USER MOD reduce.3.24.130724 H: found=0, std=0, add=695, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 699 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 76 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 155:sc= -0.14 (180deg=-0.707) USER MOD Single : A 19 LYS NZ :NH3+ -155:sc= -1.28 (180deg=-2.67!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-0.71) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 158:sc= 0.39! (180deg=0.011) USER MOD Single : A 39 CYS SG : rot 41:sc= 0.43 USER MOD Single : A 42 TYR OH : rot 150:sc= -0.488 USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 9:sc= 0.0411 USER MOD Single : A 54 SER OG : rot 119:sc= 0.481 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.239 K(o=-0.24,f=-1.8!) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -3.19! C(o=-3.2!,f=-3!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0.54 (180deg=0.54) USER MOD Single : A 81 HIS : no HE2:sc= -0.657 X(o=-0.66,f=-0.73) USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 97 GLN : amide:sc= -2.07! C(o=-2.1!,f=-5!) USER MOD Single : A 102 GLN : amide:sc= 0 X(o=0,f=-0.0059) USER MOD Single : A 104 MET CE :methyl -179:sc= -2.55 (180deg=-2.56) USER MOD ----------------------------------------------------------------- ATOM 104 N VAL A 11 -1.023 -1.390 13.229 1.00 0.00 N ATOM 105 CA VAL A 11 -0.941 -2.198 12.018 1.00 0.00 C ATOM 106 C VAL A 11 -2.291 -2.272 11.314 1.00 0.00 C ATOM 107 O VAL A 11 -3.338 -2.350 11.960 1.00 0.00 O ATOM 108 CB VAL A 11 -0.457 -3.627 12.328 1.00 0.00 C ATOM 109 CG1 VAL A 11 -0.597 -4.516 11.102 1.00 0.00 C ATOM 110 CG2 VAL A 11 0.982 -3.607 12.821 1.00 0.00 C ATOM 0 HA VAL A 11 -0.219 -1.712 11.362 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.082 -4.040 13.120 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -0.250 -5.522 11.340 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -1.643 -4.555 10.799 1.00 0.00 H new ATOM 0 HG13 VAL A 11 0.002 -4.109 10.287 1.00 0.00 H new ATOM 0 HG21 VAL A 11 1.307 -4.625 13.035 1.00 0.00 H new ATOM 0 HG22 VAL A 11 1.624 -3.175 12.053 1.00 0.00 H new ATOM 0 HG23 VAL A 11 1.047 -3.007 13.728 1.00 0.00 H new ATOM 120 N THR A 12 -2.262 -2.247 9.985 1.00 0.00 N ATOM 121 CA THR A 12 -3.484 -2.311 9.193 1.00 0.00 C ATOM 122 C THR A 12 -3.816 -3.748 8.809 1.00 0.00 C ATOM 123 O THR A 12 -4.934 -4.217 9.022 1.00 0.00 O ATOM 124 CB THR A 12 -3.367 -1.463 7.912 1.00 0.00 C ATOM 125 OG1 THR A 12 -2.633 -0.264 8.184 1.00 0.00 O ATOM 126 CG2 THR A 12 -4.744 -1.110 7.370 1.00 0.00 C ATOM 0 H THR A 12 -1.406 -2.183 9.435 1.00 0.00 H new ATOM 0 HA THR A 12 -4.285 -1.910 9.814 1.00 0.00 H new ATOM 0 HB THR A 12 -2.838 -2.049 7.161 1.00 0.00 H new ATOM 0 HG1 THR A 12 -2.561 0.269 7.365 1.00 0.00 H new ATOM 0 HG21 THR A 12 -4.636 -0.511 6.466 1.00 0.00 H new ATOM 0 HG22 THR A 12 -5.289 -2.025 7.137 1.00 0.00 H new ATOM 0 HG23 THR A 12 -5.295 -0.541 8.119 1.00 0.00 H new ATOM 134 N LYS A 13 -2.837 -4.445 8.241 1.00 0.00 N ATOM 135 CA LYS A 13 -3.024 -5.831 7.828 1.00 0.00 C ATOM 136 C LYS A 13 -1.691 -6.573 7.794 1.00 0.00 C ATOM 137 O LYS A 13 -0.667 -6.010 7.408 1.00 0.00 O ATOM 138 CB LYS A 13 -3.687 -5.889 6.450 1.00 0.00 C ATOM 139 CG LYS A 13 -4.068 -7.294 6.017 1.00 0.00 C ATOM 140 CD LYS A 13 -4.802 -7.288 4.687 1.00 0.00 C ATOM 141 CE LYS A 13 -5.498 -8.616 4.428 1.00 0.00 C ATOM 142 NZ LYS A 13 -6.507 -8.927 5.479 1.00 0.00 N ATOM 0 H LYS A 13 -1.906 -4.072 8.056 1.00 0.00 H new ATOM 0 HA LYS A 13 -3.672 -6.317 8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.581 -5.266 6.460 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.009 -5.462 5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -3.170 -7.906 5.935 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.698 -7.752 6.779 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.537 -6.483 4.680 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -4.097 -7.083 3.882 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.986 -8.587 3.454 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -4.756 -9.414 4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.230 -9.565 5.089 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.038 -9.387 6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.959 -8.046 5.798 1.00 0.00 H new ATOM 156 N ALA A 14 -1.713 -7.838 8.199 1.00 0.00 N ATOM 157 CA ALA A 14 -0.508 -8.657 8.211 1.00 0.00 C ATOM 158 C ALA A 14 -0.839 -10.125 7.964 1.00 0.00 C ATOM 159 O ALA A 14 -1.681 -10.705 8.648 1.00 0.00 O ATOM 160 CB ALA A 14 0.227 -8.495 9.533 1.00 0.00 C ATOM 0 H ALA A 14 -2.553 -8.318 8.523 1.00 0.00 H new ATOM 0 HA ALA A 14 0.140 -8.317 7.403 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.125 -9.113 9.528 1.00 0.00 H new ATOM 0 HB2 ALA A 14 0.506 -7.450 9.669 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -0.423 -8.806 10.351 1.00 0.00 H new ATOM 166 N GLY A 15 -0.171 -10.721 6.980 1.00 0.00 N ATOM 167 CA GLY A 15 -0.409 -12.116 6.660 1.00 0.00 C ATOM 168 C GLY A 15 0.621 -12.675 5.699 1.00 0.00 C ATOM 169 O GLY A 15 1.378 -11.923 5.085 1.00 0.00 O ATOM 0 H GLY A 15 0.531 -10.262 6.399 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -0.400 -12.703 7.579 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.403 -12.221 6.224 1.00 0.00 H new ATOM 173 N TRP A 16 0.652 -13.996 5.571 1.00 0.00 N ATOM 174 CA TRP A 16 1.600 -14.655 4.679 1.00 0.00 C ATOM 175 C TRP A 16 1.188 -14.479 3.221 1.00 0.00 C ATOM 176 O TRP A 16 0.069 -14.820 2.836 1.00 0.00 O ATOM 177 CB TRP A 16 1.700 -16.143 5.017 1.00 0.00 C ATOM 178 CG TRP A 16 2.367 -16.410 6.332 1.00 0.00 C ATOM 179 CD1 TRP A 16 1.756 -16.729 7.511 1.00 0.00 C ATOM 180 CD2 TRP A 16 3.772 -16.377 6.603 1.00 0.00 C ATOM 181 NE1 TRP A 16 2.697 -16.898 8.498 1.00 0.00 N ATOM 182 CE2 TRP A 16 3.942 -16.688 7.966 1.00 0.00 C ATOM 183 CE3 TRP A 16 4.905 -16.119 5.826 1.00 0.00 C ATOM 184 CZ2 TRP A 16 5.197 -16.745 8.566 1.00 0.00 C ATOM 185 CZ3 TRP A 16 6.149 -16.175 6.423 1.00 0.00 C ATOM 186 CH2 TRP A 16 6.288 -16.487 7.782 1.00 0.00 C ATOM 0 H TRP A 16 0.032 -14.632 6.073 1.00 0.00 H new ATOM 0 HA TRP A 16 2.576 -14.191 4.820 1.00 0.00 H new ATOM 0 HB2 TRP A 16 0.698 -16.573 5.032 1.00 0.00 H new ATOM 0 HB3 TRP A 16 2.253 -16.651 4.227 1.00 0.00 H new ATOM 0 HD1 TRP A 16 0.690 -16.833 7.648 1.00 0.00 H new ATOM 0 HE1 TRP A 16 2.501 -17.140 9.469 1.00 0.00 H new ATOM 0 HE3 TRP A 16 4.809 -15.880 4.777 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 5.305 -16.984 9.614 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 7.030 -15.975 5.832 1.00 0.00 H new ATOM 0 HH2 TRP A 16 7.275 -16.524 8.219 1.00 0.00 H new ATOM 197 N LEU A 17 2.098 -13.945 2.414 1.00 0.00 N ATOM 198 CA LEU A 17 1.829 -13.724 0.997 1.00 0.00 C ATOM 199 C LEU A 17 3.025 -14.137 0.145 1.00 0.00 C ATOM 200 O LEU A 17 4.176 -13.954 0.542 1.00 0.00 O ATOM 201 CB LEU A 17 1.492 -12.253 0.745 1.00 0.00 C ATOM 202 CG LEU A 17 0.056 -11.830 1.059 1.00 0.00 C ATOM 203 CD1 LEU A 17 -0.078 -10.316 1.004 1.00 0.00 C ATOM 204 CD2 LEU A 17 -0.917 -12.489 0.091 1.00 0.00 C ATOM 0 H LEU A 17 3.029 -13.657 2.716 1.00 0.00 H new ATOM 0 HA LEU A 17 0.975 -14.339 0.714 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.169 -11.639 1.339 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.695 -12.029 -0.302 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.188 -12.159 2.069 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -1.106 -10.033 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.592 -9.865 1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.184 -9.964 0.006 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.934 -12.177 0.329 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.675 -12.190 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.840 -13.573 0.179 1.00 0.00 H new ATOM 216 N PHE A 18 2.744 -14.693 -1.029 1.00 0.00 N ATOM 217 CA PHE A 18 3.797 -15.131 -1.938 1.00 0.00 C ATOM 218 C PHE A 18 4.106 -14.051 -2.971 1.00 0.00 C ATOM 219 O PHE A 18 3.208 -13.538 -3.638 1.00 0.00 O ATOM 220 CB PHE A 18 3.385 -16.424 -2.644 1.00 0.00 C ATOM 221 CG PHE A 18 3.405 -17.629 -1.747 1.00 0.00 C ATOM 222 CD1 PHE A 18 2.675 -17.644 -0.569 1.00 0.00 C ATOM 223 CD2 PHE A 18 4.153 -18.746 -2.081 1.00 0.00 C ATOM 224 CE1 PHE A 18 2.693 -18.751 0.259 1.00 0.00 C ATOM 225 CE2 PHE A 18 4.175 -19.856 -1.258 1.00 0.00 C ATOM 226 CZ PHE A 18 3.442 -19.859 -0.087 1.00 0.00 C ATOM 0 H PHE A 18 1.797 -14.851 -1.373 1.00 0.00 H new ATOM 0 HA PHE A 18 4.696 -15.317 -1.351 1.00 0.00 H new ATOM 0 HB2 PHE A 18 2.382 -16.302 -3.053 1.00 0.00 H new ATOM 0 HB3 PHE A 18 4.054 -16.597 -3.487 1.00 0.00 H new ATOM 0 HD1 PHE A 18 2.086 -16.782 -0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 18 4.726 -18.750 -2.996 1.00 0.00 H new ATOM 0 HE1 PHE A 18 2.122 -18.750 1.176 1.00 0.00 H new ATOM 0 HE2 PHE A 18 4.764 -20.719 -1.530 1.00 0.00 H new ATOM 0 HZ PHE A 18 3.455 -20.726 0.557 1.00 0.00 H new ATOM 236 N LYS A 19 5.384 -13.711 -3.098 1.00 0.00 N ATOM 237 CA LYS A 19 5.816 -12.694 -4.049 1.00 0.00 C ATOM 238 C LYS A 19 6.629 -13.316 -5.180 1.00 0.00 C ATOM 239 O LYS A 19 7.684 -13.903 -4.946 1.00 0.00 O ATOM 240 CB LYS A 19 6.646 -11.622 -3.339 1.00 0.00 C ATOM 241 CG LYS A 19 6.905 -10.391 -4.190 1.00 0.00 C ATOM 242 CD LYS A 19 7.269 -9.188 -3.335 1.00 0.00 C ATOM 243 CE LYS A 19 8.752 -9.174 -2.998 1.00 0.00 C ATOM 244 NZ LYS A 19 9.173 -10.416 -2.293 1.00 0.00 N ATOM 0 H LYS A 19 6.140 -14.126 -2.553 1.00 0.00 H new ATOM 0 HA LYS A 19 4.927 -12.232 -4.477 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.131 -11.321 -2.427 1.00 0.00 H new ATOM 0 HB3 LYS A 19 7.601 -12.053 -3.039 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.712 -10.597 -4.893 1.00 0.00 H new ATOM 0 HG3 LYS A 19 6.018 -10.163 -4.781 1.00 0.00 H new ATOM 0 HD2 LYS A 19 7.006 -8.272 -3.863 1.00 0.00 H new ATOM 0 HD3 LYS A 19 6.685 -9.204 -2.415 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.331 -9.063 -3.914 1.00 0.00 H new ATOM 0 HE3 LYS A 19 8.974 -8.309 -2.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.019 -10.221 -1.