USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 606 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 72 SER OG : rot -125:sc= 1.03 USER MOD Set 1.2: A 97 THR OG1 : rot -166:sc= 1.5 USER MOD Set 2.1: A 22 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 23 SER OG : rot 180:sc= -0.193 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -160:sc= -0.541 USER MOD Single : A 25 THR OG1 : rot -170:sc= -0.0858 USER MOD Single : A 27 THR OG1 : rot -39:sc= 0.961 USER MOD Single : A 30 SER OG : rot 180:sc= -0.0719 USER MOD Single : A 32 ASN : amide:sc= 0.512 K(o=0.51,f=-6.5!) USER MOD Single : A 37 THR OG1 : rot 172:sc= -0.75 USER MOD Single : A 38 TYR OH : rot 180:sc= -0.242 USER MOD Single : A 39 TYR OH : rot 180:sc= -0.884 USER MOD Single : A 42 GLN : amide:sc= -0.0271 K(o=-0.027,f=-1.5) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= -0.0562 K(o=-0.056,f=-1.1!) USER MOD Single : A 60 THR OG1 : rot 110:sc= 0.438 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0.00342 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.315 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot -90:sc= -0.943 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 ASN : amide:sc= -4.72! C(o=-4.7!,f=-25!) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 121:sc= 0.159 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 16.601 -15.078 1.998 1.00 0.00 N ATOM 60 CA GLY A 7 16.452 -13.856 1.230 1.00 0.00 C ATOM 61 C GLY A 7 16.680 -12.613 2.068 1.00 0.00 C ATOM 62 O GLY A 7 17.182 -12.679 3.191 1.00 0.00 O ATOM 0 HA2 GLY A 7 17.157 -13.865 0.399 1.00 0.00 H new ATOM 0 HA3 GLY A 7 15.452 -13.821 0.799 1.00 0.00 H new ATOM 66 N PRO A 8 16.307 -11.448 1.519 1.00 0.00 N ATOM 67 CA PRO A 8 16.466 -10.163 2.206 1.00 0.00 C ATOM 68 C PRO A 8 15.518 -10.019 3.392 1.00 0.00 C ATOM 69 O PRO A 8 14.685 -10.890 3.644 1.00 0.00 O ATOM 70 CB PRO A 8 16.125 -9.137 1.122 1.00 0.00 C ATOM 71 CG PRO A 8 15.234 -9.866 0.177 1.00 0.00 C ATOM 72 CD PRO A 8 15.702 -11.295 0.185 1.00 0.00 C ATOM 0 HA PRO A 8 17.465 -10.045 2.625 1.00 0.00 H new ATOM 0 HB2 PRO A 8 15.625 -8.266 1.545 1.00 0.00 H new ATOM 0 HB3 PRO A 8 17.024 -8.777 0.621 1.00 0.00 H new ATOM 0 HG2 PRO A 8 14.192 -9.795 0.489 1.00 0.00 H new ATOM 0 HG3 PRO A 8 15.296 -9.441 -0.825 1.00 0.00 H new ATOM 0 HD2 PRO A 8 14.875 -11.990 0.037 1.00 0.00 H new ATOM 0 HD3 PRO A 8 16.425 -11.486 -0.608 1.00 0.00 H new ATOM 80 N LYS A 9 15.650 -8.914 4.118 1.00 0.00 N ATOM 81 CA LYS A 9 14.804 -8.654 5.277 1.00 0.00 C ATOM 82 C LYS A 9 13.709 -7.648 4.937 1.00 0.00 C ATOM 83 O LYS A 9 13.829 -6.856 4.002 1.00 0.00 O ATOM 84 CB LYS A 9 15.648 -8.132 6.442 1.00 0.00 C ATOM 85 CG LYS A 9 16.355 -9.228 7.221 1.00 0.00 C ATOM 86 CD LYS A 9 17.536 -9.789 6.447 1.00 0.00 C ATOM 87 CE LYS A 9 18.313 -10.802 7.273 1.00 0.00 C ATOM 88 NZ LYS A 9 17.793 -12.185 7.086 1.00 0.00 N ATOM 0 H LYS A 9 16.335 -8.184 3.924 1.00 0.00 H new ATOM 0 HA LYS A 9 14.332 -9.592 5.569 1.00 0.00 H new ATOM 0 HB2 LYS A 9 16.392 -7.434 6.057 1.00 0.00 H new ATOM 0 HB3 LYS A 9 15.006 -7.571 7.122 1.00 0.00 H new ATOM 0 HG2 LYS A 9 16.700 -8.832 8.176 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.651 -10.030 7.444 1.00 0.00 H new ATOM 0 HD2 LYS A 9 17.181 -10.261 5.531 1.00 0.00 H new ATOM 0 HD3 LYS A 9 18.198 -8.975 6.151 1.00 0.00 H new ATOM 0 HE2 LYS A 9 19.366 -10.769 6.992 1.00 0.00 H new ATOM 0 HE3 LYS A 9 18.255 -10.532 8.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 18.349 -12.846 7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 16.795 -12.223 7.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 17.871 -12.453 6.084 1.00 0.00 H new ATOM 102 N PRO A 10 12.617 -7.676 5.714 1.00 0.00 N ATOM 103 CA PRO A 10 11.480 -6.771 5.516 1.00 0.00 C ATOM 104 C PRO A 10 11.818 -5.329 5.876 1.00 0.00 C ATOM 105 O PRO A 10 12.626 -5.058 6.765 1.00 0.00 O ATOM 106 CB PRO A 10 10.416 -7.324 6.467 1.00 0.00 C ATOM 107 CG PRO A 10 11.187 -8.034 7.527 1.00 0.00 C ATOM 108 CD PRO A 10 12.406 -8.593 6.847 1.00 0.00 C ATOM 0 HA PRO A 10 11.163 -6.737 4.474 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.808 -6.524 6.889 1.00 0.00 H new ATOM 0 HB3 PRO A 10 9.737 -8.002 5.950 1.00 0.00 H new ATOM 0 HG2 PRO A 10 11.466 -7.352 8.330 1.00 0.00 H new ATOM 0 HG3 PRO A 10 10.592 -8.829 7.977 1.00 0.00 H new ATOM 0 HD2 PRO A 10 13.267 -8.610 7.516 1.00 0.00 H new ATOM 0 HD3 PRO A 10 12.244 -9.617 6.510 1.00 0.00 H new ATOM 116 N PRO A 11 11.187 -4.378 5.170 1.00 0.00 N ATOM 117 CA PRO A 11 11.405 -2.947 5.398 1.00 0.00 C ATOM 118 C PRO A 11 10.829 -2.478 6.730 1.00 0.00 C ATOM 119 O PRO A 11 9.906 -3.091 7.268 1.00 0.00 O ATOM 120 CB PRO A 11 10.665 -2.285 4.233 1.00 0.00 C ATOM 121 CG PRO A 11 9.619 -3.271 3.840 1.00 0.00 C ATOM 122 CD PRO A 11 10.212 -4.629 4.095 1.00 0.00 C ATOM 0 HA PRO A 11 12.465 -2.699 5.443 1.00 0.00 H new ATOM 0 HB2 PRO A 11 10.221 -1.336 4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 11 11.340 -2.073 3.404 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.709 -3.127 4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 11 9.348 -3.155 2.791 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.452 -5.348 4.401 1.00 0.00 H new ATOM 0 HD3 PRO A 11 10.692 -5.032 3.203 1.00 0.00 H new ATOM 130 N ILE A 12 11.378 -1.389 7.256 1.00 0.00 N ATOM 131 CA ILE A 12 10.917 -0.838 8.525 1.00 0.00 C ATOM 132 C ILE A 12 10.427 0.596 8.355 1.00 0.00 C ATOM 133 O ILE A 12 10.549 1.182 7.279 1.00 0.00 O ATOM 134 CB ILE A 12 12.030 -0.866 9.589 1.00 0.00 C ATOM 135 CG1 ILE A 12 13.173 0.069 9.187 1.00 0.00 C ATOM 136 CG2 ILE A 12 12.542 -2.286 9.782 1.00 0.00 C ATOM 137 CD1 ILE A 12 14.251 0.191 10.241 1.00 0.00 C ATOM 0 H ILE A 12 12.143 -0.870 6.824 1.00 0.00 H new ATOM 0 HA ILE A 12 10.091 -1.465 8.860 1.00 0.00 H new ATOM 0 HB ILE A 12 11.617 -0.518 10.536 1.00 0.00 H new ATOM 0 HG12 ILE A 12 13.620 -0.294 8.261 1.00 0.00 H new ATOM 0 HG13 ILE A 12 12.766 1.058 8.978 1.00 0.00 H new ATOM 0 HG21 ILE A 12 13.328 -2.290 10.537 1.00 0.00 H new ATOM 0 HG22 ILE A 12 11.723 -2.927 10.108 1.00 0.00 H new ATOM 0 HG23 ILE A 12 12.942 -2.660 8.840 1.00 0.00 H new ATOM 0 HD11 ILE A 12 15.029 0.869 9.889 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.817 0.583 11.161 1.00 0.00 H new ATOM 0 HD13 ILE A 12 14.685 -0.790 10.433 1.00 0.00 H new ATOM 149 N ASP A 13 9.875 1.157 9.425 1.00 0.00 N ATOM 150 CA ASP A 13 9.369 2.525 9.397 1.00 0.00 C ATOM 151 C ASP A 13 8.213 2.656 8.409 1.00 0.00 C ATOM 152 O ASP A 13 8.056 3.688 7.755 1.00 0.00 O ATOM 153 CB ASP A 13 10.488 3.497 9.023 1.00 0.00 C ATOM 154 CG ASP A 13 10.257 4.888 9.580 1.00 0.00 C ATOM 155 OD1 ASP A 13 9.907 4.998 10.774 1.00 0.00 O ATOM 156 OD2 ASP A 13 10.427 5.866 8.823 1.00 0.00 O ATOM 0 H ASP A 13 9.766 0.686 10.323 1.00 0.00 H new ATOM 0 HA ASP A 13 9.002 2.772 10.393 1.00 0.00 H new ATOM 0 HB2 ASP A 13 11.438 3.113 9.395 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.569 3.552 7.937 1.00 0.00 H new ATOM 161 N LEU A 14 7.408 1.604 8.306 1.00 0.00 N ATOM 162 CA LEU A 14 6.267 1.601 7.397 1.00 0.00 C ATOM 163 C LEU A 14 5.165 2.526 7.904 1.00 0.00 C ATOM 164 O LEU A 14 4.472 2.211 8.872 1.00 0.00 O ATOM 165 CB LEU A 14 5.722 0.181 7.236 1.00 0.00 C ATOM 166 CG LEU A 14 5.027 -0.124 5.909 1.00 0.00 C ATOM 167 CD1 LEU A 14 6.025 -0.090 4.762 1.00 0.00 C ATOM 168 CD2 LEU A 14 4.329 -1.475 5.971 1.00 0.00 C ATOM 0 H LEU A 14 7.524 0.743 8.840 1.00 0.00 H new ATOM 0 HA LEU A 14 6.605 1.966 6.427 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.547 -0.520 7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.017 -0.010 8.045 1.00 0.00 H new ATOM 0 HG LEU A 14 4.275 0.644 5.731 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.511 -0.310 3.826 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.479 0.899 4.704 1.00 0.00 H new ATOM 0 HD13 LEU A 14 6.802 -0.836 4.933 1.00 0.00 H new ATOM 0 HD21 LEU A 14 3.840 -1.676 5.018 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.063 -2.255 6.173 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.584 -1.463 6.766 1.00 0.00 H new ATOM 180 N VAL A 15 5.006 3.668 7.242 1.00 0.00 N ATOM 181 CA VAL A 15 3.986 4.637 7.624 1.00 0.00 C ATOM 182 C VAL A 15 3.450 5.379 6.404 1.00 0.00 C ATOM 183 O VAL A 15 4.128 5.487 5.382 1.00 0.00 O ATOM 184 CB VAL A 15 4.535 5.662 8.634 1.00 0.00 C ATOM 185 CG1 VAL A 15 3.414 6.544 9.163 1.00 0.00 C ATOM 186 CG2 VAL A 15 5.250 4.954 9.775 1.00 0.00 C ATOM 0 H VAL A 15 5.571 3.944 6.439 1.00 0.00 H new ATOM 0 HA VAL A 15 3.176 4.077 8.091 1.00 0.00 H new ATOM 0 HB VAL A 15 5.256 6.300 8.123 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.821 7.262 9.875 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.950 7.078 8.334 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.667 5.924 9.659 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.632 5.693 10.479 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.552 