USER MOD reduce.3.24.130724 H: found=0, std=0, add=602, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 601 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 41 CYS SG : rot 170:sc= -6.73! USER MOD Set 1.2: A 51 THR OG1 : rot 84:sc= 0.98 USER MOD Single : A 10 THR OG1 : rot -20:sc= 0.764 USER MOD Single : A 16 ASN : amide:sc= -9.27! C(o=-9.3!,f=-16!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 THR OG1 : rot -83:sc= 0.552 USER MOD Single : A 21 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=-0.088) USER MOD Single : A 32 SER OG : rot 180:sc= 0.0553 USER MOD Single : A 34 GLN : amide:sc= -0.0406 K(o=-0.041,f=-1.5!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot -141:sc= -4.44! USER MOD Single : A 50 HIS : no HD1:sc= -2.35 X(o=-2.4,f=-2.1!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.0124 X(o=-0.012,f=-0.14) USER MOD Single : A 59 SER OG : rot 100:sc= -1.25 USER MOD Single : A 60 GLN : amide:sc= -0.0791 X(o=-0.079,f=-0.07) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.066 X(o=-0.066,f=-0.3) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.909 USER MOD Single : A 80 MET CE :methyl -134:sc= -0.781 (180deg=-2.47!) USER MOD ----------------------------------------------------------------- ATOM 103 N THR A 10 -0.218 -14.513 -4.494 1.00 0.00 N ATOM 104 CA THR A 10 0.073 -13.090 -4.502 1.00 0.00 C ATOM 105 C THR A 10 -0.073 -12.524 -5.916 1.00 0.00 C ATOM 106 O THR A 10 0.069 -13.251 -6.898 1.00 0.00 O ATOM 107 CB THR A 10 1.469 -12.890 -3.909 1.00 0.00 C ATOM 108 OG1 THR A 10 2.212 -14.010 -4.382 1.00 0.00 O ATOM 109 CG2 THR A 10 1.486 -13.048 -2.387 1.00 0.00 C ATOM 0 HA THR A 10 -0.639 -12.537 -3.889 1.00 0.00 H new ATOM 0 HB THR A 10 1.838 -11.900 -4.176 1.00 0.00 H new ATOM 0 HG1 THR A 10 1.595 -14.719 -4.658 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.500 -12.896 -2.017 1.00 0.00 H new ATOM 0 HG22 THR A 10 0.821 -12.310 -1.937 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.149 -14.050 -2.121 1.00 0.00 H new ATOM 117 N VAL A 11 -0.354 -11.230 -5.975 1.00 0.00 N ATOM 118 CA VAL A 11 -0.521 -10.558 -7.252 1.00 0.00 C ATOM 119 C VAL A 11 0.559 -9.485 -7.403 1.00 0.00 C ATOM 120 O VAL A 11 1.166 -9.066 -6.418 1.00 0.00 O ATOM 121 CB VAL A 11 -1.940 -9.998 -7.367 1.00 0.00 C ATOM 122 CG1 VAL A 11 -2.978 -11.121 -7.312 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.206 -8.951 -6.284 1.00 0.00 C ATOM 0 H VAL A 11 -0.470 -10.630 -5.159 1.00 0.00 H new ATOM 0 HA VAL A 11 -0.397 -11.263 -8.074 1.00 0.00 H new ATOM 0 HB VAL A 11 -2.029 -9.507 -8.336 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.978 -10.696 -7.396 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.808 -11.814 -8.136 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.888 -11.654 -6.365 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.222 -8.569 -6.389 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -2.089 -9.407 -5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.497 -8.130 -6.390 1.00 0.00 H new ATOM 133 N ARG A 12 0.767 -9.070 -8.644 1.00 0.00 N ATOM 134 CA ARG A 12 1.763 -8.054 -8.937 1.00 0.00 C ATOM 135 C ARG A 12 1.170 -6.657 -8.744 1.00 0.00 C ATOM 136 O ARG A 12 0.306 -6.234 -9.510 1.00 0.00 O ATOM 137 CB ARG A 12 2.280 -8.187 -10.371 1.00 0.00 C ATOM 138 CG ARG A 12 3.754 -8.598 -10.387 1.00 0.00 C ATOM 139 CD ARG A 12 4.328 -8.528 -11.804 1.00 0.00 C ATOM 140 NE ARG A 12 5.101 -9.755 -12.098 1.00 0.00 N ATOM 141 CZ ARG A 12 5.484 -10.125 -13.327 1.00 0.00 C ATOM 142 NH1 ARG A 12 5.167 -9.365 -14.385 1.00 0.00 N ATOM 143 NH2 ARG A 12 6.183 -11.255 -13.500 1.00 0.00 N ATOM 0 H ARG A 12 0.262 -9.419 -9.459 1.00 0.00 H new ATOM 0 HA ARG A 12 2.595 -8.197 -8.248 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.687 -8.927 -10.908 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.157 -7.239 -10.895 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.325 -7.944 -9.727 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.857 -9.611 -9.999 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.520 -8.415 -12.527 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.969 -7.652 -11.903 1.00 0.00 H new ATOM 0 HE ARG A 12 5.358 -10.357 -11.316 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.634 -8.505 -14.254 1.00 0.00 H new ATOM 0 HH12 ARG A 12 5.459 -9.647 -15.321 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.424 -11.834 -12.696 1.00 0.00 H new ATOM 0 HH22 ARG A 12 6.474 -11.536 -14.436 1.00 0.00 H new ATOM 157 N VAL A 13 1.657 -5.980 -7.714 1.00 0.00 N ATOM 158 CA VAL A 13 1.185 -4.639 -7.410 1.00 0.00 C ATOM 159 C VAL A 13 2.256 -3.623 -7.811 1.00 0.00 C ATOM 160 O VAL A 13 3.449 -3.878 -7.652 1.00 0.00 O ATOM 161 CB VAL A 13 0.794 -4.545 -5.934 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.386 -3.117 -5.565 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.321 -5.537 -5.598 1.00 0.00 C ATOM 0 H VAL A 13 2.373 -6.334 -7.080 1.00 0.00 H new ATOM 0 HA VAL A 13 0.288 -4.410 -7.985 1.00 0.00 H new ATOM 0 HB VAL A 13 1.668 -4.809 -5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 13 0.113 -3.078 -4.511 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.221 -2.441 -5.749 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.467 -2.814 -6.172 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.580 -5.450 -4.543 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.198 -5.318 -6.206 1.00 0.00 H new ATOM 0 HG23 VAL A 13 0.020 -6.551 -5.805 1.00 0.00 H new ATOM 173 N VAL A 14 1.792 -2.493 -8.324 1.00 0.00 N ATOM 174 CA VAL A 14 2.695 -1.437 -8.748 1.00 0.00 C ATOM 175 C VAL A 14 2.753 -0.356 -7.667 1.00 0.00 C ATOM 176 O VAL A 14 1.834 0.451 -7.542 1.00 0.00 O ATOM 177 CB VAL A 14 2.263 -0.896 -10.113 1.00 0.00 C ATOM 178 CG1 VAL A 14 3.102 0.320 -10.511 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.337 -1.987 -11.183 1.00 0.00 C ATOM 0 H VAL A 14 0.802 -2.286 -8.456 1.00 0.00 H new ATOM 0 HA VAL A 14 3.706 -1.826 -8.872 1.00 0.00 H new ATOM 0 HB VAL A 14 1.224 -0.575 -10.033 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.775 0.685 -11.485 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.977 1.107 -9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 14 4.153 0.035 -10.565 1.00 0.00 H new ATOM 0 HG21 VAL A 14 2.025 -1.577 -12.143 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.361 -2.352 -11.260 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.678 -2.811 -10.909 1.00 0.00 H new ATOM 189 N ILE A 15 3.843 -0.374 -6.915 1.00 0.00 N ATOM 190 CA ILE A 15 4.033 0.594 -5.849 1.00 0.00 C ATOM 191 C ILE A 15 4.654 1.868 -6.427 1.00 0.00 C ATOM 192 O ILE A 15 5.749 1.830 -6.986 1.00 0.00 O ATOM 193 CB ILE A 15 4.843 -0.019 -4.705 1.00 0.00 C ATOM 194 CG1 ILE A 15 4.101 -1.203 -4.081 1.00 0.00 C ATOM 195 CG2 ILE A 15 5.210 1.040 -3.663 1.00 0.00 C ATOM 196 CD1 ILE A 15 2.894 -0.729 -3.271 1.00 0.00 C ATOM 0 H ILE A 15 4.604 -1.044 -7.023 1.00 0.00 H new ATOM 0 HA ILE A 15 3.073 0.874 -5.415 1.00 0.00 H new ATOM 0 HB ILE A 15 5.777 -0.403 -5.116 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.772 -1.885 -4.865 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.779 -1.762 -3.436 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.785 0.577 -2.861 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.807 1.822 -4.133 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.300 1.476 -3.251 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.385 -1.590 -2.839 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.229 -0.067 -2.472 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.206 -0.191 -3.924 1.00 0.00 H new ATOM 208 N ASN A 16 3.927 2.965 -6.274 1.00 0.00 N ATOM 209 CA ASN A 16 4.392 4.247 -6.774 1.00 0.00 C ATOM 210 C ASN A 16 4.696 5.170 -5.593 1.00 0.00 C ATOM 211 O ASN A 16 3.839 5.397 -4.740 1.00 0.00 O ATOM 212 CB ASN A 16 3.324 4.921 -7.638 1.00 0.00 C ATOM 213 CG ASN A 16 1.954 4.276 -7.420 1.00 0.00 C ATOM 214 OD1 ASN A 16 1.089 4.809 -6.744 1.00 0.00 O ATOM 215 ND2 ASN A 16 1.806 3.103 -8.027 1.00 0.00 N ATOM 0 H ASN A 16 3.019 2.992 -5.811 1.00 0.00 H new ATOM 0 HA ASN A 16 5.284 4.071 -7.375 1.00 0.00 H new ATOM 0 HB2 ASN A 16 3.273 5.983 -7.396 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.602 4.847 -8.689 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.927 2.592 -7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 16 2.571 2.714 -8.578 1.00 0.00 H new ATOM 222 N PHE A 17 5.920 5.678 -5.580 1.00 0.00 N ATOM 223 CA PHE A 17 6.349 6.572 -4.518 1.00 0.00 C ATOM 224 C PHE A 17 7.256 7.677 -5.063 1.00 0.00 C ATOM 225 O PHE A 17 7.900 7.502 -6.096 1.00 0.00 O ATOM 226 CB PHE A 17 7.138 5.728 -3.515 1.00 0.00 C ATOM 227 CG PHE A 17 8.517 5.294 -4.017 1.00 0.00 C ATOM 228 CD1 PHE A 17 9.593 6.106 -3.838 1.00 0.00 C ATOM 229 CD2 PHE A 17 8.666 4.095 -4.643 1.00 0.00 C ATOM 230 CE1 PHE A 17 10.872 5.703 -4.303 1.00 0.00 C ATOM 231 CE2 PHE A 17 9.946 3.692 -5.109 1.00 0.00 C ATOM 232 CZ PHE A 17 11.022 4.504 -4.929 1.00 0.00 C ATOM 0 H PHE A 17 6.628 5.487 -6.289 1.00 0.00 H new ATOM 0 HA PHE A 17 5.482 7.046 -4.058 