -0.104 -0.289 -4.727 1.00 0.00 H new ATOM 0 HA ILE A 27 2.193 -1.839 -3.736 1.00 0.00 H new ATOM 0 HB ILE A 27 0.114 -0.285 -2.167 1.00 0.00 H new ATOM 0 HG12 ILE A 27 3.000 0.475 -2.748 1.00 0.00 H new ATOM 0 HG13 ILE A 27 1.638 1.094 -3.662 1.00 0.00 H new ATOM 0 HG21 ILE A 27 1.722 -0.547 -0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.144 -2.121 -0.882 1.00 0.00 H new ATOM 0 HG23 ILE A 27 2.766 -1.542 -1.331 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.340 2.691 -1.946 1.00 0.00 H new ATOM 0 HD12 ILE A 27 0.697 2.094 -1.609 1.00 0.00 H new ATOM 0 HD13 ILE A 27 2.080 1.467 -0.681 1.00 0.00 H new ATOM 428 N SER A 28 0.763 -3.919 -3.552 1.00 0.00 N ATOM 429 CA SER A 28 0.010 -5.137 -3.274 1.00 0.00 C ATOM 430 C SER A 28 0.139 -5.529 -1.798 1.00 0.00 C ATOM 431 O SER A 28 0.861 -4.879 -1.030 1.00 0.00 O ATOM 432 CB SER A 28 0.486 -6.278 -4.185 1.00 0.00 C ATOM 433 OG SER A 28 1.869 -6.529 -4.021 1.00 0.00 O ATOM 0 H SER A 28 1.686 -4.075 -3.957 1.00 0.00 H new ATOM 0 HA SER A 28 -1.043 -4.948 -3.481 1.00 0.00 H new ATOM 0 HB2 SER A 28 -0.078 -7.183 -3.961 1.00 0.00 H new ATOM 0 HB3 SER A 28 0.282 -6.024 -5.225 1.00 0.00 H new ATOM 0 HG SER A 28 2.384 -5.878 -4.543 1.00 0.00 H new ATOM 439 N ALA A 29 -0.551 -6.601 -1.410 1.00 0.00 N ATOM 440 CA ALA A 29 -0.511 -7.093 -0.036 1.00 0.00 C ATOM 441 C ALA A 29 0.844 -7.712 0.303 1.00 0.00 C ATOM 442 O ALA A 29 1.270 -7.675 1.445 1.00 0.00 O ATOM 443 CB ALA A 29 -1.643 -8.083 0.208 1.00 0.00 C ATOM 0 H ALA A 29 -1.147 -7.147 -2.032 1.00 0.00 H new ATOM 0 HA ALA A 29 -0.649 -6.240 0.628 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -1.599 -8.440 1.237 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -2.600 -7.591 0.036 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -1.541 -8.927 -0.474 1.00 0.00 H new ATOM 449 N ALA A 30 1.543 -8.234 -0.707 1.00 0.00 N ATOM 450 CA ALA A 30 2.883 -8.786 -0.517 1.00 0.00 C ATOM 451 C ALA A 30 3.912 -7.676 -0.295 1.00 0.00 C ATOM 452 O ALA A 30 4.899 -7.869 0.413 1.00 0.00 O ATOM 453 CB ALA A 30 3.272 -9.643 -1.709 1.00 0.00 C ATOM 0 H ALA A 30 1.201 -8.285 -1.667 1.00 0.00 H new ATOM 0 HA ALA A 30 2.869 -9.411 0.376 1.00 0.00 H new ATOM 0 HB1 ALA A 30 4.272 -10.048 -1.555 1.00 0.00 H new ATOM 0 HB2 ALA A 30 2.561 -10.462 -1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 30 3.262 -9.034 -2.613 1.00 0.00 H new ATOM 459 N GLU A 31 3.651 -6.508 -0.885 1.00 0.00 N ATOM 460 CA GLU A 31 4.537 -5.353 -0.772 1.00 0.00 C ATOM 461 C GLU A 31 4.422 -4.681 0.587 1.00 0.00 C ATOM 462 O GLU A 31 5.435 -4.376 1.202 1.00 0.00 O ATOM 463 CB GLU A 31 4.226 -4.345 -1.861 1.00 0.00 C ATOM 464 CG GLU A 31 4.565 -4.840 -3.246 1.00 0.00 C ATOM 465 CD GLU A 31 4.151 -3.865 -4.312 1.00 0.00 C ATOM 466 OE1 GLU A 31 4.582 -2.714 -4.264 1.00 0.00 O ATOM 467 OE2 GLU A 31 3.444 -4.258 -5.262 1.00 0.00 O ATOM 0 H GLU A 31 2.821 -6.339 -1.453 1.00 0.00 H new ATOM 0 HA GLU A 31 5.558 -5.716 -0.885 1.00 0.00 H new ATOM 0 HB2 GLU A 31 3.166 -4.093 -1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.779 -3.426 -1.665 1.00 0.00 H new ATOM 0 HG2 GLU A 31 5.638 -5.017 -3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.072 -5.797 -3.419 1.00 0.00 H new ATOM 474 N LEU A 32 3.183 -4.474 1.057 1.00 0.00 N ATOM 475 CA LEU A 32 2.938 -3.863 2.365 1.00 0.00 C ATOM 476 C LEU A 32 3.401 -4.792 3.496 1.00 0.00 C ATOM 477 O LEU A 32 3.886 -4.330 4.519 1.00 0.00 O ATOM 478 CB LEU A 32 1.451 -3.515 2.525 1.00 0.00 C ATOM 479 CG LEU A 32 1.074 -2.792 3.832 1.00 0.00 C ATOM 480 CD1 LEU A 32 1.695 -1.410 3.888 1.00 0.00 C ATOM 481 CD2 LEU A 32 -0.432 -2.694 3.991 1.00 0.00 C ATOM 0 H LEU A 32 2.335 -4.723 0.547 1.00 0.00 H new ATOM 0 HA LEU A 32 3.517 -2.941 2.426 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.150 -2.889 1.685 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.872 -4.436 2.460 1.00 0.00 H new ATOM 0 HG LEU A 32 1.469 -3.384 4.658 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.413 -0.922 4.821 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.780 -1.497 3.838 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.339 -0.817 3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -0.667 -2.179 4.923 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -0.851 -2.137 3.153 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -0.862 -3.696 4.012 1.00 0.00 H new ATOM 493 N ARG A 33 3.286 -6.107 3.268 1.00 0.00 N ATOM 494 CA ARG A 33 3.756 -7.126 4.212 1.00 0.00 C ATOM 495 C ARG A 33 5.286 -7.086 4.333 1.00 0.00 C ATOM 496 O ARG A 33 5.834 -7.256 5.421 1.00 0.00 O ATOM 497 CB ARG A 33 3.276 -8.509 3.746 1.00 0.00 C ATOM 498 CG ARG A 33 3.571 -9.645 4.704 1.00 0.00 C ATOM 499 CD ARG A 33 3.098 -10.979 4.149 1.00 0.00 C ATOM 500 NE ARG A 33 3.701 -12.106 4.870 1.00 0.00 N ATOM 501 CZ ARG A 33 3.513 -13.395 4.579 1.00 0.00 C ATOM 502 NH1 ARG A 33 2.636 -13.771 3.656 1.00 0.00 N ATOM 503 NH2 ARG A 33 4.188 -14.313 5.255 1.00 0.00 N ATOM 0 H ARG A 33 2.864 -6.493 2.423 1.00 0.00 H new ATOM 0 HA ARG A 33 3.342 -6.922 5.200 1.00 0.00 H new ATOM 0 HB2 ARG A 33 2.200 -8.466 3.578 1.00 0.00 H new ATOM 0 HB3 ARG A 33 3.740 -8.734 2.786 1.00 