USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=15 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= 0.49 K(o=0.5,f=-3.4!) USER MOD Set 1.2: A 79 LYS NZ :NH3+ -126:sc= 0.00876 (180deg=0) USER MOD Set 2.1: A 32 LYS NZ :NH3+ -109:sc= 0.713 (180deg=-0.16) USER MOD Set 2.2: A 33 TYR OH : rot -56:sc= 1.74 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= -0.201 USER MOD Single : A 22 ASN : amide:sc=-0.00529 X(o=-0.0053,f=-0.47) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl -153:sc= -0.0848 (180deg=-1.22) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 1.3 (180deg=1.19) USER MOD Single : A 50 SER OG : rot 78:sc= 0.23 USER MOD Single : A 57 THR OG1 : rot -63:sc= 1.4 USER MOD Single : A 60 SER OG : rot 180:sc= 0.00682 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl -141:sc= -1.26 (180deg=-3.81!) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 74 LYS NZ :NH3+ 155:sc= 1.08 (180deg=0.59) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.15 X(o=-0.15,f=-0.43) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 133 N GLY A 10 -2.440 9.804 1.844 1.00 0.00 N ATOM 134 CA GLY A 10 -1.259 9.244 1.190 1.00 0.00 C ATOM 135 C GLY A 10 -1.078 7.748 1.469 1.00 0.00 C ATOM 136 O GLY A 10 -0.239 7.102 0.843 1.00 0.00 O ATOM 0 HA2 GLY A 10 -1.336 9.401 0.114 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -0.373 9.782 1.528 1.00 0.00 H new ATOM 140 N LYS A 11 -1.842 7.194 2.415 1.00 0.00 N ATOM 141 CA LYS A 11 -1.821 5.796 2.828 1.00 0.00 C ATOM 142 C LYS A 11 -2.737 4.978 1.917 1.00 0.00 C ATOM 143 O LYS A 11 -3.852 5.420 1.618 1.00 0.00 O ATOM 144 CB LYS A 11 -2.306 5.791 4.289 1.00 0.00 C ATOM 145 CG LYS A 11 -2.312 4.454 5.048 1.00 0.00 C ATOM 146 CD LYS A 11 -1.529 4.592 6.366 1.00 0.00 C ATOM 147 CE LYS A 11 -1.270 3.248 7.056 1.00 0.00 C ATOM 148 NZ LYS A 11 -2.395 2.833 7.915 1.00 0.00 N ATOM 0 H LYS A 11 -2.526 7.741 2.938 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.830 5.347 2.753 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -1.683 6.489 4.849 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -3.321 6.187 4.304 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -3.338 4.149 5.255 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.866 3.674 4.431 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.575 5.080 6.165 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -2.083 5.241 7.044 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -1.091 2.483 6.301 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.364 3.320 7.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -2.174 1.919 8.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.550 3.549 8.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.255 2.738 7.338 1.00 0.00 H new ATOM 162 N LEU A 12 -2.309 3.768 1.541 1.00 0.00 N ATOM 163 CA LEU A 12 -3.163 2.747 0.939 1.00 0.00 C ATOM 164 C LEU A 12 -3.147 1.464 1.776 1.00 0.00 C ATOM 165 O LEU A 12 -2.478 1.388 2.812 1.00 0.00 O ATOM 166 CB LEU A 12 -2.754 2.485 -0.523 1.00 0.00 C ATOM 167 CG LEU A 12 -3.284 3.513 -1.545 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.902 3.022 -2.942 1.00 0.00 C ATOM 169 CD2 LEU A 12 -4.808 3.696 -1.509 1.00 0.00 C ATOM 0 H LEU A 12 -1.340 3.469 1.650 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.189 3.115 0.928 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.666 2.465 -0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.107 1.495 -0.811 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.841 4.476 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -3.264 3.730 -3.688 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.818 2.941 -3.015 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.352 2.045 -3.120 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.104 4.434 -2.255 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -5.294 2.745 -1.727 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -5.110 4.040 -0.520 1.00 0.00 H new ATOM 181 N PHE A 13 -3.906 0.445 1.364 1.00 0.00 N ATOM 182 CA PHE A 13 -3.997 -0.840 2.047 1.00 0.00 C ATOM 183 C PHE A 13 -3.993 -1.981 1.028 1.00 0.00 C ATOM 184 O PHE A 13 -4.868 -2.008 0.161 1.00 0.00 O ATOM 185 CB PHE A 13 -5.283 -0.840 2.880 1.00 0.00 C ATOM 186 CG PHE A 13 -5.475 -2.043 3.780 1.00 0.00 C ATOM 187 CD1 PHE A 13 -5.791 -3.305 3.244 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.344 -1.900 5.171 1.00 0.00 C ATOM 189 CE1 PHE A 13 -5.935 -4.419 4.087 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.486 -3.012 6.011 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.779 -4.277 5.475 1.00 0.00 C ATOM 0 H PHE A 13 -4.486 0.496 0.527 1.00 0.00 H new ATOM 0 HA PHE A 13 -3.139 -0.990 2.702 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.296 0.059 3.496 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -6.134 -0.775 2.203 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -5.924 -3.418 2.178 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -5.133 -0.929 5.595 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -6.166 -5.387 3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -5.369 -2.896 7.078 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.883 -5.133 6.125 1.00 0.00 H new ATOM 201 N ILE A 14 -3.039 -2.910 1.138 1.00 0.00 N ATOM 202 CA ILE A 14 -2.804 -3.993 0.185 1.00 0.00 C ATOM 203 C ILE A 14 -3.099 -5.328 0.872 1.00 0.00 C ATOM 204 O ILE A 14 -2.825 -5.507 2.064 1.00 0.00 O ATOM 205 CB ILE A 14 -1.359 -3.910 -0.361 1.00 0.00 C ATOM 206 CG1 ILE A 14 -1.109 -2.603 -1.151 1.00 0.00 C ATOM 207 CG2 ILE A 14 -1.046 -5.089 -1.295 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.706 -1.386 -0.314 1.00 0.00 C ATOM 0 H ILE A 14 -2.387 -2.927 1.922 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.470 -3.904 -0.673 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.709 -3.937 0.514 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.327 -2.789 -1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.015 -2.356 -1.704 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.023 -5.001 -1.662 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -1.156 -6.026 -0.748 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.736 -5.078 -2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.556 -0.527 -0.969 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.494 -1.161 0.405 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.220 -1.601 0.219 1.00 0.00 H new ATOM 220 N GLY A 15 -3.617 -6.285 0.103 1.00 0.00 N ATOM 221 CA GLY A 15 -3.920 -7.641 0.524 1.00 0.00 C ATOM 222 C GLY A 15 -3.663 -8.643 -0.594 1.00 0.00 C ATOM 223 O GLY A 15 -3.407 -8.260 -1.735 1.00 0.00 O ATOM 0 H GLY A 15 -3.846 -6.122 -0.878 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.312 -7.898 1.391 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.963 -7.702 0.836 1.00 0.00 H new ATOM 227 N GLY A 16 -3.742 -9.935 -0.272 1.00 0.00 N ATOM 228 CA GLY A 16 -3.681 -11.032 -1.236 1.00 0.00 C ATOM 229 C GLY A 16 -2.268 -11.428 -1.685 1.00 0.00 C ATOM 230 O GLY A 16 -2.135 -12.193 -2.645 1.00 0.00 O ATOM 0 H GLY A 16 -3.853 -10.254 0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.165 -11.906 -0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.260 -10.754 -2.116 1.00 0.00 H new ATOM 234 N LEU A 17 -1.243 -10.883 -1.022 1.00 0.00 N ATOM 235 CA LEU A 17 0.165 -10.957 -1.419 1.00 0.00 C ATOM 236 C LEU A 17 0.770 -12.366 -1.310 1.00 0.00 C ATOM 237 O LEU A 17 0.213 -13.266 -0.677 1.00 0.00 O ATOM 238 CB LEU A 17 0.993 -9.988 -0.555 1.00 0.00 C ATOM 239 CG LEU A 17 0.650 -8.496 -0.710 1.00 0.00 C ATOM 240 CD1 LEU A 17 1.554 -7.708 0.231 1.00 0.00 C ATOM 241 CD2 LEU A 17 0.833 -8.000 -2.147 1.00 0.00 C ATOM 0 H LEU A 17 -1.378 -10.357 -0.159 1.00 0.00 H new ATOM 0 HA LEU A 17 0.200 -10.681 -2.473 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.866 -10.264 0.492 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.047 -10.126 -0.795 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.402 -8.351 -0.462 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.333 -6.644 0.142 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.380 -8.031 1.258 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.597 -7.885 -0.033 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.578 -6.942 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.871 -8.139 -2.451 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.181 -8.565 -2.813 1.00 0.00 H new ATOM 253 N ASN A 18 1.960 -12.503 -1.903 1.00 0.00 N ATOM 254 CA ASN A 18 2.876 -13.644 -1.849 1.00 0.00 C ATOM 255 C ASN A 18 3.433 -13.835 -0.435 1.00 0.00 C ATOM 256 O ASN A 18 3.168 -13.025 0.457 1.00 0.00 O ATOM 257 CB ASN A 18 4.041 -13.370 -2.817 1.00 0.00 C ATOM 258 CG ASN A 18 4.718 -14.588 -3.421 1.00 0.00 C ATOM 259 OD1 ASN A 18 4.596 -15.717 -2.956 1.00 0.00 O ATOM 260 ND2 ASN A 18 5.476 -14.388 -4.478 1.00 0.00 N ATOM 0 H ASN A 18 2.338 -11.754 -2.482 1.00 0.00 H new ATOM 0 HA ASN A 18 2.338 -14.550 -2.129 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.670 -12.747 -3.631 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.795 -12.787 -2.288 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.963 -15.172 -4.912 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.576 -13.449 -4.863 1.00 0.00 H new ATOM 267 N THR A 19 4.293 -14.833 -0.239 1.00 0.00 N ATOM 268 CA THR A 19 4.949 -15.086 1.045 1.00 0.00 C ATOM 269 C THR A 19 6.439 -14.768 1.059 1.00 0.00 C ATOM 270 O THR A 19 7.047 -14.791 2.128 1.00 0.00 O ATOM 271 CB THR A 19 4.729 -16.540 1.475 1.00 0.00 C ATOM 272 OG1 THR A 19 4.758 -17.457 0.389 1.00 0.00 O ATOM 273 CG2 THR A 19 3.384 -16.680 2.165 1.00 0.00 C ATOM 0 H THR A 19 4.557 -15.493 -0.970 1.00 0.00 H new ATOM 0 HA THR A 19 4.483 -14.401 1.754 1.00 0.00 H new ATOM 0 HB THR A 19 5.552 -16.781 2.148 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.614 -18.366 0.725 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.236 -17.717 2.467 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.358 -16.038 3.046 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.590 -16.386 1.478 1.00 0.00 H new ATOM 281 N GLU A 20 7.030 -14.476 -0.098 1.00 0.00 N ATOM 282 CA GLU A 20 8.474 -14.397 -0.264 1.00 0.00 C ATOM 283 C GLU A 20 8.813 -13.090 -0.994 1.00 0.00 C ATOM 284 O GLU A 20 9.625 -13.064 -1.921 1.00 0.00 O ATOM 285 CB GLU A 20 8.936 -15.680 -0.978 1.00 0.00 C ATOM 286 CG GLU A 20 10.378 -16.080 -0.651 1.00 0.00 C ATOM 287 CD GLU A 20 10.547 -16.595 0.784 1.00 0.00 C ATOM 288 OE1 GLU A 20 9.999 -17.680 1.094 1.00 0.00 O ATOM 289 OE2 GLU A 20 11.226 -15.912 1.584 1.00 0.00 O ATOM 0 H GLU A 20 6.510 -14.286 -0.955 1.00 0.00 H new ATOM 0 HA GLU A 20 9.014 -14.355 0.682 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.270 -16.498 -0.704 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.842 -15.540 -2.055 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.702 -16.852 -1.349 1.00 0.00 H new ATOM 0 HG3 GLU A 20 11.031 -15.220 -0.802 1.00 0.00 H new ATOM 296 N THR A 21 8.128 -12.010 -0.608 1.00 0.00 N ATOM 297 CA THR A 21 8.268 -10.658 -1.136 1.00 0.00 C ATOM 298 C THR A 21 9.108 -9.801 -0.171 1.00 0.00 C ATOM 299 O THR A 21 9.344 -10.197 0.977 1.00 0.00 O ATOM 300 CB THR A 21 6.837 -10.134 -1.390 1.00 0.00 C ATOM 301 OG1 THR A 21 6.262 -10.864 -2.456 1.00 0.00 O ATOM 302 CG2 THR A 21 6.721 -8.659 -1.759 1.00 0.00 C ATOM 0 H THR A 21 7.420 -12.064 0.125 1.00 0.00 H new ATOM 0 HA THR A 21 8.813 -10.622 -2.079 1.00 0.00 H new ATOM 0 HB THR A 21 6.327 -10.263 -0.435 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.353 -10.539 -2.622 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.673 -8.404 -1.914 1.00 0.00 H new ATOM 0 HG22 THR A 21 7.128 -8.049 -0.952 1.00 0.00 H new ATOM 0 HG23 THR A 21 7.280 -8.468 -2.675 1.00 0.00 H new ATOM 310 N ASN A 22 9.593 -8.644 -0.633 1.00 0.00 N ATOM 311 CA ASN A 22 10.284 -7.622 0.146 1.00 0.00 C ATOM 312 C ASN A 22 9.988 -6.236 -0.419 1.00 0.00 C ATOM 313 O ASN A 22 9.617 -6.091 -1.579 1.00 0.00 O ATOM 314 CB ASN A 22 11.805 -7.836 0.202 1.00 0.00 C ATOM 315 CG ASN A 22 12.490 -8.334 -1.071 1.00 0.00 C ATOM 316 OD1 ASN A 22 12.049 -8.089 -2.191 1.00 0.00 O ATOM 317 ND2 ASN A 22 13.590 -9.052 -0.920 1.00 0.00 N ATOM 0 H ASN A 22 9.507 -8.385 -1.616 1.00 0.00 H new ATOM 0 HA ASN A 22 9.906 -7.703 1.165 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.268 -6.891 0.487 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.016 -8.548 1.000 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.082 -9.409 -1.739 1.00 0.00 H new ATOM 0 HD22 ASN A 22 13.946 -9.249 0.015 1.00 0.00 H new ATOM 324 N GLU A 23 10.168 -5.213 0.419 1.00 0.00 N ATOM 325 CA GLU A 23 9.782 -3.816 0.172 1.00 0.00 C ATOM 326 C GLU A 23 10.364 -3.250 -1.127 1.00 0.00 C ATOM 327 O GLU A 23 9.666 -2.568 -1.869 1.00 0.00 O ATOM 328 CB GLU A 23 10.205 -2.935 1.360 1.00 0.00 C ATOM 329 CG GLU A 23 9.468 -3.360 2.637 1.00 0.00 C ATOM 330 CD GLU A 23 9.831 -2.547 3.882 1.00 0.00 C ATOM 331 OE1 GLU A 23 10.632 -1.590 3.793 1.00 0.00 O ATOM 332 OE2 GLU A 23 9.364 -2.938 4.979 1.00 0.00 O ATOM 0 H GLU A 23 10.607 -5.338 1.331 1.00 0.00 H new ATOM 0 HA GLU A 23 8.698 -3.807 0.063 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.282 -3.013 1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.989 -1.890 1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.395 -3.278 2.466 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.681 -4.411 2.831 1.00 0.00 H new ATOM 339 N LYS A 24 11.615 -3.574 -1.453 1.00 0.00 N ATOM 340 CA LYS A 24 12.241 -3.180 -2.721 1.00 0.00 C ATOM 341 C LYS A 24 11.426 -3.622 -3.931 1.00 0.00 C ATOM 342 O LYS A 24 11.470 -2.979 -4.975 1.00 0.00 O ATOM 343 CB LYS A 24 13.661 -3.764 -2.802 1.00 0.00 C ATOM 344 CG LYS A 24 13.660 -5.301 -2.953 1.00 0.00 C ATOM 345 CD LYS A 24 15.071 -5.885 -2.846 1.00 0.00 C ATOM 346 CE LYS A 24 15.714 -5.819 -4.232 1.00 0.00 C ATOM 347 NZ LYS A 24 17.160 -6.092 -4.206 1.00 0.00 N ATOM 0 H LYS A 24 12.227 -4.119 -0.845 1.00 0.00 H new ATOM 0 HA LYS A 24 12.285 -2.091 -2.741 1.00 0.00 H new ATOM 0 HB2 LYS A 24 14.186 -3.319 -3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.215 -3.491 -1.904 1.00 0.00 H new ATOM 0 HG2 LYS A 24 13.025 -5.741 -2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.227 -5.571 -3.916 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.663 -5.323 -2.124 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.032 -6.915 -2.492 1.00 0.00 H new ATOM 0 HE2 LYS A 24 15.225 -6.539 -4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.544 -4.831 -4.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 17.542 -6.034 -5.172 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 17.635 -5.390 -3.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 17.327 -7.045 -3.825 1.00 0.00 H new ATOM 361 N ALA A 25 10.725 -4.746 -3.832 1.00 0.00 N ATOM 362 CA ALA A 25 9.940 -5.276 -4.922 1.00 0.00 C ATOM 363 C ALA A 25 8.604 -4.537 -5.001 1.00 0.00 C ATOM 364 O ALA A 25 8.069 -4.385 -6.094 1.00 0.00 O ATOM 365 CB ALA A 25 9.789 -6.778 -4.703 1.00 0.00 C ATOM 0 H ALA A 25 10.690 -5.313 -2.985 1.00 0.00 H new ATOM 0 HA ALA A 25 10.428 -5.123 -5.885 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.199 -7.206 -5.513 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.774 -7.244 -4.686 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.286 -6.958 -3.753 1.00 0.00 H new ATOM 371 N LEU A 26 8.085 -4.024 -3.878 1.00 0.00 N ATOM 372 CA LEU A 26 6.862 -3.224 -3.831 1.00 0.00 C ATOM 373 C LEU A 26 7.051 -1.879 -4.519 1.00 0.00 C ATOM 374 O LEU A 26 6.093 -1.352 -5.088 1.00 0.00 O ATOM 375 CB LEU A 26 6.404 -2.982 -2.386 1.00 0.00 C ATOM 376 CG LEU A 26 5.638 -4.134 -1.718 1.00 0.00 C ATOM 377 CD1 LEU A 26 4.282 -4.369 -2.396 1.00 0.00 C ATOM 378 CD2 LEU A 26 6.380 -5.457 -1.648 1.00 0.00 C ATOM 0 H LEU A 26 8.514 -4.158 -2.962 1.00 0.00 H new ATOM 0 HA LEU A 26 6.098 -3.794 -4.359 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.282 -2.758 -1.781 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.771 -2.095 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 26 5.510 -3.794 -0.690 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.765 -5.190 -1.900 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.678 -3.464 -2.325 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.438 -4.619 -3.445 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.751 -6.201 -1.159 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.622 -5.792 -2.657 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.300 -5.328 -1.078 1.00 0.00 H new ATOM 390 N GLU A 27 8.276 -1.351 -4.526 1.00 0.00 N ATOM 391 CA GLU A 27 8.603 -0.160 -5.306 1.00 0.00 C ATOM 392 C GLU A 27 8.247 -0.401 -6.785 1.00 0.00 C ATOM 393 O GLU A 27 7.692 0.467 -7.463 1.00 0.00 O ATOM 394 CB GLU A 27 10.101 0.166 -5.216 1.00 0.00 C ATOM 395 CG GLU A 27 10.597 0.609 -3.835 1.00 0.00 C ATOM 396 CD GLU A 27 12.103 0.911 -3.844 1.00 0.00 C ATOM 397 OE1 GLU A 27 12.680 1.241 -4.912 1.00 0.00 O ATOM 398 OE2 GLU A 27 12.744 0.815 -2.773 1.00 0.00 O ATOM 0 H GLU A 27 9.060 -1.733 -3.997 1.00 0.00 H new ATOM 0 HA GLU A 27 8.031 0.675 -4.902 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.666 -0.715 -5.520 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.328 0.954 -5.934 1.00 0.00 H new ATOM 0 HG2 GLU A 27 10.049 1.497 -3.519 1.00 0.00 H new ATOM 0 HG3 GLU A 27 10.387 -0.172 -3.105 1.00 0.00 H new ATOM 405 N ALA A 28 8.543 -1.603 -7.295 1.00 0.00 N ATOM 406 CA ALA A 28 8.230 -2.001 -8.663 1.00 0.00 C ATOM 407 C ALA A 28 6.742 -2.294 -8.848 1.00 0.00 C ATOM 408 O ALA A 28 6.256 -2.295 -9.977 1.00 0.00 O ATOM 409 CB ALA A 28 9.023 -3.249 -9.051 1.00 0.00 C ATOM 0 H ALA A 28 9.013 -2.332 -6.758 1.00 0.00 H new ATOM 0 HA ALA A 28 8.504 -1.163 -9.304 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.778 -3.532 -10.075 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.090 -3.039 -8.979 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.767 -4.067 -8.377 1.00 0.00 H new ATOM 415 N VAL A 29 6.005 -2.583 -7.776 1.00 0.00 N ATOM 416 CA VAL A 29 4.571 -2.801 -7.875 1.00 0.00 C ATOM 417 C VAL A 29 3.901 -1.448 -8.132 1.00 0.00 C ATOM 418 O VAL A 29 3.178 -1.312 -9.119 1.00 0.00 O ATOM 419 CB VAL A 29 4.046 -3.559 -6.637 1.00 0.00 C ATOM 420 CG1 VAL A 29 2.537 -3.769 -6.708 1.00 0.00 C ATOM 