USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 605 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 18 ASN : amide:sc= 0.758 K(o=1.8,f=-6.6!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ 155:sc= 1.02 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot -8:sc= 0.325 USER MOD Single : A 42 MET CE :methyl -174:sc= 0 (180deg=-0.0534) USER MOD Single : A 43 LYS NZ :NH3+ -144:sc= 0.709 (180deg=0.0686) USER MOD Single : A 47 THR OG1 : rot -49:sc= 0.219 USER MOD Single : A 48 ASN : amide:sc= 0.0872 X(o=0.087,f=-0.033) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot -33:sc= 1.21 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 177:sc= 0.703 (180deg=0.692) USER MOD Single : A 71 MET CE :methyl 147:sc= -0.716 (180deg=-3.55!) USER MOD Single : A 72 ASN : amide:sc= 0.257 X(o=0.26,f=-0.23) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 SER OG : rot 180:sc= 0.0261 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N GLY A 10 -3.066 9.565 1.016 1.00 0.00 N ATOM 134 CA GLY A 10 -1.678 9.230 0.718 1.00 0.00 C ATOM 135 C GLY A 10 -1.196 7.965 1.435 1.00 0.00 C ATOM 136 O GLY A 10 -0.010 7.781 1.705 1.00 0.00 O ATOM 0 HA2 GLY A 10 -1.566 9.095 -0.358 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.040 10.067 1.002 1.00 0.00 H new ATOM 140 N LYS A 11 -2.120 7.075 1.777 1.00 0.00 N ATOM 141 CA LYS A 11 -1.915 5.758 2.322 1.00 0.00 C ATOM 142 C LYS A 11 -2.836 4.822 1.551 1.00 0.00 C ATOM 143 O LYS A 11 -3.973 5.207 1.271 1.00 0.00 O ATOM 144 CB LYS A 11 -2.281 5.778 3.811 1.00 0.00 C ATOM 145 CG LYS A 11 -1.228 6.464 4.687 1.00 0.00 C ATOM 146 CD LYS A 11 -1.312 6.030 6.163 1.00 0.00 C ATOM 147 CE LYS A 11 -2.223 6.917 7.011 1.00 0.00 C ATOM 148 NZ LYS A 11 -1.546 8.171 7.400 1.00 0.00 N ATOM 0 H LYS A 11 -3.112 7.284 1.667 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.880 5.429 2.231 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.236 6.289 3.936 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.420 4.754 4.157 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -0.235 6.236 4.301 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.355 7.545 4.622 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.672 5.002 6.211 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.310 6.037 6.593 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.129 7.150 6.452 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -2.530 6.375 7.906 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.191 8.750 7.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -0.694 7.948 7.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.275 8.699 6.546 1.00 0.00 H new ATOM 162 N LEU A 12 -2.369 3.610 1.247 1.00 0.00 N ATOM 163 CA LEU A 12 -3.213 2.559 0.689 1.00 0.00 C ATOM 164 C LEU A 12 -3.275 1.391 1.669 1.00 0.00 C ATOM 165 O LEU A 12 -2.634 1.409 2.723 1.00 0.00 O ATOM 166 CB LEU A 12 -2.704 2.117 -0.695 1.00 0.00 C ATOM 167 CG LEU A 12 -2.870 3.158 -1.823 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.459 2.526 -3.158 1.00 0.00 C ATOM 169 CD2 LEU A 12 -4.301 3.685 -1.981 1.00 0.00 C ATOM 0 H LEU A 12 -1.397 3.332 1.381 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.222 2.945 0.543 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.648 1.862 -0.611 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.229 1.207 -0.983 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.237 4.001 -1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.575 3.258 -3.958 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.418 2.208 -3.105 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.092 1.662 -3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.334 4.411 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.971 2.856 -2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.617 4.163 -1.054 1.00 0.00 H new ATOM 181 N PHE A 13 -4.048 0.361 1.349 1.00 0.00 N ATOM 182 CA PHE A 13 -4.145 -0.886 2.095 1.00 0.00 C ATOM 183 C PHE A 13 -4.015 -2.022 1.084 1.00 0.00 C ATOM 184 O PHE A 13 -4.654 -1.952 0.036 1.00 0.00 O ATOM 185 CB PHE A 13 -5.486 -0.922 2.841 1.00 0.00 C ATOM 186 CG PHE A 13 -5.688 -2.159 3.696 1.00 0.00 C ATOM 187 CD1 PHE A 13 -6.141 -3.359 3.114 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.416 -2.108 5.077 1.00 0.00 C ATOM 189 CE1 PHE A 13 -6.293 -4.509 3.907 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.561 -3.261 5.865 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.992 -4.464 5.279 1.00 0.00 C ATOM 0 H PHE A 13 -4.651 0.373 0.526 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.359 -0.982 2.844 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.560 -0.039 3.476 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.296 -0.860 2.114 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -6.371 -3.395 2.059 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.096 -1.181 5.530 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.642 -5.429 3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.341 -3.224 6.922 1.00 0.00 H new ATOM 0 HZ PHE A 13 -6.092 -5.354 5.883 1.00 0.00 H new ATOM 201 N ILE A 14 -3.162 -3.013 1.355 1.00 0.00 N ATOM 202 CA ILE A 14 -2.778 -4.040 0.396 1.00 0.00 C ATOM 203 C ILE A 14 -2.856 -5.376 1.142 1.00 0.00 C ATOM 204 O ILE A 14 -2.154 -5.583 2.132 1.00 0.00 O ATOM 205 CB ILE A 14 -1.381 -3.714 -0.194 1.00 0.00 C ATOM 206 CG1 ILE A 14 -1.243 -2.281 -0.772 1.00 0.00 C ATOM 207 CG2 ILE A 14 -1.083 -4.676 -1.339 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.648 -1.264 0.199 1.00 0.00 C ATOM 0 H ILE A 14 -2.713 -3.122 2.265 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.440 -4.089 -0.468 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.688 -3.807 0.642 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.619 -2.321 -1.665 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.227 -1.933 -1.086 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.102 -4.451 -1.757 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.092 -5.700 -0.966 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.842 -4.566 -2.114 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.587 -0.290 -0.286 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.282 -1.190 1.083 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.351 -1.585 0.495 1.00 0.00 H new ATOM 220 N GLY A 15 -3.739 -6.279 0.706 1.00 0.00 N ATOM 221 CA GLY A 15 -3.855 -7.620 1.274 1.00 0.00 C ATOM 222 C GLY A 15 -3.987 -8.659 0.172 1.00 0.00 C ATOM 223 O GLY A 15 -4.523 -8.355 -0.886 1.00 0.00 O ATOM 0 H GLY A 15 -4.395 -6.097 -0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.979 -7.839 1.885 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.722 -7.668 1.932 1.00 0.00 H new ATOM 227 N GLY A 16 -3.459 -9.865 0.355 1.00 0.00 N ATOM 228 CA GLY A 16 -3.500 -10.921 -0.661 1.00 0.00 C ATOM 229 C GLY A 16 -2.140 -11.172 -1.315 1.00 0.00 C ATOM 230 O GLY A 16 -2.055 -11.858 -2.335 1.00 0.00 O ATOM 0 H GLY A 16 -2.987 -10.143 1.216 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.853 -11.845 -0.203 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.223 -10.650 -1.430 1.00 0.00 H new ATOM 234 N LEU A 17 -1.083 -10.581 -0.761 1.00 0.00 N ATOM 235 CA LEU A 17 0.279 -10.662 -1.264 1.00 0.00 C ATOM 236 C LEU A 17 0.839 -12.075 -1.161 1.00 0.00 C ATOM 237 O LEU A 17 0.246 -12.978 -0.564 1.00 0.00 O ATOM 238 CB LEU A 17 1.211 -9.684 -0.520 1.00 0.00 C ATOM 239 CG LEU A 17 0.828 -8.200 -0.583 1.00 0.00 C ATOM 240 CD1 LEU A 17 0.624 -7.784 -2.042 1.00 0.00 C ATOM 241 CD2 LEU A 17 -0.376 -7.867 0.294 1.00 0.00 C ATOM 0 H LEU A 17 -1.159 -10.012 0.082 1.00 0.00 H new ATOM 0 HA LEU A 17 0.238 -10.383 -2.317 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.254 -9.982 0.528 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.217 -9.795 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 17 1.651 -7.616 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.352 -6.729 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.548 -7.943 -2.598 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.173 -8.383 -2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.603 -6.804 0.212 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.237 -8.449 -0.034 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.148 -8.110 1.332 1.00 0.00 H new ATOM 253 N ASN A 18 2.015 -12.244 -1.751 1.00 0.00 N ATOM 254 CA ASN A 18 2.767 -13.483 -1.764 1.00 0.00 C ATOM 255 C ASN A 18 3.689 -13.583 -0.544 1.00 0.00 C ATOM 256 O ASN A 18 3.680 -12.695 0.310 1.00 0.00 O ATOM 257 CB ASN A 18 3.562 -13.518 -3.068 1.00 0.00 C ATOM 258 CG ASN A 18 3.813 -14.925 -3.556 1.00 0.00 C ATOM 259 OD1 ASN A 18 3.450 -15.901 -2.909 1.00 0.00 O ATOM 260 ND2 ASN A 18 4.382 -15.041 -4.730 1.00 0.00 N ATOM 0 H ASN A 18 2.486 -11.490 -2.252 1.00 0.00 H new ATOM 0 HA ASN A 18 2.094 -14.339 -1.710 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.021 -12.962 -3.834 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.516 -13.012 -2.921 1.00 0.00 H new ATOM 0 HD21 ASN A 18 4.535 -15.965 -5.133 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.672 -14.207 -5.241 