0.00 H new ATOM 0 HG2 ARG A 33 4.643 -9.690 4.898 1.00 0.00 H new ATOM 0 HG3 ARG A 33 3.082 -9.453 5.659 1.00 0.00 H new ATOM 0 HD2 ARG A 33 2.012 -11.039 4.220 1.00 0.00 H new ATOM 0 HD3 ARG A 33 3.352 -11.045 3.091 1.00 0.00 H new ATOM 0 HE ARG A 33 4.313 -11.887 5.656 1.00 0.00 H new ATOM 0 HH11 ARG A 33 2.091 -13.070 3.155 1.00 0.00 H new ATOM 0 HH12 ARG A 33 2.507 -14.761 3.448 1.00 0.00 H new ATOM 0 HH21 ARG A 33 4.841 -14.031 5.986 1.00 0.00 H new ATOM 0 HH22 ARG A 33 4.055 -15.302 5.044 1.00 0.00 H new ATOM 517 N HIS A 34 5.959 -6.807 3.211 1.00 0.00 N ATOM 518 CA HIS A 34 7.416 -6.714 3.176 1.00 0.00 C ATOM 519 C HIS A 34 7.893 -5.434 3.883 1.00 0.00 C ATOM 520 O HIS A 34 8.882 -5.468 4.597 1.00 0.00 O ATOM 521 CB HIS A 34 7.913 -6.741 1.719 1.00 0.00 C ATOM 522 CG HIS A 34 9.317 -7.254 1.554 1.00 0.00 C ATOM 523 ND1 HIS A 34 9.599 -8.483 1.002 1.00 0.00 N ATOM 524 CD2 HIS A 34 10.517 -6.696 1.850 1.00 0.00 C ATOM 525 CE1 HIS A 34 10.906 -8.667 0.983 1.00 0.00 C ATOM 526 NE2 HIS A 34 11.484 -7.596 1.487 1.00 0.00 N ATOM 0 H HIS A 34 5.510 -6.641 2.310 1.00 0.00 H new ATOM 0 HA HIS A 34 7.833 -7.572 3.704 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.240 -7.363 1.129 1.00 0.00 H new ATOM 0 HB3 HIS A 34 7.857 -5.733 1.309 1.00 0.00 H new ATOM 0 HD2 HIS A 34 10.680 -5.723 2.290 1.00 0.00 H new ATOM 0 HE1 HIS A 34 11.415 -9.546 0.617 1.00 0.00 H new ATOM 0 HE2 HIS A 34 12.489 -7.459 1.590 1.00 0.00 H new ATOM 535 N VAL A 35 7.163 -4.325 3.693 1.00 0.00 N ATOM 536 CA VAL A 35 7.503 -3.036 4.320 1.00 0.00 C ATOM 537 C VAL A 35 7.296 -3.092 5.845 1.00 0.00 C ATOM 538 O VAL A 35 8.087 -2.540 6.597 1.00 0.00 O ATOM 539 CB VAL A 35 6.688 -1.858 3.692 1.00 0.00 C ATOM 540 CG1 VAL A 35 6.962 -0.525 4.385 1.00 0.00 C ATOM 541 CG2 VAL A 35 6.999 -1.718 2.212 1.00 0.00 C ATOM 0 H VAL A 35 6.329 -4.294 3.107 1.00 0.00 H new ATOM 0 HA VAL A 35 8.559 -2.848 4.126 1.00 0.00 H new ATOM 0 HB VAL A 35 5.635 -2.104 3.831 1.00 0.00 H new ATOM 0 HG11 VAL A 35 6.372 0.259 3.911 1.00 0.00 H new ATOM 0 HG12 VAL A 35 6.689 -0.599 5.438 1.00 0.00 H new ATOM 0 HG13 VAL A 35 8.021 -0.283 4.302 1.00 0.00 H new ATOM 0 HG21 VAL A 35 6.421 -0.893 1.795 1.00 0.00 H new ATOM 0 HG22 VAL A 35 8.063 -1.519 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 35 6.736 -2.642 1.696 1.00 0.00 H new ATOM 551 N MET A 36 6.261 -3.807 6.290 1.00 0.00 N ATOM 552 CA MET A 36 5.978 -3.960 7.722 1.00 0.00 C ATOM 553 C MET A 36 7.031 -4.806 8.426 1.00 0.00 C ATOM 554 O MET A 36 7.458 -4.474 9.524 1.00 0.00 O ATOM 555 CB MET A 36 4.600 -4.569 7.938 1.00 0.00 C ATOM 556 CG MET A 36 3.468 -3.610 7.624 1.00 0.00 C ATOM 557 SD MET A 36 3.492 -2.145 8.667 1.00 0.00 S ATOM 558 CE MET A 36 2.143 -1.220 7.948 1.00 0.00 C ATOM 0 H MET A 36 5.603 -4.291 5.679 1.00 0.00 H new ATOM 0 HA MET A 36 6.003 -2.961 8.158 1.00 0.00 H new ATOM 0 HB2 MET A 36 4.500 -5.456 7.313 1.00 0.00 H new ATOM 0 HB3 MET A 36 4.513 -4.897 8.974 1.00 0.00 H new ATOM 0 HG2 MET A 36 3.532 -3.308 6.579 1.00 0.00 H new ATOM 0 HG3 MET A 36 2.515 -4.125 7.749 1.00 0.00 H new ATOM 0 HE1 MET A 36 1.942 -0.338 8.556 1.00 0.00 H new ATOM 0 HE2 MET A 36 2.412 -0.911 6.938 1.00 0.00 H new ATOM 0 HE3 MET A 36 1.252 -1.846 7.911 1.00 0.00 H new ATOM 568 N THR A 37 7.464 -5.881 7.776 1.00 0.00 N ATOM 569 CA THR A 37 8.528 -6.750 8.301 1.00 0.00 C ATOM 570 C THR A 37 9.871 -5.990 8.353 1.00 0.00 C ATOM 571 O THR A 37 10.648 -6.139 9.300 1.00 0.00 O ATOM 572 CB THR A 37 8.655 -8.026 7.432 1.00 0.00 C ATOM 573 OG1 THR A 37 7.382 -8.679 7.366 1.00 0.00 O ATOM 574 CG2 THR A 37 9.684 -9.007 7.980 1.00 0.00 C ATOM 0 H THR A 37 7.094 -6.179 6.874 1.00 0.00 H new ATOM 0 HA THR A 37 8.266 -7.048 9.316 1.00 0.00 H new ATOM 0 HB THR A 37 8.989 -7.714 6.443 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.814 -8.223 6.710 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.732 -9.883 7.333 1.00 0.00 H new ATOM 0 HG22 THR A 37 10.662 -8.527 8.015 1.00 0.00 H new ATOM 0 HG23 THR A 37 9.395 -9.314 8.985 1.00 0.00 H new ATOM 582 N ASN A 38 10.086 -5.141 7.344 1.00 0.00 N ATOM 583 CA ASN A 38 11.273 -4.284 7.224 1.00 0.00 C ATOM 584 C ASN A 38 11.359 -3.262 8.360 1.00 0.00 C ATOM 585 O ASN A 38 12.420 -3.070 8.953 1.00 0.00 O ATOM 586 CB ASN A 38 11.201 -3.548 5.882 1.00 0.00 C ATOM 587 CG ASN A 38 12.364 -2.615 5.606 1.00 0.00 C ATOM 588 OD1 ASN A 38 13.511 -2.890 5.943 1.00 0.00 O ATOM 589 ND2 ASN A 38 12.053 -1.479 5.013 1.00 0.00 N ATOM 0 H ASN A 38 9.429 -5.027 6.572 1.00 0.00 H new ATOM 0 HA ASN A 38 12.162 -4.912 7.282 1.00 0.00 H new ATOM 0 HB2 ASN A 38 11.147 -4.286 5.081 1.00 0.00 H new ATOM 0 HB3 ASN A 38 10.276 -2.973 5.848 1.00 0.00 H new ATOM 0 HD21 ASN A 38 12.779 -0.790 4.818 1.00 0.00 H new ATOM 0 HD22 ASN A 38 11.086 -1.290 4.749 1.00 0.00 H new ATOM 596 N LEU A 39 10.225 -2.635 8.662 1.00 0.00 N ATOM 597 CA LEU A 39 10.134 -1.580 9.671 1.00 0.00 C ATOM 598 C LEU A 39 10.150 -2.132 11.105 1.00 0.00 C ATOM 599 O LEU A 39 10.151 -1.365 12.066 1.00 0.00 O ATOM 600 CB LEU A 39 8.852 -0.765 9.432 1.00 0.00 C ATOM 601 CG LEU A 39 8.974 0.520 8.586 1.00 0.00 C ATOM 602 CD1 LEU A 39 9.648 1.623 9.387 1.00 0.00 