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.404 -10.741 -1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 9.390 -11.155 -2.992 1.00 0.00 H new ATOM 258 N GLN A 20 6.130 -13.181 -6.404 1.00 0.00 N ATOM 259 CA GLN A 20 6.812 -13.730 -7.571 1.00 0.00 C ATOM 260 C GLN A 20 8.321 -13.544 -7.456 1.00 0.00 C ATOM 261 O GLN A 20 8.794 -12.544 -6.918 1.00 0.00 O ATOM 262 CB GLN A 20 6.299 -13.062 -8.848 1.00 0.00 C ATOM 263 CG GLN A 20 6.404 -13.946 -10.081 1.00 0.00 C ATOM 264 CD GLN A 20 5.500 -13.486 -11.207 1.00 0.00 C ATOM 265 OE1 GLN A 20 5.606 -12.354 -11.681 1.00 0.00 O ATOM 266 NE2 GLN A 20 4.603 -14.363 -11.643 1.00 0.00 N ATOM 0 H GLN A 20 5.257 -12.697 -6.614 1.00 0.00 H new ATOM 0 HA GLN A 20 6.599 -14.798 -7.617 1.00 0.00 H new ATOM 0 HB2 GLN A 20 5.257 -12.775 -8.705 1.00 0.00 H new ATOM 0 HB3 GLN A 20 6.862 -12.145 -9.020 1.00 0.00 H new ATOM 0 HG2 GLN A 20 7.437 -13.955 -10.430 1.00 0.00 H new ATOM 0 HG3 GLN A 20 6.149 -14.971 -9.811 1.00 0.00 H new ATOM 0 HE21 GLN A 20 4.550 -15.290 -11.222 1.00 0.00 H new ATOM 0 HE22 GLN A 20 3.967 -14.109 -12.399 1.00 0.00 H new ATOM 275 N ALA A 21 9.072 -14.515 -7.966 1.00 0.00 N ATOM 276 CA ALA A 21 10.528 -14.457 -7.923 1.00 0.00 C ATOM 277 C ALA A 21 11.057 -13.297 -8.759 1.00 0.00 C ATOM 278 O ALA A 21 11.182 -13.404 -9.979 1.00 0.00 O ATOM 279 CB ALA A 21 11.122 -15.772 -8.406 1.00 0.00 C ATOM 0 H ALA A 21 8.696 -15.351 -8.414 1.00 0.00 H new ATOM 0 HA ALA A 21 10.830 -14.292 -6.889 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.210 -15.715 -8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 21 10.779 -16.584 -7.764 1.00 0.00 H new ATOM 0 HB3 ALA A 21 10.803 -15.960 -9.431 1.00 0.00 H new ATOM 352 N GLN A 27 9.137 -18.596 -10.133 1.00 0.00 N ATOM 353 CA GLN A 27 8.679 -19.317 -8.951 1.00 0.00 C ATOM 354 C GLN A 27 8.004 -18.371 -7.963 1.00 0.00 C ATOM 355 O GLN A 27 8.021 -17.154 -8.144 1.00 0.00 O ATOM 356 CB GLN A 27 9.853 -20.027 -8.275 1.00 0.00 C ATOM 357 CG GLN A 27 10.906 -19.076 -7.729 1.00 0.00 C ATOM 358 CD GLN A 27 12.077 -19.802 -7.097 1.00 0.00 C ATOM 359 OE1 GLN A 27 11.966 -20.967 -6.712 1.00 0.00 O ATOM 360 NE2 GLN A 27 13.209 -19.117 -6.987 1.00 0.00 N ATOM 0 HA GLN A 27 7.948 -20.060 -9.270 1.00 0.00 H new ATOM 0 HB2 GLN A 27 9.474 -20.643 -7.460 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.321 -20.701 -8.992 1.00 0.00 H new ATOM 0 HG2 GLN A 27 11.270 -18.441 -8.537 1.00 0.00 H new ATOM 0 HG3 GLN A 27 10.448 -18.419 -6.989 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.257 -18.154 -7.319 1.00 0.00 H new ATOM 0 HE22 GLN A 27 14.031 -19.554 -6.570 1.00 0.00 H new ATOM 369 N TRP A 28 7.411 -18.939 -6.920 1.00 0.00 N ATOM 370 CA TRP A 28 6.729 -18.146 -5.903 1.00 0.00 C ATOM 371 C TRP A 28 7.236 -18.498 -4.508 1.00 0.00 C ATOM 372 O TRP A 28 7.183 -19.654 -4.093 1.00 0.00 O ATOM 373 CB TRP A 28 5.218 -18.368 -5.982 1.00 0.00 C ATOM 374 CG TRP A 28 4.598 -17.799 -7.222 1.00 0.00 C ATOM 375 CD1 TRP A 28 4.639 -18.332 -8.478 1.00 0.00 C ATOM 376 CD2 TRP A 28 3.846 -16.585 -7.324 1.00 0.00 C ATOM 377 NE1 TRP A 28 3.958 -17.523 -9.355 1.00 0.00 N ATOM 378 CE2 TRP A 28 3.461 -16.445 -8.672 1.00 0.00 C ATOM 379 CE3 TRP A 28 3.458 -15.603 -6.408 1.00 0.00 C ATOM 380 CZ2 TRP A 28 2.709 -15.364 -9.123 1.00 0.00 C ATOM 381 CZ3 TRP A 28 2.712 -14.530 -6.857 1.00 0.00 C ATOM 382 CH2 TRP A 28 2.343 -14.418 -8.204 1.00 0.00 C ATOM 0 H TRP A 28 7.388 -19.945 -6.756 1.00 0.00 H new ATOM 0 HA TRP A 28 6.944 -17.094 -6.093 1.00 0.00 H new ATOM 0 HB2 TRP A 28 5.012 -19.438 -5.940 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.746 -17.918 -5.109 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.134 -19.254 -8.743 1.00 0.00 H new ATOM 0 HE1 TRP A 28 3.841 -17.697 -10.353 1.00 0.00 H new ATOM 0 HE3 TRP A 28 3.736 -15.682 -5.367 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.424 -15.275 -10.161 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 2.408 -13.765 -6.158 1.00 0.00 H new ATOM 0 HH2 TRP A 28 1.758 -13.568 -8.524 1.00 0.00 H new ATOM 393 N ASN A 29 7.725 -17.492 -3.790 1.00 0.00 N ATOM 394 CA ASN A 29 8.241 -17.696 -2.441 1.00 0.00 C ATOM 395 C ASN A 29 7.358 -16.999 -1.410 1.00 0.00 C ATOM 396 O ASN A 29 6.851 -15.904 -1.649 1.00 0.00 O ATOM 397 CB ASN A 29 9.675 -17.175 -2.337 1.00 0.00 C ATOM 398 CG ASN A 29 10.581 -17.757 -3.405 1.00 0.00 C ATOM 399 OD1 ASN A 29 11.026 -18.900 -3.302 1.00 0.00 O ATOM 400 ND2 ASN A 29 10.858 -16.971 -4.438 1.00 0.00 N ATOM 0 H ASN A 29 7.775 -16.528 -4.119 1.00 0.00 H new ATOM 0 HA ASN A 29 8.235 -18.766 -2.234 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.671 -16.088 -2.421 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.076 -17.417 -1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.462 -17.308 -5.188 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.467 -16.030 -4.482 1.00 0.00 H new ATOM 407 N LYS A 30 7.180 -17.642 -0.261 1.00 0.00 N ATOM 408 CA LYS A 30 6.361 -17.085 0.809 1.00 0.00 C ATOM 409 C LYS A 30 7.139 -16.040 1.602 1.00 0.00 C ATOM 410 O LYS A 30 8.356 -16.144 1.756 1.00 0.00 O ATOM 411 CB LYS A 30 5.882 -18.198 1.745 1.00 0.00 C ATOM 412 CG LYS A 30 5.278 -17.684 3.040 1.00 0.00 C ATOM 413 CD LYS A 30 5.157 -18.790 4.076 1.00 0.00 C ATOM 414 CE LYS A 30 3.857 -19.563 3.918 1.00 0.00 C ATOM 415 NZ LYS A 30 3.998 -20.695 2.960 1.00 0.00 N ATOM 0 H LYS A 30 7.592 -18.550 -0.047 1.00 0.00 H new ATOM 0 HA LYS A 30 5.495 -16.602 0.356 1.00 0.00 H new ATOM 0 HB2 LYS A 30 5.142 -18.806 1.225 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.723 -18.851 1.980 1.00 0.00 H new ATOM 0 HG2 LYS A 30 5.896 -16.879 3.437 1.00 0.00 H new ATOM 0 HG3 LYS A 30 4.293 -17.261 2.841 1.00 0.00 H new ATOM 0 HD2 LYS A 30 6.001 -19.473 3.981 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.206 -18.360 5.076 1.00 0.00 H new ATOM 0 HE2 LYS A 30 3.542 -19.946 4.889 1.00 0.00 H new ATOM 0 HE3 LYS A 30 3.074 -18.889 3.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 3.257 -21.401 3.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 3.902 -20.340 1.987 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 4.933 -21.135 3.078 1.00 0.00 H new ATOM 429 N ARG A 31 6.429 -15.034 2.102 1.00 0.00 N ATOM 430 CA ARG A 31 7.054 -13.970 2.879 1.00 0.00 C ATOM 431 C ARG A 31 6.025 -13.258 3.752 1.00 0.00 C ATOM 432 O ARG A 31 4.865 -13.112 3.367 1.00 0.00 O ATOM 433 CB ARG A 31 7.734 -12.963 1.950 1.00 0.00 C ATOM 434 CG ARG A 31 8.962 -12.306 2.558 1.00 0.00 C ATOM 435 CD ARG A 31 10.088 -13.308 2.758 1.00 0.00 C ATOM 436 NE ARG A 31 11.403 -12.686 2.630 1.00 0.00 N ATOM 437 CZ ARG A 31 11.864 -12.168 1.496 1.00 0.00 C ATOM 438 NH1 ARG A 31 11.120 -12.198 0.400 1.00 0.00 N ATOM 439 NH2 ARG A 31 13.071 -11.620 1.459 1.00 0.00 N ATOM 0 H ARG A 31 5.421 -14.933 1.983 1.00 0.00 H new ATOM 0 HA ARG A 31 7.805 -14.421 3.527 1.00 0.00 H new ATOM 0 HB2 ARG A 31 8.022 -13.469 1.028 1.00 0.00 H new ATOM 0 HB3 ARG A 31 7.016 -12.190 1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 31 9.303 -11.499 1.910 1.00 0.00 H new ATOM 0 HG3 ARG A 31 8.699 -11.856 3.516 1.00 0.00 H new ATOM 0 HD2 ARG A 31 9.997 -13.764 3.744 1.00 0.00 H new ATOM 0 HD3 ARG A 31 9.994 -14.110 2.026 1.00 0.00 H new ATOM 0 HE ARG A 31 12.000 -12.647 3.456 1.00 0.00 H new ATOM 0 HH11 ARG A 31 10.191 -12.619 0.425 1.00 0.00 H new ATOM 0 HH12 ARG A 31 11.476 -11.800 -0.469 1.00 0.00 H new ATOM 0 HH21 ARG A 31 13.646 -11.596 2.301 1.00 0.00 H new ATOM 0 HH22 ARG A 31 13.424 -11.223 0.589 1.00 0.00 H new ATOM 453 N TRP A 32 6.457 -12.819 4.928 1.00 0.00 N ATOM 454 CA TRP A 32 5.573 -12.123 5.857 1.00 0.00 C ATOM 455 C TRP A 32 5.383 -10.669 5.441 1.00 0.00 C ATOM 456 O TRP A 32 6.347 -9.910 5.342 1.00 0.00 O ATOM 457 CB TRP A 32 6.136 -12.191 7.277 1.00 0.00 C ATOM 458 CG TRP A 32 5.179 -11.697 8.320 1.00 0.00 C ATOM 459 CD1 TRP A 32 5.373 -10.656 9.182 1.00 0.00 C ATOM 460 CD2 TRP A 32 3.881 -12.225 8.610 1.00 0.00 C ATOM 461 NE1 TRP A 32 4.272 -10.505 9.991 1.00 0.00 N ATOM 462 CE2 TRP A 32 3.343 -11.455 9.659 1.00 0.00 C ATOM 463 CE3 TRP A 32 3.119 -13.272 8.084 1.00 0.00 C ATOM 464 CZ2 TRP A 32 2.080 -11.701 10.191 1.00 0.00 C ATOM 465 CZ3 TRP A 32 1.866 -13.515 8.613 1.00 0.00 C ATOM 466 CH2 TRP A 32 1.356 -12.732 9.657 1.00 0.00 C ATOM 0 H TRP A 32 7.414 -12.932 5.262 1.00 0.00 H new ATOM 0 HA TRP A 32 4.602 -12.617 5.835 1.00 0.00 H new ATOM 0 HB2 TRP A 32 6.408 -13.222 7.503 1.00 0.00 H new ATOM 0 HB3 TRP A 32 7.052 -11.601 7.326 1.00 0.00 H new ATOM 0 HD1 TRP A 32 6.260 -10.042 9.222 1.00 0.00 H new ATOM 0 HE1 TRP A 32 4.164 -9.800 10.720 1.00 0.00 H new ATOM 0 HE3 TRP A 32 3.503 -13.880 7.278 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 1.686 -11.099 10.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 1.269 -14.322 8.215 1.00 0.00 H new ATOM 0 HH2 TRP A 32 0.372 -12.946 10.048 1.00 0.00 H new ATOM 477 N PHE A 33 4.134 -10.286 5.198 1.00 0.00 N ATOM 478 CA PHE A 33 3.817 -8.922 4.791 1.00 0.00 C ATOM 479 C PHE A 33 2.987 -8.215 5.859 1.00 0.00 C ATOM 480 O PHE A 33 2.081 -8.804 6.447 1.00 0.00 O ATOM 481 CB PHE A 33 3.062 -8.926 3.461 1.00 0.00 C ATOM 482 CG PHE A 33 3.924 -9.275 2.282 1.00 0.00 C ATOM 483 CD1 PHE A 33 4.183 -10.599 1.964 1.00 0.00 C ATOM 484 CD2 PHE A 33 4.478 -8.280 1.493 1.00 0.00 C ATOM 485 CE1 PHE A 33 4.976 -10.924 0.880 1.00 0.00 C ATOM 486 CE2 PHE A 33 5.271 -8.599 0.407 1.00 0.00 C ATOM 487 CZ PHE A 33 5.522 -9.923 0.101 1.00 0.00 C ATOM 0 H PHE A 33 3.324 -10.901 5.276 1.00 0.00 H new ATOM 0 HA PHE A 33 4.754 -8.380 4.666 1.00 0.00 H new ATOM 0 HB2 PHE A 33 2.239 -9.638 3.522 1.00 0.00 H new ATOM 0 HB3 PHE A 33 2.621 -7.942 3.300 1.00 0.00 H new ATOM 0 HD1 PHE A 33 3.760 -11.386 2.571 1.00 0.00 H new ATOM 0 HD2 PHE A 33 4.288 -7.243 1.729 1.00 0.00 H new ATOM 0 HE1 PHE A 33 5.169 -11.960 0.642 1.00 0.00 H new ATOM 0 HE2 PHE A 33 5.694 -7.814 -0.202 1.00 0.00 H new ATOM 0 HZ PHE A 33 6.144 -10.174 -0.746 1.00 0.00 H new ATOM 497 N VAL A 34 3.305 -6.947 6.103 1.00 0.00 N ATOM 498 CA VAL A 34 2.589 -6.159 7.099 1.00 0.00 C ATOM 499 C VAL A 34 2.193 -4.797 6.540 1.00 0.00 C ATOM 500 O VAL A 34 2.980 -3.850 6.566 1.00 0.00 O ATOM 501 CB VAL A 34 3.437 -5.954 8.368 1.00 0.00 C ATOM 502 CG1 VAL A 34 2.710 -5.056 9.357 1.00 0.00 C ATOM 503 CG2 VAL A 34 3.778 -7.293 9.002 1.00 0.00 C ATOM 0 H VAL A 34 4.053 -6.444 5.625 1.00 0.00 H new ATOM 0 HA VAL A 34 1.690 -6.718 7.359 1.00 0.00 H new ATOM 0 HB VAL A 34 4.369 -5.464 8.086 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.325 -4.923 10.247 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.522 -4.086 8.897 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.762 -5.515 9.636 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.378 -7.129 9.897 1.00 0.00 H new ATOM 0 HG22 VAL A 34 2.859 -7.813 9.271 1.00 0.00 H new ATOM 0 HG23 VAL A 34 4.343 -7.898 8.293 1.00 0.00 H new ATOM 513 N LEU A 35 0.967 -4.704 6.035 1.00 0.00 N ATOM 514 CA LEU A 35 0.465 -3.457 5.470 