USER MOD reduce.3.24.130724 H: found=0, std=0, add=665, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 665 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 10 GLN : amide:sc= -3.65! C(o=-5.6!,f=-6!) USER MOD Set 1.2: A 84 HIS : no HD1:sc= -2 K(o=-5.6,f=-5.1) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 16 THR OG1 : rot 171:sc= -1.28 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0173 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -148:sc= -0.831 USER MOD Single : A 39 LYS NZ :NH3+ 174:sc= 0.0218 (180deg=0.0168) USER MOD Single : A 41 TYR OH : rot 30:sc= -2.14! USER MOD Single : A 43 LYS NZ :NH3+ -160:sc= -0.929 (180deg=-1.72) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -3.05! C(o=-3!,f=-2.7!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 GLN : amide:sc= -2.62 K(o=-2.6,f=-9.2!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -130:sc= 1.65 (180deg=-0.276) USER MOD Single : A 80 THR OG1 : rot 2:sc= 0.482 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 ASN : amide:sc= -0.428 X(o=-0.43,f=-0.14) USER MOD ----------------------------------------------------------------- ATOM 51 N PRO A 4 8.178 -10.026 -3.206 1.00 0.00 N ATOM 52 CA PRO A 4 7.722 -9.281 -4.387 1.00 0.00 C ATOM 53 C PRO A 4 8.469 -7.965 -4.568 1.00 0.00 C ATOM 54 O PRO A 4 9.232 -7.546 -3.697 1.00 0.00 O ATOM 55 CB PRO A 4 6.243 -9.004 -4.096 1.00 0.00 C ATOM 56 CG PRO A 4 6.100 -9.158 -2.620 1.00 0.00 C ATOM 57 CD PRO A 4 7.107 -10.194 -2.213 1.00 0.00 C ATOM 0 HA PRO A 4 7.894 -9.844 -5.304 1.00 0.00 H new ATOM 0 HB2 PRO A 4 5.960 -8.002 -4.417 1.00 0.00 H new ATOM 0 HB3 PRO A 4 5.599 -9.703 -4.629 1.00 0.00 H new ATOM 0 HG2 PRO A 4 6.284 -8.213 -2.109 1.00 0.00 H new ATOM 0 HG3 PRO A 4 5.090 -9.471 -2.356 1.00 0.00 H new ATOM 0 HD2 PRO A 4 7.469 -10.028 -1.198 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.685 -11.199 -2.241 1.00 0.00 H new ATOM 65 N ALA A 5 8.234 -7.312 -5.702 1.00 0.00 N ATOM 66 CA ALA A 5 8.872 -6.037 -5.994 1.00 0.00 C ATOM 67 C ALA A 5 8.097 -4.895 -5.350 1.00 0.00 C ATOM 68 O ALA A 5 8.596 -4.224 -4.447 1.00 0.00 O ATOM 69 CB ALA A 5 8.990 -5.816 -7.495 1.00 0.00 C ATOM 0 H ALA A 5 7.606 -7.647 -6.433 1.00 0.00 H new ATOM 0 HA ALA A 5 9.878 -6.059 -5.574 1.00 0.00 H new ATOM 0 HB1 ALA A 5 9.470 -4.856 -7.685 1.00 0.00 H new ATOM 0 HB2 ALA A 5 9.588 -6.614 -7.934 1.00 0.00 H new ATOM 0 HB3 ALA A 5 7.996 -5.819 -7.942 1.00 0.00 H new ATOM 75 N PHE A 6 6.865 -4.695 -5.813 1.00 0.00 N ATOM 76 CA PHE A 6 6.003 -3.653 -5.287 1.00 0.00 C ATOM 77 C PHE A 6 6.681 -2.284 -5.327 1.00 0.00 C ATOM 78 O PHE A 6 7.904 -2.178 -5.239 1.00 0.00 O ATOM 79 CB PHE A 6 5.567 -4.022 -3.870 1.00 0.00 C ATOM 80 CG PHE A 6 6.288 -3.284 -2.776 1.00 0.00 C ATOM 81 CD1 PHE A 6 6.046 -1.938 -2.544 1.00 0.00 C ATOM 82 CD2 PHE A 6 7.209 -3.942 -1.977 1.00 0.00 C ATOM 83 CE1 PHE A 6 6.709 -1.264 -1.536 1.00 0.00 C ATOM 84 CE2 PHE A 6 7.876 -3.273 -0.968 1.00 0.00 C ATOM 85 CZ PHE A 6 7.625 -1.932 -0.747 1.00 0.00 C ATOM 0 H PHE A 6 6.443 -5.249 -6.558 1.00 0.00 H new ATOM 0 HA PHE A 6 5.119 -3.578 -5.920 1.00 0.00 H new ATOM 0 HB2 PHE A 6 4.498 -3.833 -3.773 1.00 0.00 H new ATOM 0 HB3 PHE A 6 5.716 -5.092 -3.726 1.00 0.00 H new ATOM 0 HD1 PHE A 6 5.331 -1.411 -3.158 1.00 0.00 H new ATOM 0 HD2 PHE A 6 7.408 -4.990 -2.145 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.511 -0.216 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.592 -3.798 -0.353 1.00 0.00 H new ATOM 0 HZ PHE A 6 8.144 -1.407 0.041 1.00 0.00 H new ATOM 95 N ASP A 7 5.874 -1.240 -5.466 1.00 0.00 N ATOM 96 CA ASP A 7 6.387 0.121 -5.525 1.00 0.00 C ATOM 97 C ASP A 7 5.327 1.110 -5.062 1.00 0.00 C ATOM 98 O ASP A 7 4.133 0.809 -5.081 1.00 0.00 O ATOM 99 CB ASP A 7 6.836 0.461 -6.949 1.00 0.00 C ATOM 100 CG ASP A 7 