C ATOM 603 CD2 LEU A 39 9.725 0.300 7.277 1.00 0.00 C ATOM 0 H LEU A 39 9.335 -2.846 8.210 1.00 0.00 H new ATOM 0 HA LEU A 39 11.013 -0.944 9.569 1.00 0.00 H new ATOM 0 HB2 LEU A 39 8.123 -1.417 8.951 1.00 0.00 H new ATOM 0 HB3 LEU A 39 8.441 -0.491 10.404 1.00 0.00 H new ATOM 0 HG LEU A 39 7.958 0.818 8.329 1.00 0.00 H new ATOM 0 HD11 LEU A 39 9.726 2.522 8.775 1.00 0.00 H new ATOM 0 HD12 LEU A 39 9.057 1.840 10.277 1.00 0.00 H new ATOM 0 HD13 LEU A 39 10.645 1.299 9.684 1.00 0.00 H new ATOM 0 HD21 LEU A 39 9.778 1.239 6.726 1.00 0.00 H new ATOM 0 HD22 LEU A 39 10.734 -0.053 7.491 1.00 0.00 H new ATOM 0 HD23 LEU A 39 9.200 -0.443 6.677 1.00 0.00 H new ATOM 615 N GLY A 40 10.156 -3.460 11.237 1.00 0.00 N ATOM 616 CA GLY A 40 10.231 -4.089 12.540 1.00 0.00 C ATOM 617 C GLY A 40 8.872 -4.414 13.115 1.00 0.00 C ATOM 618 O GLY A 40 8.777 -5.027 14.177 1.00 0.00 O ATOM 0 H GLY A 40 10.110 -4.112 10.454 1.00 0.00 H new ATOM 0 HA2 GLY A 40 10.816 -5.006 12.462 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.762 -3.429 13.226 1.00 0.00 H new ATOM 622 N GLU A 41 7.826 -4.020 12.390 1.00 0.00 N ATOM 623 CA GLU A 41 6.441 -4.152 12.847 1.00 0.00 C ATOM 624 C GLU A 41 6.001 -5.609 12.834 1.00 0.00 C ATOM 625 O GLU A 41 5.273 -6.045 13.728 1.00 0.00 O ATOM 626 CB GLU A 41 5.498 -3.323 11.956 1.00 0.00 C ATOM 627 CG GLU A 41 5.895 -1.858 11.803 1.00 0.00 C ATOM 628 CD GLU A 41 5.877 -1.102 13.115 1.00 0.00 C ATOM 629 OE1 GLU A 41 4.793 -0.639 13.526 1.00 0.00 O ATOM 630 OE2 GLU A 41 6.941 -0.973 13.746 1.00 0.00 O ATOM 0 H GLU A 41 7.914 -3.598 11.465 1.00 0.00 H new ATOM 0 HA GLU A 41 6.391 -3.778 13.870 1.00 0.00 H new ATOM 0 HB2 GLU A 41 5.458 -3.780 10.967 1.00 0.00 H new ATOM 0 HB3 GLU A 41 4.491 -3.372 12.371 1.00 0.00 H new ATOM 0 HG2 GLU A 41 6.894 -1.801 11.370 1.00 0.00 H new ATOM 0 HG3 GLU A 41 5.216 -1.374 11.101 1.00 0.00 H new ATOM 637 N LYS A 42 6.464 -6.342 11.796 1.00 0.00 N ATOM 638 CA LYS A 42 6.200 -7.779 11.607 1.00 0.00 C ATOM 639 C LYS A 42 4.698 -8.068 11.523 1.00 0.00 C ATOM 640 O LYS A 42 4.197 -9.038 12.102 1.00 0.00 O ATOM 641 CB LYS A 42 6.860 -8.614 12.717 1.00 0.00 C ATOM 642 CG LYS A 42 8.381 -8.631 12.668 1.00 0.00 C ATOM 643 CD LYS A 42 8.949 -9.450 13.814 1.00 0.00 C ATOM 644 CE LYS A 42 10.461 -9.605 13.716 1.00 0.00 C ATOM 645 NZ LYS A 42 10.865 -10.501 12.600 1.00 0.00 N ATOM 0 H LYS A 42 7.041 -5.941 11.056 1.00 0.00 H new ATOM 0 HA LYS A 42 6.645 -8.071 10.656 1.00 0.00 H new ATOM 0 HB2 LYS A 42 6.544 -8.225 13.685 1.00 0.00 H new ATOM 0 HB3 LYS A 42 6.495 -9.639 12.651 1.00 0.00 H new ATOM 0 HG2 LYS A 42 8.714 -9.048 11.717 1.00 0.00 H new ATOM 0 HG3 LYS A 42 8.762 -7.611 12.720 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.695 -8.973 14.760 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.484 -10.436 13.819 1.00 0.00 H new ATOM 0 HE2 LYS A 42 10.916 -8.625 13.575 1.00 0.00 H new ATOM 0 HE3 LYS A 42 10.845 -10.003 14.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 11.890 -10.671 12.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 10.360 -11.407 12.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.628 -10.053 11.692 1.00 0.00 H new ATOM 659 N LEU A 43 3.996 -7.199 10.791 1.00 0.00 N ATOM 660 CA LEU A 43 2.555 -7.301 10.618 1.00 0.00 C ATOM 661 C LEU A 43 2.242 -8.522 9.762 1.00 0.00 C ATOM 662 O LEU A 43 2.876 -8.735 8.722 1.00 0.00 O ATOM 663 CB LEU A 43 2.013 -6.028 9.959 1.00 0.00 C ATOM 664 CG LEU A 43 0.573 -5.657 10.307 1.00 0.00 C ATOM 665 CD1 LEU A 43 0.489 -5.144 11.734 1.00 0.00 C ATOM 666 CD2 LEU A 43 0.030 -4.620 9.333 1.00 0.00 C ATOM 0 H LEU A 43 4.416 -6.407 10.304 1.00 0.00 H new ATOM 0 HA LEU A 43 2.075 -7.412 11.590 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.659 -5.195 10.236 1.00 0.00 H new ATOM 0 HB3 LEU A 43 2.087 -6.142 8.878 1.00 0.00 H new ATOM 0 HG LEU A 43 -0.041 -6.554 10.224 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -0.544 -4.884 11.967 1.00 0.00 H new ATOM 0 HD12 LEU A 43 0.832 -5.919 12.420 1.00 0.00 H new ATOM 0 HD13 LEU A 43 1.119 -4.261 11.841 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -0.997 -4.372 9.601 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.645 -3.721 9.379 1.00 0.00 H new ATOM 0 HD23 LEU A 43 0.053 -5.024 8.321 1.00 0.00 H new ATOM 678 N THR A 44 1.284 -9.323 10.218 1.00 0.00 N ATOM 679 CA THR A 44 1.027 -10.636 9.627 1.00 0.00 C ATOM 680 C THR A 44 0.267 -10.521 8.307 1.00 0.00 C ATOM 681 O THR A 44 -0.258 -9.462 7.987 1.00 0.00 O ATOM 682 CB THR A 44 0.237 -11.533 10.603 1.00 0.00 C ATOM 683 OG1 THR A 44 -1.035 -10.948 10.890 1.00 0.00 O ATOM 684 CG2 THR A 44 1.005 -11.742 11.905 1.00 0.00 C ATOM 0 H THR A 44 0.670 -9.087 10.997 1.00 0.00 H new ATOM 0 HA THR A 44 1.997 -11.092 9.427 1.00 0.00 H new ATOM 0 HB THR A 44 0.095 -12.502 10.125 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.916 -10.190 11.499 1.00 0.00 H new ATOM 0 HG21 THR A 44 0.423 -12.378 12.572 1.00 0.00 H new ATOM 0 HG22 THR A 44 1.961 -12.219 11.691 1.00 0.00 H new ATOM 0 HG23 THR A 44 1.180 -10.778 12.383 1.00 0.00 H new ATOM 692 N ASP A 45 0.200 -11.631 7.566 1.00 0.00 N ATOM 693 CA ASP A 45 -0.462 -11.692 