1.00 0.00 C ATOM 515 C LEU A 35 0.513 -2.333 6.500 1.00 0.00 C ATOM 516 O LEU A 35 0.051 -2.493 7.630 1.00 0.00 O ATOM 517 CB LEU A 35 -0.968 -3.642 4.967 1.00 0.00 C ATOM 518 CG LEU A 35 -1.707 -2.367 4.561 1.00 0.00 C ATOM 519 CD1 LEU A 35 -0.938 -1.626 3.478 1.00 0.00 C ATOM 520 CD2 LEU A 35 -3.116 -2.695 4.088 1.00 0.00 C ATOM 0 H LEU A 35 0.303 -5.478 6.006 1.00 0.00 H new ATOM 0 HA LEU A 35 1.106 -3.184 4.632 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.947 -4.314 4.109 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -1.544 -4.139 5.747 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.780 -1.719 5.434 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -1.479 -0.721 3.202 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.050 -1.358 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.833 -2.267 2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.627 -1.776 3.803 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -3.065 -3.363 3.228 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.666 -3.181 4.893 1.00 0.00 H new ATOM 532 N VAL A 36 1.074 -1.196 6.103 1.00 0.00 N ATOM 533 CA VAL A 36 1.180 -0.044 6.990 1.00 0.00 C ATOM 534 C VAL A 36 0.535 1.190 6.368 1.00 0.00 C ATOM 535 O VAL A 36 -0.065 1.116 5.296 1.00 0.00 O ATOM 536 CB VAL A 36 2.649 0.272 7.327 1.00 0.00 C ATOM 537 CG1 VAL A 36 3.253 1.189 6.275 1.00 0.00 C ATOM 538 CG2 VAL A 36 2.756 0.893 8.712 1.00 0.00 C ATOM 0 H VAL A 36 1.463 -1.048 5.172 1.00 0.00 H new ATOM 0 HA VAL A 36 0.652 -0.302 7.908 1.00 0.00 H new ATOM 0 HB VAL A 36 3.212 -0.661 7.327 1.00 0.00 H new ATOM 0 HG11 VAL A 36 4.291 1.401 6.530 1.00 0.00 H new ATOM 0 HG12 VAL A 36 3.211 0.702 5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.690 2.122 6.239 1.00 0.00 H new ATOM 0 HG21 VAL A 36 3.801 1.110 8.934 1.00 0.00 H new ATOM 0 HG22 VAL A 36 2.179 1.817 8.742 1.00 0.00 H new ATOM 0 HG23 VAL A 36 2.365 0.197 9.454 1.00 0.00 H new ATOM 548 N ASP A 37 0.664 2.324 7.049 1.00 0.00 N ATOM 549 CA ASP A 37 0.096 3.576 6.562 1.00 0.00 C ATOM 550 C ASP A 37 0.691 3.953 5.209 1.00 0.00 C ATOM 551 O ASP A 37 1.891 4.202 5.095 1.00 0.00 O ATOM 552 CB ASP A 37 0.341 4.698 7.572 1.00 0.00 C ATOM 553 CG ASP A 37 -0.764 4.800 8.604 1.00 0.00 C ATOM 554 OD1 ASP A 37 -1.239 3.743 9.072 1.00 0.00 O ATOM 555 OD2 ASP A 37 -1.155 5.936 8.945 1.00 0.00 O ATOM 0 H ASP A 37 1.156 2.402 7.939 1.00 0.00 H new ATOM 0 HA ASP A 37 -0.978 3.436 6.439 1.00 0.00 H new ATOM 0 HB2 ASP A 37 1.291 4.527 8.077 1.00 0.00 H new ATOM 0 HB3 ASP A 37 0.428 5.647 7.042 1.00 0.00 H new ATOM 560 N ARG A 38 -0.157 3.993 4.186 1.00 0.00 N ATOM 561 CA ARG A 38 0.285 4.337 2.840 1.00 0.00 C ATOM 562 C ARG A 38 1.620 3.671 2.520 1.00 0.00 C ATOM 563 O ARG A 38 2.493 4.276 1.897 1.00 0.00 O ATOM 564 CB ARG A 38 0.413 5.855 2.695 1.00 0.00 C ATOM 565 CG ARG A 38 -0.925 6.573 2.616 1.00 0.00 C ATOM 566 CD ARG A 38 -0.820 7.857 1.808 1.00 0.00 C ATOM 567 NE ARG A 38 -2.092 8.571 1.747 1.00 0.00 N ATOM 568 CZ ARG A 38 -2.512 9.407 2.690 1.00 0.00 C ATOM 569 NH1 ARG A 38 -1.763 9.632 3.761 1.00 0.00 N ATOM 570 NH2 ARG A 38 -3.682 10.019 2.563 1.00 0.00 N ATOM 0 H ARG A 38 -1.154 3.791 4.264 1.00 0.00 H new ATOM 0 HA ARG A 38 -0.462 3.973 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 38 0.977 6.246 3.542 1.00 0.00 H new ATOM 0 HB3 ARG A 38 0.990 6.079 1.798 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -1.666 5.915 2.162 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -1.276 6.802 3.622 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -0.063 8.503 2.251 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -0.487 7.623 0.797 1.00 0.00 H new ATOM 0 HE ARG A 38 -2.691 8.420 0.936 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -0.863 9.163 3.862 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.087 10.274 4.484 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -4.260 9.848 1.740 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -4.003 10.661 3.288 1.00 0.00 H new ATOM 584 N CYS A 39 1.771 2.423 2.949 1.00 0.00 N ATOM 585 CA CYS A 39 3.000 1.675 2.709 1.00 0.00 C ATOM 586 C CYS A 39 2.809 0.197 3.034 1.00 0.00 C ATOM 587 O CYS A 39 1.852 -0.182 3.710 1.00 0.00 O ATOM 588 CB CYS A 39 4.143 2.250 3.546 1.00 0.00 C ATOM 589 SG CYS A 39 5.088 3.548 2.714 1.00 0.00 S ATOM 0 H CYS A 39 1.058 1.908 3.465 1.00 0.00 H new ATOM 0 HA CYS A 39 3.252 1.766 1.652 1.00 0.00 H new ATOM 0 HB2 CYS A 39 3.734 2.651 4.473 1.00 0.00 H new ATOM 0 HB3 CYS A 39 4.821 1.441 3.820 1.00 0.00 H new ATOM 0 HG CYS A 39 4.276 4.324 2.059 1.00 0.00 H new ATOM 595 N LEU A 40 3.724 -0.633 2.546 1.00 0.00 N ATOM 596 CA LEU A 40 3.657 -2.071 2.783 1.00 0.00 C ATOM 597 C LEU A 40 5.045 -2.646 3.042 1.00 0.00 C ATOM 598 O LEU A 40 5.920 -2.599 2.177 1.00 0.00 O ATOM 599 CB LEU A 40 3.016 -2.775 1.585 1.00 0.00 C ATOM 600 CG LEU A 40 3.170 -4.296 1.540 1.00 0.00 C ATOM 601 CD1 LEU A 40 2.726 -4.917 2.855 1.00 0.00 C ATOM 602 CD2 LEU A 40 2.377 -4.877 0.379 1.00 0.00 C ATOM 0 H LEU A 40 4.521 -0.335 1.984 1.00 0.00 H new ATOM 0 HA LEU A 40 3.044 -2.240 3.668 1.00 0.00 H new ATOM 0 HB2 LEU A 40 1.952 -2.537 1.575 1.00 0.00 H new ATOM 0 HB3 LEU A 40 3.444 -2.359 0.673 1.00 0.00 H new ATOM 0 HG LEU A 40 4.224 -4.531 1.389 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.843 -6.000 2.804 1.00 0.00 H new ATOM 0 HD12 LEU A 40 3.337 -4.524 3.668 1.00 0.00 H new ATOM 0 HD13 LEU A 40 1.679 -4.673 3.037 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.498 -5.960 0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 40 1.322 -4.631 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 40 2.742 -4.456 -0.558 1.00 0.00 H new ATOM 614 N PHE A 41 5.240 -3.191 4.239 1.00 0.00 N ATOM 615 CA PHE A 41 6.522 -3.777 4.612 1.00 0.00 C ATOM 616 C PHE A 41 6.439 -5.300 4.629 1.00 0.00 C ATOM 617 O PHE A 41 5.352 -5.875 4.563 1.00 0.00 O ATOM 618 CB PHE A 41 6.961 -3.263 5.985 1.00 0.00 C ATOM 619 CG PHE A 41 7.351 -1.813 5.986 1.00 0.00 C ATOM 620 CD1 PHE A 41 8.543 -1.403 5.411 1.00 0.00 C ATOM 621 CD2 PHE A 41 6.526 -0.860 6.561 1.00 0.00 C ATOM 622 CE1 PHE A 41 8.905 -0.069 5.411 1.00 0.00 C ATOM 623 CE2 PHE A 41 6.883 0.475 6.564 1.00 0.00 C ATOM 624 CZ PHE A 41 8.073 0.872 5.987 1.00 0.00 C ATOM 0 H PHE A 41 4.527 -3.239 4.967 1.00 0.00 H new ATOM 0 HA PHE A 41 7.260 -3.479 3.867 1.00 0.00 H new ATOM 0 HB2 PHE A 41 6.149 -3.413 6.697 1.00 0.00 H new ATOM 0 HB3 PHE A 41 7.805 -3.858 6.334 1.00 0.00 H new ATOM 0 HD1 PHE A 41 9.196 -2.134 4.958 1.00 0.00 H new ATOM 0 HD2 PHE A 41 5.593 -1.164 7.012 1.00 0.00 H new ATOM 0 HE1 PHE A 41 9.838 0.238 4.961 1.00 0.00 H new ATOM 0 HE2 PHE A 41 6.232 1.207 7.017 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.353 1.915 5.986 1.00 0.00 H new ATOM 634 N TYR A 42 7.595 -5.949 4.718 1.00 0.00 N ATOM 635 CA TYR A 42 7.655 -7.405 4.740 1.00 0.00 C ATOM 636 C TYR A 42 8.930 -7.888 5.425 1.00 0.00 C ATOM 637 O TYR A 42 9.963 -7.218 5.383 1.00 0.00 O ATOM 638 CB TYR A 42 7.586 -7.961 3.317 1.00 0.00 C ATOM 639 CG TYR A 42 8.885 -7.836 2.554 1.00 0.00 C ATOM 640 CD1 TYR A 42 9.907 -8.761 2.726 1.00 0.00 C ATOM 641 CD2 TYR A 42 9.091 -6.792 1.660 1.00 0.00 C ATOM 642 CE1 TYR A 42 11.096 -8.650 2.032 1.00 0.00 C ATOM 643 CE2 TYR A 42 10.276 -6.674 0.960 1.00 0.00 C ATOM 644 CZ TYR A 42 11.276 -7.605 1.150 1.00 0.00 C ATOM 645 OH TYR A 42 12.458 -7.491 0.455 1.00 0.00 O ATOM 0 H TYR A 42 8.503 -5.489 4.776 1.00 0.00 H new ATOM 0 HA TYR A 42 6.799 -7.769 5.308 1.00 0.00 H new ATOM 0 HB2 TYR A 42 7.299 -9.012 3.360 1.00 0.00 H new ATOM 0 HB3 TYR A 42 6.801 -7.439 2.770 1.00 0.00 H new ATOM 0 HD1 TYR A 42 9.769 -9.582 3.415 1.00 0.00 H new ATOM 0 HD2 TYR A 42 8.311 -6.060 1.510 1.00 0.00 H new ATOM 0 HE1 TYR A 42 11.881 -9.378 2.179 1.00 0.00 H new ATOM 0 HE2 TYR A 42 10.419 -5.857 0.268 1.00 0.00 H new ATOM 0 HH TYR A 42 12.289 -7.061 -0.409 1.00 0.00 H new ATOM 655 N TYR A 43 8.850 -9.054 6.056 1.00 0.00 N ATOM 656 CA TYR A 43 9.995 -9.627 6.752 1.00 0.00 C ATOM 657 C TYR A 43 10.169 -11.100 6.395 1.00 0.00 C ATOM 658 O TYR A 43 9.278 -11.720 5.815 1.00 0.00 O ATOM 659 CB TYR A 43 9.828 -9.473 8.265 1.00 0.00 C ATOM 660 CG TYR A 43 9.267 -8.132 8.680 1.00 0.00 C ATOM 661 CD1 TYR A 43 7.993 -7.739 8.289 1.00 0.00 C ATOM 662 CD2 TYR A 43 10.011 -7.258 9.462 1.00 0.00 C ATOM 663 CE1 TYR A 43 7.477 -6.514 8.665 1.00 0.00 C ATOM 664 CE2 TYR A 43 9.503 -6.031 9.844 1.00 0.00 C ATOM 665 CZ TYR A 43 8.236 -5.664 9.442 1.00 0.00 C ATOM 666 OH TYR A 43 7.725 -4.443 9.820 1.00 0.00 O ATOM 0 H TYR A 43 8.003 -9.621 6.100 1.00 0.00 H new ATOM 0 HA TYR A 43 10.888 -9.088 6.435 1.00 0.00 H new ATOM 0 HB2 TYR A 43 9.170 -10.261 8.631 1.00 0.00 H new ATOM 0 HB3 TYR A 43 10.796 -9.617 8.745 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.396 -8.402 7.681 1.00 0.00 H new ATOM 0 HD2 TYR A 43 11.004 -7.542 9.777 1.00 0.00 H new ATOM 0 HE1 TYR A 43 6.485 -6.224 8.352 1.00 0.00 H new ATOM 0 HE2 TYR A 43 10.094 -5.364 10.453 1.00 0.00 H new ATOM 0 HH TYR A 43 8.385 -3.967 10.365 1.00 0.00 H new ATOM 676 N LYS A 44 11.324 -11.655 6.748 1.00 0.00 N ATOM 677 CA LYS A 44 11.617 -13.055 6.468 1.00 0.00 C ATOM 678 C LYS A 44 10.527 -13.962 7.030 1.00 0.00 C ATOM 679 O LYS A 44 10.142 -14.949 6.402 1.00 0.00 O ATOM 680 CB LYS A 44 12.974 -13.442 7.061 1.00 0.00 C ATOM 681 CG LYS A 44 13.580 -14.686 6.433 1.00 0.00 C ATOM 682 CD LYS A 44 14.118 -14.402 5.041 1.00 0.00 C ATOM 683 CE LYS A 44 15.296 -15.303 4.705 1.00 0.00 C ATOM 684 NZ LYS A 44 15.674 -15.208 3.267 1.00 0.00 N ATOM 0 H LYS A 44 12.072 -11.156 7.229 1.00 0.00 H new ATOM 0 HA LYS A 44 11.650 -13.184 5.386 1.00 0.00 H new ATOM 0 HB2 LYS A 44 13.666 -12.609 6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.860 -13.605 8.133 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.385 -15.059 7.066 1.00 0.00 H new ATOM 0 HG3 LYS A 44 12.826 -15.472 6.380 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.326 -14.548 4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 44 14.426 -13.359 4.975 1.00 0.00 H new ATOM 0 HE2 LYS A 44 16.151 -15.030 5.324 1.00 0.00 H new ATOM 0 HE3 LYS A 44 15.044 -16.336 4.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 16.481 -15.837 3.