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.261 6.297 -2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.557 4.840 -3.266 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.474 7.058 -3.342 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.812 3.450 -4.785 1.00 0.00 H new ATOM 0 HE1 PHE A 17 11.726 6.348 -4.160 1.00 0.00 H new ATOM 0 HE2 PHE A 17 10.065 2.741 -5.606 1.00 0.00 H new ATOM 0 HZ PHE A 17 11.995 4.197 -5.283 1.00 0.00 H new ATOM 242 N LYS A 18 7.277 8.790 -4.344 1.00 0.00 N ATOM 243 CA LYS A 18 8.094 9.923 -4.743 1.00 0.00 C ATOM 244 C LYS A 18 7.490 10.568 -5.992 1.00 0.00 C ATOM 245 O LYS A 18 8.089 11.464 -6.584 1.00 0.00 O ATOM 246 CB LYS A 18 9.553 9.496 -4.916 1.00 0.00 C ATOM 247 CG LYS A 18 10.391 9.903 -3.702 1.00 0.00 C ATOM 248 CD LYS A 18 11.854 10.120 -4.093 1.00 0.00 C ATOM 249 CE LYS A 18 12.787 9.809 -2.921 1.00 0.00 C ATOM 250 NZ LYS A 18 14.017 10.628 -3.007 1.00 0.00 N ATOM 0 H LYS A 18 6.741 8.931 -3.488 1.00 0.00 H new ATOM 0 HA LYS A 18 8.098 10.683 -3.962 1.00 0.00 H new ATOM 0 HB2 LYS A 18 9.606 8.416 -5.053 1.00 0.00 H new ATOM 0 HB3 LYS A 18 9.965 9.952 -5.816 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.988 10.818 -3.267 1.00 0.00 H new ATOM 0 HG3 LYS A 18 10.326 9.131 -2.936 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.106 9.484 -4.941 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.999 11.151 -4.414 1.00 0.00 H new ATOM 0 HE2 LYS A 18 12.276 10.007 -1.979 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.047 8.750 -2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 14.639 10.405 -2.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.512 10.419 -3.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.765 11.637 -2.980 1.00 0.00 H new ATOM 264 N LYS A 19 6.310 10.087 -6.355 1.00 0.00 N ATOM 265 CA LYS A 19 5.618 10.605 -7.523 1.00 0.00 C ATOM 266 C LYS A 19 6.553 10.546 -8.733 1.00 0.00 C ATOM 267 O LYS A 19 6.474 11.389 -9.625 1.00 0.00 O ATOM 268 CB LYS A 19 5.065 12.004 -7.241 1.00 0.00 C ATOM 269 CG LYS A 19 3.642 11.929 -6.685 1.00 0.00 C ATOM 270 CD LYS A 19 3.187 13.291 -6.157 1.00 0.00 C ATOM 271 CE LYS A 19 2.513 14.109 -7.261 1.00 0.00 C ATOM 272 NZ LYS A 19 2.189 15.469 -6.773 1.00 0.00 N ATOM 0 H LYS A 19 5.816 9.344 -5.861 1.00 0.00 H new ATOM 0 HA LYS A 19 4.752 9.986 -7.758 1.00 0.00 H new ATOM 0 HB2 LYS A 19 5.711 12.518 -6.529 1.00 0.00 H new ATOM 0 HB3 LYS A 19 5.070 12.593 -8.158 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.960 11.591 -7.465 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.599 11.192 -5.883 1.00 0.00 H new ATOM 0 HD2 LYS A 19 2.493 13.151 -5.328 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.044 13.838 -5.766 1.00 0.00 H new ATOM 0 HE2 LYS A 19 3.171 14.174 -8.127 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.603 13.607 -7.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.732 16.011 -7.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.544 15.402 -5.960 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.063 15.951 -6.482 1.00 0.00 H new ATOM 286 N THR A 20 7.417 9.541 -8.724 1.00 0.00 N ATOM 287 CA THR A 20 8.366 9.361 -9.809 1.00 0.00 C ATOM 288 C THR A 20 8.823 7.903 -9.881 1.00 0.00 C ATOM 289 O THR A 20 8.657 7.246 -10.908 1.00 0.00 O ATOM 290 CB THR A 20 9.515 10.349 -9.601 1.00 0.00 C ATOM 291 OG1 THR A 20 9.937 10.114 -8.261 1.00 0.00 O ATOM 292 CG2 THR A 20 9.043 11.804 -9.594 1.00 0.00 C ATOM 0 H THR A 20 7.479 8.843 -7.983 1.00 0.00 H new ATOM 0 HA THR A 20 7.908 9.573 -10.775 1.00 0.00 H new ATOM 0 HB THR A 20 10.257 10.213 -10.388 1.00 0.00 H new ATOM 0 HG1 THR A 20 9.364 10.617 -7.645 1.00 0.00 H new ATOM 0 HG21 THR A 20 9.898 12.463 -9.443 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.569 12.037 -10.547 1.00 0.00 H new ATOM 0 HG23 THR A 20 8.325 11.950 -8.787 1.00 0.00 H new ATOM 300 N GLN A 21 9.390 7.439 -8.777 1.00 0.00 N ATOM 301 CA GLN A 21 9.873 6.071 -8.702 1.00 0.00 C ATOM 302 C GLN A 21 8.744 5.132 -8.272 1.00 0.00 C ATOM 303 O GLN A 21 7.813 5.550 -7.585 1.00 0.00 O ATOM 304 CB GLN A 21 11.067 5.962 -7.752 1.00 0.00 C ATOM 305 CG GLN A 21 12.292 6.677 -8.326 1.00 0.00 C ATOM 306 CD GLN A 21 13.513 6.484 -7.425 1.00 0.00 C ATOM 307 OE1 GLN A 21 14.028 5.390 -7.260 1.00 0.00 O ATOM 308 NE2 GLN A 21 13.946 7.603 -6.852 1.00 0.00 N ATOM 0 H GLN A 21 9.526 7.986 -7.927 1.00 0.00 H new ATOM 0 HA GLN A 21 10.211 5.771 -9.694 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.808 6.395 -6.786 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.303 4.912 -7.578 1.00 0.00 H new ATOM 0 HG2 GLN A 21 12.507 6.293 -9.323 1.00 0.00 H new ATOM 0 HG3 GLN A 21 12.079 7.741 -8.433 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.469 8.486 -7.033 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.755 7.578 -6.232 1.00 0.00 H new ATOM 317 N LYS A 22 8.863 3.882 -8.695 1.00 0.00 N ATOM 318 CA LYS A 22 7.864 2.881 -8.362 1.00 0.00 C ATOM 319 C LYS A 22 8.536 1.511 -8.259 1.00 0.00 C ATOM 320 O LYS A 22 9.498 1.232 -8.972 1.00 0.00 O ATOM 321 CB LYS A 22 6.707 2.926 -9.363 1.00 0.00 C ATOM 322 CG LYS A 22 7.228 2.967 -10.801 1.00 0.00 C ATOM 323 CD LYS A 22 7.486 1.555 -11.332 1.00 0.00 C ATOM 324 CE LYS A 22 7.663 1.565 -12.851 1.00 0.00 C ATOM 325 NZ LYS A 22 7.728 0.182 -13.374 1.00 0.00 N ATOM 0 H LYS A 22 9.636 3.540 -9.265 1.00 0.00 H new ATOM 0 HA LYS A 22 7.421 3.093 -7.389 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.070 2.052 -9.228 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.089 3.803 -9.171 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.504 3.473 -11.440 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.149 3.548 -10.841 1.00 0.00 H new ATOM 0 HD2 LYS A 22 8.378 1.143 -10.861 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.654 0.904 -11.063 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.833 2.097 -13.316 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.574 2.103 -13.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.848 0.207 -14.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.534 -0.314 -12.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 6.847 -0.319 -13.140 1.00 0.00 H new ATOM 339 N THR A 23 8.001 0.691 -7.366 1.00 0.00 N ATOM 340 CA THR A 23 8.537 -0.644 -7.161 1.00 0.00 C ATOM 341 C THR A 23 7.428 -1.690 -7.293 1.00 0.00 C ATOM 342 O THR A 23 6.265 -1.406 -7.011 1.00 0.00 O ATOM 343 CB THR A 23 9.236 -0.669 -5.800 1.00 0.00 C ATOM 344 OG1 THR A 23 9.867 -1.946 -5.757 1.00 0.00 O ATOM 345 CG2 THR A 23 8.247 -0.702 -4.634 1.00 0.00 C ATOM 0 H THR A 23 7.202 0.925 -6.777 1.00 0.00 H new ATOM 0 HA THR A 23 9.272 -0.897 -7.925 1.00 0.00 H new ATOM 0 HB THR A 23 9.878 0.207 -5.706 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.346 -2.046 -4.908 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.795 -0.719 -3.692 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.613 0.184 -4.669 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.626 -1.595 -4.708 1.00 0.00 H new ATOM 353 N ILE A 24 7.828 -2.878 -7.722 1.00 0.00 N ATOM 354 CA ILE A 24 6.883 -3.968 -7.895 1.00 0.00 C ATOM 355 C ILE A 24 7.067 -4.982 -6.763 1.00 0.00 C ATOM 356 O ILE A 24 8.194 -5.284 -6.373 1.00 0.00 O ATOM 357 CB ILE A 24 7.016 -4.576 -9.293 1.00 0.00 C ATOM 358 CG1 ILE A 24 6.529 -3.598 -10.364 1.00 0.00 C ATOM 359 CG2 ILE A 24 6.295 -5.923 -9.376 1.00 0.00 C ATOM 360 CD1 ILE A 24 5.010 -3.673 -10.525 1.00 0.00 C ATOM 0 H ILE A 24 8.794 -3.110 -7.955 1.00 0.00 H new ATOM 0 HA ILE A 24 5.860 -3.599 -7.829 1.00 0.00 H new ATOM 0 HB ILE A 24 8.072 -4.764 -9.485 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.820 -2.583 -10.094 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.011 -3.825 -11.315 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.405 -6.333 -10.380 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.729 -6.613 -8.652 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.237 -5.783 -9.155 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.690 -2.968 -11.292 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.725 -4.683 -10.819 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.531 -3.421 -9.579 1.00 0.00 H new ATOM 372 N VAL A 25 5.943 -5.479 -6.268 1.00 0.00 N ATOM 373 CA VAL A 25 5.966 -6.452 -5.190 1.00 0.00 C ATOM 374 C VAL A 25 4.813 -7.440 -5.375 1.00 0.00 C ATOM 375 O VAL A 25 3.796 -7.106 -5.982 1.00 0.00 O ATOM 376 CB VAL A 25 5.928 -5.736 -3.838 1.00 0.00 C ATOM 377 CG1 VAL A 25 7.105 -4.768 -3.698 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.595 -5.012 -3.638 1.00 0.00 C ATOM 0 H VAL A 25 5.010 -5.226 -6.594 1.00 0.00 H new ATOM 0 HA VAL A 25 6.893 -7.026 -5.214 1.00 0.00 H new ATOM 0 HB VAL A 25 6.019 -6.490 -3.056 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.055 -4.272 -2.729 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.042 -5.320 -3.775 1.00 0.00 H new ATOM 0 HG13 VAL A 25 7.058 -4.021 -4.491 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.594 -4.512 -2.670 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.460 -4.273 -4.428 