421 CG2 VAL A 29 4.673 -4.958 -6.535 1.00 0.00 C ATOM 0 H VAL A 29 6.381 -2.670 -6.832 1.00 0.00 H new ATOM 0 HA VAL A 29 4.321 -3.450 -8.715 1.00 0.00 H new ATOM 0 HB VAL A 29 4.312 -2.946 -5.776 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.202 -4.306 -5.820 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.037 -2.802 -6.757 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.292 -4.350 -7.597 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.284 -5.468 -5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.424 -5.534 -7.426 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.756 -4.866 -6.453 1.00 0.00 H new ATOM 431 N PHE A 30 4.139 -0.444 -7.280 1.00 0.00 N ATOM 432 CA PHE A 30 3.272 0.732 -7.230 1.00 0.00 C ATOM 433 C PHE A 30 3.956 2.053 -7.572 1.00 0.00 C ATOM 434 O PHE A 30 3.246 3.020 -7.846 1.00 0.00 O ATOM 435 CB PHE A 30 2.641 0.841 -5.841 1.00 0.00 C ATOM 436 CG PHE A 30 1.730 -0.291 -5.435 1.00 0.00 C ATOM 437 CD1 PHE A 30 0.453 -0.407 -6.015 1.00 0.00 C ATOM 438 CD2 PHE A 30 2.133 -1.195 -4.434 1.00 0.00 C ATOM 439 CE1 PHE A 30 -0.429 -1.410 -5.577 1.00 0.00 C ATOM 440 CE2 PHE A 30 1.251 -2.197 -3.997 1.00 0.00 C ATOM 441 CZ PHE A 30 -0.035 -2.293 -4.557 1.00 0.00 C ATOM 0 H PHE A 30 4.918 -0.424 -6.622 1.00 0.00 H new ATOM 0 HA PHE A 30 2.522 0.574 -8.005 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.442 0.918 -5.105 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.075 1.771 -5.794 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.151 0.274 -6.796 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.120 -1.118 -4.002 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.408 -1.502 -6.024 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.560 -2.893 -3.231 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.722 -3.047 -4.202 1.00 0.00 H new ATOM 451 N GLY A 31 5.292 2.138 -7.578 1.00 0.00 N ATOM 452 CA GLY A 31 5.971 3.429 -7.718 1.00 0.00 C ATOM 453 C GLY A 31 5.636 4.141 -9.031 1.00 0.00 C ATOM 454 O GLY A 31 5.718 5.365 -9.119 1.00 0.00 O ATOM 0 H GLY A 31 5.917 1.337 -7.489 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.695 4.071 -6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.048 3.275 -7.659 1.00 0.00 H new ATOM 458 N LYS A 32 5.212 3.382 -10.044 1.00 0.00 N ATOM 459 CA LYS A 32 4.921 3.863 -11.384 1.00 0.00 C ATOM 460 C LYS A 32 3.699 4.774 -11.452 1.00 0.00 C ATOM 461 O LYS A 32 3.561 5.495 -12.442 1.00 0.00 O ATOM 462 CB LYS A 32 4.829 2.655 -12.336 1.00 0.00 C ATOM 463 CG LYS A 32 3.689 1.657 -12.030 1.00 0.00 C ATOM 464 CD LYS A 32 4.181 0.200 -12.134 1.00 0.00 C ATOM 465 CE LYS A 32 3.067 -0.857 -12.215 1.00 0.00 C ATOM 466 NZ LYS A 32 2.172 -0.674 -13.381 1.00 0.00 N ATOM 0 H LYS A 32 5.058 2.379 -9.943 1.00 0.00 H new ATOM 0 HA LYS A 32 5.740 4.506 -11.706 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.703 3.024 -13.354 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.777 2.118 -12.307 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.300 1.842 -11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.866 1.816 -12.727 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.814 0.108 -13.017 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.807 -0.019 -11.269 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.518 -1.848 -12.264 1.00 0.00 H new ATOM 0 HE3 LYS A 32 2.474 -0.821 -11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.241 -0.344 -13.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.583 0.030 -14.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.063 -1.580 -13.880 1.00 0.00 H new ATOM 480 N TYR A 33 2.831 4.764 -10.440 1.00 0.00 N ATOM 481 CA TYR A 33 1.643 5.605 -10.434 1.00 0.00 C ATOM 482 C TYR A 33 1.937 7.004 -9.888 1.00 0.00 C ATOM 483 O TYR A 33 1.165 7.916 -10.192 1.00 0.00 O ATOM 484 CB TYR A 33 0.501 4.898 -9.692 1.00 0.00 C ATOM 485 CG TYR A 33 0.074 3.627 -10.399 1.00 0.00 C ATOM 486 CD1 TYR A 33 -0.785 3.697 -11.511 1.00 0.00 C ATOM 487 CD2 TYR A 33 0.639 2.395 -10.022 1.00 0.00 C ATOM 488 CE1 TYR A 33 -1.040 2.549 -12.279 1.00 0.00 C ATOM 489 CE2 TYR A 33 0.391 1.242 -10.785 1.00 0.00 C ATOM 490 CZ TYR A 33 -0.433 1.323 -11.931 1.00 0.00 C ATOM 491 OH TYR A 33 -0.579 0.231 -12.728 1.00 0.00 O ATOM 0 H TYR A 33 2.933 4.178 -9.611 1.00 0.00 H new ATOM 0 HA TYR A 33 1.318 5.758 -11.463 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.819 4.660 -8.677 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.351 5.572 -9.609 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.249 4.636 -11.775 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.265 2.336 -9.144 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.699 2.604 -13.133 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.828 0.297 -10.497 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.532 0.040 -12.850 1.00 0.00 H new ATOM 501 N GLY A 34 3.056 7.219 -9.179 1.00 0.00 N ATOM 502 CA GLY A 34 3.304 8.519 -8.563 1.00 0.00 C ATOM 503 C GLY A 34 4.297 8.551 -7.397 1.00 0.00 C ATOM 504 O GLY A 34 4.174 9.404 -6.524 1.00 0.00 O ATOM 0 H GLY A 34 3.785 6.523 -9.024 1.00 0.00 H new ATOM 0 HA2 GLY A 34 3.665 9.198 -9.336 1.00 0.00 H new ATOM 0 HA3 GLY A 34 2.352 8.915 -8.210 1.00 0.00 H new ATOM 508 N ARG A 35 5.301 7.672 -7.394 1.00 0.00 N ATOM 509 CA ARG A 35 6.449 7.651 -6.478 1.00 0.00 C ATOM 510 C ARG A 35 6.124 7.382 -5.008 1.00 0.00 C ATOM 511 O ARG A 35 5.151 7.844 -4.411 1.00 0.00 O ATOM 512 CB ARG A 35 7.314 8.918 -6.640 1.00 0.00 C ATOM 513 CG ARG A 35 8.334 8.732 -7.759 1.00 0.00 C ATOM 514 CD ARG A 35 9.191 9.968 -8.030 1.00 0.00 C ATOM 515 NE ARG A 35 10.055 9.710 -9.188 1.00 0.00 N ATOM 516 CZ ARG A 35 11.240 10.254 -9.481 1.00 0.00 C ATOM 517 NH1 ARG A 35 11.782 11.216 -8.736 1.00 0.00 N ATOM 518 NH2 ARG A 35 11.879 9.793 -10.552 1.00 0.00 N ATOM 0 H ARG A 35 5.339 6.909 -8.070 1.00 0.00 H new ATOM 0 HA ARG A 35 7.023 6.777 -6.786 1.00 0.00 H new ATOM 0 HB2 ARG A 35 6.677 9.774 -6.860 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.828 9.136 -5.704 1.00 0.00 H new ATOM 0 HG2 ARG A 35 8.988 7.897 -7.506 1.00 0.00 H new ATOM 0 HG3 ARG A 35 7.809 8.459 -8.674 1.00 0.00 H new ATOM 0 HD2 ARG A 35 8.555 10.832 -8.221 1.00 0.00 H new ATOM 0 HD3 ARG A 35 9.796 10.205 -7.155 1.00 0.00 H new ATOM 0 HE ARG A 35 9.705 9.025 -9.858 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.290 11.561 -7.911 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.689 11.608 -8.990 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.462 9.051 -11.115 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.786 10.181 -10.811 1.00 0.00 H new ATOM 532 N ILE A 36 7.013 6.607 -4.396 1.00 0.00 N ATOM 533 CA ILE A 36 6.905 6.121 -3.035 1.00 0.00 C ATOM 534 C ILE A 36 8.054 6.738 -2.245 1.00 0.00 C ATOM 535 O ILE A 36 9.182 6.834 -2.741 1.00 0.00 O ATOM 536 CB ILE A 36 6.964 4.580 -3.069 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.719 3.991 -3.769 1.00 0.00 C ATOM 538 CG2 ILE A 36 7.096 3.989 -1.662 1.00 0.00 C ATOM 539 CD1 ILE A 36 5.919 2.545 -4.234 1.00 0.00 C ATOM 0 H ILE A 36 7.864 6.289 -4.860 1.00 0.00 H new ATOM 0 HA ILE A 36 5.967 6.401 -2.555 1.00 0.00 H new ATOM 0 HB ILE A 36 7.852 4.308 -3.640 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.871 4.032 -3.085 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.465 4.611 -4.629 1.00 0.00 H new ATOM 0 HG21 ILE A 36 7.135 2.902 -1.726 1.00 0.00 H new ATOM 0 HG22 ILE A 36 8.010 4.358 -1.197 1.00 0.00 H new ATOM 0 HG23 ILE A 36 6.237 4.287 -1.060 1.00 0.00 H new ATOM 0 HD11 ILE A 36 5.009 2.189 -4.718 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.747 2.502 -4.942 1.00 0.00 H new ATOM 0 HD13 ILE A 36 6.143 1.914 -3.374 1.00 0.00 H new ATOM 551 N VAL A 37 7.773 7.122 -1.002 1.00 0.00 N ATOM 552 CA VAL A 37 8.760 7.595 -0.033 1.00 0.00 C ATOM 553 C VAL A 37 8.619 6.867 1.313 1.00 0.00 C ATOM 554 O VAL A 37 9.266 7.264 2.286 1.00 0.00 O ATOM 555 CB VAL A 37 8.687 9.136 0.088 1.00 0.00 C ATOM 556 CG1 VAL A 37 9.159 9.793 -1.213 1.00 0.00 C ATOM 557 CG2 VAL A 37 7.273 9.652 0.401 1.00 0.00 C ATOM 0 H VAL A 37 6.823 7.112 -0.630 1.00 0.00 H new ATOM 0 HA VAL A 37 9.760 7.351 -0.391 1.00 0.00 H new ATOM 0 HB VAL A 37 9.337 9.402 0.921 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.103 10.877 -1.114 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.189 9.500 -1.416 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.521 9.470 -2.036 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.290 10.739 0.473 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.592 9.352 -0.395 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.933 9.231 1.347 1.00 0.00 H new ATOM 567 N GLU A 38 7.776 5.829 1.406 1.00 0.00 N ATOM 568 CA GLU A 38 7.577 5.049 2.629 1.00 0.00 C ATOM 569 C GLU A 38 6.865 3.719 2.295 1.00 0.00 C ATOM 570 O GLU A 38 5.713 3.717 1.850 1.00 0.00 O ATOM 571 CB GLU A 38 6.788 5.929 3.618 1.00 0.00 C ATOM 572 CG GLU A 38 6.401 5.260 4.939 1.00 0.00 C ATOM 573 CD GLU A 38 5.534 6.182 5.810 1.00 0.00 C ATOM 574 OE1 GLU A 38 5.516 7.428 5.600 1.00 0.00 O ATOM 575 OE2 GLU A 38 4.874 5.680 6.745 1.00 0.00 O ATOM 0 H GLU A 38 7.208 5.506 0.623 1.00 0.00 H