USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 506 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 14 SER OG : rot 180:sc= -0.786 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.79,f=-2) USER MOD Single : A 11 CYS SG : rot -170:sc= -6.15! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.338 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.3 X(o=-1.3,f=-0.98) USER MOD Single : A 32 SER OG : rot -160:sc= -0.788 USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.0638 USER MOD Single : A 44 ASN : amide:sc= -1.33 K(o=-1.3,f=-2!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot -64:sc= -0.566 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 90.476 -4.320 -9.776 1.00 0.00 N ATOM 102 CA ASP A 7 90.830 -4.996 -8.489 1.00 0.00 C ATOM 103 C ASP A 7 89.878 -4.543 -7.377 1.00 0.00 C ATOM 104 O ASP A 7 89.627 -5.272 -6.436 1.00 0.00 O ATOM 105 CB ASP A 7 92.268 -4.567 -8.178 1.00 0.00 C ATOM 106 CG ASP A 7 93.217 -5.091 -9.263 1.00 0.00 C ATOM 107 OD1 ASP A 7 92.918 -6.125 -9.840 1.00 0.00 O ATOM 108 OD2 ASP A 7 94.226 -4.448 -9.496 1.00 0.00 O ATOM 0 HA ASP A 7 90.745 -6.080 -8.561 1.00 0.00 H new ATOM 0 HB2 ASP A 7 92.329 -3.480 -8.124 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.569 -4.952 -7.203 1.00 0.00 H new ATOM 113 N TRP A 8 89.351 -3.345 -7.482 1.00 0.00 N ATOM 114 CA TRP A 8 88.440 -2.825 -6.418 1.00 0.00 C ATOM 115 C TRP A 8 87.043 -3.446 -6.527 1.00 0.00 C ATOM 116 O TRP A 8 86.253 -3.342 -5.610 1.00 0.00 O ATOM 117 CB TRP A 8 88.364 -1.314 -6.624 1.00 0.00 C ATOM 118 CG TRP A 8 89.484 -0.557 -5.983 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.149 0.468 -6.568 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.082 -0.737 -4.663 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.121 0.940 -5.699 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.136 0.239 -4.514 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.833 -1.645 -3.567 1.00 0.00 C ATOM 124 CZ2 TRP A 8 91.920 0.319 -3.323 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.620 -1.569 -2.367 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.663 -0.589 -2.248 1.00 0.00 C ATOM 0 H TRP A 8 89.514 -2.706 -8.260 1.00 0.00 H new ATOM 0 HA TRP A 8 88.819 -3.080 -5.428 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.361 -1.103 -7.693 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.417 -0.950 -6.225 1.00 0.00 H new ATOM 0 HD1 TRP A 8 89.953 0.857 -7.556 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.750 1.714 -5.912 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.051 -2.385 -3.650 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.701 1.060 -3.235 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.427 -2.251 -1.552 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.254 -0.537 -1.346 1.00 0.00 H new ATOM 137 N ILE A 9 86.717 -4.095 -7.626 1.00 0.00 N ATOM 138 CA ILE A 9 85.306 -4.572 -7.824 1.00 0.00 C ATOM 139 C ILE A 9 84.887 -5.476 -6.652 1.00 0.00 C ATOM 140 O ILE A 9 85.583 -6.408 -6.292 1.00 0.00 O ATOM 141 CB ILE A 9 85.305 -5.354 -9.152 1.00 0.00 C ATOM 142 CG1 ILE A 9 85.737 -4.441 -10.319 1.00 0.00 C ATOM 143 CG2 ILE A 9 83.897 -5.896 -9.434 1.00 0.00 C ATOM 144 CD1 ILE A 9 84.805 -3.226 -10.427 1.00 0.00 C ATOM 0 H ILE A 9 87.361 -4.313 -8.387 1.00 0.00 H new ATOM 0 HA ILE A 9 84.597 -3.745 -7.858 1.00 0.00 H new ATOM 0 HB ILE A 9 86.011 -6.180 -9.065 1.00 0.00 H new ATOM 0 HG12 ILE A 9 86.763 -4.107 -10.166 1.00 0.00 H new ATOM 0 HG13 ILE A 9 85.721 -5.003 -11.253 1.00 0.00 H new ATOM 0 HG21 ILE A 9 83.901 -6.448 -10.374 1.00 0.00 H new ATOM 0 HG22 ILE A 9 83.594 -6.560 -8.624 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.195 -5.065 -9.504 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.125 -2.594 -11.255 1.00 0.00 H new ATOM 0 HD12 ILE A 9 83.784 -3.565 -10.603 1.00 0.00 H new ATOM 0 HD13 ILE A 9 84.843 -2.655 -9.499 1.00 0.00 H new ATOM 156 N GLY A 10 83.752 -5.196 -6.064 1.00 0.00 N ATOM 157 CA GLY A 10 83.296 -5.969 -4.872 1.00 0.00 C ATOM 158 C GLY A 10 83.899 -5.420 -3.567 1.00 0.00 C ATOM 159 O GLY A 10 83.613 -5.939 -2.502 1.00 0.00 O ATOM 0 H GLY A 10 83.116 -4.457 -6.363 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.208 -5.935 -4.812 1.00 0.00 H new ATOM 0 HA3 GLY A 10 83.576 -7.016 -4.989 1.00 0.00 H new ATOM 163 N CYS A 11 84.726 -4.386 -3.621 1.00 0.00 N ATOM 164 CA CYS A 11 85.300 -3.830 -2.347 1.00 0.00 C ATOM 165 C CYS A 11 84.300 -2.866 -1.682 1.00 0.00 C ATOM 166 O CYS A 11 83.452 -2.294 -2.341 1.00 0.00 O ATOM 167 CB CYS A 11 86.650 -3.158 -2.733 1.00 0.00 C ATOM 168 SG CYS A 11 86.453 -1.472 -3.407 1.00 0.00 S ATOM 0 H CYS A 11 85.020 -3.915 -4.477 1.00 0.00 H new ATOM 0 HA CYS A 11 85.484 -4.603 -1.601 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.292 -3.117 -1.853 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.159 -3.779 -3.470 1.00 0.00 H new ATOM 0 HG CYS A 11 87.586 -1.066 -3.898 1.00 0.00 H new ATOM 174 N ALA A 12 84.401 -2.690 -0.388 1.00 0.00 N ATOM 175 CA ALA A 12 83.398 -1.856 0.345 1.00 0.00 C ATOM 176 C ALA A 12 83.873 -0.404 0.431 1.00 0.00 C ATOM 177 O ALA A 12 84.922 -0.129 0.983 1.00 0.00 O ATOM 178 CB ALA A 12 83.327 -2.473 1.743 1.00 0.00 C ATOM 0 H ALA A 12 85.137 -3.089 0.194 1.00 0.00 H new ATOM 0 HA ALA A 12 82.429 -1.844 -0.153 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.611 -1.919 2.349 1.00 0.00 H new ATOM 0 HB2 ALA A 12 83.010 -3.513 1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.310 -2.428 2.211 1.00 0.00 H new ATOM 184 N VAL A 13 83.110 0.521 -0.104 1.00 0.00 N ATOM 185 CA VAL A 13 83.530 1.958 -0.068 1.00 0.00 C ATOM 186 C VAL A 13 82.352 2.854 0.335 1.00 0.00 C ATOM 187 O VAL A 13 81.201 2.487 0.179 1.00 0.00 O ATOM 188 CB VAL A 13 84.001 2.280 -1.493 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.181 1.379 -1.857 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.860 2.044 -2.491 1.00 0.00 C ATOM 0 H VAL A 13 82.217 0.343 -0.563 1.00 0.00 H new ATOM 0 HA VAL A 13 84.318 2.134 0.665 1.00 0.00 H new ATOM 0 HB VAL A 13 84.307 3.325 -1.537 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.515 1.608 -2.869 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.999 1.550 -1.157 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.871 0.335 -1.805 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.205 2.275 -3.499 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.546 1.001 -2.445 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.017 2.688 -2.239 1.00 0.00 H new ATOM 200 N SER A 14 82.641 4.026 0.850 1.00 0.00 N ATOM 201 CA SER A 14 81.559 5.004 1.165 1.00 0.00 C ATOM 202 C SER A 14 81.779 6.285 0.366 1.00 0.00 C ATOM 203 O SER A 14 82.900 6.726 0.192 1.00 0.00 O ATOM 204 CB SER A 14 81.683 5.273 2.664 1.00 0.00 C ATOM 205 OG SER A 14 80.847 6.367 3.015 1.00 0.00 O ATOM 0 H SER A 14 83.585 4.346 1.065 1.00 0.00 H new ATOM 0 HA SER A 14 80.568 4.629 0.908 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.397 4.386 3.229 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.719 5.495 2.921 1.00 0.00 H new ATOM 0 HG SER A 14 80.923 6.541 3.976 1.00 0.00 H new ATOM 211 N ILE A 15 80.719 6.881 -0.120 1.00 0.00 N ATOM 212 CA ILE A 15 80.870 8.056 -1.032 1.00 0.00 C ATOM 213 C ILE A 15 80.106 9.252 -0.471 1.00 0.00 C ATOM 214 O ILE A 15 78.913 9.175 -0.230 1.00 0.00 O ATOM 215 CB ILE A 15 80.262 7.634 -2.387 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.784 