USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 715 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 87 THR OG1 : rot 76:sc= 0.0505 USER MOD Set 1.2: A 92 TYR OH : rot 30:sc= 0.417 USER MOD Set 2.1: A 7 THR OG1 : rot 176:sc= -0.258 USER MOD Set 2.2: A 91 THR OG1 : rot -60:sc= 0.378 USER MOD Set 3.1: A 36 HIS : no HD1:sc= -0.332 X(o=-0.51,f=-0.57) USER MOD Set 3.2: A 65 ASN : amide:sc= -0.175 K(o=-0.51,f=-1) USER MOD Set 4.1: A 56 SER OG : rot 175:sc= 0.775 USER MOD Set 4.2: A 61 GLN : amide:sc= -0.734 K(o=0.04,f=-7.9!) USER MOD Single : A 1 VAL N :NH3+ 160:sc= -0.166 (180deg=-0.607) USER MOD Single : A 3 LYS NZ :NH3+ -166:sc= 0.136 (180deg=0.0947) USER MOD Single : A 5 THR OG1 : rot 42:sc= 0.0224 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 82:sc= 0.818 USER MOD Single : A 13 ASN :FLIP amide:sc= -0.337 F(o=-2.2,f=-0.34) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -56:sc= -0.199 USER MOD Single : A 27 THR OG1 : rot 180:sc=-0.00863 USER MOD Single : A 28 MET CE :methyl -168:sc= 0 (180deg=-0.112) USER MOD Single : A 38 SER OG : rot 180:sc= 0.353 USER MOD Single : A 44 MET CE :methyl 174:sc= -0.854 (180deg=-0.887) USER MOD Single : A 45 THR OG1 : rot 180:sc=-0.00717 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot -110:sc= -0.464 USER MOD Single : A 70 THR OG1 : rot -81:sc= 1.41 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= 0.944 K(o=0.94,f=-7!) USER MOD Single : A 85 LYS NZ :NH3+ -165:sc=-0.00108 (180deg=-0.155) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 4.345 13.951 21.979 1.00 0.00 N ATOM 2 CA VAL A 1 4.176 14.685 23.264 1.00 0.00 C ATOM 3 C VAL A 1 5.522 15.211 23.750 1.00 0.00 C ATOM 4 O VAL A 1 6.552 14.560 23.572 1.00 0.00 O ATOM 5 CB VAL A 1 3.566 13.780 24.331 1.00 0.00 C ATOM 6 CG1 VAL A 1 2.057 13.662 24.134 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.220 12.402 24.301 1.00 0.00 C ATOM 0 H1 VAL A 1 3.530 13.323 21.828 1.00 0.00 H new ATOM 0 H2 VAL A 1 4.407 14.632 21.196 1.00 0.00 H new ATOM 0 H3 VAL A 1 5.216 13.384 22.015 1.00 0.00 H new ATOM 0 HA VAL A 1 3.501 15.523 23.089 1.00 0.00 H new ATOM 0 HB VAL A 1 3.751 14.227 25.308 1.00 0.00 H new ATOM 0 HG11 VAL A 1 1.639 13.013 24.904 1.00 0.00 H new ATOM 0 HG12 VAL A 1 1.602 14.650 24.206 1.00 0.00 H new ATOM 0 HG13 VAL A 1 1.850 13.239 23.151 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.773 11.770 25.068 1.00 0.00 H new ATOM 0 HG22 VAL A 1 4.067 11.948 23.322 1.00 0.00 H new ATOM 0 HG23 VAL A 1 5.289 12.502 24.491 1.00 0.00 H new ATOM 19 N PRO A 2 5.531 16.402 24.374 1.00 0.00 N ATOM 20 CA PRO A 2 6.763 17.016 24.889 1.00 0.00 C ATOM 21 C PRO A 2 7.229 16.365 26.187 1.00 0.00 C ATOM 22 O PRO A 2 6.415 15.905 26.988 1.00 0.00 O ATOM 23 CB PRO A 2 6.378 18.471 25.123 1.00 0.00 C ATOM 24 CG PRO A 2 4.897 18.466 25.328 1.00 0.00 C ATOM 25 CD PRO A 2 4.349 17.244 24.627 1.00 0.00 C ATOM 0 HA PRO A 2 7.596 16.899 24.195 1.00 0.00 H new ATOM 0 HB2 PRO A 2 6.893 18.878 25.993 1.00 0.00 H new ATOM 0 HB3 PRO A 2 6.654 19.092 24.270 1.00 0.00 H new ATOM 0 HG2 PRO A 2 4.657 18.439 26.391 1.00 0.00 H new ATOM 0 HG3 PRO A 2 4.450 19.374 24.923 1.00 0.00 H new ATOM 0 HD2 PRO A 2 3.618 16.725 25.247 1.00 0.00 H new ATOM 0 HD3 PRO A 2 3.846 17.512 23.698 1.00 0.00 H new ATOM 33 N LYS A 3 8.542 16.329 26.389 1.00 0.00 N ATOM 34 CA LYS A 3 9.117 15.734 27.591 1.00 0.00 C ATOM 35 C LYS A 3 10.063 16.717 28.270 1.00 0.00 C ATOM 36 O LYS A 3 11.280 16.640 28.101 1.00 0.00 O ATOM 37 CB LYS A 3 9.866 14.454 27.233 1.00 0.00 C ATOM 38 CG LYS A 3 9.015 13.544 26.351 1.00 0.00 C ATOM 39 CD LYS A 3 9.873 12.504 25.637 1.00 0.00 C ATOM 40 CE LYS A 3 10.223 12.954 24.221 1.00 0.00 C ATOM 41 NZ LYS A 3 9.128 12.630 23.264 1.00 0.00 N ATOM 0 H LYS A 3 9.229 16.705 25.735 1.00 0.00 H new ATOM 0 HA LYS A 3 8.309 15.493 28.281 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.792 14.704 26.715 1.00 0.00 H new ATOM 0 HB3 LYS A 3 10.144 13.925 28.145 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.264 13.042 26.961 1.00 0.00 H new ATOM 0 HG3 LYS A 3 8.480 14.144 25.615 1.00 0.00 H new ATOM 0 HD2 LYS A 3 10.788 12.333 26.204 1.00 0.00 H new ATOM 0 HD3 LYS A 3 9.340 11.554 25.598 1.00 0.00 H new ATOM 0 HE2 LYS A 3 10.409 14.028 24.214 1.00 0.00 H new ATOM 0 HE3 LYS A 3 11.145 12.469 23.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.479 12.725 22.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 8.806 11.654 23.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.333 13.285 23.411 1.00 0.00 H new ATOM 55 N VAL A 4 9.496 17.641 29.038 1.00 0.00 N ATOM 56 CA VAL A 4 10.287 18.643 29.745 1.00 0.00 C ATOM 57 C VAL A 4 11.022 18.009 30.919 1.00 0.00 C ATOM 58 O VAL A 4 10.780 16.853 31.264 1.00 0.00 O ATOM 59 CB VAL A 4 9.379 19.763 30.243 1.00 0.00 C ATOM 60 CG1 VAL A 4 8.828 20.566 29.068 1.00 0.00 C ATOM 61 CG2 VAL A 4 8.238 19.196 31.082 1.00 0.00 C ATOM 0 H VAL A 4 8.490 17.717 29.187 1.00 0.00 H new ATOM 0 HA VAL A 4 11.023 19.057 29.056 1.00 0.00 H new ATOM 0 HB VAL A 4 9.970 20.430 30.871 1.00 0.00 H new ATOM 0 HG11 VAL A 4 8.182 21.361 29.441 1.00 0.00 H new ATOM 0 HG12 VAL A 4 9.654 21.003 28.507 1.00 0.00 H new ATOM 0 HG13 VAL A 4 8.254 19.908 28.415 1.00 0.00 H new ATOM 0 HG21 VAL A 4 7.601 20.010 31.428 1.00 0.00 H new ATOM 0 HG22 VAL A 4 7.649 18.507 30.477 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.647 18.665 31.941 1.00 0.00 H new ATOM 71 N THR A 5 11.923 18.773 31.530 1.00 0.00 N ATOM 72 CA THR A 5 12.695 18.284 32.667 1.00 0.00 C ATOM 73 C THR A 5 13.152 19.445 33.541 1.00 0.00 C ATOM 74 O THR A 5 13.682 20.439 33.044 1.00 0.00 O ATOM 75 CB THR A 5 13.908 17.498 32.176 1.00 0.00 C ATOM 76 OG1 THR A 5 14.565 18.215 31.142 1.00 0.00 O ATOM 77 CG2 THR A 5 13.493 16.119 31.673 1.00 0.00 C ATOM 0 H THR A 5 12.136 19.732 31.257 1.00 0.00 H new ATOM 0 HA THR A 5 12.058 17.628 33.261 1.00 0.00 H new ATOM 0 HB THR A 5 14.594 17.366 33.013 1.00 0.00 H new ATOM 0 HG1 THR A 5 14.608 19.165 31.379 1.00 0.00 H new ATOM 0 HG21 THR A 5 14.374 15.577 31.328 1.00 0.00 H new ATOM 0 HG22 THR A 5 13.019 15.564 32.483 1.00 0.00 H new ATOM 0 HG23 THR A 5 12.789 16.229 30.848 1.00 0.00 H new ATOM 85 N PHE A 6 12.946 19.311 34.847 1.00 0.00 N ATOM 86 CA PHE A 6 13.339 20.346 35.798 1.00 0.00 C ATOM 87 C PHE A 6 14.639 19.957 36.485 1.00 0.00 C ATOM 88 O PHE A 6 15.018 18.786 36.498 1.00 0.00 O ATOM 89 CB PHE A 6 12.239 20.544 36.836 1.00 0.00 C ATOM 90 CG PHE A 6 10.906 20.876 36.217 1.00 0.00 C ATOM 91 CD1 PHE A 6 10.206 19.906 35.518 1.00 0.00 C ATOM 92 CD2 PHE A 6 10.380 22.151 36.344 1.00 0.00 C ATOM 93 CE1 PHE A 6 8.982 20.210 34.948 1.00 0.00 C ATOM 94 CE2 PHE A 6 9.155 22.455 35.773 1.00 0.00 C ATOM 95 CZ PHE A 6 8.456 21.484 35.075 1.00 0.00 C ATOM 0 H PHE A 6 12.508 18.494 35.272 1.00 0.00 H new ATOM 0 HA PHE A 6 13.491 21.281 35.260 1.00 0.00 H new ATOM 0 HB2 PHE A 6 12.142 19.637 37.433 1.00 0.00 H new ATOM 0 HB3 PHE A 6 12.528 21.345 37.517 1.00 0.00 H new ATOM 0 HD1 PHE A 6 10.616 18.912 35.418 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.925 22.908 36.888 1.00 0.00 H new ATOM 0 HE1 PHE A 6 8.437 19.453 34.404 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.745 23.449 35.872 1.00 0.00 H new ATOM 0 HZ PHE A 6 7.501 21.721 34.630 1.00 0.00 H new ATOM 105 N THR A 7 15.324 20.942 37.056 1.00 0.00 N ATOM 106 CA THR A 7 16.587 20.690 37.742 1.00 0.00 C ATOM 107 C THR A 7 16.871 21.782 38.764 1.00 0.00 C ATOM 108 O THR A 7 16.871 22.969 38.438 1.00 0.00 O ATOM 109 CB THR A 7 17.724 20.617 36.728 1.00 0.00 C ATOM 110 OG1 THR A 7 17.306 19.896 35.579 1.00 0.00 O ATOM 111 CG2 THR A 7 18.953 19.954 37.341 1.00 0.00 C ATOM 0 H THR A 7 15.028 21.918 37.058 1.00 0.00 H new ATOM 0 HA THR A 7 16.512 19.737 38.266 1.00 0.00 H new ATOM 0 HB THR A 7 17.990 21.633 36.436 1.00 0.00 H new ATOM 0 HG1 THR A 7 18.019 19.910 34.907 1.00 0.00 H new ATOM 0 HG21 THR A 7 19.752 19.912 36.600 1.00 0.00 H new ATOM 0 HG22 THR A 7 19.287 20.532 38.202 1.00 0.00 H new ATOM 0 HG23 THR A 7 18.700 18.943 37.659 1.00 0.00 H new ATOM 119 N VAL A 8 17.117 21.370 40.003 1.00 0.00 N ATOM 120 CA VAL A 8 17.408 22.308 41.082 1.00 0.00 C ATOM 121 C VAL A 8 18.657 23.117 40.756 1.00 0.00 C ATOM 122 O VAL A 8 19.757 22.571 40.668 1.00 0.00 O ATOM 123 CB VAL A 8 17.606 21.545 42.389 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.950 22.504 43.525 1.00 0.00 C ATOM 125 CG2 VAL A 8 16.357 20.738 42.728 1.00 0.00 C ATOM 0 H VAL A 8 17.121 20.390 40.286 1.00 0.00 H new ATOM 0 HA VAL A 8 16.568 22.993 41.191 1.00 0.00 H new ATOM 0 HB VAL A 8 18.440 20.854 42.262 1.00 0.00 H new ATOM 0 HG11 VAL A 8 18.087 21.940 44.448 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.870 23.037 43.285 1.00 0.00 H new ATOM 0 HG13 VAL A 8 17.139 23.220 43.655 1.00 0.00 H new ATOM 0 HG21 VAL A 8 16.514 20.200 43.663 1.00 0.00 H new ATOM 0 HG22 VAL A 8 15.507 21.412 42.836 1.00 0.00 H new ATOM 0 HG23 VAL A 8 16.156 20.025 41.928 1.00 0.00 H new ATOM 135 N GLU A 9 18.481 24.421 40.577 1.00 0.00 N ATOM 136 CA GLU A 9 19.594 25.309 40.258 1.00 0.00 C ATOM 137 C GLU A 9 20.158 25.933 41.529 1.00 0.00 C ATOM 138 O GLU A 9 19.496 25.959 42.566 1.00 0.00 O ATOM 139 CB GLU A 9 19.129 26.403 39.303 1.00 0.00 C ATOM 140 CG GLU A 9 18.734 25.821 37.948 1.00 0.00 C ATOM 141 CD GLU A 9 19.970 25.621 37.081 1.00 0.00 C ATOM 142 OE1 GLU A 9 20.512 26.627 36.575 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.394 24.459 36.907 1.00 0.00 O ATOM 0 H GLU A 9 17.577 24.888 40.647 1.00 0.00 H new ATOM 0 HA GLU A 9 20.380 24.725 39.778 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.280 26.931 39.737 1.00 0.00 H new ATOM 0 HB3 GLU A 9 19.925 27.135 39.169 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.221 24.869 38.088 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.034 26.489 37.447 1.00 0.00 H new ATOM 150 N LYS A 10 21.386 26.435 41.441 1.00 0.00 N ATOM 151 CA LYS A 10 22.042 27.061 42.585 1.00 0.00 C ATOM 152 C LYS A 10 21.174 28.180 43.146 1.00 0.00 C ATOM 153 O LYS A 10 20.299 28.705 42.459 1.00 0.00 O ATOM 154 CB LYS A 10 23.400 27.616 42.166 1.00 0.00 C ATOM 155 CG LYS A 10 24.330 27.770 43.367 1.00 0.00 C ATOM 156 CD LYS A 10 25.753 28.099 42.924 1.00 0.00 C ATOM 157 CE LYS A 10 26.718 26.970 43.277 1.00 0.00 C ATOM 158 NZ LYS A 10 27.690 27.395 44.324 1.00 0.00 N ATOM 0 H LYS A 10 21.947 26.421 40.589 1.00 0.00 H new ATOM 0 HA LYS A 10 22.187 26.309 43.360 1.00 0.00 H new ATOM 0 HB2 LYS A 10 23.856 26.951 41.433 1.00 0.00 H new ATOM 0 HB3 LYS A 10 23.266 28.583 41.680 1.00 0.00 H new ATOM 0 HG2 LYS A 10 23.958 28.560 44.020 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.331 26.849 43.950 1.00 0.00 H new ATOM 0 HD2 LYS A 10 25.770 28.272 41.848 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.080 29.023 43.401 1.00 0.00 H new ATOM 0 HE2 LYS A 10 26.156 26.105 43.629 1.00 0.00 H new ATOM 0 HE3 LYS A 10 27.257 26.657 42.