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.780 -5.735 -3.673 1.00 0.00 H new ATOM 388 N ARG A 26 5.009 -8.637 -4.841 1.00 0.00 N ATOM 389 CA ARG A 26 3.998 -9.675 -4.940 1.00 0.00 C ATOM 390 C ARG A 26 3.351 -9.918 -3.575 1.00 0.00 C ATOM 391 O ARG A 26 3.973 -10.494 -2.683 1.00 0.00 O ATOM 392 CB ARG A 26 4.602 -10.985 -5.451 1.00 0.00 C ATOM 393 CG ARG A 26 4.006 -11.372 -6.805 1.00 0.00 C ATOM 394 CD ARG A 26 5.065 -12.004 -7.711 1.00 0.00 C ATOM 395 NE ARG A 26 4.419 -12.889 -8.705 1.00 0.00 N ATOM 396 CZ ARG A 26 5.060 -13.454 -9.737 1.00 0.00 C ATOM 397 NH1 ARG A 26 6.369 -13.230 -9.916 1.00 0.00 N ATOM 398 NH2 ARG A 26 4.393 -14.244 -10.590 1.00 0.00 N ATOM 0 H ARG A 26 5.853 -8.911 -4.338 1.00 0.00 H new ATOM 0 HA ARG A 26 3.243 -9.336 -5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.683 -10.880 -5.542 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.419 -11.780 -4.728 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.184 -12.072 -6.657 1.00 0.00 H new ATOM 0 HG3 ARG A 26 3.589 -10.489 -7.289 1.00 0.00 H new ATOM 0 HD2 ARG A 26 5.632 -11.224 -8.220 1.00 0.00 H new ATOM 0 HD3 ARG A 26 5.775 -12.574 -7.112 1.00 0.00 H new ATOM 0 HE ARG A 26 3.423 -13.081 -8.598 1.00 0.00 H new ATOM 0 HH11 ARG A 26 6.877 -12.630 -9.267 1.00 0.00 H new ATOM 0 HH12 ARG A 26 6.857 -13.660 -10.702 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.397 -14.415 -10.454 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.882 -14.674 -11.375 1.00 0.00 H new ATOM 412 N VAL A 27 2.111 -9.468 -3.455 1.00 0.00 N ATOM 413 CA VAL A 27 1.373 -9.629 -2.213 1.00 0.00 C ATOM 414 C VAL A 27 -0.018 -10.187 -2.521 1.00 0.00 C ATOM 415 O VAL A 27 -0.427 -10.240 -3.679 1.00 0.00 O ATOM 416 CB VAL A 27 1.330 -8.301 -1.454 1.00 0.00 C ATOM 417 CG1 VAL A 27 2.626 -8.074 -0.673 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.051 -7.135 -2.404 1.00 0.00 C ATOM 0 H VAL A 27 1.598 -8.992 -4.197 1.00 0.00 H new ATOM 0 HA VAL A 27 1.874 -10.345 -1.561 1.00 0.00 H new ATOM 0 HB VAL A 27 0.511 -8.352 -0.737 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.569 -7.123 -0.143 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.765 -8.882 0.045 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.469 -8.054 -1.364 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.026 -6.203 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 27 1.838 -7.082 -3.156 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.090 -7.288 -2.895 1.00 0.00 H new ATOM 428 N SER A 28 -0.706 -10.590 -1.463 1.00 0.00 N ATOM 429 CA SER A 28 -2.042 -11.142 -1.605 1.00 0.00 C ATOM 430 C SER A 28 -3.072 -10.012 -1.667 1.00 0.00 C ATOM 431 O SER A 28 -3.039 -9.092 -0.852 1.00 0.00 O ATOM 432 CB SER A 28 -2.369 -12.095 -0.454 1.00 0.00 C ATOM 433 OG SER A 28 -2.860 -13.349 -0.922 1.00 0.00 O ATOM 0 H SER A 28 -0.363 -10.545 -0.503 1.00 0.00 H new ATOM 0 HA SER A 28 -2.080 -11.711 -2.534 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.475 -12.257 0.147 1.00 0.00 H new ATOM 0 HB3 SER A 28 -3.112 -11.635 0.198 1.00 0.00 H new ATOM 0 HG SER A 28 -3.055 -13.930 -0.157 1.00 0.00 H new ATOM 439 N PRO A 29 -3.986 -10.122 -2.668 1.00 0.00 N ATOM 440 CA PRO A 29 -5.023 -9.120 -2.848 1.00 0.00 C ATOM 441 C PRO A 29 -6.116 -9.267 -1.787 1.00 0.00 C ATOM 442 O PRO A 29 -7.042 -8.459 -1.729 1.00 0.00 O ATOM 443 CB PRO A 29 -5.536 -9.334 -4.263 1.00 0.00 C ATOM 444 CG PRO A 29 -5.097 -10.735 -4.658 1.00 0.00 C ATOM 445 CD PRO A 29 -4.055 -11.198 -3.653 1.00 0.00 C ATOM 0 HA PRO A 29 -4.652 -8.103 -2.723 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.621 -9.239 -4.304 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -5.125 -8.589 -4.944 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.949 -11.414 -4.665 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.682 -10.735 -5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -4.344 -12.141 -3.189 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -3.089 -11.360 -4.131 1.00 0.00 H new ATOM 453 N HIS A 30 -5.972 -10.303 -0.974 1.00 0.00 N ATOM 454 CA HIS A 30 -6.935 -10.566 0.081 1.00 0.00 C ATOM 455 C HIS A 30 -6.574 -9.747 1.322 1.00 0.00 C ATOM 456 O HIS A 30 -7.339 -8.881 1.743 1.00 0.00 O ATOM 457 CB HIS A 30 -7.031 -12.066 0.368 1.00 0.00 C ATOM 458 CG HIS A 30 -7.657 -12.866 -0.750 1.00 0.00 C ATOM 459 ND1 HIS A 30 -8.995 -12.763 -1.087 1.00 0.00 N ATOM 460 CD2 HIS A 30 -7.113 -13.781 -1.603 1.00 0.00 C ATOM 461 CE1 HIS A 30 -9.235 -13.585 -2.099 1.00 0.00 C ATOM 462 NE2 HIS A 30 -8.068 -14.215 -2.416 1.00 0.00 N ATOM 0 H HIS A 30 -5.202 -10.970 -1.025 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.928 -10.253 -0.242 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -6.031 -12.453 0.562 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.613 -12.215 1.278 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -6.081 -14.098 -1.615 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -10.188 -13.730 -2.587 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -7.949 -14.906 -3.156 1.00 0.00 H new ATOM 470 N ALA A 31 -5.407 -10.050 1.872 1.00 0.00 N ATOM 471 CA ALA A 31 -4.934 -9.353 3.056 1.00 0.00 C ATOM 472 C ALA A 31 -5.259 -7.863 2.928 1.00 0.00 C ATOM 473 O ALA A 31 -5.303 -7.326 1.822 1.00 0.00 O ATOM 474 CB ALA A 31 -3.437 -9.610 3.236 1.00 0.00 C ATOM 0 H ALA A 31 -4.775 -10.769 1.519 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.438 -9.725 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -3.082 -9.087 4.124 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.263 -10.680 3.351 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.898 -9.246 2.361 1.00 0.00 H new ATOM 480 N SER A 32 -5.477 -7.237 4.076 1.00 0.00 N ATOM 481 CA SER A 32 -5.795 -5.820 4.106 1.00 0.00 C ATOM 482 C SER A 32 -4.516 -4.993 3.967 1.00 0.00 C ATOM 483 O SER A 32 -3.448 -5.415 4.408 1.00 0.00 O ATOM 484 CB SER A 32 -6.530 -5.448 5.396 1.00 0.00 C ATOM 485 OG SER A 32 -6.222 -6.342 6.462 1.00 0.00 O ATOM 0 H SER A 32 -5.440 -7.685 4.991 1.00 0.00 H new ATOM 0 HA SER A 32 -6.455 -5.600 3.267 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.262 -4.432 5.686 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.605 -5.455 5.216 1.00 0.00 H new ATOM 0 HG SER A 32 -6.709 -6.070 7.268 1.00 0.00 H new ATOM 491 N LEU A 33 -4.666 -3.829 3.352 1.00 0.00 N ATOM 492 CA LEU A 33 -3.535 -2.938 3.149 1.00 0.00 C ATOM 493 C LEU A 33 -2.791 -2.757 4.474 1.00 0.00 C ATOM 494 O LEU A 33 -1.567 -2.634 4.490 1.00 0.00 O ATOM 495 CB LEU A 33 -3.996 -1.623 2.517 1.00 0.00 C ATOM 496 CG LEU A 33 -4.399 -1.692 1.043 1.00 0.00 C ATOM 497 CD1 LEU A 33 -5.279 -0.502 0.659 1.00 0.00 C ATOM 498 CD2 LEU A 33 -3.168 -1.809 0.143 1.00 0.00 C ATOM 0 H LEU A 33 -5.553 -3.482 2.988 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.828 -3.373 2.443 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.845 -1.247 3.088 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -3.194 -0.893 2.620 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.994 -2.593 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.551 -0.576 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.183 -0.506 1.269 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.731 0.425 0.828 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.483 -1.856 -0.900 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.526 -0.940 0.289 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.616 -2.714 0.397 1.00 0.00 H new ATOM 510 N GLN A 34 -3.560 -2.746 5.552 1.00 0.00 N ATOM 511 CA GLN A 34 -2.989 -2.581 6.878 1.00 0.00 C ATOM 512 C GLN A 34 -1.848 -3.578 7.091 1.00 0.00 C ATOM 513 O GLN A 34 -0.864 -3.267 7.761 1.00 0.00 O ATOM 514 CB GLN A 34 -4.060 -2.733 7.959 1.00 0.00 C ATOM 515 CG GLN A 34 -3.435 -3.128 9.299 1.00 0.00 C ATOM 516 CD GLN A 34 -4.417 -2.903 10.450 1.00 0.00 C ATOM 517 OE1 GLN A 34 -5.474 -2.313 10.292 1.00 0.00 O ATOM 518 NE2 GLN A 34 -4.012 -3.404 11.613 1.00 0.00 N ATOM 0 H GLN A 34 -4.575 -2.849 5.535 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.583 -1.572 6.956 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -4.605 -1.796 8.070 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -4.784 -3.489 7.655 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.137 -4.176 9.270 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.530 -2.544 9.469 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -3.116 -3.887 11.676 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -4.598 -3.306 12.442 1.00 0.00 H new ATOM 527 N GLU A 35 -2.019 -4.757 6.510 1.00 0.00 N ATOM 528 CA GLU A 35 -1.016 -5.802 6.629 1.00 0.00 C ATOM 529 C GLU A 35 -0.010 -5.705 5.480 1.00 0.00 C ATOM 530 O GLU A 35 1.117 -6.185 5.594 1.00 0.00 O ATOM 531 CB GLU A 35 -1.668 -7.185 6.672 1.00 0.00 C ATOM 532 CG GLU A 35 -1.845 -7.663 8.115 1.00 0.00 C ATOM 533 CD GLU A 35 -0.581 -8.362 8.620 1.00 0.00 C ATOM 534 OE1 GLU A 35 -0.420 -9.555 8.286 1.00 0.00 O ATOM 535 OE2 GLU A 35 0.196 -7.686 9.328 1.00 0.00 O ATOM 0 H GLU A 35 -2.837 -5.011 5.956 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.481 -5.660 7.568 