6.252 -2.848 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.630 8.680 -3.444 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.316 6.216 -2.851 1.00 0.00 C ATOM 0 H ILE A 15 79.757 6.605 0.075 1.00 0.00 H new ATOM 0 HA ILE A 15 81.916 8.345 -1.137 1.00 0.00 H new ATOM 0 HB ILE A 15 79.181 7.564 -2.264 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.400 5.475 -2.187 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.410 6.033 -3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.205 8.391 -4.405 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.233 9.651 -3.149 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.715 8.743 -3.531 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.656 5.234 -3.179 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.697 6.978 -3.532 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.686 6.411 -1.845 1.00 0.00 H new ATOM 230 N ALA A 16 80.784 10.353 -0.264 1.00 0.00 N ATOM 231 CA ALA A 16 80.090 11.599 0.168 1.00 0.00 C ATOM 232 C ALA A 16 79.863 12.498 -1.046 1.00 0.00 C ATOM 233 O ALA A 16 80.796 13.051 -1.599 1.00 0.00 O ATOM 234 CB ALA A 16 81.043 12.262 1.162 1.00 0.00 C ATOM 0 H ALA A 16 81.794 10.440 -0.377 1.00 0.00 H new ATOM 0 HA ALA A 16 79.116 11.406 0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.601 13.189 1.527 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.219 11.589 2.001 1.00 0.00 H new ATOM 0 HB3 ALA A 16 81.990 12.481 0.668 1.00 0.00 H new ATOM 240 N CYS A 17 78.632 12.640 -1.461 1.00 0.00 N ATOM 241 CA CYS A 17 78.314 13.506 -2.636 1.00 0.00 C ATOM 242 C CYS A 17 77.861 14.884 -2.152 1.00 0.00 C ATOM 243 O CYS A 17 77.571 15.070 -0.984 1.00 0.00 O ATOM 244 CB CYS A 17 77.175 12.802 -3.383 1.00 0.00 C ATOM 245 SG CYS A 17 77.676 11.128 -3.872 1.00 0.00 S ATOM 0 H CYS A 17 77.824 12.188 -1.032 1.00 0.00 H new ATOM 0 HA CYS A 17 79.180 13.650 -3.282 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.291 12.752 -2.747 1.00 0.00 H new ATOM 0 HB3 CYS A 17 76.900 13.379 -4.266 1.00 0.00 H new ATOM 0 HG CYS A 17 76.697 10.548 -4.501 1.00 0.00 H new ATOM 251 N ASP A 18 77.797 15.848 -3.037 1.00 0.00 N ATOM 252 CA ASP A 18 77.420 17.237 -2.617 1.00 0.00 C ATOM 253 C ASP A 18 76.019 17.237 -1.986 1.00 0.00 C ATOM 254 O ASP A 18 75.339 16.229 -1.962 1.00 0.00 O ATOM 255 CB ASP A 18 77.455 18.086 -3.897 1.00 0.00 C ATOM 256 CG ASP A 18 76.517 17.503 -4.969 1.00 0.00 C ATOM 257 OD1 ASP A 18 75.693 16.664 -4.638 1.00 0.00 O ATOM 258 OD2 ASP A 18 76.642 17.914 -6.111 1.00 0.00 O ATOM 0 H ASP A 18 77.989 15.735 -4.032 1.00 0.00 H new ATOM 0 HA ASP A 18 78.101 17.637 -1.866 1.00 0.00 H new ATOM 0 HB2 ASP A 18 77.159 19.110 -3.667 1.00 0.00 H new ATOM 0 HB3 ASP A 18 78.474 18.127 -4.283 1.00 0.00 H new ATOM 263 N GLU A 19 75.591 18.365 -1.479 1.00 0.00 N ATOM 264 CA GLU A 19 74.391 18.388 -0.575 1.00 0.00 C ATOM 265 C GLU A 19 73.166 17.748 -1.242 1.00 0.00 C ATOM 266 O GLU A 19 72.378 17.089 -0.588 1.00 0.00 O ATOM 267 CB GLU A 19 74.124 19.869 -0.297 1.00 0.00 C ATOM 268 CG GLU A 19 75.298 20.464 0.492 1.00 0.00 C ATOM 269 CD GLU A 19 75.017 21.934 0.844 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.168 22.538 0.204 1.00 0.00 O ATOM 271 OE2 GLU A 19 75.659 22.431 1.754 1.00 0.00 O ATOM 0 H GLU A 19 76.019 19.275 -1.650 1.00 0.00 H new ATOM 0 HA GLU A 19 74.576 17.818 0.335 1.00 0.00 H new ATOM 0 HB2 GLU A 19 73.993 20.408 -1.235 1.00 0.00 H new ATOM 0 HB3 GLU A 19 73.199 19.982 0.268 1.00 0.00 H new ATOM 0 HG2 GLU A 19 75.460 19.890 1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 19 76.213 20.393 -0.096 1.00 0.00 H new ATOM 278 N VAL A 20 73.000 17.935 -2.529 1.00 0.00 N ATOM 279 CA VAL A 20 71.760 17.436 -3.208 1.00 0.00 C ATOM 280 C VAL A 20 71.822 15.911 -3.384 1.00 0.00 C ATOM 281 O VAL A 20 70.801 15.251 -3.472 1.00 0.00 O ATOM 282 CB VAL A 20 71.732 18.146 -4.569 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.499 17.705 -5.365 1.00 0.00 C ATOM 284 CG2 VAL A 20 71.675 19.662 -4.356 1.00 0.00 C ATOM 0 H VAL A 20 73.666 18.410 -3.138 1.00 0.00 H new ATOM 0 HA VAL A 20 70.861 17.645 -2.628 1.00 0.00 H new ATOM 0 HB VAL A 20 72.633 17.884 -5.123 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.487 18.214 -6.329 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.535 16.627 -5.524 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.597 17.960 -4.809 1.00 0.00 H new ATOM 0 HG21 VAL A 20 71.655 20.165 -5.323 1.00 0.00 H new ATOM 0 HG22 VAL A 20 70.775 19.917 -3.796 1.00 0.00 H new ATOM 0 HG23 VAL A 20 72.554 19.984 -3.797 1.00 0.00 H new ATOM 294 N LEU A 21 73.006 15.353 -3.436 1.00 0.00 N ATOM 295 CA LEU A 21 73.145 13.876 -3.618 1.00 0.00 C ATOM 296 C LEU A 21 73.192 13.142 -2.268 1.00 0.00 C ATOM 297 O LEU A 21 72.978 11.946 -2.204 1.00 0.00 O ATOM 298 CB LEU A 21 74.466 13.717 -4.363 1.00 0.00 C ATOM 299 CG LEU A 21 74.327 14.263 -5.786 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.687 14.215 -6.486 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.326 13.407 -6.569 1.00 0.00 C ATOM 0 H LEU A 21 73.887 15.861 -3.360 1.00 0.00 H new ATOM 0 HA LEU A 21 72.299 13.448 -4.156 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.258 14.249 -3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.753 12.666 -4.393 1.00 0.00 H new ATOM 0 HG LEU A 21 73.972 15.293 -5.744 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.588 14.604 -7.500 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.403 14.823 -5.932 1.00 0.00 H new ATOM 0 HD13 LEU A 21 76.040 13.184 -6.525 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.228 13.797 -7.582 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.681 12.377 -6.609 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.356 13.437 -6.073 1.00 0.00 H new ATOM 313 N GLY A 22 73.468 13.846 -1.192 1.00 0.00 N ATOM 314 CA GLY A 22 73.559 13.185 0.147 1.00 0.00 C ATOM 315 C GLY A 22 74.720 12.185 0.161 1.00 0.00 C ATOM 316 O GLY A 22 75.720 12.373 -0.508 1.00 0.00 O ATOM 0 H GLY A 22 73.634 14.852 -1.187 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.706 13.936 0.923 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.624 12.672 0.373 1.00 0.00 H new ATOM 320 N VAL A 23 74.593 11.123 0.921 1.00 0.00 N ATOM 321 CA VAL A 23 75.716 10.135 1.039 1.00 0.00 C ATOM 322 C VAL A 23 75.187 8.717 0.841 1.00 0.00 C ATOM 323 O VAL A 23 74.104 8.388 1.294 1.00 0.00 O ATOM 324 CB VAL A 23 76.267 10.283 2.463 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.500 9.384 2.629 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.662 11.740 2.731 1.00 0.00 C ATOM 0 H VAL A 23 73.761 10.897 1.465 1.00 0.00 H new ATOM 0 HA VAL A 23 76.484 10.317 0.287 1.00 0.00 H new ATOM 0 HB VAL A 23 75.495 9.988 3.173 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.893 9.488 3.640 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.219 8.345 2.454 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.265 9.679 1.911 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.051 11.831 3.745 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.429 12.046 2.019 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.787 12.381 2.620 1.00 0.00 H new ATOM 336 N PHE A 24 75.941 7.877 0.175 1.00 0.00 N ATOM 337 CA PHE A 24 75.560 6.435 0.096 1.00 0.00 C ATOM 338 C PHE A 24 76.780 5.546 0.362 1.00 0.00 C ATOM 339 O PHE A 24 77.909 5.969 0.224 1.00 0.00 O ATOM 340 CB PHE A 24 75.014 