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 28.332 26.606 44.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 28.242 28.205 43.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 27.175 27.670 45.185 1.00 0.00 H new ATOM 172 N GLY A 11 21.422 28.541 44.401 1.00 0.00 N ATOM 173 CA GLY A 11 20.663 29.599 45.059 1.00 0.00 C ATOM 174 C GLY A 11 19.401 29.039 45.701 1.00 0.00 C ATOM 175 O GLY A 11 18.416 29.755 45.883 1.00 0.00 O ATOM 0 H GLY A 11 22.144 28.116 44.983 1.00 0.00 H new ATOM 0 HA2 GLY A 11 21.281 30.078 45.818 1.00 0.00 H new ATOM 0 HA3 GLY A 11 20.397 30.367 44.333 1.00 0.00 H new ATOM 179 N SER A 12 19.435 27.755 46.042 1.00 0.00 N ATOM 180 CA SER A 12 18.292 27.095 46.663 1.00 0.00 C ATOM 181 C SER A 12 18.430 27.105 48.181 1.00 0.00 C ATOM 182 O SER A 12 19.392 26.569 48.730 1.00 0.00 O ATOM 183 CB SER A 12 18.188 25.658 46.161 1.00 0.00 C ATOM 184 OG SER A 12 17.813 25.635 44.793 1.00 0.00 O ATOM 0 H SER A 12 20.243 27.150 45.898 1.00 0.00 H new ATOM 0 HA SER A 12 17.386 27.638 46.392 1.00 0.00 H new ATOM 0 HB2 SER A 12 19.144 25.151 46.290 1.00 0.00 H new ATOM 0 HB3 SER A 12 17.455 25.112 46.754 1.00 0.00 H new ATOM 0 HG SER A 12 18.606 25.776 44.234 1.00 0.00 H new ATOM 190 N ASN A 13 17.461 27.717 48.857 1.00 0.00 N ATOM 191 CA ASN A 13 17.476 27.794 50.314 1.00 0.00 C ATOM 192 C ASN A 13 16.245 27.107 50.895 1.00 0.00 C ATOM 193 O ASN A 13 15.571 26.339 50.209 1.00 0.00 O ATOM 194 CB ASN A 13 17.523 29.254 50.759 1.00 0.00 C ATOM 195 CG ASN A 13 18.643 29.989 50.033 1.00 0.00 C ATOM 196 OD1 ASN A 13 18.438 30.265 48.750 1.00 0.00 O flip ATOM 197 ND2 ASN A 13 19.677 30.302 50.623 1.00 0.00 N flip ATOM 0 H ASN A 13 16.657 28.166 48.419 1.00 0.00 H new ATOM 0 HA ASN A 13 18.365 27.282 50.682 1.00 0.00 H new ATOM 0 HB2 ASN A 13 16.568 29.736 50.552 1.00 0.00 H new ATOM 0 HB3 ASN A 13 17.681 29.309 51.836 1.00 0.00 H new ATOM 0 HD21 ASN A 13 19.792 30.070 51.610 1.00 0.00 H new ATOM 0 HD22 ASN A 13 20.419 30.794 50.125 1.00 0.00 H new ATOM 204 N GLU A 14 15.960 27.383 52.165 1.00 0.00 N ATOM 205 CA GLU A 14 14.815 26.790 52.848 1.00 0.00 C ATOM 206 C GLU A 14 13.556 26.877 51.993 1.00 0.00 C ATOM 207 O GLU A 14 12.972 25.856 51.629 1.00 0.00 O ATOM 208 CB GLU A 14 14.583 27.499 54.179 1.00 0.00 C ATOM 209 CG GLU A 14 13.938 26.563 55.193 1.00 0.00 C ATOM 210 CD GLU A 14 14.492 26.830 56.586 1.00 0.00 C ATOM 211 OE1 GLU A 14 15.585 26.313 56.901 1.00 0.00 O ATOM 212 OE2 GLU A 14 13.833 27.555 57.361 1.00 0.00 O ATOM 0 H GLU A 14 16.510 28.017 52.744 1.00 0.00 H new ATOM 0 HA GLU A 14 15.034 25.737 53.026 1.00 0.00 H new ATOM 0 HB2 GLU A 14 15.532 27.865 54.570 1.00 0.00 H new ATOM 0 HB3 GLU A 14 13.945 28.369 54.025 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.857 26.703 55.191 1.00 0.00 H new ATOM 0 HG3 GLU A 14 14.126 25.527 54.912 1.00 0.00 H new ATOM 219 N LYS A 15 13.133 28.099 51.686 1.00 0.00 N ATOM 220 CA LYS A 15 11.930 28.313 50.886 1.00 0.00 C ATOM 221 C LYS A 15 12.283 28.586 49.428 1.00 0.00 C ATOM 222 O LYS A 15 11.498 28.290 48.528 1.00 0.00 O ATOM 223 CB LYS A 15 11.132 29.482 51.455 1.00 0.00 C ATOM 224 CG LYS A 15 11.916 30.788 51.362 1.00 0.00 C ATOM 225 CD LYS A 15 12.158 31.384 52.745 1.00 0.00 C ATOM 226 CE LYS A 15 10.857 31.886 53.365 1.00 0.00 C ATOM 227 NZ LYS A 15 11.120 32.792 54.518 1.00 0.00 N ATOM 0 H LYS A 15 13.604 28.955 51.978 1.00 0.00 H new ATOM 0 HA LYS A 15 11.326 27.406 50.926 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.192 29.581 50.913 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.880 29.280 52.496 1.00 0.00 H new ATOM 0 HG2 LYS A 15 12.871 30.608 50.868 1.00 0.00 H new ATOM 0 HG3 LYS A 15 11.368 31.501 50.746 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.607 30.632 53.394 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.869 32.207 52.670 1.00 0.00 H new ATOM 0 HE2 LYS A 15 10.273 32.414 52.611 1.00 0.00 H new ATOM 0 HE3 LYS A 15 10.258 31.037 53.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.216 33.116 54.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.657 32.280 55.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.671 33.613 54.196 1.00 0.00 H new ATOM 241 N HIS A 16 13.463 29.152 49.197 1.00 0.00 N ATOM 242 CA HIS A 16 13.907 29.464 47.842 1.00 0.00 C ATOM 243 C HIS A 16 14.097 28.184 47.037 1.00 0.00 C ATOM 244 O HIS A 16 14.850 27.295 47.434 1.00 0.00 O ATOM 245 CB HIS A 16 15.213 30.249 47.887 1.00 0.00 C ATOM 246 CG HIS A 16 15.011 31.722 47.711 1.00 0.00 C ATOM 247 ND1 HIS A 16 14.670 32.563 48.739 1.00 0.00 N ATOM 248 CD2 HIS A 16 15.098 32.524 46.618 1.00 0.00 C ATOM 249 CE1 HIS A 16 14.554 33.800 48.316 1.00 0.00 C ATOM 250 NE2 HIS A 16 14.810 33.816 47.018 1.00 0.00 N ATOM 0 H HIS A 16 14.128 29.404 49.928 1.00 0.00 H new ATOM 0 HA HIS A 16 13.143 30.072 47.357 1.00 0.00 H new ATOM 0 HB2 HIS A 16 15.709 30.066 48.840 1.00 0.00 H new ATOM 0 HB3 HIS A 16 15.879 29.882 47.106 1.00 0.00 H new ATOM 0 HD2 HIS A 16 15.348 32.209 45.616 1.00 0.00 H new ATOM 0 HE1 HIS A 16 14.295 34.656 48.922 1.00 0.00 H new ATOM 0 HE2 HIS A 16 14.797 34.639 46.416 1.00 0.00 H new ATOM 258 N LEU A 17 13.408 28.097 45.903 1.00 0.00 N ATOM 259 CA LEU A 17 13.498 26.924 45.038 1.00 0.00 C ATOM 260 C LEU A 17 13.780 27.344 43.600 1.00 0.00 C ATOM 261 O LEU A 17 12.873 27.744 42.870 1.00 0.00 O ATOM 262 CB LEU A 17 12.195 26.130 45.103 1.00 0.00 C ATOM 263 CG LEU A 17 12.449 24.628 45.002 1.00 0.00 C ATOM 264 CD1 LEU A 17 13.005 24.268 43.627 1.00 0.00 C ATOM 265 CD2 LEU A 17 13.401 24.168 46.103 1.00 0.00 C ATOM 0 H LEU A 17 12.781 28.825 45.561 1.00 0.00 H new ATOM 0 HA LEU A 17 14.318 26.296 45.385 1.00 0.00 H new ATOM 0 HB2 LEU A 17 11.680 26.351 46.038 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.536 26.444 44.294 1.00 0.00 H new ATOM 0 HG LEU A 17 11.498 24.111 45.133 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.179 23.193 43.575 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.289 24.557 42.858 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.945 24.796 43.465 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.569 23.095 46.014 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.351 24.694 46.006 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.964 24.387 47.077 1.00 0.00 H new ATOM 277 N ALA A 18 15.044 27.245 43.199 1.00 0.00 N ATOM 278 CA ALA A 18 15.455 27.610 41.845 1.00 0.00 C ATOM 279 C ALA A 18 15.499 26.372 40.959 1.00 0.00 C ATOM 280 O ALA A 18 16.081 25.353 41.332 1.00 0.00 O ATOM 281 CB ALA A 18 16.829 28.273 41.881 1.00 0.00 C ATOM 0 H ALA A 18 15.804 26.914 43.793 1.00 0.00 H new ATOM 0 HA ALA A 18 14.730 28.312 41.433 1.00 0.00 H new ATOM 0 HB1 ALA A 18 17.130 28.543 40.869 1.00 0.00 H new ATOM 0 HB2 ALA A 18 16.784 29.171 42.497 1.00 0.00 H new ATOM 0 HB3 ALA A 18 17.557 27.580 42.303 1.00 0.00 H new ATOM 287 N VAL A 19 14.881 26.461 39.785 1.00 0.00 N ATOM 288 CA VAL A 19 14.855 25.339 38.851 1.00 0.00 C ATOM 289 C VAL A 19 15.047 25.823 37.418 1.00 0.00 C ATOM 290 O VAL A 19 14.429 26.799 36.992 1.00 0.00 O ATOM 291 CB VAL A 19 13.534 24.582 38.976 1.00 0.00 C ATOM 292 CG1 VAL A 19 13.306 24.143 40.419 1.00 0.00 C ATOM 293 CG2 VAL A 19 12.367 25.437 38.486 1.00 0.00 C ATOM 0 H VAL A 19 14.393 27.295 39.458 1.00 0.00 H new ATOM 0 HA VAL A 19 15.676 24.667 39.100 1.00 0.00 H new ATOM 0 HB VAL A 19 13.590 23.694 38.347 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.361 23.605 40.491 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.120 23.490 40.733 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.274 25.020 41.065 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.438 24.876 38.585 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.307 26.347 39.083 1.00 0.00 H new ATOM 0 HG23 VAL A 19 12.522 25.699 37.440 1.00 0.00 H new ATOM 303 N LEU A 20 15.905 25.129 36.679 1.00 0.00 N ATOM 304 CA LEU A 20 16.184 25.481 35.290 1.00 0.00 C ATOM 305 C LEU A 20 15.147 24.859 34.364 1.00 0.00 C ATOM 306 O LEU A 20 15.226 23.676 34.033 1.00 0.00 O ATOM 307 CB LEU A 20 17.578 25.000 34.901 1.00 0.00 C ATOM 308 CG LEU A 20 18.369 26.104 34.206 1.00 0.00 C ATOM 309 CD1 LEU A 20 19.744 25.593 33.782 1.00 0.00 C ATOM 310 CD2 LEU A 20 17.600 26.636 32.999 1.00 0.00 C ATOM 0 H LEU A 20 16.421 24.317 37.019 1.00 0.00 H new ATOM 0 HA LEU A 20 16.137 26.565 35.191 1.00 0.00 H new ATOM 0 HB2 LEU A 20 18.114 24.671 35.791 1.00 0.00 H new ATOM 0 HB3 LEU A 20 17.496 24.137 34.241 1.00 0.00 H new ATOM 0 HG LEU A 20 18.509 26.922 34.912 1.00 0.00 H new ATOM 0 HD11 LEU A 20 20.294 26.394 33.288 1.00 0.00 H new ATOM 0 HD12 LEU A 20 20.297 25.263 34.662 1.00 0.00 H new ATOM 0 HD13 LEU A 20 19.625 24.757 33.093 1.00 0.00 H new ATOM 0 HD21 LEU A 20 18.180 27.423 32.516 1.00 0.00 H new ATOM 0 HD22 LEU A 20 17.428 25.825 32.291 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.642 27.040 33.327 1.00 0.00 H new ATOM 322 N VAL A 21 14.175 25.664 33.945 1.00 0.00 N ATOM 323 CA VAL A 21 13.122 25.193 33.053 1.00 0.00 C ATOM 324 C VAL A 21 13.385 25.664 31.628 1.00 0.00 C ATOM 325 O VAL A 21 12.975 26.758 31.240 1.00 0.00 O ATOM 326 CB VAL A 21 11.766 25.709 33.528 1.00 0.00 C ATOM 327 CG1 VAL A 21 10.657 25.242 32.589 1.00 0.00 C ATOM 328 CG2 VAL A 21 11.488 25.248 34.956 1.00 0.00 C ATOM 0 H VAL A 21 14.095 26.646 34.209 1.00 0.00 H new ATOM 0 HA VAL A 21 13.115 24.103 33.067 1.00 0.00 H new ATOM 0 HB VAL A 21 11.790 26.799 33.517 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.698 25.619 32.943 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.847 25.620 31.585 1.00 0.00 H new ATOM 0 HG13 VAL A 21 10.633 24.152 32.568 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.517 25.625 35.278 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.484 24.159 34.992 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.264 25.630 35.619 1.00 0.00 H new ATOM 338 N LYS A 22 14.072 24.832 30.852 1.00 0.00 N ATOM 339 CA LYS A 22 14.392 25.164 29.468 1.00 0.00 C ATOM 340 C LYS A 22 14.597 23.895 28.650 1.00 0.00 C ATOM 341 O LYS A 22 15.207 22.934 29.119 1.00 0.00 O ATOM 342 CB LYS A 22 15.651 26.024 29.415 1.00 0.00 C ATOM 343 CG LYS A 22 15.899 26.555 28.006 1.00 0.00 C ATOM 344 CD LYS A 22 16.643 25.532 27.152 1.00 0.00 C ATOM 345 CE LYS A 22 17.970 26.092 26.650 1.00 0.00 C ATOM 346 NZ LYS A 22 19.116 25.246 27.090 1.00 0.00 N ATOM 0 H LYS A 22 14.418 23.923 31.158 1.00 0.00 H new ATOM 0 HA LYS A 22 13.558 25.723 29.043 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.553 26.859 30.109 1.00 0.00 H new ATOM 0 HB3 LYS A 22 16.509 25.437 29.741 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.947 26.802 27.535 1.00 0.00 H new ATOM 0 HG3 LYS A 22 16.477 27.477 28.059 1.00 0.00 H new ATOM 0 HD2 LYS A 22 16.824 24.630 27.736 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.023 25.243 26.303 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.954 26.150 25.562 1.00 0.00 H new ATOM 0 HE3 LYS A 22 18.102 27.108 27.