4.292 10.287 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.080 4.369 9.377 1.00 0.00 H new ATOM 196 N VAL A 16 2.228 5.891 6.519 1.00 0.00 N ATOM 197 CA VAL A 16 1.601 6.625 5.427 1.00 0.00 C ATOM 198 C VAL A 16 1.726 8.130 5.633 1.00 0.00 C ATOM 199 O VAL A 16 1.513 8.638 6.735 1.00 0.00 O ATOM 200 CB VAL A 16 0.111 6.259 5.288 1.00 0.00 C ATOM 201 CG1 VAL A 16 -0.455 6.812 3.989 1.00 0.00 C ATOM 202 CG2 VAL A 16 -0.076 4.751 5.361 1.00 0.00 C ATOM 0 H VAL A 16 1.653 5.811 7.358 1.00 0.00 H new ATOM 0 HA VAL A 16 2.124 6.342 4.514 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.435 6.710 6.116 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.508 6.544 3.908 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -0.355 7.897 3.982 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.093 6.392 3.145 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.134 4.510 5.261 1.00 0.00 H new ATOM 0 HG22 VAL A 16 0.482 4.276 4.554 1.00 0.00 H new ATOM 0 HG23 VAL A 16 0.290 4.385 6.320 1.00 0.00 H new ATOM 212 N THR A 17 2.074 8.841 4.565 1.00 0.00 N ATOM 213 CA THR A 17 2.229 10.289 4.628 1.00 0.00 C ATOM 214 C THR A 17 1.025 10.998 4.018 1.00 0.00 C ATOM 215 O THR A 17 0.632 12.073 4.470 1.00 0.00 O ATOM 216 CB THR A 17 3.505 10.750 3.899 1.00 0.00 C ATOM 217 OG1 THR A 17 3.677 12.162 4.058 1.00 0.00 O ATOM 218 CG2 THR A 17 3.437 10.406 2.419 1.00 0.00 C ATOM 0 H THR A 17 2.254 8.437 3.646 1.00 0.00 H new ATOM 0 HA THR A 17 2.307 10.553 5.683 1.00 0.00 H new ATOM 0 HB THR A 17 4.356 10.229 4.338 1.00 0.00 H new ATOM 0 HG1 THR A 17 4.491 12.447 3.593 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.349 10.741 1.925 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.336 9.327 2.300 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.577 10.903 1.969 1.00 0.00 H new ATOM 226 N GLU A 18 0.443 10.388 2.989 1.00 0.00 N ATOM 227 CA GLU A 18 -0.716 10.963 2.318 1.00 0.00 C ATOM 228 C GLU A 18 -1.753 9.887 2.007 1.00 0.00 C ATOM 229 O GLU A 18 -1.414 8.720 1.808 1.00 0.00 O ATOM 230 CB GLU A 18 -0.290 11.664 1.026 1.00 0.00 C ATOM 231 CG GLU A 18 0.505 12.938 1.259 1.00 0.00 C ATOM 232 CD GLU A 18 0.568 13.819 0.027 1.00 0.00 C ATOM 233 OE1 GLU A 18 0.504 13.277 -1.096 1.00 0.00 O ATOM 234 OE2 GLU A 18 0.680 15.053 0.186 1.00 0.00 O ATOM 0 H GLU A 18 0.755 9.497 2.603 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.166 11.695 2.989 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.309 10.976 0.430 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -1.179 11.902 0.441 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.055 13.498 2.079 1.00 0.00 H new ATOM 0 HG3 GLU A 18 1.518 12.679 1.568 1.00 0.00 H new ATOM 241 N THR A 19 -3.020 10.288 1.968 1.00 0.00 N ATOM 242 CA THR A 19 -4.108 9.360 1.684 1.00 0.00 C ATOM 243 C THR A 19 -5.157 10.002 0.784 1.00 0.00 C ATOM 244 O THR A 19 -5.877 10.910 1.200 1.00 0.00 O ATOM 245 CB THR A 19 -4.786 8.876 2.979 1.00 0.00 C ATOM 246 OG1 THR A 19 -4.695 9.888 3.988 1.00 0.00 O ATOM 247 CG2 THR A 19 -4.139 7.593 3.481 1.00 0.00 C ATOM 0 H THR A 19 -3.318 11.250 2.130 1.00 0.00 H new ATOM 0 HA THR A 19 -3.668 8.504 1.172 1.00 0.00 H new ATOM 0 HB THR A 19 -5.835 8.675 2.761 1.00 0.00 H new ATOM 0 HG1 THR A 19 -5.130 9.573 4.808 1.00 0.00 H new ATOM 0 HG21 THR A 19 -4.634 7.270 4.397 1.00 0.00 H new ATOM 0 HG22 THR A 19 -4.235 6.816 2.723 1.00 0.00 H new ATOM 0 HG23 THR A 19 -3.083 7.773 3.684 1.00 0.00 H new ATOM 255 N THR A 20 -5.241 9.524 -0.454 1.00 0.00 N ATOM 256 CA THR A 20 -6.202 10.052 -1.414 1.00 0.00 C ATOM 257 C THR A 20 -7.482 9.223 -1.422 1.00 0.00 C ATOM 258 O THR A 20 -7.511 8.105 -0.910 1.00 0.00 O ATOM 259 CB THR A 20 -5.615 10.083 -2.838 1.00 0.00 C ATOM 260 OG1 THR A 20 -4.191 10.216 -2.778 1.00 0.00 O ATOM 261 CG2 THR A 20 -6.203 11.234 -3.640 1.00 0.00 C ATOM 0 H THR A 20 -4.654 8.772 -0.815 1.00 0.00 H new ATOM 0 HA THR A 20 -6.433 11.071 -1.103 1.00 0.00 H new ATOM 0 HB THR A 20 -5.871 9.147 -3.334 1.00 0.00 H new ATOM 0 HG1 THR A 20 -3.857 10.549 -3.637 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.774 11.236 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 20 -7.284 11.115 -3.709 1.00 0.00 H new ATOM 0 HG23 THR A 20 -5.973 12.177 -3.145 1.00 0.00 H new ATOM 269 N ALA A 21 -8.538 9.780 -2.007 1.00 0.00 N ATOM 270 CA ALA A 21 -9.820 9.090 -2.084 1.00 0.00 C ATOM 271 C ALA A 21 -9.682 7.755 -2.807 1.00 0.00 C ATOM 272 O ALA A 21 -10.358 6.782 -2.471 1.00 0.00 O ATOM 273 CB ALA A 21 -10.849 9.967 -2.781 1.00 0.00 C ATOM 0 H ALA A 21 -8.531 10.706 -2.434 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.159 8.889 -1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.802 9.440 -2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -10.976 10.894 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.507 10.197 -3.790 1.00 0.00 H new ATOM 279 N THR A 22 -8.804 7.715 -3.805 1.00 0.00 N ATOM 280 CA THR A 22 -8.580 6.500 -4.577 1.00 0.00 C ATOM 281 C THR A 22 -7.092 6.181 -4.682 1.00 0.00 C ATOM 282 O THR A 22 -6.671 5.417 -5.550 1.00 0.00 O ATOM 283 CB THR A 22 -9.169 6.619 -5.995 1.00 0.00 C ATOM 284 OG1 THR A 22 -8.585 7.735 -6.676 1.00 0.00 O ATOM 285 CG2 THR A 22 -10.680 6.785 -5.942 1.00 0.00 C ATOM 0 H THR A 22 -8.237 8.511 -4.097 1.00 0.00 H new ATOM 0 HA THR A 22 -9.085 5.692 -4.048 1.00 0.00 H new ATOM 0 HB THR A 22 -8.939 5.702 -6.538 1.00 0.00 H new ATOM 0 HG1 THR A 22 -8.963 7.803 -7.577 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.073 6.867 -6.955 1.00 0.00 H new ATOM 0 HG22 THR A 22 -11.124 5.920 -5.450 1.00 0.00 H new ATOM 0 HG23 THR A 22 -10.928 7.687 -5.383 1.00 0.00 H new ATOM 293 N SER A 23 -6.302 6.772 -3.792 1.00 0.00 N ATOM 294 CA SER A 23 -4.860 6.553 -3.786 1.00 0.00 C ATOM 295 C SER A 23 -4.288 6.733 -2.383 1.00 0.00 C ATOM 296 O SER A 23 -4.976 7.200 -1.475 1.00 0.00 O ATOM 297 CB SER A 23 -4.173 7.516 -4.756 1.00 0.00 C ATOM 298 OG SER A 23 -4.853 7.559 -5.999 1.00 0.00 O ATOM 0 H SER A 23 -6.636 7.406 -3.066 1.00 0.00 H new ATOM 0 HA SER A 23 -4.672 5.528 -4.107 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.141 8.515 -4.321 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.141 7.204 -4.913 1.00 0.00 H new ATOM 0 HG SER A 23 -4.395 8.183 -6.601 1.00 0.00 H new ATOM 304 N VAL A 24 -3.024 6.360 -2.213 1.00 0.00 N ATOM 305 CA VAL A 24 -2.358 6.480 -0.922 1.00 0.00 C ATOM 306 C VAL A 24 -0.842 6.491 -1.084 1.00 0.00 C ATOM 307 O VAL A 24 -0.307 5.965 -2.061 1.00 0.00 O ATOM 308 CB VAL A 24 -2.754 5.331 0.023 1.00 0.00 C ATOM 309 CG1 VAL A 24 -2.016 5.450 1.348 1.00 0.00 C ATOM 310 CG2 VAL A 24 -4.259 5.315 0.241 1.00 0.00 C ATOM 0 H VAL A 24 -2.440 5.972 -2.954 1.00 0.00 H new ATOM 0 HA VAL A 24 -2.681 7.426 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 24 -2.467 4.387 -0.441 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.309 4.629 2.003 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.941 5.407 1.171 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.268 6.399 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -4.521 4.496 0.911 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -4.573 6.261 0.683 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -4.764 5.176 -0.715 1.00 0.00 H new ATOM 320 N THR A 25 -0.153 7.093 -0.120 1.00 0.00 N ATOM 321 CA THR A 25 1.302 7.173 -0.155 1.00 0.00 C ATOM 322 C THR A 25 1.924 6.384 0.991 1.00 0.00 C ATOM 323 O THR A 25 1.552 6.560 2.153 1.00 0.00 O ATOM 324 CB THR A 25 1.786 8.633 -0.081 1.00 0.00 C ATOM 325 OG1 THR A 25 1.275 9.376 -1.194 1.00 0.00 O ATOM 326 CG2 THR A 25 3.306 8.700 -0.076 1.00 0.00 C ATOM 0 H THR A 25 -0.580 7.533 0.695 1.00 0.00 H new ATOM 0 HA THR A 25 1.620 6.741 -1.104 1.00 0.00 H new ATOM 0 HB THR A 25 1.416 9.068 0.847 1.00 0.00 H new ATOM 0 HG1 THR A 25 1.710 10.254 -1.229 1.00 0.00 H new ATOM 0 HG21 THR A 25 3.624 9.741 -0.023 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.691 8.159 0.788 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.693 8.248 -0.989 1.00 0.00 H new ATOM 334 N LEU A 26 2.873 5.516 0.659 1.00 0.00 N ATOM 335 CA LEU A 26 3.548 4.700 1.663 1.00 0.00 C ATOM 336 C LEU A 26 5.029 5.056 1.747 1.00 0.00 C ATOM 337 O LEU A 26 5.687 5.267 0.728 1.00 0.00 O ATOM 338 CB LEU A 26 3.387 3.215 1.334 1.00 0.00 C ATOM 339 CG LEU A 26 3.401 2.258 2.526 1.00 0.00 C ATOM 340 CD1 LEU A 26 2.269 2.586 3.488 1.00 0.00 C ATOM 341 CD2 LEU A 26 3.301 0.815 2.053 1.00 0.00 C ATOM 0 H LEU A 26 3.193 5.359 -0.297 1.00 0.00 H new ATOM 0 HA LEU A 26 3.088 4.903 2.630 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.447 3.082 0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.187 2.926 0.652 1.00 0.00 H new ATOM 0 HG LEU A 26 4.346 2.381 3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 26 2.295 1.894 4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.386 3.606 3.853 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.314 2.493 2.971 