6.205 -1.322 1.00 0.00 C ATOM 341 CG PHE A 24 76.053 6.294 -2.421 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.778 5.116 -2.802 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.330 7.546 -3.068 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.773 5.186 -3.832 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.328 7.613 -4.097 1.00 0.00 C ATOM 346 CZ PHE A 24 78.048 6.435 -4.479 1.00 0.00 C ATOM 0 H PHE A 24 76.800 8.127 -0.315 1.00 0.00 H new ATOM 0 HA PHE A 24 74.811 6.181 0.846 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.546 5.221 -1.362 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.232 6.938 -1.519 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.574 4.175 -2.312 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.788 8.435 -2.781 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.315 4.298 -4.120 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.537 8.554 -4.585 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.798 6.488 -5.254 1.00 0.00 H new ATOM 356 N GLN A 25 76.545 4.320 0.742 1.00 0.00 N ATOM 357 CA GLN A 25 77.663 3.348 0.930 1.00 0.00 C ATOM 358 C GLN A 25 77.257 1.995 0.343 1.00 0.00 C ATOM 359 O GLN A 25 76.105 1.611 0.413 1.00 0.00 O ATOM 360 CB GLN A 25 77.857 3.255 2.445 1.00 0.00 C ATOM 361 CG GLN A 25 78.263 4.629 2.987 1.00 0.00 C ATOM 362 CD GLN A 25 78.440 4.566 4.508 1.00 0.00 C ATOM 363 OE1 GLN A 25 78.521 3.498 5.084 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.500 5.679 5.188 1.00 0.00 N ATOM 0 H GLN A 25 75.616 3.945 0.933 1.00 0.00 H new ATOM 0 HA GLN A 25 78.583 3.653 0.432 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.935 2.921 2.922 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.624 2.517 2.681 1.00 0.00 H new ATOM 0 HG2 GLN A 25 79.192 4.953 2.518 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.503 5.368 2.732 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.432 6.575 4.706 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.615 5.652 6.201 1.00 0.00 H new ATOM 373 N GLY A 26 78.188 1.275 -0.233 1.00 0.00 N ATOM 374 CA GLY A 26 77.823 0.017 -0.954 1.00 0.00 C ATOM 375 C GLY A 26 79.083 -0.687 -1.454 1.00 0.00 C ATOM 376 O GLY A 26 80.169 -0.137 -1.417 1.00 0.00 O ATOM 0 H GLY A 26 79.182 1.503 -0.235 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.267 -0.644 -0.289 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.168 0.247 -1.794 1.00 0.00 H new ATOM 380 N LEU A 27 78.940 -1.904 -1.917 1.00 0.00 N ATOM 381 CA LEU A 27 80.096 -2.616 -2.538 1.00 0.00 C ATOM 382 C LEU A 27 80.138 -2.331 -4.039 1.00 0.00 C ATOM 383 O LEU A 27 79.127 -2.360 -4.717 1.00 0.00 O ATOM 384 CB LEU A 27 79.841 -4.101 -2.277 1.00 0.00 C ATOM 385 CG LEU A 27 79.915 -4.378 -0.774 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.340 -5.766 -0.483 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.379 -4.327 -0.317 1.00 0.00 C ATOM 0 H LEU A 27 78.070 -2.435 -1.891 1.00 0.00 H new ATOM 0 HA LEU A 27 81.052 -2.294 -2.124 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.862 -4.385 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.579 -4.705 -2.805 1.00 0.00 H new ATOM 0 HG LEU A 27 79.339 -3.625 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.392 -5.964 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.301 -5.805 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 27 79.917 -6.519 -1.020 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.433 -4.524 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 27 81.954 -5.081 -0.854 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.791 -3.340 -0.525 1.00 0.00 H new ATOM 399 N ILE A 28 81.306 -2.058 -4.553 1.00 0.00 N ATOM 400 CA ILE A 28 81.440 -1.709 -6.002 1.00 0.00 C ATOM 401 C ILE A 28 81.106 -2.922 -6.878 1.00 0.00 C ATOM 402 O ILE A 28 81.508 -4.033 -6.595 1.00 0.00 O ATOM 403 CB ILE A 28 82.912 -1.294 -6.176 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.197 -0.065 -5.299 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.208 -0.961 -7.648 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.686 0.286 -5.368 1.00 0.00 C ATOM 0 H ILE A 28 82.182 -2.061 -4.030 1.00 0.00 H new ATOM 0 HA ILE A 28 80.757 -0.914 -6.301 1.00 0.00 H new ATOM 0 HB ILE A 28 83.553 -2.122 -5.873 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.598 0.781 -5.637 1.00 0.00 H new ATOM 0 HG13 ILE A 28 82.909 -0.268 -4.268 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.253 -0.670 -7.752 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.012 -1.837 -8.266 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.569 -0.139 -7.971 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.884 1.158 -4.745 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.276 -0.558 -5.009 1.00 0.00 H new ATOM 0 HD13 ILE A 28 84.960 0.508 -6.399 1.00 0.00 H new ATOM 418 N LYS A 29 80.367 -2.706 -7.936 1.00 0.00 N ATOM 419 CA LYS A 29 80.145 -3.788 -8.941 1.00 0.00 C ATOM 420 C LYS A 29 80.902 -3.464 -10.233 1.00 0.00 C ATOM 421 O LYS A 29 81.323 -4.350 -10.952 1.00 0.00 O ATOM 422 CB LYS A 29 78.637 -3.805 -9.186 1.00 0.00 C ATOM 423 CG LYS A 29 78.286 -4.948 -10.139 1.00 0.00 C ATOM 424 CD LYS A 29 78.381 -6.281 -9.395 1.00 0.00 C ATOM 425 CE LYS A 29 77.957 -7.418 -10.327 1.00 0.00 C ATOM 426 NZ LYS A 29 78.794 -8.581 -9.919 1.00 0.00 N ATOM 0 H LYS A 29 79.905 -1.821 -8.148 1.00 0.00 H new ATOM 0 HA LYS A 29 80.506 -4.757 -8.595 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.106 -3.929 -8.242 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.316 -2.853 -9.609 1.00 0.00 H new ATOM 0 HG2 LYS A 29 77.279 -4.811 -10.533 1.00 0.00 H new ATOM 0 HG3 LYS A 29 78.965 -4.946 -10.992 1.00 0.00 H new ATOM 0 HD2 LYS A 29 79.401 -6.443 -9.047 1.00 0.00 H new ATOM 0 HD3 LYS A 29 77.742 -6.263 -8.512 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.895 -7.640 -10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 29 78.126 -7.157 -11.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 78.561 -9.402 -10.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 79.800 -8.343 -10.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 78.606 -8.811 -8.922 1.00 0.00 H new ATOM 440 N GLN A 30 81.074 -2.196 -10.528 1.00 0.00 N ATOM 441 CA GLN A 30 81.802 -1.796 -11.773 1.00 0.00 C ATOM 442 C GLN A 30 82.466 -0.434 -11.560 1.00 0.00 C ATOM 443 O GLN A 30 81.989 0.379 -10.791 1.00 0.00 O ATOM 444 CB GLN A 30 80.740 -1.704 -12.879 1.00 0.00 C ATOM 445 CG GLN A 30 80.278 -3.104 -13.311 1.00 0.00 C ATOM 446 CD GLN A 30 81.467 -3.906 -13.852 1.00 0.00 C ATOM 447 OE1 GLN A 30 82.210 -3.427 -14.685 1.00 0.00 O ATOM 448 NE2 GLN A 30 81.678 -5.116 -13.409 1.00 0.00 N ATOM 0 H GLN A 30 80.740 -1.420 -9.957 1.00 0.00 H new ATOM 0 HA GLN A 30 82.581 -2.511 -12.036 1.00 0.00 H new ATOM 0 HB2 GLN A 30 79.886 -1.129 -12.522 1.00 0.00 H new ATOM 0 HB3 GLN A 30 81.148 -1.170 -13.737 1.00 0.00 H new ATOM 0 HG2 GLN A 30 79.832 -3.626 -12.464 1.00 0.00 H new ATOM 0 HG3 GLN A 30 79.507 -3.021 -14.077 1.00 0.00 H new ATOM 0 HE21 GLN A 30 81.055 -5.519 -12.709 1.00 0.00 H new ATOM 0 HE22 GLN A 30 82.466 -5.658 -13.762 1.00 0.00 H new ATOM 457 N ILE A 31 83.561 -0.179 -12.237 1.00 0.00 N ATOM 458 CA ILE A 31 84.272 1.126 -12.062 1.00 0.00 C ATOM 459 C ILE A 31 84.781 1.630 -13.414 1.00 0.00 C ATOM 460 O ILE A 31 85.277 0.871 -14.227 1.00 0.00 O ATOM 461 CB ILE A 31 85.440 0.852 -11.102 1.00 0.00 C ATOM 462 CG1 