1.00 0.00 H new ATOM 267 N THR A 19 4.496 -14.642 -0.451 1.00 0.00 N ATOM 268 CA THR A 19 5.300 -14.938 0.730 1.00 0.00 C ATOM 269 C THR A 19 6.814 -14.762 0.531 1.00 0.00 C ATOM 270 O THR A 19 7.560 -15.017 1.472 1.00 0.00 O ATOM 271 CB THR A 19 4.890 -16.305 1.321 1.00 0.00 C ATOM 272 OG1 THR A 19 4.562 -17.281 0.341 1.00 0.00 O ATOM 273 CG2 THR A 19 3.626 -16.126 2.168 1.00 0.00 C ATOM 0 H THR A 19 4.609 -15.323 -1.202 1.00 0.00 H new ATOM 0 HA THR A 19 5.074 -14.176 1.476 1.00 0.00 H new ATOM 0 HB THR A 19 5.754 -16.650 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.314 -18.119 0.784 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.331 -17.087 2.588 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.826 -15.423 2.976 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.821 -15.741 1.543 1.00 0.00 H new ATOM 281 N GLU A 20 7.298 -14.247 -0.606 1.00 0.00 N ATOM 282 CA GLU A 20 8.736 -14.046 -0.843 1.00 0.00 C ATOM 283 C GLU A 20 9.035 -12.643 -1.408 1.00 0.00 C ATOM 284 O GLU A 20 10.097 -12.410 -1.987 1.00 0.00 O ATOM 285 CB GLU A 20 9.253 -15.184 -1.739 1.00 0.00 C ATOM 286 CG GLU A 20 10.768 -15.404 -1.596 1.00 0.00 C ATOM 287 CD GLU A 20 11.254 -16.498 -2.540 1.00 0.00 C ATOM 288 OE1 GLU A 20 11.486 -16.196 -3.737 1.00 0.00 O ATOM 289 OE2 GLU A 20 11.416 -17.655 -2.092 1.00 0.00 O ATOM 0 H GLU A 20 6.708 -13.958 -1.386 1.00 0.00 H new ATOM 0 HA GLU A 20 9.274 -14.086 0.104 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.730 -16.107 -1.487 1.00 0.00 H new ATOM 0 HB3 GLU A 20 9.018 -14.958 -2.779 1.00 0.00 H new ATOM 0 HG2 GLU A 20 11.296 -14.474 -1.809 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.004 -15.676 -0.567 1.00 0.00 H new ATOM 296 N THR A 21 8.115 -11.684 -1.280 1.00 0.00 N ATOM 297 CA THR A 21 8.298 -10.347 -1.825 1.00 0.00 C ATOM 298 C THR A 21 9.223 -9.559 -0.879 1.00 0.00 C ATOM 299 O THR A 21 9.525 -10.019 0.236 1.00 0.00 O ATOM 300 CB THR A 21 6.904 -9.723 -2.043 1.00 0.00 C ATOM 301 OG1 THR A 21 6.058 -10.676 -2.680 1.00 0.00 O ATOM 302 CG2 THR A 21 6.943 -8.474 -2.931 1.00 0.00 C ATOM 0 H THR A 21 7.227 -11.817 -0.796 1.00 0.00 H new ATOM 0 HA THR A 21 8.790 -10.344 -2.798 1.00 0.00 H new ATOM 0 HB THR A 21 6.532 -9.436 -1.060 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.170 -10.284 -2.819 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.934 -8.079 -3.048 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.577 -7.718 -2.468 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.346 -8.736 -3.909 1.00 0.00 H new ATOM 310 N ASN A 22 9.679 -8.375 -1.302 1.00 0.00 N ATOM 311 CA ASN A 22 10.458 -7.463 -0.480 1.00 0.00 C ATOM 312 C ASN A 22 10.000 -6.020 -0.675 1.00 0.00 C ATOM 313 O ASN A 22 9.311 -5.688 -1.636 1.00 0.00 O ATOM 314 CB ASN A 22 11.956 -7.519 -0.819 1.00 0.00 C ATOM 315 CG ASN A 22 12.622 -8.825 -0.478 1.00 0.00 C ATOM 316 OD1 ASN A 22 13.301 -8.929 0.541 1.00 0.00 O ATOM 317 ND2 ASN A 22 12.494 -9.825 -1.314 1.00 0.00 N ATOM 0 H ASN A 22 9.510 -8.024 -2.245 1.00 0.00 H new ATOM 0 HA ASN A 22 10.301 -7.781 0.551 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.082 -7.328 -1.885 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.467 -6.715 -0.288 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.963 -10.711 -1.125 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.926 -9.718 -2.154 1.00 0.00 H new ATOM 324 N GLU A 23 10.449 -5.133 0.206 1.00 0.00 N ATOM 325 CA GLU A 23 10.183 -3.693 0.160 1.00 0.00 C ATOM 326 C GLU A 23 10.754 -3.089 -1.117 1.00 0.00 C ATOM 327 O GLU A 23 10.075 -2.348 -1.821 1.00 0.00 O ATOM 328 CB GLU A 23 10.779 -2.988 1.387 1.00 0.00 C ATOM 329 CG GLU A 23 10.111 -3.461 2.683 1.00 0.00 C ATOM 330 CD GLU A 23 11.051 -3.985 3.774 1.00 0.00 C ATOM 331 OE1 GLU A 23 12.205 -3.519 3.895 1.00 0.00 O ATOM 332 OE2 GLU A 23 10.645 -4.873 4.556 1.00 0.00 O ATOM 0 H GLU A 23 11.029 -5.402 1.001 1.00 0.00 H new ATOM 0 HA GLU A 23 9.103 -3.547 0.169 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.850 -3.183 1.436 1.00 0.00 H new ATOM 0 HB3 GLU A 23 10.656 -1.910 1.285 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.536 -2.632 3.095 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.400 -4.249 2.435 1.00 0.00 H new ATOM 339 N LYS A 24 11.977 -3.472 -1.482 1.00 0.00 N ATOM 340 CA LYS A 24 12.568 -3.028 -2.746 1.00 0.00 C ATOM 341 C LYS A 24 11.689 -3.362 -3.953 1.00 0.00 C ATOM 342 O LYS A 24 11.684 -2.610 -4.927 1.00 0.00 O ATOM 343 CB LYS A 24 13.994 -3.561 -2.932 1.00 0.00 C ATOM 344 CG LYS A 24 14.112 -5.097 -2.926 1.00 0.00 C ATOM 345 CD LYS A 24 15.373 -5.549 -3.675 1.00 0.00 C ATOM 346 CE LYS A 24 16.622 -5.606 -2.796 1.00 0.00 C ATOM 347 NZ LYS A 24 16.786 -6.924 -2.152 1.00 0.00 N ATOM 0 H LYS A 24 12.575 -4.084 -0.926 1.00 0.00 H new ATOM 0 HA LYS A 24 12.628 -1.941 -2.687 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.388 -3.183 -3.875 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.624 -3.158 -2.139 1.00 0.00 H new ATOM 0 HG2 LYS A 24 14.144 -5.460 -1.899 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.230 -5.536 -3.392 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.196 -6.535 -4.104 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.555 -4.868 -4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 24 17.501 -5.386 -3.401 1.00 0.00 H new ATOM 0 HE3 LYS A 24 16.561 -4.833 -2.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.645 -6.919 -1.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 15.959 -7.123 -1.554 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 16.870 -7.659 -2.883 1.00 0.00 H new ATOM 361 N ALA A 25 10.940 -4.469 -3.912 1.00 0.00 N ATOM 362 CA ALA A 25 10.030 -4.819 -4.986 1.00 0.00 C ATOM 363 C ALA A 25 8.815 -3.892 -4.965 1.00 0.00 C ATOM 364 O ALA A 25 8.402 -3.445 -6.035 1.00 0.00 O ATOM 365 CB ALA A 25 9.616 -6.290 -4.886 1.00 0.00 C ATOM 0 H ALA A 25 10.953 -5.135 -3.139 1.00 0.00 H new ATOM 0 HA ALA A 25 10.540 -4.688 -5.940 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.933 -6.532 -5.701 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.501 -6.923 -4.954 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.118 -6.464 -3.932 1.00 0.00 H new ATOM 371 N LEU A 26 8.274 -3.578 -3.780 1.00 0.00 N ATOM 372 CA LEU A 26 7.125 -2.689 -3.597 1.00 0.00 C ATOM 373 C LEU A 26 7.355 -1.347 -4.271 1.00 0.00 C ATOM 374 O LEU A 26 6.444 -0.833 -4.924 1.00 0.00 O ATOM 375 CB LEU A 26 6.841 -2.434 -2.105 1.00 0.00 C ATOM 376 CG LEU A 26 5.821 -3.381 -1.473 1.00 0.00 C ATOM 377 CD1 LEU A 26 5.729 -3.061 0.025 1.00 0.00 C ATOM 378 CD2 LEU A 26 4.456 -3.200 -2.159 1.00 0.00 C ATOM 0 H LEU A 26 8.635 -3.947 -2.900 1.00 0.00 H new ATOM 0 HA LEU A 26 6.271 -3.191 -4.052 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.778 -2.512 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.486 -1.410 -1.987 1.00 0.00 H new ATOM 0 HG LEU A 26 6.128 -4.419 -1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.005 -3.727 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.706 -3.202 0.488 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.410 -2.027 0.157 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.730 -3.876 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.120 -2.171 -2.035 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.550 -3.425 -3.221 1.00 0.00 H new ATOM 390 N GLU A 27 8.573 -0.815 -4.151 1.00 0.00 N ATOM 391 CA GLU A 27 8.952 0.468 -4.724 1.00 0.00 C ATOM 392 C GLU A 27 8.607 0.476 -6.213 1.00 0.00 C ATOM 393 O GLU A 27 7.994 1.413 -6.712 1.00 0.00 O ATOM 394 CB GLU A 27 10.458 0.708 -4.546 1.00 0.00 C ATOM 395 CG GLU A 27 10.923 0.857 -3.089 1.00 0.00 C ATOM 396 CD GLU A 27 12.443 0.698 -2.923 1.00 0.00 C ATOM 397 OE1 GLU A 27 13.182 0.645 -3.935 1.00 0.00 O ATOM 398 OE2 GLU A 27 12.920 0.614 -1.765 1.00 0.00 O ATOM 0 H GLU A 27 9.331 -1.274 -3.645 1.00 0.00 H new ATOM 0 HA GLU A 27 8.407 1.261 -4.212 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.999 -0.121 -5.002 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.735 1.609 -5.094 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.623 1.836 -2.716 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.416 0.113 -2.474 1.00 0.00 H new ATOM 405 N ALA A 28 8.949 -0.605 -6.916 1.00 0.00 N ATOM 406 CA ALA A 28 8.740 -0.746 -8.346 1.00 0.00 C ATOM 407 C ALA A 28 7.363 -1.325 -8.702 1.00 0.00 C ATOM 408 O ALA A 28 7.017 -1.341 -9.886 1.00 0.00 O ATOM 409 CB ALA A 28 9.859 -1.626 -8.901 1.00 0.00 C ATOM 0 H ALA A 28 9.388 -1.422 -6.491 1.00 0.00 H new ATOM 0 HA ALA A 28 8.764 0.246 -8.798 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.726 -1.749 -9.976 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.823 -1.155 -8.706 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.828 -2.603 -8.418 1.00 0.00 H new ATOM 415 N VAL A 29 6.578 -1.842 -7.747 1.00 0.00 N ATOM 416 CA VAL A 29 5.186 -2.240 -7.995 1.00 0.00 C ATOM 417 C VAL A 29 4.367 -0.974 -8.236 1.00 0.00 C ATOM 418 O VAL A 29 3.617 -0.892 -9.213 1.00 0.00 O ATOM 419 CB VAL A 29 4.615 -3.101 -6.841 1.00 0.00 C ATOM 420 CG1 VAL A 29 3.094 -3.311 -6.929 1.00 0.00 C