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.312 0.148 2.915 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.372 0.677 1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.147 0.585 1.405 1.00 0.00 H new ATOM 353 N THR A 27 5.549 5.119 2.969 1.00 0.00 N ATOM 354 CA THR A 27 6.952 5.448 3.187 1.00 0.00 C ATOM 355 C THR A 27 7.607 4.456 4.142 1.00 0.00 C ATOM 356 O THR A 27 7.005 4.044 5.133 1.00 0.00 O ATOM 357 CB THR A 27 7.114 6.871 3.752 1.00 0.00 C ATOM 358 OG1 THR A 27 6.526 6.950 5.056 1.00 0.00 O ATOM 359 CG2 THR A 27 6.464 7.895 2.835 1.00 0.00 C ATOM 0 H THR A 27 5.019 4.946 3.823 1.00 0.00 H new ATOM 0 HA THR A 27 7.444 5.393 2.216 1.00 0.00 H new ATOM 0 HB THR A 27 8.179 7.092 3.820 1.00 0.00 H new ATOM 0 HG1 THR A 27 5.695 6.431 5.072 1.00 0.00 H new ATOM 0 HG21 THR A 27 6.592 8.893 3.255 1.00 0.00 H new ATOM 0 HG22 THR A 27 6.933 7.853 1.852 1.00 0.00 H new ATOM 0 HG23 THR A 27 5.401 7.675 2.739 1.00 0.00 H new ATOM 367 N TRP A 28 8.843 4.078 3.837 1.00 0.00 N ATOM 368 CA TRP A 28 9.580 3.134 4.670 1.00 0.00 C ATOM 369 C TRP A 28 11.084 3.308 4.489 1.00 0.00 C ATOM 370 O TRP A 28 11.531 4.099 3.658 1.00 0.00 O ATOM 371 CB TRP A 28 9.176 1.698 4.330 1.00 0.00 C ATOM 372 CG TRP A 28 9.549 1.290 2.937 1.00 0.00 C ATOM 373 CD1 TRP A 28 10.695 0.658 2.547 1.00 0.00 C ATOM 374 CD2 TRP A 28 8.774 1.488 1.749 1.00 0.00 C ATOM 375 NE1 TRP A 28 10.679 0.451 1.188 1.00 0.00 N ATOM 376 CE2 TRP A 28 9.511 0.950 0.676 1.00 0.00 C ATOM 377 CE3 TRP A 28 7.528 2.065 1.489 1.00 0.00 C ATOM 378 CZ2 TRP A 28 9.042 0.975 -0.635 1.00 0.00 C ATOM 379 CZ3 TRP A 28 7.064 2.089 0.187 1.00 0.00 C ATOM 380 CH2 TRP A 28 7.819 1.546 -0.861 1.00 0.00 C ATOM 0 H TRP A 28 9.356 4.410 3.020 1.00 0.00 H new ATOM 0 HA TRP A 28 9.332 3.337 5.712 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.648 1.018 5.039 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.098 1.592 4.456 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.496 0.364 3.209 1.00 0.00 H new ATOM 0 HE1 TRP A 28 11.417 -0.001 0.649 1.00 0.00 H new ATOM 0 HE3 TRP A 28 6.938 2.485 2.291 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 9.623 0.559 -1.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 6.103 2.534 -0.026 1.00 0.00 H new ATOM 0 HH2 TRP A 28 7.428 1.579 -1.867 1.00 0.00 H new ATOM 391 N ASP A 29 11.859 2.565 5.271 1.00 0.00 N ATOM 392 CA ASP A 29 13.314 2.637 5.196 1.00 0.00 C ATOM 393 C ASP A 29 13.887 1.381 4.547 1.00 0.00 C ATOM 394 O ASP A 29 13.299 0.303 4.632 1.00 0.00 O ATOM 395 CB ASP A 29 13.910 2.823 6.592 1.00 0.00 C ATOM 396 CG ASP A 29 14.015 4.282 6.988 1.00 0.00 C ATOM 397 OD1 ASP A 29 12.986 4.988 6.931 1.00 0.00 O ATOM 398 OD2 ASP A 29 15.125 4.719 7.355 1.00 0.00 O ATOM 0 H ASP A 29 11.504 1.906 5.964 1.00 0.00 H new ATOM 0 HA ASP A 29 13.579 3.496 4.580 1.00 0.00 H new ATOM 0 HB2 ASP A 29 13.294 2.296 7.320 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.900 2.369 6.624 1.00 0.00 H new ATOM 403 N SER A 30 15.038 1.528 3.899 1.00 0.00 N ATOM 404 CA SER A 30 15.689 0.407 3.232 1.00 0.00 C ATOM 405 C SER A 30 15.722 -0.820 4.138 1.00 0.00 C ATOM 406 O SER A 30 15.337 -1.916 3.733 1.00 0.00 O ATOM 407 CB SER A 30 17.112 0.788 2.818 1.00 0.00 C ATOM 408 OG SER A 30 17.876 1.198 3.939 1.00 0.00 O ATOM 0 H SER A 30 15.539 2.413 3.822 1.00 0.00 H new ATOM 0 HA SER A 30 15.112 0.163 2.340 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.594 -0.063 2.337 1.00 0.00 H new ATOM 0 HB3 SER A 30 17.077 1.593 2.083 1.00 0.00 H new ATOM 0 HG SER A 30 18.782 1.435 3.649 1.00 0.00 H new ATOM 414 N GLY A 31 16.186 -0.626 5.369 1.00 0.00 N ATOM 415 CA GLY A 31 16.261 -1.724 6.315 1.00 0.00 C ATOM 416 C GLY A 31 17.477 -2.600 6.091 1.00 0.00 C ATOM 417 O GLY A 31 18.149 -2.997 7.042 1.00 0.00 O ATOM 0 H GLY A 31 16.511 0.272 5.728 1.00 0.00 H new ATOM 0 HA2 GLY A 31 16.286 -1.325 7.329 1.00 0.00 H new ATOM 0 HA3 GLY A 31 15.360 -2.331 6.234 1.00 0.00 H new ATOM 421 N ASN A 32 17.761 -2.904 4.828 1.00 0.00 N ATOM 422 CA ASN A 32 18.904 -3.741 4.482 1.00 0.00 C ATOM 423 C ASN A 32 20.080 -2.889 4.014 1.00 0.00 C ATOM 424 O ASN A 32 19.991 -2.188 3.006 1.00 0.00 O ATOM 425 CB ASN A 32 18.518 -4.740 3.389 1.00 0.00 C ATOM 426 CG ASN A 32 17.473 -5.734 3.858 1.00 0.00 C ATOM 427 OD1 ASN A 32 17.802 -6.776 4.426 1.00 0.00 O ATOM 428 ND2 ASN A 32 16.206 -5.416 3.622 1.00 0.00 N ATOM 0 H ASN A 32 17.215 -2.583 4.028 1.00 0.00 H new ATOM 0 HA ASN A 32 19.206 -4.288 5.375 1.00 0.00 H new ATOM 0 HB2 ASN A 32 18.138 -4.198 2.523 1.00 0.00 H new ATOM 0 HB3 ASN A 32 19.407 -5.279 3.062 1.00 0.00 H new ATOM 0 HD21 ASN A 32 15.459 -6.046 3.915 1.00 0.00 H new ATOM 0 HD22 ASN A 32 15.979 -4.542 3.148 1.00 0.00 H new ATOM 475 N VAL A 36 19.480 -3.738 -2.559 1.00 0.00 N ATOM 476 CA VAL A 36 18.392 -4.609 -2.990 1.00 0.00 C ATOM 477 C VAL A 36 17.884 -4.211 -4.371 1.00 0.00 C ATOM 478 O VAL A 36 17.912 -3.037 -4.742 1.00 0.00 O ATOM 479 CB VAL A 36 17.218 -4.575 -1.993 1.00 0.00 C ATOM 480 CG1 VAL A 36 16.477 -5.903 -1.996 1.00 0.00 C ATOM 481 CG2 VAL A 36 17.715 -4.235 -0.596 1.00 0.00 C ATOM 0 HA VAL A 36 18.794 -5.621 -3.032 1.00 0.00 H new ATOM 0 HB VAL A 36 16.521 -3.797 -2.305 1.00 0.00 H new ATOM 0 HG11 VAL A 36 15.651 -5.860 -1.286 1.00 0.00 H new ATOM 0 HG12 VAL A 36 16.087 -6.100 -2.995 1.00 0.00 H new ATOM 0 HG13 VAL A 36 17.161 -6.702 -1.710 1.00 0.00 H new ATOM 0 HG21 VAL A 36 16.872 -4.215 0.095 1.00 0.00 H new ATOM 0 HG22 VAL A 36 18.433 -4.988 -0.272 1.00 0.00 H new ATOM 0 HG23 VAL A 36 18.196 -3.257 -0.609 1.00 0.00 H new ATOM 491 N THR A 37 17.418 -5.197 -5.131 1.00 0.00 N ATOM 492 CA THR A 37 16.903 -4.951 -6.472 1.00 0.00 C ATOM 493 C THR A 37 15.672 -4.054 -6.432 1.00 0.00 C ATOM 494 O THR A 37 15.729 -2.887 -6.822 1.00 0.00 O ATOM 495 CB THR A 37 16.542 -6.268 -7.185 1.00 0.00 C ATOM 496 OG1 THR A 37 17.637 -7.186 -7.102 1.00 0.00 O ATOM 497 CG2 THR A 37 16.195 -6.015 -8.645 1.00 0.00 C ATOM 0 H THR A 37 17.387 -6.174 -4.840 1.00 0.00 H new ATOM 0 HA THR A 37 17.696 -4.451 -7.028 1.00 0.00 H new ATOM 0 HB THR A 37 15.671 -6.697 -6.690 1.00 0.00 H new ATOM 0 HG1 THR A 37 17.356 -8.062 -7.441 1.00 0.00 H new ATOM 0 HG21 THR A 37 15.944 -6.959 -9.128 1.00 0.00 H new ATOM 0 HG22 THR A 37 15.342 -5.339 -8.704 1.00 0.00 H new ATOM 0 HG23 THR A 37 17.050 -5.566 -9.150 1.00 0.00 H new ATOM 505 N TYR A 38 14.560 -4.604 -5.958 1.00 0.00 N ATOM 506 CA TYR A 38 13.313 -3.852 -5.869 1.00 0.00 C ATOM 507 C TYR A 38 12.467 -4.337 -4.695 1.00 0.00 C ATOM 508 O TYR A 38 12.684 -5.428 -4.168 1.00 0.00 O ATOM 509 CB TYR A 38 12.521 -3.982 -7.171 1.00 0.00 C ATOM 510 CG TYR A 38 11.895 -5.345 -7.366 1.00 0.00 C ATOM 511 CD1 TYR A 38 12.592 -6.367 -7.998 1.00 0.00 C ATOM 512 CD2 TYR A 38 10.607 -5.610 -6.917 1.00 0.00 C ATOM 513 CE1 TYR A 38 12.024 -7.614 -8.178 1.00 0.00 C ATOM 514 CE2 TYR A 38 10.032 -6.854 -7.092 1.00 0.00 C ATOM 515 CZ TYR A 38 10.744 -7.852 -7.723 1.00 0.00 C ATOM 516 OH TYR A 38 10.175 -9.093 -7.900 1.00 0.00 O ATOM 0 H TYR A 38 14.496 -5.568 -5.629 1.00 0.00 H new ATOM 0 HA TYR A 38 13.561 -2.803 -5.706 1.00 0.00 H new ATOM 0 HB2 TYR A 38 11.736 -3.226 -7.186 1.00 0.00 H new ATOM 0 HB3 TYR A 38 13.183 -3.772 -8.011 1.00 0.00 H new ATOM 0 HD1 TYR A 38 13.595 -6.184 -8.355 1.00 0.00 H new ATOM 0 HD2 TYR A 38 10.046 -4.830 -6.423 1.00 0.00 H new ATOM 0 HE1 TYR A 38 12.579 -8.398 -8.672 1.00 0.00 H new ATOM 0 HE2 TYR A 38 9.030 -7.044 -6.736 1.00 0.00 H new ATOM 0 HH TYR A 38 9.271 -9.095 -7.522 1.00 0.00 H new ATOM 526 N TYR A 39 11.503 -3.518 -4.292 1.00 0.00 N ATOM 527 CA TYR A 39 10.624 -3.861 -3.180 1.00 0.00 C ATOM 528 C TYR A 39 9.186 -4.041 -3.657 1.00 0.00 C ATOM 529 O TYR A 39 8.596 -3.134 -4.242 1.00 0.00 O ATOM 530 CB TYR A 39 10.684 -2.777 -2.102 1.00 0.00 C ATOM 531 CG TYR A 39 12.053 -2.617 -1.479 1.00 0.00 C ATOM 532 CD1 TYR A 39 13.158 -2.293 -2.257 1.00 0.00 C ATOM 533 CD2 TYR A 39 12.241 -2.792 -0.114 1.00 0.00 C ATOM 534 CE1 TYR A 39 14.410 -2.147 -1.692 1.00 0.00 C ATOM 535 CE2 TYR A 39 13.489 -2.647 0.459 1.00 0.00 C ATOM 536 CZ TYR A 39 14.571 -2.324 -0.334 1.00 0.00 C ATOM 537 OH TYR A 39 15.816 -2.180 0.233 1.00 0.00 O ATOM 0 H TYR A 39 11.310 -2.612 -4.718 1.00 0.00 H new ATOM 0 HA TYR A 39 10.968 -4.805 -2.756 1.00 0.00 H new ATOM 0 HB2 TYR A 39 10.379 -1.826 -2.538 1.00 0.00 H new ATOM 0 HB3 TYR A 39 9.963 -3.014 -1.319 1.00 0.00 H new ATOM 0 HD1 TYR A 39 13.036 -2.153 -3.321 1.00 0.00 H new ATOM 0 HD2 TYR A 39 11.397 -3.046 0.510 1.00 0.00 H new ATOM 0 HE1 TYR A 39 15.259 -1.895 -2.311 1.00 0.00 H new ATOM 0 HE2 TYR A 39 13.618 -2.786 1.522 1.00 0.00 H new ATOM 0 HH TYR A 39 15.756 -2.337 1.198 1.00 0.00 H new ATOM 547 N GLY A 40 8.628 -5.220 -3.400 1.00 0.00 N ATOM 548 CA GLY A 40 7.263 -5.499 -3.809 1.00 0.00 C ATOM 549 C GLY A 40 6.242 -4.945 -2.835 1.00 0.00 C ATOM 550 O GLY A 40 6.564 -4.666 -1.680 1.00 0.00 O ATOM 0 H GLY A 40 9.096 -5.986 -2.916 1.00 0.00 H new ATOM 0 HA2 GLY A 40 7.088 -5.072 -4.796 1.00 0.00 H new ATOM 0 HA3 GLY A 40 7.127 -6.577 -3.900 1.00 0.00 H new ATOM 554 N ILE A 41 5.008 -4.785 -3.302 1.00 0.00 N ATOM 555 CA ILE A 41 3.937 -4.260 -2.464 1.00 0.00 C ATOM 556 C ILE A 41 2.663 -5.083 -2.621 1.00 0.00 C ATOM 557 O ILE A 41 2.216 -5.346 -3.737 1.00 0.00 O ATOM 558 CB ILE A 41 3.629 -2.789 -2.800 1.00 0.00 C ATOM 559 CG1 ILE A 41 4.873 -1.923 -2.590 1.00 0.00 C ATOM 560 CG2 ILE A 41 2.474 -2.282 -1.949 1.00 0.00 C ATOM 561 CD1 ILE A 41 4.621 -0.445 -2.786 1.00 0.00 C ATOM 0 H ILE A 41 4.725 -5.011 -4.256 1.00 0.00 H new ATOM 0 HA ILE A 41 4.283 -4.324 -1.432 1.00 0.00 H new ATOM 0 HB ILE A 41 3.338 -2.725 -3.848 1.00 0.00 H new ATOM 0 HG12 ILE A 41 5.254 -2.088 -1.582 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.651 -2.245 -3.282 1.00 0.00 H new ATOM 0 HG21 ILE A 41 2.268 -1.241 -2.198 1.00 0.00 H new ATOM 0 HG22 ILE A 41 1.587 -2.884 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.739 -2.357 -0.894 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.546 0.107 -2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 41 4.269 -0.268 -3.802 1.00 0.00 H new ATOM 0 HD13 ILE A 41 3.866 -0.107 -2.076 1.00 0.00 H new ATOM 573 N GLN A 42 2.083 -5.486 -1.495 1.00 0.00 N ATOM 574 CA GLN A 42 0.859 -6.278 -1.508 1.00 0.00 C ATOM 575 C GLN A 42 -0.220 -5.628 -0.649 1.00 0.00 C ATOM 576 O GLN A 42 -0.018 -5.389 0.542 1.00 0.00 O ATOM 577 CB GLN A 42 1.140 -7.697 -1.008 1.00 0.00 C ATOM 578 CG GLN A 42 1.816 -8.583 -2.041 1.00 0.00 C ATOM 579 CD GLN A 42 2.578 -9.734 -1.414 1.00 0.00 C ATOM 580 OE1 GLN A 42 2.539 -9.930 -0.199 1.00 0.00 O ATOM 581 NE2 GLN A 42 3.278 -10.502 -2.241 1.00 0.00 N ATOM 0 H GLN A 42 2.441 -5.277 -0.563 1.00 0.00 H new ATOM 0 HA GLN A 42 0.498 -6.326 -2.536 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.770 -7.642 -0.120 1.00 0.00 H new ATOM 0 HB3 GLN A 42 0.201 -8.159 -0.704 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.063 -8.979 -2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.501 -7.981 -2.638 1.00 0.00 H new ATOM 0 HE21 GLN A 42 3.282 -10.303 -3.241 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.812 -11.291 -1.876 1.00 0.00 H new ATOM 590 N TYR A 43 -1.364 -5.343 -1.260 1.00 0.00 N ATOM 591 CA TYR A 43 -2.474 -4.718 -0.551 1.00 0.00 C ATOM 592 C TYR A 43 -3.801 -5.364 -0.939 1.00 0.00 C ATOM 593 O TYR A 43 -3.966 -5.846 -2.060 1.00 0.00 O ATOM 594 CB TYR A 43 -2.517 -3.218 -0.851 1.00 0.00 C ATOM 595 CG TYR A 43 -2.624 -2.898 -2.325 1.00 0.00 C ATOM 596 CD1 TYR A 43 -1.489 -2.825 -3.123 1.00 0.00 C ATOM 597 CD2 TYR A 43 -3.858 -2.667 -2.919 1.00 0.00 C ATOM 598 CE1 TYR A 43 -1.581 -2.532 -4.470 1.00 0.00 C ATOM 599 CE2 TYR A 43 -3.960 -2.375 -4.265 1.00 0.00 C ATOM 600 CZ TYR A 43 -2.819 -2.308 -5.036 1.00 0.00 C ATOM 601 OH TYR A 43 -2.916 -2.016 -6.378 1.00 0.00 O ATOM 0 H TYR A 43 -1.547 -5.535 -2.245 1.00 0.00 H new ATOM 0 HA TYR A 43 -2.318 -4.864 0.518 1.00 0.00 H new ATOM 0 HB2 TYR A 43 -3.366 -2.776 -0.329 1.00 0.00 H new ATOM 0 HB3 TYR A 43 -1.618 -2.750 -0.451 1.00 0.00 H new ATOM 0 HD1 TYR A 43 -0.518 -3.000 -2.683 1.00 0.00 H new ATOM 0 HD2 TYR A 43 -4.754 -2.717 -2.318 1.00 0.00 H new ATOM 0 HE1 TYR A 43 -0.689 -2.479 -5.076 1.00 0.00 H new ATOM 0 HE2 TYR A 43 -4.928 -2.200 -4.711 1.00 0.00 H new ATOM 0 HH TYR A 43 -3.858 -1.887 -6.618 1.00 0.00 H new ATOM 611 N ARG A 44 -4.745 -5.369 -0.003 1.00 0.00 N ATOM 612 CA ARG A 44 -6.057 -5.955 -0.245 1.00 0.00 C ATOM 613 C ARG A 44 -7.125 -5.264 0.598 1.00 0.00 C ATOM 614 O ARG A 44 -6.853 -4.805 1.707 1.00 0.00 O ATOM 615 CB ARG A 44 -6.036 -7.452 0.068 1.00 0.00 C ATOM 616 CG ARG A 44 -7.391 -8.125 -0.079 1.00 0.00 C ATOM 617 CD ARG A 44 -7.647 -8.554 -1.516 1.00 0.00 C ATOM 618 NE ARG A 44 -9.051 -8.882 -1.747 1.00 0.00 N ATOM 619 CZ ARG A 44 -9.619 -8.877 -2.948 1.00 0.00 C ATOM 620 NH1 ARG A 44 -8.906 -8.563 -4.021 1.00 0.00 N ATOM 621 NH2 ARG A 44 -10.902 -9.188 -3.077 1.00 0.00 N ATOM 0 H ARG A 44 -4.625 -4.974 0.930 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.301 -5.814 -1.298 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -5.323 -7.943 -0.594 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -5.677 -7.596 1.087 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -7.439 -8.995 0.576 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -8.176 -7.440 0.243 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -7.346 -7.754 -2.192 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.029 -9.420 -1.751 1.00 0.00 H new ATOM 0 HE ARG A 44 -9.627 -9.128 -0.942 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -7.919 -8.325 -3.926 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -9.345 -8.560 -4.942 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -11.453 -9.431 -2.254 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.338 -9.184 -3.999 1.00 0.00 H new ATOM 635 N ALA A 45 -8.340 -5.194 0.064 1.00 0.00 N ATOM 636 CA ALA A 45 -9.448 -4.560 0.767 1.00 0.00 C ATOM 637 C ALA A 45 -9.670 -5.202 2.132 1.00 0.00 C ATOM 638 O ALA A 45 -9.856 -6.414 2.237 1.00 0.00 O ATOM 639 CB ALA A 45 -10.718 -4.640 -0.068 1.00 0.00 C ATOM 0 H ALA A 45 -8.582 -5.569 -0.853 1.00 0.00 H new ATOM 0 HA ALA A 45 -9.194 -3.512 0.924 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -11.537 -4.163 0.469 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -10.561 -4.130 -1.018 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.966 -5.685 -0.254 1.00 0.00 H new ATOM 732 N GLN A 53 -3.065 -7.777 -4.087 1.00 0.00 N ATOM 733 CA GLN A 53 -2.380 -7.293 -5.279 1.00 0.00 C ATOM 734 C GLN A 53 -0.871 -7.471 -5.151 1.00 0.00 C ATOM 735 O GLN A 53 -0.352 -7.671 -4.053 1.00 0.00 O ATOM 736 CB GLN A 53 -2.713 -5.819 -5.521 1.00 0.00 C ATOM 737 CG GLN A 53 -4.196 -5.556 -5.724 1.00 0.00 C ATOM 738 CD GLN A 53 -4.665 -5.906 -7.122 1.00 0.00 C ATOM 739 OE1 GLN A 53 -3.924 -5.756 -8.094 1.00 0.00 O ATOM 740 NE2 GLN A 53 -5.902 -6.377 -7.232 1.00 0.00 N ATOM 0 HA GLN A 53 -2.725 -7.881 -6.129 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -2.361 -5.232 -4.673 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -2.167 -5.471 -6.398 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -4.766 -6.135 -4.998 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -4.405 -4.504 -5.528 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -6.482 -6.485 -6.400 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -6.272 -6.630 -8.148 1.00 0.00 H new ATOM 749 N GLU A 54 -0.173 -7.398 -6.280 1.00 0.00 N ATOM 750 CA GLU A 54 1.276 -7.553 -6.292 1.00 0.00 C ATOM 751 C GLU A 54 1.925 -6.535 -7.226 1.00 0.00 C ATOM 752 O GLU A 54 1.716 -6.568 -8.439 1.00 0.00 O ATOM 753 CB GLU A 54 1.656 -8.971 -6.723 1.00 0.00 C ATOM 754 CG GLU A 54 3.152 -9.237 -6.691 1.00 0.00 C ATOM 755 CD GLU A 54 3.523 -10.563 -7.325 1.00 0.00 C ATOM 756 OE1 GLU A 54 3.657 -10.610 -8.566 1.00 0.00 O ATOM 757 OE2 GLU A 54 3.678 -11.554 -6.582 1.00 0.00 O ATOM 0 H GLU A 54 -0.588 -7.233 -7.197 1.00 0.00 H new ATOM 0 HA GLU A 54 1.642 -7.378 -5.281 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.154 -9.686 -6.071 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.286 -9.146 -7.733 1.00 0.00 H new ATOM 0 HG2 GLU A 54 3.671 -8.432 -7.211 1.00 0.00 H new ATOM 0 HG3 GLU A 54 3.497 -9.224 -5.657 1.00 0.00 H new ATOM 764 N VAL A 55 2.711 -5.631 -6.652 1.00 0.00 N ATOM 765 CA VAL A 55 3.391 -4.603 -7.432 1.00 0.00 C ATOM 766 C VAL A 55 4.903 -4.790 -7.389 1.00 0.00 C ATOM 767 O VAL A 55 5.506 -4.812 -6.316 1.00 0.00 O ATOM 768 CB VAL A 55 3.045 -3.191 -6.922 1.00 0.00 C ATOM 769 CG1 VAL A 55 3.785 -2.136 -7.730 1.00 0.00 C ATOM 770 CG2 VAL A 55 1.542 -2.959 -6.976 1.00 0.00 C ATOM 0 H VAL A 55 2.893 -5.589 -5.649 1.00 0.00 H new ATOM 0 HA VAL A 55 3.044 -4.705 -8.460 1.00 0.00 H new ATOM 0 HB VAL A 55 3.365 -3.110 -5.883 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.528 -1.145 -7.356 1.00 0.00 H new ATOM 0 HG12 VAL A 55 4.860 -2.293 -7.635 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.498 -2.213 -8.779 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.315 -1.957 -6.612 1.00 0.00 H new ATOM 0 HG22 VAL A 55 1.195 -3.059 -8.005 1.00 0.00 H new ATOM 0 HG23 VAL A 55 1.038 -3.695 -6.350 1.00 0.00 H new ATOM 780 N ASP A 56 5.511 -4.925 -8.563 1.00 0.00 N ATOM 781 CA ASP A 56 6.954 -5.109 -8.660 1.00 0.00 C ATOM 782 C ASP A 56 7.585 -4.014 -9.514 1.00 0.00 C ATOM 783 O ASP A 56 7.047 -3.636 -10.553 1.00 0.00 O ATOM 784 CB ASP A 56 7.276 -6.483 -9.251 1.00 0.00 C ATOM 785 CG ASP A 56 6.711 -6.660 -10.647 1.00 0.00 C ATOM 786 OD1 ASP A 56 7.075 -5.865 -11.538 1.00 0.00 O ATOM 787 OD2 ASP A 56 5.904 -7.592 -10.847 1.00 0.00 O ATOM 0 H ASP A 56 5.027 -4.910 -9.460 1.00 0.00 H new ATOM 0 HA ASP A 56 7.372 -5.047 -7.655 1.00 0.00 H new ATOM 0 HB2 ASP A 56 8.357 -6.618 -9.280 1.00 0.00 H new ATOM 0 HB3 ASP A 56 6.875 -7.259 -8.599 1.00 0.00 H new ATOM 792 N GLY A 57 8.730 -3.508 -9.067 