ILE A 31 84.898 0.301 -9.772 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.205 2.160 -10.839 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.053 -0.016 -8.814 1.00 0.00 C ATOM 0 H ILE A 31 83.992 -0.819 -12.903 1.00 0.00 H new ATOM 0 HA ILE A 31 83.613 1.896 -11.661 1.00 0.00 H new ATOM 0 HB ILE A 31 86.112 0.120 -11.551 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.228 1.029 -9.315 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.312 -0.600 -9.956 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.034 1.966 -10.158 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.592 2.550 -11.780 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.532 2.892 -10.392 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.653 -0.405 -7.878 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.707 -0.761 -9.267 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.621 0.893 -8.616 1.00 0.00 H new ATOM 476 N SER A 32 84.658 2.911 -13.650 1.00 0.00 N ATOM 477 CA SER A 32 85.245 3.521 -14.878 1.00 0.00 C ATOM 478 C SER A 32 85.705 4.945 -14.568 1.00 0.00 C ATOM 479 O SER A 32 85.235 5.564 -13.633 1.00 0.00 O ATOM 480 CB SER A 32 84.116 3.531 -15.907 1.00 0.00 C ATOM 481 OG SER A 32 83.086 4.405 -15.466 1.00 0.00 O ATOM 0 H SER A 32 84.171 3.565 -13.038 1.00 0.00 H new ATOM 0 HA SER A 32 86.111 2.970 -15.245 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.495 3.856 -16.876 1.00 0.00 H new ATOM 0 HB3 SER A 32 83.721 2.524 -16.041 1.00 0.00 H new ATOM 0 HG SER A 32 82.251 4.186 -15.929 1.00 0.00 H new ATOM 487 N ALA A 33 86.611 5.472 -15.352 1.00 0.00 N ATOM 488 CA ALA A 33 87.257 6.780 -14.999 1.00 0.00 C ATOM 489 C ALA A 33 86.208 7.882 -14.787 1.00 0.00 C ATOM 490 O ALA A 33 86.460 8.855 -14.100 1.00 0.00 O ATOM 491 CB ALA A 33 88.152 7.124 -16.193 1.00 0.00 C ATOM 0 H ALA A 33 86.934 5.054 -16.225 1.00 0.00 H new ATOM 0 HA ALA A 33 87.819 6.705 -14.068 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.659 8.071 -16.007 1.00 0.00 H new ATOM 0 HB2 ALA A 33 88.893 6.337 -16.331 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.542 7.210 -17.092 1.00 0.00 H new ATOM 497 N GLU A 34 85.041 7.738 -15.370 1.00 0.00 N ATOM 498 CA GLU A 34 84.027 8.838 -15.313 1.00 0.00 C ATOM 499 C GLU A 34 83.079 8.657 -14.119 1.00 0.00 C ATOM 500 O GLU A 34 82.522 9.618 -13.620 1.00 0.00 O ATOM 501 CB GLU A 34 83.259 8.739 -16.631 1.00 0.00 C ATOM 502 CG GLU A 34 84.212 9.008 -17.800 1.00 0.00 C ATOM 503 CD GLU A 34 83.447 8.983 -19.134 1.00 0.00 C ATOM 504 OE1 GLU A 34 82.355 8.434 -19.172 1.00 0.00 O ATOM 505 OE2 GLU A 34 83.969 9.519 -20.097 1.00 0.00 O ATOM 0 H GLU A 34 84.748 6.906 -15.882 1.00 0.00 H new ATOM 0 HA GLU A 34 84.497 9.813 -15.183 1.00 0.00 H new ATOM 0 HB2 GLU A 34 82.814 7.749 -16.731 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.441 9.459 -16.642 1.00 0.00 H new ATOM 0 HG2 GLU A 34 84.694 9.977 -17.668 1.00 0.00 H new ATOM 0 HG3 GLU A 34 85.002 8.258 -17.813 1.00 0.00 H new ATOM 512 N GLU A 35 82.891 7.441 -13.659 1.00 0.00 N ATOM 513 CA GLU A 35 81.844 7.184 -12.620 1.00 0.00 C ATOM 514 C GLU A 35 82.160 5.911 -11.821 1.00 0.00 C ATOM 515 O GLU A 35 82.892 5.050 -12.269 1.00 0.00 O ATOM 516 CB GLU A 35 80.532 7.033 -13.400 1.00 0.00 C ATOM 517 CG GLU A 35 80.639 5.866 -14.389 1.00 0.00 C ATOM 518 CD GLU A 35 79.379 5.812 -15.259 1.00 0.00 C ATOM 519 OE1 GLU A 35 78.834 6.864 -15.545 1.00 0.00 O ATOM 520 OE2 GLU A 35 78.983 4.717 -15.623 1.00 0.00 O ATOM 0 H GLU A 35 83.416 6.619 -13.958 1.00 0.00 H new ATOM 0 HA GLU A 35 81.791 7.992 -11.890 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.707 6.860 -12.709 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.310 7.956 -13.937 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.522 5.988 -15.017 1.00 0.00 H new ATOM 0 HG3 GLU A 35 80.760 4.928 -13.848 1.00 0.00 H new ATOM 527 N ILE A 36 81.607 5.800 -10.639 1.00 0.00 N ATOM 528 CA ILE A 36 81.724 4.528 -9.857 1.00 0.00 C ATOM 529 C ILE A 36 80.340 3.883 -9.718 1.00 0.00 C ATOM 530 O ILE A 36 79.355 4.570 -9.514 1.00 0.00 O ATOM 531 CB ILE A 36 82.260 4.943 -8.478 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.585 5.719 -8.619 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.490 3.693 -7.624 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.636 4.866 -9.342 1.00 0.00 C ATOM 0 H ILE A 36 81.076 6.539 -10.179 1.00 0.00 H new ATOM 0 HA ILE A 36 82.379 3.803 -10.340 1.00 0.00 H new ATOM 0 HB ILE A 36 81.526 5.591 -7.999 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.415 6.642 -9.173 1.00 0.00 H new ATOM 0 HG13 ILE A 36 83.954 6.002 -7.633 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.870 3.986 -6.645 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.549 3.157 -7.502 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.215 3.045 -8.116 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.564 5.431 -9.432 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.820 3.955 -8.773 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.272 4.606 -10.336 1.00 0.00 H new ATOM 546 N THR A 37 80.257 2.575 -9.824 1.00 0.00 N ATOM 547 CA THR A 37 78.925 1.896 -9.756 1.00 0.00 C ATOM 548 C THR A 37 78.911 0.854 -8.631 1.00 0.00 C ATOM 549 O THR A 37 79.808 0.038 -8.523 1.00 0.00 O ATOM 550 CB THR A 37 78.762 1.214 -11.116 1.00 0.00 C ATOM 551 OG1 THR A 37 78.905 2.179 -12.148 1.00 0.00 O ATOM 552 CG2 THR A 37 77.378 0.570 -11.204 1.00 0.00 C ATOM 0 H THR A 37 81.054 1.952 -9.954 1.00 0.00 H new ATOM 0 HA THR A 37 78.117 2.597 -9.547 1.00 0.00 H new ATOM 0 HB THR A 37 79.525 0.444 -11.230 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.803 1.743 -13.020 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.263 0.085 -12.173 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.271 -0.171 -10.412 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.612 1.337 -11.089 1.00 0.00 H new ATOM 560 N ILE A 38 77.895 0.877 -7.799 1.00 0.00 N ATOM 561 CA ILE A 38 77.819 -0.091 -6.655 1.00 0.00 C ATOM 562 C ILE A 38 76.433 -0.745 -6.605 1.00 0.00 C ATOM 563 O ILE A 38 75.515 -0.324 -7.284 1.00 0.00 O ATOM 564 CB ILE A 38 78.065 0.730 -5.381 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.047 1.874 -5.291 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.482 1.308 -5.394 1.00 0.00 C ATOM 567 CD1 ILE A 38 76.768 2.198 -3.825 1.00 0.00 C ATOM 0 H ILE A 38 77.112 1.527 -7.863 1.00 0.00 H new ATOM 0 HA ILE A 38 78.554 -0.889 -6.761 1.00 0.00 H new ATOM 0 HB ILE A 38 77.952 0.077 -4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.431 2.757 -5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.122 1.592 -5.794 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.646 1.889 -4.486 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.206 0.495 -5.441 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.604 1.953 -6.264 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.045 3.011 -3.763 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.365 1.316 -3.328 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.695 2.499 -3.336 1.00 0.00 H new ATOM 579 N VAL A 39 76.281 -1.768 -5.798 1.00 0.00 N ATOM 580 CA VAL A 39 74.971 -2.497 -5.732 1.00 0.00 C ATOM 581 C VAL A 39 74.487 -2.609 -4.280 1.00 0.00 C ATOM 582 O VAL A 39 75.244 -2.427 -3.348 1.00 0.00 O ATOM 583 CB VAL A 39 75.240 -3.884 -6.327 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.682 -3.734 -7.783 