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 14.867 -15.493 2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 15.939 -14.228 3.042 1.00 0.00 H new ATOM 698 N ASP A 45 10.033 -13.622 8.215 1.00 0.00 N ATOM 699 CA ASP A 45 8.986 -14.404 8.860 1.00 0.00 C ATOM 700 C ASP A 45 8.088 -13.512 9.713 1.00 0.00 C ATOM 701 O ASP A 45 8.293 -12.301 9.787 1.00 0.00 O ATOM 702 CB ASP A 45 9.601 -15.505 9.725 1.00 0.00 C ATOM 703 CG ASP A 45 10.699 -14.984 10.632 1.00 0.00 C ATOM 704 OD1 ASP A 45 11.177 -13.855 10.396 1.00 0.00 O ATOM 705 OD2 ASP A 45 11.078 -15.704 11.578 1.00 0.00 O ATOM 0 H ASP A 45 10.341 -12.809 8.749 1.00 0.00 H new ATOM 0 HA ASP A 45 8.378 -14.862 8.080 1.00 0.00 H new ATOM 0 HB2 ASP A 45 8.821 -15.965 10.331 1.00 0.00 H new ATOM 0 HB3 ASP A 45 10.006 -16.286 9.081 1.00 0.00 H new ATOM 710 N GLU A 46 7.095 -14.120 10.353 1.00 0.00 N ATOM 711 CA GLU A 46 6.166 -13.380 11.199 1.00 0.00 C ATOM 712 C GLU A 46 6.869 -12.849 12.445 1.00 0.00 C ATOM 713 O GLU A 46 6.338 -11.995 13.155 1.00 0.00 O ATOM 714 CB GLU A 46 4.989 -14.270 11.604 1.00 0.00 C ATOM 715 CG GLU A 46 5.387 -15.438 12.491 1.00 0.00 C ATOM 716 CD GLU A 46 5.331 -15.095 13.967 1.00 0.00 C ATOM 717 OE1 GLU A 46 4.691 -14.082 14.317 1.00 0.00 O ATOM 718 OE2 GLU A 46 5.927 -15.841 14.772 1.00 0.00 O ATOM 0 H GLU A 46 6.913 -15.122 10.302 1.00 0.00 H new ATOM 0 HA GLU A 46 5.790 -12.532 10.626 1.00 0.00 H new ATOM 0 HB2 GLU A 46 4.249 -13.664 12.126 1.00 0.00 H new ATOM 0 HB3 GLU A 46 4.509 -14.655 10.704 1.00 0.00 H new ATOM 0 HG2 GLU A 46 4.726 -16.282 12.293 1.00 0.00 H new ATOM 0 HG3 GLU A 46 6.397 -15.757 12.234 1.00 0.00 H new ATOM 725 N LYS A 47 8.066 -13.363 12.705 1.00 0.00 N ATOM 726 CA LYS A 47 8.844 -12.942 13.865 1.00 0.00 C ATOM 727 C LYS A 47 9.060 -11.432 13.856 1.00 0.00 C ATOM 728 O LYS A 47 9.234 -10.816 14.907 1.00 0.00 O ATOM 729 CB LYS A 47 10.195 -13.661 13.886 1.00 0.00 C ATOM 730 CG LYS A 47 10.114 -15.094 14.383 1.00 0.00 C ATOM 731 CD LYS A 47 10.303 -15.174 15.889 1.00 0.00 C ATOM 732 CE LYS A 47 9.053 -14.730 16.632 1.00 0.00 C ATOM 733 NZ LYS A 47 9.084 -15.139 18.064 1.00 0.00 N ATOM 0 H LYS A 47 8.519 -14.072 12.128 1.00 0.00 H new ATOM 0 HA LYS A 47 8.284 -13.206 14.762 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.615 -13.657 12.880 1.00 0.00 H new ATOM 0 HB3 LYS A 47 10.884 -13.104 14.521 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.147 -15.519 14.114 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.876 -15.696 13.887 1.00 0.00 H new ATOM 0 HD2 LYS A 47 10.551 -16.197 16.172 1.00 0.00 H new ATOM 0 HD3 LYS A 47 11.145 -14.548 16.185 1.00 0.00 H new ATOM 0 HE2 LYS A 47 8.957 -13.646 16.566 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.173 -15.158 16.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.215 -14.818 18.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 9.150 -16.175 18.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 9.909 -14.710 18.530 1.00 0.00 H new ATOM 747 N GLU A 48 9.046 -10.843 12.664 1.00 0.00 N ATOM 748 CA GLU A 48 9.239 -9.405 12.521 1.00 0.00 C ATOM 749 C GLU A 48 10.586 -8.978 13.097 1.00 0.00 C ATOM 750 O GLU A 48 10.680 -7.975 13.804 1.00 0.00 O ATOM 751 CB GLU A 48 8.110 -8.644 13.219 1.00 0.00 C ATOM 752 CG GLU A 48 6.833 -8.565 12.399 1.00 0.00 C ATOM 753 CD GLU A 48 5.879 -7.501 12.907 1.00 0.00 C ATOM 754 OE1 GLU A 48 5.606 -7.482 14.125 1.00 0.00 O ATOM 755 OE2 GLU A 48 5.406 -6.688 12.086 1.00 0.00 O ATOM 0 H GLU A 48 8.903 -11.339 11.784 1.00 0.00 H new ATOM 0 HA GLU A 48 9.225 -9.166 11.458 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.891 -9.128 14.171 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.450 -7.633 13.445 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.085 -8.355 11.360 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.334 -9.534 12.417 1.00 0.00 H new ATOM 762 N GLU A 49 11.626 -9.747 12.788 1.00 0.00 N ATOM 763 CA GLU A 49 12.967 -9.448 13.276 1.00 0.00 C ATOM 764 C GLU A 49 13.469 -8.122 12.711 1.00 0.00 C ATOM 765 O GLU A 49 13.612 -7.140 13.439 1.00 0.00 O ATOM 766 CB GLU A 49 13.933 -10.574 12.899 1.00 0.00 C ATOM 767 CG GLU A 49 13.501 -11.941 13.403 1.00 0.00 C ATOM 768 CD GLU A 49 13.651 -12.083 14.905 1.00 0.00 C ATOM 769 OE1 GLU A 49 13.713 -11.046 15.597 1.00 0.00 O ATOM 770 OE2 GLU A 49 13.706 -13.234 15.388 1.00 0.00 O ATOM 0 H GLU A 49 11.565 -10.580 12.203 1.00 0.00 H new ATOM 0 HA GLU A 49 12.921 -9.366 14.362 1.00 0.00 H new ATOM 0 HB2 GLU A 49 14.030 -10.610 11.814 1.00 0.00 H new ATOM 0 HB3 GLU A 49 14.920 -10.344 13.300 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.461 -12.113 13.128 1.00 0.00 H new ATOM 0 HG3 GLU A 49 14.093 -12.710 12.908 1.00 0.00 H new ATOM 777 N SER A 50 13.735 -8.103 11.409 1.00 0.00 N ATOM 778 CA SER A 50 14.225 -6.900 10.747 1.00 0.00 C ATOM 779 C SER A 50 13.621 -6.763 9.353 1.00 0.00 C ATOM 780 O SER A 50 13.541 -7.735 8.601 1.00 0.00 O ATOM 781 CB SER A 50 15.752 -6.930 10.652 1.00 0.00 C ATOM 782 OG SER A 50 16.347 -6.595 11.894 1.00 0.00 O ATOM 0 H SER A 50 13.619 -8.907 10.792 1.00 0.00 H new ATOM 0 HA SER A 50 13.922 -6.039 11.342 1.00 0.00 H new ATOM 0 HB2 SER A 50 16.081 -7.922 10.344 1.00 0.00 H new ATOM 0 HB3 SER A 50 16.086 -6.231 9.885 1.00 0.00 H new ATOM 0 HG SER A 50 15.656 -6.555 12.588 1.00 0.00 H new ATOM 788 N ILE A 51 13.196 -5.550 9.016 1.00 0.00 N ATOM 789 CA ILE A 51 12.600 -5.285 7.712 1.00 0.00 C ATOM 790 C ILE A 51 13.595 -5.550 6.588 1.00 0.00 C ATOM 791 O ILE A 51 14.666 -4.944 6.536 1.00 0.00 O ATOM 792 CB ILE A 51 12.099 -3.832 7.607 1.00 0.00 C ATOM 793 CG1 ILE A 51 11.003 -3.571 8.643 1.00 0.00 C ATOM 794 CG2 ILE A 51 11.588 -3.548 6.203 1.00 0.00 C ATOM 795 CD1 ILE A 51 10.640 -2.109 8.783 1.00 0.00 C ATOM 0 H ILE A 51 13.253 -4.736 9.627 1.00 0.00 H new ATOM 0 HA ILE A 51 11.752 -5.962 7.610 1.00 0.00 H new ATOM 0 HB ILE A 51 12.933 -3.160 7.811 1.00 0.00 H new ATOM 0 HG12 ILE A 51 10.111 -4.134 8.366 1.00 0.00 H new ATOM 0 HG13 ILE A 51 11.331 -3.950 9.611 1.00 0.00 H new ATOM 0 HG21 ILE A 51 11.238 -2.518 6.145 1.00 0.00 H new ATOM 0 HG22 ILE A 51 12.394 -3.698 5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 51 10.765 -4.225 5.971 1.00 0.00 H new ATOM 0 HD11 ILE A 51 9.858 -1.999 9.534 1.00 0.00 H new ATOM 0 HD12 ILE A 51 11.520 -1.543 9.090 1.00 0.00 H new ATOM 0 HD13 ILE A 51 10.281 -1.730 7.826 1.00 0.00 H new ATOM 807 N LEU A 52 13.234 -6.458 5.688 1.00 0.00 N ATOM 808 CA LEU A 52 14.095 -6.803 4.562 1.00 0.00 C ATOM 809 C LEU A 52 13.899 -5.826 3.407 1.00 0.00 C ATOM 810 O LEU A 52 14.861 -5.270 2.880 1.00 0.00 O ATOM 811 CB LEU A 52 13.806 -8.230 4.092 1.00 0.00 C ATOM 812 CG LEU A 52 13.888 -9.319 5.162 1.00 0.00 C ATOM 813 CD1 LEU A 52 12.931 -10.456 4.841 1.00 0.00 C ATOM 814 CD2 LEU A 52 15.314 -9.837 5.287 1.00 0.00 C ATOM 0 H LEU A 52 12.351 -6.968 5.716 1.00 0.00 H new ATOM 0 HA LEU A 52 15.131 -6.739 4.896 1.00 0.00 H new ATOM 0 HB2 LEU A 52 12.807 -8.252 3.656 1.00 0.00 H new ATOM 0 HB3 LEU A 52 14.508 -8.478 3.295 1.00 0.00 H new ATOM 0 HG LEU A 52 13.595 -8.885 6.118 1.00 0.00 H new ATOM 0 HD11 LEU A 52 13.003 -11.222 5.614 1.00 0.00 H new ATOM 0 HD12 LEU A 52 11.911 -10.073 4.804 1.00 0.00 H new ATOM 0 HD13 LEU A 52 13.192 -10.889 3.875 1.00 0.00 H new ATOM 0 HD21 LEU A 52 15.354 -10.611 6.053 1.00 0.00 H new ATOM 0 HD22 LEU A 52 15.635 -10.254 4.332 1.00 0.00 H new ATOM 0 HD23 LEU A 52 15.976 -9.017 5.565 1.00 0.00 H new ATOM 826 N GLY A 53 12.643 -5.620 3.019 1.00 0.00 N ATOM 827 CA GLY A 53 12.343 -4.707 1.931 1.00 0.00 C ATOM 828 C GLY A 53 11.014 -4.003 2.115 1.00 0.00 C ATOM 829 O GLY A 53 10.126 -4.508 2.802 1.00 0.00 O ATOM 0 H GLY A 53 11.829 -6.069 3.439 1.00 0.00 H new ATOM 0 HA2 GLY A 53 13.137 -3.964 1.855 1.00 0.00 H new ATOM 0 HA3 GLY A 53 12.331 -5.258 0.991 1.00 0.00 H new ATOM 833 N SER A 54 10.877 -2.832 1.502 1.00 0.00 N ATOM 834 CA SER A 54 9.648 -2.054 1.605 1.00 0.00 C ATOM 835 C SER A 54 9.042 -1.808 0.227 1.00 0.00 C ATOM 836 O SER A 54 9.747 -1.816 -0.783 1.00 0.00 O ATOM 837 CB SER A 54 9.921 -0.718 2.300 1.00 0.00 C ATOM 838 OG SER A 54 8.800 0.143 2.210 1.00 0.00 O ATOM 0 H SER A 54 11.602 -2.401 0.929 1.00 0.00 H new ATOM 0 HA SER A 54 8.935 -2.626 2.199 1.00 0.00 H new ATOM 0 HB2 SER A 54 10.166 -0.893 3.348 1.00 0.00 H new ATOM 0 HB3 SER A 54 10.788 -0.239 1.846 1.00 0.00 H new ATOM 0 HG SER A 54 8.475 0.352 3.111 1.00 0.00 H new ATOM 844 N ILE A 55 7.732 -1.591 0.194 1.00 0.00 N ATOM 845 CA ILE A 55 7.031 -1.342 -1.060 1.00 0.00 C ATOM 846 C ILE A 55 6.104 -0.137 -0.942 1.00 0.00 C ATOM 847 O ILE A 55 5.157 -0.126 -0.154 1.00 0.00 O ATOM 848 CB ILE A 55 6.207 -2.568 -1.498 1.00 0.00 C ATOM 849 CG1 ILE A 55 7.067 -3.833 -1.442 1.00 0.00 C ATOM 850 CG2 ILE A 55 5.651 -2.360 -2.898 1.00 0.00 C ATOM 851 CD1 ILE A 55 6.265 -5.099 -1.238 1.00 0.00 C ATOM 0 H ILE A 55 7.134 -1.582 1.021 1.00 0.00 H new ATOM 0 HA ILE A 55 7.793 -1.139 -1.812 1.00 0.00 H new ATOM 0 HB ILE A 55 5.370 -2.690 -0.811 1.00 0.00 H new ATOM 0 HG12 ILE A 55 7.635 -3.918 -2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 55 7.790 -3.736 -0.632 1.00 0.00 H new ATOM 0 HG21 ILE A 55 5.071 -3.235 -3.193 1.00 0.00 H new ATOM 0 HG22 ILE A 55 5.009 -1.479 -2.907 1.00 0.00 H new ATOM 0 HG23 ILE A 55 6.474 -2.217 -3.599 1.00 0.00 H new ATOM 0 HD11 ILE A 55 6.938 -5.956 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 55 5.717 -5.035 -0.298 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.560 -5.220 -2.061 1.00 0.00 H new ATOM 863 N PRO A 56 6.379 0.902 -1.743 1.00 0.00 N ATOM 864 CA PRO A 56 5.580 2.131 -1.749 1.00 0.00 C ATOM 865 C PRO A 56 4.191 1.917 -2.341 1.00 0.00 C ATOM 866 O PRO A 56 4.045 1.323 -3.410 1.00 0.00 O ATOM 867 CB PRO A 56 6.395 3.081 -2.630 1.00 0.00 C ATOM 868 CG PRO A 56 7.187 2.186 -3.519 1.00 0.00 C ATOM 869 CD PRO A 56 7.491 0.958 -2.707 1.00 0.00 C ATOM 0 HA PRO A 56 5.405 2.507 -0.741 1.00 0.00 H new ATOM 0 HB2 PRO A 56 5.747 3.740 -3.207 1.00 0.00 H new ATOM 0 HB3 PRO A 56 7.044 3.719 -2.030 1.00 0.00 H new ATOM 0 HG2 PRO A 56 6.624 1.931 -4.417 1.00 0.00 H new ATOM 0 HG3 PRO A 56 8.105 2.674 -3.846 1.00 0.00 H new ATOM 0 HD2 PRO A 56 7.529 0.064 -3.329 1.00 0.00 H new ATOM 0 HD3 PRO A 56 8.455 1.037 -2.204 1.00 0.00 H new ATOM 877 N LEU A 57 3.173 2.403 -1.639 1.00 0.00 N ATOM 878 CA LEU A 57 1.794 2.264 -2.096 1.00 0.00 C ATOM 879 C LEU A 57 1.168 3.630 -2.358 1.00 0.00 C ATOM 880 O LEU A 57 0.104 3.950 -1.826 1.00 0.00 O ATOM 881 CB LEU A 57 0.967 1.502 -1.060 1.00 0.00 C ATOM 882 CG LEU A 57 1.211 -0.005 -0.983 1.00 0.00 C ATOM 883 CD1 LEU A 57 0.543 -0.592 0.251 1.00 0.00 C ATOM 884 CD2 LEU A 57 0.706 -0.692 -2.243 1.00 0.00 C ATOM 0 H LEU A 57 3.276 2.896 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 57 1.801 1.702 -3.030 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.165 