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.638 -7.149 6.175 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.054 -7.898 6.122 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.076 -6.813 8.757 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.691 -8.347 8.174 1.00 0.00 H new ATOM 542 N LEU A 36 -0.454 -5.081 4.398 1.00 0.00 N ATOM 543 CA LEU A 36 0.393 -4.916 3.230 1.00 0.00 C ATOM 544 C LEU A 36 1.056 -3.537 3.277 1.00 0.00 C ATOM 545 O LEU A 36 1.663 -3.103 2.299 1.00 0.00 O ATOM 546 CB LEU A 36 -0.405 -5.171 1.949 1.00 0.00 C ATOM 547 CG LEU A 36 -1.046 -6.555 1.823 1.00 0.00 C ATOM 548 CD1 LEU A 36 -2.028 -6.599 0.651 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.021 -7.646 1.719 1.00 0.00 C ATOM 0 H LEU A 36 -1.389 -4.684 4.307 1.00 0.00 H new ATOM 0 HA LEU A 36 1.193 -5.656 3.232 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.192 -4.420 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.257 -5.020 1.096 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.618 -6.751 2.730 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.470 -7.593 0.583 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.816 -5.862 0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.500 -6.373 -0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.461 -8.619 1.630 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.640 -7.467 0.840 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.646 -7.630 2.612 1.00 0.00 H new ATOM 561 N ALA A 37 0.916 -2.887 4.423 1.00 0.00 N ATOM 562 CA ALA A 37 1.493 -1.567 4.610 1.00 0.00 C ATOM 563 C ALA A 37 3.008 -1.697 4.778 1.00 0.00 C ATOM 564 O ALA A 37 3.772 -1.000 4.112 1.00 0.00 O ATOM 565 CB ALA A 37 0.830 -0.885 5.808 1.00 0.00 C ATOM 0 H ALA A 37 0.411 -3.250 5.231 1.00 0.00 H new ATOM 0 HA ALA A 37 1.310 -0.941 3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.263 0.105 5.948 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.241 -0.791 5.626 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.995 -1.483 6.704 1.00 0.00 H new ATOM 571 N PRO A 38 3.408 -2.619 5.695 1.00 0.00 N ATOM 572 CA PRO A 38 4.818 -2.849 5.959 1.00 0.00 C ATOM 573 C PRO A 38 5.465 -3.646 4.824 1.00 0.00 C ATOM 574 O PRO A 38 6.566 -3.321 4.381 1.00 0.00 O ATOM 575 CB PRO A 38 4.855 -3.577 7.292 1.00 0.00 C ATOM 576 CG PRO A 38 3.458 -4.138 7.500 1.00 0.00 C ATOM 577 CD PRO A 38 2.531 -3.463 6.501 1.00 0.00 C ATOM 0 HA PRO A 38 5.393 -1.924 6.010 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.598 -4.374 7.281 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.128 -2.898 8.100 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.455 -5.218 7.354 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.120 -3.953 8.520 1.00 0.00 H new ATOM 0 HD2 PRO A 38 2.011 -4.196 5.885 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.767 -2.872 7.006 1.00 0.00 H new ATOM 585 N ILE A 39 4.755 -4.675 4.387 1.00 0.00 N ATOM 586 CA ILE A 39 5.246 -5.521 3.313 1.00 0.00 C ATOM 587 C ILE A 39 5.538 -4.659 2.083 1.00 0.00 C ATOM 588 O ILE A 39 6.382 -5.011 1.260 1.00 0.00 O ATOM 589 CB ILE A 39 4.268 -6.667 3.043 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.317 -7.706 4.165 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.522 -7.293 1.670 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.916 -7.986 4.714 1.00 0.00 C ATOM 0 H ILE A 39 3.843 -4.942 4.757 1.00 0.00 H new ATOM 0 HA ILE A 39 6.184 -5.995 3.601 1.00 0.00 H new ATOM 0 HB ILE A 39 3.258 -6.257 3.028 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.756 -8.631 3.791 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.962 -7.349 4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.814 -8.105 1.503 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.395 -6.536 0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.538 -7.685 1.631 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.979 -8.728 5.510 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.489 -7.064 5.110 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.281 -8.366 3.914 1.00 0.00 H new ATOM 604 N ILE A 40 4.824 -3.547 1.997 1.00 0.00 N ATOM 605 CA ILE A 40 4.995 -2.632 0.881 1.00 0.00 C ATOM 606 C ILE A 40 6.070 -1.601 1.234 1.00 0.00 C ATOM 607 O ILE A 40 7.086 -1.499 0.550 1.00 0.00 O ATOM 608 CB ILE A 40 3.654 -2.011 0.485 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.785 -3.020 -0.269 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.860 -0.722 -0.312 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.353 -2.504 -0.421 1.00 0.00 C ATOM 0 H ILE A 40 4.125 -3.258 2.682 1.00 0.00 H new ATOM 0 HA ILE A 40 5.343 -3.169 -0.002 1.00 0.00 H new ATOM 0 HB ILE A 40 3.119 -1.743 1.396 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.213 -3.210 -1.253 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.778 -3.970 0.265 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.891 -0.302 -0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.412 -0.004 0.294 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.424 -0.941 -1.218 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.756 -3.240 -0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.920 -2.338 0.565 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.361 -1.566 -0.976 1.00 0.00 H new ATOM 623 N CYS A 41 5.807 -0.861 2.302 1.00 0.00 N ATOM 624 CA CYS A 41 6.738 0.158 2.754 1.00 0.00 C ATOM 625 C CYS A 41 8.128 -0.474 2.859 1.00 0.00 C ATOM 626 O CYS A 41 9.105 0.079 2.355 1.00 0.00 O ATOM 627 CB CYS A 41 6.294 0.784 4.077 1.00 0.00 C ATOM 628 SG CYS A 41 5.488 2.398 3.767 1.00 0.00 S ATOM 0 H CYS A 41 4.962 -0.947 2.867 1.00 0.00 H new ATOM 0 HA CYS A 41 6.765 0.975 2.033 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.603 0.116 4.591 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.155 0.918 4.732 1.00 0.00 H new ATOM 0 HG CYS A 41 4.927 2.820 4.861 1.00 0.00 H new ATOM 634 N SER A 42 8.172 -1.622 3.518 1.00 0.00 N ATOM 635 CA SER A 42 9.426 -2.335 3.696 1.00 0.00 C ATOM 636 C SER A 42 10.098 -2.558 2.340 1.00 0.00 C ATOM 637 O SER A 42 11.303 -2.354 2.200 1.00 0.00 O ATOM 638 CB SER A 42 9.203 -3.673 4.405 1.00 0.00 C ATOM 639 OG SER A 42 10.427 -4.365 4.636 1.00 0.00 O ATOM 0 H SER A 42 7.360 -2.077 3.935 1.00 0.00 H new ATOM 0 HA SER A 42 10.079 -1.727 4.322 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.699 -3.500 5.356 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.542 -4.297 3.803 1.00 0.00 H new ATOM 0 HG SER A 42 10.243 -5.213 5.091 1.00 0.00 H new ATOM 645 N LYS A 43 9.290 -2.974 1.376 1.00 0.00 N ATOM 646 CA LYS A 43 9.792 -3.226 0.036 1.00 0.00 C ATOM 647 C LYS A 43 10.445 -1.954 -0.508 1.00 0.00 C ATOM 648 O LYS A 43 11.469 -2.019 -1.186 1.00 0.00 O ATOM 649 CB LYS A 43 8.679 -3.777 -0.858 1.00 0.00 C ATOM 650 CG LYS A 43 8.452 -5.267 -0.596 1.00 0.00 C ATOM 651 CD LYS A 43 9.262 -6.125 -1.571 1.00 0.00 C ATOM 652 CE LYS A 43 8.689 -7.541 -1.661 1.00 0.00 C ATOM 653 NZ LYS A 43 9.674 -8.460 -2.273 1.00 0.00 N ATOM 0 H LYS A 43 8.291 -3.143 1.496 1.00 0.00 H new ATOM 0 HA LYS A 43 10.563 -3.996 0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.756 -3.227 -0.676 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.940 -3.624 -1.905 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.737 -5.507 0.428 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.392 -5.500 -0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.257 -5.663 -2.558 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.301 -6.169 -1.245 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.421 -7.895 -0.666 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.774 -7.533 -2.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.270 -9.417 -2.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.909 -8.129 -3.