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.345 -4.592 -5.533 1.00 0.00 C ATOM 0 H VAL A 39 77.007 -2.131 -5.181 1.00 0.00 H new ATOM 0 HA VAL A 39 74.189 -1.972 -6.280 1.00 0.00 H new ATOM 0 HB VAL A 39 74.327 -4.477 -6.276 1.00 0.00 H new ATOM 0 HG11 VAL A 39 75.874 -4.719 -8.208 1.00 0.00 H new ATOM 0 HG12 VAL A 39 74.895 -3.240 -8.353 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.592 -3.136 -7.827 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.529 -5.576 -5.963 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.260 -4.001 -5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.033 -4.703 -4.495 1.00 0.00 H new ATOM 595 N ARG A 40 73.218 -2.910 -4.086 1.00 0.00 N ATOM 596 CA ARG A 40 72.625 -2.930 -2.701 1.00 0.00 C ATOM 597 C ARG A 40 72.936 -1.627 -1.953 1.00 0.00 C ATOM 598 O ARG A 40 73.405 -1.639 -0.830 1.00 0.00 O ATOM 599 CB ARG A 40 73.275 -4.130 -2.008 1.00 0.00 C ATOM 600 CG ARG A 40 72.786 -5.430 -2.665 1.00 0.00 C ATOM 601 CD ARG A 40 73.961 -6.393 -2.841 1.00 0.00 C ATOM 602 NE ARG A 40 73.347 -7.668 -3.329 1.00 0.00 N ATOM 603 CZ ARG A 40 72.646 -8.455 -2.530 1.00 0.00 C ATOM 604 NH1 ARG A 40 72.448 -8.162 -1.262 1.00 0.00 N ATOM 605 NH2 ARG A 40 72.134 -9.552 -3.012 1.00 0.00 N ATOM 0 H ARG A 40 72.564 -3.144 -4.832 1.00 0.00 H new ATOM 0 HA ARG A 40 71.538 -3.014 -2.723 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.360 -4.060 -2.079 1.00 0.00 H new ATOM 0 HB3 ARG A 40 73.025 -4.130 -0.947 1.00 0.00 H new ATOM 0 HG2 ARG A 40 72.014 -5.892 -2.049 1.00 0.00 H new ATOM 0 HG3 ARG A 40 72.334 -5.212 -3.633 1.00 0.00 H new ATOM 0 HD2 ARG A 40 74.686 -6.005 -3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 40 74.491 -6.545 -1.901 1.00 0.00 H new ATOM 0 HE ARG A 40 73.473 -7.937 -4.305 1.00 0.00 H new ATOM 0 HH11 ARG A 40 72.840 -7.306 -0.869 1.00 0.00 H new ATOM 0 HH12 ARG A 40 71.902 -8.791 -0.672 1.00 0.00 H new ATOM 0 HH21 ARG A 40 72.276 -9.793 -3.993 1.00 0.00 H new ATOM 0 HH22 ARG A 40 71.591 -10.169 -2.409 1.00 0.00 H new ATOM 619 N ALA A 41 72.672 -0.510 -2.580 1.00 0.00 N ATOM 620 CA ALA A 41 73.112 0.804 -2.013 1.00 0.00 C ATOM 621 C ALA A 41 72.355 1.147 -0.723 1.00 0.00 C ATOM 622 O ALA A 41 71.167 0.904 -0.587 1.00 0.00 O ATOM 623 CB ALA A 41 72.801 1.836 -3.099 1.00 0.00 C ATOM 0 H ALA A 41 72.168 -0.449 -3.465 1.00 0.00 H new ATOM 0 HA ALA A 41 74.169 0.782 -1.748 1.00 0.00 H new ATOM 0 HB1 ALA A 41 73.097 2.827 -2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 41 73.352 1.587 -4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 41 71.732 1.830 -3.311 1.00 0.00 H new ATOM 629 N PHE A 42 73.052 1.718 0.220 1.00 0.00 N ATOM 630 CA PHE A 42 72.388 2.315 1.414 1.00 0.00 C ATOM 631 C PHE A 42 72.593 3.831 1.389 1.00 0.00 C ATOM 632 O PHE A 42 73.671 4.301 1.087 1.00 0.00 O ATOM 633 CB PHE A 42 73.093 1.696 2.626 1.00 0.00 C ATOM 634 CG PHE A 42 72.462 0.413 3.129 1.00 0.00 C ATOM 635 CD1 PHE A 42 72.680 -0.835 2.446 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.644 0.446 4.308 1.00 0.00 C ATOM 637 CE1 PHE A 42 72.079 -2.040 2.943 1.00 0.00 C ATOM 638 CE2 PHE A 42 71.046 -0.759 4.804 1.00 0.00 C ATOM 639 CZ PHE A 42 71.262 -2.002 4.121 1.00 0.00 C ATOM 0 H PHE A 42 74.069 1.798 0.214 1.00 0.00 H new ATOM 0 HA PHE A 42 71.315 2.122 1.441 1.00 0.00 H new ATOM 0 HB2 PHE A 42 74.132 1.497 2.364 1.00 0.00 H new ATOM 0 HB3 PHE A 42 73.102 2.424 3.437 1.00 0.00 H new ATOM 0 HD1 PHE A 42 73.296 -0.865 1.559 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.479 1.381 4.823 1.00 0.00 H new ATOM 0 HE1 PHE A 42 72.242 -2.976 2.429 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.433 -0.731 5.692 1.00 0.00 H new ATOM 0 HZ PHE A 42 70.809 -2.909 4.494 1.00 0.00 H new ATOM 649 N ARG A 43 71.575 4.593 1.703 1.00 0.00 N ATOM 650 CA ARG A 43 71.689 6.082 1.613 1.00 0.00 C ATOM 651 C ARG A 43 71.097 6.733 2.864 1.00 0.00 C ATOM 652 O ARG A 43 70.100 6.281 3.391 1.00 0.00 O ATOM 653 CB ARG A 43 70.878 6.466 0.375 1.00 0.00 C ATOM 654 CG ARG A 43 71.029 7.965 0.109 1.00 0.00 C ATOM 655 CD ARG A 43 70.220 8.348 -1.133 1.00 0.00 C ATOM 656 NE ARG A 43 68.786 8.209 -0.726 1.00 0.00 N ATOM 657 CZ ARG A 43 67.820 8.056 -1.616 1.00 0.00 C ATOM 658 NH1 ARG A 43 68.062 8.021 -2.909 1.00 0.00 N ATOM 659 NH2 ARG A 43 66.589 7.939 -1.199 1.00 0.00 N ATOM 0 H ARG A 43 70.668 4.248 2.018 1.00 0.00 H new ATOM 0 HA ARG A 43 72.725 6.414 1.542 1.00 0.00 H new ATOM 0 HB2 ARG A 43 71.222 5.896 -0.489 1.00 0.00 H new ATOM 0 HB3 ARG A 43 69.827 6.217 0.524 1.00 0.00 H new ATOM 0 HG2 ARG A 43 70.683 8.535 0.971 1.00 0.00 H new ATOM 0 HG3 ARG A 43 72.080 8.215 -0.037 1.00 0.00 H new ATOM 0 HD2 ARG A 43 70.443 9.367 -1.449 1.00 0.00 H new ATOM 0 HD3 ARG A 43 70.456 7.695 -1.973 1.00 0.00 H new ATOM 0 HE ARG A 43 68.547 8.233 0.265 1.00 0.00 H new ATOM 0 HH11 ARG A 43 69.018 8.113 -3.252 1.00 0.00 H new ATOM 0 HH12 ARG A 43 67.293 7.902 -3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 43 66.384 7.966 -0.200 1.00 0.00 H new ATOM 0 HH22 ARG A 43 65.832 7.820 -1.872 1.00 0.00 H new ATOM 673 N ASN A 44 71.709 7.790 3.346 1.00 0.00 N ATOM 674 CA ASN A 44 71.179 8.502 4.562 1.00 0.00 C ATOM 675 C ASN A 44 70.962 7.522 5.727 1.00 0.00 C ATOM 676 O ASN A 44 69.978 7.601 6.440 1.00 0.00 O ATOM 677 CB ASN A 44 69.846 9.126 4.129 1.00 0.00 C ATOM 678 CG ASN A 44 70.076 10.082 2.956 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.341 10.062 1.988 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.074 10.925 2.998 1.00 0.00 N ATOM 0 H ASN A 44 72.557 8.195 2.950 1.00 0.00 H new ATOM 0 HA ASN A 44 71.883 9.255 4.918 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.145 8.343 3.840 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.397 9.663 4.965 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.235 11.564 2.220 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.692 10.944 3.809 1.00 0.00 H new ATOM 687 N GLY A 45 71.876 6.603 5.918 1.00 0.00 N ATOM 688 CA GLY A 45 71.790 5.670 7.085 1.00 0.00 C ATOM 689 C GLY A 45 70.517 4.815 7.014 1.00 0.00 C ATOM 690 O GLY A 45 70.058 4.305 8.020 1.00 0.00 O ATOM 0 H GLY A 45 72.683 6.458 5.312 1.00 0.00 H new ATOM 0 HA2 GLY A 45 72.667 5.022 7.103 1.00 0.00 H new ATOM 0 HA3 GLY A 45 71.797 6.241 8.013 1.00 0.00 H new ATOM 694 N VAL A 46 69.944 4.656 5.843 1.00 0.00 N ATOM 695 CA VAL A 46 68.777 3.733 5.690 1.00 0.00 C ATOM 696 C VAL A 46 68.855 3.018 4.323 1.00 0.00 C ATOM 697 O VAL A 46 69.409 3.560 3.390 1.00 0.00 O ATOM 698 CB VAL A 46 67.544 4.646 5.791 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.261 3.861 5.489 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.460 5.200 7.211 1.00 0.00 C ATOM 0 H VAL A 46 70.236 5.127 4.987 1.00 0.00 H new ATOM 0 HA VAL A 46 68.747 2.946 6.444 1.00 0.00 H new ATOM 0 HB VAL A 46 67.641 5.453 5.065 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.401 4.526 5.566 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.314 3.452 4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.155 3.047 6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 46 66.589 5.850 7.297 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.369 4.376 7.918 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.362 5.770 7.433 1.00 0.00 H new ATOM 710 N PRO A 47 68.302 1.820 4.237 1.00 0.00 N ATOM 711 CA PRO A 47 68.438 1.024 2.992 1.00 0.00 C ATOM 712 C PRO A 47 67.540 1.604 1.894 1.00 0.00 C ATOM 713 O PRO A 47 