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 20.004 25.652 26.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.143 25.212 28.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 19.001 24.283 26.715 1.00 0.00 H new ATOM 360 N TYR A 23 14.086 23.900 27.424 1.00 0.00 N ATOM 361 CA TYR A 23 14.211 22.751 26.533 1.00 0.00 C ATOM 362 C TYR A 23 14.119 23.198 25.080 1.00 0.00 C ATOM 363 O TYR A 23 13.748 24.336 24.794 1.00 0.00 O ATOM 364 CB TYR A 23 13.119 21.726 26.836 1.00 0.00 C ATOM 365 CG TYR A 23 11.804 22.354 27.216 1.00 0.00 C ATOM 366 CD1 TYR A 23 11.588 22.773 28.517 1.00 0.00 C ATOM 367 CD2 TYR A 23 10.811 22.514 26.266 1.00 0.00 C ATOM 368 CE1 TYR A 23 10.380 23.349 28.867 1.00 0.00 C ATOM 369 CE2 TYR A 23 9.603 23.090 26.617 1.00 0.00 C ATOM 370 CZ TYR A 23 9.393 23.506 27.916 1.00 0.00 C ATOM 371 OH TYR A 23 8.192 24.080 28.264 1.00 0.00 O ATOM 0 H TYR A 23 13.580 24.689 27.023 1.00 0.00 H new ATOM 0 HA TYR A 23 15.184 22.288 26.697 1.00 0.00 H new ATOM 0 HB2 TYR A 23 12.972 21.092 25.962 1.00 0.00 H new ATOM 0 HB3 TYR A 23 13.453 21.078 27.647 1.00 0.00 H new ATOM 0 HD1 TYR A 23 12.363 22.650 29.259 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.979 22.189 25.250 1.00 0.00 H new ATOM 0 HE1 TYR A 23 10.210 23.675 29.882 1.00 0.00 H new ATOM 0 HE2 TYR A 23 8.827 23.214 25.877 1.00 0.00 H new ATOM 0 HH TYR A 23 7.796 23.583 29.010 1.00 0.00 H new ATOM 381 N GLU A 24 14.461 22.298 24.165 1.00 0.00 N ATOM 382 CA GLU A 24 14.419 22.603 22.738 1.00 0.00 C ATOM 383 C GLU A 24 12.979 22.636 22.244 1.00 0.00 C ATOM 384 O GLU A 24 12.230 21.675 22.418 1.00 0.00 O ATOM 385 CB GLU A 24 15.214 21.560 21.959 1.00 0.00 C ATOM 386 CG GLU A 24 15.856 22.170 20.716 1.00 0.00 C ATOM 387 CD GLU A 24 15.520 21.337 19.487 1.00 0.00 C ATOM 388 OE1 GLU A 24 14.358 21.390 19.031 1.00 0.00 O ATOM 389 OE2 GLU A 24 16.418 20.631 18.982 1.00 0.00 O ATOM 0 H GLU A 24 14.770 21.351 24.385 1.00 0.00 H new ATOM 0 HA GLU A 24 14.865 23.585 22.578 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.987 21.135 22.599 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.556 20.741 21.667 1.00 0.00 H new ATOM 0 HG2 GLU A 24 15.502 23.192 20.579 1.00 0.00 H new ATOM 0 HG3 GLU A 24 16.937 22.222 20.845 1.00 0.00 H new ATOM 396 N GLY A 25 12.597 23.750 21.627 1.00 0.00 N ATOM 397 CA GLY A 25 11.244 23.914 21.106 1.00 0.00 C ATOM 398 C GLY A 25 10.756 25.340 21.324 1.00 0.00 C ATOM 399 O GLY A 25 10.973 26.215 20.486 1.00 0.00 O ATOM 0 H GLY A 25 13.206 24.554 21.475 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.227 23.676 20.042 1.00 0.00 H new ATOM 0 HA3 GLY A 25 10.571 23.214 21.600 1.00 0.00 H new ATOM 403 N ASP A 26 10.097 25.570 22.455 1.00 0.00 N ATOM 404 CA ASP A 26 9.581 26.895 22.785 1.00 0.00 C ATOM 405 C ASP A 26 10.725 27.824 23.167 1.00 0.00 C ATOM 406 O ASP A 26 11.883 27.563 22.841 1.00 0.00 O ATOM 407 CB ASP A 26 8.584 26.794 23.936 1.00 0.00 C ATOM 408 CG ASP A 26 7.596 25.663 23.681 1.00 0.00 C ATOM 409 OD1 ASP A 26 6.707 25.832 22.821 1.00 0.00 O ATOM 410 OD2 ASP A 26 7.712 24.611 24.344 1.00 0.00 O ATOM 0 H ASP A 26 9.907 24.857 23.159 1.00 0.00 H new ATOM 0 HA ASP A 26 9.074 27.303 21.911 1.00 0.00 H new ATOM 0 HB2 ASP A 26 9.115 26.618 24.872 1.00 0.00 H new ATOM 0 HB3 ASP A 26 8.048 27.737 24.046 1.00 0.00 H new ATOM 415 N THR A 27 10.398 28.910 23.861 1.00 0.00 N ATOM 416 CA THR A 27 11.405 29.876 24.286 1.00 0.00 C ATOM 417 C THR A 27 11.058 30.446 25.656 1.00 0.00 C ATOM 418 O THR A 27 11.373 31.597 25.959 1.00 0.00 O ATOM 419 CB THR A 27 11.512 31.004 23.267 1.00 0.00 C ATOM 420 OG1 THR A 27 11.735 30.470 21.971 1.00 0.00 O ATOM 421 CG2 THR A 27 12.643 31.954 23.643 1.00 0.00 C ATOM 0 H THR A 27 9.445 29.143 24.141 1.00 0.00 H new ATOM 0 HA THR A 27 12.365 29.364 24.355 1.00 0.00 H new ATOM 0 HB THR A 27 10.575 31.561 23.264 1.00 0.00 H new ATOM 0 HG1 THR A 27 11.801 31.202 21.323 1.00 0.00 H new ATOM 0 HG21 THR A 27 12.706 32.754 22.905 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.447 32.382 24.626 1.00 0.00 H new ATOM 0 HG23 THR A 27 13.585 31.407 23.666 1.00 0.00 H new ATOM 429 N MET A 28 10.416 29.633 26.482 1.00 0.00 N ATOM 430 CA MET A 28 10.032 30.052 27.826 1.00 0.00 C ATOM 431 C MET A 28 9.075 31.234 27.766 1.00 0.00 C ATOM 432 O MET A 28 9.389 32.270 27.181 1.00 0.00 O ATOM 433 CB MET A 28 11.272 30.445 28.614 1.00 0.00 C ATOM 434 CG MET A 28 12.311 29.327 28.609 1.00 0.00 C ATOM 435 SD MET A 28 13.955 29.914 29.047 1.00 0.00 S ATOM 436 CE MET A 28 14.744 29.951 27.430 1.00 0.00 C ATOM 0 H MET A 28 10.149 28.677 26.246 1.00 0.00 H new ATOM 0 HA MET A 28 9.531 29.219 28.319 1.00 0.00 H new ATOM 0 HB2 MET A 28 11.706 31.349 28.186 1.00 0.00 H new ATOM 0 HB3 MET A 28 10.993 30.680 29.641 1.00 0.00 H new ATOM 0 HG2 MET A 28 12.007 28.550 29.310 1.00 0.00 H new ATOM 0 HG3 MET A 28 12.343 28.869 27.620 1.00 0.00 H new ATOM 0 HE1 MET A 28 15.819 30.086 27.553 1.00 0.00 H new ATOM 0 HE2 MET A 28 14.553 29.012 26.911 1.00 0.00 H new ATOM 0 HE3 MET A 28 14.338 30.777 26.846 1.00 0.00 H new ATOM 446 N ALA A 29 7.907 31.078 28.378 1.00 0.00 N ATOM 447 CA ALA A 29 6.906 32.138 28.395 1.00 0.00 C ATOM 448 C ALA A 29 6.504 32.470 29.826 1.00 0.00 C ATOM 449 O ALA A 29 6.643 33.610 30.270 1.00 0.00 O ATOM 450 CB ALA A 29 5.679 31.709 27.598 1.00 0.00 C ATOM 0 H ALA A 29 7.630 30.228 28.869 1.00 0.00 H new ATOM 0 HA ALA A 29 7.337 33.029 27.938 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.936 32.507 27.616 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.968 31.505 26.567 1.00 0.00 H new ATOM 0 HB3 ALA A 29 5.254 30.808 28.041 1.00 0.00 H new ATOM 456 N GLU A 30 6.004 31.471 30.544 1.00 0.00 N ATOM 457 CA GLU A 30 5.581 31.661 31.927 1.00 0.00 C ATOM 458 C GLU A 30 5.698 30.357 32.705 1.00 0.00 C ATOM 459 O GLU A 30 5.595 29.271 32.135 1.00 0.00 O ATOM 460 CB GLU A 30 4.140 32.160 31.964 1.00 0.00 C ATOM 461 CG GLU A 30 4.085 33.681 32.071 1.00 0.00 C ATOM 462 CD GLU A 30 3.689 34.289 30.732 1.00 0.00 C ATOM 463 OE1 GLU A 30 3.779 33.582 29.707 1.00 0.00 O ATOM 464 OE2 GLU A 30 3.289 35.473 30.710 1.00 0.00 O ATOM 0 H GLU A 30 5.881 30.522 30.192 1.00 0.00 H new ATOM 0 HA GLU A 30 6.231 32.403 32.392 1.00 0.00 H new ATOM 0 HB2 GLU A 30 3.617 31.837 31.064 1.00 0.00 H new ATOM 0 HB3 GLU A 30 3.620 31.714 32.812 1.00 0.00 H new ATOM 0 HG2 GLU A 30 3.367 33.973 32.838 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.057 34.066 32.380 1.00 0.00 H new ATOM 471 N VAL A 31 5.908 30.472 34.012 1.00 0.00 N ATOM 472 CA VAL A 31 6.034 29.303 34.876 1.00 0.00 C ATOM 473 C VAL A 31 5.356 29.562 36.211 1.00 0.00 C ATOM 474 O VAL A 31 5.194 30.710 36.625 1.00 0.00 O ATOM 475 CB VAL A 31 7.505 28.965 35.103 1.00 0.00 C ATOM 476 CG1 VAL A 31 7.638 27.655 35.874 1.00 0.00 C ATOM 477 CG2 VAL A 31 8.251 28.882 33.775 1.00 0.00 C ATOM 0 H VAL A 31 5.995 31.365 34.497 1.00 0.00 H new ATOM 0 HA VAL A 31 5.549 28.459 34.386 1.00 0.00 H new ATOM 0 HB VAL A 31 7.952 29.763 35.696 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.693 27.429 36.027 1.00 0.00 H new ATOM 0 HG12 VAL A 31 7.143 27.750 36.840 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.173 26.849 35.306 1.00 0.00 H new ATOM 0 HG21 VAL A 31 9.298 28.640 33.960 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.803 28.106 33.154 1.00 0.00 H new ATOM 0 HG23 VAL A 31 8.186 29.841 33.260 1.00 0.00 H new ATOM 487 N GLU A 32 4.955 28.489 36.880 1.00 0.00 N ATOM 488 CA GLU A 32 4.290 28.598 38.165 1.00 0.00 C ATOM 489 C GLU A 32 4.457 27.309 38.960 1.00 0.00 C ATOM 490 O GLU A 32 4.537 26.221 38.390 1.00 0.00 O ATOM 491 CB GLU A 32 2.815 28.893 37.944 1.00 0.00 C ATOM 492 CG GLU A 32 2.135 27.774 37.163 1.00 0.00 C ATOM 493 CD GLU A 32 1.951 28.182 35.706 1.00 0.00 C ATOM 494 OE1 GLU A 32 0.961 28.881 35.405 1.00 0.00 O ATOM 495 OE2 GLU A 32 2.796 27.801 34.870 1.00 0.00 O ATOM 0 H GLU A 32 5.081 27.532 36.550 1.00 0.00 H new ATOM 0 HA GLU A 32 4.740 29.411 38.735 1.00 0.00 H new ATOM 0 HB2 GLU A 32 2.320 29.020 38.907 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.707 29.833 37.404 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.734 26.865 37.220 1.00 0.00 H new ATOM 0 HG3 GLU A 32 1.167 27.546 37.609 1.00 0.00 H new ATOM 502 N LEU A 33 4.511 27.441 40.280 1.00 0.00 N ATOM 503 CA LEU A 33 4.672 26.299 41.165 1.00 0.00 C ATOM 504 C LEU A 33 3.380 26.090 41.957 1.00 0.00 C ATOM 505 O LEU A 33 2.662 27.046 42.251 1.00 0.00 O ATOM 506 CB LEU A 33 5.883 26.555 42.082 1.00 0.00 C ATOM 507 CG LEU A 33 5.782 25.843 43.432 1.00 0.00 C ATOM 508 CD1 LEU A 33 5.798 24.329 43.246 1.00 0.00 C ATOM 509 CD2 LEU A 33 6.917 26.282 44.354 1.00 0.00 C ATOM 0 H LEU A 33 4.445 28.337 40.762 1.00 0.00 H new ATOM 0 HA LEU A 33 4.861 25.386 40.600 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.790 26.228 41.574 1.00 0.00 H new ATOM 0 HB3 LEU A 33 5.981 27.627 42.251 1.00 0.00 H new ATOM 0 HG LEU A 33 4.835 26.120 43.895 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.725 23.842 44.219 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.953 24.030 42.626 1.00 0.00 H new ATOM 0 HD13 LEU A 33 6.727 24.032 42.760 1.00 0.00 H new ATOM 0 HD21 LEU A 33 6.830 25.766 45.310 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.875 26.036 43.895 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.858 27.358 44.516 1.00 0.00 H new ATOM 521 N ARG A 34 3.090 24.839 42.295 1.00 0.00 N ATOM 522 CA ARG A 34 1.882 24.515 43.048 1.00 0.00 C ATOM 523 C ARG A 34 2.199 24.372 44.530 1.00 0.00 C ATOM 524 O ARG A 34 1.752 25.181 45.342 1.00 0.00 O ATOM 525 CB ARG A 34 1.262 23.224 42.519 1.00 0.00 C ATOM 526 CG ARG A 34 -0.256 23.233 42.685 1.00 0.00 C ATOM 527 CD ARG A 34 -0.690 22.360 43.859 1.00 0.00 C ATOM 528 NE ARG A 34 -1.613 23.091 44.721 1.00 0.00 N ATOM 529 CZ ARG A 34 -2.868 22.692 44.899 1.00 0.00 C ATOM 530 NH1 ARG A 34 -3.814 23.073 44.050 1.00 0.00 N ATOM 531 NH2 ARG A 34 -3.178 21.911 45.924 1.00 0.00 N ATOM 0 H ARG A 34 3.672 24.034 42.061 1.00 0.00 H new ATOM 0 HA ARG A 34 1.168 25.329 42.922 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.515 23.101 41.466 1.00 0.00 H new ATOM 0 HB3 ARG A 34 1.684 22.371 43.050 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -0.601 