ATOM 421 CG2 VAL A 29 5.255 -4.496 -6.848 1.00 0.00 C ATOM 0 H VAL A 29 6.887 -1.995 -6.787 1.00 0.00 H new ATOM 0 HA VAL A 29 5.136 -2.876 -8.879 1.00 0.00 H new ATOM 0 HB VAL A 29 4.845 -2.548 -5.930 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.762 -3.922 -6.090 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.591 -2.345 -6.895 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.850 -3.815 -7.864 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.844 -5.089 -6.031 1.00 0.00 H new ATOM 0 HG22 VAL A 29 5.043 -4.989 -7.797 1.00 0.00 H new ATOM 0 HG23 VAL A 29 6.333 -4.402 -6.721 1.00 0.00 H new ATOM 431 N PHE A 30 4.514 0.012 -7.350 1.00 0.00 N ATOM 432 CA PHE A 30 3.648 1.180 -7.334 1.00 0.00 C ATOM 433 C PHE A 30 4.352 2.447 -7.829 1.00 0.00 C ATOM 434 O PHE A 30 3.676 3.377 -8.263 1.00 0.00 O ATOM 435 CB PHE A 30 3.081 1.352 -5.927 1.00 0.00 C ATOM 436 CG PHE A 30 2.175 0.241 -5.436 1.00 0.00 C ATOM 437 CD1 PHE A 30 0.911 0.046 -6.022 1.00 0.00 C ATOM 438 CD2 PHE A 30 2.561 -0.546 -4.335 1.00 0.00 C ATOM 439 CE1 PHE A 30 0.018 -0.892 -5.475 1.00 0.00 C ATOM 440 CE2 PHE A 30 1.671 -1.492 -3.796 1.00 0.00 C ATOM 441 CZ PHE A 30 0.392 -1.649 -4.350 1.00 0.00 C ATOM 0 H PHE A 30 5.235 0.019 -6.628 1.00 0.00 H new ATOM 0 HA PHE A 30 2.831 1.017 -8.036 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.914 1.449 -5.230 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.525 2.289 -5.893 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.626 0.618 -6.893 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.543 -0.423 -3.903 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -0.956 -1.032 -5.919 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.973 -2.098 -2.955 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.304 -2.350 -3.914 1.00 0.00 H new ATOM 451 N GLY A 31 5.686 2.476 -7.897 1.00 0.00 N ATOM 452 CA GLY A 31 6.492 3.601 -8.380 1.00 0.00 C ATOM 453 C GLY A 31 6.408 3.800 -9.892 1.00 0.00 C ATOM 454 O GLY A 31 7.351 4.286 -10.514 1.00 0.00 O ATOM 0 H GLY A 31 6.258 1.683 -7.605 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.165 4.514 -7.882 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.533 3.440 -8.099 1.00 0.00 H new ATOM 458 N LYS A 32 5.291 3.405 -10.501 1.00 0.00 N ATOM 459 CA LYS A 32 4.895 3.731 -11.857 1.00 0.00 C ATOM 460 C LYS A 32 3.647 4.619 -11.862 1.00 0.00 C ATOM 461 O LYS A 32 3.164 4.925 -12.949 1.00 0.00 O ATOM 462 CB LYS A 32 4.782 2.449 -12.701 1.00 0.00 C ATOM 463 CG LYS A 32 3.669 1.479 -12.268 1.00 0.00 C ATOM 464 CD LYS A 32 3.792 0.134 -13.004 1.00 0.00 C ATOM 465 CE LYS A 32 2.644 -0.786 -12.574 1.00 0.00 C ATOM 466 NZ LYS A 32 2.585 -2.063 -13.321 1.00 0.00 N ATOM 0 H LYS A 32 4.604 2.816 -10.029 1.00 0.00 H new ATOM 0 HA LYS A 32 5.667 4.331 -12.339 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.613 2.730 -13.740 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.736 1.923 -12.664 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.723 1.315 -11.192 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.695 1.922 -12.474 1.00 0.00 H new ATOM 0 HD2 LYS A 32 3.762 0.292 -14.082 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.751 -0.332 -12.777 1.00 0.00 H new ATOM 0 HE2 LYS A 32 2.745 -1.003 -11.511 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.700 -0.257 -12.703 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.785 -2.631 -12.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.458 -1.867 -14.334 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.470 -2.590 -13.179 1.00 0.00 H new ATOM 480 N TYR A 33 3.170 5.082 -10.697 1.00 0.00 N ATOM 481 CA TYR A 33 1.986 5.936 -10.575 1.00 0.00 C ATOM 482 C TYR A 33 2.246 7.255 -9.834 1.00 0.00 C ATOM 483 O TYR A 33 1.376 8.129 -9.829 1.00 0.00 O ATOM 484 CB TYR A 33 0.888 5.156 -9.842 1.00 0.00 C ATOM 485 CG TYR A 33 0.556 3.820 -10.471 1.00 0.00 C ATOM 486 CD1 TYR A 33 -0.033 3.787 -11.742 1.00 0.00 C ATOM 487 CD2 TYR A 33 0.844 2.622 -9.793 1.00 0.00 C ATOM 488 CE1 TYR A 33 -0.321 2.555 -12.350 1.00 0.00 C ATOM 489 CE2 TYR A 33 0.505 1.386 -10.361 1.00 0.00 C ATOM 490 CZ TYR A 33 -0.086 1.355 -11.642 1.00 0.00 C ATOM 491 OH TYR A 33 -0.409 0.156 -12.191 1.00 0.00 O ATOM 0 H TYR A 33 3.606 4.868 -9.800 1.00 0.00 H new ATOM 0 HA TYR A 33 1.684 6.204 -11.587 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.200 4.993 -8.810 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.015 5.765 -9.809 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.265 4.709 -12.254 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.329 2.654 -8.829 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.720 2.525 -13.353 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.694 0.468 -9.824 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.910 0.300 -13.021 1.00 0.00 H new ATOM 501 N GLY A 34 3.410 7.426 -9.196 1.00 0.00 N ATOM 502 CA GLY A 34 3.538 8.453 -8.180 1.00 0.00 C ATOM 503 C GLY A 34 4.908 8.449 -7.528 1.00 0.00 C ATOM 504 O GLY A 34 5.893 8.462 -8.265 1.00 0.00 O ATOM 0 H GLY A 34 4.252 6.877 -9.366 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.354 9.429 -8.628 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.774 8.303 -7.417 1.00 0.00 H new ATOM 508 N ARG A 35 4.989 8.548 -6.197 1.00 0.00 N ATOM 509 CA ARG A 35 6.254 8.657 -5.463 1.00 0.00 C ATOM 510 C ARG A 35 6.112 8.127 -4.042 1.00 0.00 C ATOM 511 O ARG A 35 5.304 8.620 -3.256 1.00 0.00 O ATOM 512 CB ARG A 35 6.806 10.091 -5.468 1.00 0.00 C ATOM 513 CG ARG A 35 5.794 11.245 -5.306 1.00 0.00 C ATOM 514 CD ARG A 35 5.674 12.015 -6.629 1.00 0.00 C ATOM 515 NE ARG A 35 4.858 13.232 -6.510 1.00 0.00 N ATOM 516 CZ ARG A 35 4.847 14.236 -7.398 1.00 0.00 C ATOM 517 NH1 ARG A 35 5.540 14.185 -8.530 1.00 0.00 N ATOM 518 NH2 ARG A 35 4.118 15.316 -7.170 1.00 0.00 N ATOM 0 H ARG A 35 4.168 8.555 -5.592 1.00 0.00 H new ATOM 0 HA ARG A 35 6.980 8.035 -5.986 1.00 0.00 H new ATOM 0 HB2 ARG A 35 7.539 10.172 -4.666 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.341 10.242 -6.406 1.00 0.00 H new ATOM 0 HG2 ARG A 35 4.821 10.850 -5.014 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.117 11.917 -4.511 1.00 0.00 H new ATOM 0 HD2 ARG A 35 6.671 12.285 -6.978 1.00 0.00 H new ATOM 0 HD3 ARG A 35 5.237 11.363 -7.385 1.00 0.00 H new ATOM 0 HE ARG A 35 4.256 13.319 -5.691 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.104 13.363 -8.746 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.508 14.968 -9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.563 15.386 -6.317 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.111 16.079 -7.847 1.00 0.00 H new ATOM 532 N ILE A 36 6.902 7.108 -3.726 1.00 0.00 N ATOM 533 CA ILE A 36 6.848 6.361 -2.482 1.00 0.00 C ATOM 534 C ILE A 36 7.997 6.874 -1.612 1.00 0.00 C ATOM 535 O ILE A 36 9.096 7.158 -2.099 1.00 0.00 O ATOM 536 CB ILE A 36 6.949 4.851 -2.803 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.872 4.430 -3.833 1.00 0.00 C ATOM 538 CG2 ILE A 36 6.824 3.940 -1.577 1.00 0.00 C ATOM 539 CD1 ILE A 36 6.124 3.050 -4.427 1.00 0.00 C ATOM 0 H ILE A 36 7.627 6.768 -4.358 1.00 0.00 H new ATOM 0 HA ILE A 36 5.913 6.499 -1.939 1.00 0.00 H new ATOM 0 HB ILE A 36 7.952 4.720 -3.210 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.894 4.439 -3.352 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.839 5.165 -4.637 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.905 2.898 -1.888 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.620 4.171 -0.869 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.857 4.102 -1.100 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.336 2.812 -5.141 1.00 0.00 H new ATOM 0 HD12 ILE A 36 7.088 3.043 -4.935 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.128 2.306 -3.630 1.00 0.00 H new ATOM 551 N VAL A 37 7.704 7.017 -0.328 1.00 0.00 N ATOM 552 CA VAL A 37 8.472 7.713 0.678 1.00 0.00 C ATOM 553 C VAL A 37 8.522 6.937 2.022 1.00 0.00 C ATOM 554 O VAL A 37 9.119 7.403 2.988 1.00 0.00 O ATOM 555 CB VAL A 37 7.808 9.105 0.728 1.00 0.00 C ATOM 556 CG1 VAL A 37 6.448 9.123 1.450 1.00 0.00 C ATOM 557 CG2 VAL A 37 8.692 10.221 1.251 1.00 0.00 C ATOM 0 H VAL A 37 6.852 6.614 0.063 1.00 0.00 H new ATOM 0 HA VAL A 37 9.534 7.804 0.448 1.00 0.00 H new ATOM 0 HB VAL A 37 7.632 9.314 -0.327 1.00 0.00 H new ATOM 0 HG11 VAL A 37 6.046 10.136 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.756 8.454 0.939 1.00 0.00 H new ATOM 0 HG13 VAL A 37 6.579 8.791 2.480 1.00 0.00 H new ATOM 0 HG21 VAL A 37 8.135 11.158 1.247 1.00 0.00 H new ATOM 0 HG22 VAL A 37 9.006 9.990 2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 37 9.571 10.318 0.613 1.00 0.00 H new ATOM 567 N GLU A 38 7.856 5.779 2.108 1.00 0.00 N ATOM 568 CA GLU A 38 7.707 4.882 3.252 1.00 0.00 C ATOM 569 C GLU A 38 7.110 3.562 2.712 1.00 0.00 C ATOM 570 O GLU A 38 6.058 3.568 2.062 1.00 0.00 O ATOM 571 CB GLU A 38 6.823 5.557 4.328 1.00 0.00 C ATOM 572 CG GLU A 38 6.342 4.611 5.446 1.00 0.00 C ATOM 573 CD GLU A 38 5.350 5.245 6.441 1.00 0.00 C ATOM 574 OE1 GLU A 38 4.726 6.289 6.117 1.00 0.00 O ATOM 575 OE2 GLU A 38 5.083 