1.00 0.00 N ATOM 793 CA GLY A 57 9.415 -2.460 -9.801 1.00 0.00 C ATOM 794 C GLY A 57 9.600 -1.201 -8.978 1.00 0.00 C ATOM 795 O GLY A 57 9.728 -0.106 -9.525 1.00 0.00 O ATOM 0 H GLY A 57 9.196 -3.805 -8.210 1.00 0.00 H new ATOM 0 HA2 GLY A 57 10.390 -2.825 -10.125 1.00 0.00 H new ATOM 0 HA3 GLY A 57 8.849 -2.222 -10.701 1.00 0.00 H new ATOM 799 N VAL A 58 9.612 -1.355 -7.658 1.00 0.00 N ATOM 800 CA VAL A 58 9.781 -0.221 -6.757 1.00 0.00 C ATOM 801 C VAL A 58 11.233 -0.085 -6.312 1.00 0.00 C ATOM 802 O VAL A 58 11.631 -0.633 -5.284 1.00 0.00 O ATOM 803 CB VAL A 58 8.884 -0.354 -5.512 1.00 0.00 C ATOM 804 CG1 VAL A 58 8.863 0.949 -4.727 1.00 0.00 C ATOM 805 CG2 VAL A 58 7.476 -0.767 -5.913 1.00 0.00 C ATOM 0 H VAL A 58 9.507 -2.254 -7.188 1.00 0.00 H new ATOM 0 HA VAL A 58 9.489 0.670 -7.312 1.00 0.00 H new ATOM 0 HB VAL A 58 9.297 -1.131 -4.869 1.00 0.00 H new ATOM 0 HG11 VAL A 58 8.224 0.836 -3.851 1.00 0.00 H new ATOM 0 HG12 VAL A 58 9.875 1.198 -4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 58 8.475 1.748 -5.359 1.00 0.00 H new ATOM 0 HG21 VAL A 58 6.855 -0.856 -5.021 1.00 0.00 H new ATOM 0 HG22 VAL A 58 7.051 -0.014 -6.577 1.00 0.00 H new ATOM 0 HG23 VAL A 58 7.511 -1.727 -6.428 1.00 0.00 H new ATOM 815 N ALA A 59 12.019 0.650 -7.091 1.00 0.00 N ATOM 816 CA ALA A 59 13.426 0.861 -6.776 1.00 0.00 C ATOM 817 C ALA A 59 13.614 2.093 -5.898 1.00 0.00 C ATOM 818 O ALA A 59 14.608 2.810 -6.020 1.00 0.00 O ATOM 819 CB ALA A 59 14.240 0.992 -8.055 1.00 0.00 C ATOM 0 H ALA A 59 11.705 1.110 -7.946 1.00 0.00 H new ATOM 0 HA ALA A 59 13.782 -0.006 -6.220 1.00 0.00 H new ATOM 0 HB1 ALA A 59 15.289 1.149 -7.804 1.00 0.00 H new ATOM 0 HB2 ALA A 59 14.141 0.081 -8.645 1.00 0.00 H new ATOM 0 HB3 ALA A 59 13.874 1.840 -8.634 1.00 0.00 H new ATOM 825 N THR A 60 12.652 2.336 -5.014 1.00 0.00 N ATOM 826 CA THR A 60 12.710 3.483 -4.117 1.00 0.00 C ATOM 827 C THR A 60 12.132 3.141 -2.748 1.00 0.00 C ATOM 828 O THR A 60 11.510 2.094 -2.569 1.00 0.00 O ATOM 829 CB THR A 60 11.947 4.689 -4.697 1.00 0.00 C ATOM 830 OG1 THR A 60 10.687 4.263 -5.227 1.00 0.00 O ATOM 831 CG2 THR A 60 12.759 5.368 -5.789 1.00 0.00 C ATOM 0 H THR A 60 11.823 1.753 -4.900 1.00 0.00 H new ATOM 0 HA THR A 60 13.762 3.746 -4.008 1.00 0.00 H new ATOM 0 HB THR A 60 11.778 5.405 -3.893 1.00 0.00 H new ATOM 0 HG1 THR A 60 9.962 4.604 -4.662 1.00 0.00 H new ATOM 0 HG21 THR A 60 12.200 6.217 -6.184 1.00 0.00 H new ATOM 0 HG22 THR A 60 13.705 5.717 -5.375 1.00 0.00 H new ATOM 0 HG23 THR A 60 12.955 4.657 -6.592 1.00 0.00 H new ATOM 839 N THR A 61 12.339 4.032 -1.784 1.00 0.00 N ATOM 840 CA THR A 61 11.839 3.824 -0.431 1.00 0.00 C ATOM 841 C THR A 61 10.415 4.347 -0.285 1.00 0.00 C ATOM 842 O THR A 61 9.722 4.028 0.682 1.00 0.00 O ATOM 843 CB THR A 61 12.737 4.516 0.613 1.00 0.00 C ATOM 844 OG1 THR A 61 12.987 5.871 0.223 1.00 0.00 O ATOM 845 CG2 THR A 61 14.057 3.775 0.767 1.00 0.00 C ATOM 0 H THR A 61 12.850 4.905 -1.915 1.00 0.00 H new ATOM 0 HA THR A 61 11.849 2.749 -0.253 1.00 0.00 H new ATOM 0 HB THR A 61 12.218 4.504 1.571 1.00 0.00 H new ATOM 0 HG1 THR A 61 13.557 6.304 0.892 1.00 0.00 H new ATOM 0 HG21 THR A 61 14.674 4.282 1.509 1.00 0.00 H new ATOM 0 HG22 THR A 61 13.865 2.753 1.092 1.00 0.00 H new ATOM 0 HG23 THR A 61 14.579 3.759 -0.190 1.00 0.00 H new ATOM 853 N ARG A 62 9.983 5.152 -1.250 1.00 0.00 N ATOM 854 CA ARG A 62 8.640 5.720 -1.228 1.00 0.00 C ATOM 855 C ARG A 62 7.846 5.284 -2.457 1.00 0.00 C ATOM 856 O ARG A 62 8.371 5.258 -3.570 1.00 0.00 O ATOM 857 CB ARG A 62 8.710 7.246 -1.168 1.00 0.00 C ATOM 858 CG ARG A 62 7.366 7.908 -0.905 1.00 0.00 C ATOM 859 CD ARG A 62 7.508 9.413 -0.748 1.00 0.00 C ATOM 860 NE ARG A 62 6.234 10.105 -0.929 1.00 0.00 N ATOM 861 CZ ARG A 62 6.115 11.427 -0.974 1.00 0.00 C ATOM 862 NH1 ARG A 62 7.188 12.197 -0.853 1.00 0.00 N ATOM 863 NH2 ARG A 62 4.922 11.982 -1.141 1.00 0.00 N ATOM 0 H ARG A 62 10.543 5.426 -2.057 1.00 0.00 H new ATOM 0 HA ARG A 62 8.131 5.352 -0.338 1.00 0.00 H new ATOM 0 HB2 ARG A 62 9.409 7.539 -0.385 1.00 0.00 H new ATOM 0 HB3 ARG A 62 9.112 7.620 -2.110 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.684 7.690 -1.727 1.00 0.00 H new ATOM 0 HG3 ARG A 62 6.922 7.487 -0.003 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.905 9.638 0.242 1.00 0.00 H new ATOM 0 HD3 ARG A 62 8.230 9.787 -1.474 1.00 0.00 H new ATOM 0 HE ARG A 62 5.389 9.542 -1.026 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.107 11.774 -0.725 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.094 13.212 -0.888 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.094 11.393 -1.235 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.832 12.997 -1.175 1.00 0.00 H new ATOM 877 N TYR A 63 6.579 4.944 -2.245 1.00 0.00 N ATOM 878 CA TYR A 63 5.714 4.508 -3.334 1.00 0.00 C ATOM 879 C TYR A 63 4.255 4.843 -3.039 1.00 0.00 C ATOM 880 O TYR A 63 3.825 4.829 -1.886 1.00 0.00 O ATOM 881 CB TYR A 63 5.866 3.003 -3.563 1.00 0.00 C ATOM 882 CG TYR A 63 5.033 2.477 -4.710 1.00 0.00 C ATOM 883 CD1 TYR A 63 3.703 2.124 -4.524 1.00 0.00 C ATOM 884 CD2 TYR A 63 5.578 2.335 -5.981 1.00 0.00 C ATOM 885 CE1 TYR A 63 2.939 1.643 -5.570 1.00 0.00 C ATOM 886 CE2 TYR A 63 4.820 1.856 -7.033 1.00 0.00 C ATOM 887 CZ TYR A 63 3.502 1.511 -6.822 1.00 0.00 C ATOM 888 OH TYR A 63 2.744 1.033 -7.866 1.00 0.00 O ATOM 0 H TYR A 63 6.129 4.962 -1.330 1.00 0.00 H new ATOM 0 HA TYR A 63 6.015 5.039 -4.237 1.00 0.00 H new ATOM 0 HB2 TYR A 63 6.915 2.777 -3.754 1.00 0.00 H new ATOM 0 HB3 TYR A 63 5.587 2.475 -2.651 1.00 0.00 H new ATOM 0 HD1 TYR A 63 3.258 2.227 -3.545 1.00 0.00 H new ATOM 0 HD2 TYR A 63 6.611 2.603 -6.149 1.00 0.00 H new ATOM 0 HE1 TYR A 63 1.906 1.372 -5.408 1.00 0.00 H new ATOM 0 HE2 TYR A 63 5.258 1.753 -8.015 1.00 0.00 H new ATOM 0 HH TYR A 63 3.290 1.002 -8.679 1.00 0.00 H new ATOM 898 N SER A 64 3.499 5.144 -4.090 1.00 0.00 N ATOM 899 CA SER A 64 2.089 5.487 -3.944 1.00 0.00 C ATOM 900 C SER A 64 1.207 4.473 -4.667 1.00 0.00 C ATOM 901 O SER A 64 1.548 3.997 -5.750 1.00 0.00 O ATOM 902 CB SER A 64 1.825 6.891 -4.491 1.00 0.00 C ATOM 903 OG SER A 64 1.795 6.890 -5.908 1.00 0.00 O ATOM 0 H SER A 64 3.839 5.157 -5.052 1.00 0.00 H new ATOM 0 HA SER A 64 1.843 5.466 -2.882 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.876 7.263 -4.104 1.00 0.00 H new ATOM 0 HB3 SER A 64 2.600 7.573 -4.141 1.00 0.00 H new ATOM 0 HG SER A 64 1.623 7.799 -6.232 1.00 0.00 H new ATOM 909 N ILE A 65 0.071 4.148 -4.059 1.00 0.00 N ATOM 910 CA ILE A 65 -0.862 3.193 -4.644 1.00 0.00 C ATOM 911 C ILE A 65 -2.075 3.901 -5.237 1.00 0.00 C ATOM 912 O ILE A 65 -2.499 4.945 -4.745 1.00 0.00 O ATOM 913 CB ILE A 65 -1.341 2.164 -3.602 1.00 0.00 C ATOM 914 CG1 ILE A 65 -0.155 1.360 -3.065 1.00 0.00 C ATOM 915 CG2 ILE A 65 -2.382 1.238 -4.212 1.00 0.00 C ATOM 916 CD1 ILE A 65 0.544 2.020 -1.897 1.00 0.00 C ATOM 0 H ILE A 65 -0.225 4.532 -3.162 1.00 0.00 H new ATOM 0 HA ILE A 65 -0.325 2.673 -5.437 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.801 2.698 -2.770 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.504 0.374 -2.759 1.00 0.00 H new ATOM 0 HG13 ILE A 65 0.564 1.208 -3.870 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.711 0.517 -3.464 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.236 1.824 -4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.946 0.709 -5.059 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.374 1.394 -1.569 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.924 2.995 -2.204 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -0.161 2.147 -1.076 1.00 0.00 H new ATOM 928 N GLY A 66 -2.630 3.323 -6.298 1.00 0.00 N ATOM 929 CA GLY A 66 -3.791 3.912 -6.941 1.00 0.00 C ATOM 930 C GLY A 66 -4.786 2.868 -7.408 1.00 0.00 C ATOM 931 O GLY A 66 -4.423 1.718 -7.650 1.00 0.00 O ATOM 0 H GLY A 66 -2.297 2.458 -6.724 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -4.282 4.592 -6.245 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.467 4.508 -7.794 1.00 0.00 H new ATOM 935 N GLY A 67 -6.048 3.270 -7.533 1.00 0.00 N ATOM 936 CA GLY A 67 -7.080 2.349 -7.971 1.00 0.00 C ATOM 937 C GLY A 67 -7.856 1.754 -6.814 1.00 0.00 C ATOM 938 O GLY A 67 -8.182 0.566 -6.819 1.00 0.00 O ATOM 0 H GLY A 67 -6.373 4.217 -7.339 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.769 2.870 -8.636 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.624 1.546 -8.550 1.00 0.00 H new ATOM 942 N LEU A 68 -8.153 2.580 -5.816 1.00 0.00 N ATOM 943 CA LEU A 68 -8.895 2.129 -4.644 1.00 0.00 C ATOM 944 C LEU A 68 -10.248 2.828 -4.554 1.00 0.00 C ATOM 945 O LEU A 68 -10.620 3.598 -5.439 1.00 0.00 O ATOM 946 CB LEU A 68 -8.087 2.390 -3.372 1.00 0.00 C ATOM 947 CG LEU A 68 -6.655 1.854 -3.365 1.00 0.00 C ATOM 948 CD1 LEU A 68 -5.904 2.355 -2.141 1.00 0.00 C ATOM 949 CD2 LEU A 68 -6.654 0.333 -3.408 1.00 0.00 C ATOM 0 H LEU A 68 -7.891 3.566 -5.795 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.067 