24.255 42.842 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.726 22.875 41.769 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.168 21.453 43.489 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.184 22.049 44.432 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.286 23.930 45.200 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.578 23.673 43.259 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -4.777 22.766 44.188 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -2.453 21.615 46.578 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.142 21.606 46.059 1.00 0.00 H new ATOM 545 N GLU A 35 2.949 23.319 44.873 1.00 0.00 N ATOM 546 CA GLU A 35 3.325 23.017 46.257 1.00 0.00 C ATOM 547 C GLU A 35 2.245 22.149 46.857 1.00 0.00 C ATOM 548 O GLU A 35 1.412 22.614 47.635 1.00 0.00 O ATOM 549 CB GLU A 35 3.522 24.286 47.094 1.00 0.00 C ATOM 550 CG GLU A 35 4.400 25.301 46.366 1.00 0.00 C ATOM 551 CD GLU A 35 4.991 26.296 47.356 1.00 0.00 C ATOM 552 OE1 GLU A 35 4.369 26.523 48.415 1.00 0.00 O ATOM 553 OE2 GLU A 35 6.074 26.847 47.071 1.00 0.00 O ATOM 0 H GLU A 35 3.313 22.650 44.195 1.00 0.00 H new ATOM 0 HA GLU A 35 4.282 22.496 46.258 1.00 0.00 H new ATOM 0 HB2 GLU A 35 2.553 24.733 47.314 1.00 0.00 H new ATOM 0 HB3 GLU A 35 3.978 24.027 48.049 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.201 24.785 45.836 1.00 0.00 H new ATOM 0 HG3 GLU A 35 3.811 25.830 45.616 1.00 0.00 H new ATOM 560 N HIS A 36 2.249 20.882 46.449 1.00 0.00 N ATOM 561 CA HIS A 36 1.256 19.910 46.891 1.00 0.00 C ATOM 562 C HIS A 36 0.879 20.114 48.358 1.00 0.00 C ATOM 563 O HIS A 36 1.632 19.749 49.261 1.00 0.00 O ATOM 564 CB HIS A 36 1.786 18.495 46.683 1.00 0.00 C ATOM 565 CG HIS A 36 0.863 17.640 45.870 1.00 0.00 C ATOM 566 ND1 HIS A 36 1.281 16.543 45.163 1.00 0.00 N ATOM 567 CD2 HIS A 36 -0.475 17.713 45.644 1.00 0.00 C ATOM 568 CE1 HIS A 36 0.276 15.972 44.541 1.00 0.00 C ATOM 569 NE2 HIS A 36 -0.819 16.662 44.813 1.00 0.00 N ATOM 0 H HIS A 36 2.941 20.502 45.803 1.00 0.00 H new ATOM 0 HA HIS A 36 0.357 20.057 46.293 1.00 0.00 H new ATOM 0 HB2 HIS A 36 2.756 18.545 46.189 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.946 18.026 47.654 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.149 18.458 46.042 1.00 0.00 H new ATOM 0 HE1 HIS A 36 0.333 15.093 43.916 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -1.757 16.455 44.469 1.00 0.00 H new ATOM 577 N GLY A 37 -0.290 20.704 48.583 1.00 0.00 N ATOM 578 CA GLY A 37 -0.772 20.966 49.935 1.00 0.00 C ATOM 579 C GLY A 37 -0.685 22.453 50.251 1.00 0.00 C ATOM 580 O GLY A 37 -0.368 22.843 51.375 1.00 0.00 O ATOM 0 H GLY A 37 -0.923 21.011 47.844 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.803 20.627 50.032 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -0.181 20.400 50.655 1.00 0.00 H new ATOM 584 N SER A 38 -0.962 23.280 49.248 1.00 0.00 N ATOM 585 CA SER A 38 -0.910 24.729 49.408 1.00 0.00 C ATOM 586 C SER A 38 -2.280 25.346 49.141 1.00 0.00 C ATOM 587 O SER A 38 -3.304 24.671 49.246 1.00 0.00 O ATOM 588 CB SER A 38 0.126 25.312 48.452 1.00 0.00 C ATOM 589 OG SER A 38 0.474 26.632 48.838 1.00 0.00 O ATOM 0 H SER A 38 -1.226 22.970 48.313 1.00 0.00 H new ATOM 0 HA SER A 38 -0.624 24.962 50.434 1.00 0.00 H new ATOM 0 HB2 SER A 38 1.016 24.683 48.444 1.00 0.00 H new ATOM 0 HB3 SER A 38 -0.270 25.317 47.437 1.00 0.00 H new ATOM 0 HG SER A 38 1.141 26.990 48.215 1.00 0.00 H new ATOM 595 N ASP A 39 -2.294 26.632 48.797 1.00 0.00 N ATOM 596 CA ASP A 39 -3.539 27.339 48.519 1.00 0.00 C ATOM 597 C ASP A 39 -3.633 27.687 47.039 1.00 0.00 C ATOM 598 O ASP A 39 -3.606 28.859 46.663 1.00 0.00 O ATOM 599 CB ASP A 39 -3.613 28.612 49.357 1.00 0.00 C ATOM 600 CG ASP A 39 -5.040 28.849 49.831 1.00 0.00 C ATOM 601 OD1 ASP A 39 -5.950 28.902 48.978 1.00 0.00 O ATOM 602 OD2 ASP A 39 -5.245 28.982 51.056 1.00 0.00 O ATOM 0 H ASP A 39 -1.455 27.205 48.704 1.00 0.00 H new ATOM 0 HA ASP A 39 -4.375 26.689 48.780 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.946 28.530 50.215 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -3.272 29.464 48.768 1.00 0.00 H new ATOM 607 N GLU A 40 -3.744 26.659 46.202 1.00 0.00 N ATOM 608 CA GLU A 40 -3.845 26.842 44.753 1.00 0.00 C ATOM 609 C GLU A 40 -2.481 27.177 44.164 1.00 0.00 C ATOM 610 O GLU A 40 -1.577 27.613 44.876 1.00 0.00 O ATOM 611 CB GLU A 40 -4.840 27.955 44.422 1.00 0.00 C ATOM 612 CG GLU A 40 -5.946 27.454 43.497 1.00 0.00 C ATOM 613 CD GLU A 40 -6.985 28.546 43.279 1.00 0.00 C ATOM 614 OE1 GLU A 40 -6.589 29.715 43.084 1.00 0.00 O ATOM 615 OE2 GLU A 40 -8.194 28.231 43.303 1.00 0.00 O ATOM 0 H GLU A 40 -3.767 25.685 46.503 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.201 25.909 44.315 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -5.279 28.339 45.343 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -4.316 28.785 43.949 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -5.520 27.151 42.540 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.420 26.572 43.929 1.00 0.00 H new ATOM 622 N TRP A 41 -2.340 26.967 42.859 1.00 0.00 N ATOM 623 CA TRP A 41 -1.086 27.244 42.167 1.00 0.00 C ATOM 624 C TRP A 41 -0.603 28.654 42.479 1.00 0.00 C ATOM 625 O TRP A 41 -1.392 29.527 42.842 1.00 0.00 O ATOM 626 CB TRP A 41 -1.276 27.091 40.661 1.00 0.00 C ATOM 627 CG TRP A 41 -1.604 25.687 40.254 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.839 25.100 40.259 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.680 24.687 39.777 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.716 23.813 39.816 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.421 23.527 39.514 1.00 0.00 C ATOM 632 CE3 TRP A 41 0.697 24.660 39.547 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.830 22.369 39.037 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.295 23.503 39.070 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.538 22.366 38.817 1.00 0.00 C ATOM 0 H TRP A 41 -3.081 26.605 42.258 1.00 0.00 H new ATOM 0 HA TRP A 41 -0.338 26.531 42.512 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -2.075 27.755 40.331 1.00 0.00 H new ATOM 0 HB3 TRP A 41 -0.366 27.409 40.151 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -3.760 25.575 40.563 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.491 23.156 39.724 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.295 25.538 39.740 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.422 21.488 38.841 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.360 23.486 38.893 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.019 21.473 38.446 1.00 0.00 H new ATOM 646 N VAL A 42 0.699 28.871 42.328 1.00 0.00 N ATOM 647 CA VAL A 42 1.297 30.176 42.584 1.00 0.00 C ATOM 648 C VAL A 42 2.340 30.487 41.518 1.00 0.00 C ATOM 649 O VAL A 42 3.353 29.796 41.407 1.00 0.00 O ATOM 650 CB VAL A 42 1.939 30.197 43.968 1.00 0.00 C ATOM 651 CG1 VAL A 42 0.876 30.363 45.050 1.00 0.00 C ATOM 652 CG2 VAL A 42 2.748 28.924 44.203 1.00 0.00 C ATOM 0 H VAL A 42 1.363 28.157 42.028 1.00 0.00 H new ATOM 0 HA VAL A 42 0.517 30.936 42.548 1.00 0.00 H new ATOM 0 HB VAL A 42 2.617 31.049 44.019 1.00 0.00 H new ATOM 0 HG11 VAL A 42 1.353 30.376 46.030 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.342 31.300 44.894 1.00 0.00 H new ATOM 0 HG13 VAL A 42 0.173 29.532 45.000 1.00 0.00 H new ATOM 0 HG21 VAL A 42 3.198 28.957 45.195 1.00 0.00 H new ATOM 0 HG22 VAL A 42 2.091 28.057 44.131 1.00 0.00 H new ATOM 0 HG23 VAL A 42 3.533 28.848 43.451 1.00 0.00 H new ATOM 662 N ALA A 43 2.083 31.528 40.731 1.00 0.00 N ATOM 663 CA ALA A 43 2.995 31.931 39.664 1.00 0.00 C ATOM 664 C ALA A 43 4.426 32.014 40.182 1.00 0.00 C ATOM 665 O ALA A 43 4.664 32.427 41.318 1.00 0.00 O ATOM 666 CB ALA A 43 2.569 33.284 39.101 1.00 0.00 C ATOM 0 H ALA A 43 1.249 32.109 40.812 1.00 0.00 H new ATOM 0 HA ALA A 43 2.955 31.182 38.873 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.253 33.579 38.306 1.00 0.00 H new ATOM 0 HB2 ALA A 43 1.558 33.209 38.701 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.591 34.031 39.894 1.00 0.00 H new ATOM 672 N MET A 44 5.376 31.619 39.342 1.00 0.00 N ATOM 673 CA MET A 44 6.787 31.646 39.711 1.00 0.00 C ATOM 674 C MET A 44 7.300 33.078 39.731 1.00 0.00 C ATOM 675 O MET A 44 6.533 34.027 39.562 1.00 0.00 O ATOM 676 CB MET A 44 7.603 30.820 38.720 1.00 0.00 C ATOM 677 CG MET A 44 7.971 29.459 39.302 1.00 0.00 C ATOM 678 SD MET A 44 9.382 29.546 40.416 1.00 0.00 S ATOM 679 CE MET A 44 9.849 27.810 40.506 1.00 0.00 C ATOM 0 H MET A 44 5.194 31.276 38.399 1.00 0.00 H new ATOM 0 HA MET A 44 6.894 31.218 40.708 1.00 0.00 H new ATOM 0 HB2 MET A 44 7.032 30.683 37.802 1.00 0.00 H new ATOM 0 HB3 MET A 44 8.511 31.361 38.453 1.00 0.00 H new ATOM 0 HG2 MET A 44 7.113 29.052 39.838 1.00 0.00 H new ATOM 0 HG3 MET A 44 8.196 28.768 38.489 1.00 0.00 H new ATOM 0 HE1 MET A 44 10.774 27.711 41.074 1.00 0.00 H new ATOM 0 HE2 MET A 44 9.058 27.245 40.999 1.00 0.00 H new ATOM 0 HE3 MET A 44 9.999 27.421 39.499 1.00 0.00 H new ATOM 689 N THR A 45 8.603 33.227 39.936 1.00 0.00 N ATOM 690 CA THR A 45 9.229 34.543 39.977 1.00 0.00 C ATOM 691 C THR A 45 10.630 34.474 39.388 1.00 0.00 C ATOM 692 O THR A 45 11.480 33.727 39.872 1.00 0.00 O ATOM 693 CB THR A 45 9.291 35.046 41.415 1.00 0.00 C ATOM 694 OG1 THR A 45 7.991 35.053 41.984 1.00 0.00 O ATOM 695 CG2 THR A 45 9.894 36.446 41.472 1.00 0.00 C ATOM 0 H THR A 45 9.249 32.450 40.077 1.00 0.00 H new ATOM 0 HA THR A 45 8.632 35.236 39.385 1.00 0.00 H new ATOM 0 HB THR A 45 9.929 34.373 41.988 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.040 35.376 42.908 1.00 0.00 H new ATOM 0 HG21 THR A 45 9.929 36.785 42.507 1.00 0.00 H new ATOM 0 HG22 THR A 45 10.904 36.424 41.063 1.00 0.00 H new ATOM 0 HG23 THR A 45 9.281 37.131 40.886 1.00 0.00 H new ATOM 703 N LYS A 46 10.864 35.254 38.338 1.00 0.00 N ATOM 704 CA LYS A 46 12.165 35.280 37.677 1.00 0.00 C ATOM 705 C LYS A 46 13.210 35.913 38.586 1.00 0.00 C ATOM 706 O LYS A 46 13.758 36.970 38.276 1.00 0.00 O ATOM 707 CB LYS A 46 12.067 36.064 36.373 1.00 0.00 C ATOM 708 CG LYS A 46 11.717 37.525 36.635 1.00 0.00 C ATOM 709 CD LYS A 46 12.739 38.460 35.997 1.00 0.00 C ATOM 710 CE LYS A 46 12.522 38.568 34.491 1.00 0.00 C ATOM 711 NZ LYS A 46 13.529 39.470 33.864 1.00 0.00 N ATOM 0 H LYS A 46 10.170 35.877 37.926 1.00 0.00 H new ATOM 0 HA LYS A 46 12.468 34.256 37.459 1.00 0.00 H new ATOM 0 HB2 LYS A 46 13.014 36.004 35.837 1.00 0.00 H new ATOM 0 HB3 LYS A 46 11.309 35.615 35.731 1.00 0.00 H new ATOM 0 HG2 LYS A 46 10.725 37.741 36.238 1.00 0.00 H new ATOM 0 HG3 LYS A 46 11.676 37.705 37.709 1.00 0.00 H new ATOM 0 HD2 LYS A 46 12.664 39.449 36.450 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.746 38.093 36.197 1.00 0.00 H new ATOM 0 HE2 LYS A 46 12.586 37.578 34.040 1.00 0.00 H new ATOM 0 HE3 LYS A 46 11.519 38.945 34.