4.658 7.520 1.00 0.00 O ATOM 0 H GLU A 38 7.360 5.414 1.295 1.00 0.00 H new ATOM 0 HA GLU A 38 8.658 4.664 3.738 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.383 6.376 4.779 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.952 5.996 3.841 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.872 3.740 4.990 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.210 4.252 5.998 1.00 0.00 H new ATOM 582 N VAL A 39 7.794 2.443 2.957 1.00 0.00 N ATOM 583 CA VAL A 39 7.559 1.092 2.430 1.00 0.00 C ATOM 584 C VAL A 39 7.571 0.092 3.596 1.00 0.00 C ATOM 585 O VAL A 39 8.601 -0.039 4.260 1.00 0.00 O ATOM 586 CB VAL A 39 8.633 0.696 1.377 1.00 0.00 C ATOM 587 CG1 VAL A 39 8.037 -0.363 0.450 1.00 0.00 C ATOM 588 CG2 VAL A 39 9.129 1.852 0.499 1.00 0.00 C ATOM 0 H VAL A 39 8.598 2.457 3.584 1.00 0.00 H new ATOM 0 HA VAL A 39 6.589 1.076 1.932 1.00 0.00 H new ATOM 0 HB VAL A 39 9.491 0.339 1.946 1.00 0.00 H new ATOM 0 HG11 VAL A 39 8.778 -0.652 -0.295 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.749 -1.237 1.034 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.159 0.044 -0.050 1.00 0.00 H new ATOM 0 HG21 VAL A 39 9.875 1.481 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.290 2.276 -0.052 1.00 0.00 H new ATOM 0 HG23 VAL A 39 9.575 2.622 1.129 1.00 0.00 H new ATOM 598 N LEU A 40 6.446 -0.581 3.884 1.00 0.00 N ATOM 599 CA LEU A 40 6.217 -1.340 5.120 1.00 0.00 C ATOM 600 C LEU A 40 5.618 -2.717 4.777 1.00 0.00 C ATOM 601 O LEU A 40 4.428 -2.826 4.456 1.00 0.00 O ATOM 602 CB LEU A 40 5.269 -0.531 6.032 1.00 0.00 C ATOM 603 CG LEU A 40 5.890 0.457 7.045 1.00 0.00 C ATOM 604 CD1 LEU A 40 6.490 -0.271 8.245 1.00 0.00 C ATOM 605 CD2 LEU A 40 6.950 1.410 6.506 1.00 0.00 C ATOM 0 H LEU A 40 5.651 -0.612 3.246 1.00 0.00 H new ATOM 0 HA LEU A 40 7.157 -1.503 5.646 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.592 0.033 5.390 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.660 -1.241 6.591 1.00 0.00 H new ATOM 0 HG LEU A 40 5.033 1.070 7.323 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.917 0.456 8.935 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.711 -0.839 8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.271 -0.951 7.905 1.00 0.00 H new ATOM 0 HD21 LEU A 40 7.307 2.051 7.312 1.00 0.00 H new ATOM 0 HD22 LEU A 40 7.784 0.836 6.102 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.518 2.026 5.717 1.00 0.00 H new ATOM 617 N LEU A 41 6.428 -3.782 4.826 1.00 0.00 N ATOM 618 CA LEU A 41 6.069 -5.109 4.310 1.00 0.00 C ATOM 619 C LEU A 41 6.163 -6.161 5.419 1.00 0.00 C ATOM 620 O LEU A 41 7.248 -6.429 5.941 1.00 0.00 O ATOM 621 CB LEU A 41 6.967 -5.452 3.109 1.00 0.00 C ATOM 622 CG LEU A 41 6.470 -6.660 2.292 1.00 0.00 C ATOM 623 CD1 LEU A 41 5.301 -6.323 1.369 1.00 0.00 C ATOM 624 CD2 LEU A 41 7.600 -7.181 1.405 1.00 0.00 C ATOM 0 H LEU A 41 7.364 -3.746 5.231 1.00 0.00 H new ATOM 0 HA LEU A 41 5.034 -5.102 3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.031 -4.583 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 41 7.976 -5.657 3.467 1.00 0.00 H new ATOM 0 HG LEU A 41 6.140 -7.400 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 41 4.999 -7.217 0.823 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.462 -5.960 1.962 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.606 -5.551 0.662 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.245 -8.035 0.828 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.922 -6.392 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.440 -7.487 2.028 1.00 0.00 H new ATOM 636 N MET A 42 5.029 -6.758 5.795 1.00 0.00 N ATOM 637 CA MET A 42 4.919 -7.657 6.950 1.00 0.00 C ATOM 638 C MET A 42 5.667 -8.968 6.701 1.00 0.00 C ATOM 639 O MET A 42 5.723 -9.429 5.559 1.00 0.00 O ATOM 640 CB MET A 42 3.436 -7.907 7.278 1.00 0.00 C ATOM 641 CG MET A 42 2.683 -6.581 7.468 1.00 0.00 C ATOM 642 SD MET A 42 3.413 -5.438 8.668 1.00 0.00 S ATOM 643 CE MET A 42 3.260 -6.410 10.176 1.00 0.00 C ATOM 0 H MET A 42 4.147 -6.629 5.299 1.00 0.00 H new ATOM 0 HA MET A 42 5.386 -7.181 7.812 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.974 -8.480 6.474 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.356 -8.508 8.184 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.620 -6.077 6.504 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.662 -6.804 7.778 1.00 0.00 H new ATOM 0 HE1 MET A 42 3.567 -5.807 11.030 1.00 0.00 H new ATOM 0 HE2 MET A 42 2.223 -6.721 10.305 1.00 0.00 H new ATOM 0 HE3 MET A 42 3.897 -7.292 10.107 1.00 0.00 H new ATOM 653 N LYS A 43 6.251 -9.577 7.739 1.00 0.00 N ATOM 654 CA LYS A 43 7.158 -10.720 7.623 1.00 0.00 C ATOM 655 C LYS A 43 6.727 -11.834 8.551 1.00 0.00 C ATOM 656 O LYS A 43 6.043 -11.613 9.553 1.00 0.00 O ATOM 657 CB LYS A 43 8.633 -10.322 7.855 1.00 0.00 C ATOM 658 CG LYS A 43 9.061 -9.420 6.689 1.00 0.00 C ATOM 659 CD LYS A 43 10.470 -8.823 6.710 1.00 0.00 C ATOM 660 CE LYS A 43 10.589 -7.846 5.526 1.00 0.00 C ATOM 661 NZ LYS A 43 11.944 -7.289 5.328 1.00 0.00 N ATOM 0 H LYS A 43 6.102 -9.281 8.704 1.00 0.00 H new ATOM 0 HA LYS A 43 7.097 -11.087 6.598 1.00 0.00 H new ATOM 0 HB2 LYS A 43 8.743 -9.798 8.804 1.00 0.00 H new ATOM 0 HB3 LYS A 43 9.265 -11.209 7.905 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.958 -9.995 5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 43 8.352 -8.595 6.630 1.00 0.00 H new ATOM 0 HD2 LYS A 43 10.650 -8.305 7.652 1.00 0.00 H new ATOM 0 HD3 LYS A 43 11.219 -9.611 6.631 1.00 0.00 H new ATOM 0 HE2 LYS A 43 10.284 -8.360 4.614 1.00 0.00 H new ATOM 0 HE3 LYS A 43 9.890 -7.024 5.678 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.870 -6.302 5.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.469 -7.325 6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 12.447 -7.848 4.610 1.00 0.00 H new ATOM 675 N ASP A 44 7.056 -13.049 8.143 1.00 0.00 N ATOM 676 CA ASP A 44 6.766 -14.270 8.870 1.00 0.00 C ATOM 677 C ASP A 44 7.869 -14.521 9.878 1.00 0.00 C ATOM 678 O ASP A 44 9.047 -14.567 9.506 1.00 0.00 O ATOM 679 CB ASP A 44 6.680 -15.494 7.945 1.00 0.00 C ATOM 680 CG ASP A 44 5.793 -16.571 8.576 1.00 0.00 C ATOM 681 OD1 ASP A 44 5.862 -16.757 9.812 1.00 0.00 O ATOM 682 OD2 ASP A 44 4.993 -17.198 7.840 1.00 0.00 O ATOM 0 H ASP A 44 7.549 -13.216 7.266 1.00 0.00 H new ATOM 0 HA ASP A 44 5.799 -14.137 9.356 1.00 0.00 H new ATOM 0 HB2 ASP A 44 6.275 -15.200 6.977 1.00 0.00 H new ATOM 0 HB3 ASP A 44 7.678 -15.894 7.765 1.00 0.00 H new ATOM 687 N ARG A 45 7.498 -14.745 11.138 1.00 0.00 N ATOM 688 CA ARG A 45 8.431 -15.180 12.172 1.00 0.00 C ATOM 689 C ARG A 45 9.169 -16.461 11.795 1.00 0.00 C ATOM 690 O ARG A 45 10.261 -16.686 12.316 1.00 0.00 O ATOM 691 CB ARG A 45 7.741 -15.329 13.534 1.00 0.00 C ATOM 692 CG ARG A 45 6.549 -16.303 13.610 1.00 0.00 C ATOM 693 CD ARG A 45 5.175 -15.724 13.228 1.00 0.00 C ATOM 694 NE ARG A 45 4.848 -14.526 14.015 1.00 0.00 N ATOM 695 CZ ARG A 45 3.644 -14.008 14.271 1.00 0.00 C ATOM 696 NH1 ARG A 45 2.538 -14.442 13.678 1.00 0.00 N ATOM 697 NH2 ARG A 45 3.571 -13.030 15.161 1.00 0.00 N ATOM 0 H ARG A 45 6.540 -14.629 11.469 1.00 0.00 H new ATOM 0 HA ARG A 45 9.179 -14.391 12.256 1.00 0.00 H new ATOM 0 HB2 ARG A 45 8.488 -15.651 14.259 1.00 0.00 H new ATOM 0 HB3 ARG A 45 7.395 -14.344 13.848 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.757 -17.151 12.958 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.487 -16.691 14.627 1.00 0.00 H new ATOM 0 HD2 ARG A 45 5.168 -15.475 12.167 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.406 -16.481 13.382 1.00 0.00 H new ATOM 0 HE ARG A 45 5.642 -14.027 14.417 1.00 0.00 H new ATOM 0 HH11 ARG A 45 2.588 -15.200 12.997 1.00 0.00 H new ATOM 0 HH12 ARG A 45 1.638 -14.018 13.903 1.00 0.00 H new ATOM 0 HH21 ARG A 45 4.417 -12.698 15.624 1.00 0.00 H new ATOM 0 HH22 ARG A 45 2.669 -12.609 15.383 1.00 0.00 H new ATOM 711 N GLU A 46 8.594 -17.269 10.899 1.00 0.00 N ATOM 712 CA GLU A 46 9.086 -18.573 10.531 1.00 0.00 C ATOM 713 C GLU A 46 10.546 -18.489 10.093 1.00 0.00 C ATOM 714 O GLU A 46 11.405 -19.143 10.683 1.00 0.00 O ATOM 715 CB GLU A 46 8.177 -19.131 9.419 1.00 0.00 C ATOM 716 CG GLU A 46 8.506 -20.590 9.097 1.00 0.00 C ATOM 717 CD GLU A 46 8.300 -21.460 10.345 1.00 0.00 C ATOM 718 OE1 GLU A 46 7.169 -21.444 10.891 1.00 0.00 O ATOM 719 OE2 GLU A 46 9.289 -22.009 10.881 1.00 0.00 O ATOM 0 H GLU A 46 7.743 -17.011 10.400 1.00 0.00 H new ATOM 0 HA GLU A 46 9.058 -19.250 11.385 1.00 0.00 H new ATOM 0 HB2 GLU A 46 7.135 -19.053 9.728 1.00 0.00 H new ATOM 0 HB3 GLU A 46 8.289 -18.526 8.519 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.870 -20.945 8.286 1.00 0.00 H new ATOM 0 HG3 GLU A 46 9.537 -20.672 8.752 1.00 0.00 H new ATOM 726 N THR A 47 10.818 -17.717 9.040 1.00 0.00 N ATOM 727 CA THR A 47 12.103 -17.802 8.348 1.00 0.00 C ATOM 728 C THR A 47 12.411 -16.501 7.600 1.00 0.00 C ATOM 729 O THR A 47 12.970 -16.500 6.505 1.00 0.00 O ATOM 730 CB THR A 47 12.103 -19.068 7.462 1.00 0.00 C ATOM 731 OG1 THR A 47 13.393 -19.310 6.942 1.00 0.00 O ATOM 732 CG2 THR A 47 11.063 -19.024 6.347 1.00 0.00 C ATOM 0 H THR A 47 10.171 -17.031 8.651 1.00 