1.057 -4.744 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -8.052 3.466 -3.202 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.622 1.952 -2.529 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.145 2.223 -4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -4.887 1.964 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.874 3.445 -2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.413 2.017 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -5.626 -0.030 -3.402 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.181 -0.056 -2.537 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.154 -0.006 -4.316 1.00 0.00 H new ATOM 961 N SER A 69 -10.978 2.556 -3.477 1.00 0.00 N ATOM 962 CA SER A 69 -12.290 3.158 -3.271 1.00 0.00 C ATOM 963 C SER A 69 -12.243 4.194 -2.153 1.00 0.00 C ATOM 964 O SER A 69 -11.539 4.037 -1.155 1.00 0.00 O ATOM 965 CB SER A 69 -13.323 2.079 -2.939 1.00 0.00 C ATOM 966 OG SER A 69 -14.616 2.459 -3.376 1.00 0.00 O ATOM 0 H SER A 69 -10.683 1.923 -2.734 1.00 0.00 H new ATOM 0 HA SER A 69 -12.582 3.659 -4.194 1.00 0.00 H new ATOM 0 HB2 SER A 69 -13.037 1.140 -3.412 1.00 0.00 H new ATOM 0 HB3 SER A 69 -13.336 1.903 -1.863 1.00 0.00 H new ATOM 0 HG SER A 69 -15.073 2.947 -2.660 1.00 0.00 H new ATOM 972 N PRO A 70 -13.011 5.281 -2.322 1.00 0.00 N ATOM 973 CA PRO A 70 -13.075 6.365 -1.337 1.00 0.00 C ATOM 974 C PRO A 70 -13.785 5.943 -0.055 1.00 0.00 C ATOM 975 O PRO A 70 -14.771 5.206 -0.093 1.00 0.00 O ATOM 976 CB PRO A 70 -13.877 7.452 -2.059 1.00 0.00 C ATOM 977 CG PRO A 70 -14.702 6.715 -3.056 1.00 0.00 C ATOM 978 CD PRO A 70 -13.875 5.535 -3.486 1.00 0.00 C ATOM 0 HA PRO A 70 -12.083 6.686 -1.020 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -14.503 8.011 -1.363 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -13.219 8.173 -2.545 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -15.646 6.391 -2.618 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -14.947 7.351 -3.907 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -14.498 4.672 -3.720 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -13.291 5.758 -4.379 1.00 0.00 H new ATOM 986 N PHE A 71 -13.278 6.414 1.079 1.00 0.00 N ATOM 987 CA PHE A 71 -13.863 6.084 2.373 1.00 0.00 C ATOM 988 C PHE A 71 -13.778 4.585 2.643 1.00 0.00 C ATOM 989 O PHE A 71 -14.683 3.998 3.236 1.00 0.00 O ATOM 990 CB PHE A 71 -15.322 6.542 2.429 1.00 0.00 C ATOM 991 CG PHE A 71 -15.795 6.871 3.816 1.00 0.00 C ATOM 992 CD1 PHE A 71 -15.069 7.732 4.624 1.00 0.00 C ATOM 993 CD2 PHE A 71 -16.965 6.320 4.312 1.00 0.00 C ATOM 994 CE1 PHE A 71 -15.502 8.036 5.901 1.00 0.00 C ATOM 995 CE2 PHE A 71 -17.403 6.621 5.588 1.00 0.00 C ATOM 996 CZ PHE A 71 -16.671 7.480 6.383 1.00 0.00 C ATOM 0 H PHE A 71 -12.463 7.026 1.128 1.00 0.00 H new ATOM 0 HA PHE A 71 -13.296 6.606 3.143 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -15.443 7.420 1.795 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -15.956 5.759 2.014 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -14.155 8.170 4.252 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -17.542 5.647 3.695 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -14.927 8.708 6.521 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -18.317 6.185 5.963 1.00 0.00 H new ATOM 0 HZ PHE A 71 -17.012 7.717 7.380 1.00 0.00 H new ATOM 1006 N SER A 72 -12.685 3.971 2.201 1.00 0.00 N ATOM 1007 CA SER A 72 -12.483 2.539 2.390 1.00 0.00 C ATOM 1008 C SER A 72 -11.233 2.272 3.222 1.00 0.00 C ATOM 1009 O SER A 72 -10.534 3.201 3.626 1.00 0.00 O ATOM 1010 CB SER A 72 -12.368 1.836 1.036 1.00 0.00 C ATOM 1011 OG SER A 72 -11.153 2.172 0.389 1.00 0.00 O ATOM 0 H SER A 72 -11.926 4.443 1.710 1.00 0.00 H new ATOM 0 HA SER A 72 -13.346 2.143 2.925 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.422 0.757 1.177 1.00 0.00 H new ATOM 0 HB3 SER A 72 -13.210 2.117 0.404 1.00 0.00 H new ATOM 0 HG SER A 72 -11.345 2.528 -0.504 1.00 0.00 H new ATOM 1017 N GLU A 73 -10.959 0.996 3.474 1.00 0.00 N ATOM 1018 CA GLU A 73 -9.793 0.606 4.259 1.00 0.00 C ATOM 1019 C GLU A 73 -9.007 -0.496 3.555 1.00 0.00 C ATOM 1020 O GLU A 73 -9.581 -1.473 3.073 1.00 0.00 O ATOM 1021 CB GLU A 73 -10.222 0.133 5.650 1.00 0.00 C ATOM 1022 CG GLU A 73 -9.109 0.187 6.682 1.00 0.00 C ATOM 1023 CD GLU A 73 -9.039 1.523 7.395 1.00 0.00 C ATOM 1024 OE1 GLU A 73 -10.102 2.035 7.802 1.00 0.00 O ATOM 1025 OE2 GLU A 73 -7.920 2.056 7.547 1.00 0.00 O ATOM 0 H GLU A 73 -11.528 0.215 3.146 1.00 0.00 H new ATOM 0 HA GLU A 73 -9.148 1.479 4.363 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -11.054 0.748 5.993 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -10.590 -0.890 5.579 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.260 -0.605 7.416 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -8.155 -0.010 6.193 1.00 0.00 H new ATOM 1032 N TYR A 74 -7.690 -0.331 3.499 1.00 0.00 N ATOM 1033 CA TYR A 74 -6.824 -1.309 2.851 1.00 0.00 C ATOM 1034 C TYR A 74 -5.547 -1.523 3.657 1.00 0.00 C ATOM 1035 O TYR A 74 -5.041 -0.602 4.297 1.00 0.00 O ATOM 1036 CB TYR A 74 -6.475 -0.853 1.433 1.00 0.00 C ATOM 1037 CG TYR A 74 -7.581 -1.093 0.431 1.00 0.00 C ATOM 1038 CD1 TYR A 74 -8.692 -0.260 0.380 1.00 0.00 C ATOM 1039 CD2 TYR A 74 -7.516 -2.153 -0.465 1.00 0.00 C ATOM 1040 CE1 TYR A 74 -9.706 -0.476 -0.534 1.00 0.00 C ATOM 1041 CE2 TYR A 74 -8.523 -2.376 -1.383 1.00 0.00 C ATOM 1042 CZ TYR A 74 -9.616 -1.535 -1.414 1.00 0.00 C ATOM 1043 OH TYR A 74 -10.623 -1.755 -2.326 1.00 0.00 O ATOM 0 H TYR A 74 -7.199 0.471 3.894 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.363 -2.255 2.799 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -6.237 0.210 1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.577 -1.376 1.103 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -8.764 0.571 1.066 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -6.662 -2.814 -0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.564 0.180 -0.559 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -8.455 -3.204 -2.073 1.00 0.00 H new ATOM 0 HH TYR A 74 -10.405 -2.539 -2.871 1.00 0.00 H new ATOM 1053 N ALA A 75 -5.030 -2.747 3.620 1.00 0.00 N ATOM 1054 CA ALA A 75 -3.811 -3.084 4.343 1.00 0.00 C ATOM 1055 C ALA A 75 -2.626 -3.215 3.392 1.00 0.00 C ATOM 1056 O ALA A 75 -2.579 -4.126 2.565 1.00 0.00 O ATOM 1057 CB ALA A 75 -4.003 -4.372 5.130 1.00 0.00 C ATOM 0 H ALA A 75 -5.437 -3.522 3.096 1.00 0.00 H new ATOM 0 HA ALA A 75 -3.596 -2.274 5.040 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.084 -4.612 5.665 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -4.816 -4.244 5.844 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.246 -5.184 4.445 1.00 0.00 H new ATOM 1063 N PHE A 76 -1.671 -2.299 3.514 1.00 0.00 N ATOM 1064 CA PHE A 76 -0.486 -2.312 2.664 1.00 0.00 C ATOM 1065 C PHE A 76 0.674 -3.018 3.358 1.00 0.00 C ATOM 1066 O PHE A 76 0.714 -3.111 4.585 1.00 0.00 O ATOM 1067 CB PHE A 76 -0.082 -0.882 2.296 1.00 0.00 C ATOM 1068 CG PHE A 76 -1.188 -0.092 1.656 1.00 0.00 C ATOM 1069 CD1 PHE A 76 -1.460 -0.226 0.304 1.00 0.00 C ATOM 1070 CD2 PHE A 76 -1.954 0.784 2.407 1.00 0.00 C ATOM 1071 CE1 PHE A 76 -2.477 0.499 -0.287 1.00 0.00 C ATOM 1072 CE2 PHE A 76 -2.973 1.512 1.821 1.00 0.00 C ATOM 1073 CZ PHE A 76 -3.234 1.370 0.472 1.00 0.00 C ATOM 0 H PHE A 76 -1.694 -1.538 4.193 1.00 0.00 H new ATOM 0 HA PHE A 76 -0.728 -2.860 1.753 1.00 0.00 H new ATOM 0 HB2 PHE A 76 0.250 -0.364 3.196 1.00 0.00 H new ATOM 0 HB3 PHE A 76 0.769 -0.917 1.616 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -0.871 -0.905 -0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.753 0.900 3.462 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -2.680 0.385 -1.342 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -3.564 2.191 2.417 1.00 0.00 H new ATOM 0 HZ PHE A 76 -4.028 1.939 0.012 1.00 0.00 H new ATOM 1083 N ARG A 77 1.617 -3.514 2.564 1.00 0.00 N ATOM 1084 CA ARG A 77 2.778 -4.213 3.101 1.00 0.00 C ATOM 1085 C ARG A 77 3.883 -4.317 2.053 1.00 0.00 C ATOM 1086 O ARG A 77 3.707 -4.947 1.010 1.00 0.00 O ATOM 1087 CB ARG A 77 2.382 -5.611 3.579 1.00 0.00 C ATOM 1088 CG ARG A 77 2.138 -6.596 2.448 1.00 0.00 C ATOM 1089 CD ARG A 77 1.077 -7.620 2.820 1.00 0.00 C ATOM 1090 NE ARG A 77 1.639 -8.747 3.559 1.00 0.00 N ATOM 1091 CZ ARG A 77 0.933 -9.509 4.386 1.00 0.00 C ATOM 1092 NH1 ARG A 77 -0.357 -9.268 4.578 1.00 0.00 N ATOM 1093 NH2 ARG A 77 1.516 -10.517 5.024 1.00 0.00 N ATOM 0 H ARG A 77 1.600 -3.445 1.547 1.00 0.00 H new ATOM 0 HA ARG A 77 3.156 -3.640 3.948 1.00 0.00 H new ATOM 0 HB2 ARG A 77 3.168 -6.001 4.225 1.00 0.00 H new ATOM 0 HB3 ARG A 77 1.479 -5.536 4.185 1.00 0.00 H new ATOM 0 HG2 ARG A 77 1.826 -6.055 1.554 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.069 -7.108 2.202 1.00 0.00 H new ATOM 0 HD2 ARG A 77 0.306 -7.140 3.422 1.00 0.00 H new ATOM 0 HD3 ARG A 77 0.593 -7.986 1.914 1.00 0.00 H new ATOM 0 HE ARG A 77 2.628 -8.961 3.433 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -0.810 -8.495 4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -0.896 -9.855 5.214 1.00 0.00 H new ATOM 0 HH21 ARG A 77 2.508 -10.707 4.879 1.00 0.00 H new ATOM 0 HH22 ARG A 77 0.972 -11.101 5.659 1.00 0.00 H new ATOM 1107 N VAL A 78 5.022 -3.694 2.338 1.00 0.00 N ATOM 1108 CA VAL A 78 6.156 -3.717 1.422 1.00 0.00 C ATOM 1109 C VAL A 78 7.094 -4.877 1.737 1.00 0.00 C ATOM 1110 O VAL A 78 7.147 -5.358 2.870 1.00 0.00 O ATOM 1111 CB VAL A 78 6.950 -2.398 1.479 1.00 0.00 C ATOM 1112 CG1 VAL A 78 8.020 -2.372 0.398 1.00 0.00 C ATOM 1113 CG2 VAL A 78 6.014 -1.207 1.344 1.00 0.00 C ATOM 0 H VAL A 78 5.184 -3.167 3.196 1.00 0.00 H new ATOM 0 HA VAL A 78 5.750 -3.845 0.419 1.00 0.00 H new ATOM 0 HB VAL A 78 7.445 -2.333 2.448 1.00 0.00 H new ATOM 0 HG11 VAL A 78 8.571 -1.433 0.454 1.00 0.00 H new ATOM 0 HG12 VAL A 78 8.707 -3.205 0.546 1.00 0.00 H new ATOM 0 HG13 VAL A 78 7.550 -2.459 -0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.592 -0.284 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 78 5.489 -1.263 0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 78 5.290 -1.219 2.158 1.00 0.00 H new ATOM 1123 N LEU A 79 7.835 -5.322 0.728 1.00 0.00 N ATOM 1124 CA LEU A 79 8.773 -6.426 0.896 1.00 0.00 C ATOM 1125 C LEU A 79 9.993 -6.245 -0.002 1.00 0.00 C ATOM 1126 O LEU A 79 9.872 -5.836 -1.155 1.00 0.00 O ATOM 1127 CB LEU A 79 8.087 -7.757 0.582 1.00 0.00 C ATOM 1128 CG LEU A 79 7.445 -7.871 -0.801 1.00 0.00 C ATOM 1129 CD1 LEU A 79 8.444 -8.416 -1.810 1.00 0.00 C ATOM 1130 CD2 LEU A 79 6.207 -8.754 -0.743 1.00 0.00 C ATOM 0 H LEU A 79 7.804 -4.935 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 79 9.106 -6.432 1.934 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.822 -8.555 0.686 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.317 -7.932 1.334 1.00 0.00 H new ATOM 0 HG LEU A 79 7.142 -6.875 -1.123 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.969 -8.490 -2.788 1.00 0.00 H new ATOM 0 HD12 LEU A 79 9.301 -7.745 -1.872 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.779 -9.404 -1.493 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.763 -8.824 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.486 -9.750 -0.399 1.00 0.00 H new ATOM 0 HD23 LEU A 79 5.484 -8.321 -0.052 1.00 0.00 H new ATOM 1142 N ALA A 80 11.168 -6.556 0.536 1.00 0.00 N ATOM 1143 CA ALA A 80 12.410 -6.432 -0.217 1.00 0.00 C ATOM 1144 C ALA A 80 12.600 -7.616 -1.160 1.00 0.00 C ATOM 1145 O ALA A 80 12.285 -8.755 -0.815 1.00 0.00 O ATOM 1146 CB ALA A 80 13.593 -6.316 0.731 1.00 0.00 C ATOM 0 H ALA A 80 11.286 -6.896 1.491 1.00 0.00 H new ATOM 0 HA ALA A 80 12.352 -5.526 -0.820 1.00 0.00 H new ATOM 0 HB1 ALA A 80 14.514 -6.224 0.155 1.00 0.00 H new ATOM 0 HB2 ALA A 80 13.470 -5.435 1.361 1.00 0.00 H new ATOM 0 HB3 ALA A 80 13.645 -7.206 1.358 1.00 0.00 H new ATOM 1152 N VAL A 81 13.117 -7.339 -2.353 1.00 0.00 N ATOM 1153 CA VAL A 81 13.349 -8.381 -3.346 1.00 0.00 C ATOM 1154 C VAL A 81 14.741 -8.257 -3.957 1.00 0.00 C ATOM 1155 O VAL A 81 15.247 -7.154 -4.154 1.00 0.00 O ATOM 1156 CB VAL A 81 12.300 -8.327 -4.472 1.00 0.00 C ATOM 1157 CG1 VAL A 81 12.445 -9.528 -5.395 1.00 0.00 C ATOM 1158 CG2 VAL A 81 10.897 -8.257 -3.890 1.00 0.00 C ATOM 0 H VAL A 81 13.383 -6.402 -2.655 1.00 0.00 H new ATOM 0 HA VAL A 81 13.266 -9.336 -2.828 1.00 0.00 H new ATOM 0 HB VAL A 81 12.469 -7.425 -5.060 1.00 0.00 H new ATOM 0 HG11 VAL A 81 11.695 -9.473 -6.184 1.00 0.00 H new ATOM 0 HG12 VAL A 81 13.440 -9.528 -5.839 1.00 0.00 H new ATOM 0 HG13 VAL A 81 12.303 -10.445 -4.824 1.00 0.00 H new ATOM 0 HG21 VAL A 81 10.169 -8.219 -4.700 1.00 0.00 H new ATOM 0 HG22 VAL A 81 10.713 -9.139 -3.277 1.00 0.00 H new ATOM 0 HG23 VAL A 81 10.802 -7.362 -3.275 1.00 0.00 H new ATOM 1168 N ASN A 82 15.354 -9.399 -4.253 1.00 0.00 N ATOM 1169 CA ASN A 82 16.688 -9.419 -4.842 1.00 0.00 C ATOM 1170 C ASN A 82 16.886 -10.665 -5.700 1.00 0.00 C ATOM 1171 O ASN A 82 15.972 -11.474 -5.857 1.00 0.00 O ATOM 1172 CB ASN A 82 17.753 -9.367 -3.744 1.00 0.00 C ATOM 1173 CG ASN A 82 17.780 -10.630 -2.905 1.00 0.00 C ATOM 1174 OD1 ASN A 82 17.399 -11.705 -3.369 1.00 0.00 O ATOM 1175 ND2 ASN A 82 18.232 -10.505 -1.663 1.00 0.00 N ATOM 0 H ASN A 82 14.949 -10.321 -4.095 1.00 0.00 H new ATOM 0 HA ASN A 82 16.790 -8.541 -5.480 1.00 0.00 H new ATOM 0 HB2 ASN A 82 18.732 -9.215 -4.198 1.00 0.00 H new ATOM 0 HB3 ASN A 82 17.564 -8.509 -3.099 1.00 0.00 H new ATOM 0 HD21 ASN A 82 18.274 -11.320 -1.051 1.00 0.00 H new ATOM 0 HD22 ASN A 82 18.537 -9.594 -1.321 1.00 0.00 H new ATOM 1182 N SER A 83 18.086 -10.813 -6.252 1.00 0.00 N ATOM 1183 CA SER A 83 18.403 -11.958 -7.096 1.00 0.00 C ATOM 1184 C SER A 83 18.044 -13.265 -6.396 1.00 0.00 C ATOM 1185 O SER A 83 17.656 -14.241 -7.040 1.00 0.00 O ATOM 1186 CB SER A 83 19.889 -11.954 -7.461 1.00 0.00 C ATOM 1187 OG SER A 83 20.128 -11.168 -8.615 1.00 0.00 O ATOM 0 H SER A 83 18.855 -10.154 -6.130 1.00 0.00 H new ATOM 0 HA SER A 83 17.812 -11.880 -8.008 1.00 0.00 H new ATOM 0 HB2 SER A 83 20.471 -11.565 -6.625 1.00 0.00 H new ATOM 0 HB3 SER A 83 20.226 -12.975 -7.637 1.00 0.00 H new ATOM 0 HG SER A 83 21.085 -11.180 -8.827 1.00 0.00 H new ATOM 1193 N ILE A 84 18.176 -13.277 -5.074 1.00 0.00 N ATOM 1194 CA ILE A 84 17.864 -14.463 -4.286 1.00 0.00 C ATOM 1195 C ILE A 84 16.361 -14.719 -4.249 1.00 0.00 C ATOM 1196 O ILE A 84 15.895 -15.796 -4.618 1.00 0.00 O ATOM 1197 CB ILE A 84 18.387 -14.333 -2.843 1.00 0.00 C ATOM 1198 CG1 ILE A 84 19.805 -13.759 -2.841 1.00 0.00 C ATOM 1199 CG2 ILE A 84 18.356 -15.685 -2.145 1.00 0.00 C ATOM 1200 CD1 ILE A 84 20.782 -14.558 -3.675 1.00 0.00 C ATOM 0 H ILE A 84 18.497 -12.479 -4.526 1.00 0.00 H new ATOM 0 HA ILE A 84 18.361 -15.304 -4.770 1.00 0.00 H new ATOM 0 HB ILE A 84 17.738 -13.649 -2.297 1.00 0.00 H new ATOM 0 HG12 ILE A 84 19.774 -12.735 -3.214 1.00 0.00 H new ATOM 0 HG13 ILE A 84 20.168 -13.714 -1.814 1.00 0.00 H new ATOM 0 HG21 ILE A 84 18.728 -15.577 -1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 84 17.332 -16.058 -2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 84 18.985 -16.390 -2.689 1.00 0.00 H new ATOM 0 HD11 ILE A 84 21.767 -14.093 -3.627 1.00 0.00 H new ATOM 0 HD12 ILE A 84 20.842 -15.576 -3.289 1.00 0.00 H new ATOM 0 HD13 ILE A 84 20.442 -14.582 -4.710 1.00 0.00 H new ATOM 1212 N GLY A 85 15.607 -13.719 -3.802 1.00 0.00 N ATOM 1213 CA GLY A 85 14.164 -13.855 -3.726 1.00 0.00 C ATOM 1214 C GLY A 85 13.519 -12.752 -2.911 1.00 0.00 C ATOM 1215 O GLY A 85 14.210 -11.960 -2.269 1.00 0.00 O ATOM 0 H GLY A 85 15.970 -12.818 -3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 85 13.748 -13.848 -4.734 1.00 0.00 H new ATOM 0 HA3 GLY A 85 13.916 -14.821 -3.285 1.00 0.00 H new ATOM 1219 N ARG A 86 12.192 -12.699 -2.936 1.00 0.00 N ATOM 1220 CA ARG A 86 11.454 -11.682 -2.195 1.00 0.00 C ATOM 1221 C ARG A 86 11.227 -12.119 -0.751 1.00 0.00 C ATOM 1222 O ARG A 86 10.605 -13.150 -0.494 1.00 0.00 O ATOM 1223 CB ARG A 86 10.111 -11.402 -2.872 1.00 0.00 C ATOM 1224 CG ARG A 86 9.187 -12.608 -2.913 1.00 0.00 C ATOM 1225 CD ARG A 86 8.045 -12.401 -3.896 1.00 0.00 C ATOM 1226 NE ARG A 86 8.430 -12.744 -5.263 1.00 0.00 N ATOM 1227 CZ ARG A 86 8.770 -13.970 -5.645 1.00 0.00 C ATOM 1228 NH1 ARG A 86 8.772 -14.964 -4.768 1.00 0.00 N ATOM 1229 NH2 ARG A 86 9.108 -14.203 -6.907 1.00 0.00 N ATOM 0 H ARG A 86 11.605 -13.348 -3.461 1.00 0.00 H new ATOM 0 HA ARG A 86 12.048 -10.768 -2.190 1.00 0.00 H new ATOM 0 HB2 ARG A 86 9.611 -10.589 -2.345 1.00 0.00 H new ATOM 0 HB3 ARG A 86 10.292 -11.058 -3.891 1.00 0.00 H new ATOM 0 HG2 ARG A 86 9.756 -13.494 -3.195 1.00 0.00 H new ATOM 0 HG3 ARG A 86 8.783 -12.792 -1.918 1.00 0.00 H new ATOM 0 HD2 ARG A 86 7.193 -13.011 -3.596 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.721 -11.361 -3.861 1.00 0.00 H new ATOM 0 HE ARG A 86 8.438 -12.001 -5.962 1.00 0.00 H new ATOM 0 HH11 ARG A 86 8.512 -14.788 -3.797 1.00 0.00 H new ATOM 0 HH12 ARG A 86 9.033 -15.905 -5.064 1.00 0.00 H new ATOM 0 HH21 ARG A 86 9.107 -13.440 -7.584 1.00 0.00 H new ATOM 0 HH22 ARG A 86 9.369 -15.145 -7.200 1.00 0.00 H new ATOM 1243 N GLY A 87 11.736 -11.328 0.189 1.00 0.00 N ATOM 1244 CA GLY A 87 11.579 -11.650 1.595 1.00 0.00 C ATOM 1245 C GLY A 87 10.163 -11.422 2.088 1.00 0.00 C ATOM 1246 O GLY A 87 9.261 -11.094 1.317 1.00 0.00 O ATOM 0 H GLY A 87 12.254 -10.470 0.001 1.00 0.00 H new ATOM 0 HA2 GLY A 87 11.854 -12.692 1.759 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.267 -11.043 2.183 1.00 0.00 H new ATOM 1250 N PRO A 88 9.954 -11.599 3.400 1.00 0.00 N ATOM 1251 CA PRO A 88 8.640 -11.416 4.024 1.00 0.00 C ATOM 1252 C PRO A 88 8.210 -9.953 4.053 1.00 0.00 C ATOM 1253 O PRO A 88 9.033 -9.041 4.137 1.00 0.00 O ATOM 1254 CB PRO A 88 8.847 -11.941 5.447 1.00 0.00 C ATOM 1255 CG PRO A 88 10.305 -11.778 5.703 1.00 0.00 C ATOM 1256 CD PRO A 88 10.984 -11.990 4.378 1.00 0.00 C