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 13.357 39.524 32.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 13.450 40.420 34.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 14.484 39.096 34.035 1.00 0.00 H new ATOM 725 N GLY A 47 13.482 35.259 39.711 1.00 0.00 N ATOM 726 CA GLY A 47 14.462 35.758 40.667 1.00 0.00 C ATOM 727 C GLY A 47 15.877 35.585 40.131 1.00 0.00 C ATOM 728 O GLY A 47 16.685 36.512 40.180 1.00 0.00 O ATOM 0 H GLY A 47 13.037 34.382 39.982 1.00 0.00 H new ATOM 0 HA2 GLY A 47 14.272 36.812 40.873 1.00 0.00 H new ATOM 0 HA3 GLY A 47 14.359 35.225 41.612 1.00 0.00 H new ATOM 732 N GLU A 48 16.174 34.392 39.622 1.00 0.00 N ATOM 733 CA GLU A 48 17.493 34.100 39.082 1.00 0.00 C ATOM 734 C GLU A 48 17.685 34.783 37.732 1.00 0.00 C ATOM 735 O GLU A 48 16.834 35.552 37.287 1.00 0.00 O ATOM 736 CB GLU A 48 17.654 32.595 38.930 1.00 0.00 C ATOM 737 CG GLU A 48 18.523 32.017 40.043 1.00 0.00 C ATOM 738 CD GLU A 48 19.980 31.969 39.603 1.00 0.00 C ATOM 739 OE1 GLU A 48 20.675 32.998 39.733 1.00 0.00 O ATOM 740 OE2 GLU A 48 20.424 30.902 39.129 1.00 0.00 O ATOM 0 H GLU A 48 15.517 33.614 39.574 1.00 0.00 H new ATOM 0 HA GLU A 48 18.248 34.481 39.769 1.00 0.00 H new ATOM 0 HB2 GLU A 48 16.674 32.118 38.946 1.00 0.00 H new ATOM 0 HB3 GLU A 48 18.102 32.371 37.962 1.00 0.00 H new ATOM 0 HG2 GLU A 48 18.427 32.626 40.942 1.00 0.00 H new ATOM 0 HG3 GLU A 48 18.180 31.015 40.299 1.00 0.00 H new ATOM 747 N GLY A 49 18.811 34.494 37.085 1.00 0.00 N ATOM 748 CA GLY A 49 19.119 35.077 35.783 1.00 0.00 C ATOM 749 C GLY A 49 18.432 34.296 34.670 1.00 0.00 C ATOM 750 O GLY A 49 17.995 34.869 33.673 1.00 0.00 O ATOM 0 H GLY A 49 19.525 33.859 37.442 1.00 0.00 H new ATOM 0 HA2 GLY A 49 18.795 36.117 35.758 1.00 0.00 H new ATOM 0 HA3 GLY A 49 20.197 35.075 35.624 1.00 0.00 H new ATOM 754 N GLY A 50 18.336 32.983 34.852 1.00 0.00 N ATOM 755 CA GLY A 50 17.697 32.112 33.872 1.00 0.00 C ATOM 756 C GLY A 50 16.996 30.959 34.575 1.00 0.00 C ATOM 757 O GLY A 50 16.830 29.878 34.009 1.00 0.00 O ATOM 0 H GLY A 50 18.695 32.497 35.674 1.00 0.00 H new ATOM 0 HA2 GLY A 50 16.977 32.681 33.283 1.00 0.00 H new ATOM 0 HA3 GLY A 50 18.442 31.725 33.177 1.00 0.00 H new ATOM 761 N VAL A 51 16.591 31.198 35.818 1.00 0.00 N ATOM 762 CA VAL A 51 15.912 30.187 36.616 1.00 0.00 C ATOM 763 C VAL A 51 14.761 30.817 37.389 1.00 0.00 C ATOM 764 O VAL A 51 14.840 31.971 37.809 1.00 0.00 O ATOM 765 CB VAL A 51 16.905 29.547 37.584 1.00 0.00 C ATOM 766 CG1 VAL A 51 16.206 28.570 38.514 1.00 0.00 C ATOM 767 CG2 VAL A 51 18.029 28.853 36.820 1.00 0.00 C ATOM 0 H VAL A 51 16.723 32.089 36.296 1.00 0.00 H new ATOM 0 HA VAL A 51 15.510 29.419 35.955 1.00 0.00 H new ATOM 0 HB VAL A 51 17.341 30.339 38.193 1.00 0.00 H new ATOM 0 HG11 VAL A 51 16.936 28.128 39.193 1.00 0.00 H new ATOM 0 HG12 VAL A 51 15.446 29.097 39.091 1.00 0.00 H new ATOM 0 HG13 VAL A 51 15.734 27.783 37.926 1.00 0.00 H new ATOM 0 HG21 VAL A 51 18.726 28.403 37.527 1.00 0.00 H new ATOM 0 HG22 VAL A 51 17.609 28.076 36.181 1.00 0.00 H new ATOM 0 HG23 VAL A 51 18.556 29.583 36.206 1.00 0.00 H new ATOM 777 N TRP A 52 13.687 30.058 37.566 1.00 0.00 N ATOM 778 CA TRP A 52 12.516 30.546 38.281 1.00 0.00 C ATOM 779 C TRP A 52 12.579 30.141 39.747 1.00 0.00 C ATOM 780 O TRP A 52 12.521 28.957 40.079 1.00 0.00 O ATOM 781 CB TRP A 52 11.260 29.984 37.629 1.00 0.00 C ATOM 782 CG TRP A 52 11.371 29.933 36.136 1.00 0.00 C ATOM 783 CD1 TRP A 52 10.937 28.933 35.319 1.00 0.00 C ATOM 784 CD2 TRP A 52 11.985 30.920 35.282 1.00 0.00 C ATOM 785 NE1 TRP A 52 11.225 29.263 34.024 1.00 0.00 N ATOM 786 CE2 TRP A 52 11.863 30.464 33.964 1.00 0.00 C ATOM 787 CE3 TRP A 52 12.616 32.146 35.505 1.00 0.00 C ATOM 788 CZ2 TRP A 52 12.345 31.189 32.887 1.00 0.00 C ATOM 789 CZ3 TRP A 52 13.104 32.876 34.429 1.00 0.00 C ATOM 790 CH2 TRP A 52 12.967 32.401 33.131 1.00 0.00 C ATOM 0 H TRP A 52 13.603 29.101 37.224 1.00 0.00 H new ATOM 0 HA TRP A 52 12.493 31.635 38.232 1.00 0.00 H new ATOM 0 HB2 TRP A 52 11.072 28.981 38.012 1.00 0.00 H new ATOM 0 HB3 TRP A 52 10.403 30.597 37.907 1.00 0.00 H new ATOM 0 HD1 TRP A 52 10.445 28.027 35.642 1.00 0.00 H new ATOM 0 HE1 TRP A 52 10.994 28.688 33.214 1.00 0.00 H new ATOM 0 HE3 TRP A 52 12.724 32.525 36.511 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 12.238 30.817 31.879 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 13.595 33.822 34.603 1.00 0.00 H new ATOM 0 HH2 TRP A 52 13.349 32.982 32.305 1.00 0.00 H new ATOM 801 N THR A 53 12.699 31.134 40.623 1.00 0.00 N ATOM 802 CA THR A 53 12.772 30.886 42.059 1.00 0.00 C ATOM 803 C THR A 53 11.472 31.302 42.734 1.00 0.00 C ATOM 804 O THR A 53 10.852 32.294 42.351 1.00 0.00 O ATOM 805 CB THR A 53 13.941 31.659 42.664 1.00 0.00 C ATOM 806 OG1 THR A 53 13.963 32.983 42.154 1.00 0.00 O ATOM 807 CG2 THR A 53 15.265 30.962 42.366 1.00 0.00 C ATOM 0 H THR A 53 12.748 32.119 40.363 1.00 0.00 H new ATOM 0 HA THR A 53 12.927 29.819 42.221 1.00 0.00 H new ATOM 0 HB THR A 53 13.807 31.693 43.745 1.00 0.00 H new ATOM 0 HG1 THR A 53 14.734 33.092 41.560 1.00 0.00 H new ATOM 0 HG21 THR A 53 16.083 31.531 42.807 1.00 0.00 H new ATOM 0 HG22 THR A 53 15.251 29.958 42.790 1.00 0.00 H new ATOM 0 HG23 THR A 53 15.408 30.898 41.287 1.00 0.00 H new ATOM 815 N PHE A 54 11.064 30.539 43.742 1.00 0.00 N ATOM 816 CA PHE A 54 9.836 30.830 44.473 1.00 0.00 C ATOM 817 C PHE A 54 10.114 30.914 45.968 1.00 0.00 C ATOM 818 O PHE A 54 11.029 30.267 46.477 1.00 0.00 O ATOM 819 CB PHE A 54 8.794 29.751 44.198 1.00 0.00 C ATOM 820 CG PHE A 54 7.426 30.112 44.721 1.00 0.00 C ATOM 821 CD1 PHE A 54 6.633 31.009 44.025 1.00 0.00 C ATOM 822 CD2 PHE A 54 6.964 29.550 45.899 1.00 0.00 C ATOM 823 CE1 PHE A 54 5.377 31.342 44.506 1.00 0.00 C ATOM 824 CE2 PHE A 54 5.708 29.884 46.380 1.00 0.00 C ATOM 825 CZ PHE A 54 4.915 30.780 45.684 1.00 0.00 C ATOM 0 H PHE A 54 11.566 29.714 44.072 1.00 0.00 H new ATOM 0 HA PHE A 54 9.451 31.792 44.134 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.733 29.577 43.124 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.117 28.816 44.655 1.00 0.00 H new ATOM 0 HD1 PHE A 54 6.994 31.449 43.107 1.00 0.00 H new ATOM 0 HD2 PHE A 54 7.582 28.851 46.443 1.00 0.00 H new ATOM 0 HE1 PHE A 54 4.758 32.040 43.962 1.00 0.00 H new ATOM 0 HE2 PHE A 54 5.348 29.445 47.299 1.00 0.00 H new ATOM 0 HZ PHE A 54 3.937 31.041 46.060 1.00 0.00 H new ATOM 835 N ASP A 55 9.318 31.716 46.668 1.00 0.00 N ATOM 836 CA ASP A 55 9.476 31.888 48.108 1.00 0.00 C ATOM 837 C ASP A 55 8.335 31.204 48.852 1.00 0.00 C ATOM 838 O ASP A 55 7.262 31.781 49.027 1.00 0.00 O ATOM 839 CB ASP A 55 9.505 33.374 48.454 1.00 0.00 C ATOM 840 CG ASP A 55 9.927 33.570 49.904 1.00 0.00 C ATOM 841 OD1 ASP A 55 9.164 33.165 50.806 1.00 0.00 O ATOM 842 OD2 ASP A 55 11.019 34.130 50.136 1.00 0.00 O ATOM 0 H ASP A 55 8.556 32.258 46.261 1.00 0.00 H new ATOM 0 HA ASP A 55 10.417 31.431 48.414 1.00 0.00 H new ATOM 0 HB2 ASP A 55 10.197 33.895 47.793 1.00 0.00 H new ATOM 0 HB3 ASP A 55 8.520 33.811 48.292 1.00 0.00 H new ATOM 847 N SER A 56 8.574 29.971 49.288 1.00 0.00 N ATOM 848 CA SER A 56 7.566 29.205 50.014 1.00 0.00 C ATOM 849 C SER A 56 7.196 29.911 51.313 1.00 0.00 C ATOM 850 O SER A 56 7.879 30.843 51.741 1.00 0.00 O ATOM 851 CB SER A 56 8.090 27.804 50.316 1.00 0.00 C ATOM 852 OG SER A 56 7.203 26.820 49.808 1.00 0.00 O ATOM 0 H SER A 56 9.458 29.480 49.151 1.00 0.00 H new ATOM 0 HA SER A 56 6.675 29.126 49.391 1.00 0.00 H new ATOM 0 HB2 SER A 56 9.077 27.675 49.872 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.205 27.677 51.392 1.00 0.00 H new ATOM 0 HG SER A 56 7.591 25.930 49.941 1.00 0.00 H new ATOM 858 N GLU A 57 6.111 29.463 51.936 1.00 0.00 N ATOM 859 CA GLU A 57 5.646 30.051 53.188 1.00 0.00 C ATOM 860 C GLU A 57 5.952 29.125 54.358 1.00 0.00 C ATOM 861 O GLU A 57 6.210 29.581 55.472 1.00 0.00 O ATOM 862 CB GLU A 57 4.144 30.310 53.114 1.00 0.00 C ATOM 863 CG GLU A 57 3.850 31.772 52.795 1.00 0.00 C ATOM 864 CD GLU A 57 3.365 31.910 51.358 1.00 0.00 C ATOM 865 OE1 GLU A 57 3.810 31.117 50.502 1.00 0.00 O ATOM 866 OE2 GLU A 57 2.542 32.810 51.092 1.00 0.00 O ATOM 0 H GLU A 57 5.536 28.693 51.594 1.00 0.00 H new ATOM 0 HA GLU A 57 6.168 30.995 53.343 1.00 0.00 H new ATOM 0 HB2 GLU A 57 3.700 29.672 52.350 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.679 30.042 54.063 1.00 0.00 H new ATOM 0 HG2 GLU A 57 3.094 32.156 53.480 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.748 32.372 52.942 1.00 0.00 H new ATOM 873 N GLU A 58 5.920 27.822 54.100 1.00 0.00 N ATOM 874 CA GLU A 58 6.192 26.830 55.135 1.00 0.00 C ATOM 875 C GLU A 58 7.509 26.115 54.854 1.00 0.00 C ATOM 876 O GLU A 58 7.940 26.017 53.705 1.00 0.00 O ATOM 877 CB GLU A 58 5.051 25.818 55.197 1.00 0.00 C ATOM 878 CG GLU A 58 4.783 25.201 53.828 1.00 0.00 C ATOM 879 CD GLU A 58 3.388 25.577 53.345 1.00 0.00 C ATOM 880 OE1 GLU A 58 2.402 25.072 53.923 1.00 0.00 O ATOM 881 OE2 GLU A 58 3.283 26.377 52.391 1.00 0.00 O ATOM 0 H GLU A 58 5.708 27.428 53.183 1.00 0.00 H new ATOM 0 HA GLU A 58 6.271 27.339 56.096 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.298 25.032 55.911 1.00 0.00 H new ATOM 0 HB3 GLU A 58 4.148 26.307 55.561 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.529 25.547 53.113 1.00 0.00 H new ATOM 0 HG3 GLU A 58 4.876 24.116 53.885 1.00 0.00 H new ATOM 888 N PRO A 59 8.168 25.606 55.909 1.00 0.00 N ATOM 889 CA PRO A 59 9.450 24.893 55.783 1.00 0.00 C ATOM 890 C PRO A 59 9.303 23.557 55.066 1.00 0.00 C ATOM 891 O PRO A 59 10.214 23.111 54.369 1.00 0.00 O ATOM 892 CB PRO A 59 9.886 24.680 57.228 1.00 0.00 C ATOM 893 CG PRO A 59 8.630 24.712 58.020 1.00 0.00 C ATOM 894 CD PRO A 59 7.728 25.680 57.313 1.00 0.00 C ATOM 0 HA PRO A 59 10.170 25.456 55.188 1.00 0.00 H new ATOM 0 HB2 PRO A 59 10.403 23.728 57.347 1.00 0.00 H new ATOM 0 HB3 PRO A 59 10.576 25.460 57.551 1.00 0.00 H new ATOM 0 HG2 PRO A 59 8.176 23.722 58.074 1.00 0.00 H new ATOM 0 HG3 PRO A 59 8.821 25.032 59.044 1.00 0.00 H new ATOM 0 HD2 PRO A 59 6.680 25.401 57.419 1.00 0.00 H new ATOM 0 HD3 PRO A 59 7.832 26.689 57.712 1.00 0.00 H new ATOM 902 N LEU A 60 8.153 22.919 55.248 1.00 0.00 N ATOM 903 CA LEU A 60 7.886 21.628 54.627 1.00 0.00 C ATOM 904 C LEU A 60 7.532 21.802 53.155 1.00 0.00 C ATOM 905 O LEU A 60 6.652 22.589 52.805 1.00 0.00 O ATOM 906 CB LEU A 60 6.747 20.931 55.362 1.00 0.00 C ATOM 907 CG LEU A 60 7.000 20.909 56.867 1.00 0.00 C ATOM 908 CD1 LEU A 60 5.753 21.352 57.627 1.00 0.00 C ATOM 909 CD2 