8.168 1.183 -6.980 1.00 0.00 C ATOM 101 OD1 ASP A 7 8.553 1.764 -5.943 1.00 0.00 O ATOM 102 OD2 ASP A 7 8.827 1.168 -8.041 1.00 0.00 O ATOM 0 H ASP A 7 4.859 -1.311 -5.540 1.00 0.00 H new ATOM 0 HA ASP A 7 7.247 0.193 -4.859 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.910 -0.457 -7.532 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.078 1.082 -7.427 1.00 0.00 H new ATOM 107 N LEU A 8 5.766 2.290 -4.641 1.00 0.00 N ATOM 108 CA LEU A 8 4.846 3.313 -4.172 1.00 0.00 C ATOM 109 C LEU A 8 4.928 4.569 -5.032 1.00 0.00 C ATOM 110 O LEU A 8 6.015 5.038 -5.373 1.00 0.00 O ATOM 111 CB LEU A 8 5.129 3.666 -2.709 1.00 0.00 C ATOM 112 CG LEU A 8 5.792 2.560 -1.884 1.00 0.00 C ATOM 113 CD1 LEU A 8 6.956 3.119 -1.081 1.00 0.00 C ATOM 114 CD2 LEU A 8 4.775 1.901 -0.965 1.00 0.00 C ATOM 0 H LEU A 8 6.749 2.559 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 8 3.837 2.907 -4.251 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.768 4.548 -2.683 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.189 3.939 -2.230 1.00 0.00 H new ATOM 0 HG LEU A 8 6.179 1.804 -2.567 1.00 0.00 H new ATOM 0 HD11 LEU A 8 7.415 2.319 -0.501 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.695 3.545 -1.760 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.593 3.894 -0.406 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.263 1.117 -0.386 1.00 0.00 H new ATOM 0 HD22 LEU A 8 4.359 2.647 -0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 8 3.973 1.466 -1.562 1.00 0.00 H new ATOM 126 N SER A 9 3.765 5.115 -5.358 1.00 0.00 N ATOM 127 CA SER A 9 3.667 6.328 -6.158 1.00 0.00 C ATOM 128 C SER A 9 2.579 7.213 -5.573 1.00 0.00 C ATOM 129 O SER A 9 1.501 6.727 -5.236 1.00 0.00 O ATOM 130 CB SER A 9 3.354 5.991 -7.618 1.00 0.00 C ATOM 131 OG SER A 9 2.049 6.413 -7.974 1.00 0.00 O ATOM 0 H SER A 9 2.864 4.730 -5.076 1.00 0.00 H new ATOM 0 HA SER A 9 4.621 6.854 -6.136 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.084 6.471 -8.269 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.446 4.916 -7.773 1.00 0.00 H new ATOM 0 HG SER A 9 1.876 6.187 -8.912 1.00 0.00 H new ATOM 137 N GLN A 10 2.864 8.499 -5.411 1.00 0.00 N ATOM 138 CA GLN A 10 1.886 9.396 -4.813 1.00 0.00 C ATOM 139 C GLN A 10 1.663 10.661 -5.632 1.00 0.00 C ATOM 140 O GLN A 10 2.593 11.232 -6.203 1.00 0.00 O ATOM 141 CB GLN A 10 2.331 9.769 -3.397 1.00 0.00 C ATOM 142 CG GLN A 10 3.258 10.975 -3.338 1.00 0.00 C ATOM 143 CD GLN A 10 4.668 10.653 -3.792 1.00 0.00 C ATOM 144 OE1 GLN A 10 4.905 10.363 -4.965 1.00 0.00 O ATOM 145 NE2 GLN A 10 5.615 10.699 -2.860 1.00 0.00 N ATOM 0 H GLN A 10 3.745 8.937 -5.679 1.00 0.00 H new ATOM 0 HA GLN A 10 0.936 8.863 -4.786 1.00 0.00 H new ATOM 0 HB2 GLN A 10 1.448 9.972 -2.791 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.835 8.913 -2.948 1.00 0.00 H new ATOM 0 HG2 GLN A 10 2.852 11.771 -3.963 1.00 0.00 H new ATOM 0 HG3 GLN A 10 3.288 11.356 -2.317 1.00 0.00 H new ATOM 0 HE21 GLN A 10 5.374 10.944 -1.900 1.00 0.00 H new ATOM 0 HE22 GLN A 10 6.583 10.489 -3.105 1.00 0.00 H new ATOM 154 N ASP A 11 0.409 11.098 -5.651 1.00 0.00 N ATOM 155 CA ASP A 11 0.004 12.305 -6.355 1.00 0.00 C ATOM 156 C ASP A 11 -0.183 13.439 -5.352 1.00 0.00 C ATOM 157 O ASP A 11 -0.340 13.195 -4.155 1.00 0.00 O ATOM 158 CB ASP A 11 -1.298 12.066 -7.121 1.00 0.00 C ATOM 159 CG ASP A 11 -1.060 11.724 -8.580 1.00 0.00 C ATOM 160 OD1 ASP A 11 -0.431 10.680 -8.849 1.00 0.00 O ATOM 161 OD2 ASP A 11 -1.506 12.499 -9.452 1.00 0.00 O ATOM 0 H ASP A 11 -0.357 10.622 -5.176 1.00 0.00 H new ATOM 0 HA ASP A 11 0.781 12.576 -7.070 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -1.851 11.255 -6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -1.922 12.957 -7.057 1.00 0.00 H new ATOM 166 N PRO A 12 -0.165 14.693 -5.818 1.00 