1.932 -0.078 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.089 1.668 -1.274 1.00 0.00 H new ATOM 0 HG LEU A 57 2.285 -0.176 -0.905 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.728 -1.666 0.289 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.953 -0.122 1.145 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.531 -0.410 0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.888 -1.764 -2.171 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.364 -0.512 -2.352 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.231 -0.293 -3.111 1.00 0.00 H new ATOM 896 N LEU A 58 1.833 4.431 -3.184 1.00 0.00 N ATOM 897 CA LEU A 58 1.340 5.763 -3.520 1.00 0.00 C ATOM 898 C LEU A 58 0.864 5.818 -4.968 1.00 0.00 C ATOM 899 O LEU A 58 1.653 5.654 -5.898 1.00 0.00 O ATOM 900 CB LEU A 58 2.436 6.806 -3.291 1.00 0.00 C ATOM 901 CG LEU A 58 2.043 8.260 -3.554 1.00 0.00 C ATOM 902 CD1 LEU A 58 0.993 8.719 -2.554 1.00 0.00 C ATOM 903 CD2 LEU A 58 3.268 9.162 -3.495 1.00 0.00 C ATOM 0 H LEU A 58 2.714 4.182 -3.633 1.00 0.00 H new ATOM 0 HA LEU A 58 0.494 5.985 -2.870 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.778 6.724 -2.259 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.284 6.559 -3.929 1.00 0.00 H new ATOM 0 HG LEU A 58 1.615 8.325 -4.554 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.726 9.756 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.106 8.092 -2.644 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.393 8.639 -1.543 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.970 10.193 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.724 9.092 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 58 3.988 8.848 -4.251 1.00 0.00 H new ATOM 915 N SER A 59 -0.431 6.053 -5.151 1.00 0.00 N ATOM 916 CA SER A 59 -1.013 6.129 -6.485 1.00 0.00 C ATOM 917 C SER A 59 -0.834 4.811 -7.232 1.00 0.00 C ATOM 918 O SER A 59 -0.816 4.778 -8.462 1.00 0.00 O ATOM 919 CB SER A 59 -0.373 7.269 -7.280 1.00 0.00 C ATOM 920 OG SER A 59 -1.074 8.485 -7.082 1.00 0.00 O ATOM 0 H SER A 59 -1.097 6.194 -4.392 1.00 0.00 H new ATOM 0 HA SER A 59 -2.080 6.324 -6.378 1.00 0.00 H new ATOM 0 HB2 SER A 59 0.666 7.391 -6.975 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.366 7.018 -8.341 1.00 0.00 H new ATOM 0 HG SER A 59 -0.645 9.198 -7.599 1.00 0.00 H new ATOM 926 N PHE A 60 -0.703 3.724 -6.478 1.00 0.00 N ATOM 927 CA PHE A 60 -0.524 2.402 -7.066 1.00 0.00 C ATOM 928 C PHE A 60 -1.860 1.828 -7.530 1.00 0.00 C ATOM 929 O PHE A 60 -2.923 2.311 -7.142 1.00 0.00 O ATOM 930 CB PHE A 60 0.128 1.455 -6.057 1.00 0.00 C ATOM 931 CG PHE A 60 1.629 1.455 -6.119 1.00 0.00 C ATOM 932 CD1 PHE A 60 2.349 2.597 -5.808 1.00 0.00 C ATOM 933 CD2 PHE A 60 2.320 0.312 -6.488 1.00 0.00 C ATOM 934 CE1 PHE A 60 3.730 2.599 -5.864 1.00 0.00 C ATOM 935 CE2 PHE A 60 3.701 0.308 -6.546 1.00 0.00 C ATOM 936 CZ PHE A 60 4.407 1.453 -6.233 1.00 0.00 C ATOM 0 H PHE A 60 -0.718 3.733 -5.458 1.00 0.00 H new ATOM 0 HA PHE A 60 0.129 2.503 -7.933 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -0.186 1.736 -5.052 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.235 0.443 -6.234 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.825 3.496 -5.518 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.773 -0.586 -6.733 1.00 0.00 H new ATOM 0 HE1 PHE A 60 4.279 3.496 -5.619 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.227 -0.589 -6.836 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.486 1.452 -6.277 1.00 0.00 H new ATOM 946 N ARG A 61 -1.796 0.794 -8.363 1.00 0.00 N ATOM 947 CA ARG A 61 -2.999 0.155 -8.881 1.00 0.00 C ATOM 948 C ARG A 61 -3.073 -1.303 -8.438 1.00 0.00 C ATOM 949 O ARG A 61 -2.524 -2.190 -9.092 1.00 0.00 O ATOM 950 CB ARG A 61 -3.029 0.238 -10.408 1.00 0.00 C ATOM 951 CG ARG A 61 -4.375 -0.129 -11.012 1.00 0.00 C ATOM 952 CD ARG A 61 -4.395 0.109 -12.514 1.00 0.00 C ATOM 953 NE ARG A 61 -4.360 1.532 -12.843 1.00 0.00 N ATOM 954 CZ ARG A 61 -5.428 2.320 -12.809 1.00 0.00 C ATOM 955 NH1 ARG A 61 -6.610 1.827 -12.463 1.00 0.00 N ATOM 956 NH2 ARG A 61 -5.317 3.605 -13.122 1.00 0.00 N ATOM 0 H ARG A 61 -0.924 0.381 -8.693 1.00 0.00 H new ATOM 0 HA ARG A 61 -3.863 0.683 -8.479 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -2.767 1.251 -10.713 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -2.265 -0.425 -10.814 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -4.594 -1.177 -10.806 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -5.160 0.460 -10.539 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -3.541 -0.390 -12.972 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -5.292 -0.340 -12.940 1.00 0.00 H new ATOM 0 HE ARG A 61 -3.466 1.943 -13.114 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.700 0.840 -12.222 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.429 2.435 -12.438 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -4.410 3.988 -13.389 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -6.138 4.209 -13.095 1.00 0.00 H new ATOM 970 N VAL A 62 -3.756 -1.544 -7.323 1.00 0.00 N ATOM 971 CA VAL A 62 -3.903 -2.894 -6.793 1.00 0.00 C ATOM 972 C VAL A 62 -5.244 -3.499 -7.193 1.00 0.00 C ATOM 973 O VAL A 62 -6.295 -2.894 -6.986 1.00 0.00 O ATOM 974 CB VAL A 62 -3.782 -2.911 -5.258 1.00 0.00 C ATOM 975 CG1 VAL A 62 -3.753 -4.341 -4.740 1.00 0.00 C ATOM 976 CG2 VAL A 62 -2.544 -2.148 -4.813 1.00 0.00 C ATOM 0 H VAL A 62 -4.216 -0.821 -6.769 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.097 -3.491 -7.220 1.00 0.00 H new ATOM 0 HB VAL A 62 -4.657 -2.416 -4.836 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.667 -4.333 -3.653 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -4.673 -4.851 -5.027 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.898 -4.866 -5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.474 -2.170 -3.725 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.656 -2.612 -5.243 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.613 -1.114 -5.151 1.00 0.00 H new ATOM 986 N ALA A 63 -5.199 -4.696 -7.768 1.00 0.00 N ATOM 987 CA ALA A 63 -6.411 -5.385 -8.195 1.00 0.00 C ATOM 988 C ALA A 63 -6.099 -6.796 -8.680 1.00 0.00 C ATOM 989 O ALA A 63 -4.945 -7.131 -8.946 1.00 0.00 O ATOM 990 CB ALA A 63 -7.110 -4.592 -9.290 1.00 0.00 C ATOM 0 H ALA A 63 -4.336 -5.209 -7.949 1.00 0.00 H new ATOM 0 HA ALA A 63 -7.077 -5.463 -7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.013 -5.118 -9.600 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -7.376 -3.605 -8.911 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -6.442 -4.485 -10.144 1.00 0.00 H new ATOM 996 N ALA A 64 -7.135 -7.621 -8.792 1.00 0.00 N ATOM 997 CA ALA A 64 -6.970 -8.997 -9.245 1.00 0.00 C ATOM 998 C ALA A 64 -6.105 -9.062 -10.499 1.00 0.00 C ATOM 999 O ALA A 64 -6.246 -8.242 -11.406 1.00 0.00 O ATOM 1000 CB ALA A 64 -8.328 -9.632 -9.505 1.00 0.00 C ATOM 0 H ALA A 64 -8.097 -7.361 -8.575 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.464 -9.555 -8.457 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -8.191 -10.659 -9.843 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -8.914 -9.627 -8.586 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -8.854 -9.065 -10.273 1.00 0.00 H new ATOM 1006 N VAL A 65 -5.207 -10.041 -10.543 1.00 0.00 N ATOM 1007 CA VAL A 65 -4.319 -10.213 -11.686 1.00 0.00 C ATOM 1008 C VAL A 65 -5.111 -10.412 -12.973 1.00 0.00 C ATOM 1009 O VAL A 65 -6.334 -10.550 -12.945 1.00 0.00 O ATOM 1010 CB VAL A 65 -3.375 -11.414 -11.487 1.00 0.00 C ATOM 1011 CG1 VAL A 65 -2.276 -11.071 -10.493 1.00 0.00 C ATOM 1012 CG2 VAL A 65 -4.157 -12.636 -11.029 1.00 0.00 C ATOM 0 H VAL A 65 -5.075 -10.727 -9.800 1.00 0.00 H new ATOM 0 HA VAL A 65 -3.726 -9.302 -11.765 1.00 0.00 H new ATOM 0 HB VAL A 65 -2.907 -11.648 -12.443 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -1.619 -11.932 -10.365 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -1.698 -10.226 -10.867 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.722 -10.810 -9.533 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -3.474 -13.475 -10.893 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -4.654 -12.417 -10.084 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -4.903 -12.893 -11.781 1.00 0.00 H new ATOM 1022 N GLN A 66 -4.406 -10.425 -14.100 1.00 0.00 N ATOM 1023 CA GLN A 66 -5.045 -10.606 -15.398 1.00 0.00 C ATOM 1024 C GLN A 66 -4.583 -11.902 -16.055 1.00 0.00 C ATOM 1025 O GLN A 66 -3.533 -12.455 -15.725 1.00 0.00 O ATOM 1026 CB GLN A 66 -4.736 -9.419 -16.312 1.00 0.00 C ATOM 1027 CG GLN A 66 -5.712 -8.264 -16.160 1.00 0.00 C ATOM 1028 CD GLN A 66 -5.850 -7.444 -17.428 1.00 0.00 C ATOM 1029 OE1 GLN A 66 -5.648 -7.950 -18.532 1.00 0.00 O ATOM 1030 NE2 GLN A 66 -6.195 -6.171 -17.276 1.00 0.00 N ATOM 0 H GLN A 66 -3.393 -10.312 -14.140 1.00 0.00 H new ATOM 0 HA GLN A 66 -6.122 -10.663 -15.240 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.728 -9.062 -16.102 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -4.745 -9.757 -17.348 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -6.689 -8.654 -15.877 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -5.379 -7.617 -15.348 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -6.353 -5.793 -16.342 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.302 -5.571 -18.094 1.00 0.00 H new ATOM 1039 N PRO A 67 -5.384 -12.401 -17.008 1.00 0.00 N ATOM 1040 CA PRO A 67 -5.078 -13.639 -17.732 1.00 0.00 C ATOM 1041 C PRO A 67 -3.891 -13.480 -18.676 1.00 0.00 C ATOM 1042 O PRO A 67 -3.375 -14.461 -19.210 1.00 0.00 O ATOM 1043 CB PRO A 67 -6.359 -13.912 -18.525 1.00 0.00 C ATOM 1044 CG PRO A 67 -6.993 -12.575 -18.693 1.00 0.00 C ATOM 1045 CD PRO A 67 -6.651 -11.795 -17.453 1.00 0.00 C ATOM 0 HA PRO A 67 -4.798 -14.447 -17.057 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -6.138 -14.369 -19.489 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -7.017 -14.598 -17.991 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -6.617 -12.074 -19.585 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -8.073 -12.667 -18.811 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -6.535 -10.732 -17.666 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.428 -11.885 -16.694 1.00 0.00 H new ATOM 1053 N SER A 68 -3.463 -12.238 -18.876 1.00 0.00 N ATOM 1054 CA SER A 68 -2.338 -11.950 -19.759 1.00 0.00 C ATOM 1055 C SER A 68 -1.051 -11.775 -18.959 1.00 0.00 C ATOM 1056 O SER A 68 0.000 -11.455 -19.515 1.00 0.00 O ATOM 1057 CB SER A 68 -2.616 -10.690 -20.581 1.00 0.00 C ATOM 1058 OG SER A 68 -3.432 -10.982 -21.702 1.00 0.00 O ATOM 0 H SER A 68 -3.878 -11.415 -18.439 1.00 0.00 H new ATOM 0 HA SER A 68 -2.213 -12.796 -20.435 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.106 -9.944 -19.955 1.00 0.00 H new ATOM 0 HB3 SER A 68 -1.674 -10.256 -20.916 1.00 0.00 H new ATOM 0 HG SER A 68 -3.596 -10.160 -22.210 1.00 0.00 H new ATOM 1144 N LYS A 74 -4.870 -19.188 -8.150 1.00 0.00 N ATOM 1145 CA LYS A 74 -6.149 -18.650 -7.700 1.00 0.00 C ATOM 1146 C LYS A 74 -5.952 -17.676 -6.543 1.00 0.00 C ATOM 1147 O LYS A 74 -5.033 -17.830 -5.738 1.00 0.00 O ATOM 1148 CB LYS A 74 -7.081 -19.785 -7.273 1.00 0.00 C ATOM 1149 CG LYS A 74 -7.945 -20.321 -8.401 1.00 0.00 C ATOM 1150 CD LYS A 74 -9.261 -19.569 -8.502 1.00 0.00 C ATOM 1151 CE LYS A 74 -9.060 -18.162 -9.043 1.00 0.00 C ATOM 1152 NZ LYS A 74 -10.261 -17.671 -9.773 1.00 0.00 N ATOM 0 HA LYS A 74 -6.602 -18.111 -8.532 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -6.483 -20.601 -6.866 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.727 -19.431 -6.469 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -7.405 -20.239 -9.344 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -8.142 -21.380 -8.237 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -9.944 -20.115 -9.152 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -9.728 -19.518 -7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -8.834 -17.485 -8.219 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -8.199 -18.150 -9.