LEU A 60 7.437 19.518 57.318 1.00 0.00 C ATOM 0 H LEU A 60 7.389 23.276 55.822 1.00 0.00 H new ATOM 0 HA LEU A 60 8.785 21.015 54.692 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.808 21.444 55.155 1.00 0.00 H new ATOM 0 HB3 LEU A 60 6.641 19.911 54.992 1.00 0.00 H new ATOM 0 HG LEU A 60 7.805 21.610 57.089 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.953 21.330 58.698 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.486 22.366 57.329 1.00 0.00 H new ATOM 0 HD13 LEU A 60 4.928 20.677 57.398 1.00 0.00 H new ATOM 0 HD21 LEU A 60 7.613 19.523 58.394 1.00 0.00 H new ATOM 0 HD22 LEU A 60 6.655 18.796 57.081 1.00 0.00 H new ATOM 0 HD23 LEU A 60 8.356 19.240 56.802 1.00 0.00 H new ATOM 921 N GLN A 61 8.226 21.061 52.298 1.00 0.00 N ATOM 922 CA GLN A 61 7.995 21.125 50.858 1.00 0.00 C ATOM 923 C GLN A 61 8.936 20.171 50.133 1.00 0.00 C ATOM 924 O GLN A 61 10.138 20.148 50.399 1.00 0.00 O ATOM 925 CB GLN A 61 8.209 22.550 50.358 1.00 0.00 C ATOM 926 CG GLN A 61 9.635 23.022 50.623 1.00 0.00 C ATOM 927 CD GLN A 61 9.766 24.505 50.301 1.00 0.00 C ATOM 928 OE1 GLN A 61 9.102 25.344 50.910 1.00 0.00 O ATOM 929 NE2 GLN A 61 10.623 24.829 49.339 1.00 0.00 N ATOM 0 H GLN A 61 8.957 20.406 52.577 1.00 0.00 H new ATOM 0 HA GLN A 61 6.966 20.828 50.653 1.00 0.00 H new ATOM 0 HB2 GLN A 61 8.001 22.598 49.289 1.00 0.00 H new ATOM 0 HB3 GLN A 61 7.504 23.220 50.850 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.897 22.844 51.666 1.00 0.00 H new ATOM 0 HG3 GLN A 61 10.335 22.447 50.016 1.00 0.00 H new ATOM 0 HE21 GLN A 61 11.152 24.100 48.861 1.00 0.00 H new ATOM 0 HE22 GLN A 61 10.752 25.807 49.079 1.00 0.00 H new ATOM 938 N GLY A 62 8.383 19.382 49.218 1.00 0.00 N ATOM 939 CA GLY A 62 9.175 18.421 48.457 1.00 0.00 C ATOM 940 C GLY A 62 8.747 18.401 46.994 1.00 0.00 C ATOM 941 O GLY A 62 9.464 18.893 46.123 1.00 0.00 O ATOM 0 H GLY A 62 7.390 19.389 48.985 1.00 0.00 H new ATOM 0 HA2 GLY A 62 10.232 18.678 48.527 1.00 0.00 H new ATOM 0 HA3 GLY A 62 9.059 17.426 48.888 1.00 0.00 H new ATOM 945 N PRO A 63 7.564 17.832 46.703 1.00 0.00 N ATOM 946 CA PRO A 63 7.040 17.754 45.332 1.00 0.00 C ATOM 947 C PRO A 63 6.571 19.111 44.822 1.00 0.00 C ATOM 948 O PRO A 63 5.707 19.747 45.425 1.00 0.00 O ATOM 949 CB PRO A 63 5.876 16.777 45.436 1.00 0.00 C ATOM 950 CG PRO A 63 5.434 16.839 46.861 1.00 0.00 C ATOM 951 CD PRO A 63 6.642 17.226 47.681 1.00 0.00 C ATOM 0 HA PRO A 63 7.802 17.432 44.622 1.00 0.00 H new ATOM 0 HB2 PRO A 63 5.067 17.056 44.761 1.00 0.00 H new ATOM 0 HB3 PRO A 63 6.184 15.768 45.164 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.634 17.568 46.985 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.040 15.876 47.185 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.379 17.931 48.470 1.00 0.00 H new ATOM 0 HD3 PRO A 63 7.089 16.358 48.165 1.00 0.00 H new ATOM 959 N PHE A 64 7.152 19.552 43.711 1.00 0.00 N ATOM 960 CA PHE A 64 6.800 20.839 43.120 1.00 0.00 C ATOM 961 C PHE A 64 6.124 20.644 41.771 1.00 0.00 C ATOM 962 O PHE A 64 6.787 20.387 40.766 1.00 0.00 O ATOM 963 CB PHE A 64 8.052 21.692 42.946 1.00 0.00 C ATOM 964 CG PHE A 64 8.823 21.874 44.228 1.00 0.00 C ATOM 965 CD1 PHE A 64 8.230 22.501 45.310 1.00 0.00 C ATOM 966 CD2 PHE A 64 10.125 21.412 44.323 1.00 0.00 C ATOM 967 CE1 PHE A 64 8.940 22.668 46.488 1.00 0.00 C ATOM 968 CE2 PHE A 64 10.835 21.579 45.500 1.00 0.00 C ATOM 969 CZ PHE A 64 10.243 22.206 46.583 1.00 0.00 C ATOM 0 H PHE A 64 7.870 19.037 43.201 1.00 0.00 H new ATOM 0 HA PHE A 64 6.105 21.346 43.790 1.00 0.00 H new ATOM 0 HB2 PHE A 64 8.700 21.229 42.201 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.768 22.670 42.557 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.214 22.860 45.236 1.00 0.00 H new ATOM 0 HD2 PHE A 64 10.587 20.921 43.479 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.478 23.158 47.332 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.851 21.220 45.573 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.796 22.335 47.501 1.00 0.00 H new ATOM 979 N ASN A 65 4.803 20.779 41.750 1.00 0.00 N ATOM 980 CA ASN A 65 4.042 20.629 40.515 1.00 0.00 C ATOM 981 C ASN A 65 4.111 21.920 39.713 1.00 0.00 C ATOM 982 O ASN A 65 4.005 23.012 40.271 1.00 0.00 O ATOM 983 CB ASN A 65 2.590 20.285 40.831 1.00 0.00 C ATOM 984 CG ASN A 65 2.523 19.111 41.798 1.00 0.00 C ATOM 985 OD1 ASN A 65 3.264 18.137 41.661 1.00 0.00 O ATOM 986 ND2 ASN A 65 1.631 19.202 42.778 1.00 0.00 N ATOM 0 H ASN A 65 4.238 20.992 42.572 1.00 0.00 H new ATOM 0 HA ASN A 65 4.472 19.818 39.927 1.00 0.00 H new ATOM 0 HB2 ASN A 65 2.090 21.151 41.265 1.00 0.00 H new ATOM 0 HB3 ASN A 65 2.059 20.038 39.911 1.00 0.00 H new ATOM 0 HD21 ASN A 65 1.539 18.445 43.456 1.00 0.00 H new ATOM 0 HD22 ASN A 65 1.038 20.028 42.853 1.00 0.00 H new ATOM 993 N PHE A 66 4.302 21.795 38.404 1.00 0.00 N ATOM 994 CA PHE A 66 4.399 22.962 37.536 1.00 0.00 C ATOM 995 C PHE A 66 3.399 22.877 36.390 1.00 0.00 C ATOM 996 O PHE A 66 2.764 21.844 36.175 1.00 0.00 O ATOM 997 CB PHE A 66 5.814 23.073 36.980 1.00 0.00 C ATOM 998 CG PHE A 66 6.840 23.378 38.044 1.00 0.00 C ATOM 999 CD1 PHE A 66 7.138 24.693 38.360 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.488 22.345 38.705 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.081 24.976 39.335 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.431 22.629 39.679 1.00 0.00 C ATOM 1003 CZ PHE A 66 8.727 23.944 39.994 1.00 0.00 C ATOM 0 H PHE A 66 4.392 20.900 37.922 1.00 0.00 H new ATOM 0 HA PHE A 66 4.167 23.849 38.126 1.00 0.00 H new ATOM 0 HB2 PHE A 66 6.079 22.139 36.484 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.841 23.855 36.221 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.635 25.499 37.846 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.257 21.319 38.460 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.312 26.002 39.581 1.00 0.00 H new ATOM 0 HE2 PHE A 66 8.936 21.824 40.193 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.462 24.165 40.754 1.00 0.00 H new ATOM 1013 N ARG A 67 3.268 23.978 35.656 1.00 0.00 N ATOM 1014 CA ARG A 67 2.351 24.053 34.523 1.00 0.00 C ATOM 1015 C ARG A 67 2.620 25.322 33.725 1.00 0.00 C ATOM 1016 O ARG A 67 1.716 26.122 33.483 1.00 0.00 O ATOM 1017 CB ARG A 67 0.907 24.042 35.018 1.00 0.00 C ATOM 1018 CG ARG A 67 0.706 25.033 36.159 1.00 0.00 C ATOM 1019 CD ARG A 67 -0.317 26.102 35.787 1.00 0.00 C ATOM 1020 NE ARG A 67 -1.622 25.493 35.550 1.00 0.00 N ATOM 1021 CZ ARG A 67 -2.753 26.155 35.774 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -2.944 27.347 35.228 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -3.694 25.624 36.543 1.00 0.00 N ATOM 0 H ARG A 67 3.790 24.837 35.828 1.00 0.00 H new ATOM 0 HA ARG A 67 2.509 23.188 33.879 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.236 24.290 34.195 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.643 23.039 35.353 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.373 24.502 37.051 1.00 0.00 H new ATOM 0 HG3 ARG A 67 1.657 25.506 36.405 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -0.392 26.838 36.587 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.011 26.634 34.894 1.00 0.00 H new ATOM 0 HE ARG A 67 -1.668 24.535 35.204 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -2.223 27.758 34.635 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.812 27.854 35.401 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.551 24.706 36.964 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -4.561 26.134 36.714 1.00 0.00 H new ATOM 1037 N PHE A 68 3.875 25.502 33.326 1.00 0.00 N ATOM 1038 CA PHE A 68 4.283 26.677 32.561 1.00 0.00 C ATOM 1039 C PHE A 68 3.356 26.906 31.376 1.00 0.00 C ATOM 1040 O PHE A 68 2.533 26.056 31.040 1.00 0.00 O ATOM 1041 CB PHE A 68 5.717 26.506 32.062 1.00 0.00 C ATOM 1042 CG PHE A 68 6.035 25.091 31.642 1.00 0.00 C ATOM 1043 CD1 PHE A 68 5.195 24.420 30.768 1.00 0.00 C ATOM 1044 CD2 PHE A 68 7.168 24.461 32.132 1.00 0.00 C ATOM 1045 CE1 PHE A 68 5.488 23.121 30.385 1.00 0.00 C ATOM 1046 CE2 PHE A 68 7.460 23.163 31.748 1.00 0.00 C ATOM 1047 CZ PHE A 68 6.620 22.493 30.875 1.00 0.00 C ATOM 0 H PHE A 68 4.631 24.846 33.521 1.00 0.00 H new ATOM 0 HA PHE A 68 4.226 27.544 33.219 1.00 0.00 H new ATOM 0 HB2 PHE A 68 5.883 27.175 31.218 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.407 26.809 32.849 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.312 24.910 30.385 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.823 24.983 32.814 1.00 0.00 H new ATOM 0 HE1 PHE A 68 4.833 22.598 29.704 1.00 0.00 H new ATOM 0 HE2 PHE A 68 8.344 22.673 32.130 1.00 0.00 H new ATOM 0 HZ PHE A 68 6.848 21.480 30.576 1.00 0.00 H new ATOM 1057 N LEU A 69 3.512 28.062 30.742 1.00 0.00 N ATOM 1058 CA LEU A 69 2.707 28.423 29.578 1.00 0.00 C ATOM 1059 C LEU A 69 3.630 28.765 28.417 1.00 0.00 C ATOM 1060 O LEU A 69 3.745 29.927 28.031 1.00 0.00 O ATOM 1061 CB LEU A 69 1.810 29.622 29.897 1.00 0.00 C ATOM 1062 CG LEU A 69 1.291 29.576 31.334 1.00 0.00 C ATOM 1063 CD1 LEU A 69 0.575 30.877 31.686 1.00 0.00 C ATOM 1064 CD2 LEU A 69 0.358 28.385 31.528 1.00 0.00 C ATOM 0 H LEU A 69 4.193 28.771 31.016 1.00 0.00 H new ATOM 0 HA LEU A 69 2.072 27.579 29.309 1.00 0.00 H new ATOM 0 HB2 LEU A 69 2.368 30.545 29.742 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.967 29.639 29.206 1.00 0.00 H new ATOM 0 HG LEU A 69 2.143 29.459 32.003 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.212 30.826 32.713 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.268 31.712 31.587 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -0.268 31.023 31.010 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.002 28.368 32.557 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.490 28.473 30.849 1.00 0.00 H new ATOM 0 HD23 LEU A 69 0.898 27.462 31.317 1.00 0.00 H new ATOM 1076 N THR A 70 4.299 27.741 27.879 1.00 0.00 N ATOM 1077 CA THR A 70 5.248 27.896 26.766 1.00 0.00 C ATOM 1078 C THR A 70 4.834 29.007 25.804 1.00 0.00 C ATOM 1079 O THR A 70 3.651 29.190 25.518 1.00 0.00 O ATOM 1080 CB THR A 70 5.367 26.580 26.007 1.00 0.00 C ATOM 1081 OG1 THR A 70 4.077 26.105 25.658 1.00 0.00 O ATOM 1082 CG2 THR A 70 6.100 25.537 26.845 1.00 0.00 C ATOM 0 H THR A 70 4.200 26.778 28.202 1.00 0.00 H new ATOM 0 HA THR A 70 6.212 28.173 27.193 1.00 0.00 H new ATOM 0 HB THR A 70 5.942 26.756 25.098 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.673 25.658 26.431 1.00 0.00 H new ATOM 0 HG21 THR A 70 6.174 24.606 26.284 1.00 0.00 H new ATOM 0 HG22 THR A 70 7.101 25.898 27.081 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.550 25.361 27.769 1.00 0.00 H new ATOM 1090 N GLU A 71 5.826 29.744 25.311 1.00 