0.00 H new ATOM 0 HA THR A 47 12.922 -17.908 9.059 1.00 0.00 H new ATOM 0 HB THR A 47 11.818 -19.899 8.108 1.00 0.00 H new ATOM 0 HG1 THR A 47 13.746 -18.486 6.546 1.00 0.00 H new ATOM 0 HG21 THR A 47 11.117 -19.943 5.763 1.00 0.00 H new ATOM 0 HG22 THR A 47 10.068 -18.928 6.781 1.00 0.00 H new ATOM 0 HG23 THR A 47 11.260 -18.170 5.699 1.00 0.00 H new ATOM 740 N ASN A 48 11.992 -15.359 8.143 1.00 0.00 N ATOM 741 CA ASN A 48 12.089 -14.076 7.469 1.00 0.00 C ATOM 742 C ASN A 48 11.328 -14.044 6.131 1.00 0.00 C ATOM 743 O ASN A 48 11.521 -13.119 5.335 1.00 0.00 O ATOM 744 CB ASN A 48 13.570 -13.657 7.352 1.00 0.00 C ATOM 745 CG ASN A 48 13.714 -12.213 7.761 1.00 0.00 C ATOM 746 OD1 ASN A 48 14.400 -11.869 8.714 1.00 0.00 O ATOM 747 ND2 ASN A 48 12.985 -11.334 7.113 1.00 0.00 N ATOM 0 H ASN A 48 11.573 -15.303 9.071 1.00 0.00 H new ATOM 0 HA ASN A 48 11.584 -13.327 8.079 1.00 0.00 H new ATOM 0 HB2 ASN A 48 14.190 -14.290 7.987 1.00 0.00 H new ATOM 0 HB3 ASN A 48 13.918 -13.793 6.328 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.988 -10.356 7.403 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.416 -11.629 6.320 1.00 0.00 H new ATOM 754 N LYS A 49 10.445 -15.030 5.899 1.00 0.00 N ATOM 755 CA LYS A 49 9.462 -15.073 4.817 1.00 0.00 C ATOM 756 C LYS A 49 8.653 -13.772 4.839 1.00 0.00 C ATOM 757 O LYS A 49 8.579 -13.095 5.862 1.00 0.00 O ATOM 758 CB LYS A 49 8.569 -16.328 5.006 1.00 0.00 C ATOM 759 CG LYS A 49 8.584 -17.329 3.834 1.00 0.00 C ATOM 760 CD LYS A 49 8.301 -18.800 4.215 1.00 0.00 C ATOM 761 CE LYS A 49 7.160 -19.005 5.227 1.00 0.00 C ATOM 762 NZ LYS A 49 6.761 -20.426 5.351 1.00 0.00 N ATOM 0 H LYS A 49 10.400 -15.857 6.494 1.00 0.00 H new ATOM 0 HA LYS A 49 9.942 -15.151 3.842 1.00 0.00 H new ATOM 0 HB2 LYS A 49 8.887 -16.847 5.910 1.00 0.00 H new ATOM 0 HB3 LYS A 49 7.542 -16.002 5.171 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.844 -17.013 3.099 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.558 -17.278 3.348 1.00 0.00 H new ATOM 0 HD2 LYS A 49 8.064 -19.355 3.307 1.00 0.00 H new ATOM 0 HD3 LYS A 49 9.212 -19.234 4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 49 7.472 -18.632 6.202 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.297 -18.414 4.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.990 -20.511 6.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.437 -20.777 4.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 7.576 -20.989 5.669 1.00 0.00 H new ATOM 776 N SER A 50 7.993 -13.427 3.749 1.00 0.00 N ATOM 777 CA SER A 50 7.030 -12.334 3.711 1.00 0.00 C ATOM 778 C SER A 50 5.660 -12.862 4.169 1.00 0.00 C ATOM 779 O SER A 50 5.485 -14.069 4.339 1.00 0.00 O ATOM 780 CB SER A 50 7.023 -11.794 2.280 1.00 0.00 C ATOM 781 OG SER A 50 6.404 -10.532 2.169 1.00 0.00 O ATOM 0 H SER A 50 8.109 -13.901 2.853 1.00 0.00 H new ATOM 0 HA SER A 50 7.289 -11.518 4.385 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.049 -11.722 1.920 1.00 0.00 H new ATOM 0 HB3 SER A 50 6.507 -12.503 1.633 1.00 0.00 H new ATOM 0 HG SER A 50 6.430 -10.236 1.235 1.00 0.00 H new ATOM 787 N ARG A 51 4.671 -11.980 4.356 1.00 0.00 N ATOM 788 CA ARG A 51 3.280 -12.351 4.637 1.00 0.00 C ATOM 789 C ARG A 51 2.372 -11.817 3.537 1.00 0.00 C ATOM 790 O ARG A 51 2.755 -10.956 2.746 1.00 0.00 O ATOM 791 CB ARG A 51 2.793 -11.788 5.984 1.00 0.00 C ATOM 792 CG ARG A 51 3.724 -11.990 7.191 1.00 0.00 C ATOM 793 CD ARG A 51 3.145 -12.886 8.295 1.00 0.00 C ATOM 794 NE ARG A 51 3.343 -12.288 9.631 1.00 0.00 N ATOM 795 CZ ARG A 51 2.478 -12.296 10.650 1.00 0.00 C ATOM 796 NH1 ARG A 51 1.436 -13.115 10.638 1.00 0.00 N ATOM 797 NH2 ARG A 51 2.627 -11.473 11.682 1.00 0.00 N ATOM 0 H ARG A 51 4.818 -10.971 4.316 1.00 0.00 H new ATOM 0 HA ARG A 51 3.240 -13.439 4.680 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.618 -10.719 5.863 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.830 -12.244 6.216 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.662 -12.423 6.843 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.962 -11.016 7.618 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.081 -13.042 8.118 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.622 -13.866 8.258 1.00 0.00 H new ATOM 0 HE ARG A 51 4.234 -11.819 9.793 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.291 -13.744 9.848 1.00 0.00 H new ATOM 0 HH12 ARG A 51 0.779 -13.116 11.419 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.411 -10.821 11.705 1.00 0.00 H new ATOM 0 HH22 ARG A 51 1.957 -11.493 12.451 1.00 0.00 H new ATOM 811 N GLY A 52 1.114 -12.255 3.552 1.00 0.00 N ATOM 812 CA GLY A 52 0.113 -11.852 2.582 1.00 0.00 C ATOM 813 C GLY A 52 -0.577 -10.521 2.903 1.00 0.00 C ATOM 814 O GLY A 52 -1.753 -10.378 2.562 1.00 0.00 O ATOM 0 H GLY A 52 0.763 -12.909 4.251 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.584 -11.777 1.602 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.644 -12.633 2.513 1.00 0.00 H new ATOM 818 N PHE A 53 0.066 -9.564 3.583 1.00 0.00 N ATOM 819 CA PHE A 53 -0.505 -8.244 3.876 1.00 0.00 C ATOM 820 C PHE A 53 0.612 -7.206 4.006 1.00 0.00 C ATOM 821 O PHE A 53 1.738 -7.561 4.362 1.00 0.00 O ATOM 822 CB PHE A 53 -1.419 -8.291 5.109 1.00 0.00 C ATOM 823 CG PHE A 53 -0.780 -8.582 6.458 1.00 0.00 C ATOM 824 CD1 PHE A 53 -0.162 -9.820 6.725 1.00 0.00 C ATOM 825 CD2 PHE A 53 -0.856 -7.621 7.483 1.00 0.00 C ATOM 826 CE1 PHE A 53 0.404 -10.076 7.986 1.00 0.00 C ATOM 827 CE2 PHE A 53 -0.328 -7.896 8.758 1.00 0.00 C ATOM 828 CZ PHE A 53 0.316 -9.117 9.006 1.00 0.00 C ATOM 0 H PHE A 53 1.010 -9.686 3.950 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.139 -7.939 3.043 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.932 -7.332 5.182 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.183 -9.048 4.930 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.123 -10.577 5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.323 -6.666 7.290 1.00 0.00 H new ATOM 0 HE1 PHE A 53 0.908 -11.013 8.170 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.419 -7.165 9.548 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.742 -9.318 9.978 1.00 0.00 H new ATOM 838 N ALA A 54 0.315 -5.948 3.668 1.00 0.00 N ATOM 839 CA ALA A 54 1.303 -4.890 3.505 1.00 0.00 C ATOM 840 C ALA A 54 0.668 -3.498 3.581 1.00 0.00 C ATOM 841 O ALA A 54 -0.557 -3.340 3.554 1.00 0.00 O ATOM 842 CB ALA A 54 1.960 -5.055 2.134 1.00 0.00 C ATOM 0 H ALA A 54 -0.641 -5.635 3.498 1.00 0.00 H new ATOM 0 HA ALA A 54 2.031 -4.972 4.312 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.704 -4.272 1.991 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.444 -6.030 2.077 1.00 0.00 H new ATOM 0 HB3 ALA A 54 1.201 -4.981 1.355 1.00 0.00 H new ATOM 848 N PHE A 55 1.521 -2.475 3.621 1.00 0.00 N ATOM 849 CA PHE A 55 1.148 -1.075 3.573 1.00 0.00 C ATOM 850 C PHE A 55 2.177 -0.347 2.712 1.00 0.00 C ATOM 851 O PHE A 55 3.377 -0.584 2.848 1.00 0.00 O ATOM 852 CB PHE A 55 1.114 -0.520 5.004 1.00 0.00 C ATOM 853 CG PHE A 55 1.069 0.988 5.126 1.00 0.00 C ATOM 854 CD1 PHE A 55 0.191 1.749 4.332 1.00 0.00 C ATOM 855 CD2 PHE A 55 1.977 1.642 5.979 1.00 0.00 C ATOM 856 CE1 PHE A 55 0.223 3.155 4.384 1.00 0.00 C ATOM 857 CE2 PHE A 55 1.989 3.044 6.056 1.00 0.00 C ATOM 858 CZ PHE A 55 1.097 3.793 5.277 1.00 0.00 C ATOM 0 H PHE A 55 2.529 -2.612 3.691 1.00 0.00 H new ATOM 0 HA PHE A 55 0.159 -0.936 3.137 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.243 -0.933 5.513 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.994 -0.882 5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.511 1.251 3.679 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.667 1.064 6.576 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.420 3.738 3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.684 3.544 6.714 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.082 4.869 5.365 1.00 0.00 H new ATOM 868 N VAL A 56 1.700 0.539 1.841 1.00 0.00 N ATOM 869 CA VAL A 56 2.528 1.450 1.080 1.00 0.00 C ATOM 870 C VAL A 56 1.908 2.820 1.319 1.00 0.00 C ATOM 871 O VAL A 56 0.707 3.023 1.086 1.00 0.00 O ATOM 872 CB VAL A 56 2.605 1.011 -0.399 1.00 0.00 C ATOM 873 CG1 VAL A 56 3.602 1.845 -1.210 1.00 0.00 C ATOM 874 CG2 VAL A 56 3.086 -0.441 -0.499 1.00 0.00 C ATOM 0 H VAL A 56 0.704 0.640 1.646 1.00 0.00 H new ATOM 0 HA VAL A 56 3.573 1.466 1.389 1.00 0.00 H new ATOM 0 HB VAL A 56 1.599 1.142 -0.798 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.616 1.494 -2.242 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.303 2.893 -1.187 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.598 1.743 -0.779 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.135 -0.737 -1.547 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.076 -0.528 -0.050 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.390 -1.092 0.029 1.00 0.00 H new ATOM 884 N THR A 57 2.698 3.719 1.890 1.00 0.00 N ATOM 885 CA THR A 57 2.392 5.135 1.932 1.00 0.00 C ATOM 886 C THR A 57 2.626 5.707 0.530 1.00 0.00 C ATOM 887 O THR A 57 3.205 5.039 -0.330 1.00 0.00 O ATOM 888 CB THR A 57 3.290 5.808 2.991 1.00 0.00 C ATOM 889 OG1 THR A 57 3.442 4.988 