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.537 -8.481 -1.692 1.00 0.00 H new ATOM 667 N CYS A 44 9.826 -0.827 -0.189 1.00 0.00 N ATOM 668 CA CYS A 44 10.335 0.458 -0.637 1.00 0.00 C ATOM 669 C CYS A 44 11.148 1.077 0.501 1.00 0.00 C ATOM 670 O CYS A 44 11.405 2.280 0.504 1.00 0.00 O ATOM 671 CB CYS A 44 9.206 1.383 -1.100 1.00 0.00 C ATOM 672 SG CYS A 44 9.463 1.857 -2.849 1.00 0.00 S ATOM 0 H CYS A 44 8.977 -0.777 0.374 1.00 0.00 H new ATOM 0 HA CYS A 44 10.978 0.314 -1.505 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.245 0.881 -0.988 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.175 2.275 -0.474 1.00 0.00 H new ATOM 0 HG CYS A 44 9.129 3.102 -3.015 1.00 0.00 H new ATOM 678 N GLU A 45 11.531 0.226 1.442 1.00 0.00 N ATOM 679 CA GLU A 45 12.311 0.674 2.584 1.00 0.00 C ATOM 680 C GLU A 45 11.738 1.980 3.138 1.00 0.00 C ATOM 681 O GLU A 45 12.486 2.857 3.567 1.00 0.00 O ATOM 682 CB GLU A 45 13.786 0.836 2.211 1.00 0.00 C ATOM 683 CG GLU A 45 14.438 -0.523 1.949 1.00 0.00 C ATOM 684 CD GLU A 45 15.900 -0.358 1.530 1.00 0.00 C ATOM 685 OE1 GLU A 45 16.677 0.150 2.367 1.00 0.00 O ATOM 686 OE2 GLU A 45 16.208 -0.743 0.381 1.00 0.00 O ATOM 0 H GLU A 45 11.316 -0.771 1.437 1.00 0.00 H new ATOM 0 HA GLU A 45 12.249 -0.086 3.363 1.00 0.00 H new ATOM 0 HB2 GLU A 45 13.874 1.462 1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.314 1.348 3.016 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.381 -1.137 2.848 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.889 -1.049 1.168 1.00 0.00 H new ATOM 693 N PHE A 46 10.416 2.068 3.110 1.00 0.00 N ATOM 694 CA PHE A 46 9.735 3.253 3.604 1.00 0.00 C ATOM 695 C PHE A 46 9.352 3.091 5.077 1.00 0.00 C ATOM 696 O PHE A 46 9.407 1.988 5.618 1.00 0.00 O ATOM 697 CB PHE A 46 8.461 3.415 2.773 1.00 0.00 C ATOM 698 CG PHE A 46 8.610 4.368 1.585 1.00 0.00 C ATOM 699 CD1 PHE A 46 9.840 4.611 1.059 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.512 4.971 1.055 1.00 0.00 C ATOM 701 CE1 PHE A 46 9.979 5.496 -0.043 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.651 5.856 -0.047 1.00 0.00 C ATOM 703 CZ PHE A 46 8.881 6.099 -0.573 1.00 0.00 C ATOM 0 H PHE A 46 9.799 1.339 2.753 1.00 0.00 H new ATOM 0 HA PHE A 46 10.389 4.121 3.520 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.153 2.437 2.404 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.662 3.778 3.419 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.711 4.131 1.479 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.535 4.777 1.472 1.00 0.00 H new ATOM 0 HE1 PHE A 46 10.956 5.690 -0.460 1.00 0.00 H new ATOM 0 HE2 PHE A 46 6.780 6.336 -0.467 1.00 0.00 H new ATOM 0 HZ PHE A 46 8.986 6.771 -1.412 1.00 0.00 H new ATOM 713 N ASP A 47 8.972 4.206 5.682 1.00 0.00 N ATOM 714 CA ASP A 47 8.580 4.202 7.082 1.00 0.00 C ATOM 715 C ASP A 47 7.053 4.195 7.179 1.00 0.00 C ATOM 716 O ASP A 47 6.399 5.165 6.800 1.00 0.00 O ATOM 717 CB ASP A 47 9.094 5.450 7.801 1.00 0.00 C ATOM 718 CG ASP A 47 10.509 5.332 8.371 1.00 0.00 C ATOM 719 OD1 ASP A 47 11.407 4.955 7.587 1.00 0.00 O ATOM 720 OD2 ASP A 47 10.661 5.621 9.578 1.00 0.00 O ATOM 0 H ASP A 47 8.927 5.119 5.229 1.00 0.00 H new ATOM 0 HA ASP A 47 9.007 3.315 7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 47 9.068 6.288 7.105 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.410 5.690 8.615 1.00 0.00 H new ATOM 725 N PRO A 48 6.516 3.061 7.702 1.00 0.00 N ATOM 726 CA PRO A 48 5.078 2.915 7.854 1.00 0.00 C ATOM 727 C PRO A 48 4.565 3.743 9.033 1.00 0.00 C ATOM 728 O PRO A 48 3.366 3.764 9.307 1.00 0.00 O ATOM 729 CB PRO A 48 4.851 1.423 8.033 1.00 0.00 C ATOM 730 CG PRO A 48 6.196 0.842 8.440 1.00 0.00 C ATOM 731 CD PRO A 48 7.260 1.892 8.162 1.00 0.00 C ATOM 0 HA PRO A 48 4.524 3.288 6.993 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.096 1.232 8.796 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.493 0.969 7.109 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.192 0.573 9.496 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.404 -0.070 7.880 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.837 2.118 9.059 1.00 0.00 H new ATOM 0 HD3 PRO A 48 7.966 1.549 7.406 1.00 0.00 H new ATOM 739 N LEU A 49 5.498 4.407 9.700 1.00 0.00 N ATOM 740 CA LEU A 49 5.154 5.236 10.843 1.00 0.00 C ATOM 741 C LEU A 49 4.300 6.415 10.375 1.00 0.00 C ATOM 742 O LEU A 49 3.347 6.802 11.048 1.00 0.00 O ATOM 743 CB LEU A 49 6.416 5.652 11.601 1.00 0.00 C ATOM 744 CG LEU A 49 6.756 4.827 12.843 1.00 0.00 C ATOM 745 CD1 LEU A 49 8.249 4.913 13.168 1.00 0.00 C ATOM 746 CD2 LEU A 49 5.886 5.240 14.032 1.00 0.00 C ATOM 0 H LEU A 49 6.492 4.388 9.471 1.00 0.00 H new ATOM 0 HA LEU A 49 4.553 4.672 11.556 1.00 0.00 H new ATOM 0 HB2 LEU A 49 7.261 5.603 10.914 1.00 0.00 H new ATOM 0 HB3 LEU A 49 6.309 6.695 11.900 1.00 0.00 H new ATOM 0 HG LEU A 49 6.533 3.782 12.629 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.463 4.317 14.055 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.827 4.531 12.327 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.522 5.952 13.354 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.149 4.638 14.902 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.053 6.293 14.256 1.00 0.00 H new ATOM 0 HD23 LEU A 49 4.836 5.084 13.786 1.00 0.00 H new ATOM 758 N HIS A 50 4.674 6.954 9.223 1.00 0.00 N ATOM 759 CA HIS A 50 3.954 8.082 8.657 1.00 0.00 C ATOM 760 C HIS A 50 3.750 7.860 7.157 1.00 0.00 C ATOM 761 O HIS A 50 4.199 8.663 6.340 1.00 0.00 O ATOM 762 CB HIS A 50 4.671 9.397 8.969 1.00 0.00 C ATOM 763 CG HIS A 50 5.582 9.329 10.172 1.00 0.00 C ATOM 764 ND1 HIS A 50 5.305 9.984 11.360 1.00 0.00 N ATOM 765 CD2 HIS A 50 6.765 8.677 10.359 1.00 0.00 C ATOM 766 CE1 HIS A 50 6.285 9.731 12.215 1.00 0.00 C ATOM 767 NE2 HIS A 50 7.189 8.922 11.593 1.00 0.00 N ATOM 0 H HIS A 50 5.466 6.630 8.667 1.00 0.00 H new ATOM 0 HA HIS A 50 2.968 8.155 9.116 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.256 9.695 8.099 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.926 10.175 9.134 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.271 8.065 9.627 1.00 0.00 H new ATOM 0 HE1 HIS A 50 6.355 10.101 13.227 1.00 0.00 H new ATOM 0 HE2 HIS A 50 8.049 8.564 12.007 1.00 0.00 H new ATOM 775 N THR A 51 3.073 6.766 6.840 1.00 0.00 N ATOM 776 CA THR A 51 2.805 6.428 5.452 1.00 0.00 C ATOM 777 C THR A 51 1.297 6.334 5.209 1.00 0.00 C ATOM 778 O THR A 51 0.548 5.904 6.085 1.00 0.00 O ATOM 779 CB THR A 51 3.554 5.135 5.127 1.00 0.00 C ATOM 780 OG1 THR A 51 4.909 5.549 4.969 1.00 0.00 O ATOM 781 CG2 THR A 51 3.176 4.567 3.757 1.00 0.00 C ATOM 0 H THR A 51 2.702 6.102 7.520 1.00 0.00 H new ATOM 0 HA THR A 51 3.164 7.206 4.779 1.00 0.00 H new ATOM 0 HB THR A 51 3.347 4.392 5.897 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.342 5.595 5.847 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.736 3.650 3.576 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.108 4.350 3.735 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.414 5.296 2.983 1.00 0.00 H new ATOM 789 N LEU A 52 0.896 6.744 4.014 1.00 0.00 N ATOM 790 CA LEU A 52 -0.508 6.711 3.644 1.00 0.00 C ATOM 791 C LEU A 52 -0.673 5.900 2.357 1.00 0.00 C ATOM 792 O LEU A 52 0.298 5.658 1.642 1.00 0.00 O ATOM 793 CB LEU A 52 -1.071 8.130 3.553 1.00 0.00 C ATOM 794 CG LEU A 52 -1.780 8.653 4.804 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.462 9.994 4.529 1.00 0.00 C ATOM 796 CD2 LEU A 52 -2.760 7.614 5.353 1.00 0.00 C ATOM 0 H LEU A 52 1.520 7.101 3.290 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.093 6.209 4.414 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.253 8.809 3.313 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.772 8.168 2.720 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.029 8.827 5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.958 10.342 5.435 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.715 10.725 4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.200 9.871 3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.251 8.011 6.242 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.510 7.386 4.596 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.218 6.705 5.613 1.00 0.00 H new ATOM 808 N LEU A 53 -1.911 5.502 2.100 1.00 0.00 N ATOM 809 CA LEU A 53 -2.216 4.724 0.912 1.00 0.00 C ATOM 810 C LEU A 53 -3.347 5.404 0.138 1.00 0.00 C ATOM 811 O LEU A 53 -4.490 5.424 0.593 1.00 0.00 O ATOM 812 CB LEU A 53 -2.514 3.270 1.286 1.00 0.00 C ATOM 813 CG LEU A 53 -1.348 2.479 1.882 1.00 0.00 C ATOM 814 CD1 LEU A 53 -1.780 1.056 2.244 1.00 0.00 C ATOM 815 CD2 LEU A 53 -0.141 2.489 0.942 1.00 0.00 C ATOM 0 H LEU A 53 -2.714 5.704 2.695 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.352 4.688 0.248 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.337 3.261 2.001 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.862 2.750 0.393 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.040 2.968 2.806 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.933 0.515 2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.586 1.096 2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.129 0.543 1.348 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.674 1.920 1.390 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.418 2.038 -0.011 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.183 3.517 0.776 1.00 0.00 H new ATOM 827 N LEU A 54 -2.989 5.944 -1.017 1.00 0.00 N ATOM 828 CA LEU A 54 -3.960 6.624 -1.858 1.00 0.00 C ATOM 829 C LEU A 54 -4.367 5.700 -3.008 1.00 0.00 C ATOM 830 O LEU A 54 -3.746 4.660 -3.224 1.00 0.00 O ATOM 831 CB LEU A 54 -3.415 7.976 -2.321 1.00 0.00 C ATOM 832 CG LEU A 54 -2.868 8.890 -1.222 1.00 0.00 C ATOM 833 CD1 LEU A 54 -3.975 9.298 -0.247 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.684 8.238 -0.505 1.00 0.00 C ATOM 0 H LEU A 54 -2.040 5.925 -1.391 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.864 6.848 -1.291 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.621 7.797 -3.046 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.210 8.506 -2.845 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.498 9.803 -1.689 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.560 9.947 0.524 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.757 9.831 -0.787 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.397 8.407 0.218 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.314 8.908 0.271 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.005 7.300 -0.052 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.888 8.040 -1.223 1.00 0.00 H new ATOM 846 N LYS A 55 -5.409 6.112 -3.715 1.00 0.00 N ATOM 847 CA LYS A 55 -5.907 5.334 -4.837 1.00 0.00 C ATOM 848 C LYS A 55 -4.759 5.057 -5.809 1.00 0.00 C ATOM 849 O LYS A 55 -4.391 3.904 -6.029 1.00 0.00 O ATOM 850 CB LYS A 55 -7.105 6.032 -5.483 1.00 0.00 C ATOM 851 CG LYS A 55 -8.175 6.362 -4.441 1.00 0.00 C ATOM 852 CD LYS A 55 -9.348 5.384 -4.530 1.00 0.00 C ATOM 853 CE LYS A 55 -10.272 5.740 -5.696 1.00 0.00 C ATOM 854 NZ LYS A 55 -11.406 6.566 -5.226 1.00 0.00 N ATOM 0 H LYS A 55 -5.922 6.974 -3.533 1.00 0.00 H new ATOM 0 HA LYS A 55 -6.277 4.367 -4.496 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.776 6.948 -5.974 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -7.530 5.392 -6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.739 6.323 -3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -8.534 7.380 -4.593 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.971 4.369 -4.657 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.911 5.400 -3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -9.712 6.281 -6.459 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -10.647 4.829 -6.