new ATOM 0 HA GLU A 38 8.524 4.774 3.093 1.00 0.00 H new ATOM 0 HB2 GLU A 38 7.382 6.815 3.841 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.878 6.271 3.125 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.859 4.337 4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 38 7.303 4.985 5.486 1.00 0.00 H new ATOM 582 N VAL A 39 7.538 2.583 2.517 1.00 0.00 N ATOM 583 CA VAL A 39 6.996 1.222 2.391 1.00 0.00 C ATOM 584 C VAL A 39 7.093 0.532 3.755 1.00 0.00 C ATOM 585 O VAL A 39 8.122 0.648 4.423 1.00 0.00 O ATOM 586 CB VAL A 39 7.760 0.393 1.325 1.00 0.00 C ATOM 587 CG1 VAL A 39 7.075 -0.963 1.094 1.00 0.00 C ATOM 588 CG2 VAL A 39 7.833 1.074 -0.044 1.00 0.00 C ATOM 0 H VAL A 39 8.517 2.586 2.802 1.00 0.00 H new ATOM 0 HA VAL A 39 5.958 1.288 2.066 1.00 0.00 H new ATOM 0 HB VAL A 39 8.766 0.284 1.729 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.628 -1.527 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 39 7.056 -1.525 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.054 -0.801 0.747 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.381 0.437 -0.738 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.824 1.239 -0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.346 2.031 0.053 1.00 0.00 H new ATOM 598 N LEU A 40 6.065 -0.227 4.138 1.00 0.00 N ATOM 599 CA LEU A 40 6.002 -1.018 5.360 1.00 0.00 C ATOM 600 C LEU A 40 5.563 -2.428 4.969 1.00 0.00 C ATOM 601 O LEU A 40 4.371 -2.661 4.746 1.00 0.00 O ATOM 602 CB LEU A 40 4.981 -0.389 6.333 1.00 0.00 C ATOM 603 CG LEU A 40 5.480 0.606 7.395 1.00 0.00 C ATOM 604 CD1 LEU A 40 6.484 -0.070 8.333 1.00 0.00 C ATOM 605 CD2 LEU A 40 6.037 1.911 6.831 1.00 0.00 C ATOM 0 H LEU A 40 5.217 -0.308 3.577 1.00 0.00 H new ATOM 0 HA LEU A 40 6.971 -1.047 5.857 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.226 0.120 5.734 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.479 -1.203 6.855 1.00 0.00 H new ATOM 0 HG LEU A 40 4.597 0.902 7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.827 0.648 9.078 1.00 0.00 H new ATOM 0 HD12 LEU A 40 6.005 -0.911 8.834 1.00 0.00 H new ATOM 0 HD13 LEU A 40 7.336 -0.429 7.756 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.365 2.551 7.650 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.883 1.694 6.179 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.261 2.421 6.260 1.00 0.00 H new ATOM 617 N LEU A 41 6.487 -3.386 4.851 1.00 0.00 N ATOM 618 CA LEU A 41 6.082 -4.786 4.836 1.00 0.00 C ATOM 619 C LEU A 41 5.826 -5.212 6.283 1.00 0.00 C ATOM 620 O LEU A 41 6.200 -4.539 7.248 1.00 0.00 O ATOM 621 CB LEU A 41 7.125 -5.646 4.103 1.00 0.00 C ATOM 622 CG LEU A 41 6.739 -7.114 3.819 1.00 0.00 C ATOM 623 CD1 LEU A 41 5.388 -7.269 3.114 1.00 0.00 C ATOM 624 CD2 LEU A 41 7.795 -7.735 2.907 1.00 0.00 C ATOM 0 H LEU A 41 7.490 -3.222 4.767 1.00 0.00 H new ATOM 0 HA LEU A 41 5.159 -4.930 4.275 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.355 -5.165 3.152 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.042 -5.643 4.692 1.00 0.00 H new ATOM 0 HG LEU A 41 6.673 -7.606 4.789 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.184 -8.327 2.947 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.602 -6.841 3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.416 -6.750 2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.532 -8.772 2.700 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.840 -7.178 1.971 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.767 -7.698 3.398 1.00 0.00 H new ATOM 636 N MET A 42 5.153 -6.340 6.449 1.00 0.00 N ATOM 637 CA MET A 42 4.829 -6.938 7.719 1.00 0.00 C ATOM 638 C MET A 42 4.884 -8.444 7.530 1.00 0.00 C ATOM 639 O MET A 42 4.568 -8.966 6.455 1.00 0.00 O ATOM 640 CB MET A 42 3.466 -6.421 8.181 1.00 0.00 C ATOM 641 CG MET A 42 2.321 -6.478 7.156 1.00 0.00 C ATOM 642 SD MET A 42 1.179 -5.063 7.230 1.00 0.00 S ATOM 643 CE MET A 42 1.020 -4.839 9.023 1.00 0.00 C ATOM 0 H MET A 42 4.805 -6.883 5.659 1.00 0.00 H new ATOM 0 HA MET A 42 5.534 -6.671 8.506 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.165 -6.993 9.059 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.585 -5.386 8.500 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.748 -6.534 6.155 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.754 -7.396 7.312 1.00 0.00 H new ATOM 0 HE1 MET A 42 0.056 -4.384 9.249 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.089 -5.808 9.518 1.00 0.00 H new ATOM 0 HE3 MET A 42 1.820 -4.191 9.381 1.00 0.00 H new ATOM 653 N LYS A 43 5.351 -9.142 8.563 1.00 0.00 N ATOM 654 CA LYS A 43 5.752 -10.537 8.445 1.00 0.00 C ATOM 655 C LYS A 43 5.069 -11.358 9.509 1.00 0.00 C ATOM 656 O LYS A 43 4.422 -10.845 10.433 1.00 0.00 O ATOM 657 CB LYS A 43 7.281 -10.699 8.538 1.00 0.00 C ATOM 658 CG LYS A 43 8.011 -9.993 7.392 1.00 0.00 C ATOM 659 CD LYS A 43 9.524 -10.189 7.528 1.00 0.00 C ATOM 660 CE LYS A 43 10.332 -9.286 6.588 1.00 0.00 C ATOM 661 NZ LYS A 43 11.755 -9.696 6.573 1.00 0.00 N ATOM 0 H LYS A 43 5.461 -8.756 9.501 1.00 0.00 H new ATOM 0 HA LYS A 43 5.445 -10.895 7.462 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.629 -10.298 9.490 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.533 -11.759 8.528 1.00 0.00 H new ATOM 0 HG2 LYS A 43 7.670 -10.389 6.435 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.773 -8.929 7.400 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.820 -9.989 8.558 1.00 0.00 H new ATOM 0 HD3 LYS A 43 9.770 -11.231 7.322 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.921 -9.340 5.580 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.250 -8.248 6.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 12.289 -9.075 5.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.148 -9.622 7.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.829 -10.680 6.243 1.00 0.00 H new ATOM 675 N ASP A 44 5.197 -12.658 9.323 1.00 0.00 N ATOM 676 CA ASP A 44 4.769 -13.619 10.323 1.00 0.00 C ATOM 677 C ASP A 44 5.791 -13.686 11.468 1.00 0.00 C ATOM 678 O ASP A 44 6.794 -12.967 11.507 1.00 0.00 O ATOM 679 CB ASP A 44 4.598 -14.997 9.683 1.00 0.00 C ATOM 680 CG ASP A 44 3.439 -15.766 10.315 1.00 0.00 C ATOM 681 OD1 ASP A 44 3.510 -16.158 11.495 1.00 0.00 O ATOM 682 OD2 ASP A 44 2.397 -15.899 9.627 1.00 0.00 O ATOM 0 H ASP A 44 5.597 -13.075 8.483 1.00 0.00 H new ATOM 0 HA ASP A 44 3.811 -13.300 10.732 1.00 0.00 H new ATOM 0 HB2 ASP A 44 4.421 -14.884 8.613 1.00 0.00 H new ATOM 0 HB3 ASP A 44 5.519 -15.568 9.795 1.00 0.00 H new ATOM 687 N ARG A 45 5.532 -14.596 12.399 1.00 0.00 N ATOM 688 CA ARG A 45 6.321 -14.958 13.558 1.00 0.00 C ATOM 689 C ARG A 45 6.576 -16.467 13.605 1.00 0.00 C ATOM 690 O ARG A 45 7.440 -16.879 14.369 1.00 0.00 O ATOM 691 CB ARG A 45 5.606 -14.469 14.830 1.00 0.00 C ATOM 692 CG ARG A 45 4.163 -14.975 14.974 1.00 0.00 C ATOM 693 CD ARG A 45 3.096 -14.081 14.329 1.00 0.00 C ATOM 694 NE ARG A 45 2.612 -13.037 15.246 1.00 0.00 N ATOM 695 CZ ARG A 45 1.730 -12.086 14.919 1.00 0.00 C ATOM 696 NH1 ARG A 45 1.202 -12.058 13.702 1.00 0.00 N ATOM 697 NH2 ARG A 45 1.360 -11.164 15.793 1.00 0.00 N ATOM 0 H ARG A 45 4.678 -15.151 12.351 1.00 0.00 H new ATOM 0 HA ARG A 45 7.296 -14.475 13.492 1.00 0.00 H new ATOM 0 HB2 ARG A 45 6.179 -14.787 15.701 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.599 -13.379 14.833 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.097 -15.970 14.533 1.00 0.00 H new ATOM 0 HG3 ARG A 45 3.935 -15.080 16.035 1.00 0.00 H new ATOM 0 HD2 ARG A 45 3.509 -13.613 13.435 1.00 0.00 H new ATOM 0 HD3 ARG A 45 2.256 -14.696 14.007 1.00 0.00 H new ATOM 0 HE ARG A 45 2.975 -13.039 16.199 1.00 0.00 H new ATOM 0 HH11 ARG A 45 1.469 -12.762 13.014 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.530 -11.332 13.454 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.749 -11.170 16.736 1.00 0.00 H new ATOM 0 HH22 ARG A 45 0.686 -10.447 15.524 1.00 0.00 H new ATOM 711 N GLU A 46 5.877 -17.276 12.792 1.00 0.00 N ATOM 712 CA GLU A 46 6.108 -18.713 12.692 1.00 0.00 C ATOM 713 C GLU A 46 7.566 -18.934 12.279 1.00 0.00 C ATOM 714 O GLU A 46 8.350 -19.532 13.016 1.00 0.00 O ATOM 715 CB GLU A 46 5.105 -19.341 11.693 1.00 0.00 C ATOM 716 CG GLU A 46 5.444 -20.801 11.342 1.00 0.00 C ATOM 717 CD GLU A 46 4.541 -21.399 10.260 1.00 0.00 C ATOM 718 OE1 GLU A 46 3.476 -21.975 10.619 1.00 0.00 O ATOM 719 OE2 GLU A 46 4.887 -21.352 9.061 1.00 0.00 O ATOM 0 H GLU A 46 5.130 -16.941 12.183 1.00 0.00 H new ATOM 0 HA GLU A 46 5.943 -19.206 13.650 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.102 -19.298 12.118 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.090 -18.747 10.779 1.00 0.00 H new ATOM 0 HG2 GLU A 46 6.480 -20.854 11.008 1.00 0.00 H new ATOM 0 HG3 GLU A 46 5.368 -21.409 12.243 1.00 0.00 H new ATOM 726 N THR A 47 7.932 -18.453 11.088 1.00 0.00 N ATOM 727 CA THR A 47 9.202 -18.793 10.451 1.00 0.00 C ATOM 728 C THR A 47 9.613 -17.651 9.493 1.00 0.00 C ATOM 729 O THR A 47 10.280 -17.864 8.477 1.00 0.00 O ATOM 730 CB THR A 47 9.031 -20.197 9.817 1.00 0.00 C ATOM 731 OG1 THR A 47 10.256 -20.815 9.473 1.00 0.00 O ATOM 732 CG2 THR A 47 8.101 -20.219 8.621 1.00 0.00 C ATOM 0 H THR A 47 7.354 -17.816 