4.118 1.00 0.00 O ATOM 890 CG2 THR A 57 2.638 7.098 3.486 1.00 0.00 C ATOM 0 H THR A 57 3.580 3.478 2.342 1.00 0.00 H new ATOM 0 HA THR A 57 1.355 5.319 2.214 1.00 0.00 H new ATOM 0 HB THR A 57 4.254 5.997 2.518 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.623 4.467 4.256 1.00 0.00 H new ATOM 0 HG21 THR A 57 3.279 7.566 4.233 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.500 7.781 2.648 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.670 6.869 3.931 1.00 0.00 H new ATOM 898 N PHE A 58 2.258 6.957 0.287 1.00 0.00 N ATOM 899 CA PHE A 58 2.538 7.683 -0.937 1.00 0.00 C ATOM 900 C PHE A 58 2.701 9.142 -0.542 1.00 0.00 C ATOM 901 O PHE A 58 1.881 9.663 0.225 1.00 0.00 O ATOM 902 CB PHE A 58 1.371 7.469 -1.898 1.00 0.00 C ATOM 903 CG PHE A 58 1.283 6.049 -2.427 1.00 0.00 C ATOM 904 CD1 PHE A 58 2.101 5.642 -3.495 1.00 0.00 C ATOM 905 CD2 PHE A 58 0.482 5.094 -1.773 1.00 0.00 C ATOM 906 CE1 PHE A 58 2.091 4.312 -3.936 1.00 0.00 C ATOM 907 CE2 PHE A 58 0.530 3.748 -2.173 1.00 0.00 C ATOM 908 CZ PHE A 58 1.306 3.355 -3.276 1.00 0.00 C ATOM 0 H PHE A 58 1.736 7.512 0.965 1.00 0.00 H new ATOM 0 HA PHE A 58 3.443 7.344 -1.442 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.440 7.718 -1.389 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.470 8.157 -2.738 1.00 0.00 H new ATOM 0 HD1 PHE A 58 2.744 6.361 -3.981 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -0.168 5.395 -0.965 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.690 4.023 -4.787 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.036 3.008 -1.627 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.298 2.329 -3.612 1.00 0.00 H new ATOM 918 N GLU A 59 3.789 9.779 -0.980 1.00 0.00 N ATOM 919 CA GLU A 59 4.136 11.127 -0.590 1.00 0.00 C ATOM 920 C GLU A 59 2.989 12.115 -0.797 1.00 0.00 C ATOM 921 O GLU A 59 2.776 12.965 0.081 1.00 0.00 O ATOM 922 CB GLU A 59 5.414 11.528 -1.316 1.00 0.00 C ATOM 923 CG GLU A 59 5.778 12.979 -0.969 1.00 0.00 C ATOM 924 CD GLU A 59 7.268 13.263 -1.020 1.00 0.00 C ATOM 925 OE1 GLU A 59 7.832 13.250 -2.138 1.00 0.00 O ATOM 926 OE2 GLU A 59 7.821 13.577 0.067 1.00 0.00 O ATOM 0 H GLU A 59 4.457 9.357 -1.625 1.00 0.00 H new ATOM 0 HA GLU A 59 4.321 11.155 0.484 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.228 10.862 -1.032 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.279 11.425 -2.393 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.266 13.648 -1.660 1.00 0.00 H new ATOM 0 HG3 GLU A 59 5.407 13.208 0.030 1.00 0.00 H new ATOM 933 N SER A 60 2.199 11.984 -1.865 1.00 0.00 N ATOM 934 CA SER A 60 1.030 12.822 -2.097 1.00 0.00 C ATOM 935 C SER A 60 -0.210 11.978 -2.415 1.00 0.00 C ATOM 936 O SER A 60 -0.139 10.981 -3.134 1.00 0.00 O ATOM 937 CB SER A 60 1.349 13.839 -3.197 1.00 0.00 C ATOM 938 OG SER A 60 2.339 14.754 -2.748 1.00 0.00 O ATOM 0 H SER A 60 2.357 11.289 -2.594 1.00 0.00 H new ATOM 0 HA SER A 60 0.790 13.371 -1.186 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.700 13.322 -4.090 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.444 14.379 -3.476 1.00 0.00 H new ATOM 0 HG SER A 60 2.536 15.398 -3.460 1.00 0.00 H new ATOM 944 N PRO A 61 -1.401 12.402 -1.962 1.00 0.00 N ATOM 945 CA PRO A 61 -2.602 11.592 -2.078 1.00 0.00 C ATOM 946 C PRO A 61 -3.046 11.403 -3.526 1.00 0.00 C ATOM 947 O PRO A 61 -3.610 10.357 -3.852 1.00 0.00 O ATOM 948 CB PRO A 61 -3.649 12.341 -1.266 1.00 0.00 C ATOM 949 CG PRO A 61 -3.201 13.797 -1.361 1.00 0.00 C ATOM 950 CD PRO A 61 -1.687 13.638 -1.247 1.00 0.00 C ATOM 0 HA PRO A 61 -2.435 10.579 -1.711 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.649 12.202 -1.676 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.677 11.996 -0.232 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.498 14.260 -2.302 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.614 14.410 -0.560 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.163 14.485 -1.691 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.370 13.578 -0.206 1.00 0.00 H new ATOM 958 N ALA A 62 -2.776 12.377 -4.403 1.00 0.00 N ATOM 959 CA ALA A 62 -3.130 12.247 -5.806 1.00 0.00 C ATOM 960 C ALA A 62 -2.276 11.190 -6.511 1.00 0.00 C ATOM 961 O ALA A 62 -2.687 10.629 -7.524 1.00 0.00 O ATOM 962 CB ALA A 62 -3.003 13.596 -6.507 1.00 0.00 C ATOM 0 H ALA A 62 -2.317 13.255 -4.161 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.167 11.915 -5.860 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.271 13.487 -7.558 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.672 14.316 -6.035 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.975 13.951 -6.429 1.00 0.00 H new ATOM 968 N ASP A 63 -1.087 10.915 -5.982 1.00 0.00 N ATOM 969 CA ASP A 63 -0.192 9.873 -6.467 1.00 0.00 C ATOM 970 C ASP A 63 -0.634 8.498 -5.963 1.00 0.00 C ATOM 971 O ASP A 63 -0.542 7.498 -6.674 1.00 0.00 O ATOM 972 CB ASP A 63 1.247 10.298 -6.122 1.00 0.00 C ATOM 973 CG ASP A 63 1.997 9.566 -5.011 1.00 0.00 C ATOM 974 OD1 ASP A 63 2.277 8.363 -5.182 1.00 0.00 O ATOM 975 OD2 ASP A 63 2.464 10.270 -4.091 1.00 0.00 O ATOM 0 H ASP A 63 -0.711 11.425 -5.183 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.230 9.760 -7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.841 10.210 -7.031 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.222 11.355 -5.859 1.00 0.00 H new ATOM 980 N ALA A 64 -1.251 8.476 -4.785 1.00 0.00 N ATOM 981 CA ALA A 64 -1.757 7.276 -4.141 1.00 0.00 C ATOM 982 C ALA A 64 -3.021 6.753 -4.831 1.00 0.00 C ATOM 983 O ALA A 64 -3.112 5.568 -5.160 1.00 0.00 O ATOM 984 CB ALA A 64 -2.033 7.637 -2.687 1.00 0.00 C ATOM 0 H ALA A 64 -1.416 9.321 -4.238 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.024 6.472 -4.209 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.416 6.762 -2.161 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.109 7.969 -2.213 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.771 8.438 -2.645 1.00 0.00 H new ATOM 990 N LYS A 65 -4.004 7.638 -5.058 1.00 0.00 N ATOM 991 CA LYS A 65 -5.299 7.270 -5.645 1.00 0.00 C ATOM 992 C LYS A 65 -5.137 6.513 -6.958 1.00 0.00 C ATOM 993 O LYS A 65 -5.889 5.571 -7.212 1.00 0.00 O ATOM 994 CB LYS A 65 -6.200 8.504 -5.846 1.00 0.00 C ATOM 995 CG LYS A 65 -5.566 9.620 -6.694 1.00 0.00 C ATOM 996 CD LYS A 65 -6.476 10.838 -6.908 1.00 0.00 C ATOM 997 CE LYS A 65 -7.538 10.571 -7.976 1.00 0.00 C ATOM 998 NZ LYS A 65 -7.005 10.536 -9.364 1.00 0.00 N ATOM 0 H LYS A 65 -3.922 8.631 -4.839 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.784 6.603 -4.933 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.129 8.187 -6.320 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.462 8.911 -4.869 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.645 9.948 -6.213 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.290 9.211 -7.666 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.963 11.098 -5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.872 11.696 -7.202 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.024 9.620 -7.760 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -8.305 11.343 -7.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.773 10.301 -10.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -6.611 11.467 -9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -6.258 9.816 -9.431 1.00 0.00 H new ATOM 1012 N ASP A 66 -4.194 6.945 -7.797 1.00 0.00 N ATOM 1013 CA ASP A 66 -4.055 6.410 -9.141 1.00 0.00 C ATOM 1014 C ASP A 66 -3.371 5.060 -9.132 1.00 0.00 C ATOM 1015 O ASP A 66 -3.576 4.263 -10.053 1.00 0.00 O ATOM 1016 CB ASP A 66 -3.262 7.359 -10.033 1.00 0.00 C ATOM 1017 CG ASP A 66 -4.285 8.085 -10.907 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -4.754 7.513 -11.908 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -4.797 9.161 -10.506 1.00 0.00 O ATOM 0 H ASP A 66 -3.514 7.668 -7.562 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.063 6.297 -9.539 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.690 8.068 -9.434 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.547 6.810 -10.646 1.00 0.00 H new ATOM 1024 N ALA A 67 -2.584 4.786 -8.090 1.00 0.00 N ATOM 1025 CA ALA A 67 -1.945 3.505 -7.965 1.00 0.00 C ATOM 1026 C ALA A 67 -3.033 2.448 -7.736 1.00 0.00 C ATOM 1027 O ALA A 67 -3.044 1.411 -8.399 1.00 0.00 O ATOM 1028 CB ALA A 67 -0.904 3.553 -6.834 1.00 0.00 C ATOM 0 H ALA A 67 -2.384 5.439 -7.333 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.402 3.239 -8.872 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.421 2.580 -6.742 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.154 4.310 -7.062 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.398 3.803 -5.895 1.00 0.00 H new ATOM 1034 N ALA A 68 -3.979 2.731 -6.831 1.00 0.00 N ATOM 1035 CA ALA A 68 -5.146 1.893 -6.571 1.00 0.00 C ATOM 1036 C ALA A 68 -6.152 1.883 -7.734 1.00 0.00 C ATOM 1037 O ALA A 68 -6.994 0.983 -7.769 1.00 0.00 O ATOM 1038 CB ALA A 68 -5.824 2.349 -5.270 1.00 0.00 C ATOM 0 H ALA A 68 -3.949 3.568 -6.249 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.794 0.867 -6.467 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -6.695 