0.00 N ATOM 167 CA PRO A 12 -0.329 15.859 -4.944 1.00 0.00 C ATOM 168 C PRO A 12 -1.714 15.933 -4.299 1.00 0.00 C ATOM 169 O PRO A 12 -1.978 16.822 -3.489 1.00 0.00 O ATOM 170 CB PRO A 12 -0.115 17.048 -5.884 1.00 0.00 C ATOM 171 CG PRO A 12 -0.394 16.520 -7.250 1.00 0.00 C ATOM 172 CD PRO A 12 0.017 15.075 -7.228 1.00 0.00 C ATOM 0 HA PRO A 12 0.366 15.827 -4.105 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.784 17.872 -5.636 1.00 0.00 H new ATOM 0 HB3 PRO A 12 0.903 17.431 -5.810 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -1.450 16.621 -7.499 1.00 0.00 H new ATOM 0 HG3 PRO A 12 0.166 17.073 -8.004 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -0.601 14.471 -7.892 1.00 0.00 H new ATOM 0 HD3 PRO A 12 1.050 14.946 -7.550 1.00 0.00 H new ATOM 180 N ASP A 13 -2.589 14.991 -4.642 1.00 0.00 N ATOM 181 CA ASP A 13 -3.934 14.948 -4.076 1.00 0.00 C ATOM 182 C ASP A 13 -4.315 13.525 -3.683 1.00 0.00 C ATOM 183 O ASP A 13 -5.475 13.254 -3.378 1.00 0.00 O ATOM 184 CB ASP A 13 -4.954 15.482 -5.080 1.00 0.00 C ATOM 185 CG ASP A 13 -4.725 16.940 -5.422 1.00 0.00 C ATOM 186 OD1 ASP A 13 -3.567 17.309 -5.708 1.00 0.00 O ATOM 187 OD2 ASP A 13 -5.705 17.715 -5.405 1.00 0.00 O ATOM 0 H ASP A 13 -2.390 14.246 -5.310 1.00 0.00 H new ATOM 0 HA ASP A 13 -3.938 15.576 -3.185 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -4.907 14.887 -5.992 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -5.958 15.361 -4.672 1.00 0.00 H new ATOM 192 N PHE A 14 -3.326 12.631 -3.676 1.00 0.00 N ATOM 193 CA PHE A 14 -3.553 11.230 -3.315 1.00 0.00 C ATOM 194 C PHE A 14 -2.241 10.468 -3.164 1.00 0.00 C ATOM 195 O PHE A 14 -1.173 10.960 -3.522 1.00 0.00 O ATOM 196 CB PHE A 14 -4.391 10.516 -4.387 1.00 0.00 C ATOM 197 CG PHE A 14 -5.703 11.171 -4.699 1.00 0.00 C ATOM 198 CD1 PHE A 14 -5.790 12.135 -5.689 1.00 0.00 C ATOM 199 CD2 PHE A 14 -6.850 10.824 -4.003 1.00 0.00 C ATOM 200 CE1 PHE A 14 -6.995 12.743 -5.980 1.00 0.00 C ATOM 201 CE2 PHE A 14 -8.059 11.429 -4.288 1.00 0.00 C ATOM 202 CZ PHE A 14 -8.131 12.390 -5.279 1.00 0.00 C ATOM 0 H PHE A 14 -2.359 12.851 -3.916 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.083 11.239 -2.363 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.805 10.453 -5.304 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.580 9.494 -4.059 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -4.904 12.415 -6.240 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -6.798 10.072 -3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.049 13.494 -6.755 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -8.946 11.152 -3.738 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.075 12.864 -5.505 1.00 0.00 H new ATOM 212 N LEU A 15 -2.351 9.245 -2.658 1.00 0.00 N ATOM 213 CA LEU A 15 -1.200 8.367 -2.486 1.00 0.00 C ATOM 214 C LEU A 15 -1.558 6.980 -2.993 1.00 0.00 C ATOM 215 O LEU A 15 -2.454 6.334 -2.446 1.00 0.00 O ATOM 216 CB LEU A 15 -0.781 8.294 -1.014 1.00 0.00 C ATOM 217 CG LEU A 15 0.238 7.199 -0.682 1.00 0.00 C ATOM 218 CD1 LEU A 15 -0.448 5.846 -0.564 1.00 0.00 C ATOM 219 CD2 LEU A 15 1.338 7.148 -1.732 1.00 0.00 C ATOM 0 H LEU A 15 -3.236 8.836 -2.357 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.360 8.767 -3.055 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -0.363 9.258 -0.723 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.672 8.136 -0.406 1.00 0.00 H new ATOM 0 HG LEU A 15 0.693 7.440 0.279 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.293 5.082 -0.328 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.195 5.885 0.229 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.934 5.601 -1.508 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.050 6.363 -1.475 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.900 6.936 -2.708 1.00 0.00 H new ATOM 0 HD23 LEU A 15 1.853 8.108 -1.766 1.00 0.00 H new ATOM 231 N THR A 16 -0.886 6.515 -4.042 1.00 0.00 N ATOM 232 CA THR A 16 -1.180 5.206 -4.601 1.00 0.00 C ATOM 233 C THR A 16 -0.080 4.204 -4.276 1.00 0.00 C ATOM 234 O THR A 16 1.106 4.481 -4.454 1.00 0.00 O ATOM 235 CB THR A 16 -1.347 5.285 -6.131 1.00 0.00 C ATOM 236 OG1 THR A 16 -2.515 6.031 -6.492 1.00 0.00 O ATOM 237 CG2 THR A 16 -1.457 3.896 -6.741 1.00 0.00 C ATOM 0 H THR A 16 -0.140 7.023 -4.517 1.00 0.00 H new ATOM 0 HA THR A 16 -2.113 4.870 -4.150 1.00 0.00 H new ATOM 0 HB THR A 16 -0.461 5.789 -6.517 1.00 0.00 H new ATOM 0 HG1 THR A 16 -2.517 6.188 -7.459 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.574 3.981 -7.821 1.00 0.00 H new ATOM 0 HG22 THR A 16 -0.554 3.328 -6.518 1.00 0.00 H new ATOM 0 HG23 THR A 16 -2.322 3.382 -6.322 1.00 0.00 H new ATOM 245 N ILE A 17 -0.490 3.036 -3.806 1.00 0.00 N ATOM 246 CA ILE A 17 0.438 1.971 -3.456 1.00 0.00 C ATOM 247 C ILE A 17 0.370 0.855 -4.496 1.00 0.00 C ATOM 248 O ILE A 17 -0.641 0.703 -5.181 1.00 0.00 O ATOM 249 CB ILE A 17 0.134 1.412 -2.053 1.00 0.00 C ATOM 250 CG1 ILE A 17 -0.348 2.545 -1.138 1.00 0.00 C ATOM 251 CG2 ILE A 17 1.367 0.738 -1.470 1.00 0.00 C ATOM 252 CD1 ILE A 17 -0.645 2.105 0.278 1.00 0.00 C ATOM 0 H ILE A 17 -1.471 2.800 -3.657 1.00 0.00 H new ATOM 0 HA ILE A 17 1.446 2.386 -3.444 1.00 0.00 H new ATOM 0 HB ILE A 17 -0.654 0.664 -2.131 1.00 0.00 H new ATOM 0 HG12 ILE A 17 0.411 3.327 -1.113 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -1.247 2.987 -1.567 1.00 0.00 H new ATOM 0 HG21 ILE A 17 1.134 0.349 -0.479 1.00 0.00 H new ATOM 0 HG22 ILE A 17 1.674 -0.082 -2.119 1.00 0.00 H new ATOM 0 HG23 ILE A 17 2.177 1.464 -1.394 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -0.980 2.962 0.863 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -1.427 1.345 0.267 1.00 0.00 H new ATOM 0 HD13 ILE A 17 0.257 1.690 0.727 1.00 0.00 H new ATOM 264 N ALA A 18 1.446 0.085 -4.625 1.00 0.00 N ATOM 265 CA ALA A 18 1.479 -0.996 -5.604 1.00 0.00 C ATOM 266 C ALA A 18 2.109 -2.263 -5.033 1.00 0.00 C ATOM 267 O ALA A 18 3.282 -2.273 -4.660 1.00 0.00 O ATOM 268 CB ALA A 18 2.220 -0.562 -6.859 1.00 0.00 C ATOM 0 H ALA A 18 2.297 0.187 -4.072 1.00 0.00 H new ATOM 0 HA ALA A 18 0.446 -1.227 -5.863 1.00 0.00 H new ATOM 0 HB1 ALA A 18 2.233 -1.383 -7.576 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.716 0.298 -7.300 1.00 0.00 H new ATOM 0 HB3 ALA A 18 3.243 -0.289 -6.601 1.00 0.00 H new ATOM 274 N ILE A 19 1.320 -3.333 -4.987 1.00 0.00 N ATOM 275 CA ILE A 19 1.789 -4.618 -4.482 1.00 0.00 C ATOM 276 C ILE A 19 1.652 -5.692 -5.556 1.00 0.00 C ATOM 277 O ILE A 19 0.583 -5.856 -6.144 1.00 0.00 O ATOM 278 CB ILE A 19 1.004 -5.053 -3.229 1.00 0.00 C ATOM 279 CG1 ILE A 19 0.979 -3.924 -2.196 1.00 0.00 C ATOM 280 CG2 ILE A 19 1.612 -6.314 -2.633 1.00 0.00 C ATOM 281 CD1 ILE A 19 0.100 -4.219 -1.000 1.00 0.00 C ATOM 0 H ILE A 19 0.348 -3.334 -5.295 1.00 0.00 H new ATOM 0 HA ILE A 19 2.838 -4.498 -4.211 1.00 0.00 H new ATOM 0 HB ILE A 19 -0.023 -5.273 -3.521 1.00 0.00 H new ATOM 0 HG12 ILE A 19 1.996 -3.735 -1.852 1.00 0.00 H new ATOM 0 HG13 ILE A 19 0.630 -3.010 -2.677 1.00 0.00 H new ATOM 0 HG21 ILE A 19 1.046 -6.608 -1.749 1.00 0.00 H new ATOM 0 HG22 ILE A 19 1.578 -7.117 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 19 2.648 -6.121 -2.353 1.00 0.00 H new ATOM 0 HD11 ILE A 19 0.130 -3.376 -0.310 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -0.926 -4.379 -1.333 1.00 0.00 H new ATOM 0 HD13 ILE A 19 0.461 -5.115 -0.495 1.00 0.00 H new ATOM 293 N ARG A 20 2.737 -6.412 -5.822 1.00 0.00 N ATOM 294 CA ARG A 20 2.725 -7.454 -6.844 1.00 0.00 C ATOM 295 C ARG A 20 2.764 -8.849 -6.227 1.00 0.00 C ATOM 296 O ARG A 20 3.703 -9.199 -5.510 1.00 0.00 