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -12.023 6.798 -6.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -11.949 6.037 -4.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -11.044 7.444 -4.802 1.00 0.00 H new ATOM 868 N ASP A 56 -4.224 6.134 -6.366 1.00 0.00 N ATOM 869 CA ASP A 56 -3.125 6.021 -7.310 1.00 0.00 C ATOM 870 C ASP A 56 -2.251 7.273 -7.219 1.00 0.00 C ATOM 871 O ASP A 56 -2.488 8.141 -6.380 1.00 0.00 O ATOM 872 CB ASP A 56 -3.642 5.908 -8.746 1.00 0.00 C ATOM 873 CG ASP A 56 -4.978 6.605 -9.009 1.00 0.00 C ATOM 874 OD1 ASP A 56 -5.988 6.125 -8.450 1.00 0.00 O ATOM 875 OD2 ASP A 56 -4.959 7.601 -9.763 1.00 0.00 O ATOM 0 H ASP A 56 -4.531 7.089 -6.182 1.00 0.00 H new ATOM 0 HA ASP A 56 -2.556 5.126 -7.060 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -2.893 6.325 -9.420 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -3.744 4.852 -8.997 1.00 0.00 H new ATOM 880 N TYR A 57 -1.258 7.327 -8.095 1.00 0.00 N ATOM 881 CA TYR A 57 -0.347 8.458 -8.124 1.00 0.00 C ATOM 882 C TYR A 57 -1.102 9.764 -8.378 1.00 0.00 C ATOM 883 O TYR A 57 -0.565 10.849 -8.159 1.00 0.00 O ATOM 884 CB TYR A 57 0.608 8.201 -9.292 1.00 0.00 C ATOM 885 CG TYR A 57 1.260 9.466 -9.854 1.00 0.00 C ATOM 886 CD1 TYR A 57 2.446 9.927 -9.319 1.00 0.00 C ATOM 887 CD2 TYR A 57 0.662 10.146 -10.895 1.00 0.00 C ATOM 888 CE1 TYR A 57 3.059 11.118 -9.848 1.00 0.00 C ATOM 889 CE2 TYR A 57 1.275 11.336 -11.424 1.00 0.00 C ATOM 890 CZ TYR A 57 2.443 11.764 -10.874 1.00 0.00 C ATOM 891 OH TYR A 57 3.022 12.888 -11.374 1.00 0.00 O ATOM 0 H TYR A 57 -1.065 6.606 -8.790 1.00 0.00 H new ATOM 0 HA TYR A 57 0.173 8.555 -7.171 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.390 7.517 -8.964 1.00 0.00 H new ATOM 0 HB3 TYR A 57 0.061 7.701 -10.091 1.00 0.00 H new ATOM 0 HD1 TYR A 57 2.914 9.395 -8.504 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.266 9.785 -11.313 1.00 0.00 H new ATOM 0 HE1 TYR A 57 3.987 11.490 -9.439 1.00 0.00 H new ATOM 0 HE2 TYR A 57 0.818 11.877 -12.239 1.00 0.00 H new ATOM 0 HH TYR A 57 2.472 13.242 -12.104 1.00 0.00 H new ATOM 901 N GLN A 58 -2.337 9.617 -8.835 1.00 0.00 N ATOM 902 CA GLN A 58 -3.172 10.772 -9.121 1.00 0.00 C ATOM 903 C GLN A 58 -4.605 10.521 -8.647 1.00 0.00 C ATOM 904 O GLN A 58 -5.426 9.994 -9.396 1.00 0.00 O ATOM 905 CB GLN A 58 -3.139 11.117 -10.611 1.00 0.00 C ATOM 906 CG GLN A 58 -1.831 11.817 -10.983 1.00 0.00 C ATOM 907 CD GLN A 58 -2.038 13.326 -11.127 1.00 0.00 C ATOM 908 OE1 GLN A 58 -2.868 13.795 -11.888 1.00 0.00 O ATOM 909 NE2 GLN A 58 -1.239 14.058 -10.355 1.00 0.00 N ATOM 0 H GLN A 58 -2.780 8.716 -9.014 1.00 0.00 H new ATOM 0 HA GLN A 58 -2.774 11.628 -8.575 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -3.249 10.207 -11.201 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.983 11.761 -10.858 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -1.079 11.621 -10.218 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -1.449 11.408 -11.918 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -0.566 13.601 -9.740 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -1.300 15.076 -10.378 1.00 0.00 H new ATOM 918 N SER A 59 -4.861 10.909 -7.407 1.00 0.00 N ATOM 919 CA SER A 59 -6.180 10.733 -6.824 1.00 0.00 C ATOM 920 C SER A 59 -6.353 11.668 -5.626 1.00 0.00 C ATOM 921 O SER A 59 -7.349 12.384 -5.531 1.00 0.00 O ATOM 922 CB SER A 59 -6.406 9.280 -6.401 1.00 0.00 C ATOM 923 OG SER A 59 -7.584 9.130 -5.613 1.00 0.00 O ATOM 0 H SER A 59 -4.177 11.345 -6.789 1.00 0.00 H new ATOM 0 HA SER A 59 -6.924 10.983 -7.581 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.481 8.652 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.544 8.929 -5.834 1.00 0.00 H new ATOM 0 HG SER A 59 -8.313 8.795 -6.175 1.00 0.00 H new ATOM 929 N GLN A 60 -5.367 11.632 -4.741 1.00 0.00 N ATOM 930 CA GLN A 60 -5.398 12.467 -3.552 1.00 0.00 C ATOM 931 C GLN A 60 -6.497 11.995 -2.599 1.00 0.00 C ATOM 932 O GLN A 60 -7.017 12.780 -1.808 1.00 0.00 O ATOM 933 CB GLN A 60 -5.588 13.940 -3.922 1.00 0.00 C ATOM 934 CG GLN A 60 -4.524 14.396 -4.923 1.00 0.00 C ATOM 935 CD GLN A 60 -3.137 14.415 -4.278 1.00 0.00 C ATOM 936 OE1 GLN A 60 -2.852 15.190 -3.380 1.00 0.00 O ATOM 937 NE2 GLN A 60 -2.293 13.521 -4.784 1.00 0.00 N ATOM 0 H GLN A 60 -4.542 11.038 -4.824 1.00 0.00 H new ATOM 0 HA GLN A 60 -4.439 12.375 -3.042 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -6.580 14.086 -4.349 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -5.534 14.554 -3.023 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -4.519 13.728 -5.784 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -4.771 15.391 -5.293 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.596 12.902 -5.536 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.342 13.454 -4.421 1.00 0.00 H new ATOM 946 N GLU A 61 -6.819 10.714 -2.707 1.00 0.00 N ATOM 947 CA GLU A 61 -7.847 10.127 -1.864 1.00 0.00 C ATOM 948 C GLU A 61 -7.286 8.926 -1.101 1.00 0.00 C ATOM 949 O GLU A 61 -6.744 8.001 -1.704 1.00 0.00 O ATOM 950 CB GLU A 61 -9.072 9.729 -2.690 1.00 0.00 C ATOM 951 CG GLU A 61 -10.348 10.339 -2.108 1.00 0.00 C ATOM 952 CD GLU A 61 -11.567 9.977 -2.959 1.00 0.00 C ATOM 953 OE1 GLU A 61 -12.008 8.812 -2.852 1.00 0.00 O ATOM 954 OE2 GLU A 61 -12.031 10.873 -3.697 1.00 0.00 O ATOM 0 H GLU A 61 -6.386 10.066 -3.365 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.166 10.876 -1.139 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.943 10.061 -3.720 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.162 8.643 -2.713 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.493 9.983 -1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -10.246 11.423 -2.055 1.00 0.00 H new ATOM 961 N PRO A 62 -7.440 8.980 0.249 1.00 0.00 N ATOM 962 CA PRO A 62 -6.955 7.907 1.101 1.00 0.00 C ATOM 963 C PRO A 62 -7.867 6.682 1.012 1.00 0.00 C ATOM 964 O PRO A 62 -9.089 6.814 0.968 1.00 0.00 O ATOM 965 CB PRO A 62 -6.902 8.507 2.497 1.00 0.00 C ATOM 966 CG PRO A 62 -7.793 9.738 2.456 1.00 0.00 C ATOM 967 CD PRO A 62 -8.077 10.059 0.998 1.00 0.00 C ATOM 0 HA PRO A 62 -5.973 7.542 0.800 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -7.255 7.794 3.242 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.881 8.773 2.769 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.723 9.554 2.995 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.303 10.580 2.944 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.149 10.097 0.803 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.667 11.030 0.719 1.00 0.00 H new ATOM 975 N LEU A 63 -7.237 5.516 0.988 1.00 0.00 N ATOM 976 CA LEU A 63 -7.976 4.268 0.905 1.00 0.00 C ATOM 977 C LEU A 63 -8.302 3.778 2.317 1.00 0.00 C ATOM 978 O LEU A 63 -7.948 4.427 3.300 1.00 0.00 O ATOM 979 CB LEU A 63 -7.210 3.247 0.061 1.00 0.00 C ATOM 980 CG LEU A 63 -6.693 3.746 -1.289 1.00 0.00 C ATOM 981 CD1 LEU A 63 -5.316 3.155 -1.601 1.00 0.00 C ATOM 982 CD2 LEU A 63 -7.704 3.462 -2.402 1.00 0.00 C ATOM 0 H LEU A 63 -6.223 5.410 1.025 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.926 4.421 0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -6.361 2.888 0.643 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.860 2.390 -0.116 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.574 4.828 -1.231 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.971 3.526 -2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.609 3.450 -0.825 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.386 2.068 -1.634 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -7.312 3.827 -3.351 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.878 2.388 -2.470 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.643 3.969 -2.179 1.00 0.00 H new ATOM 994 N ASP A 64 -8.975 2.638 2.373 1.00 