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.084 -16.709 -10.126 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.462 -18.302 -10.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -11.078 -17.658 -9.129 1.00 0.00 H new ATOM 1166 N HIS A 75 -6.821 -16.673 -6.465 1.00 0.00 N ATOM 1167 CA HIS A 75 -6.744 -15.675 -5.404 1.00 0.00 C ATOM 1168 C HIS A 75 -5.424 -14.913 -5.471 1.00 0.00 C ATOM 1169 O HIS A 75 -4.684 -14.845 -4.489 1.00 0.00 O ATOM 1170 CB HIS A 75 -6.893 -16.341 -4.036 1.00 0.00 C ATOM 1171 CG HIS A 75 -7.751 -17.569 -4.059 1.00 0.00 C ATOM 1172 ND1 HIS A 75 -9.009 -17.599 -4.622 1.00 0.00 N ATOM 1173 CD2 HIS A 75 -7.523 -18.817 -3.584 1.00 0.00 C ATOM 1174 CE1 HIS A 75 -9.519 -18.810 -4.491 1.00 0.00 C ATOM 1175 NE2 HIS A 75 -8.637 -19.569 -3.866 1.00 0.00 N ATOM 0 H HIS A 75 -7.586 -16.530 -7.124 1.00 0.00 H new ATOM 0 HA HIS A 75 -7.560 -14.967 -5.545 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -5.905 -16.605 -3.660 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -7.319 -15.623 -3.336 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -6.632 -19.157 -3.078 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.492 -19.126 -4.836 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -8.763 -20.554 -3.631 1.00 0.00 H new ATOM 1184 N THR A 76 -5.134 -14.341 -6.635 1.00 0.00 N ATOM 1185 CA THR A 76 -3.903 -13.586 -6.830 1.00 0.00 C ATOM 1186 C THR A 76 -4.196 -12.172 -7.319 1.00 0.00 C ATOM 1187 O THR A 76 -5.167 -11.943 -8.041 1.00 0.00 O ATOM 1188 CB THR A 76 -2.970 -14.282 -7.840 1.00 0.00 C ATOM 1189 OG1 THR A 76 -2.963 -15.695 -7.606 1.00 0.00 O ATOM 1190 CG2 THR A 76 -1.554 -13.738 -7.733 1.00 0.00 C ATOM 0 H THR A 76 -5.735 -14.386 -7.458 1.00 0.00 H new ATOM 0 HA THR A 76 -3.406 -13.537 -5.861 1.00 0.00 H new ATOM 0 HB THR A 76 -3.343 -14.082 -8.844 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.369 -16.131 -8.253 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.914 -14.244 -8.456 1.00 0.00 H new ATOM 0 HG22 THR A 76 -1.559 -12.668 -7.940 1.00 0.00 H new ATOM 0 HG23 THR A 76 -1.173 -13.911 -6.727 1.00 0.00 H new ATOM 1198 N PHE A 77 -3.352 -11.226 -6.921 1.00 0.00 N ATOM 1199 CA PHE A 77 -3.522 -9.834 -7.318 1.00 0.00 C ATOM 1200 C PHE A 77 -2.181 -9.207 -7.691 1.00 0.00 C ATOM 1201 O PHE A 77 -1.122 -9.697 -7.296 1.00 0.00 O ATOM 1202 CB PHE A 77 -4.173 -9.034 -6.188 1.00 0.00 C ATOM 1203 CG PHE A 77 -3.564 -9.296 -4.840 1.00 0.00 C ATOM 1204 CD1 PHE A 77 -3.695 -10.535 -4.234 1.00 0.00 C ATOM 1205 CD2 PHE A 77 -2.861 -8.302 -4.178 1.00 0.00 C ATOM 1206 CE1 PHE A 77 -3.135 -10.779 -2.994 1.00 0.00 C ATOM 1207 CE2 PHE A 77 -2.298 -8.540 -2.939 1.00 0.00 C ATOM 1208 CZ PHE A 77 -2.437 -9.780 -2.345 1.00 0.00 C ATOM 0 H PHE A 77 -2.543 -11.398 -6.324 1.00 0.00 H new ATOM 0 HA PHE A 77 -4.172 -9.809 -8.193 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -4.093 -7.971 -6.414 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -5.236 -9.273 -6.150 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -4.241 -11.320 -4.736 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.752 -7.330 -4.636 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -3.243 -11.750 -2.533 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.750 -7.758 -2.435 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.001 -9.967 -1.375 1.00 0.00 H new ATOM 1218 N LYS A 78 -2.235 -8.122 -8.456 1.00 0.00 N ATOM 1219 CA LYS A 78 -1.026 -7.427 -8.883 1.00 0.00 C ATOM 1220 C LYS A 78 -1.086 -5.950 -8.505 1.00 0.00 C ATOM 1221 O LYS A 78 -2.155 -5.341 -8.508 1.00 0.00 O ATOM 1222 CB LYS A 78 -0.840 -7.569 -10.396 1.00 0.00 C ATOM 1223 CG LYS A 78 -1.932 -6.896 -11.209 1.00 0.00 C ATOM 1224 CD LYS A 78 -1.419 -6.449 -12.568 1.00 0.00 C ATOM 1225 CE LYS A 78 -2.381 -5.476 -13.234 1.00 0.00 C ATOM 1226 NZ LYS A 78 -1.898 -5.050 -14.576 1.00 0.00 N ATOM 0 H LYS A 78 -3.103 -7.705 -8.793 1.00 0.00 H new ATOM 0 HA LYS A 78 -0.176 -7.881 -8.373 1.00 0.00 H new ATOM 0 HB2 LYS A 78 0.124 -7.145 -10.676 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -0.809 -8.628 -10.652 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -2.765 -7.586 -11.342 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.316 -6.035 -10.662 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -0.444 -5.976 -12.453 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -1.278 -7.319 -13.209 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.361 -5.944 -13.332 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -2.509 -4.599 -12.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.581 -4.388 -14.997 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.975 -4.581 -14.480 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -1.800 -5.883 -15.190 1.00 0.00 H new ATOM 1240 N ALA A 79 0.070 -5.380 -8.180 1.00 0.00 N ATOM 1241 CA ALA A 79 0.150 -3.975 -7.803 1.00 0.00 C ATOM 1242 C ALA A 79 1.275 -3.268 -8.551 1.00 0.00 C ATOM 1243 O ALA A 79 2.453 -3.530 -8.309 1.00 0.00 O ATOM 1244 CB ALA A 79 0.348 -3.842 -6.300 1.00 0.00 C ATOM 0 H ALA A 79 0.964 -5.871 -8.170 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.790 -3.497 -8.079 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.406 -2.787 -6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -0.492 -4.302 -5.780 1.00 0.00 H new ATOM 0 HB3 ALA A 79 1.272 -4.341 -6.009 1.00 0.00 H new ATOM 1250 N GLU A 80 0.904 -2.373 -9.461 1.00 0.00 N ATOM 1251 CA GLU A 80 1.884 -1.630 -10.245 1.00 0.00 C ATOM 1252 C GLU A 80 1.497 -0.158 -10.345 1.00 0.00 C ATOM 1253 O GLU A 80 0.317 0.191 -10.299 1.00 0.00 O ATOM 1254 CB GLU A 80 2.010 -2.232 -11.646 1.00 0.00 C ATOM 1255 CG GLU A 80 0.842 -1.898 -12.559 1.00 0.00 C ATOM 1256 CD GLU A 80 1.008 -2.473 -13.953 1.00 0.00 C ATOM 1257 OE1 GLU A 80 0.776 -3.688 -14.124 1.00 0.00 O ATOM 1258 OE2 GLU A 80 1.370 -1.708 -14.871 1.00 0.00 O ATOM 0 H GLU A 80 -0.067 -2.145 -9.674 1.00 0.00 H new ATOM 0 HA GLU A 80 2.847 -1.701 -9.739 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.932 -1.875 -12.104 1.00 0.00 H new ATOM 0 HB3 GLU A 80 2.095 -3.315 -11.561 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -0.079 -2.281 -12.119 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.737 -0.815 -12.627 1.00 0.00 H new ATOM 1265 N HIS A 81 2.501 0.704 -10.481 1.00 0.00 N ATOM 1266 CA HIS A 81 2.267 2.139 -10.588 1.00 0.00 C ATOM 1267 C HIS A 81 2.089 2.554 -12.045 1.00 0.00 C ATOM 1268 O HIS A 81 2.028 3.743 -12.359 1.00 0.00 O ATOM 1269 CB HIS A 81 3.427 2.914 -9.962 1.00 0.00 C ATOM 1270 CG HIS A 81 3.086 4.332 -9.620 1.00 0.00 C ATOM 1271 ND1 HIS A 81 4.033 5.271 -9.273 1.00 0.00 N ATOM 1272 CD2 HIS A 81 1.892 4.969 -9.575 1.00 0.00 C ATOM 1273 CE1 HIS A 81 3.437 6.424 -9.027 1.00 0.00 C ATOM 1274 NE2 HIS A 81 2.138 6.268 -9.204 1.00 0.00 N ATOM 0 H HIS A 81 3.484 0.433 -10.520 1.00 0.00 H new ATOM 0 HA HIS A 81 1.350 2.374 -10.048 1.00 0.00 H new ATOM 0 HB2 HIS A 81 3.751 2.399 -9.058 1.00 0.00 H new ATOM 0 HB3 HIS A 81 4.271 2.908 -10.652 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.037 5.102 -9.215 1.00 0.00 H new ATOM 0 HD2 HIS A 81 0.926 4.536 -9.791 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.929 7.339 -8.731 1.00 0.00 H new ATOM 1316 N ARG A 85 7.019 -0.230 -11.226 1.00 0.00 N ATOM 1317 CA ARG A 85 7.243 -1.667 -11.114 1.00 0.00 C ATOM 1318 C ARG A 85 5.919 -2.415 -10.981 1.00 0.00 C ATOM 1319 O ARG A 85 4.914 -1.848 -10.552 1.00 0.00 O ATOM 1320 CB ARG A 85 8.138 -1.973 -9.912 1.00 0.00 C ATOM 1321 CG ARG A 85 8.994 -3.216 -10.091 1.00 0.00 C ATOM 1322 CD ARG A 85 10.326 -2.885 -10.747 1.00 0.00 C ATOM 1323 NE ARG A 85 10.225 -2.849 -12.203 1.00 0.00 N ATOM 1324 CZ ARG A 85 10.055 -3.930 -12.956 1.00 0.00 C ATOM 1325 NH1 ARG A 85 9.967 -5.127 -12.391 1.00 0.00 N ATOM 1326 NH2 ARG A 85 9.972 -3.816 -14.275 1.00 0.00 N ATOM 0 HA ARG A 85 7.741 -2.004 -12.023 1.00 0.00 H new ATOM 0 HB2 ARG A 85 8.788 -1.118 -9.727 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.514 -2.096 -9.027 1.00 0.00 H new ATOM 0 HG2 ARG A 85 9.170 -3.681 -9.121 1.00 0.00 H new ATOM 0 HG3 ARG A 85 8.458 -3.944 -10.700 1.00 0.00 H new ATOM 0 HD2 ARG A 85 10.679 -1.920 -10.384 1.00 0.00 H new ATOM 0 HD3 ARG A 85 11.069 -3.627 -10.453 1.00 0.00 H new ATOM 0 HE ARG A 85 10.289 -1.943 -12.668 1.00 0.00 H new ATOM 0 HH11 ARG A 85 10.030 -5.218 -11.377 1.00 0.00 H new ATOM 0 HH12 ARG A 85 9.836 -5.956 -12.971 1.00 0.00 H new ATOM 0 HH21 ARG A 85 10.039 -2.897 -14.713 1.00 0.00 H new ATOM 0 HH22 ARG A 85 9.841 -4.647 -14.852 1.00 0.00 H new ATOM 1340 N THR A 86 5.927 -3.691 -11.352 1.00 0.00 N ATOM 1341 CA THR A 86 4.728 -4.516 -11.276 1.00 0.00 C ATOM 1342 C THR A 86 4.897 -5.639 -10.259 1.00 0.00 C ATOM 1343 O THR A 86 5.541 -6.650 -10.538 1.00 0.00 O ATOM 1344 CB THR A 86 4.379 -5.128 -12.646 1.00 0.00 C ATOM 1345 OG1 THR A 86 4.286 -4.096 -13.634 1.00 0.00 O ATOM 1346 CG2 THR A 86 3.065 -5.892 -12.578 1.00 0.00 C ATOM 0 H THR A 86 6.751 -4.176 -11.708 1.00 0.00 H new ATOM 