66.491 2.155 2.175 1.00 0.00 O ATOM 714 CB PRO A 47 67.976 -0.387 3.385 1.00 0.00 C ATOM 715 CG PRO A 47 67.660 -0.341 4.852 1.00 0.00 C ATOM 716 CD PRO A 47 67.512 1.101 5.246 1.00 0.00 C ATOM 0 HA PRO A 47 69.455 1.028 2.599 1.00 0.00 H new ATOM 0 HB2 PRO A 47 67.099 -0.682 2.809 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.755 -1.121 3.179 1.00 0.00 H new ATOM 0 HG2 PRO A 47 66.742 -0.890 5.062 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.454 -0.815 5.429 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.468 1.414 5.235 1.00 0.00 H new ATOM 0 HD3 PRO A 47 67.888 1.282 6.253 1.00 0.00 H new ATOM 724 N LEU A 48 67.942 1.484 0.648 1.00 0.00 N ATOM 725 CA LEU A 48 67.038 1.892 -0.473 1.00 0.00 C ATOM 726 C LEU A 48 65.965 0.822 -0.692 1.00 0.00 C ATOM 727 O LEU A 48 66.199 -0.353 -0.483 1.00 0.00 O ATOM 728 CB LEU A 48 67.939 2.014 -1.705 1.00 0.00 C ATOM 729 CG LEU A 48 69.030 3.062 -1.456 1.00 0.00 C ATOM 730 CD1 LEU A 48 69.958 3.123 -2.668 1.00 0.00 C ATOM 731 CD2 LEU A 48 68.389 4.438 -1.244 1.00 0.00 C ATOM 0 H LEU A 48 68.852 1.123 0.362 1.00 0.00 H new ATOM 0 HA LEU A 48 66.522 2.829 -0.264 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.394 1.049 -1.929 1.00 0.00 H new ATOM 0 HB3 LEU A 48 67.344 2.296 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 48 69.598 2.786 -0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 48 70.735 3.867 -2.494 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.418 2.147 -2.823 1.00 0.00 H new ATOM 0 HD13 LEU A 48 69.384 3.398 -3.553 1.00 0.00 H new ATOM 0 HD21 LEU A 48 69.168 5.179 -1.067 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.819 4.715 -2.131 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.723 4.400 -0.382 1.00 0.00 H new ATOM 743 N ARG A 49 64.789 1.226 -1.112 1.00 0.00 N ATOM 744 CA ARG A 49 63.651 0.255 -1.238 1.00 0.00 C ATOM 745 C ARG A 49 64.024 -0.898 -2.177 1.00 0.00 C ATOM 746 O ARG A 49 63.634 -2.032 -1.959 1.00 0.00 O ATOM 747 CB ARG A 49 62.487 1.062 -1.820 1.00 0.00 C ATOM 748 CG ARG A 49 62.059 2.139 -0.820 1.00 0.00 C ATOM 749 CD ARG A 49 61.456 1.473 0.421 1.00 0.00 C ATOM 750 NE ARG A 49 60.950 2.605 1.260 1.00 0.00 N ATOM 751 CZ ARG A 49 59.803 3.209 0.999 1.00 0.00 C ATOM 752 NH1 ARG A 49 59.045 2.854 -0.016 1.00 0.00 N ATOM 753 NH2 ARG A 49 59.412 4.186 1.770 1.00 0.00 N ATOM 0 H ARG A 49 64.567 2.186 -1.373 1.00 0.00 H new ATOM 0 HA ARG A 49 63.396 -0.191 -0.277 1.00 0.00 H new ATOM 0 HB2 ARG A 49 62.786 1.523 -2.761 1.00 0.00 H new ATOM 0 HB3 ARG A 49 61.648 0.402 -2.041 1.00 0.00 H new ATOM 0 HG2 ARG A 49 62.917 2.750 -0.538 1.00 0.00 H new ATOM 0 HG3 ARG A 49 61.329 2.807 -1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 49 60.650 0.791 0.151 1.00 0.00 H new ATOM 0 HD3 ARG A 49 62.203 0.887 0.957 1.00 0.00 H new ATOM 0 HE ARG A 49 61.506 2.919 2.055 1.00 0.00 H new ATOM 0 HH11 ARG A 49 59.337 2.092 -0.629 1.00 0.00 H new ATOM 0 HH12 ARG A 49 58.165 3.340 -0.190 1.00 0.00 H new ATOM 0 HH21 ARG A 49 59.989 4.474 2.561 1.00 0.00 H new ATOM 0 HH22 ARG A 49 58.530 4.662 1.582 1.00 0.00 H new ATOM 767 N LYS A 50 64.773 -0.616 -3.216 1.00 0.00 N ATOM 768 CA LYS A 50 65.197 -1.697 -4.157 1.00 0.00 C ATOM 769 C LYS A 50 66.615 -2.167 -3.819 1.00 0.00 C ATOM 770 O LYS A 50 67.585 -1.485 -4.096 1.00 0.00 O ATOM 771 CB LYS A 50 65.160 -1.054 -5.543 1.00 0.00 C ATOM 772 CG LYS A 50 65.399 -2.125 -6.610 1.00 0.00 C ATOM 773 CD LYS A 50 64.145 -2.990 -6.754 1.00 0.00 C ATOM 774 CE LYS A 50 64.360 -4.018 -7.868 1.00 0.00 C ATOM 775 NZ LYS A 50 63.026 -4.649 -8.070 1.00 0.00 N ATOM 0 H LYS A 50 65.109 0.318 -3.452 1.00 0.00 H new ATOM 0 HA LYS A 50 64.551 -2.573 -4.098 1.00 0.00 H new ATOM 0 HB2 LYS A 50 64.196 -0.572 -5.706 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.921 -0.277 -5.616 1.00 0.00 H new ATOM 0 HG2 LYS A 50 65.642 -1.656 -7.563 1.00 0.00 H new ATOM 0 HG3 LYS A 50 66.252 -2.745 -6.334 1.00 0.00 H new ATOM 0 HD2 LYS A 50 63.930 -3.497 -5.813 1.00 0.00 H new ATOM 0 HD3 LYS A 50 63.283 -2.364 -6.983 1.00 0.00 H new ATOM 0 HE2 LYS A 50 64.714 -3.542 -8.782 1.00 0.00 H new ATOM 0 HE3 LYS A 50 65.108 -4.758 -7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 63.091 -5.367 -8.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 62.718 -5.100 -7.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 62.336 -3.921 -8.346 1.00 0.00 H new ATOM 789 N GLN A 51 66.736 -3.328 -3.223 1.00 0.00 N ATOM 790 CA GLN A 51 68.092 -3.875 -2.896 1.00 0.00 C ATOM 791 C GLN A 51 68.877 -4.141 -4.183 1.00 0.00 C ATOM 792 O GLN A 51 70.081 -3.972 -4.231 1.00 0.00 O ATOM 793 CB GLN A 51 67.835 -5.186 -2.146 1.00 0.00 C ATOM 794 CG GLN A 51 67.129 -4.888 -0.822 1.00 0.00 C ATOM 795 CD GLN A 51 66.823 -6.198 -0.091 1.00 0.00 C ATOM 796 OE1 GLN A 51 66.763 -7.250 -0.699 1.00 0.00 O ATOM 797 NE2 GLN A 51 66.627 -6.180 1.199 1.00 0.00 N ATOM 0 H GLN A 51 65.954 -3.922 -2.948 1.00 0.00 H new ATOM 0 HA GLN A 51 68.680 -3.178 -2.299 1.00 0.00 H new ATOM 0 HB2 GLN A 51 67.223 -5.851 -2.755 1.00 0.00 H new ATOM 0 HB3 GLN A 51 68.777 -5.701 -1.960 1.00 0.00 H new ATOM 0 HG2 GLN A 51 67.758 -4.252 -0.199 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.205 -4.340 -1.007 1.00 0.00 H new ATOM 0 HE21 GLN A 51 66.677 -5.299 1.710 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.424 -7.047 1.696 1.00 0.00 H new ATOM 806 N ASN A 52 68.196 -4.555 -5.223 1.00 0.00 N ATOM 807 CA ASN A 52 68.892 -4.886 -6.505 1.00 0.00 C ATOM 808 C ASN A 52 69.099 -3.635 -7.377 1.00 0.00 C ATOM 809 O ASN A 52 69.617 -3.732 -8.475 1.00 0.00 O ATOM 810 CB ASN A 52 67.962 -5.876 -7.209 1.00 0.00 C ATOM 811 CG ASN A 52 67.813 -7.140 -6.359 1.00 0.00 C ATOM 812 OD1 ASN A 52 68.650 -7.433 -5.528 1.00 0.00 O ATOM 813 ND2 ASN A 52 66.773 -7.909 -6.533 1.00 0.00 N ATOM 0 H ASN A 52 67.184 -4.678 -5.239 1.00 0.00 H new ATOM 0 HA ASN A 52 69.886 -5.296 -6.325 1.00 0.00 H new ATOM 0 HB2 ASN A 52 66.986 -5.419 -7.372 1.00 0.00 H new ATOM 0 HB3 ASN A 52 68.363 -6.131 -8.190 1.00 0.00 H new ATOM 0 HD21 ASN A 52 66.664 -8.754 -5.972 1.00 0.00 H new ATOM 0 HD22 ASN A 52 66.069 -7.665 -7.230 1.00 0.00 H new ATOM 820 N ALA A 53 68.706 -2.466 -6.909 1.00 0.00 N ATOM 821 CA ALA A 53 68.860 -1.232 -7.746 1.00 0.00 C ATOM 822 C ALA A 53 70.330 -0.810 -7.792 1.00 0.00 C ATOM 823 O ALA A 53 71.013 -0.805 -6.785 1.00 0.00 O ATOM 824 CB ALA A 53 68.014 -0.161 -7.053 1.00 0.00 C ATOM 0 H ALA A 53 68.289 -2.318 -5.990 1.00 0.00 H new ATOM 0 HA ALA A 53 68.540 -1.392 -8.776 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.079 0.772 -7.612 1.00 0.00 H new ATOM 0 HB2 ALA A 53 66.975 -0.488 -7.013 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.384 -0.004 -6.040 1.00 0.00 H new ATOM 830 N GLU A 54 70.815 -0.456 -8.957 1.00 0.00 N ATOM 831 CA GLU A 54 72.248 -0.046 -9.087 1.00 0.00 C ATOM 832 C GLU A 54 72.398 1.473 -8.909 1.00 0.00 C ATOM 833 O GLU A 54 71.605 2.247 -9.414 1.00 0.00 O ATOM 834 CB GLU A 54 72.676 -0.494 -10.501 1.00 0.00 C ATOM 835 CG GLU A 54 71.944 0.311 -11.592 1.00 0.00 C ATOM 836 CD GLU A 54 72.372 -0.182 -12.980 1.00 0.00 C ATOM 837 OE1 GLU A 54 73.478 -0.685 -13.102 1.00 0.00 O ATOM 838 OE2 GLU A 54 71.583 -0.047 -13.901 1.00 0.00 O ATOM 0 H GLU A 54 70.279 -0.433 -9.825 1.00 0.00 H new ATOM 0 HA GLU A 54 72.875 -0.502 -8.320 1.00 0.00 H new ATOM 0 HB2 GLU A 54 73.753 -0.367 -10.614 1.00 0.00 H new ATOM 0 HB3 GLU A 54 72.465 -1.556 -10.627 1.00 0.00 H new