6.251 1.00 0.00 C ATOM 694 C ASP A 45 -1.942 -11.291 6.341 1.00 0.00 C ATOM 695 O ASP A 45 -2.461 -10.616 5.451 1.00 0.00 O ATOM 696 CB ASP A 45 -0.329 -13.110 5.674 1.00 0.00 C ATOM 697 CG ASP A 45 -0.910 -13.260 4.273 1.00 0.00 C ATOM 698 OD1 ASP A 45 -0.255 -12.830 3.304 1.00 0.00 O ATOM 699 OD2 ASP A 45 -2.017 -13.824 4.138 1.00 0.00 O ATOM 0 H ASP A 45 0.605 -12.520 7.860 1.00 0.00 H new ATOM 0 HA ASP A 45 0.030 -10.979 5.589 1.00 0.00 H new ATOM 0 HB2 ASP A 45 0.725 -13.386 5.652 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -0.828 -13.812 6.342 1.00 0.00 H new ATOM 704 N GLU A 46 -2.588 -11.680 7.446 1.00 0.00 N ATOM 705 CA GLU A 46 -3.992 -11.349 7.703 1.00 0.00 C ATOM 706 C GLU A 46 -4.166 -9.846 7.956 1.00 0.00 C ATOM 707 O GLU A 46 -5.010 -9.213 7.335 1.00 0.00 O ATOM 708 CB GLU A 46 -4.515 -12.141 8.906 1.00 0.00 C ATOM 709 CG GLU A 46 -4.268 -13.641 8.816 1.00 0.00 C ATOM 710 CD GLU A 46 -4.786 -14.398 10.026 1.00 0.00 C ATOM 711 OE1 GLU A 46 -4.116 -14.378 11.082 1.00 0.00 O ATOM 712 OE2 GLU A 46 -5.858 -15.027 9.923 1.00 0.00 O ATOM 0 H GLU A 46 -2.152 -12.232 8.185 1.00 0.00 H new ATOM 0 HA GLU A 46 -4.567 -11.620 6.818 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.044 -11.759 9.812 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -5.586 -11.965 9.006 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -4.747 -14.030 7.918 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.198 -13.822 8.711 1.00 0.00 H new ATOM 719 N GLU A 47 -3.320 -9.282 8.840 1.00 0.00 N ATOM 720 CA GLU A 47 -3.399 -7.860 9.241 1.00 0.00 C ATOM 721 C GLU A 47 -3.037 -6.911 8.093 1.00 0.00 C ATOM 722 O GLU A 47 -3.610 -5.828 7.977 1.00 0.00 O ATOM 723 CB GLU A 47 -2.465 -7.591 10.421 1.00 0.00 C ATOM 724 CG GLU A 47 -2.855 -8.286 11.714 1.00 0.00 C ATOM 725 CD GLU A 47 -1.795 -8.128 12.786 1.00 0.00 C ATOM 726 OE1 GLU A 47 -0.659 -8.612 12.579 1.00 0.00 O ATOM 727 OE2 GLU A 47 -2.088 -7.531 13.837 1.00 0.00 O ATOM 0 H GLU A 47 -2.565 -9.795 9.296 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.434 -7.669 9.526 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.457 -7.903 10.147 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.428 -6.516 10.599 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.799 -7.877 12.075 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.020 -9.346 11.520 1.00 0.00 H new ATOM 734 N VAL A 48 -2.084 -7.328 7.256 1.00 0.00 N ATOM 735 CA VAL A 48 -1.668 -6.559 6.085 1.00 0.00 C ATOM 736 C VAL A 48 -2.778 -6.541 5.028 1.00 0.00 C ATOM 737 O VAL A 48 -3.036 -5.499 4.421 1.00 0.00 O ATOM 738 CB VAL A 48 -0.347 -7.116 5.481 1.00 0.00 C ATOM 739 CG1 VAL A 48 -0.028 -6.484 4.144 1.00 0.00 C ATOM 740 CG2 VAL A 48 0.817 -6.883 6.426 1.00 0.00 C ATOM 0 H VAL A 48 -1.581 -8.207 7.372 1.00 0.00 H new ATOM 0 HA VAL A 48 -1.481 -5.535 6.409 1.00 0.00 H new ATOM 0 HB VAL A 48 -0.495 -8.186 5.334 1.00 0.00 H new ATOM 0 HG11 VAL A 48 0.902 -6.901 3.757 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -0.837 -6.689 3.443 1.00 0.00 H new ATOM 0 HG13 VAL A 48 0.081 -5.407 4.268 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.730 -7.280 5.983 1.00 0.00 H new ATOM 0 HG22 VAL A 48 0.934 -5.814 6.602 1.00 0.00 H new ATOM 0 HG23 VAL A 48 0.624 -7.387 7.373 1.00 0.00 H new ATOM 750 N ASP A 49 -3.452 -7.684 4.851 1.00 0.00 N ATOM 751 CA ASP A 49 -4.567 -7.803 3.909 1.00 0.00 C ATOM 752 C ASP A 49 -5.732 -6.899 4.323 1.00 0.00 C ATOM 753 O ASP A 49 -6.393 -6.323 3.461 1.00 0.00 O ATOM 754 CB ASP A 49 -5.026 -9.261 3.808 1.00 0.00 C ATOM 755 CG ASP A 49 -6.132 -9.463 2.788 1.00 0.00 C ATOM 756 OD1 ASP A 49 -5.824 -9.505 1.579 1.00 0.00 O ATOM 757 OD2 ASP A 49 -7.304 -9.596 3.194 1.00 0.00 O ATOM 0 H ASP A 49 -3.240 -8.546 5.354 1.00 0.00 H new ATOM 0 HA ASP A 49 -4.221 -7.478 2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -4.174 -9.887 3.542 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -5.374 -9.595 4.785 1.00 0.00 H new ATOM 762 N GLU A 50 -5.934 -6.744 5.646 1.00 0.00 N ATOM 763 CA GLU A 50 -6.953 -5.827 6.184 1.00 0.00 C ATOM 764 C GLU A 50 -6.656 -4.383 5.796 1.00 0.00 C ATOM 765 O GLU A 50 -7.559 -3.649 5.436 1.00 0.00 O ATOM 766 CB GLU A 50 -7.041 -5.881 7.713 1.00 0.00 C ATOM 767 CG GLU A 50 -7.283 -7.254 8.310 1.00 0.00 C ATOM 768 CD GLU A 50 -8.623 -7.834 7.938 1.00 0.00 C ATOM 769 OE1 GLU A 50 -9.618 -7.516 8.614 1.00 0.00 O ATOM 770 OE2 GLU A 50 -8.690 -8.601 6.967 1.00 0.00 O ATOM 0 H GLU A 50 -5.404 -7.243 6.360 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.898 -6.157 5.753 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.114 -5.484 8.126 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -7.844 -5.218 8.036 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.496 -7.931 7.978 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.211 -7.189 9.396 1.00 0.00 H new ATOM 777 N MET A 51 -5.379 -4.000 5.857 1.00 0.00 N ATOM 778 CA MET A 51 -4.949 -2.634 5.537 1.00 0.00 C ATOM 779 C MET A 51 -5.015 -2.359 4.037 1.00 0.00 C ATOM 780 O MET A 51 -5.301 -1.236 3.626 1.00 0.00 O ATOM 781 CB MET A 51 -3.523 -2.386 6.036 1.00 0.00 C ATOM 782 CG MET A 51 -3.357 -2.475 7.545 1.00 0.00 C ATOM 783 SD MET A 51 -4.378 -1.286 8.442 1.00 0.00 S ATOM 784 CE MET A 51 -3.677 0.272 7.894 1.00 0.00 C ATOM 0 H MET A 51 -4.617 -4.622 6.128 1.00 0.00 H new ATOM 0 HA MET A 51 -5.635 -1.955 6.043 1.00 0.00 H new ATOM 0 HB2 MET A 51 -2.857 -3.110 5.567 1.00 0.00 H new ATOM 0 HB3 MET A 51 -3.203 -1.398 5.706 1.00 0.00 H new ATOM 0 HG2 MET A 51 -3.610 -3.483 7.873 1.00 0.00 H new ATOM 0 HG3 MET A 51 -2.310 -2.311 7.800 1.00 0.00 H new ATOM 0 HE1 MET A 51 -4.015 1.074 8.551 1.00 0.00 H new ATOM 0 HE2 MET A 51 -2.589 0.212 7.924 1.00 0.00 H new ATOM 0 HE3 MET A 51 -4.001 0.478 6.874 1.00 0.00 H new ATOM 794 N ILE A 52 -4.743 -3.392 3.234 1.00 0.00 N ATOM 795 CA ILE A 52 -4.826 -3.295 1.779 1.00 0.00 C ATOM 796 C ILE A 52 -6.273 -3.127 1.330 1.00 0.00 C ATOM 797 O ILE A 52 -6.554 -2.220 0.584 1.00 0.00 O ATOM 798 CB ILE A 52 -4.156 -4.520 1.080 1.00 0.00 C ATOM 799 CG1 ILE A 52 -2.633 -4.473 1.275 1.00 0.00 C ATOM 800 CG2 ILE A 52 -4.491 -4.604 -0.415 1.00 0.00 C ATOM 801 CD1 ILE A 52 -1.942 -3.273 0.646 1.00 0.00 C ATOM 0 H ILE A 52 -4.461 -4.312 3.574 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.271 -2.408 1.475 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.561 -5.416 1.551 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -2.418 -4.478 2.344 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.200 -5.382 0.858 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.999 -5.474 -0.850 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -5.570 -4.696 -0.542 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -4.143 -3.701 -0.917 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -0.870 -3.329 0.837 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -2.119 -3.274 -0.430 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.341 -2.355 1.079 1.00 0.00 H new ATOM 813 N ARG A 53 -7.189 -3.954 1.848 1.00 0.00 N ATOM 814 CA ARG A 53 -8.603 -3.900 1.441 1.00 0.00 C ATOM 815 C ARG A 53 -9.311 -2.635 1.973 1.00 0.00 C ATOM 816 O ARG A 53 -10.330 -2.212 1.434 1.00 0.00 O ATOM 817 CB ARG A 53 -9.341 -5.180 1.882 1.00 0.00 C ATOM 818 CG ARG A 53 -9.531 -5.349 3.386 1.00 0.00 C ATOM 819 CD ARG A 53 -9.980 -6.758 3.730 1.00 0.00 C ATOM 820 NE ARG A 53 -10.405 -6.897 5.126 1.00 0.00 N ATOM 821 CZ ARG A 53 -11.679 -6.962 5.529 1.00 0.00 C ATOM 822 NH1 ARG A 53 -12.681 -6.818 4.659 1.00 0.00 N ATOM 823 NH2 ARG A 53 -11.952 -7.175 6.814 1.00 0.00 N ATOM 0 H ARG A 53 -6.980 -4.667 2.547 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.631 -3.843 0.353 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -10.322 -5.194 1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.792 -6.042 1.505 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -8.596 -5.127 3.900 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -10.270 -4.632 3.744 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -10.804 -7.041 3.075 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -9.163 -7.452 3.533 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.678 -6.948 5.840 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -12.480 -6.656 3.672 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -13.647 -6.870 4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -11.192 -7.288 7.485 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -12.921 -7.226 7.128 1.00 0.00 H new ATOM 837 N GLU A 54 -8.742 -2.054 3.029 1.00 0.00 N ATOM 838 CA GLU A 54 -9.234 -0.829 3.651 1.00 0.00 C ATOM 839 C GLU A 54 -8.813 0.407 2.838 1.00 0.00 C ATOM 840 O GLU A 54 -9.545 1.391 2.759 1.00 0.00 O ATOM 841 CB GLU A 54 -8.657 -0.765 5.063 1.00 0.00 C ATOM 842 CG GLU A 54 -9.227 0.310 5.955 1.00 0.00 C ATOM 843 CD GLU A 54 -8.500 0.372 7.278 1.00 0.00 C ATOM 844 OE1 GLU A 54 -7.422 1.002 7.338 1.00 0.00 O ATOM 845 OE2 GLU A 54 -9.004 -0.198 8.261 1.00 0.00 O ATOM 0 H GLU A 54 -7.910 -2.431 3.483 1.00 0.00 H new ATOM 0 HA GLU A 54 -10.323 -0.836 3.684 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.813 -1.731 5.544 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.580 -0.616 4.989 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.157 1.276 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -10.286 0.117 6.129 1.00 0.00 H new ATOM 852 N ALA A 55 -7.630 0.335 2.229 1.00 0.00 N ATOM 853 CA ALA A 55 -7.109 1.428 1.409 1.00 0.00 C ATOM 854 C ALA A 55 -7.586 1.324 -0.039 1.00 0.00 C ATOM 855 O ALA A 55 -7.738 2.336 -0.728 1.00 0.00 O ATOM 856 CB ALA A 55 -5.590 1.439 1.455 1.00 0.00 C ATOM 0 H ALA A 55 -7.011 -0.474 2.289 1.00 0.00 H new ATOM 0 HA ALA A 55 -7.492 2.362 1.821 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -5.213 2.257 0.841 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -5.258 1.575 2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.208 0.493 1.073 1.00 0.00 H new ATOM 862 N ASP A 56 -7.836 0.093 -0.470 1.00 0.00 N ATOM 863 CA ASP A 56 -8.183 -0.204 -1.848 1.00 0.00 C ATOM 864 C ASP A 56 -9.666 0.003 -2.080 1.00 0.00 C ATOM 865 O ASP A 56 -10.515 -0.552 -1.379 1.00 0.00 O ATOM 866 CB ASP A 56 -7.787 -1.634 -2.195 1.00 0.00 C ATOM 867 CG ASP A 56 -7.553 -1.816 -3.665 1.00 0.00 C ATOM 868 OD1 ASP A 56 -6.595 -1.259 -4.179 1.00 0.00 O ATOM 869 OD2 ASP A 56 -8.316 -2.523 -4.312 1.00 0.00 O ATOM 0 H ASP A 56 -7.803 -0.729 0.133 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.635 0.478 -2.497 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -6.882 -1.901 -1.649 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -8.571 -2.316 -1.866 1.00 0.00 H new ATOM 874 N ILE A 57 -9.950 0.834 -3.059 1.00 0.00 N ATOM 875 CA ILE A 57 -11.300 1.239 -3.403 1.00 0.00 C ATOM 876 C ILE A 57 -12.005 0.164 -4.252 1.00 0.00 C ATOM 877 O ILE A 57 -13.162 -0.180 -3.994 1.00 0.00 O ATOM 878 CB ILE A 57 -11.264 2.602 -4.157 1.00 0.00 C ATOM 879 CG1 ILE A 57 -10.584 3.679 -3.278 1.00 0.00 C ATOM 880 CG2 ILE A 57 -12.669 3.054 -4.558 1.00 0.00 C ATOM 881 CD1 ILE A 57 -10.346 5.002 -3.981 1.00 0.00 C ATOM 0 H ILE A 57 -9.236 1.257 -3.652 1.00 0.00 H new ATOM 0 HA ILE A 57 -11.872 1.357 -2.483 1.00 0.00 H new ATOM 0 HB ILE A 57 -10.683 2.467 -5.070 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -11.202 3.855 -2.397 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -9.628 3.292 -2.925 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -12.609 4.008 -5.082 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -13.118 2.308 -5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -13.283 3.169 -3.665 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -9.866 5.698 -3.293 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -9.701 4.844 -4.846 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -11.299 5.416 -4.310 1.00 0.00 H new ATOM 893 N ASP A 58 -11.287 -0.395 -5.230 1.00 0.00 N ATOM 894 CA ASP A 58 -11.907 -1.273 -6.232 1.00 0.00 C ATOM 895 C ASP A 58 -11.879 -2.767 -5.840 1.00 0.00 C ATOM 896 O ASP A 58 -12.562 -3.579 -6.471 1.00 0.00 O ATOM 897 CB ASP A 58 -11.208 -1.079 -7.607 1.00 0.00 C ATOM 898 CG ASP A 58 -9.688 -1.219 -7.555 1.00 0.00 C ATOM 899 OD1 ASP A 58 -9.206 -2.132 -6.918 1.00 0.00 O ATOM 900 OD2 ASP A 58 -8.953 -0.403 -8.133 1.00 0.00 O ATOM 0 H ASP A 58 -10.283 -0.258 -5.351 1.00 0.00 H new ATOM 0 HA ASP A 58 -12.956 -0.984 -6.292 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -11.606 -1.809 -8.312 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -11.459 -0.092 -7.995 1.00 0.00 H new ATOM 905 N GLY A 59 -11.112 -3.104 -4.797 1.00 0.00 N ATOM 906 CA GLY A 59 -11.006 -4.481 -4.315 1.00 0.00 C ATOM 907 C GLY A 59 -10.240 -5.427 -5.250 1.00 0.00 C ATOM 908 O GLY A 59 -10.731 -6.520 -5.550 1.00 0.00 O ATOM 0 H GLY A 59 -10.553 -2.434 -4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -10.514 -4.475 -3.343 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -12.010 -4.877 -4.162 1.00 0.00 H new ATOM 912 N ASP A 60 -9.049 -5.019 -5.712 1.00 0.00 N ATOM 913 CA ASP A 60 -8.228 -5.869 -6.600 1.00 0.00 C ATOM 914 C ASP A 60 -7.021 -6.481 -5.873 1.00 0.00 C ATOM 915 O ASP A 60 -6.422 -7.443 -6.356 1.00 0.00 O ATOM 916 CB ASP A 60 -7.735 -5.095 -7.860 1.00 0.00 C ATOM 917 CG ASP A 60 -6.946 -3.807 -7.576 1.00 0.00 C ATOM 918 OD1 ASP A 60 -6.573 -3.561 -6.432 1.00 0.00 O ATOM 919 OD2 ASP A 60 -6.774 -2.979 -8.485 1.00 0.00 O ATOM 0 H ASP A 60 -8.632 -4.115 -5.491 1.00 0.00 H new ATOM 0 HA ASP A 60 -8.885 -6.678 -6.919 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -7.108 -5.761 -8.453 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.601 -4.843 -8.472 1.00 0.00 H new ATOM 924 N GLY A 61 -6.680 -5.939 -4.703 1.00 0.00 N ATOM 925 CA GLY A 61 -5.532 -6.427 -3.958 1.00 0.00 C ATOM 926 C GLY A 61 -4.287 -5.560 -4.103 1.00 0.00 C ATOM 927 O GLY A 61 -3.287 -5.806 -3.421 1.00 0.00 O ATOM 0 H GLY A 61 -7.181 -5.169 -4.259 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.797 -6.491 -2.903 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.299 -7.439 -4.290 1.00 0.00 H new ATOM 931 N GLN A 62 -4.319 -4.564 -4.997 1.00 0.00 N ATOM 932 CA GLN A 62 -3.210 -3.617 -5.136 1.00 0.00 C ATOM 933 C GLN A 62 -3.713 -2.185 -5.141 1.00 0.00 C ATOM 934 O GLN A 62 -4.567 -1.787 -5.950 1.00 0.00 O ATOM 935 CB GLN A 62 -2.404 -3.796 -6.412 1.00 0.00 C ATOM 936 CG GLN A 62 -2.015 -5.210 -6.780 1.00 0.00 C ATOM 937 CD GLN A 62 -1.194 -5.250 -8.048 1.00 0.00 C ATOM 938 OE1 GLN A 62 0.037 -5.188 -8.010 1.00 0.00 O ATOM 939 NE2 GLN A 62 -1.866 -5.325 -9.184 1.00 0.00 N ATOM 0 H GLN A 62 -5.099 -4.395 -5.632 1.00 0.00 H new ATOM 0 HA GLN A 62 -2.570 -3.823 -4.278 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -2.978 -3.376 -7.238 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -1.492 -3.205 -6.324 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -1.446 -5.655 -5.964 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -2.914 -5.813 -6.909 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -2.885 -5.375 -9.172 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -1.366 -5.333 -10.073 1.00 0.00 H new ATOM 948 N VAL A 63 -3.063 -1.401 -4.330 1.00 0.00 N ATOM 949 CA VAL A 63 -3.465 -0.043 -4.052 1.00 0.00 C ATOM 950 C VAL A 63 -2.580 0.901 -4.856 1.00 0.00 C ATOM 951 O VAL A 63 -1.423 1.125 -4.503 1.00 0.00 O ATOM 952 CB VAL A 63 -3.353 0.269 -2.525 1.00 0.00 C ATOM 953 CG1 VAL A 63 -4.005 1.591 -2.175 1.00 0.00 C ATOM 