0.00 N ATOM 1091 CA GLU A 71 5.586 30.842 24.381 1.00 0.00 C ATOM 1092 C GLU A 71 4.768 30.361 23.189 1.00 0.00 C ATOM 1093 O GLU A 71 3.670 30.858 22.937 1.00 0.00 O ATOM 1094 CB GLU A 71 6.918 31.415 23.903 1.00 0.00 C ATOM 1095 CG GLU A 71 7.792 31.840 25.081 1.00 0.00 C ATOM 1096 CD GLU A 71 7.701 33.346 25.285 1.00 0.00 C ATOM 1097 OE1 GLU A 71 6.583 33.894 25.187 1.00 0.00 O ATOM 1098 OE2 GLU A 71 8.749 33.977 25.542 1.00 0.00 O ATOM 0 H GLU A 71 6.809 29.599 25.542 1.00 0.00 H new ATOM 0 HA GLU A 71 5.024 31.621 24.896 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.444 30.670 23.307 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.736 32.272 23.254 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.473 31.323 25.986 1.00 0.00 H new ATOM 0 HG3 GLU A 71 8.827 31.552 24.898 1.00 0.00 H new ATOM 1105 N LYS A 72 5.309 29.393 22.457 1.00 0.00 N ATOM 1106 CA LYS A 72 4.628 28.844 21.288 1.00 0.00 C ATOM 1107 C LYS A 72 4.485 27.333 21.416 1.00 0.00 C ATOM 1108 O LYS A 72 5.232 26.575 20.798 1.00 0.00 O ATOM 1109 CB LYS A 72 5.409 29.185 20.022 1.00 0.00 C ATOM 1110 CG LYS A 72 4.512 29.127 18.788 1.00 0.00 C ATOM 1111 CD LYS A 72 4.722 27.828 18.014 1.00 0.00 C ATOM 1112 CE LYS A 72 4.028 27.876 16.655 1.00 0.00 C ATOM 1113 NZ LYS A 72 3.573 26.522 16.230 1.00 0.00 N ATOM 0 H LYS A 72 6.217 28.972 22.652 1.00 0.00 H new ATOM 0 HA LYS A 72 3.633 29.286 21.226 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.840 30.182 20.115 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.239 28.488 19.905 1.00 0.00 H new ATOM 0 HG2 LYS A 72 3.468 29.209 19.090 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.724 29.978 18.140 1.00 0.00 H new ATOM 0 HD2 LYS A 72 5.789 27.653 17.874 1.00 0.00 H new ATOM 0 HD3 LYS A 72 4.335 26.990 18.593 1.00 0.00 H new ATOM 0 HE2 LYS A 72 3.173 28.550 16.705 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.711 28.283 15.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.106 26.588 15.303 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.393 25.886 16.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.902 26.146 16.930 1.00 0.00 H new ATOM 1127 N GLY A 73 3.520 26.900 22.221 1.00 0.00 N ATOM 1128 CA GLY A 73 3.278 25.476 22.428 1.00 0.00 C ATOM 1129 C GLY A 73 1.985 25.255 23.201 1.00 0.00 C ATOM 1130 O GLY A 73 0.894 25.302 22.633 1.00 0.00 O ATOM 0 H GLY A 73 2.893 27.514 22.741 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.223 24.968 21.465 1.00 0.00 H new ATOM 0 HA3 GLY A 73 4.113 25.036 22.973 1.00 0.00 H new ATOM 1134 N MET A 74 2.114 25.012 24.501 1.00 0.00 N ATOM 1135 CA MET A 74 0.956 24.781 25.358 1.00 0.00 C ATOM 1136 C MET A 74 1.403 24.513 26.788 1.00 0.00 C ATOM 1137 O MET A 74 2.597 24.395 27.065 1.00 0.00 O ATOM 1138 CB MET A 74 0.150 23.597 24.835 1.00 0.00 C ATOM 1139 CG MET A 74 1.038 22.374 24.623 1.00 0.00 C ATOM 1140 SD MET A 74 0.441 20.928 25.512 1.00 0.00 S ATOM 1141 CE MET A 74 -0.591 20.158 24.254 1.00 0.00 C ATOM 0 H MET A 74 3.011 24.970 24.985 1.00 0.00 H new ATOM 0 HA MET A 74 0.329 25.672 25.348 1.00 0.00 H new ATOM 0 HB2 MET A 74 -0.644 23.355 25.541 1.00 0.00 H new ATOM 0 HB3 MET A 74 -0.331 23.868 23.895 1.00 0.00 H new ATOM 0 HG2 MET A 74 1.090 22.146 23.558 1.00 0.00 H new ATOM 0 HG3 MET A 74 2.052 22.604 24.949 1.00 0.00 H new ATOM 0 HE1 MET A 74 -1.034 19.246 24.655 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.383 20.847 23.961 1.00 0.00 H new ATOM 0 HE3 MET A 74 0.018 19.914 23.383 1.00 0.00 H new ATOM 1151 N LYS A 75 0.438 24.418 27.695 1.00 0.00 N ATOM 1152 CA LYS A 75 0.730 24.162 29.101 1.00 0.00 C ATOM 1153 C LYS A 75 0.411 22.716 29.453 1.00 0.00 C ATOM 1154 O LYS A 75 0.035 21.923 28.588 1.00 0.00 O ATOM 1155 CB LYS A 75 -0.085 25.104 29.982 1.00 0.00 C ATOM 1156 CG LYS A 75 -1.549 25.134 29.553 1.00 0.00 C ATOM 1157 CD LYS A 75 -1.846 26.354 28.686 1.00 0.00 C ATOM 1158 CE LYS A 75 -3.218 26.246 28.027 1.00 0.00 C ATOM 1159 NZ LYS A 75 -3.783 27.593 27.728 1.00 0.00 N ATOM 0 H LYS A 75 -0.555 24.514 27.482 1.00 0.00 H new ATOM 0 HA LYS A 75 1.791 24.339 29.275 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -0.015 24.785 31.022 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.333 26.109 29.928 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.787 24.225 29.000 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.189 25.147 30.435 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.804 27.256 29.297 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.078 26.453 27.918 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.137 25.671 27.105 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -3.897 25.702 28.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.716 27.487 27.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.882 28.132 28.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -3.145 28.101 27.083 1.00 0.00 H new ATOM 1173 N ASN A 76 0.563 22.378 30.727 1.00 0.00 N ATOM 1174 CA ASN A 76 0.292 21.027 31.205 1.00 0.00 C ATOM 1175 C ASN A 76 0.530 20.948 32.706 1.00 0.00 C ATOM 1176 O ASN A 76 0.783 21.961 33.354 1.00 0.00 O ATOM 1177 CB ASN A 76 1.188 20.025 30.481 1.00 0.00 C ATOM 1178 CG ASN A 76 0.443 18.715 30.265 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -0.160 18.172 31.191 1.00 0.00 O ATOM 1180 ND2 ASN A 76 0.485 18.205 29.040 1.00 0.00 N ATOM 0 H ASN A 76 0.874 23.024 31.452 1.00 0.00 H new ATOM 0 HA ASN A 76 -0.750 20.782 30.998 1.00 0.00 H new ATOM 0 HB2 ASN A 76 1.504 20.435 29.522 1.00 0.00 H new ATOM 0 HB3 ASN A 76 2.092 19.846 31.064 1.00 0.00 H new ATOM 0 HD21 ASN A 76 0.005 17.328 28.836 1.00 0.00 H new ATOM 0 HD22 ASN A 76 0.997 18.690 28.303 1.00 0.00 H new ATOM 1187 N VAL A 77 0.446 19.742 33.256 1.00 0.00 N ATOM 1188 CA VAL A 77 0.652 19.543 34.685 1.00 0.00 C ATOM 1189 C VAL A 77 1.680 18.444 34.927 1.00 0.00 C ATOM 1190 O VAL A 77 1.554 17.335 34.407 1.00 0.00 O ATOM 1191 CB VAL A 77 -0.674 19.185 35.353 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -0.469 18.865 36.831 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -1.673 20.326 35.190 1.00 0.00 C ATOM 0 H VAL A 77 0.237 18.890 32.736 1.00 0.00 H new ATOM 0 HA VAL A 77 1.031 20.468 35.119 1.00 0.00 H new ATOM 0 HB VAL A 77 -1.074 18.296 34.865 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -1.427 18.613 37.285 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.212 18.020 36.929 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.045 19.733 37.336 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -2.614 20.057 35.671 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.273 21.228 35.653 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.847 20.509 34.130 1.00 0.00 H new ATOM 1203 N PHE A 78 2.694 18.761 35.724 1.00 0.00 N ATOM 1204 CA PHE A 78 3.747 17.806 36.047 1.00 0.00 C ATOM 1205 C PHE A 78 3.675 17.435 37.521 1.00 0.00 C ATOM 1206 O PHE A 78 3.727 18.302 38.393 1.00 0.00 O ATOM 1207 CB PHE A 78 5.110 18.404 35.719 1.00 0.00 C ATOM 1208 CG PHE A 78 5.184 18.925 34.307 1.00 0.00 C ATOM 1209 CD1 PHE A 78 5.466 18.060 33.263 1.00 0.00 C ATOM 1210 CD2 PHE A 78 4.961 20.268 34.051 1.00 0.00 C ATOM 1211 CE1 PHE A 78 5.524 18.536 31.965 1.00 0.00 C ATOM 1212 CE2 PHE A 78 5.021 20.745 32.752 1.00 0.00 C ATOM 1213 CZ PHE A 78 5.302 19.879 31.709 1.00 0.00 C ATOM 0 H PHE A 78 2.809 19.676 36.160 1.00 0.00 H new ATOM 0 HA PHE A 78 3.607 16.905 35.450 1.00 0.00 H new ATOM 0 HB2 PHE A 78 5.325 19.215 36.414 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.881 17.647 35.865 1.00 0.00 H new ATOM 0 HD1 PHE A 78 5.641 17.013 33.462 1.00 0.00 H new ATOM 0 HD2 PHE A 78 4.740 20.943 34.864 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.742 17.860 31.151 1.00 0.00 H new ATOM 0 HE2 PHE A 78 4.849 21.792 32.553 1.00 0.00 H new ATOM 0 HZ PHE A 78 5.348 20.251 30.696 1.00 0.00 H new ATOM 1223 N ASP A 79 3.545 16.142 37.792 1.00 0.00 N ATOM 1224 CA ASP A 79 3.454 15.655 39.164 1.00 0.00 C ATOM 1225 C ASP A 79 4.671 14.813 39.520 1.00 0.00 C ATOM 1226 O ASP A 79 5.284 14.189 38.655 1.00 0.00 O ATOM 1227 CB ASP A 79 2.183 14.828 39.337 1.00 0.00 C ATOM 1228 CG ASP A 79 1.061 15.697 39.891 1.00 0.00 C ATOM 1229 OD1 ASP A 79 0.647 16.649 39.197 1.00 0.00 O ATOM 1230 OD2 ASP A 79 0.599 15.424 41.018 1.00 0.00 O ATOM 0 H ASP A 79 3.500 15.412 37.081 1.00 0.00 H new ATOM 0 HA ASP A 79 3.421 16.514 39.834 1.00 0.00 H new ATOM 0 HB2 ASP A 79 1.884 14.403 38.379 1.00 0.00 H new ATOM 0 HB3 ASP A 79 2.373 13.993 40.011 1.00 0.00 H new ATOM 1235 N ASP A 80 5.012 14.799 40.805 1.00 0.00 N ATOM 1236 CA ASP A 80 6.154 14.033 41.292 1.00 0.00 C ATOM 1237 C ASP A 80 7.443 14.505 40.630 1.00 0.00 C ATOM 1238 O ASP A 80 8.418 13.757 40.552 1.00 0.00 O ATOM 1239 CB ASP A 80 5.941 12.548 41.015 1.00 0.00 C ATOM 1240 CG ASP A 80 6.918 11.715 41.833 1.00 0.00 C ATOM 1241 OD1 ASP A 80 7.368 12.196 42.894 1.00 0.00 O ATOM 1242 OD2 ASP A 80 7.232 10.581 41.412 1.00 0.00 O ATOM 0 H ASP A 80 4.511 15.312 41.531 1.00 0.00 H new ATOM 0 HA ASP A 80 6.241 14.190 42.367 1.00 0.00 H new ATOM 0 HB2 ASP A 80 4.917 12.268 41.262 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.079 12.345 39.953 1.00 0.00 H new ATOM 1247 N VAL A 81 7.449 15.749 40.160 1.00 0.00 N ATOM 1248 CA VAL A 81 8.629 16.312 39.513 1.00 0.00 C ATOM 1249 C VAL A 81 9.827 16.208 40.454 1.00 0.00 C ATOM 1250 O VAL A 81 10.658 15.313 40.313 1.00 0.00 O ATOM 1251 CB VAL A 81 8.355 17.771 39.109 1.00 0.00 C ATOM 1252 CG1 VAL A 81 9.646 18.524 38.784 1.00 0.00 C ATOM 1253 CG2 VAL A 81 7.414 17.811 37.908 1.00 0.00 C ATOM 0 H VAL A 81 6.653 16.384 40.215 1.00 0.00 H new ATOM 0 HA VAL A 81 8.859 15.751 38.607 1.00 0.00 H new ATOM 0 HB VAL A 81 7.887 18.267 39.959 1.00 0.00 H new ATOM 0 HG11 VAL A 81 9.408 19.550 38.504 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.295 18.528 39.660 1.00 0.00 H new ATOM 0 HG13 VAL A 81 10.156 18.031 37.957 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.225 18.847 37.628 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.872 17.286 37.069 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.472 17.328 38.168 1.00 0.00 H new ATOM 1263 N VAL A 82 9.908 17.122 41.414 1.00 0.00 N ATOM 1264 CA VAL A 82 11.006 17.124 42.377 1.00 0.00 C ATOM 1265 C VAL A 82 10.676 16.223 43.564 1.00 0.00 C ATOM 1266 O VAL A 82 9.546 16.216 44.051 1.00 0.00 O ATOM 1267 CB VAL A 82 11.265 18.544 42.866 1.00 0.00 C ATOM 1268 CG1 VAL A 82 12.461 18.572 43.814 1.00 0.00 C ATOM 1269 CG2 VAL A 82 11.493 19.485 41.687 1.00 0.00 C ATOM 0 H VAL A 82 9.228 17.871 41.547 1.00 0.00 H new ATOM 0 HA VAL A 82 11.901 16.743 41.885 1.00 0.00 H new ATOM 0 HB VAL A 82 10.385 18.886 43.411 1.00 0.00 H new ATOM 0 HG11 