1.724 -5.075 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.121 2.259 -4.442 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.138 3.388 -5.368 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.113 2.843 -8.670 1.00 0.00 N ATOM 1045 CA ARG A 69 -6.967 2.829 -9.859 1.00 0.00 C ATOM 1046 C ARG A 69 -6.480 1.774 -10.839 1.00 0.00 C ATOM 1047 O ARG A 69 -7.238 0.871 -11.180 1.00 0.00 O ATOM 1048 CB ARG A 69 -6.996 4.205 -10.553 1.00 0.00 C ATOM 1049 CG ARG A 69 -8.092 5.159 -10.065 1.00 0.00 C ATOM 1050 CD ARG A 69 -9.456 4.668 -10.569 1.00 0.00 C ATOM 1051 NE ARG A 69 -10.536 5.653 -10.390 1.00 0.00 N ATOM 1052 CZ ARG A 69 -10.712 6.797 -11.063 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -9.893 7.161 -12.045 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -11.714 7.605 -10.749 1.00 0.00 N ATOM 0 H ARG A 69 -5.489 3.648 -8.621 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.980 2.591 -9.535 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.028 4.686 -10.411 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -7.121 4.051 -11.625 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.090 5.207 -8.976 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.899 6.168 -10.429 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.375 4.417 -11.627 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -9.720 3.751 -10.043 1.00 0.00 H new ATOM 0 HE ARG A 69 -11.228 5.440 -9.672 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -9.108 6.563 -12.302 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -10.050 8.038 -12.541 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -12.353 7.356 -9.994 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -11.847 8.476 -11.263 1.00 0.00 H new ATOM 1068 N ASP A 70 -5.265 1.940 -11.359 1.00 0.00 N ATOM 1069 CA ASP A 70 -4.812 1.190 -12.534 1.00 0.00 C ATOM 1070 C ASP A 70 -4.378 -0.228 -12.195 1.00 0.00 C ATOM 1071 O ASP A 70 -4.569 -1.132 -13.005 1.00 0.00 O ATOM 1072 CB ASP A 70 -3.658 1.935 -13.186 1.00 0.00 C ATOM 1073 CG ASP A 70 -3.001 1.199 -14.355 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -2.112 0.357 -14.118 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -3.201 1.618 -15.519 1.00 0.00 O ATOM 0 H ASP A 70 -4.573 2.589 -10.985 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.657 1.110 -13.218 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.020 2.900 -13.540 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -2.900 2.137 -12.429 1.00 0.00 H new ATOM 1080 N MET A 71 -3.800 -0.442 -11.009 1.00 0.00 N ATOM 1081 CA MET A 71 -3.650 -1.775 -10.445 1.00 0.00 C ATOM 1082 C MET A 71 -4.935 -2.120 -9.666 1.00 0.00 C ATOM 1083 O MET A 71 -6.007 -1.628 -10.011 1.00 0.00 O ATOM 1084 CB MET A 71 -2.282 -1.930 -9.755 1.00 0.00 C ATOM 1085 CG MET A 71 -2.159 -1.703 -8.254 1.00 0.00 C ATOM 1086 SD MET A 71 -2.176 -3.219 -7.257 1.00 0.00 S ATOM 1087 CE MET A 71 -0.930 -4.197 -8.114 1.00 0.00 C ATOM 0 H MET A 71 -3.427 0.303 -10.421 1.00 0.00 H new ATOM 0 HA MET A 71 -3.586 -2.561 -11.197 1.00 0.00 H new ATOM 0 HB2 MET A 71 -1.927 -2.940 -9.961 1.00 0.00 H new ATOM 0 HB3 MET A 71 -1.592 -1.243 -10.245 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.233 -1.164 -8.056 1.00 0.00 H new ATOM 0 HG3 MET A 71 -2.977 -1.061 -7.929 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.403 -4.825 -7.396 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.413 -4.827 -8.861 1.00 0.00 H new ATOM 0 HE3 MET A 71 -0.219 -3.532 -8.605 1.00 0.00 H new ATOM 1097 N ASN A 72 -4.886 -2.981 -8.654 1.00 0.00 N ATOM 1098 CA ASN A 72 -6.004 -3.555 -7.914 1.00 0.00 C ATOM 1099 C ASN A 72 -6.882 -4.464 -8.775 1.00 0.00 C ATOM 1100 O ASN A 72 -6.762 -4.492 -9.999 1.00 0.00 O ATOM 1101 CB ASN A 72 -6.777 -2.453 -7.159 1.00 0.00 C ATOM 1102 CG ASN A 72 -8.186 -2.195 -7.684 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -9.143 -2.798 -7.215 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -8.334 -1.329 -8.674 1.00 0.00 N ATOM 0 H ASN A 72 -3.991 -3.322 -8.303 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.601 -4.225 -7.155 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.840 -2.728 -6.106 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.207 -1.525 -7.213 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.260 -1.152 -9.063 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.522 -0.839 -9.048 1.00 0.00 H new ATOM 1111 N GLY A 73 -7.711 -5.273 -8.116 1.00 0.00 N ATOM 1112 CA GLY A 73 -8.685 -6.167 -8.725 1.00 0.00 C ATOM 1113 C GLY A 73 -8.068 -7.436 -9.301 1.00 0.00 C ATOM 1114 O GLY A 73 -8.542 -8.537 -9.012 1.00 0.00 O ATOM 0 H GLY A 73 -7.719 -5.322 -7.097 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.431 -6.441 -7.979 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.209 -5.634 -9.519 1.00 0.00 H new ATOM 1118 N LYS A 74 -6.995 -7.310 -10.083 1.00 0.00 N ATOM 1119 CA LYS A 74 -6.333 -8.422 -10.759 1.00 0.00 C ATOM 1120 C LYS A 74 -5.535 -9.291 -9.793 1.00 0.00 C ATOM 1121 O LYS A 74 -5.504 -9.064 -8.586 1.00 0.00 O ATOM 1122 CB LYS A 74 -5.472 -7.873 -11.907 1.00 0.00 C ATOM 1123 CG LYS A 74 -4.365 -6.922 -11.429 1.00 0.00 C ATOM 1124 CD LYS A 74 -3.396 -6.641 -12.575 1.00 0.00 C ATOM 1125 CE LYS A 74 -2.364 -5.591 -12.165 1.00 0.00 C ATOM 1126 NZ LYS A 74 -1.512 -5.206 -13.304 1.00 0.00 N ATOM 0 H LYS A 74 -6.553 -6.409 -10.267 1.00 0.00 H new ATOM 0 HA LYS A 74 -7.091 -9.083 -11.179 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.020 -8.706 -12.444 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -6.113 -7.348 -12.615 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.802 -5.989 -11.073 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.830 -7.364 -10.588 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.890 -7.562 -12.864 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.948 -6.294 -13.448 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -2.873 -4.710 -11.775 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.743 -5.983 -11.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.821 -4.492 -12.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.009 -6.044 -13.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.104 -4.810 -14.062 1.00 0.00 H new ATOM 1140 N SER A 75 -4.900 -10.317 -10.337 1.00 0.00 N ATOM 1141 CA SER A 75 -3.927 -11.153 -9.669 1.00 0.00 C ATOM 1142 C SER A 75 -2.574 -10.456 -9.670 1.00 0.00 C ATOM 1143 O SER A 75 -2.320 -9.515 -10.430 1.00 0.00 O ATOM 1144 CB SER A 75 -3.896 -12.469 -10.443 1.00 0.00 C ATOM 1145 OG SER A 75 -3.541 -12.209 -11.788 1.00 0.00 O ATOM 0 H SER A 75 -5.060 -10.599 -11.304 1.00 0.00 H new ATOM 0 HA SER A 75 -4.182 -11.340 -8.626 1.00 0.00 H new ATOM 0 HB2 SER A 75 -3.179 -13.154 -9.991 1.00 0.00 H new ATOM 0 HB3 SER A 75 -4.871 -12.954 -10.399 1.00 0.00 H new ATOM 0 HG SER A 75 -3.518 -13.051 -12.289 1.00 0.00 H new ATOM 1151 N LEU A 76 -1.669 -10.947 -8.834 1.00 0.00 N ATOM 1152 CA LEU A 76 -0.253 -10.637 -8.925 1.00 0.00 C ATOM 1153 C LEU A 76 0.513 -11.899 -8.589 1.00 0.00 C ATOM 1154 O LEU A 76 0.366 -12.440 -7.490 1.00 0.00 O ATOM 1155 CB LEU A 76 0.083 -9.470 -7.998 1.00 0.00 C ATOM 1156 CG LEU A 76 1.360 -8.718 -8.425 1.00 0.00 C ATOM 1157 CD1 LEU A 76 1.352 -7.307 -7.828 1.00 0.00 C ATOM 1158 CD2 LEU A 76 2.644 -9.433 -7.986 1.00 0.00 C ATOM 0 H LEU A 76 -1.902 -11.578 -8.067 1.00 0.00 H new ATOM 0 HA LEU A 76 0.028 -10.318 -9.929 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -0.755 -8.773 -7.980 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.209 -9.843 -6.982 1.00 0.00 H new ATOM 0 HG LEU A 76 1.356 -8.680 -9.514 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.256 -6.778 -8.132 1.00 0.00 H new ATOM 0 HD12 LEU A 76 0.477 -6.765 -8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.318 -7.372 -6.740 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.511 -8.859 -8.314 1.00 0.00 H new ATOM 0 HD22 LEU A 76 2.657 -9.522 -6.900 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.678 -10.427 -8.432 1.00 0.00 H new ATOM 1170 N ASP A 77 1.271 -12.388 -9.565 1.00 0.00 N ATOM 1171 CA ASP A 77 1.921 -13.699 -9.550 1.00 0.00 C ATOM 1172 C ASP A 77 0.906 -14.818 -9.266 1.00 0.00 C ATOM 1173 O ASP A 77 1.130 -15.760 -8.507 1.00 0.00 O ATOM 1174 CB ASP A 77 3.188 -13.679 -8.681 1.00 0.00 C ATOM 1175 CG ASP A 77 4.341 -14.240 -9.509 1.00 0.00 C ATOM 1176 OD1 ASP A 77 4.943 -13.445 -10.265 1.00 0.00 O ATOM 1177 OD2 ASP A 77 4.570 -15.467 -9.546 1.00 0.00 O ATOM 0 H ASP A 77 1.458 -11.865 -10.421 1.00 0.00 H new ATOM 0 HA ASP A 77 2.297 -13.942 -10.544 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.411 -12.662 -8.357 1.00 0.00 H new ATOM 0 HB3 ASP A 77 3.041 -14.275 -7.780 1.00 0.00 H new ATOM 1182 N GLY A 78 -0.273 -14.667 -9.879 1.00 0.00 N ATOM 1183 CA GLY A 78 -1.389 -15.588 -9.797 1.00 0.00 C ATOM 1184 C GLY A 78 -2.143 -15.524 -8.471 1.00 0.00 C ATOM 1185 O GLY A 78 -3.116 -16.264 -8.329 1.00 0.00 O ATOM 0 H GLY A 78 -0.474 -13.860 -10.470 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.083 -15.376 -10.610 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -1.022 -16.603 -9.947 1.00 0.00 H new ATOM 1189 N LYS A 79 -1.735 -14.683 -7.512 1.00 0.00 N ATOM 1190 CA LYS A 79 -2.348 -14.584 -6.190 1.00 0.00 C ATOM 1191 C LYS A 79 -3.335 -13.433 -6.239 1.00 0.00 C ATOM 1192 O LYS A 79 -3.005 -12.380 -6.786 1.00 0.00 O ATOM 1193 CB LYS A 79 -1.283 -14.321 -5.102 1.00 0.00 C ATOM 1194 CG LYS A 79 -0.082 -15.283 -5.072 1.00 0.00 C ATOM 1195 CD LYS A 79 -0.510 -16.754 -4.993 1.00 0.00 C ATOM 1196 CE LYS A 79 0.684 -17.709 -4.926 1.00 0.00 C ATOM 1197 NZ LYS A 79 1.402 -17.700 -3.632 1.00 0.00 N ATOM 0 H LYS A 79 -0.953 -14.041 -7.641 1.00 0.00 H new ATOM 0 HA LYS A 79 -2.846 -15.520 -5.937 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.905 -13.307 -5.232 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.773 -14.356 -4.129 1.00 0.00 H new ATOM 0 HG2 LYS A 79 0.523 -15.131 -5.966 1.00 0.00 H new ATOM 0 HG3 LYS A 79 0.549 -15.045 -4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.137 -16.900 -4.114 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.119 -16.999 -5.863 1.00 0.00 H new ATOM 0 HE2 LYS A 79 0.335 -18.722 -5.127 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.386 -17.450 -5.