954 CG2 VAL A 63 -3.964 -0.840 -1.674 1.00 0.00 C ATOM 0 H VAL A 63 -2.221 -1.689 -3.831 1.00 0.00 H new ATOM 0 HA VAL A 63 -4.508 0.093 -4.340 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.288 0.333 -2.303 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.907 1.773 -1.105 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.517 2.395 -2.726 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -5.061 1.558 -2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.866 -0.585 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.019 -0.951 -1.924 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -3.444 -1.778 -1.870 1.00 0.00 H new ATOM 964 N ASN A 64 -3.116 1.412 -5.966 1.00 0.00 N ATOM 965 CA ASN A 64 -2.375 2.354 -6.817 1.00 0.00 C ATOM 966 C ASN A 64 -2.492 3.789 -6.286 1.00 0.00 C ATOM 967 O ASN A 64 -3.019 3.980 -5.194 1.00 0.00 O ATOM 968 CB ASN A 64 -2.803 2.249 -8.294 1.00 0.00 C ATOM 969 CG ASN A 64 -4.296 2.120 -8.513 1.00 0.00 C ATOM 970 OD1 ASN A 64 -4.824 1.022 -8.559 1.00 0.00 O ATOM 971 ND2 ASN A 64 -4.972 3.223 -8.694 1.00 0.00 N ATOM 0 H ASN A 64 -4.055 1.193 -6.298 1.00 0.00 H new ATOM 0 HA ASN A 64 -1.322 2.076 -6.776 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -2.447 3.132 -8.825 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -2.308 1.387 -8.741 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -5.974 3.182 -8.881 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -4.498 4.125 -8.649 1.00 0.00 H new ATOM 978 N TYR A 65 -1.999 4.776 -7.061 1.00 0.00 N ATOM 979 CA TYR A 65 -1.765 6.147 -6.570 1.00 0.00 C ATOM 980 C TYR A 65 -3.011 6.790 -5.957 1.00 0.00 C ATOM 981 O TYR A 65 -2.995 7.143 -4.788 1.00 0.00 O ATOM 982 CB TYR A 65 -1.188 7.034 -7.692 1.00 0.00 C ATOM 983 CG TYR A 65 -1.064 8.503 -7.320 1.00 0.00 C ATOM 984 CD1 TYR A 65 -0.133 8.936 -6.382 1.00 0.00 C ATOM 985 CD2 TYR A 65 -1.897 9.455 -7.903 1.00 0.00 C ATOM 986 CE1 TYR A 65 -0.039 10.270 -6.038 1.00 0.00 C ATOM 987 CE2 TYR A 65 -1.803 10.789 -7.565 1.00 0.00 C ATOM 988 CZ TYR A 65 -0.876 11.191 -6.632 1.00 0.00 C ATOM 989 OH TYR A 65 -0.789 12.523 -6.288 1.00 0.00 O ATOM 0 H TYR A 65 -1.753 4.645 -8.042 1.00 0.00 H new ATOM 0 HA TYR A 65 -1.034 6.067 -5.765 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -0.204 6.656 -7.969 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -1.823 6.946 -8.573 1.00 0.00 H new ATOM 0 HD1 TYR A 65 0.526 8.218 -5.916 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -2.630 9.143 -8.633 1.00 0.00 H new ATOM 0 HE1 TYR A 65 0.688 10.591 -5.306 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -2.454 11.514 -8.031 1.00 0.00 H new ATOM 0 HH TYR A 65 -0.408 12.604 -5.389 1.00 0.00 H new ATOM 999 N GLU A 66 -4.077 6.896 -6.745 1.00 0.00 N ATOM 1000 CA GLU A 66 -5.346 7.517 -6.328 1.00 0.00 C ATOM 1001 C GLU A 66 -5.968 6.827 -5.112 1.00 0.00 C ATOM 1002 O GLU A 66 -6.435 7.496 -4.201 1.00 0.00 O ATOM 1003 CB GLU A 66 -6.350 7.525 -7.489 1.00 0.00 C ATOM 1004 CG GLU A 66 -6.359 6.238 -8.313 1.00 0.00 C ATOM 1005 CD GLU A 66 -5.544 6.363 -9.582 1.00 0.00 C ATOM 1006 OE1 GLU A 66 -6.082 6.838 -10.599 1.00 0.00 O ATOM 1007 OE2 GLU A 66 -4.346 6.002 -9.553 1.00 0.00 O ATOM 0 H GLU A 66 -4.092 6.551 -7.705 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.111 8.541 -6.039 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.350 7.695 -7.090 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -6.122 8.364 -8.147 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.965 5.420 -7.710 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -7.387 5.980 -8.568 1.00 0.00 H new ATOM 1014 N GLU A 67 -5.909 5.497 -5.100 1.00 0.00 N ATOM 1015 CA GLU A 67 -6.457 4.667 -4.028 1.00 0.00 C ATOM 1016 C GLU A 67 -5.708 4.880 -2.702 1.00 0.00 C ATOM 1017 O GLU A 67 -6.321 4.947 -1.633 1.00 0.00 O ATOM 1018 CB GLU A 67 -6.381 3.207 -4.465 1.00 0.00 C ATOM 1019 CG GLU A 67 -7.391 2.836 -5.531 1.00 0.00 C ATOM 1020 CD GLU A 67 -7.434 1.350 -5.789 1.00 0.00 C ATOM 1021 OE1 GLU A 67 -6.466 0.790 -6.319 1.00 0.00 O ATOM 1022 OE2 GLU A 67 -8.443 0.722 -5.474 1.00 0.00 O ATOM 0 H GLU A 67 -5.472 4.957 -5.847 1.00 0.00 H new ATOM 0 HA GLU A 67 -7.494 4.952 -3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -5.378 3.001 -4.840 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -6.533 2.568 -3.595 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.380 3.178 -5.226 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.146 3.356 -6.457 1.00 0.00 H new ATOM 1029 N PHE A 68 -4.384 5.029 -2.802 1.00 0.00 N ATOM 1030 CA PHE A 68 -3.515 5.258 -1.653 1.00 0.00 C ATOM 1031 C PHE A 68 -3.682 6.689 -1.131 1.00 0.00 C ATOM 1032 O PHE A 68 -3.636 6.905 0.069 1.00 0.00 O ATOM 1033 CB PHE A 68 -2.053 4.975 -2.051 1.00 0.00 C ATOM 1034 CG PHE A 68 -1.082 4.886 -0.903 1.00 0.00 C ATOM 1035 CD1 PHE A 68 -1.183 3.872 0.039 1.00 0.00 C ATOM 1036 CD2 PHE A 68 -0.052 5.805 -0.776 1.00 0.00 C ATOM 1037 CE1 PHE A 68 -0.280 3.782 1.081 1.00 0.00 C ATOM 1038 CE2 PHE A 68 0.853 5.721 0.264 1.00 0.00 C ATOM 1039 CZ PHE A 68 0.740 4.708 1.193 1.00 0.00 C ATOM 0 H PHE A 68 -3.885 4.993 -3.691 1.00 0.00 H new ATOM 0 HA PHE A 68 -3.794 4.580 -0.847 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -2.020 4.039 -2.608 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -1.719 5.761 -2.729 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.977 3.144 -0.043 1.00 0.00 H new ATOM 0 HD2 PHE A 68 0.044 6.599 -1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -0.371 2.988 1.808 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.648 6.447 0.350 1.00 0.00 H new ATOM 0 HZ PHE A 68 1.447 4.638 2.006 1.00 0.00 H new ATOM 1049 N VAL A 69 -3.930 7.643 -2.044 1.00 0.00 N ATOM 1050 CA VAL A 69 -4.150 9.050 -1.678 1.00 0.00 C ATOM 1051 C VAL A 69 -5.426 9.199 -0.864 1.00 0.00 C ATOM 1052 O VAL A 69 -5.403 9.856 0.166 1.00 0.00 O ATOM 1053 CB VAL A 69 -4.196 9.997 -2.923 1.00 0.00 C ATOM 1054 CG1 VAL A 69 -4.623 11.415 -2.554 1.00 0.00 C ATOM 1055 CG2 VAL A 69 -2.844 10.065 -3.603 1.00 0.00 C ATOM 0 H VAL A 69 -3.983 7.462 -3.046 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.295 9.352 -1.072 1.00 0.00 H new ATOM 0 HB VAL A 69 -4.936 9.572 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.640 12.035 -3.450 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.618 11.391 -2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -3.916 11.833 -1.837 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.903 10.730 -4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -2.102 10.446 -2.901 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.552 9.068 -3.933 1.00 0.00 H new ATOM 1065 N GLN A 70 -6.505 8.525 -1.292 1.00 0.00 N ATOM 1066 CA GLN A 70 -7.823 8.668 -0.663 1.00 0.00 C ATOM 1067 C GLN A 70 -7.808 8.227 0.793 1.00 0.00 C ATOM 1068 O GLN A 70 -8.391 8.885 1.639 1.00 0.00 O ATOM 1069 CB GLN A 70 -8.887 7.863 -1.415 1.00 0.00 C ATOM 1070 CG GLN A 70 -9.129 8.318 -2.844 1.00 0.00 C ATOM 1071 CD GLN A 70 -9.490 9.788 -2.989 1.00 0.00 C ATOM 1072 OE1 GLN A 70 -10.122 10.389 -2.121 1.00 0.00 O ATOM 1073 NE2 GLN A 70 -9.077 10.374 -4.099 1.00 0.00 N ATOM 0 H GLN A 70 -6.487 7.873 -2.076 1.00 0.00 H new ATOM 0 HA GLN A 70 -8.071 9.729 -0.706 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -8.590 6.814 -1.427 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.826 7.922 -0.864 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.233 8.118 -3.431 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -9.931 7.717 -3.272 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.555 9.840 -4.794 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.280 11.360 -4.261 1.00 0.00 H new ATOM 1082 N HIS A 71 -7.088 7.149 1.079 1.00 0.00 N ATOM 1083 CA HIS A 71 -7.025 6.604 2.425 1.00 0.00 C ATOM 1084 C HIS A 71 -6.017 7.377 3.298 1.00 0.00 C ATOM 1085 O HIS A 71 -6.211 7.514 4.501 1.00 0.00 O ATOM 1086 CB HIS A 71 -6.667 5.120 2.348 1.00 0.00 C ATOM 1087 CG HIS A 71 -6.868 4.385 3.633 1.00 0.00 C ATOM 1088 ND1 HIS A 71 -8.095 4.255 4.233 1.00 0.00 N ATOM 1089 CD2 HIS A 71 -5.981 3.775 4.444 1.00 0.00 C ATOM 1090 CE1 HIS A 71 -7.960 3.594 5.358 1.00 0.00 C ATOM 1091 NE2 HIS A 71 -6.685 3.284 5.515 1.00 0.00 N ATOM 0 H HIS A 71 -6.538 6.634 0.391 1.00 0.00 H new ATOM 0 HA HIS A 71 -8.001 6.713 2.899 1.00 0.00 H new ATOM 0 HB2 HIS A 71 -7.271 4.650 1.572 1.00 0.00 H new ATOM 0 HB3 HIS A 71 -5.625 5.022 2.043 1.00 0.00 H new ATOM 0 HD2 HIS A 71 -4.917 3.689 4.282 1.00 0.00 H new ATOM 0 HE1 HIS A 71 -8.758 3.345 6.042 1.00 0.00 H new ATOM 0 HE2 HIS A 71 -6.290 2.767 6.300 1.00 0.00 H new ATOM 1100 N MET A 72 -4.963 7.904 2.677 1.00 0.00 N ATOM 1101 CA MET A 72 -3.907 8.620 3.399 1.00 0.00 C ATOM 1102 C MET A 72 -4.272 10.082 3.680 1.00 0.00 C ATOM 1103 O MET A 72 -3.548 10.773 4.394 1.00 0.00 O ATOM 1104 CB MET A 72 -2.601 8.544 2.602 1.00 0.00 C ATOM 1105 CG MET A 72 -1.872 7.211 2.733 1.00 0.00 C ATOM 1106 SD MET A 72 -0.888 7.071 4.237 1.00 0.00 S ATOM 1107 CE MET A 72 0.548 8.040 3.779 1.00 0.00 C ATOM 0 H MET A 72 -4.815 7.849 1.669 1.00 0.00 H new ATOM 0 HA MET A 72 -3.783 8.135 4.367 1.00 0.00 H new ATOM 0 HB2 MET A 72 -2.818 8.726 1.549 1.00 0.00 H new ATOM 0 HB3 MET A 72 -1.938 9.343 2.933 1.00 0.00 H new ATOM 0 HG2 MET A 72 -2.603 6.403 2.711 1.00 0.00 H new ATOM 0 HG3 MET A 72 -1.221 7.076 1.869 1.00 0.00 H new ATOM 0 HE1 MET A 72 1.448 7.439 3.908 1.00 0.00 H new ATOM 0 HE2 MET A 72 0.463 8.347 2.737 1.00 0.00 H new ATOM 0 HE3 MET A 72 0.608 8.924 4.414 1.00 0.00 H new ATOM 1117 N THR A 73 -5.385 10.557 3.113 1.00 0.00 N ATOM 1118 CA THR A 73 -5.829 11.933 3.337 1.00 0.00 C ATOM 1119 C THR A 73 -7.195 11.995 4.035 1.00 0.00 C ATOM 1120 O THR A 73 -7.629 13.070 4.454 1.00 0.00 O ATOM 1121 CB THR A 73 -5.888 12.748 2.020 1.00 0.00 C ATOM 1122 OG1 THR A 73 -6.769 12.120 1.080 1.00 0.00 O ATOM 1123 CG2 THR A 73 -4.503 12.901 1.396 1.00 0.00 C ATOM 0 H THR A 73 -5.991 10.012 2.500 1.00 0.00 H new ATOM 0 HA THR A 73 -5.082 12.381 3.993 1.00 0.00 H new ATOM 0 HB THR A 73 -6.267 13.740 2.267 1.00 0.00 H new ATOM 0 HG1 THR A 73 -6.343 11.314 0.720 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.581 13.477 0.474 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.845 13.419 2.094 1.00 0.00 H new ATOM 0 HG23 THR A 73 -4.093 11.916 1.174 1.00 0.00 H new