ATOM 0 HA PRO A 88 7.853 -11.932 3.475 1.00 0.00 H new ATOM 0 HB2 PRO A 88 8.253 -11.378 6.167 1.00 0.00 H new ATOM 0 HB3 PRO A 88 8.545 -12.985 5.532 1.00 0.00 H new ATOM 0 HG2 PRO A 88 10.523 -10.786 6.099 1.00 0.00 H new ATOM 0 HG3 PRO A 88 10.655 -12.500 6.441 1.00 0.00 H new ATOM 0 HD2 PRO A 88 11.881 -11.378 4.284 1.00 0.00 H new ATOM 0 HD3 PRO A 88 11.291 -13.027 4.245 1.00 0.00 H new ATOM 1264 N PRO A 89 6.891 -9.722 3.981 1.00 0.00 N ATOM 1265 CA PRO A 89 6.322 -8.371 3.998 1.00 0.00 C ATOM 1266 C PRO A 89 6.466 -7.699 5.360 1.00 0.00 C ATOM 1267 O PRO A 89 6.459 -8.364 6.395 1.00 0.00 O ATOM 1268 CB PRO A 89 4.845 -8.604 3.670 1.00 0.00 C ATOM 1269 CG PRO A 89 4.576 -10.002 4.108 1.00 0.00 C ATOM 1270 CD PRO A 89 5.853 -10.761 3.879 1.00 0.00 C ATOM 0 HA PRO A 89 6.828 -7.706 3.298 1.00 0.00 H new ATOM 0 HB2 PRO A 89 4.206 -7.895 4.196 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.651 -8.479 2.605 1.00 0.00 H new ATOM 0 HG2 PRO A 89 4.287 -10.033 5.158 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.755 -10.438 3.538 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.994 -11.544 4.624 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.863 -11.245 2.902 1.00 0.00 H new ATOM 1278 N SER A 90 6.595 -6.376 5.351 1.00 0.00 N ATOM 1279 CA SER A 90 6.744 -5.614 6.585 1.00 0.00 C ATOM 1280 C SER A 90 5.415 -5.521 7.329 1.00 0.00 C ATOM 1281 O SER A 90 4.369 -5.895 6.801 1.00 0.00 O ATOM 1282 CB SER A 90 7.271 -4.210 6.282 1.00 0.00 C ATOM 1283 OG SER A 90 7.108 -3.352 7.398 1.00 0.00 O ATOM 0 H SER A 90 6.599 -5.810 4.503 1.00 0.00 H new ATOM 0 HA SER A 90 7.461 -6.134 7.220 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.326 -4.264 6.012 1.00 0.00 H new ATOM 0 HB3 SER A 90 6.743 -3.798 5.422 1.00 0.00 H new ATOM 0 HG SER A 90 7.982 -3.003 7.673 1.00 0.00 H new ATOM 1289 N GLU A 91 5.467 -5.019 8.559 1.00 0.00 N ATOM 1290 CA GLU A 91 4.268 -4.877 9.376 1.00 0.00 C ATOM 1291 C GLU A 91 3.136 -4.238 8.577 1.00 0.00 C ATOM 1292 O GLU A 91 3.051 -3.015 8.470 1.00 0.00 O ATOM 1293 CB GLU A 91 4.567 -4.035 10.619 1.00 0.00 C ATOM 1294 CG GLU A 91 5.298 -4.800 11.710 1.00 0.00 C ATOM 1295 CD GLU A 91 5.828 -3.892 12.803 1.00 0.00 C ATOM 1296 OE1 GLU A 91 5.069 -3.594 13.748 1.00 0.00 O ATOM 1297 OE2 GLU A 91 7.004 -3.480 12.712 1.00 0.00 O ATOM 0 H GLU A 91 6.326 -4.704 9.011 1.00 0.00 H new ATOM 0 HA GLU A 91 3.953 -5.873 9.687 1.00 0.00 H new ATOM 0 HB2 GLU A 91 5.166 -3.172 10.328 1.00 0.00 H new ATOM 0 HB3 GLU A 91 3.630 -3.651 11.022 1.00 0.00 H new ATOM 0 HG2 GLU A 91 4.623 -5.535 12.149 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.127 -5.353 11.268 1.00 0.00 H new ATOM 1304 N ALA A 92 2.270 -5.075 8.016 1.00 0.00 N ATOM 1305 CA ALA A 92 1.143 -4.593 7.227 1.00 0.00 C ATOM 1306 C ALA A 92 0.471 -3.401 7.901 1.00 0.00 C ATOM 1307 O ALA A 92 0.023 -3.492 9.044 1.00 0.00 O ATOM 1308 CB ALA A 92 0.137 -5.713 7.006 1.00 0.00 C ATOM 0 H ALA A 92 2.327 -6.090 8.093 1.00 0.00 H new ATOM 0 HA ALA A 92 1.522 -4.264 6.260 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -0.700 -5.339 6.415 1.00 0.00 H new ATOM 0 HB2 ALA A 92 0.618 -6.534 6.475 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -0.229 -6.069 7.969 1.00 0.00 H new ATOM 1314 N VAL A 93 0.405 -2.283 7.185 1.00 0.00 N ATOM 1315 CA VAL A 93 -0.212 -1.073 7.713 1.00 0.00 C ATOM 1316 C VAL A 93 -1.568 -0.819 7.065 1.00 0.00 C ATOM 1317 O VAL A 93 -1.705 -0.884 5.843 1.00 0.00 O ATOM 1318 CB VAL A 93 0.687 0.158 7.494 1.00 0.00 C ATOM 1319 CG1 VAL A 93 2.058 -0.065 8.115 1.00 0.00 C ATOM 1320 CG2 VAL A 93 0.810 0.471 6.011 1.00 0.00 C ATOM 0 H VAL A 93 0.771 -2.191 6.238 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.347 -1.229 8.783 1.00 0.00 H new ATOM 0 HB VAL A 93 0.226 1.015 7.986 1.00 0.00 H new ATOM 0 HG11 VAL A 93 2.680 0.815 7.950 1.00 0.00 H new ATOM 0 HG12 VAL A 93 1.949 -0.237 9.186 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.529 -0.933 7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 93 1.449 1.344 5.875 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.248 -0.383 5.494 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.178 0.677 5.599 1.00 0.00 H new ATOM 1330 N ARG A 94 -2.569 -0.530 7.890 1.00 0.00 N ATOM 1331 CA ARG A 94 -3.915 -0.267 7.397 1.00 0.00 C ATOM 1332 C ARG A 94 -4.189 1.233 7.338 1.00 0.00 C ATOM 1333 O ARG A 94 -4.086 1.933 8.344 1.00 0.00 O ATOM 1334 CB ARG A 94 -4.951 -0.951 8.291 1.00 0.00 C ATOM 1335 CG ARG A 94 -5.078 -2.445 8.043 1.00 0.00 C ATOM 1336 CD ARG A 94 -6.339 -3.010 8.677 1.00 0.00 C ATOM 1337 NE ARG A 94 -6.346 -4.470 8.676 1.00 0.00 N ATOM 1338 CZ ARG A 94 -5.734 -5.209 9.595 1.00 0.00 C ATOM 1339 NH1 ARG A 94 -5.070 -4.626 10.584 1.00 0.00 N ATOM 1340 NH2 ARG A 94 -5.785 -6.533 9.526 1.00 0.00 N ATOM 0 H ARG A 94 -2.473 -0.472 8.904 1.00 0.00 H new ATOM 0 HA ARG A 94 -3.991 -0.673 6.388 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -4.683 -0.786 9.335 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -5.922 -0.481 8.133 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -5.092 -2.637 6.970 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -4.205 -2.957 8.447 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -6.423 -2.648 9.702 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -7.212 -2.643 8.137 1.00 0.00 H new ATOM 0 HE ARG A 94 -6.848 -4.949 7.929 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -5.028 -3.608 10.640 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.601 -5.195 11.288 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -6.295 -6.985 8.767 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -5.315 -7.099 10.232 1.00 0.00 H new ATOM 1354 N ALA A 95 -4.538 1.719 6.151 1.00 0.00 N ATOM 1355 CA ALA A 95 -4.829 3.135 5.961 1.00 0.00 C ATOM 1356 C ALA A 95 -6.184 3.332 5.291 1.00 0.00 C ATOM 1357 O ALA A 95 -6.456 2.756 4.237 1.00 0.00 O ATOM 1358 CB ALA A 95 -3.731 3.793 5.139 1.00 0.00 C ATOM 0 H ALA A 95 -4.626 1.153 5.307 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.867 3.608 6.942 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -3.961 4.850 5.005 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.778 3.692 5.658 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -3.666 3.309 4.164 1.00 0.00 H new ATOM 1364 N ARG A 96 -7.032 4.148 5.909 1.00 0.00 N ATOM 1365 CA ARG A 96 -8.360 4.419 5.373 1.00 0.00 C ATOM 1366 C ARG A 96 -8.324 5.593 4.399 1.00 0.00 C ATOM 1367 O ARG A 96 -7.942 6.706 4.764 1.00 0.00 O ATOM 1368 CB ARG A 96 -9.341 4.715 6.508 1.00 0.00 C ATOM 1369 CG ARG A 96 -10.787 4.402 6.161 1.00 0.00 C ATOM 1370 CD ARG A 96 -11.699 4.571 7.366 1.00 0.00 C ATOM 1371 NE ARG A 96 -11.889 5.976 7.717 1.00 0.00 N ATOM 1372 CZ ARG A 96 -12.567 6.382 8.784 1.00 0.00 C ATOM 1373 NH1 ARG A 96 -13.117 5.494 9.601 1.00 0.00 N ATOM 1374 NH2 ARG A 96 -12.696 7.678 9.037 1.00 0.00 N ATOM 0 H ARG A 96 -6.823 4.633 6.782 1.00 0.00 H new ATOM 0 HA ARG A 96 -8.695 3.532 4.835 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -9.053 4.136 7.386 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -9.261 5.767 6.780 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -11.120 5.059 5.357 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -10.860 3.380 5.789 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.667 4.116 7.155 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -11.276 4.039 8.218 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.478 6.684 7.109 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.020 4.497 9.410 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.637 5.808 10.420 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -12.274 8.364 8.411 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -13.217 7.988 9.857 1.00 0.00 H new ATOM 1388 N THR A 97 -8.723 5.338 3.157 1.00 0.00 N ATOM 1389 CA THR A 97 -8.735 6.372 2.130 1.00 0.00 C ATOM 1390 C THR A 97 -9.794 7.428 2.425 1.00 0.00 C ATOM 1391 O THR A 97 -10.780 7.158 3.110 1.00 0.00 O ATOM 1392 CB THR A 97 -8.996 5.775 0.734 1.00 0.00 C ATOM 1393 OG1 THR A 97 -10.301 5.187 0.689 1.00 0.00 O ATOM 1394 CG2 THR A 97 -7.950 4.726 0.390 1.00 0.00 C ATOM 0 H THR A 97 -9.042 4.423 2.838 1.00 0.00 H new ATOM 0 HA THR A 97 -7.749 6.837 2.139 1.00 0.00 H new ATOM 0 HB THR A 97 -8.935 6.580 0.002 1.00 0.00 H new ATOM 0 HG1 THR A 97 -10.377 4.621 -0.107 1.00 0.00 H new ATOM 0 HG21 THR A 97 -8.155 4.319 -0.600 1.00 0.00 H new ATOM 0 HG22 THR A 97 -6.960 5.183 0.397 1.00 0.00 H new ATOM 0 HG23 THR A 97 -7.984 3.923 1.127 1.00 0.00 H new ATOM 1402 N GLY A 98 -9.585 8.632 1.902 1.00 0.00 N ATOM 1403 CA GLY A 98 -10.531 9.711 2.120 1.00 0.00 C ATOM 1404 C GLY A 98 -11.821 9.516 1.348 1.00 0.00 C ATOM 1405 O GLY A 98 -11.881 8.706 0.423 1.00 0.00 O ATOM 0 H GLY A 98 -8.777 8.880 1.331 1.00 0.00 H new ATOM 0 HA2 GLY A 98 -10.756 9.784 3.184 1.00 0.00 H new ATOM 0 HA3 GLY A 98 -10.074 10.656 1.825 1.00 0.00 H new