10.540 1.00 0.00 H new ATOM 0 HA THR A 47 10.039 -18.870 11.145 1.00 0.00 H new ATOM 0 HB THR A 47 8.567 -20.778 10.614 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.079 -21.695 9.081 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.032 -21.235 8.232 1.00 0.00 H new ATOM 0 HG22 THR A 47 7.111 -19.878 8.924 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.490 -19.559 7.845 1.00 0.00 H new ATOM 740 N ASN A 48 9.241 -16.411 9.844 1.00 0.00 N ATOM 741 CA ASN A 48 9.586 -15.148 9.169 1.00 0.00 C ATOM 742 C ASN A 48 8.996 -14.977 7.762 1.00 0.00 C ATOM 743 O ASN A 48 9.342 -13.994 7.098 1.00 0.00 O ATOM 744 CB ASN A 48 11.106 -14.884 9.167 1.00 0.00 C ATOM 745 CG ASN A 48 11.671 -14.731 10.561 1.00 0.00 C ATOM 746 OD1 ASN A 48 11.616 -13.650 11.142 1.00 0.00 O ATOM 747 ND2 ASN A 48 12.175 -15.795 11.150 1.00 0.00 N ATOM 0 H ASN A 48 8.652 -16.252 10.661 1.00 0.00 H new ATOM 0 HA ASN A 48 9.100 -14.386 9.778 1.00 0.00 H new ATOM 0 HB2 ASN A 48 11.613 -15.706 8.662 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.313 -13.981 8.594 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.528 -15.730 12.105 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.212 -16.684 10.652 1.00 0.00 H new ATOM 754 N LYS A 49 8.092 -15.862 7.314 1.00 0.00 N ATOM 755 CA LYS A 49 7.409 -15.706 6.020 1.00 0.00 C ATOM 756 C LYS A 49 6.731 -14.338 5.972 1.00 0.00 C ATOM 757 O LYS A 49 6.245 -13.873 7.013 1.00 0.00 O ATOM 758 CB LYS A 49 6.371 -16.816 5.768 1.00 0.00 C ATOM 759 CG LYS A 49 6.950 -18.237 5.618 1.00 0.00 C ATOM 760 CD LYS A 49 5.995 -19.315 6.168 1.00 0.00 C ATOM 761 CE LYS A 49 6.393 -20.739 5.767 1.00 0.00 C ATOM 762 NZ LYS A 49 5.459 -21.726 6.361 1.00 0.00 N ATOM 0 H LYS A 49 7.816 -16.697 7.831 1.00 0.00 H new ATOM 0 HA LYS A 49 8.160 -15.785 5.234 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.657 -16.817 6.592 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.814 -16.571 4.864 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.152 -18.436 4.566 1.00 0.00 H new ATOM 0 HG3 LYS A 49 7.903 -18.296 6.143 1.00 0.00 H new ATOM 0 HD2 LYS A 49 5.968 -19.246 7.255 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.985 -19.113 5.810 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.388 -20.832 4.681 1.00 0.00 H new ATOM 0 HE3 LYS A 49 7.410 -20.946 6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.800 -22.689 6.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 5.407 -21.580 7.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 4.513 -21.603 5.946 1.00 0.00 H new ATOM 776 N SER A 50 6.629 -13.699 4.805 1.00 0.00 N ATOM 777 CA SER A 50 5.737 -12.549 4.695 1.00 0.00 C ATOM 778 C SER A 50 4.287 -13.004 4.920 1.00 0.00 C ATOM 779 O SER A 50 3.968 -14.186 4.746 1.00 0.00 O ATOM 780 CB SER A 50 5.852 -11.875 3.331 1.00 0.00 C ATOM 781 OG SER A 50 7.172 -11.832 2.822 1.00 0.00 O ATOM 0 H SER A 50 7.133 -13.947 3.954 1.00 0.00 H new ATOM 0 HA SER A 50 6.028 -11.823 5.454 1.00 0.00 H new ATOM 0 HB2 SER A 50 5.216 -12.404 2.621 1.00 0.00 H new ATOM 0 HB3 SER A 50 5.469 -10.857 3.406 1.00 0.00 H new ATOM 0 HG SER A 50 7.410 -12.709 2.456 1.00 0.00 H new ATOM 787 N ARG A 51 3.390 -12.077 5.274 1.00 0.00 N ATOM 788 CA ARG A 51 1.954 -12.367 5.323 1.00 0.00 C ATOM 789 C ARG A 51 1.308 -11.847 4.044 1.00 0.00 C ATOM 790 O ARG A 51 1.916 -11.068 3.309 1.00 0.00 O ATOM 791 CB ARG A 51 1.296 -11.802 6.593 1.00 0.00 C ATOM 792 CG ARG A 51 2.168 -11.952 7.851 1.00 0.00 C ATOM 793 CD ARG A 51 1.370 -12.039 9.156 1.00 0.00 C ATOM 794 NE ARG A 51 1.004 -13.429 9.479 1.00 0.00 N ATOM 795 CZ ARG A 51 -0.168 -13.909 9.900 1.00 0.00 C ATOM 796 NH1 ARG A 51 -1.249 -13.143 9.961 1.00 0.00 N ATOM 797 NH2 ARG A 51 -0.245 -15.176 10.264 1.00 0.00 N ATOM 0 H ARG A 51 3.634 -11.120 5.531 1.00 0.00 H new ATOM 0 HA ARG A 51 1.802 -13.445 5.379 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.072 -10.746 6.439 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.345 -12.309 6.757 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.780 -12.848 7.751 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.851 -11.104 7.910 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.959 -11.619 9.971 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.467 -11.435 9.071 1.00 0.00 H new ATOM 0 HE ARG A 51 1.747 -14.118 9.365 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -1.196 -12.163 9.683 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -2.133 -13.534 10.286 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.583 -15.770 10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -1.132 -15.560 10.588 1.00 0.00 H new ATOM 811 N GLY A 52 0.063 -12.235 3.784 1.00 0.00 N ATOM 812 CA GLY A 52 -0.622 -11.920 2.543 1.00 0.00 C ATOM 813 C GLY A 52 -1.276 -10.540 2.592 1.00 0.00 C ATOM 814 O GLY A 52 -2.436 -10.415 2.199 1.00 0.00 O ATOM 0 H GLY A 52 -0.500 -12.781 4.436 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.087 -11.957 1.716 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.382 -12.676 2.345 1.00 0.00 H new ATOM 818 N PHE A 53 -0.603 -9.528 3.141 1.00 0.00 N ATOM 819 CA PHE A 53 -1.036 -8.137 3.254 1.00 0.00 C ATOM 820 C PHE A 53 0.208 -7.302 3.591 1.00 0.00 C ATOM 821 O PHE A 53 1.142 -7.827 4.199 1.00 0.00 O ATOM 822 CB PHE A 53 -2.107 -7.995 4.351 1.00 0.00 C ATOM 823 CG PHE A 53 -1.715 -8.450 5.746 1.00 0.00 C ATOM 824 CD1 PHE A 53 -1.914 -9.784 6.141 1.00 0.00 C ATOM 825 CD2 PHE A 53 -1.169 -7.537 6.664 1.00 0.00 C ATOM 826 CE1 PHE A 53 -1.586 -10.202 7.440 1.00 0.00 C ATOM 827 CE2 PHE A 53 -0.815 -7.959 7.957 1.00 0.00 C ATOM 828 CZ PHE A 53 -1.033 -9.286 8.350 1.00 0.00 C ATOM 0 H PHE A 53 0.322 -9.670 3.546 1.00 0.00 H new ATOM 0 HA PHE A 53 -1.484 -7.792 2.322 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.403 -6.947 4.405 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.987 -8.559 4.043 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.323 -10.494 5.438 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.021 -6.507 6.375 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.758 -11.225 7.739 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.373 -7.258 8.650 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.777 -9.604 9.350 1.00 0.00 H new ATOM 838 N ALA A 54 0.236 -6.023 3.207 1.00 0.00 N ATOM 839 CA ALA A 54 1.323 -5.088 3.506 1.00 0.00 C ATOM 840 C ALA A 54 0.808 -3.649 3.373 1.00 0.00 C ATOM 841 O ALA A 54 -0.368 -3.447 3.042 1.00 0.00 O ATOM 842 CB ALA A 54 2.501 -5.321 2.560 1.00 0.00 C ATOM 0 H ALA A 54 -0.517 -5.598 2.665 1.00 0.00 H new ATOM 0 HA ALA A 54 1.668 -5.253 4.527 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.301 -4.619 2.795 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.867 -6.341 2.679 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.176 -5.170 1.530 1.00 0.00 H new ATOM 848 N PHE A 55 1.658 -2.648 3.617 1.00 0.00 N ATOM 849 CA PHE A 55 1.315 -1.229 3.572 1.00 0.00 C ATOM 850 C PHE A 55 2.320 -0.490 2.665 1.00 0.00 C ATOM 851 O PHE A 55 3.524 -0.755 2.712 1.00 0.00 O ATOM 852 CB PHE A 55 1.279 -0.701 5.026 1.00 0.00 C ATOM 853 CG PHE A 55 1.204 0.809 5.178 1.00 0.00 C ATOM 854 CD1 PHE A 55 0.475 1.590 4.262 1.00 0.00 C ATOM 855 CD2 PHE A 55 1.947 1.449 6.188 1.00 0.00 C ATOM 856 CE1 PHE A 55 0.623 2.985 4.256 1.00 0.00 C ATOM 857 CE2 PHE A 55 2.077 2.848 6.201 1.00 0.00 C ATOM 858 CZ PHE A 55 1.441 3.611 5.212 1.00 0.00 C ATOM 0 H PHE A 55 2.635 -2.811 3.859 1.00 0.00 H new ATOM 0 HA PHE A 55 0.331 -1.057 3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.420 -1.142 5.532 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.170 -1.056 5.544 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.198 1.115 3.564 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.421 0.860 6.959 1.00 0.00 H new ATOM 0 HE1 PHE A 55 0.108 3.579 3.516 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.663 3.332 6.968 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.580 4.682 5.185 1.00 0.00 H new ATOM 868 N VAL A 56 1.834 0.412 1.806 1.00 0.00 N ATOM 869 CA VAL A 56 2.629 1.274 0.935 1.00 0.00 C ATOM 870 C VAL A 56 2.030 2.676 1.054 1.00 0.00 C ATOM 871 O VAL A 56 0.805 2.818 1.161 1.00 0.00 O ATOM 872 CB VAL A 56 2.603 0.755 -0.523 1.00 0.00 C ATOM 873 CG1 VAL A 56 3.497 1.582 -1.461 1.00 0.00 C ATOM 874 CG2 VAL A 56 3.063 -0.709 -0.621 1.00 0.00 C ATOM 0 H VAL A 56 0.832 0.565 1.697 1.00 0.00 H new ATOM 0 HA VAL A 56 3.678 1.284 1.230 1.00 0.00 H new ATOM 0 HB VAL A 56 1.562 0.846 -0.834 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.441 1.174 -2.470 1.00 0.00 H new ATOM 0 HG12 VAL A 56 3.157 2.617 -1.469 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.528 1.542 -1.110 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.029 -1.032 -1.661 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.083 -0.796 -0.247 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.403 -1.338 -0.024 1.00 0.00 H new ATOM 884 N THR A 57 2.892 3.685 1.025 1.00 0.00 N ATOM 885 CA THR A 57 2.567 5.098 1.106 1.00 0.00 C ATOM 886 C THR A 57 3.116 5.767 -0.150 1.00 0.00 C ATOM 887 O THR A 57 4.000 5.220 -0.815 1.00 0.00 O ATOM 888 CB THR A 57 3.236 5.723 2.344 1.00 