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.888 -18.610 -3.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.101 -16.930 -3.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.722 -17.554 -2.859 1.00 0.00 H new ATOM 1211 N ALA A 80 -4.523 -13.622 -5.678 1.00 0.00 N ATOM 1212 CA ALA A 80 -5.567 -12.620 -5.653 1.00 0.00 C ATOM 1213 C ALA A 80 -5.148 -11.507 -4.707 1.00 0.00 C ATOM 1214 O ALA A 80 -5.276 -11.649 -3.487 1.00 0.00 O ATOM 1215 CB ALA A 80 -6.877 -13.256 -5.182 1.00 0.00 C ATOM 0 H ALA A 80 -4.787 -14.495 -5.221 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.721 -12.210 -6.651 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.662 -12.500 -5.164 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -7.159 -14.056 -5.866 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.743 -13.665 -4.180 1.00 0.00 H new ATOM 1221 N ILE A 81 -4.627 -10.419 -5.258 1.00 0.00 N ATOM 1222 CA ILE A 81 -4.352 -9.225 -4.486 1.00 0.00 C ATOM 1223 C ILE A 81 -5.640 -8.419 -4.310 1.00 0.00 C ATOM 1224 O ILE A 81 -6.635 -8.608 -5.021 1.00 0.00 O ATOM 1225 CB ILE A 81 -3.220 -8.396 -5.132 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -3.539 -7.985 -6.581 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.906 -9.197 -5.043 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -2.745 -6.772 -7.049 1.00 0.00 C ATOM 0 H ILE A 81 -4.386 -10.344 -6.246 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.998 -9.508 -3.495 1.00 0.00 H new ATOM 0 HB ILE A 81 -3.116 -7.461 -4.581 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.332 -8.825 -7.244 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -4.604 -7.768 -6.664 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -1.098 -8.622 -5.496 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.670 -9.393 -3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -2.020 -10.143 -5.573 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -3.016 -6.534 -8.078 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -2.971 -5.920 -6.408 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -1.679 -6.993 -6.997 1.00 0.00 H new ATOM 1240 N LYS A 82 -5.557 -7.496 -3.360 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.502 -6.457 -2.988 1.00 0.00 C ATOM 1242 C LYS A 82 -5.672 -5.190 -2.837 1.00 0.00 C ATOM 1243 O LYS A 82 -4.646 -5.257 -2.146 1.00 0.00 O ATOM 1244 CB LYS A 82 -7.164 -6.803 -1.638 1.00 0.00 C ATOM 1245 CG LYS A 82 -7.834 -8.187 -1.649 1.00 0.00 C ATOM 1246 CD LYS A 82 -8.625 -8.397 -0.354 1.00 0.00 C ATOM 1247 CE LYS A 82 -9.304 -9.768 -0.339 1.00 0.00 C ATOM 1248 NZ LYS A 82 -8.352 -10.873 -0.113 1.00 0.00 N ATOM 0 H LYS A 82 -4.729 -7.456 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.293 -6.347 -3.729 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.412 -6.773 -0.850 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.908 -6.044 -1.397 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.499 -8.271 -2.509 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.078 -8.965 -1.753 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -7.956 -8.310 0.502 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.377 -7.614 -0.253 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.064 -9.784 0.442 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.818 -9.925 -1.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -8.864 -11.778 -0.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -7.640 -10.879 -0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.879 -10.742 0.804 1.00 0.00 H new ATOM 1262 N VAL A 83 -6.061 -4.072 -3.445 1.00 0.00 N ATOM 1263 CA VAL A 83 -5.482 -2.763 -3.154 1.00 0.00 C ATOM 1264 C VAL A 83 -6.640 -1.799 -2.983 1.00 0.00 C ATOM 1265 O VAL A 83 -7.424 -1.596 -3.907 1.00 0.00 O ATOM 1266 CB VAL A 83 -4.452 -2.310 -4.212 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -4.059 -0.834 -4.055 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -3.177 -3.132 -4.039 1.00 0.00 C ATOM 0 H VAL A 83 -6.791 -4.049 -4.157 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.895 -2.802 -2.236 1.00 0.00 H new ATOM 0 HB VAL A 83 -4.913 -2.451 -5.190 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.333 -0.567 -4.823 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.945 -0.208 -4.160 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.619 -0.677 -3.070 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -2.441 -2.822 -4.781 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -2.774 -2.972 -3.039 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.405 -4.189 -4.174 1.00 0.00 H new ATOM 1278 N GLU A 84 -6.744 -1.237 -1.782 1.00 0.00 N ATOM 1279 CA GLU A 84 -7.844 -0.395 -1.364 1.00 0.00 C ATOM 1280 C GLU A 84 -7.318 0.866 -0.695 1.00 0.00 C ATOM 1281 O GLU A 84 -6.116 1.067 -0.494 1.00 0.00 O ATOM 1282 CB GLU A 84 -8.763 -1.175 -0.413 1.00 0.00 C ATOM 1283 CG GLU A 84 -9.615 -2.229 -1.136 1.00 0.00 C ATOM 1284 CD GLU A 84 -11.002 -1.653 -1.421 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -11.092 -0.630 -2.142 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -11.968 -2.146 -0.793 1.00 0.00 O ATOM 0 H GLU A 84 -6.039 -1.363 -1.055 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.421 -0.098 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.157 -1.665 0.349 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.420 -0.476 0.104 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -9.133 -2.525 -2.068 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.701 -3.126 -0.523 1.00 0.00 H new ATOM 1293 N GLN A 85 -8.265 1.712 -0.319 1.00 0.00 N ATOM 1294 CA GLN A 85 -8.049 3.005 0.295 1.00 0.00 C ATOM 1295 C GLN A 85 -8.624 2.933 1.703 1.00 0.00 C ATOM 1296 O GLN A 85 -9.813 3.194 1.917 1.00 0.00 O ATOM 1297 CB GLN A 85 -8.656 4.126 -0.564 1.00 0.00 C ATOM 1298 CG GLN A 85 -8.124 4.118 -2.009 1.00 0.00 C ATOM 1299 CD GLN A 85 -8.147 5.520 -2.601 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -9.141 5.965 -3.172 1.00 0.00 O ATOM 1301 NE2 GLN A 85 -7.091 6.289 -2.384 1.00 0.00 N ATOM 0 H GLN A 85 -9.255 1.500 -0.442 1.00 0.00 H new ATOM 0 HA GLN A 85 -6.989 3.248 0.362 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -9.741 4.020 -0.579 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -8.436 5.090 -0.105 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -7.106 3.729 -2.024 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -8.730 3.450 -2.621 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -6.272 5.909 -1.909 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -7.096 7.262 -2.691 1.00 0.00 H new ATOM 1310 N ALA A 86 -7.777 2.534 2.656 1.00 0.00 N ATOM 1311 CA ALA A 86 -8.114 2.504 4.077 1.00 0.00 C ATOM 1312 C ALA A 86 -8.104 3.948 4.604 1.00 0.00 C ATOM 1313 O ALA A 86 -7.177 4.358 5.313 1.00 0.00 O ATOM 1314 CB ALA A 86 -7.162 1.576 4.849 1.00 0.00 C ATOM 0 H ALA A 86 -6.827 2.219 2.457 1.00 0.00 H new ATOM 0 HA ALA A 86 -9.111 2.089 4.226 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.435 1.572 5.904 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -7.238 0.564 4.451 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.138 1.933 4.740 1.00 0.00 H new ATOM 1320 N THR A 87 -9.080 4.745 4.183 1.00 0.00 N ATOM 1321 CA THR A 87 -9.236 6.155 4.504 1.00 0.00 C ATOM 1322 C THR A 87 -10.500 6.319 5.349 1.00 0.00 C ATOM 1323 O THR A 87 -11.222 5.362 5.627 1.00 0.00 O ATOM 1324 CB THR A 87 -9.217 6.986 3.202 1.00 0.00 C ATOM 1325 OG1 THR A 87 -9.144 8.380 3.433 1.00 0.00 O ATOM 1326 CG2 THR A 87 -10.442 6.750 2.318 1.00 0.00 C ATOM 0 H THR A 87 -9.824 4.403 3.575 1.00 0.00 H new ATOM 0 HA THR A 87 -8.408 6.535 5.103 1.00 0.00 H new ATOM 0 HB THR A 87 -8.316 6.640 2.696 1.00 0.00 H new ATOM 0 HG1 THR A 87 -9.133 8.854 2.575 1.00 0.00 H new ATOM 0 HG21 THR A 87 -10.366 7.363 1.420 1.00 0.00 H new ATOM 0 HG22 THR A 87 -10.490 5.698 2.036 1.00 0.00 H new ATOM 0 HG23 THR A 87 -11.344 7.020 2.867 1.00 0.00 H new