O ATOM 297 CB ARG A 20 3.910 -7.268 -7.793 1.00 0.00 C ATOM 298 CG ARG A 20 4.112 -8.429 -8.753 1.00 0.00 C ATOM 299 CD ARG A 20 5.239 -8.149 -9.735 1.00 0.00 C ATOM 300 NE ARG A 20 5.745 -9.373 -10.351 1.00 0.00 N ATOM 301 CZ ARG A 20 5.172 -9.960 -11.398 1.00 0.00 C ATOM 302 NH1 ARG A 20 4.087 -9.432 -11.946 1.00 0.00 N ATOM 303 NH2 ARG A 20 5.686 -11.076 -11.899 1.00 0.00 N ATOM 0 H ARG A 20 3.632 -6.295 -5.347 1.00 0.00 H new ATOM 0 HA ARG A 20 1.793 -7.363 -7.402 1.00 0.00 H new ATOM 0 HB2 ARG A 20 3.763 -6.354 -8.368 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.818 -7.132 -7.205 1.00 0.00 H new ATOM 0 HG2 ARG A 20 4.336 -9.334 -8.189 1.00 0.00 H new ATOM 0 HG3 ARG A 20 3.188 -8.615 -9.301 1.00 0.00 H new ATOM 0 HD2 ARG A 20 4.883 -7.473 -10.512 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.053 -7.640 -9.218 1.00 0.00 H new ATOM 0 HE ARG A 20 6.583 -9.801 -9.957 1.00 0.00 H new ATOM 0 HH11 ARG A 20 3.689 -8.573 -11.565 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.650 -9.884 -12.749 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.522 -11.485 -11.481 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.245 -11.525 -12.702 1.00 0.00 H new ATOM 317 N VAL A 21 1.734 -9.641 -6.514 1.00 0.00 N ATOM 318 CA VAL A 21 1.641 -11.001 -5.992 1.00 0.00 C ATOM 319 C VAL A 21 0.858 -11.910 -6.936 1.00 0.00 C ATOM 320 O VAL A 21 -0.131 -11.494 -7.540 1.00 0.00 O ATOM 321 CB VAL A 21 0.972 -11.025 -4.605 1.00 0.00 C ATOM 322 CG1 VAL A 21 1.643 -10.030 -3.671 1.00 0.00 C ATOM 323 CG2 VAL A 21 -0.517 -10.739 -4.724 1.00 0.00 C ATOM 0 H VAL A 21 0.951 -9.364 -7.106 1.00 0.00 H new ATOM 0 HA VAL A 21 2.662 -11.372 -5.905 1.00 0.00 H new ATOM 0 HB VAL A 21 1.092 -12.022 -4.181 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.157 -10.061 -2.696 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.696 -10.288 -3.560 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.558 -9.026 -4.087 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.972 -10.760 -3.734 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.664 -9.755 -5.170 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.984 -11.496 -5.354 1.00 0.00 H new ATOM 333 N SER A 22 1.310 -13.155 -7.055 1.00 0.00 N ATOM 334 CA SER A 22 0.663 -14.131 -7.919 1.00 0.00 C ATOM 335 C SER A 22 0.166 -15.325 -7.106 1.00 0.00 C ATOM 336 O SER A 22 -0.876 -15.906 -7.405 1.00 0.00 O ATOM 337 CB SER A 22 1.642 -14.602 -8.994 1.00 0.00 C ATOM 338 OG SER A 22 1.591 -13.763 -10.135 1.00 0.00 O ATOM 0 H SER A 22 2.127 -13.511 -6.559 1.00 0.00 H new ATOM 0 HA SER A 22 -0.195 -13.658 -8.396 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.654 -14.610 -8.590 1.00 0.00 H new ATOM 0 HB3 SER A 22 1.406 -15.626 -9.282 1.00 0.00 H new ATOM 0 HG SER A 22 2.228 -14.085 -10.807 1.00 0.00 H new ATOM 344 N TYR A 23 0.929 -15.678 -6.078 1.00 0.00 N ATOM 345 CA TYR A 23 0.593 -16.798 -5.204 1.00 0.00 C ATOM 346 C TYR A 23 -0.678 -16.525 -4.404 1.00 0.00 C ATOM 347 O TYR A 23 -1.196 -17.419 -3.737 1.00 0.00 O ATOM 348 CB TYR A 23 1.755 -17.091 -4.256 1.00 0.00 C ATOM 349 CG TYR A 23 2.849 -17.916 -4.890 1.00 0.00 C ATOM 350 CD1 TYR A 23 3.525 -17.458 -6.013 1.00 0.00 C ATOM 351 CD2 TYR A 23 3.203 -19.154 -4.370 1.00 0.00 C ATOM 352 CE1 TYR A 23 4.523 -18.209 -6.601 1.00 0.00 C ATOM 353 CE2 TYR A 23 4.201 -19.913 -4.951 1.00 0.00 C ATOM 354 CZ TYR A 23 4.858 -19.436 -6.068 1.00 0.00 C ATOM 355 OH TYR A 23 5.852 -20.189 -6.651 1.00 0.00 O ATOM 0 H TYR A 23 1.794 -15.199 -5.827 1.00 0.00 H new ATOM 0 HA TYR A 23 0.411 -17.669 -5.834 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.176 -16.148 -3.907 1.00 0.00 H new ATOM 0 HB3 TYR A 23 1.376 -17.615 -3.379 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.266 -16.498 -6.434 