VAL A 82 12.632 19.593 44.154 1.00 0.00 H new ATOM 0 HG12 VAL A 82 12.259 17.933 44.673 1.00 0.00 H new ATOM 0 HG13 VAL A 82 13.347 18.210 43.293 1.00 0.00 H new ATOM 0 HG21 VAL A 82 11.676 20.494 42.057 1.00 0.00 H new ATOM 0 HG22 VAL A 82 12.356 19.147 41.113 1.00 0.00 H new ATOM 0 HG23 VAL A 82 10.610 19.488 41.048 1.00 0.00 H new ATOM 1279 N PRO A 83 11.664 15.450 44.050 1.00 0.00 N ATOM 1280 CA PRO A 83 11.472 14.541 45.195 1.00 0.00 C ATOM 1281 C PRO A 83 11.331 15.301 46.511 1.00 0.00 C ATOM 1282 O PRO A 83 11.269 16.530 46.524 1.00 0.00 O ATOM 1283 CB PRO A 83 12.734 13.689 45.202 1.00 0.00 C ATOM 1284 CG PRO A 83 13.771 14.524 44.525 1.00 0.00 C ATOM 1285 CD PRO A 83 13.043 15.395 43.533 1.00 0.00 C ATOM 0 HA PRO A 83 10.558 13.955 45.100 1.00 0.00 H new ATOM 0 HB2 PRO A 83 13.034 13.437 46.219 1.00 0.00 H new ATOM 0 HB3 PRO A 83 12.578 12.749 44.673 1.00 0.00 H new ATOM 0 HG2 PRO A 83 14.313 15.132 45.250 1.00 0.00 H new ATOM 0 HG3 PRO A 83 14.507 13.896 44.022 1.00 0.00 H new ATOM 0 HD2 PRO A 83 13.487 16.389 43.474 1.00 0.00 H new ATOM 0 HD3 PRO A 83 13.076 14.971 42.530 1.00 0.00 H new ATOM 1293 N GLU A 84 11.287 14.562 47.616 1.00 0.00 N ATOM 1294 CA GLU A 84 11.159 15.169 48.938 1.00 0.00 C ATOM 1295 C GLU A 84 12.386 16.018 49.244 1.00 0.00 C ATOM 1296 O GLU A 84 12.325 17.247 49.215 1.00 0.00 O ATOM 1297 CB GLU A 84 10.997 14.085 50.002 1.00 0.00 C ATOM 1298 CG GLU A 84 9.683 13.329 49.826 1.00 0.00 C ATOM 1299 CD GLU A 84 9.920 12.026 49.075 1.00 0.00 C ATOM 1300 OE1 GLU A 84 10.996 11.883 48.457 1.00 0.00 O ATOM 1301 OE2 GLU A 84 9.031 11.150 49.107 1.00 0.00 O ATOM 0 H GLU A 84 11.338 13.543 47.623 1.00 0.00 H new ATOM 0 HA GLU A 84 10.275 15.807 48.947 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.832 13.387 49.943 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.029 14.537 50.993 1.00 0.00 H new ATOM 0 HG2 GLU A 84 9.242 13.120 50.801 1.00 0.00 H new ATOM 0 HG3 GLU A 84 8.970 13.947 49.280 1.00 0.00 H new ATOM 1308 N LYS A 85 13.502 15.355 49.531 1.00 0.00 N ATOM 1309 CA LYS A 85 14.749 16.049 49.835 1.00 0.00 C ATOM 1310 C LYS A 85 15.596 16.177 48.575 1.00 0.00 C ATOM 1311 O LYS A 85 16.603 15.487 48.417 1.00 0.00 O ATOM 1312 CB LYS A 85 15.522 15.288 50.908 1.00 0.00 C ATOM 1313 CG LYS A 85 15.155 15.780 52.306 1.00 0.00 C ATOM 1314 CD LYS A 85 14.621 14.641 53.170 1.00 0.00 C ATOM 1315 CE LYS A 85 14.563 15.042 54.641 1.00 0.00 C ATOM 1316 NZ LYS A 85 15.927 15.124 55.236 1.00 0.00 N ATOM 0 H LYS A 85 13.568 14.338 49.559 1.00 0.00 H new ATOM 0 HA LYS A 85 14.516 17.047 50.207 1.00 0.00 H new ATOM 0 HB2 LYS A 85 15.308 14.222 50.827 1.00 0.00 H new ATOM 0 HB3 LYS A 85 16.593 15.412 50.745 1.00 0.00 H new ATOM 0 HG2 LYS A 85 16.032 16.220 52.781 1.00 0.00 H new ATOM 0 HG3 LYS A 85 14.404 16.567 52.232 1.00 0.00 H new ATOM 0 HD2 LYS A 85 13.625 14.358 52.828 1.00 0.00 H new ATOM 0 HD3 LYS A 85 15.258 13.764 53.055 1.00 0.00 H new ATOM 0 HE2 LYS A 85 14.064 16.006 54.738 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.966 14.317 55.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 15.853 15.145 56.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 16.483 14.294 54.946 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 16.399 15.990 54.905 1.00 0.00 H new ATOM 1330 N TYR A 86 15.173 17.060 47.677 1.00 0.00 N ATOM 1331 CA TYR A 86 15.881 17.281 46.419 1.00 0.00 C ATOM 1332 C TYR A 86 17.358 17.556 46.668 1.00 0.00 C ATOM 1333 O TYR A 86 17.754 17.947 47.766 1.00 0.00 O ATOM 1334 CB TYR A 86 15.255 18.455 45.673 1.00 0.00 C ATOM 1335 CG TYR A 86 15.270 19.734 46.473 1.00 0.00 C ATOM 1336 CD1 TYR A 86 16.430 20.484 46.562 1.00 0.00 C ATOM 1337 CD2 TYR A 86 14.122 20.160 47.120 1.00 0.00 C ATOM 1338 CE1 TYR A 86 16.442 21.658 47.297 1.00 0.00 C ATOM 1339 CE2 TYR A 86 14.136 21.334 47.855 1.00 0.00 C ATOM 1340 CZ TYR A 86 15.296 22.077 47.939 1.00 0.00 C ATOM 1341 OH TYR A 86 15.309 23.243 48.669 1.00 0.00 O ATOM 0 H TYR A 86 14.340 17.637 47.797 1.00 0.00 H new ATOM 0 HA TYR A 86 15.797 16.378 45.814 1.00 0.00 H new ATOM 0 HB2 TYR A 86 15.791 18.612 44.737 1.00 0.00 H new ATOM 0 HB3 TYR A 86 14.226 18.207 45.413 1.00 0.00 H new ATOM 0 HD1 TYR A 86 17.326 20.154 46.058 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.216 19.577 47.051 1.00 0.00 H new ATOM 0 HE1 TYR A 86 17.347 22.244 47.367 1.00 0.00 H new ATOM 0 HE2 TYR A 86 13.242 21.667 48.361 1.00 0.00 H new ATOM 0 HH TYR A 86 14.422 23.396 49.057 1.00 0.00 H new ATOM 1351 N THR A 87 18.167 17.352 45.634 1.00 0.00 N ATOM 1352 CA THR A 87 19.605 17.579 45.723 1.00 0.00 C ATOM 1353 C THR A 87 20.062 18.489 44.591 1.00 0.00 C ATOM 1354 O THR A 87 20.068 18.091 43.426 1.00 0.00 O ATOM 1355 CB THR A 87 20.350 16.249 45.652 1.00 0.00 C ATOM 1356 OG1 THR A 87 19.483 15.187 46.022 1.00 0.00 O ATOM 1357 CG2 THR A 87 21.575 16.264 46.561 1.00 0.00 C ATOM 0 H THR A 87 17.849 17.028 44.720 1.00 0.00 H new ATOM 0 HA THR A 87 19.826 18.060 46.676 1.00 0.00 H new ATOM 0 HB THR A 87 20.686 16.097 44.626 1.00 0.00 H new ATOM 0 HG1 THR A 87 18.871 14.991 45.282 1.00 0.00 H new ATOM 0 HG21 THR A 87 22.090 15.306 46.494 1.00 0.00 H new ATOM 0 HG22 THR A 87 22.250 17.061 46.249 1.00 0.00 H new ATOM 0 HG23 THR A 87 21.262 16.436 47.591 1.00 0.00 H new ATOM 1365 N ILE A 88 20.440 19.715 44.939 1.00 0.00 N ATOM 1366 CA ILE A 88 20.896 20.691 43.952 1.00 0.00 C ATOM 1367 C ILE A 88 21.928 20.071 43.016 1.00 0.00 C ATOM 1368 O ILE A 88 23.044 19.754 43.429 1.00 0.00 O ATOM 1369 CB ILE A 88 21.498 21.900 44.660 1.00 0.00 C ATOM 1370 CG1 ILE A 88 20.489 22.506 45.631 1.00 0.00 C ATOM 1371 CG2 ILE A 88 21.955 22.944 43.647 1.00 0.00 C ATOM 1372 CD1 ILE A 88 20.848 22.178 47.077 1.00 0.00 C ATOM 0 H ILE A 88 20.440 20.058 45.900 1.00 0.00 H new ATOM 0 HA ILE A 88 20.039 21.009 43.358 1.00 0.00 H new ATOM 0 HB ILE A 88 22.368 21.568 45.226 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.457 23.587 45.498 1.00 0.00 H new ATOM 0 HG13 ILE A 88 19.492 22.127 45.406 1.00 0.00 H new ATOM 0 HG21 ILE A 88 22.381 23.799 44.172 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.708 22.509 42.991 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.102 23.272 43.053 1.00 0.00 H new ATOM 0 HD11 ILE A 88 20.111 22.623 47.745 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.855 21.097 47.214 1.00 0.00 H new ATOM 0 HD13 ILE A 88 21.835 22.579 47.307 1.00 0.00 H new ATOM 1384 N GLY A 89 21.548 19.902 41.754 1.00 0.00 N ATOM 1385 CA GLY A 89 22.438 19.320 40.755 1.00 0.00 C ATOM 1386 C GLY A 89 21.952 17.938 40.340 1.00 0.00 C ATOM 1387 O GLY A 89 22.695 16.959 40.417 1.00 0.00 O ATOM 0 H GLY A 89 20.628 20.160 41.398 1.00 0.00 H new ATOM 0 HA2 GLY A 89 22.488 19.971 39.882 1.00 0.00 H new ATOM 0 HA3 GLY A 89 23.448 19.250 41.158 1.00 0.00 H new ATOM 1391 N ALA A 90 20.701 17.863 39.899 1.00 0.00 N ATOM 1392 CA ALA A 90 20.114 16.599 39.470 1.00 0.00 C ATOM 1393 C ALA A 90 18.712 16.823 38.918 1.00 0.00 C ATOM 1394 O ALA A 90 17.891 17.501 39.537 1.00 0.00 O ATOM 1395 CB ALA A 90 20.061 15.624 40.643 1.00 0.00 C ATOM 0 H ALA A 90 20.073 18.664 39.829 1.00 0.00 H new ATOM 0 HA ALA A 90 20.736 16.177 38.681 1.00 0.00 H new ATOM 0 HB1 ALA A 90 19.621 14.683 40.314 1.00 0.00 H new ATOM 0 HB2 ALA A 90 21.071 15.444 41.012 1.00 0.00 H new ATOM 0 HB3 ALA A 90 19.453 16.049 41.442 1.00 0.00 H new ATOM 1401 N THR A 91 18.443 16.249 37.750 1.00 0.00 N ATOM 1402 CA THR A 91 17.138 16.382 37.110 1.00 0.00 C ATOM 1403 C THR A 91 16.164 15.361 37.686 1.00 0.00 C ATOM 1404 O THR A 91 16.551 14.241 38.017 1.00 0.00 O ATOM 1405 CB THR A 91 17.275 16.178 35.604 1.00 0.00 C ATOM 1406 OG1 THR A 91 18.264 17.052 35.083 1.00 0.00 O ATOM 1407 CG2 THR A 91 15.943 16.419 34.901 1.00 0.00 C ATOM 0 H THR A 91 19.113 15.686 37.226 1.00 0.00 H new ATOM 0 HA THR A 91 16.752 17.383 37.301 1.00 0.00 H new ATOM 0 HB THR A 91 17.577 15.146 35.423 1.00 0.00 H new ATOM 0 HG1 THR A 91 18.002 17.981 35.253 1.00 0.00 H new ATOM 0 HG21 THR A 91 16.065 16.268 33.828 1.00 0.00 H new ATOM 0 HG22 THR A 91 15.198 15.721 35.283 1.00 0.00 H new ATOM 0 HG23 THR A 91 15.612 17.441 35.088 1.00 0.00 H new ATOM 1415 N TYR A 92 14.898 15.752 37.805 1.00 0.00 N ATOM 1416 CA TYR A 92 13.875 14.862 38.344 1.00 0.00 C ATOM 1417 C TYR A 92 12.665 14.802 37.411 1.00 0.00 C ATOM 1418 O TYR A 92 12.560 13.893 36.587 1.00 0.00 O ATOM 1419 CB TYR A 92 13.461 15.327 39.741 1.00 0.00 C ATOM 1420 CG TYR A 92 14.618 15.369 40.705 1.00 0.00 C ATOM 1421 CD1 TYR A 92 15.197 14.192 41.148 1.00 0.00 C ATOM 1422 CD2 TYR A 92 15.105 16.586 41.148 1.00 0.00 C ATOM 1423 CE1 TYR A 92 16.262 14.234 42.032 1.00 0.00 C ATOM 1424 CE2 TYR A 92 16.170 16.627 42.032 1.00 0.00 C ATOM 1425 CZ TYR A 92 16.743 15.451 42.470 1.00 0.00 C ATOM 1426 OH TYR A 92 17.801 15.492 43.348 1.00 0.00 O ATOM 0 H TYR A 92 14.557 16.675 37.537 1.00 0.00 H new ATOM 0 HA TYR A 92 14.290 13.857 38.420 1.00 0.00 H new ATOM 0 HB2 TYR A 92 13.014 16.319 39.672 1.00 0.00 H new ATOM 0 HB3 TYR A 92 12.693 14.658 40.130 1.00 0.00 H new ATOM 0 HD1 TYR A 92 14.818 13.241 40.804 1.00 0.00 H new ATOM 0 HD2 TYR A 92 14.654 17.505 40.804 1.00 0.00 H new ATOM 0 HE1 TYR A 92 16.715 13.317 42.378 1.00 0.00 H new ATOM 0 HE2 TYR A 92 16.551 17.577 42.378 1.00 0.00 H new ATOM 0 HH TYR A 92 18.378 14.713 43.202 1.00 0.00 H new ATOM 1436 N ALA A 93 11.756 15.769 37.536 1.00 0.00 N ATOM 1437 CA ALA A 93 10.560 15.814 36.697 1.00 0.00 C ATOM 1438 C ALA A 93 9.857 14.459 36.691 1.00 0.00 C ATOM 1439 O ALA A 93 10.299 13.520 37.354 1.00 0.00 O ATOM 1440 CB ALA A 93 10.941 16.215 35.276 1.00 0.00 C ATOM 0 H ALA A 93 11.826 16.531 38.210 1.00 0.00 H new ATOM 0 HA ALA A 93 9.873 16.555 37.106 1.00 0.00 H new ATOM 0 HB1 ALA A 93 10.046 16.247 34.655 1.00 0.00 H new ATOM 0 HB2 ALA A 93 11.409 17.199 35.289 1.00 0.00 H new ATOM 0 HB3 ALA A 93 11.640 15.486 34.867 1.00 0.00 H new ATOM 1446 N PRO A 94 8.746 14.338 35.943 1.00 0.00 N ATOM 1447 CA PRO A 94 7.984 13.086 35.860 1.00 0.00 C ATOM 1448 C PRO A 94 8.635 12.080 34.917 1.00 0.00 C ATOM 1449 O PRO A 94 9.436 12.503 34.057 1.00 0.00 O ATOM 1450 CB PRO A 94 6.623 13.519 35.332 1.00 0.00 C ATOM 1451 CG PRO A 94 6.864 14.794 34.588 1.00 0.00 C ATOM 1452 CD PRO A 94 8.140 15.403 35.125 1.00 0.00 C ATOM 0 HA PRO A 94 7.929 12.580 36.824 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.197 12.758 34.678 1.00 0.00 H new ATOM 0 HB3 PRO A 94 5.916 13.670 36.148 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.952 14.602 33.519 1.00 0.00 H new ATOM 0 HG3 PRO A 94 6.027 15.479 34.722 1.00 0.00 H new ATOM 0 HD2 PRO A 94 8.804 15.708 34.316 1.00 0.00 H new ATOM 0 HD3 PRO A 94 7.934 16.292 35.721 1.00 0.00 H new TER 1460 PRO A 94