0.00 C ATOM 889 OG1 THR A 57 3.497 4.772 3.350 1.00 0.00 O ATOM 890 CG2 THR A 57 2.417 6.862 2.961 1.00 0.00 C ATOM 0 H THR A 57 3.896 3.526 0.939 1.00 0.00 H new ATOM 0 HA THR A 57 1.488 5.234 1.186 1.00 0.00 H new ATOM 0 HB THR A 57 4.176 6.128 1.969 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.652 4.390 3.667 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.943 7.259 3.829 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.283 7.654 2.224 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.442 6.484 3.269 1.00 0.00 H new ATOM 898 N PHE A 58 2.652 6.981 -0.440 1.00 0.00 N ATOM 899 CA PHE A 58 3.110 7.738 -1.595 1.00 0.00 C ATOM 900 C PHE A 58 3.468 9.140 -1.142 1.00 0.00 C ATOM 901 O PHE A 58 3.045 9.587 -0.067 1.00 0.00 O ATOM 902 CB PHE A 58 2.041 7.694 -2.696 1.00 0.00 C ATOM 903 CG PHE A 58 1.726 6.261 -3.088 1.00 0.00 C ATOM 904 CD1 PHE A 58 0.798 5.503 -2.344 1.00 0.00 C ATOM 905 CD2 PHE A 58 2.472 5.636 -4.102 1.00 0.00 C ATOM 906 CE1 PHE A 58 0.648 4.129 -2.590 1.00 0.00 C ATOM 907 CE2 PHE A 58 2.276 4.275 -4.392 1.00 0.00 C ATOM 908 CZ PHE A 58 1.375 3.517 -3.624 1.00 0.00 C ATOM 0 H PHE A 58 1.949 7.464 0.120 1.00 0.00 H new ATOM 0 HA PHE A 58 4.009 7.302 -2.031 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.134 8.188 -2.348 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.389 8.246 -3.569 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.200 5.981 -1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.200 6.205 -4.661 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.027 3.543 -1.984 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.817 3.812 -5.204 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.242 2.465 -3.829 1.00 0.00 H new ATOM 918 N GLU A 59 4.260 9.828 -1.960 1.00 0.00 N ATOM 919 CA GLU A 59 4.738 11.164 -1.631 1.00 0.00 C ATOM 920 C GLU A 59 3.551 12.122 -1.523 1.00 0.00 C ATOM 921 O GLU A 59 3.505 12.934 -0.600 1.00 0.00 O ATOM 922 CB GLU A 59 5.824 11.550 -2.644 1.00 0.00 C ATOM 923 CG GLU A 59 6.597 12.847 -2.336 1.00 0.00 C ATOM 924 CD GLU A 59 6.156 14.066 -3.163 1.00 0.00 C ATOM 925 OE1 GLU A 59 5.220 14.794 -2.734 1.00 0.00 O ATOM 926 OE2 GLU A 59 6.788 14.384 -4.193 1.00 0.00 O ATOM 0 H GLU A 59 4.585 9.478 -2.861 1.00 0.00 H new ATOM 0 HA GLU A 59 5.214 11.211 -0.652 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.539 10.730 -2.712 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.360 11.650 -3.625 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.481 13.081 -1.278 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.659 12.672 -2.509 1.00 0.00 H new ATOM 933 N SER A 60 2.534 11.952 -2.370 1.00 0.00 N ATOM 934 CA SER A 60 1.372 12.821 -2.460 1.00 0.00 C ATOM 935 C SER A 60 0.079 12.001 -2.342 1.00 0.00 C ATOM 936 O SER A 60 0.037 10.851 -2.783 1.00 0.00 O ATOM 937 CB SER A 60 1.487 13.541 -3.806 1.00 0.00 C ATOM 938 OG SER A 60 0.271 14.089 -4.279 1.00 0.00 O ATOM 0 H SER A 60 2.501 11.177 -3.032 1.00 0.00 H new ATOM 0 HA SER A 60 1.336 13.547 -1.647 1.00 0.00 H new ATOM 0 HB2 SER A 60 2.222 14.341 -3.715 1.00 0.00 H new ATOM 0 HB3 SER A 60 1.869 12.840 -4.548 1.00 0.00 H new ATOM 0 HG SER A 60 0.425 14.532 -5.139 1.00 0.00 H new ATOM 944 N PRO A 61 -1.020 12.586 -1.827 1.00 0.00 N ATOM 945 CA PRO A 61 -2.326 11.940 -1.792 1.00 0.00 C ATOM 946 C PRO A 61 -2.952 11.791 -3.184 1.00 0.00 C ATOM 947 O PRO A 61 -3.758 10.876 -3.385 1.00 0.00 O ATOM 948 CB PRO A 61 -3.187 12.835 -0.902 1.00 0.00 C ATOM 949 CG PRO A 61 -2.579 14.225 -1.074 1.00 0.00 C ATOM 950 CD PRO A 61 -1.093 13.925 -1.255 1.00 0.00 C ATOM 0 HA PRO A 61 -2.243 10.922 -1.411 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.232 12.816 -1.210 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.155 12.512 0.138 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.995 14.744 -1.938 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.761 14.856 -0.204 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.625 14.657 -1.913 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.567 13.971 -0.302 1.00 0.00 H new ATOM 958 N ALA A 62 -2.595 12.653 -4.145 1.00 0.00 N ATOM 959 CA ALA A 62 -3.059 12.524 -5.522 1.00 0.00 C ATOM 960 C ALA A 62 -2.299 11.419 -6.253 1.00 0.00 C ATOM 961 O ALA A 62 -2.806 10.813 -7.196 1.00 0.00 O ATOM 962 CB ALA A 62 -2.916 13.866 -6.249 1.00 0.00 C ATOM 0 H ALA A 62 -1.981 13.452 -3.986 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.113 12.245 -5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.264 13.762 -7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.513 14.622 -5.738 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.869 14.170 -6.250 1.00 0.00 H new ATOM 968 N ASP A 63 -1.095 11.102 -5.789 1.00 0.00 N ATOM 969 CA ASP A 63 -0.333 9.971 -6.296 1.00 0.00 C ATOM 970 C ASP A 63 -0.731 8.687 -5.577 1.00 0.00 C ATOM 971 O ASP A 63 -0.678 7.608 -6.168 1.00 0.00 O ATOM 972 CB ASP A 63 1.160 10.286 -6.199 1.00 0.00 C ATOM 973 CG ASP A 63 1.604 11.224 -7.337 1.00 0.00 C ATOM 974 OD1 ASP A 63 1.063 11.128 -8.461 1.00 0.00 O ATOM 975 OD2 ASP A 63 2.443 12.126 -7.112 1.00 0.00 O ATOM 0 H ASP A 63 -0.622 11.623 -5.051 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.561 9.803 -7.348 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.375 10.750 -5.236 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.734 9.360 -6.242 1.00 0.00 H new ATOM 980 N ALA A 64 -1.228 8.785 -4.340 1.00 0.00 N ATOM 981 CA ALA A 64 -1.742 7.633 -3.613 1.00 0.00 C ATOM 982 C ALA A 64 -3.060 7.167 -4.207 1.00 0.00 C ATOM 983 O ALA A 64 -3.222 5.971 -4.442 1.00 0.00 O ATOM 984 CB ALA A 64 -1.909 7.944 -2.125 1.00 0.00 C ATOM 0 H ALA A 64 -1.283 9.662 -3.822 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.013 6.829 -3.710 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.294 7.064 -1.610 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.944 8.219 -1.700 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.608 8.771 -2.002 1.00 0.00 H new ATOM 990 N LYS A 65 -4.010 8.091 -4.430 1.00 0.00 N ATOM 991 CA LYS A 65 -5.329 7.688 -4.918 1.00 0.00 C ATOM 992 C LYS A 65 -5.196 6.887 -6.204 1.00 0.00 C ATOM 993 O LYS A 65 -5.814 5.835 -6.326 1.00 0.00 O ATOM 994 CB LYS A 65 -6.291 8.879 -5.066 1.00 0.00 C ATOM 995 CG LYS A 65 -5.964 9.894 -6.171 1.00 0.00 C ATOM 996 CD LYS A 65 -6.772 11.190 -5.999 1.00 0.00 C ATOM 997 CE LYS A 65 -6.615 12.147 -7.188 1.00 0.00 C ATOM 998 NZ LYS A 65 -7.411 11.734 -8.359 1.00 0.00 N ATOM 0 H LYS A 65 -3.891 9.093 -4.284 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.779 7.041 -4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -7.292 8.488 -5.248 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.325 9.410 -4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -4.898 10.123 -6.153 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -6.180 9.456 -7.145 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -7.826 10.942 -5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -6.452 11.694 -5.087 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -6.916 13.150 -6.884 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.563 12.201 -7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -7.269 12.414 -9.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.108 10.789 -8.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -8.418 11.708 -8.102 1.00 0.00 H new ATOM 1012 N ASP A 66 -4.380 7.349 -7.141 1.00 0.00 N ATOM 1013 CA ASP A 66 -4.270 6.749 -8.453 1.00 0.00 C ATOM 1014 C ASP A 66 -3.692 5.350 -8.395 1.00 0.00 C ATOM 1015 O ASP A 66 -4.058 4.502 -9.214 1.00 0.00 O ATOM 1016 CB ASP A 66 -3.405 7.624 -9.353 1.00 0.00 C ATOM 1017 CG ASP A 66 -4.311 8.437 -10.265 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -5.167 9.177 -9.715 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -4.242 8.288 -11.500 1.00 0.00 O ATOM 0 H ASP A 66 -3.773 8.157 -7.006 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.277 6.674 -8.862 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.784 8.287 -8.751 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.731 7.005 -9.945 1.00 0.00 H new ATOM 1024 N ALA A 67 -2.833 5.069 -7.406 1.00 0.00 N ATOM 1025 CA ALA A 67 -2.257 3.741 -7.278 1.00 0.00 C ATOM 1026 C ALA A 67 -3.311 2.676 -6.906 1.00 0.00 C ATOM 1027 O ALA A 67 -3.001 1.482 -6.960 1.00 0.00 O ATOM 1028 CB ALA A 67 -1.091 3.743 -6.290 1.00 0.00 C ATOM 0 H ALA A 67 -2.531 5.738 -6.697 1.00 0.00 H new ATOM 0 HA ALA A 67 -1.869 3.465 -8.258 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.678 2.737 -6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.318 4.427 -6.641 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.444 4.066 -5.311 1.00 0.00 H new ATOM 1034 N ALA A 68 -4.557 3.080 -6.620 1.00 0.00 N ATOM 1035 CA ALA A 68 -5.715 2.209 -6.410 1.00 0.00 C ATOM 1036 C ALA A 68 -6.792 2.294 -7.513 1.00 0.00 C ATOM 1037 O ALA A 68 -7.905 1.803 -7.311 1.00 0.00 O ATOM 1038 CB ALA A 68 -6.330 2.565 -5.059 1.00 0.00 C ATOM 0 H ALA A 68 -4.792 4.068 -6.525 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.355 1.181 -6.442 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.197 1.930 -4.875 