0 HA THR A 86 3.915 -3.863 -10.960 1.00 0.00 H new ATOM 0 HB THR A 86 5.172 -5.824 -12.921 1.00 0.00 H new ATOM 0 HG1 THR A 86 4.066 -4.493 -14.502 1.00 0.00 H new ATOM 0 HG21 THR A 86 2.839 -6.315 -13.557 1.00 0.00 H new ATOM 0 HG22 THR A 86 3.149 -6.695 -11.846 1.00 0.00 H new ATOM 0 HG23 THR A 86 2.265 -5.214 -12.283 1.00 0.00 H new ATOM 1354 N TYR A 87 4.314 -5.455 -9.080 1.00 0.00 N ATOM 1355 CA TYR A 87 4.402 -6.453 -8.020 1.00 0.00 C ATOM 1356 C TYR A 87 3.263 -7.463 -8.127 1.00 0.00 C ATOM 1357 O TYR A 87 2.207 -7.168 -8.687 1.00 0.00 O ATOM 1358 CB TYR A 87 4.370 -5.775 -6.649 1.00 0.00 C ATOM 1359 CG TYR A 87 5.574 -4.901 -6.378 1.00 0.00 C ATOM 1360 CD1 TYR A 87 5.686 -3.642 -6.954 1.00 0.00 C ATOM 1361 CD2 TYR A 87 6.599 -5.335 -5.547 1.00 0.00 C ATOM 1362 CE1 TYR A 87 6.784 -2.840 -6.710 1.00 0.00 C ATOM 1363 CE2 TYR A 87 7.700 -4.539 -5.296 1.00 0.00 C ATOM 1364 CZ TYR A 87 7.788 -3.293 -5.880 1.00 0.00 C ATOM 1365 OH TYR A 87 8.884 -2.498 -5.634 1.00 0.00 O ATOM 0 H TYR A 87 3.775 -4.624 -8.834 1.00 0.00 H new ATOM 0 HA TYR A 87 5.347 -6.985 -8.133 1.00 0.00 H new ATOM 0 HB2 TYR A 87 3.467 -5.169 -6.574 1.00 0.00 H new ATOM 0 HB3 TYR A 87 4.306 -6.540 -5.876 1.00 0.00 H new ATOM 0 HD1 TYR A 87 4.901 -3.284 -7.604 1.00 0.00 H new ATOM 0 HD2 TYR A 87 6.534 -6.311 -5.089 1.00 0.00 H new ATOM 0 HE1 TYR A 87 6.856 -1.864 -7.167 1.00 0.00 H new ATOM 0 HE2 TYR A 87 8.487 -4.891 -4.646 1.00 0.00 H new ATOM 0 HH TYR A 87 9.497 -2.965 -5.028 1.00 0.00 H new ATOM 1375 N PHE A 88 3.486 -8.655 -7.584 1.00 0.00 N ATOM 1376 CA PHE A 88 2.480 -9.710 -7.617 1.00 0.00 C ATOM 1377 C PHE A 88 2.393 -10.422 -6.270 1.00 0.00 C ATOM 1378 O PHE A 88 3.409 -10.670 -5.620 1.00 0.00 O ATOM 1379 CB PHE A 88 2.804 -10.719 -8.720 1.00 0.00 C ATOM 1380 CG PHE A 88 2.483 -10.222 -10.101 1.00 0.00 C ATOM 1381 CD1 PHE A 88 1.184 -10.258 -10.580 1.00 0.00 C ATOM 1382 CD2 PHE A 88 3.481 -9.718 -10.920 1.00 0.00 C ATOM 1383 CE1 PHE A 88 0.885 -9.801 -11.850 1.00 0.00 C ATOM 1384 CE2 PHE A 88 3.188 -9.260 -12.190 1.00 0.00 C ATOM 1385 CZ PHE A 88 1.889 -9.302 -12.656 1.00 0.00 C ATOM 0 H PHE A 88 4.354 -8.915 -7.116 1.00 0.00 H new ATOM 0 HA PHE A 88 1.515 -9.250 -7.827 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.863 -10.972 -8.671 1.00 0.00 H new ATOM 0 HB3 PHE A 88 2.248 -11.638 -8.535 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.395 -10.648 -9.954 1.00 0.00 H new ATOM 0 HD2 PHE A 88 4.499 -9.683 -10.561 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -0.132 -9.834 -12.211 1.00 0.00 H new ATOM 0 HE2 PHE A 88 3.975 -8.869 -12.818 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.659 -8.945 -13.649 1.00 0.00 H new ATOM 1395 N PHE A 89 1.173 -10.749 -5.857 1.00 0.00 N ATOM 1396 CA PHE A 89 0.953 -11.431 -4.588 1.00 0.00 C ATOM 1397 C PHE A 89 -0.152 -12.476 -4.716 1.00 0.00 C ATOM 1398 O PHE A 89 -1.193 -12.223 -5.321 1.00 0.00 O ATOM 1399 CB PHE A 89 0.590 -10.421 -3.498 1.00 0.00 C ATOM 1400 CG PHE A 89 1.535 -9.256 -3.421 1.00 0.00 C ATOM 1401 CD1 PHE A 89 2.878 -9.454 -3.145 1.00 0.00 C ATOM 1402 CD2 PHE A 89 1.080 -7.963 -3.626 1.00 0.00 C ATOM 1403 CE1 PHE A 89 3.750 -8.384 -3.074 1.00 0.00 C ATOM 1404 CE2 PHE A 89 1.948 -6.889 -3.556 1.00 0.00 C ATOM 1405 CZ PHE A 89 3.284 -7.100 -3.281 1.00 0.00 C ATOM 0 H PHE A 89 0.322 -10.552 -6.383 1.00 0.00 H new ATOM 0 HA PHE A 89 1.878 -11.937 -4.312 1.00 0.00 H new ATOM 0 HB2 PHE A 89 -0.418 -10.049 -3.680 1.00 0.00 H new ATOM 0 HB3 PHE A 89 0.573 -10.929 -2.534 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.248 -10.456 -2.983 1.00 0.00 H new ATOM 0 HD2 PHE A 89 0.036 -7.792 -3.843 1.00 0.00 H new ATOM 0 HE1 PHE A 89 4.795 -8.551 -2.857 1.00 0.00 H new ATOM 0 HE2 PHE A 89 1.581 -5.886 -3.716 1.00 0.00 H new ATOM 0 HZ PHE A 89 3.964 -6.263 -3.228 1.00 0.00 H new ATOM 1415 N SER A 90 0.085 -13.652 -4.144 1.00 0.00 N ATOM 1416 CA SER A 90 -0.887 -14.738 -4.197 1.00 0.00 C ATOM 1417 C SER A 90 -1.358 -15.115 -2.796 1.00 0.00 C ATOM 1418 O SER A 90 -0.568 -15.552 -1.960 1.00 0.00 O ATOM 1419 CB SER A 90 -0.280 -15.960 -4.889 1.00 0.00 C ATOM 1420 OG SER A 90 -1.150 -17.076 -4.809 1.00 0.00 O ATOM 0 H SER A 90 0.942 -13.877 -3.638 1.00 0.00 H new ATOM 0 HA SER A 90 -1.748 -14.394 -4.770 1.00 0.00 H new ATOM 0 HB2 SER A 90 -0.078 -15.727 -5.934 1.00 0.00 H new ATOM 0 HB3 SER A 90 0.676 -16.206 -4.427 1.00 0.00 H new ATOM 0 HG SER A 90 -0.740 -17.843 -5.260 1.00 0.00 H new ATOM 1426 N ALA A 91 -2.653 -14.942 -2.548 1.00 0.00 N ATOM 1427 CA ALA A 91 -3.231 -15.265 -1.250 1.00 0.00 C ATOM 1428 C ALA A 91 -3.601 -16.742 -1.166 1.00 0.00 C ATOM 1429 O ALA A 91 -4.230 -17.285 -2.073 1.00 0.00 O ATOM 1430 CB ALA A 91 -4.453 -14.397 -0.985 1.00 0.00 C ATOM 0 H ALA A 91 -3.321 -14.580 -3.229 1.00 0.00 H new ATOM 0 HA ALA A 91 -2.481 -15.061 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -4.874 -14.649 -0.012 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -4.162 -13.347 -0.993 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -5.199 -14.573 -1.760 1.00 0.00 H new ATOM 1436 N GLU A 92 -3.206 -17.385 -0.072 1.00 0.00 N ATOM 1437 CA GLU A 92 -3.496 -18.800 0.128 1.00 0.00 C ATOM 1438 C GLU A 92 -5.001 -19.052 0.134 1.00 0.00 C ATOM 1439 O GLU A 92 -5.459 -20.145 -0.198 1.00 0.00 O ATOM 1440 CB GLU A 92 -2.880 -19.289 1.441 1.00 0.00 C ATOM 1441 CG GLU A 92 -1.378 -19.077 1.526 1.00 0.00 C ATOM 1442 CD GLU A 92 -0.730 -19.920 2.607 1.00 0.00 C ATOM 1443 OE1 GLU A 92 -0.921 -19.604 3.800 1.00 0.00 O ATOM 1444 OE2 GLU A 92 -0.032 -20.896 2.260 1.00 0.00 O ATOM 0 H GLU A 92 -2.685 -16.949 0.689 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.056 -19.355 -0.700 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -3.359 -18.771 2.272 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -3.096 -20.351 1.560 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -0.926 -19.317 0.564 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -1.174 -18.024 1.720 1.00 0.00 H new ATOM 1451 N SER A 93 -5.764 -18.033 0.515 1.00 0.00 N ATOM 1452 CA SER A 93 -7.217 -18.144 0.569 1.00 0.00 C ATOM 1453 C SER A 93 -7.877 -17.022 -0.227 1.00 0.00 C ATOM 1454 O SER A 93 -7.320 -15.938 -0.400 1.00 0.00 O ATOM 1455 CB SER A 93 -7.699 -18.106 2.021 1.00 0.00 C ATOM 1456 OG SER A 93 -7.682 -19.400 2.598 1.00 0.00 O ATOM 0 H SER A 93 -5.400 -17.121 0.791 1.00 0.00 H new ATOM 0 HA SER A 93 -7.501 -19.098 0.124 1.00 0.00 H new ATOM 0 HB2 SER A 93 -7.063 -17.437 2.601 1.00 0.00 H new ATOM 0 HB3 SER A 93 -8.710 -17.700 2.061 1.00 0.00 H new ATOM 0 HG SER A 93 -7.993 -19.348 3.526 1.00 0.00 H new ATOM 1462 N PRO A 94 -9.095 -17.288 -0.723 1.00 0.00 N ATOM 1463 CA PRO A 94 -9.859 -16.314 -1.509 1.00 0.00 C ATOM 1464 C PRO A 94 -10.351 -15.145 -0.662 1.00 0.00 C ATOM 1465 O PRO A 94 -10.361 -14.001 -1.115 1.00 0.00 O ATOM 1466 CB PRO A 94 -11.043 -17.132 -2.032 1.00 0.00 C ATOM 1467 CG PRO A 94 -11.203 -18.238 -1.047 1.00 0.00 C ATOM 1468 CD PRO A 94 -9.819 -18.559 -0.555 1.00 0.00 C ATOM 0 HA PRO A 94 -9.256 -15.861 -2.296 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -11.946 -16.525 -2.096 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -10.847 -17.518 -3.032 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -11.850 -17.936 -0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -11.664 -19.110 -1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -9.827 -18.882 0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -9.362 -19.361 -1.134 1.00 0.00 H new ATOM 1476 N GLU A 95 -10.759 -15.441 0.568 1.00 0.00 N ATOM 1477 CA GLU A 95 -11.253 -14.413 1.476 1.00 0.00 C ATOM 1478 C GLU A 95 -10.166 -13.384 1.776 1.00 0.00 C ATOM 1479 O GLU A 95 -10.459 -12.232 2.091 1.00 0.00 O ATOM 1480 CB GLU A 95 -11.745 -15.046 2.779 1.00 0.00 C ATOM 1481 CG GLU A 95 -10.658 -15.776 3.550 1.00 0.00 C ATOM 1482 CD GLU A 95 -11.018 -15.989 5.007 1.00 0.00 C ATOM 1483 OE1 GLU A 95 -10.874 -15.035 5.800 1.00 0.00 O ATOM 1484 OE2 GLU A 95 -11.445 -17.110 5.355 1.00 0.00 O ATOM 0 H GLU A 95 -10.757 -16.383 0.958 1.00 0.00 H new ATOM 0 HA GLU A 95 -12.086 -13.905 0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -12.169 -14.268 3.414 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -12.550 -15.745 2.552 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -10.472 -16.742 3.081 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -9.730 -15.207 3.488 1.00 0.00 H new ATOM 1491 N GLU A 96 -8.911 -13.811 1.676 1.00 0.00 N ATOM 1492 CA GLU A 96 -7.781 -12.928 1.938 1.00 0.00 C ATOM 1493 C GLU A 96 -7.497 -12.037 0.733 1.00 0.00 C ATOM 1494 O GLU A 96 -7.491 -10.811 0.843 1.00 0.00 O ATOM 1495 CB GLU A 96 -6.536 -13.746 2.287 1.00 0.00 C ATOM 1496 CG GLU A 96 -6.415 -14.070 3.766 1.00 0.00 C ATOM 1497 CD GLU A 96 -5.463 -15.219 4.036 1.00 0.00 C ATOM 1498 OE1 GLU A 96 -4.376 -15.245 3.421 1.00 0.00 O ATOM 1499 OE2 GLU A 96 -5.805 -16.092 4.861 1.00 0.00 O ATOM 0 H GLU A 96 -8.652 -14.762 1.416 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.038 -12.292 2.785 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -6.553 -14.677 1.720 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -5.650 -13.196 1.971 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.071 -13.185 4.301 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -7.400 -14.319 4.161 1.00 0.00 H new ATOM 1506 N GLN A 97 -7.260 -12.662 -0.416 1.00 0.00 N ATOM 1507 CA GLN A 97 -6.973 -11.926 -1.641 1.00 0.00 C ATOM 1508 C GLN A 97 -7.775 -10.629 -1.698 1.00 0.00 C ATOM 1509 O GLN A 97 -7.207 -9.539 -1.732 1.00 0.00 O ATOM 1510 CB GLN A 97 -7.288 -12.788 -2.865 1.00 0.00 C ATOM 1511 CG GLN A 97 -7.156 -12.044 -4.184 1.00 0.00 C ATOM 1512 CD GLN A 97 -8.079 -12.588 -5.256 1.00 0.00 C ATOM 1513 OE1 GLN A 97 -9.019 -13.328 -4.965 1.00 0.00 O ATOM 1514 NE2 GLN A 97 -7.815 -12.223 -6.505 1.00 0.00 N ATOM 0 H GLN A 97 -7.261 -13.676 -0.524 1.00 0.00 H new ATOM 0 HA GLN A 97 -5.912 -11.676 -1.644 1.00 0.00 H new ATOM 0 HB2 GLN A 97 -6.619 -13.649 -2.875 1.00 0.00 H new ATOM 0 HB3 GLN A 97 -8.303 -13.174 -2.775 1.00 0.00 H new ATOM 0 HG2 GLN A 97 -7.374 -10.988 -4.024 1.00 0.00 H new ATOM 0 HG3 GLN A 97 -6.125 -12.108 -4.531 1.00 0.00 H new ATOM 0 HE21 GLN A 97 -7.025 -11.608 -6.700 1.00 0.00 H new ATOM 0 HE22 GLN A 97 -8.402 -12.558 -7.269 1.00 0.00 H new ATOM 1523 N GLU A 98 -9.098 -10.758 -1.708 1.00 0.00 N ATOM 1524 CA GLU A 98 -9.977 -9.596 -1.761 1.00 0.00 C ATOM 1525 C GLU A 98 -9.622 -8.594 -0.666 1.00 0.00 C ATOM 1526 O GLU A 98 -9.338 -7.429 -0.944 1.00 0.00 O ATOM 