ATOM 0 HG2 GLU A 54 70.866 0.203 -11.474 1.00 0.00 H new ATOM 0 HG3 GLU A 54 72.171 1.372 -11.487 1.00 0.00 H new ATOM 845 N VAL A 55 73.411 1.895 -8.192 1.00 0.00 N ATOM 846 CA VAL A 55 73.699 3.358 -8.071 1.00 0.00 C ATOM 847 C VAL A 55 74.940 3.699 -8.897 1.00 0.00 C ATOM 848 O VAL A 55 76.004 3.154 -8.671 1.00 0.00 O ATOM 849 CB VAL A 55 73.970 3.592 -6.577 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.289 5.071 -6.326 1.00 0.00 C ATOM 851 CG2 VAL A 55 72.732 3.201 -5.766 1.00 0.00 C ATOM 0 H VAL A 55 74.053 1.287 -7.684 1.00 0.00 H new ATOM 0 HA VAL A 55 72.880 3.979 -8.433 1.00 0.00 H new ATOM 0 HB VAL A 55 74.821 2.983 -6.272 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.480 5.227 -5.264 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.172 5.355 -6.899 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.443 5.684 -6.636 1.00 0.00 H new ATOM 0 HG21 VAL A 55 72.924 3.367 -4.706 1.00 0.00 H new ATOM 0 HG22 VAL A 55 71.884 3.809 -6.081 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.505 2.148 -5.933 1.00 0.00 H new ATOM 861 N VAL A 56 74.811 4.591 -9.848 1.00 0.00 N ATOM 862 CA VAL A 56 76.003 5.018 -10.642 1.00 0.00 C ATOM 863 C VAL A 56 76.166 6.533 -10.540 1.00 0.00 C ATOM 864 O VAL A 56 75.343 7.291 -11.023 1.00 0.00 O ATOM 865 CB VAL A 56 75.732 4.597 -12.090 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.962 4.926 -12.936 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.467 3.086 -12.166 1.00 0.00 C ATOM 0 H VAL A 56 73.933 5.041 -10.108 1.00 0.00 H new ATOM 0 HA VAL A 56 76.922 4.561 -10.275 1.00 0.00 H new ATOM 0 HB VAL A 56 74.857 5.131 -12.460 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.782 4.631 -13.970 1.00 0.00 H new ATOM 0 HG12 VAL A 56 77.157 5.998 -12.893 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.825 4.384 -12.549 1.00 0.00 H new ATOM 0 HG21 VAL A 56 75.276 2.802 -13.201 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.338 2.545 -11.796 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.599 2.838 -11.555 1.00 0.00 H new ATOM 877 N LEU A 57 77.222 6.972 -9.916 1.00 0.00 N ATOM 878 CA LEU A 57 77.397 8.429 -9.648 1.00 0.00 C ATOM 879 C LEU A 57 78.773 8.900 -10.129 1.00 0.00 C ATOM 880 O LEU A 57 79.776 8.254 -9.888 1.00 0.00 O ATOM 881 CB LEU A 57 77.233 8.540 -8.134 1.00 0.00 C ATOM 882 CG LEU A 57 75.735 8.530 -7.808 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.500 7.903 -6.438 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.213 9.968 -7.787 1.00 0.00 C ATOM 0 H LEU A 57 77.979 6.379 -9.576 1.00 0.00 H new ATOM 0 HA LEU A 57 76.683 9.061 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.735 7.710 -7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.695 9.457 -7.769 1.00 0.00 H new ATOM 0 HG LEU A 57 75.212 7.949 -8.567 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.433 7.901 -6.217 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.872 6.879 -6.438 1.00 0.00 H new ATOM 0 HD13 LEU A 57 76.027 8.480 -5.678 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.148 9.965 -7.556 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.748 10.538 -7.027 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.371 10.427 -8.763 1.00 0.00 H new ATOM 896 N LYS A 58 78.820 10.019 -10.809 1.00 0.00 N ATOM 897 CA LYS A 58 80.113 10.494 -11.401 1.00 0.00 C ATOM 898 C LYS A 58 81.030 11.059 -10.314 1.00 0.00 C ATOM 899 O LYS A 58 80.590 11.750 -9.414 1.00 0.00 O ATOM 900 CB LYS A 58 79.720 11.597 -12.387 1.00 0.00 C ATOM 901 CG LYS A 58 78.880 10.998 -13.516 1.00 0.00 C ATOM 902 CD LYS A 58 78.591 12.073 -14.565 1.00 0.00 C ATOM 903 CE LYS A 58 77.651 11.507 -15.631 1.00 0.00 C ATOM 904 NZ LYS A 58 77.940 12.301 -16.858 1.00 0.00 N ATOM 0 H LYS A 58 78.019 10.626 -10.981 1.00 0.00 H new ATOM 0 HA LYS A 58 80.658 9.683 -11.885 1.00 0.00 H new ATOM 0 HB2 LYS A 58 79.155 12.375 -11.873 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.613 12.069 -12.796 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.410 10.162 -13.973 1.00 0.00 H new ATOM 0 HG3 LYS A 58 77.945 10.603 -13.118 1.00 0.00 H new ATOM 0 HD2 LYS A 58 78.139 12.945 -14.092 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.521 12.406 -15.025 1.00 0.00 H new ATOM 0 HE2 LYS A 58 77.834 10.445 -15.795 1.00 0.00 H new ATOM 0 HE3 LYS A 58 76.608 11.608 -15.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 77.333 11.971 -17.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 77.750 13.307 -16.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 78.938 12.180 -17.123 1.00 0.00 H new ATOM 918 N CYS A 59 82.307 10.765 -10.395 1.00 0.00 N ATOM 919 CA CYS A 59 83.290 11.342 -9.418 1.00 0.00 C ATOM 920 C CYS A 59 83.212 12.876 -9.404 1.00 0.00 C ATOM 921 O CYS A 59 83.436 13.507 -8.387 1.00 0.00 O ATOM 922 CB CYS A 59 84.674 10.873 -9.900 1.00 0.00 C ATOM 923 SG CYS A 59 84.988 11.441 -11.597 1.00 0.00 S ATOM 0 H CYS A 59 82.713 10.148 -11.098 1.00 0.00 H new ATOM 0 HA CYS A 59 83.083 11.012 -8.400 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.446 11.257 -9.234 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.730 9.785 -9.859 1.00 0.00 H new ATOM 0 HG CYS A 59 84.136 10.884 -12.406 1.00 0.00 H new ATOM 929 N THR A 60 82.898 13.472 -10.529 1.00 0.00 N ATOM 930 CA THR A 60 82.820 14.967 -10.601 1.00 0.00 C ATOM 931 C THR A 60 81.691 15.479 -9.701 1.00 0.00 C ATOM 932 O THR A 60 81.735 16.594 -9.214 1.00 0.00 O ATOM 933 CB THR A 60 82.524 15.295 -12.069 1.00 0.00 C ATOM 934 OG1 THR A 60 81.286 14.708 -12.444 1.00 0.00 O ATOM 935 CG2 THR A 60 83.643 14.746 -12.958 1.00 0.00 C ATOM 0 H THR A 60 82.692 12.987 -11.403 1.00 0.00 H new ATOM 0 HA THR A 60 83.742 15.439 -10.263 1.00 0.00 H new ATOM 0 HB THR A 60 82.466 16.376 -12.193 1.00 0.00 H new ATOM 0 HG1 THR A 60 81.095 14.919 -13.382 1.00 0.00 H new ATOM 0 HG21 THR A 60 83.428 14.982 -14.000 1.00 0.00 H new ATOM 0 HG22 THR A 60 84.591 15.200 -12.671 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.707 13.665 -12.836 1.00 0.00 H new ATOM 943 N ASP A 61 80.684 14.670 -9.481 1.00 0.00 N ATOM 944 CA ASP A 61 79.578 15.068 -8.556 1.00 0.00 C ATOM 945 C ASP A 61 79.908 14.640 -7.120 1.00 0.00 C ATOM 946 O ASP A 61 79.386 15.193 -6.170 1.00 0.00 O ATOM 947 CB ASP A 61 78.340 14.331 -9.071 1.00 0.00 C ATOM 948 CG ASP A 61 77.996 14.812 -10.486 1.00 0.00 C ATOM 949 OD1 ASP A 61 78.284 15.958 -10.793 1.00 0.00 O ATOM 950 OD2 ASP A 61 77.451 14.022 -11.239 1.00 0.00 O ATOM 0 H ASP A 61 80.580 13.748 -9.904 1.00 0.00 H new ATOM 0 HA ASP A 61 79.425 16.147 -8.536 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.522 13.256 -9.077 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.497 14.507 -8.403 1.00 0.00 H new ATOM 955 N ILE A 62 80.768 13.661 -6.959 1.00 0.00 N ATOM 956 CA ILE A 62 81.187 13.237 -5.585 1.00 0.00 C ATOM 957 C ILE A 62 82.265 14.189 -5.056 1.00 0.00 C ATOM 958 O ILE A 62 83.095 14.673 -5.804 1.00 0.00 O ATOM 959 CB ILE A 62 81.755 11.820 -5.755 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.678 10.898 -6.339 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.195 11.275 -4.394 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.301 9.547 -6.698 1.00 0.00 C ATOM 0 H ILE A 62 81.198 13.137 -7.721 1.00 0.00 H new ATOM 0 HA ILE A 62 80.361 13.256 -4.874 1.00 0.00 H new ATOM 0 HB ILE A 62 82.610 11.858 -6.430 1.00 0.00 H new ATOM 0 HG12 ILE A 62 79.873 10.759 -5.617 1.00 0.00 H new ATOM 