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.593 2.409 -4.271 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.640 3.610 -5.064 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.532 2.956 -8.645 1.00 0.00 N ATOM 1045 CA ARG A 69 -7.538 3.185 -9.696 1.00 0.00 C ATOM 1046 C ARG A 69 -7.264 2.412 -10.978 1.00 0.00 C ATOM 1047 O ARG A 69 -8.066 2.454 -11.906 1.00 0.00 O ATOM 1048 CB ARG A 69 -7.685 4.686 -9.970 1.00 0.00 C ATOM 1049 CG ARG A 69 -8.112 5.500 -8.743 1.00 0.00 C ATOM 1050 CD ARG A 69 -9.601 5.403 -8.429 1.00 0.00 C ATOM 1051 NE ARG A 69 -9.992 4.125 -7.810 1.00 0.00 N ATOM 1052 CZ ARG A 69 -11.235 3.802 -7.438 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -12.182 4.728 -7.325 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -11.516 2.539 -7.156 1.00 0.00 N ATOM 0 H ARG A 69 -5.617 3.350 -8.862 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.483 2.796 -9.317 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.735 5.073 -10.339 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.418 4.831 -10.764 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -7.544 5.159 -7.877 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -7.851 6.546 -8.904 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -9.877 6.220 -7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.167 5.539 -9.350 1.00 0.00 H new ATOM 0 HE ARG A 69 -9.259 3.434 -7.653 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -11.966 5.705 -7.523 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.124 4.462 -7.040 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -10.789 1.827 -7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -12.460 2.278 -6.871 1.00 0.00 H new ATOM 1068 N ASP A 70 -6.171 1.670 -11.043 1.00 0.00 N ATOM 1069 CA ASP A 70 -5.820 0.794 -12.147 1.00 0.00 C ATOM 1070 C ASP A 70 -5.467 -0.579 -11.587 1.00 0.00 C ATOM 1071 O ASP A 70 -6.108 -1.561 -11.942 1.00 0.00 O ATOM 1072 CB ASP A 70 -4.669 1.389 -12.957 1.00 0.00 C ATOM 1073 CG ASP A 70 -4.134 0.358 -13.940 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -4.790 0.131 -14.981 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -3.025 -0.175 -13.703 1.00 0.00 O ATOM 0 H ASP A 70 -5.476 1.662 -10.297 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.666 0.690 -12.827 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.012 2.273 -13.495 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.872 1.713 -12.288 1.00 0.00 H new ATOM 1080 N MET A 71 -4.497 -0.659 -10.677 1.00 0.00 N ATOM 1081 CA MET A 71 -3.908 -1.877 -10.120 1.00 0.00 C ATOM 1082 C MET A 71 -4.826 -2.683 -9.185 1.00 0.00 C ATOM 1083 O MET A 71 -4.443 -3.782 -8.778 1.00 0.00 O ATOM 1084 CB MET A 71 -2.626 -1.502 -9.348 1.00 0.00 C ATOM 1085 CG MET A 71 -1.356 -1.896 -10.100 1.00 0.00 C ATOM 1086 SD MET A 71 0.059 -2.192 -9.021 1.00 0.00 S ATOM 1087 CE MET A 71 -0.454 -3.755 -8.260 1.00 0.00 C ATOM 0 H MET A 71 -4.073 0.181 -10.283 1.00 0.00 H new ATOM 0 HA MET A 71 -3.710 -2.525 -10.974 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.617 -0.428 -9.164 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.635 -1.992 -8.374 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.553 -2.796 -10.682 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.104 -1.107 -10.808 1.00 0.00 H new ATOM 0 HE1 MET A 71 -0.176 -3.755 -7.206 1.00 0.00 H new ATOM 0 HE2 MET A 71 -1.535 -3.866 -8.350 1.00 0.00 H new ATOM 0 HE3 MET A 71 0.039 -4.585 -8.766 1.00 0.00 H new ATOM 1097 N ASN A 72 -5.998 -2.178 -8.791 1.00 0.00 N ATOM 1098 CA ASN A 72 -6.885 -2.913 -7.892 1.00 0.00 C ATOM 1099 C ASN A 72 -7.399 -4.197 -8.552 1.00 0.00 C ATOM 1100 O ASN A 72 -7.599 -4.240 -9.770 1.00 0.00 O ATOM 1101 CB ASN A 72 -8.039 -2.012 -7.444 1.00 0.00 C ATOM 1102 CG ASN A 72 -9.023 -1.738 -8.574 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -8.691 -1.036 -9.527 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -10.228 -2.264 -8.505 1.00 0.00 N ATOM 0 H ASN A 72 -6.352 -1.266 -9.080 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.320 -3.210 -7.009 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.564 -2.482 -6.613 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -7.639 -1.068 -7.075 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -10.903 -2.091 -9.250 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -10.486 -2.844 -7.707 1.00 0.00 H new ATOM 1111 N GLY A 73 -7.568 -5.238 -7.735 1.00 0.00 N ATOM 1112 CA GLY A 73 -8.087 -6.560 -8.078 1.00 0.00 C ATOM 1113 C GLY A 73 -7.450 -7.149 -9.337 1.00 0.00 C ATOM 1114 O GLY A 73 -8.136 -7.317 -10.349 1.00 0.00 O ATOM 0 H GLY A 73 -7.328 -5.173 -6.746 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -7.917 -7.238 -7.242 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.166 -6.494 -8.221 1.00 0.00 H new ATOM 1118 N LYS A 74 -6.143 -7.428 -9.294 1.00 0.00 N ATOM 1119 CA LYS A 74 -5.388 -8.088 -10.354 1.00 0.00 C ATOM 1120 C LYS A 74 -4.528 -9.212 -9.801 1.00 0.00 C ATOM 1121 O LYS A 74 -4.384 -9.333 -8.582 1.00 0.00 O ATOM 1122 CB LYS A 74 -4.502 -7.059 -11.057 1.00 0.00 C ATOM 1123 CG LYS A 74 -3.373 -6.505 -10.172 1.00 0.00 C ATOM 1124 CD LYS A 74 -2.557 -5.406 -10.866 1.00 0.00 C ATOM 1125 CE LYS A 74 -1.211 -5.839 -11.469 1.00 0.00 C ATOM 1126 NZ LYS A 74 -1.324 -6.894 -12.493 1.00 0.00 N ATOM 0 H LYS A 74 -5.564 -7.190 -8.488 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.094 -8.521 -11.063 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.064 -7.516 -11.945 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.123 -6.231 -11.398 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -3.801 -6.107 -9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -2.708 -7.320 -9.887 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.167 -4.977 -11.661 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -2.369 -4.611 -10.144 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -0.726 -4.969 -11.911 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -0.563 -6.193 -10.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -0.507 -6.844 -13.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -1.345 -7.825 -12.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.200 -6.758 -13.037 1.00 0.00 H new ATOM 1140 N SER A 75 -3.873 -9.962 -10.685 1.00 0.00 N ATOM 1141 CA SER A 75 -2.832 -10.867 -10.266 1.00 0.00 C ATOM 1142 C SER A 75 -1.516 -10.130 -10.103 1.00 0.00 C ATOM 1143 O SER A 75 -1.279 -9.088 -10.719 1.00 0.00 O ATOM 1144 CB SER A 75 -2.743 -12.065 -11.209 1.00 0.00 C ATOM 1145 OG SER A 75 -1.880 -11.887 -12.313 1.00 0.00 O ATOM 0 H SER A 75 -4.052 -9.954 -11.689 1.00 0.00 H new ATOM 0 HA SER A 75 -3.082 -11.270 -9.285 1.00 0.00 H new ATOM 0 HB2 SER A 75 -2.409 -12.933 -10.641 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.742 -12.293 -11.580 1.00 0.00 H new ATOM 0 HG SER A 75 -1.880 -12.698 -12.863 1.00 0.00 H new ATOM 1151 N LEU A 76 -0.642 -10.724 -9.307 1.00 0.00 N ATOM 1152 CA LEU A 76 0.738 -10.320 -9.125 1.00 0.00 C ATOM 1153 C LEU A 76 1.504 -11.608 -8.871 1.00 0.00 C ATOM 1154 O LEU A 76 1.281 -12.278 -7.855 1.00 0.00 O ATOM 1155 CB LEU A 76 0.849 -9.356 -7.935 1.00 0.00 C ATOM 1156 CG LEU A 76 2.205 -8.629 -7.882 1.00 0.00 C ATOM 1157 CD1 LEU A 76 2.270 -7.521 -8.941 1.00 0.00 C ATOM 1158 CD2 LEU A 76 2.423 -7.992 -6.506 1.00 0.00 C ATOM 0 H LEU A 76 -0.889 -11.539 -8.745 1.00 0.00 H new ATOM 0 HA LEU A 76 1.137 -9.792 -9.991 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.048 -8.619 -7.994 1.00 0.00 H new ATOM 0 HB3 LEU A 76 0.703 -9.911 -7.008 1.00 0.00 H new ATOM 0 HG LEU A 76 2.980 -9.371 -8.075 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.237 -7.021 -8.885 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.144 -7.957 -9.932 1.00 0.00 H new ATOM 0 HD13 LEU A 76 1.476 -6.797 -8.759 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.387 -7.483 -6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.629 -7.272 -6.309 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.409 -8.767 -5.740 1.00 0.00 H new ATOM 1170 N ASP A 77 2.354 -11.981 -9.831 1.00 0.00 N ATOM 1171 CA ASP A 77 3.184 -13.188 -9.755 1.00 0.00 C ATOM 1172 C ASP A 77 2.345 -14.448 -9.494 1.00 0.00 C ATOM 1173 O ASP A 77 2.777 -15.379 -8.822 1.00 0.00 O ATOM 1174 CB ASP A 77 4.343 -13.004 -8.752 1.00 0.00 C ATOM 1175 CG ASP A 77 5.281 -11.870 -9.141 1.00 0.00 C ATOM 1176 OD1 ASP A 77 5.819 -11.902 -10.265 1.00 0.00 O ATOM 1177 OD2 ASP A 77 5.451 -10.921 -8.335 1.00 0.00 O ATOM 0 H ASP A 77 2.487 -11.449 -10.691 1.00 0.00 H new ATOM 0 HA ASP A 77 3.643 -13.343 -10.731 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.933 -12.808 -7.761 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.910 -13.932 -8.684 1.00 0.00 H new ATOM 1182 N GLY A 78 1.121 -14.496 -10.021 1.00 0.00 N ATOM 1183 CA GLY A 78 0.236 -15.641 -9.890 1.00 0.00 C ATOM 1184 C GLY A 78 -0.489 -15.716 -8.552 1.00 0.00 C ATOM 1185 O GLY A 78 -1.093 -16.751 -8.271 1.00 0.00 O ATOM 0 H GLY A 78 0.716 -13.728 -10.557 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.503 -15.609 -10.690 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.816 -16.553 -10.028 1.00 0.00 H new ATOM 1189 N LYS A 79 -0.461 -14.663 -7.732 1.00 0.00 N ATOM 1190 CA LYS A 79 -1.317 -14.506 -6.554 1.00 0.00 C ATOM 1191 C LYS A 79 -2.361 -13.438 -6.899 1.00 0.00 C ATOM 1192 O LYS A 79 -2.181 -12.744 -7.900 1.00 0.00 O ATOM 1193 CB LYS A 79 -0.461 -14.123 -5.330 1.00 0.00 C ATOM 1194 CG LYS A 79 0.769 -15.024 -5.070 1.00 0.00 C ATOM 1195 CD LYS A 79 0.439 -16.524 -4.990 1.00 0.00 C ATOM 1196 CE LYS A 79 1.526 -17.360 -4.295 1.00 0.00 C ATOM 1197 NZ LYS A 79 2.770 -17.532 -5.075 1.00 0.00 N ATOM 0 H LYS A 79 0.173 -13.877 -7.872 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.825 -15.434 -6.293 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.117 -13.096 -5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.096 -14.140 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.498 -14.865 -5.865 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.242 -14.716 -4.137 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.502 -16.652 -4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.287 -16.908 -5.999 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.773 -16.890 -3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 79 1.117 -18.345 -4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.990 -18.545 -5.159 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 2.644 -17.126 -6.