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.690 -19.530 -3.497 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.039 -17.837 -7.474 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.466 -20.873 -4.534 1.00 0.00 H new ATOM 0 HH TYR A 23 5.964 -21.025 -6.152 1.00 0.00 H new ATOM 365 N ALA A 24 -1.159 -15.282 -4.475 1.00 0.00 N ATOM 366 CA ALA A 24 -2.364 -14.860 -3.759 1.00 0.00 C ATOM 367 C ALA A 24 -3.280 -16.038 -3.438 1.00 0.00 C ATOM 368 O ALA A 24 -4.213 -16.340 -4.181 1.00 0.00 O ATOM 369 CB ALA A 24 -3.124 -13.804 -4.548 1.00 0.00 C ATOM 0 H ALA A 24 -0.726 -14.543 -5.028 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.036 -14.426 -2.814 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.015 -13.507 -3.995 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.485 -12.934 -4.701 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.417 -14.213 -5.515 1.00 0.00 H new ATOM 375 N ARG A 25 -2.995 -16.695 -2.320 1.00 0.00 N ATOM 376 CA ARG A 25 -3.775 -17.841 -1.877 1.00 0.00 C ATOM 377 C ARG A 25 -5.159 -17.406 -1.407 1.00 0.00 C ATOM 378 O ARG A 25 -6.162 -17.660 -2.072 1.00 0.00 O ATOM 379 CB ARG A 25 -3.045 -18.568 -0.748 1.00 0.00 C ATOM 380 CG ARG A 25 -3.060 -20.079 -0.890 1.00 0.00 C ATOM 381 CD ARG A 25 -3.828 -20.737 0.245 1.00 0.00 C ATOM 382 NE ARG A 25 -3.160 -21.939 0.739 1.00 0.00 N ATOM 383 CZ ARG A 25 -3.429 -23.169 0.309 1.00 0.00 C ATOM 384 NH1 ARG A 25 -4.341 -23.366 -0.636 1.00 0.00 N ATOM 385 NH2 ARG A 25 -2.782 -24.205 0.823 1.00 0.00 N ATOM 0 H ARG A 25 -2.223 -16.450 -1.700 1.00 0.00 H new ATOM 0 HA ARG A 25 -3.896 -18.520 -2.721 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -2.011 -18.225 -0.715 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -3.502 -18.296 0.203 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -3.513 -20.352 -1.843 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -2.037 -20.454 -0.904 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -3.944 -20.026 1.063 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -4.830 -20.995 -0.098 1.00 0.00 H new ATOM 0 HE ARG A 25 -2.444 -21.828 1.457 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -4.840 -22.572 -1.037 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -4.542 -24.312 -0.961 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -2.079 -24.059 1.547 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -2.987 -25.149 0.494 1.00 0.00 H new ATOM 399 N VAL A 26 -5.201 -16.749 -0.252 1.00 0.00 N ATOM 400 CA VAL A 26 -6.457 -16.276 0.315 1.00 0.00 C ATOM 401 C VAL A 26 -7.342 -15.636 -0.749 1.00 0.00 C ATOM 402 O VAL A 26 -6.871 -14.855 -1.576 1.00 0.00 O ATOM 403 CB VAL A 26 -6.208 -15.255 1.438 1.00 0.00 C ATOM 404 CG1 VAL A 26 -5.248 -15.825 2.472 1.00 0.00 C ATOM 405 CG2 VAL A 26 -5.672 -13.953 0.862 1.00 0.00 C ATOM 0 H VAL A 26 -4.378 -16.532 0.310 1.00 0.00 H new ATOM 0 HA VAL A 26 -6.967 -17.148 0.725 1.00 0.00 H new ATOM 0 HB VAL A 26 -7.156 -15.044 1.933 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.083 -15.090 3.259 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.674 -16.730 2.904 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -4.298 -16.064 1.994 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.501 -13.241 1.669 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.733 -14.144 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -6.397 -13.539 0.161 1.00 0.00 H new ATOM 415 N SER A 27 -8.624 -15.978 -0.723 1.00 0.00 N ATOM 416 CA SER A 27 -9.582 -15.445 -1.684 1.00 0.00 C ATOM 417 C SER A 27 -9.629 -13.921 -1.635 1.00 0.00 C ATOM 418 O SER A 27 -9.726 -13.263 -2.672 1.00 0.00 O ATOM 419 CB SER A 27 -10.975 -16.015 -1.412 1.00 0.00 C ATOM 420 OG SER A 27 -11.492 -15.534 -0.184 1.00 0.00 O ATOM 0 H SER A 27 -9.026 -16.625 -0.044 1.00 0.00 