0 HG13 ILE A 62 80.236 11.353 -7.225 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.598 10.270 -4.518 1.00 0.00 H new ATOM 0 HG22 ILE A 62 82.963 11.924 -3.973 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.338 11.243 -3.721 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.535 8.892 -7.113 1.00 0.00 H new ATOM 0 HD12 ILE A 62 82.090 9.695 -7.435 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.722 9.091 -5.802 1.00 0.00 H new ATOM 974 N ARG A 63 82.254 14.457 -3.773 1.00 0.00 N ATOM 975 CA ARG A 63 83.255 15.399 -3.186 1.00 0.00 C ATOM 976 C ARG A 63 84.388 14.622 -2.509 1.00 0.00 C ATOM 977 O ARG A 63 85.509 15.095 -2.439 1.00 0.00 O ATOM 978 CB ARG A 63 82.479 16.224 -2.159 1.00 0.00 C ATOM 979 CG ARG A 63 81.422 17.069 -2.874 1.00 0.00 C ATOM 980 CD ARG A 63 82.114 18.115 -3.751 1.00 0.00 C ATOM 981 NE ARG A 63 81.011 18.994 -4.255 1.00 0.00 N ATOM 982 CZ ARG A 63 81.152 19.736 -5.341 1.00 0.00 C ATOM 983 NH1 ARG A 63 82.270 19.748 -6.036 1.00 0.00 N ATOM 984 NH2 ARG A 63 80.156 20.480 -5.733 1.00 0.00 N ATOM 0 H ARG A 63 81.592 14.062 -3.105 1.00 0.00 H new ATOM 0 HA ARG A 63 83.716 16.029 -3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 63 82.003 15.565 -1.433 1.00 0.00 H new ATOM 0 HB3 ARG A 63 83.161 16.869 -1.605 1.00 0.00 H new ATOM 0 HG2 ARG A 63 80.783 16.431 -3.485 1.00 0.00 H new ATOM 0 HG3 ARG A 63 80.778 17.559 -2.144 1.00 0.00 H new ATOM 0 HD2 ARG A 63 82.844 18.688 -3.179 1.00 0.00 H new ATOM 0 HD3 ARG A 63 82.651 17.645 -4.575 1.00 0.00 H new ATOM 0 HE ARG A 63 80.127 19.021 -3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 63 83.060 19.174 -5.741 1.00 0.00 H new ATOM 0 HH12 ARG A 63 82.346 20.332 -6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 63 79.284 20.484 -5.204 1.00 0.00 H new ATOM 0 HH22 ARG A 63 80.249 21.058 -6.568 1.00 0.00 H new ATOM 998 N SER A 64 84.109 13.437 -2.013 1.00 0.00 N ATOM 999 CA SER A 64 85.184 12.631 -1.347 1.00 0.00 C ATOM 1000 C SER A 64 84.787 11.156 -1.270 1.00 0.00 C ATOM 1001 O SER A 64 83.621 10.821 -1.203 1.00 0.00 O ATOM 1002 CB SER A 64 85.320 13.227 0.052 1.00 0.00 C ATOM 1003 OG SER A 64 86.403 12.599 0.727 1.00 0.00 O ATOM 0 H SER A 64 83.190 12.996 -2.040 1.00 0.00 H new ATOM 0 HA SER A 64 86.123 12.670 -1.900 1.00 0.00 H new ATOM 0 HB2 SER A 64 85.491 14.302 -0.013 1.00 0.00 H new ATOM 0 HB3 SER A 64 84.396 13.085 0.612 1.00 0.00 H new ATOM 0 HG SER A 64 86.494 12.981 1.625 1.00 0.00 H new ATOM 1009 N ILE A 65 85.758 10.271 -1.275 1.00 0.00 N ATOM 1010 CA ILE A 65 85.455 8.807 -1.214 1.00 0.00 C ATOM 1011 C ILE A 65 86.449 8.108 -0.281 1.00 0.00 C ATOM 1012 O ILE A 65 87.596 8.503 -0.170 1.00 0.00 O ATOM 1013 CB ILE A 65 85.597 8.276 -2.646 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.656 9.043 -3.587 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.242 6.783 -2.668 1.00 0.00 C ATOM 1016 CD1 ILE A 65 84.879 8.582 -5.030 1.00 0.00 C ATOM 0 H ILE A 65 86.750 10.503 -1.319 1.00 0.00 H new ATOM 0 HA ILE A 65 84.454 8.620 -0.826 1.00 0.00 H new ATOM 0 HB ILE A 65 86.624 8.416 -2.982 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.619 8.873 -3.297 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.839 10.114 -3.505 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.341 6.400 -3.684 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.917 6.239 -2.008 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.215 6.648 -2.328 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.209 9.129 -5.694 1.00 0.00 H new ATOM 0 HD12 ILE A 65 85.913 8.775 -5.318 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.674 7.514 -5.107 1.00 0.00 H new ATOM 1028 N ASP A 66 86.009 7.071 0.387 1.00 0.00 N ATOM 1029 CA ASP A 66 86.918 6.309 1.297 1.00 0.00 C ATOM 1030 C ASP A 66 86.669 4.802 1.164 1.00 0.00 C ATOM 1031 O ASP A 66 85.544 4.350 1.251 1.00 0.00 O ATOM 1032 CB ASP A 66 86.558 6.794 2.709 1.00 0.00 C ATOM 1033 CG ASP A 66 85.080 6.514 3.012 1.00 0.00 C ATOM 1034 OD1 ASP A 66 84.242 7.020 2.284 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.816 5.800 3.965 1.00 0.00 O ATOM 0 H ASP A 66 85.053 6.718 0.341 1.00 0.00 H new ATOM 0 HA ASP A 66 87.970 6.474 1.063 1.00 0.00 H new ATOM 0 HB2 ASP A 66 87.188 6.292 3.444 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.757 7.862 2.795 1.00 0.00 H new ATOM 1040 N LEU A 67 87.707 4.026 0.954 1.00 0.00 N ATOM 1041 CA LEU A 67 87.544 2.538 0.953 1.00 0.00 C ATOM 1042 C LEU A 67 87.415 2.031 2.393 1.00 0.00 C ATOM 1043 O LEU A 67 88.349 2.116 3.171 1.00 0.00 O ATOM 1044 CB LEU A 67 88.825 1.995 0.309 1.00 0.00 C ATOM 1045 CG LEU A 67 88.680 1.984 -1.225 1.00 0.00 C ATOM 1046 CD1 LEU A 67 89.953 2.539 -1.870 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.460 0.546 -1.716 1.00 0.00 C ATOM 0 H LEU A 67 88.656 4.358 0.784 1.00 0.00 H new ATOM 0 HA LEU A 67 86.653 2.218 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.676 2.611 0.598 1.00 0.00 H new ATOM 0 HB3 LEU A 67 89.024 0.986 0.671 1.00 0.00 H new ATOM 0 HG LEU A 67 87.827 2.603 -1.503 1.00 0.00 H new ATOM 0 HD11 LEU A 67 89.845 2.529 -2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 67 90.116 3.562 -1.531 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.805 1.922 -1.584 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.358 0.544 -2.801 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.312 -0.070 -1.430 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.553 0.142 -1.266 1.00 0.00 H new ATOM 1059 N ILE A 68 86.267 1.508 2.750 1.00 0.00 N ATOM 1060 CA ILE A 68 86.067 0.995 4.144 1.00 0.00 C ATOM 1061 C ILE A 68 86.801 -0.337 4.319 1.00 0.00 C ATOM 1062 O ILE A 68 87.549 -0.527 5.262 1.00 0.00 O ATOM 1063 CB ILE A 68 84.553 0.798 4.296 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.827 2.127 4.054 1.00 0.00 C ATOM 1065 CG2 ILE A 68 84.236 0.304 5.710 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.310 1.898 4.054 1.00 0.00 C ATOM 0 H ILE A 68 85.458 1.414 2.136 1.00 0.00 H new ATOM 0 HA ILE A 68 86.458 1.682 4.894 1.00 0.00 H new ATOM 0 HB ILE A 68 84.218 0.062 3.566 1.00 0.00 H new ATOM 0 HG12 ILE A 68 84.096 2.845 4.829 1.00 0.00 H new ATOM 0 HG13 ILE A 68 84.140 2.554 3.101 1.00 0.00 H new ATOM 0 HG21 ILE A 68 83.160 0.165 5.814 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.743 -0.645 5.886 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.579 1.039 6.438 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.799 2.845 3.882 1.00 0.00 H new ATOM 0 HD12 ILE A 68 82.048 1.195 3.263 1.00 0.00 H new ATOM 0 HD13 ILE A 68 82.004 1.490 5.017 1.00 0.00 H new ATOM 1078 N GLU A 69 86.587 -1.253 3.412 1.00 0.00 N ATOM 1079 CA GLU A 69 87.202 -2.608 3.534 1.00 0.00 C ATOM 1080 C GLU A 69 87.742 -3.065 2.169 1.00 0.00 C ATOM 1081 O GLU A 69 86.980 -3.528 1.344 1.00 0.00 O ATOM 1082 CB GLU A 69 86.064 -3.520 3.994 1.00 0.00 C ATOM 1083 CG GLU A 69 85.848 -3.351 5.499 1.00 0.00 C ATOM 1084 CD GLU A 69 84.419 -3.757 5.860 1.00 0.00 C ATOM 1085 OE1 GLU A 69 83.981 -4.794 5.390 1.00 0.00 O ATOM 1086 OE2 GLU A 69 83.784 -3.024 6.600 1.00 0.00 O ATOM 0 H GLU A 69 86.007 -1.119 2.584 1.00 0.00 H new ATOM 0 HA GLU A 69 88.040 -2.622 4.231 1.00 0.00 H new ATOM 0 HB2 GLU A 69 85.148 -3.276 3.455 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.302 -4.559 3.765 1.00 0.00 H new ATOM 0 HG2 GLU A 69 86.561 -3.964 6.050 1.00 0.00 H new ATOM 0 HG3 GLU A 69 86.027 -2.315 5.788 1.00 0.00 H new