0.00 N ATOM 995 CA ASP A 64 -9.353 2.054 3.649 1.00 0.00 C ATOM 996 C ASP A 64 -8.488 0.820 3.916 1.00 0.00 C ATOM 997 O ASP A 64 -8.654 -0.211 3.267 1.00 0.00 O ATOM 998 CB ASP A 64 -10.817 1.611 3.639 1.00 0.00 C ATOM 999 CG ASP A 64 -11.753 2.456 4.506 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -11.265 3.474 5.043 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -12.936 2.065 4.611 1.00 0.00 O ATOM 0 H ASP A 64 -9.268 2.103 1.555 1.00 0.00 H new ATOM 0 HA ASP A 64 -9.210 2.809 4.422 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -11.180 1.631 2.612 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.870 0.576 3.975 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.584 0.967 4.873 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.693 -0.122 5.234 1.00 0.00 C ATOM 1008 C LEU A 65 -7.517 -1.383 5.503 1.00 0.00 C ATOM 1009 O LEU A 65 -7.179 -2.464 5.025 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.794 0.286 6.404 1.00 0.00 C ATOM 1011 CG LEU A 65 -4.986 1.570 6.212 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -4.291 1.980 7.512 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.996 1.427 5.054 1.00 0.00 C ATOM 0 H LEU A 65 -7.449 1.824 5.410 1.00 0.00 H new ATOM 0 HA LEU A 65 -6.019 -0.351 4.409 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.416 0.401 7.292 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.100 -0.530 6.605 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.676 2.372 5.949 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.723 2.896 7.348 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.039 2.150 8.286 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.615 1.186 7.829 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.434 2.354 4.939 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.307 0.609 5.263 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.541 1.216 4.134 1.00 0.00 H new ATOM 1025 N THR A 66 -8.585 -1.201 6.267 1.00 0.00 N ATOM 1026 CA THR A 66 -9.461 -2.310 6.605 1.00 0.00 C ATOM 1027 C THR A 66 -9.809 -3.116 5.351 1.00 0.00 C ATOM 1028 O THR A 66 -9.944 -4.337 5.412 1.00 0.00 O ATOM 1029 CB THR A 66 -10.687 -1.742 7.322 1.00 0.00 C ATOM 1030 OG1 THR A 66 -11.160 -0.722 6.447 1.00 0.00 O ATOM 1031 CG2 THR A 66 -10.321 -0.993 8.604 1.00 0.00 C ATOM 0 H THR A 66 -8.863 -0.302 6.661 1.00 0.00 H new ATOM 0 HA THR A 66 -8.969 -3.012 7.278 1.00 0.00 H new ATOM 0 HB THR A 66 -11.376 -2.553 7.560 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.956 -0.302 6.835 1.00 0.00 H new ATOM 0 HG21 THR A 66 -11.227 -0.610 9.073 1.00 0.00 H new ATOM 0 HG22 THR A 66 -9.816 -1.672 9.291 1.00 0.00 H new ATOM 0 HG23 THR A 66 -9.658 -0.162 8.363 1.00 0.00 H new ATOM 1039 N LYS A 67 -9.943 -2.399 4.245 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.273 -3.032 2.979 1.00 0.00 C ATOM 1041 C LYS A 67 -9.027 -3.722 2.419 1.00 0.00 C ATOM 1042 O LYS A 67 -7.985 -3.753 3.071 1.00 0.00 O ATOM 1043 CB LYS A 67 -10.898 -2.018 2.019 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.165 -1.404 2.619 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.400 -1.792 1.805 1.00 0.00 C ATOM 1046 CE LYS A 67 -14.595 -2.067 2.719 1.00 0.00 C ATOM 1047 NZ LYS A 67 -15.720 -1.163 2.389 1.00 0.00 N ATOM 0 H LYS A 67 -9.829 -1.386 4.199 1.00 0.00 H new ATOM 0 HA LYS A 67 -11.028 -3.805 3.125 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.178 -1.230 1.797 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.138 -2.506 1.074 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.284 -1.740 3.649 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.070 -0.319 2.647 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.647 -0.991 1.108 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.183 -2.678 1.208 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -14.911 -3.105 2.612 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.303 -1.929 3.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -16.523 -1.363 3.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -15.420 -0.175 2.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -16.009 -1.314 1.401 1.00 0.00 H new ATOM 1061 N SER A 68 -9.177 -4.259 1.217 1.00 0.00 N ATOM 1062 CA SER A 68 -8.077 -4.946 0.562 1.00 0.00 C ATOM 1063 C SER A 68 -8.091 -4.645 -0.938 1.00 0.00 C ATOM 1064 O SER A 68 -9.054 -4.080 -1.452 1.00 0.00 O ATOM 1065 CB SER A 68 -8.150 -6.455 0.801 1.00 0.00 C ATOM 1066 OG SER A 68 -9.496 -6.920 0.870 1.00 0.00 O ATOM 0 H SER A 68 -10.044 -4.232 0.680 1.00 0.00 H new ATOM 0 HA SER A 68 -7.143 -4.582 0.990 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.627 -6.975 -0.002 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.633 -6.701 1.729 1.00 0.00 H new ATOM 0 HG SER A 68 -9.500 -7.888 1.022 1.00 0.00 H new ATOM 1072 N LEU A 69 -7.010 -5.036 -1.597 1.00 0.00 N ATOM 1073 CA LEU A 69 -6.886 -4.815 -3.028 1.00 0.00 C ATOM 1074 C LEU A 69 -8.123 -5.373 -3.735 1.00 0.00 C ATOM 1075 O LEU A 69 -8.535 -4.856 -4.772 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.568 -5.393 -3.547 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.303 -4.616 -3.178 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.251 -3.273 -3.909 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.186 -4.447 -1.661 1.00 0.00 C ATOM 0 H LEU A 69 -6.212 -5.504 -1.167 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.848 -3.748 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.468 -6.411 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.626 -5.459 -4.633 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.439 -5.195 -3.506 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.342 -2.741 -3.629 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.254 -3.444 -4.985 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.120 -2.675 -3.634 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.278 -3.891 -1.426 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.053 -3.901 -1.288 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.144 -5.428 -1.188 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.679 -6.421 -3.146 1.00 0.00 N ATOM 1092 CA ASN A 70 -9.861 -7.055 -3.707 1.00 0.00 C ATOM 1093 C ASN A 70 -11.074 -6.149 -3.484 1.00 0.00 C ATOM 1094 O ASN A 70 -11.737 -5.749 -4.440 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.141 -8.396 -3.027 1.00 0.00 C ATOM 1096 CG ASN A 70 -10.018 -9.552 -4.023 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -10.449 -9.473 -5.161 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -9.407 -10.626 -3.532 1.00 0.00 N ATOM 0 H ASN A 70 -8.334 -6.847 -2.286 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.684 -7.220 -4.770 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.441 -8.544 -2.204 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.142 -8.387 -2.596 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.275 -11.450 -4.118 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.070 -10.625 -2.569 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.327 -5.853 -2.218 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.449 -5.003 -1.858 1.00 0.00 C ATOM 1107 C ASP A 71 -12.381 -3.707 -2.668 1.00 0.00 C ATOM 1108 O ASP A 71 -13.401 -3.217 -3.149 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.407 -4.635 -0.373 1.00 0.00 C ATOM 1110 CG ASP A 71 -13.712 -4.875 0.389 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -14.755 -4.397 -0.108 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -13.637 -5.530 1.451 1.00 0.00 O ATOM 0 H ASP A 71 -10.774 -6.187 -1.428 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.368 -5.550 -2.068 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.613 -5.208 0.106 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.139 -3.582 -0.282 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.168 -3.188 -2.794 1.00 0.00 N ATOM 1118 CA LEU A 72 -10.954 -1.958 -3.538 1.00 0.00 C ATOM 1119 C LEU A 72 -11.118 -2.236 -5.033 1.00 0.00 C ATOM 1120 O LEU A 72 -11.991 -1.662 -5.683 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.603 -1.340 -3.172 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.417 -0.955 -1.703 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -7.956 -1.111 -1.276 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -9.944 0.456 -1.435 1.00 0.00 C ATOM 0 H LEU A 72 -10.324 -3.597 -2.394 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.703 -1.214 -3.268 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.818 -2.045 -3.444 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.457 -0.449 -3.782 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.006 -1.640 -1.093 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -7.851 -0.831 -0.228 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.647 -2.148 -1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.327 -0.465 -1.889 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -9.800 0.705 -0.384 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.402 1.171 -2.055 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.006 0.499 -1.676 