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.553 -17.046 -4.592 1.00 0.00 H new ATOM 1211 N ALA A 80 -3.465 -13.307 -6.165 1.00 0.00 N ATOM 1212 CA ALA A 80 -4.559 -12.371 -6.438 1.00 0.00 C ATOM 1213 C ALA A 80 -4.515 -11.249 -5.409 1.00 0.00 C ATOM 1214 O ALA A 80 -4.886 -11.477 -4.259 1.00 0.00 O ATOM 1215 CB ALA A 80 -5.903 -13.105 -6.394 1.00 0.00 C ATOM 0 H ALA A 80 -3.630 -13.871 -5.331 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.445 -11.944 -7.435 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -6.709 -12.400 -6.598 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -5.911 -13.894 -7.146 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.046 -13.544 -5.406 1.00 0.00 H new ATOM 1221 N ILE A 81 -4.047 -10.065 -5.807 1.00 0.00 N ATOM 1222 CA ILE A 81 -3.792 -8.956 -4.896 1.00 0.00 C ATOM 1223 C ILE A 81 -4.935 -7.942 -4.900 1.00 0.00 C ATOM 1224 O ILE A 81 -5.654 -7.778 -5.895 1.00 0.00 O ATOM 1225 CB ILE A 81 -2.444 -8.277 -5.212 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -2.392 -7.722 -6.657 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.303 -9.287 -4.996 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -1.395 -6.577 -6.853 1.00 0.00 C ATOM 0 H ILE A 81 -3.833 -9.850 -6.781 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.733 -9.371 -3.890 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.330 -7.429 -4.537 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.134 -8.534 -7.337 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.387 -7.375 -6.937 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.348 -8.810 -5.219 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.307 -9.625 -3.960 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.444 -10.142 -5.657 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.420 -6.246 -7.891 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.663 -5.746 -6.201 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.391 -6.923 -6.607 1.00 0.00 H new ATOM 1240 N LYS A 82 -5.048 -7.190 -3.805 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.062 -6.162 -3.599 1.00 0.00 C ATOM 1242 C LYS A 82 -5.432 -4.846 -3.180 1.00 0.00 C ATOM 1243 O LYS A 82 -4.315 -4.840 -2.659 1.00 0.00 O ATOM 1244 CB LYS A 82 -7.063 -6.653 -2.544 1.00 0.00 C ATOM 1245 CG LYS A 82 -8.060 -7.584 -3.244 1.00 0.00 C ATOM 1246 CD LYS A 82 -9.241 -7.956 -2.353 1.00 0.00 C ATOM 1247 CE LYS A 82 -10.317 -8.550 -3.268 1.00 0.00 C ATOM 1248 NZ LYS A 82 -11.416 -9.159 -2.505 1.00 0.00 N ATOM 0 H LYS A 82 -4.414 -7.285 -3.012 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.585 -5.982 -4.538 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.546 -7.180 -1.742 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.582 -5.810 -2.088 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.430 -7.100 -4.148 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.545 -8.493 -3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.940 -8.676 -1.593 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.621 -7.079 -1.829 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -10.715 -7.768 -3.915 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.867 -9.301 -3.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -12.121 -9.548 -3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -11.042 -9.923 -1.907 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -11.864 -8.437 -1.905 1.00 0.00 H new ATOM 1262 N VAL A 83 -6.146 -3.748 -3.418 1.00 0.00 N ATOM 1263 CA VAL A 83 -5.824 -2.403 -2.975 1.00 0.00 C ATOM 1264 C VAL A 83 -7.158 -1.822 -2.499 1.00 0.00 C ATOM 1265 O VAL A 83 -8.170 -2.037 -3.163 1.00 0.00 O ATOM 1266 CB VAL A 83 -5.223 -1.564 -4.129 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -4.760 -0.198 -3.613 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -4.006 -2.194 -4.821 1.00 0.00 C ATOM 0 H VAL A 83 -7.012 -3.780 -3.956 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.072 -2.398 -2.186 1.00 0.00 H new ATOM 0 HB VAL A 83 -6.034 -1.494 -4.854 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.340 0.379 -4.437 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.610 0.338 -3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -4.000 -0.338 -2.844 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.656 -1.533 -5.614 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.208 -2.340 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.288 -3.156 -5.248 1.00 0.00 H new ATOM 1278 N GLU A 84 -7.179 -1.091 -1.383 1.00 0.00 N ATOM 1279 CA GLU A 84 -8.329 -0.301 -0.954 1.00 0.00 C ATOM 1280 C GLU A 84 -7.823 0.981 -0.295 1.00 0.00 C ATOM 1281 O GLU A 84 -6.678 1.073 0.171 1.00 0.00 O ATOM 1282 CB GLU A 84 -9.196 -1.031 0.093 1.00 0.00 C ATOM 1283 CG GLU A 84 -9.364 -2.556 0.032 1.00 0.00 C ATOM 1284 CD GLU A 84 -10.425 -3.143 -0.903 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -11.412 -2.462 -1.271 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -10.372 -4.377 -1.097 1.00 0.00 O ATOM 0 H GLU A 84 -6.386 -1.032 -0.745 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.934 -0.111 -1.840 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -8.788 -0.790 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -10.194 -0.594 0.047 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.402 -2.983 -0.251 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -9.584 -2.905 1.041 1.00 0.00 H new ATOM 1293 N GLN A 85 -8.726 1.946 -0.163 1.00 0.00 N ATOM 1294 CA GLN A 85 -8.516 3.176 0.575 1.00 0.00 C ATOM 1295 C GLN A 85 -8.805 2.862 2.041 1.00 0.00 C ATOM 1296 O GLN A 85 -9.968 2.719 2.436 1.00 0.00 O ATOM 1297 CB GLN A 85 -9.472 4.276 0.073 1.00 0.00 C ATOM 1298 CG GLN A 85 -9.487 4.460 -1.451 1.00 0.00 C ATOM 1299 CD GLN A 85 -8.220 5.084 -2.016 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -7.670 4.609 -2.997 1.00 0.00 O ATOM 1301 NE2 GLN A 85 -7.748 6.184 -1.463 1.00 0.00 N ATOM 0 H GLN A 85 -9.654 1.887 -0.583 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.497 3.539 0.441 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.483 4.042 0.408 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.193 5.222 0.538 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -9.641 3.489 -1.921 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -10.338 5.084 -1.722 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.208 6.581 -0.643 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -6.923 6.638 -1.855 1.00 0.00 H new ATOM 1310 N ALA A 86 -7.778 2.720 2.873 1.00 0.00 N ATOM 1311 CA ALA A 86 -7.977 2.596 4.314 1.00 0.00 C ATOM 1312 C ALA A 86 -8.186 3.980 4.937 1.00 0.00 C ATOM 1313 O ALA A 86 -7.352 4.441 5.726 1.00 0.00 O ATOM 1314 CB ALA A 86 -6.821 1.833 4.945 1.00 0.00 C ATOM 0 H ALA A 86 -6.803 2.688 2.576 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.879 2.017 4.511 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.984 1.749 6.019 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.761 0.836 4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.889 2.367 4.760 1.00 0.00 H new ATOM 1320 N THR A 87 -9.257 4.665 4.541 1.00 0.00 N ATOM 1321 CA THR A 87 -9.846 5.774 5.271 1.00 0.00 C ATOM 1322 C THR A 87 -11.340 5.841 4.931 1.00 0.00 C ATOM 1323 O THR A 87 -11.878 4.998 4.206 1.00 0.00 O ATOM 1324 CB THR A 87 -9.070 7.088 5.034 1.00 0.00 C ATOM 1325 OG1 THR A 87 -9.418 8.030 6.032 1.00 0.00 O ATOM 1326 CG2 THR A 87 -9.280 7.691 3.643 1.00 0.00 C ATOM 0 H THR A 87 -9.751 4.453 3.674 1.00 0.00 H new ATOM 0 HA THR A 87 -9.765 5.614 6.346 1.00 0.00 H new ATOM 0 HB THR A 87 -8.011 6.839 5.094 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.924 8.863 5.882 1.00 0.00 H new ATOM 0 HG21 THR A 87 -8.702 8.611 3.554 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.950 6.981 2.885 1.00 0.00 H new ATOM 0 HG23 THR A 87 -10.338 7.911 3.498 1.00 0.00 H new