1527 CB GLU A 98 -11.439 -10.027 -1.619 1.00 0.00 C ATOM 1528 CG GLU A 98 -11.894 -10.999 -2.695 1.00 0.00 C ATOM 1529 CD GLU A 98 -13.223 -11.651 -2.367 1.00 0.00 C ATOM 1530 OE1 GLU A 98 -14.253 -10.948 -2.398 1.00 0.00 O ATOM 1531 OE2 GLU A 98 -13.231 -12.867 -2.080 1.00 0.00 O ATOM 0 H GLU A 98 -9.584 -11.654 -1.680 1.00 0.00 H new ATOM 0 HA GLU A 98 -9.840 -9.114 -2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -11.580 -10.488 -0.641 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -12.075 -9.142 -1.648 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -11.977 -10.471 -3.645 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -11.137 -11.772 -2.825 1.00 0.00 H new ATOM 1538 N ALA A 99 -9.642 -9.056 0.579 1.00 0.00 N ATOM 1539 CA ALA A 99 -9.322 -8.203 1.717 1.00 0.00 C ATOM 1540 C ALA A 99 -8.107 -7.330 1.422 1.00 0.00 C ATOM 1541 O ALA A 99 -8.125 -6.123 1.664 1.00 0.00 O ATOM 1542 CB ALA A 99 -9.079 -9.047 2.959 1.00 0.00 C ATOM 0 H ALA A 99 -9.877 -10.017 0.826 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.173 -7.547 1.899 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -8.841 -8.396 3.800 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -9.975 -9.624 3.188 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -8.246 -9.727 2.780 1.00 0.00 H new ATOM 1548 N TRP A 100 -7.053 -7.947 0.900 1.00 0.00 N ATOM 1549 CA TRP A 100 -5.829 -7.225 0.573 1.00 0.00 C ATOM 1550 C TRP A 100 -6.082 -6.189 -0.516 1.00 0.00 C ATOM 1551 O TRP A 100 -5.895 -4.991 -0.301 1.00 0.00 O ATOM 1552 CB TRP A 100 -4.741 -8.202 0.122 1.00 0.00 C ATOM 1553 CG TRP A 100 -4.009 -8.843 1.262 1.00 0.00 C ATOM 1554 CD1 TRP A 100 -4.224 -10.089 1.778 1.00 0.00 C ATOM 1555 CD2 TRP A 100 -2.945 -8.268 2.028 1.00 0.00 C ATOM 1556 NE1 TRP A 100 -3.358 -10.324 2.818 1.00 0.00 N ATOM 1557 CE2 TRP A 100 -2.562 -9.222 2.991 1.00 0.00 C ATOM 1558 CE3 TRP A 100 -2.276 -7.041 1.993 1.00 0.00 C ATOM 1559 CZ2 TRP A 100 -1.543 -8.985 3.909 1.00 0.00 C ATOM 1560 CZ3 TRP A 100 -1.265 -6.808 2.905 1.00 0.00 C ATOM 1561 CH2 TRP A 100 -0.905 -7.776 3.852 1.00 0.00 C ATOM 0 H TRP A 100 -7.021 -8.946 0.694 1.00 0.00 H new ATOM 0 HA TRP A 100 -5.492 -6.706 1.470 1.00 0.00 H new ATOM 0 HB2 TRP A 100 -5.193 -8.980 -0.493 1.00 0.00 H new ATOM 0 HB3 TRP A 100 -4.026 -7.673 -0.508 1.00 0.00 H new ATOM 0 HD1 TRP A 100 -4.966 -10.787 1.421 1.00 0.00 H new ATOM 0 HE1 TRP A 100 -3.314 -11.180 3.372 1.00 0.00 H new ATOM 0 HE3 TRP A 100 -2.545 -6.289 1.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 100 -1.266 -9.729 4.641 1.00 0.00 H new ATOM 0 HZ3 TRP A 100 -0.743 -5.863 2.888 1.00 0.00 H new ATOM 0 HH2 TRP A 100 -0.109 -7.564 4.550 1.00 0.00 H new ATOM 1572 N ILE A 101 -6.508 -6.657 -1.684 1.00 0.00 N ATOM 1573 CA ILE A 101 -6.788 -5.769 -2.806 1.00 0.00 C ATOM 1574 C ILE A 101 -7.449 -4.479 -2.334 1.00 0.00 C ATOM 1575 O ILE A 101 -7.201 -3.406 -2.884 1.00 0.00 O ATOM 1576 CB ILE A 101 -7.696 -6.447 -3.848 1.00 0.00 C ATOM 1577 CG1 ILE A 101 -6.969 -7.623 -4.503 1.00 0.00 C ATOM 1578 CG2 ILE A 101 -8.141 -5.441 -4.899 1.00 0.00 C ATOM 1579 CD1 ILE A 101 -7.893 -8.581 -5.222 1.00 0.00 C ATOM 0 H ILE A 101 -6.667 -7.646 -1.878 1.00 0.00 H new ATOM 0 HA ILE A 101 -5.830 -5.535 -3.270 1.00 0.00 H new ATOM 0 HB ILE A 101 -8.582 -6.829 -3.341 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -6.236 -7.237 -5.212 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -6.416 -8.169 -3.739 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -8.782 -5.936 -5.628 1.00 0.00 H new ATOM 0 HG22 ILE A 101 -8.694 -4.634 -4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 101 -7.266 -5.031 -5.404 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -7.309 -9.389 -5.662 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -8.610 -8.996 -4.514 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -8.427 -8.049 -6.010 1.00 0.00 H new ATOM 1591 N GLN A 102 -8.290 -4.591 -1.311 1.00 0.00 N ATOM 1592 CA GLN A 102 -8.987 -3.433 -0.764 1.00 0.00 C ATOM 1593 C GLN A 102 -8.133 -2.729 0.285 1.00 0.00 C ATOM 1594 O GLN A 102 -8.054 -1.502 0.315 1.00 0.00 O ATOM 1595 CB GLN A 102 -10.323 -3.857 -0.151 1.00 0.00 C ATOM 1596 CG GLN A 102 -11.131 -4.789 -1.039 1.00 0.00 C ATOM 1597 CD GLN A 102 -12.623 -4.683 -0.792 1.00 0.00 C ATOM 1598 OE1 GLN A 102 -13.072 -4.646 0.354 1.00 0.00 O ATOM 1599 NE2 GLN A 102 -13.399 -4.633 -1.867 1.00 0.00 N ATOM 0 H GLN A 102 -8.505 -5.472 -0.844 1.00 0.00 H new ATOM 0 HA GLN A 102 -9.175 -2.736 -1.580 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -10.135 -4.350 0.803 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -10.915 -2.967 0.061 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -10.923 -4.560 -2.084 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -10.810 -5.817 -0.868 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -12.983 -4.667 -2.798 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -14.411 -4.561 -1.763 1.00 0.00 H new ATOM 1608 N ALA A 103 -7.494 -3.516 1.146 1.00 0.00 N ATOM 1609 CA ALA A 103 -6.645 -2.969 2.196 1.00 0.00 C ATOM 1610 C ALA A 103 -5.496 -2.158 1.606 1.00 0.00 C ATOM 1611 O ALA A 103 -5.402 -0.950 1.821 1.00 0.00 O ATOM 1612 CB ALA A 103 -6.106 -4.087 3.076 1.00 0.00 C ATOM 0 H ALA A 103 -7.549 -4.534 1.136 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.251 -2.301 2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -5.473 -3.663 3.856 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.938 -4.622 3.534 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.520 -4.777 2.469 1.00 0.00 H new ATOM 1618 N MET A 104 -4.624 -2.831 0.862 1.00 0.00 N ATOM 1619 CA MET A 104 -3.481 -2.171 0.241 1.00 0.00 C ATOM 1620 C MET A 104 -3.926 -1.301 -0.930 1.00 0.00 C ATOM 1621 O MET A 104 -3.197 -0.413 -1.369 1.00 0.00 O ATOM 1622 CB MET A 104 -2.464 -3.209 -0.238 1.00 0.00 C ATOM 1623 CG MET A 104 -2.895 -3.947 -1.495 1.00 0.00 C ATOM 1624 SD MET A 104 -1.566 -4.934 -2.211 1.00 0.00 S ATOM 1625 CE MET A 104 -1.124 -5.969 -0.817 1.00 0.00 C ATOM 0 H MET A 104 -4.687 -3.832 0.675 1.00 0.00 H new ATOM 0 HA MET A 104 -3.012 -1.531 0.989 1.00 0.00 H new ATOM 0 HB2 MET A 104 -1.512 -2.713 -0.426 1.00 0.00 H new ATOM 0 HB3 MET A 104 -2.294 -3.933 0.558 1.00 0.00 H new ATOM 0 HG2 MET A 104 -3.738 -4.596 -1.259 1.00 0.00 H new ATOM 0 HG3 MET A 104 -3.245 -3.226 -2.233 1.00 0.00 H new ATOM 0 HE1 MET A 104 -0.300 -6.625 -1.098 1.00 0.00 H new ATOM 0 HE2 MET A 104 -0.819 -5.341 0.020 1.00 0.00 H new ATOM 0 HE3 MET A 104 -1.984 -6.571 -0.524 1.00 0.00 H new ATOM 1635 N GLY A 105 -5.129 -1.563 -1.433 1.00 0.00 N ATOM 1636 CA GLY A 105 -5.650 -0.796 -2.549 1.00 0.00 C ATOM 1637 C GLY A 105 -6.116 0.586 -2.135 1.00 0.00 C ATOM 1638 O GLY A 105 -5.782 1.579 -2.780 1.00 0.00 O ATOM 0 H GLY A 105 -5.752 -2.293 -1.087 1.00 0.00 H new ATOM 0 HA2 GLY A 105 -4.878 -0.702 -3.313 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -6.482 -1.337 -3.001 1.00 0.00 H new ATOM 1642 N GLU A 106 -6.891 0.649 -1.057 1.00 0.00 N ATOM 1643 CA GLU A 106 -7.406 1.920 -0.561 1.00 0.00 C ATOM 1644 C GLU A 106 -6.266 2.891 -0.268 1.00 0.00 C ATOM 1645 O GLU A 106 -6.288 4.041 -0.707 1.00 0.00 O ATOM 1646 CB GLU A 106 -8.239 1.699 0.703 1.00 0.00 C ATOM 1647 CG GLU A 106 -7.429 1.769 1.987 1.00 0.00 C ATOM 1648 CD GLU A 106 -8.294 1.673 3.229 1.00 0.00 C ATOM 1649 OE1 GLU A 106 -9.138 2.571 3.434 1.00 0.00 O ATOM 1650 OE2 GLU A 106 -8.127 0.701 3.995 1.00 0.00 O ATOM 0 H GLU A 106 -7.176 -0.164 -0.511 1.00 0.00 H new ATOM 0 HA GLU A 106 -8.040 2.353 -1.335 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -9.030 2.447 0.742 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -8.724 0.725 0.642 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -6.697 0.961 1.995 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -6.871 2.705 2.009 1.00 0.00 H new ATOM 1657 N ALA A 107 -5.272 2.420 0.478 1.00 0.00 N ATOM 1658 CA ALA A 107 -4.123 3.246 0.829 1.00 0.00 C ATOM 1659 C ALA A 107 -3.468 3.834 -0.417 1.00 0.00 C ATOM 1660 O ALA A 107 -2.821 4.878 -0.355 1.00 0.00 O ATOM 1661 CB ALA A 107 -3.112 2.433 1.624 1.00 0.00 C ATOM 0 H ALA A 107 -5.239 1.471 0.851 1.00 0.00 H new ATOM 0 HA ALA A 107 -4.476 4.072 1.447 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -2.259 3.062 1.879 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -3.579 2.066 2.538 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -2.773 1.588 1.025 1.00 0.00 H new ATOM 1667 N ALA A 108 -3.641 3.155 -1.547 1.00 0.00 N ATOM 1668 CA ALA A 108 -3.068 3.612 -2.807 1.00 0.00 C ATOM 1669 C ALA A 108 -4.016 4.565 -3.527 1.00 0.00 C ATOM 1670 O ALA A 108 -3.579 5.495 -4.205 1.00 0.00 O ATOM 1671 CB ALA A 108 -2.735 2.423 -3.696 1.00 0.00 C ATOM 0 H ALA A 108 -4.173 2.287 -1.615 1.00 0.00 H new ATOM 0 HA ALA A 108 -2.149 4.155 -2.585 1.00 0.00 H new ATOM 0 HB1 ALA A 108 -2.308 2.778 -4.634 1.00 0.00 H new ATOM 0 HB2 ALA A 108 -2.015 1.780 -3.190 1.00 0.00 H new ATOM 0 HB3 ALA A 108 -3.644 1.857 -3.902 1.00 0.00 H new ATOM 1677 N ARG A 109 -5.315 4.326 -3.378 1.00 0.00 N ATOM 1678 CA ARG A 109 -6.324 5.162 -4.016 1.00 0.00 C ATOM 1679 C ARG A 109 -6.607 6.407 -3.180 1.00 0.00 C ATOM 1680 O ARG A 109 -6.401 6.412 -1.966 1.00 0.00 O ATOM 1681 CB ARG A 109 -7.616 4.370 -4.224 1.00 0.00 C ATOM 1682 CG ARG A 109 -8.561 4.423 -3.035 1.00 0.00 C ATOM 1683 CD ARG A 109 -9.586 3.301 -3.088 1.00 0.00 C ATOM 1684 NE ARG A 109 -10.334 3.183 -1.839 1.00 0.00 N ATOM 1685 CZ ARG A 109 -11.292 4.027 -1.473 1.00 0.00 C ATOM 1686 NH1 ARG A 109 -11.618 5.045 -2.257 1.00 0.00 N ATOM 1687 NH2 ARG A 109 -11.926 3.853 -0.320 1.00 0.00 N ATOM 0 H ARG A 109 -5.693 3.560 -2.821 1.00 0.00 H new ATOM 0 HA ARG A 109 -5.938 5.477 -4.986 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -8.131 4.756 -5.104 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -7.365 3.330 -4.432 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -7.988 4.351 -2.110 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -9.073 5.385 -3.019 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -10.279 3.482 -3.910 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -9.081 2.358 -3.298 1.00 0.00 H new ATOM 0 HE ARG A 109 -10.108 2.410 -1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -11.133 5.182 -3.144 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -12.354 5.692 -1.974 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -11.678 3.071 0.286 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -12.662 4.502 -0.040 1.00 0.00 H new