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.266 -3.117 -5.536 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.306 -3.478 -6.943 1.00 0.00 C ATOM 1138 C GLY A 73 -9.183 -2.787 -7.719 1.00 0.00 C ATOM 1139 O GLY A 73 -9.284 -2.600 -8.930 1.00 0.00 O ATOM 0 H GLY A 73 -9.544 -3.592 -4.994 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.213 -4.559 -7.047 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.271 -3.199 -7.366 1.00 0.00 H new ATOM 1143 N LEU A 74 -8.137 -2.428 -6.988 1.00 0.00 N ATOM 1144 CA LEU A 74 -6.996 -1.761 -7.593 1.00 0.00 C ATOM 1145 C LEU A 74 -5.806 -2.722 -7.620 1.00 0.00 C ATOM 1146 O LEU A 74 -5.734 -3.650 -6.816 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.704 -0.442 -6.875 1.00 0.00 C ATOM 1148 CG LEU A 74 -7.892 0.508 -6.709 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -7.591 1.586 -5.666 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.305 1.111 -8.054 1.00 0.00 C ATOM 0 H LEU A 74 -8.056 -2.586 -5.984 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.215 -1.493 -8.627 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.305 -0.670 -5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -5.920 0.081 -7.422 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.741 -0.068 -6.341 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.452 2.248 -5.568 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.384 1.115 -4.705 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.723 2.165 -5.981 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.151 1.782 -7.907 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.468 1.669 -8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.590 0.312 -8.739 1.00 0.00 H new ATOM 1162 N ARG A 75 -4.901 -2.467 -8.554 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.718 -3.298 -8.697 1.00 0.00 C ATOM 1164 C ARG A 75 -2.466 -2.510 -8.307 1.00 0.00 C ATOM 1165 O ARG A 75 -1.430 -3.096 -7.996 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.569 -3.802 -10.134 1.00 0.00 C ATOM 1167 CG ARG A 75 -4.295 -5.135 -10.325 1.00 0.00 C ATOM 1168 CD ARG A 75 -3.405 -6.309 -9.912 1.00 0.00 C ATOM 1169 NE ARG A 75 -3.702 -7.490 -10.752 1.00 0.00 N ATOM 1170 CZ ARG A 75 -4.861 -8.163 -10.719 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -5.837 -7.775 -9.888 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -5.043 -9.223 -11.518 1.00 0.00 N ATOM 0 H ARG A 75 -4.964 -1.696 -9.219 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.833 -4.156 -8.034 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -3.971 -3.062 -10.826 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.512 -3.922 -10.374 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.210 -5.142 -9.733 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -4.589 -5.247 -11.369 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.355 -6.034 -10.015 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -3.570 -6.549 -8.862 1.00 0.00 H new ATOM 0 HE ARG A 75 -2.980 -7.812 -11.396 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -5.698 -6.968 -9.280 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -6.719 -8.287 -9.863 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.300 -9.518 -12.151 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -5.925 -9.735 -11.493 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.602 -1.192 -8.337 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.494 -0.317 -7.992 1.00 0.00 C ATOM 1188 C GLU A 76 -1.944 0.732 -6.973 1.00 0.00 C ATOM 1189 O GLU A 76 -3.107 1.132 -6.962 1.00 0.00 O ATOM 1190 CB GLU A 76 -0.909 0.346 -9.240 1.00 0.00 C ATOM 1191 CG GLU A 76 -1.851 1.425 -9.779 1.00 0.00 C ATOM 1192 CD GLU A 76 -2.628 0.917 -10.995 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -2.959 -0.288 -10.994 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -2.874 1.745 -11.898 1.00 0.00 O ATOM 0 H GLU A 76 -3.463 -0.709 -8.595 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.707 -0.921 -7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 76 0.058 0.788 -9.002 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -0.735 -0.407 -10.009 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.548 1.727 -8.998 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.277 2.310 -10.054 1.00 0.00 H new ATOM 1201 N LEU A 77 -1.000 1.146 -6.141 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.285 2.141 -5.121 1.00 0.00 C ATOM 1203 C LEU A 77 -0.086 3.081 -4.983 1.00 0.00 C ATOM 1204 O LEU A 77 1.000 2.785 -5.479 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.689 1.463 -3.810 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.836 0.267 -3.383 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.021 0.594 -2.131 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.699 -0.982 -3.194 1.00 0.00 C ATOM 0 H LEU A 77 -0.037 0.811 -6.152 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.138 2.753 -5.413 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.659 2.208 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.724 1.133 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.127 0.051 -4.182 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.576 -0.273 -1.849 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.638 1.438 -2.336 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.696 0.851 -1.314 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.068 -1.818 -2.891 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.447 -0.794 -2.424 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.197 -1.226 -4.132 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.323 4.195 -4.307 1.00 0.00 N ATOM 1221 CA TYR A 78 0.724 5.181 -4.097 1.00 0.00 C ATOM 1222 C TYR A 78 1.037 5.339 -2.608 1.00 0.00 C ATOM 1223 O TYR A 78 0.142 5.257 -1.769 1.00 0.00 O ATOM 1224 CB TYR A 78 0.171 6.503 -4.633 1.00 0.00 C ATOM 1225 CG TYR A 78 1.083 7.706 -4.381 1.00 0.00 C ATOM 1226 CD1 TYR A 78 2.180 7.922 -5.191 1.00 0.00 C ATOM 1227 CD2 TYR A 78 0.808 8.575 -3.345 1.00 0.00 C ATOM 1228 CE1 TYR A 78 3.038 9.054 -4.954 1.00 0.00 C ATOM 1229 CE2 TYR A 78 1.666 9.707 -3.108 1.00 0.00 C ATOM 1230 CZ TYR A 78 2.739 9.891 -3.924 1.00 0.00 C ATOM 1231 OH TYR A 78 3.549 10.960 -3.701 1.00 0.00 O ATOM 0 H TYR A 78 -1.225 4.437 -3.897 1.00 0.00 H new ATOM 0 HA TYR A 78 1.643 4.878 -4.598 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.002 6.406 -5.705 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.799 6.693 -4.173 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.395 7.242 -6.002 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -0.051 8.406 -2.712 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.899 9.234 -5.580 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.462 10.395 -2.300 1.00 0.00 H new ATOM 0 HH TYR A 78 3.214 11.470 -2.935 1.00 0.00 H new ATOM 1241 N ALA A 79 2.312 5.563 -2.325 1.00 0.00 N ATOM 1242 CA ALA A 79 2.755 5.734 -0.952 1.00 0.00 C ATOM 1243 C ALA A 79 3.153 7.194 -0.726 1.00 0.00 C ATOM 1244 O ALA A 79 4.153 7.660 -1.270 1.00 0.00 O ATOM 1245 CB ALA A 79 3.904 4.765 -0.662 1.00 0.00 C ATOM 0 H ALA A 79 3.052 5.630 -3.023 1.00 0.00 H new ATOM 0 HA ALA A 79 1.948 5.501 -0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.237 4.893 0.368 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.562 3.741 -0.808 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.733 4.971 -1.339 1.00 0.00 H new ATOM 1251 N MET A 80 2.349 7.875 0.077 1.00 0.00 N ATOM 1252 CA MET A 80 2.604 9.273 0.381 1.00 0.00 C ATOM 1253 C MET A 80 3.374 9.416 1.696 1.00 0.00 C ATOM 1254 O MET A 80 2.957 8.887 2.725 1.00 0.00 O ATOM 1255 CB MET A 80 1.275 10.024 0.483 1.00 0.00 C ATOM 1256 CG MET A 80 1.506 11.510 0.769 1.00 0.00 C ATOM 1257 SD MET A 80 0.129 12.176 1.688 1.00 0.00 S ATOM 1258 CE MET A 80 -1.204 11.808 0.560 1.00 0.00 C ATOM 0 H MET A 80 1.521 7.485 0.526 1.00 0.00 H new ATOM 0 HA MET A 80 3.209 9.696 -0.421 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.717 9.911 -0.447 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.666 9.588 1.275 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.429 11.641 1.335 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.626 12.055 -0.167 1.00 0.00 H new ATOM 0 HE1 MET A 80 -1.844 12.684 0.454 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.793 11.539 -0.413 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.791 10.976 0.949 1.00 0.00 H new ATOM 1268 N ASP A 81 4.485 10.134 1.618 1.00 0.00 N ATOM 1269 CA ASP A 81 5.317 10.354 2.789 1.00 0.00 C ATOM 1270 C ASP A 81 4.898 11.659 3.470 1.00 0.00 C ATOM 1271 O ASP A 81 5.130 12.743 2.937 1.00 0.00 O ATOM 1272 CB ASP A 81 6.792 10.475 2.401 1.00 0.00 C ATOM 1273 CG ASP A 81 7.730 9.499 3.113 1.00 0.00 C ATOM 1274 OD1 ASP A 81 7.248 8.399 3.459 1.00 0.00 O ATOM 1275 OD2 ASP A 81 8.909 9.874 3.294 1.00 0.00 O ATOM 0 H ASP A 81 4.828 10.571 0.762 1.00 0.00 H new ATOM 0 HA ASP A 81 5.189 9.504 3.459 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.883 10.323 1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.125 11.492 2.609 1.00 0.00 H new