H new ATOM 0 HA SER A 27 -9.256 -15.744 -2.680 1.00 0.00 H new ATOM 0 HB2 SER A 27 -11.648 -15.743 -2.225 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.928 -17.104 -1.389 1.00 0.00 H new ATOM 0 HG SER A 27 -12.384 -15.912 -0.034 1.00 0.00 H new ATOM 426 N GLU A 28 -9.570 -13.363 -0.430 1.00 0.00 N ATOM 427 CA GLU A 28 -9.614 -11.914 -0.259 1.00 0.00 C ATOM 428 C GLU A 28 -8.477 -11.423 0.633 1.00 0.00 C ATOM 429 O GLU A 28 -8.041 -12.123 1.547 1.00 0.00 O ATOM 430 CB GLU A 28 -10.959 -11.491 0.334 1.00 0.00 C ATOM 431 CG GLU A 28 -11.130 -9.985 0.443 1.00 0.00 C ATOM 432 CD GLU A 28 -11.992 -9.412 -0.666 1.00 0.00 C ATOM 433 OE1 GLU A 28 -11.549 -9.436 -1.834 1.00 0.00 O ATOM 434 OE2 GLU A 28 -13.108 -8.939 -0.367 1.00 0.00 O ATOM 0 H GLU A 28 -9.492 -13.890 0.440 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.494 -11.460 -1.243 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -11.762 -11.896 -0.283 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.065 -11.933 1.325 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.577 -9.743 1.407 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -10.150 -9.509 0.418 1.00 0.00 H new ATOM 441 N PHE A 29 -8.002 -10.212 0.356 1.00 0.00 N ATOM 442 CA PHE A 29 -6.915 -9.617 1.127 1.00 0.00 C ATOM 443 C PHE A 29 -7.448 -8.561 2.092 1.00 0.00 C ATOM 444 O PHE A 29 -8.602 -8.146 1.993 1.00 0.00 O ATOM 445 CB PHE A 29 -5.885 -8.995 0.180 1.00 0.00 C ATOM 446 CG PHE A 29 -5.932 -9.570 -1.207 1.00 0.00 C ATOM 447 CD1 PHE A 29 -6.074 -10.936 -1.398 1.00 0.00 C ATOM 448 CD2 PHE A 29 -5.835 -8.748 -2.317 1.00 0.00 C ATOM 449 CE1 PHE A 29 -6.119 -11.470 -2.671 1.00 0.00 C ATOM 450 CE2 PHE A 29 -5.880 -9.277 -3.594 1.00 0.00 C ATOM 451 CZ PHE A 29 -6.022 -10.639 -3.771 1.00 0.00 C ATOM 0 H PHE A 29 -8.354 -9.622 -0.398 1.00 0.00 H new ATOM 0 HA PHE A 29 -6.436 -10.402 1.712 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -6.054 -7.919 0.126 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.887 -9.141 0.593 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -6.150 -11.590 -0.542 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -5.723 -7.682 -2.184 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -6.230 -12.536 -2.807 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.804 -8.625 -4.452 1.00 0.00 H new ATOM 0 HZ PHE A 29 -6.057 -11.054 -4.767 1.00 0.00 H new ATOM 461 N ASP A 30 -6.605 -8.136 3.030 1.00 0.00 N ATOM 462 CA ASP A 30 -7.004 -7.136 4.016 1.00 0.00 C ATOM 463 C ASP A 30 -6.170 -5.863 3.894 1.00 0.00 C ATOM 464 O ASP A 30 -4.946 -5.896 4.025 1.00 0.00 O ATOM 465 CB ASP A 30 -6.873 -7.703 5.432 1.00 0.00 C ATOM 466 CG ASP A 30 -7.706 -8.951 5.636 1.00 0.00 C ATOM 467 OD1 ASP A 30 -8.930 -8.896 5.393 1.00 0.00 O ATOM 468 OD2 ASP A 30 -7.135 -9.986 6.043 1.00 0.00 O ATOM 0 H ASP A 30 -5.645 -8.467 3.128 1.00 0.00 H new ATOM 0 HA ASP A 30 -8.046 -6.881 3.821 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.826 -7.932 5.633 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.178 -6.945 6.153 1.00 0.00 H new ATOM 473 N VAL A 31 -6.844 -4.742 3.653 1.00 0.00 N ATOM 474 CA VAL A 31 -6.169 -3.455 3.527 1.00 0.00 C ATOM 475 C VAL A 31 -6.719 -2.452 4.532 1.00 0.00 C ATOM 476 O VAL A 31 -7.906 -2.124 4.509 1.00 0.00 O ATOM 477 CB VAL A 31 -6.318 -2.868 2.111 1.00 0.00 C ATOM 478 CG1 VAL A 31 -5.381 -1.684 1.927 1.00 0.00 C ATOM 479 CG2 VAL A 31 -6.056 -3.933 1.059 1.00 0.00 C ATOM 0 H VAL A 31 -7.857 -4.699 3.541 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.113 -3.636 3.726 1.00 0.00 H new ATOM 0 HB VAL A 31 -7.342 -2.517 1.988 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.498 -1.280 0.921 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.622 -0.912 2.658 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.351 -2.010 2.069 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -6.166 -3.498 0.066 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -5.043 -4.319 1.176 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -6.770 -4.747 1.180 1.00 0.00 H new ATOM 489 N TYR A 32 -5.852 -1.967 5.411 1.00 0.00 N ATOM 490 CA TYR A 32 -6.254 -0.999 6.423 1.00 0.00 C ATOM 491 C TYR A 32 -5.361 0.236 6.379 1.00 0.00 C ATOM 492 O TYR A 32 -4.148 0.146 6.566 1.00 0.00 O ATOM 493 CB TYR A 32 -6.206 -1.638 7.812 1.00 0.00 C ATOM 494 CG TYR A 32 -6.966 -2.943 7.895 1.00 0.00 C ATOM 495 CD1 TYR A 32 -8.349 -2.955 8.033 1.00 0.00 C ATOM 496 CD2 TYR A 32 -6.302 -4.162 7.827 1.00 0.00 C ATOM 497 CE1 TYR A 32 -9.048 -4.145 8.101 1.00 0.00 C ATOM 498 CE2 TYR A 32 -6.997 -5.357 7.896 1.00 0.00 C ATOM 499 CZ TYR A 32 -8.368 -5.342 8.032 1.00 0.00 C ATOM 500 OH TYR A 32 -9.061 -6.530 8.096 1.00 0.00 O ATOM 0 H TYR A 32 -4.866 -2.228 5.444 1.00 0.00 H new ATOM 0 HA TYR A 32 -7.277 -0.687 6.212 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -5.166 -1.813 8.089 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -6.617 -0.939 8.541 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -8.886 -2.019 8.088 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -5.228 -4.177 7.719 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -10.123 -4.137 8.208 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -6.467 -6.297 7.843 1.00 0.00 H new ATOM 0 HH TYR A 32 -8.433 -7.279 8.032 1.00 0.00 H new ATOM 510 N PHE A 33 -5.972 1.388 6.129 1.00 0.00 N ATOM 511 CA PHE A 33 -5.238 2.645 6.059 1.00 0.00 C ATOM 512 C PHE A 33 -5.769 3.634 7.093 1.00 0.00 C ATOM 513 O PHE A 33 -6.910 4.089 7.000 1.00 0.00 O ATOM 514 CB PHE A 33 -5.335 3.238 4.652 1.00 0.00 C ATOM 515 CG PHE A 33 -6.674 3.842 4.343 1.00 0.00 C ATOM 516 CD1 PHE A 33 -7.693 3.063 3.822 1.00 0.00 C ATOM 517 CD2 PHE A 33 -6.912 5.188 4.571 1.00 0.00 C ATOM 518 CE1 PHE A 33 -8.927 3.613 3.533 1.00 0.00 C ATOM 519 CE2 PHE A 33 -8.143 5.744 4.285 1.00 0.00 C ATOM 520 CZ PHE A 33 -9.153 4.956 3.764 1.00 0.00 C ATOM 0 H PHE A 33 -6.976 1.477 5.971 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.190 2.447 6.281 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.566 4.002 4.535 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.122 2.457 3.922 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -7.521 2.013 3.639 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -6.127 5.808 4.977 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -9.714 2.994 3.127 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.317 6.794 4.468 1.00 0.00 H new ATOM 0 HZ PHE A 33 -10.116 5.390 3.538 1.00 0.00 H new ATOM 530 N GLU A 34 -4.935 3.965 8.077 1.00 0.00 N ATOM 531 CA GLU A 34 -5.328 4.906 9.121 1.00 0.00 C ATOM 532 C GLU A 34 -4.179 5.837 9.500 1.00 0.00 C ATOM 533 O GLU A 34 -3.143 5.392 9.994 1.00 0.00 O ATOM 534 CB GLU A 34 -5.825 4.156 10.358 1.00 0.00 C ATOM 535 CG GLU A 34 -7.267 4.476 10.717 1.00 0.00 C ATOM 536 CD GLU A 34 -8.190 3.284 10.553 1.00 0.00 C ATOM 537 OE1 GLU A 34 -7.862 2.202 11.084 1.00 0.00 O ATOM 538 OE2 GLU A 34 -9.241 3.432 9.893 1.00 0.00 O ATOM 0 H GLU A 34 -3.988 3.597 8.172 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.139 5.517 8.724 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -5.730 3.084 10.187 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -5.184 4.401 11.205 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -7.311 4.825 11.749 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -7.621 5.293 10.088 1.00 0.00 H new ATOM 545 N GLY A 35 -4.375 7.132 9.277 1.00 0.00 N ATOM 546 CA GLY A 35 -3.354 8.108 9.611 1.00 0.00 C ATOM 547 C GLY A 35 -1.958 7.666 9.214 1.00 0.00 C ATOM 548 O GLY A 35 -1.106 7.436 10.072 1.00 0.00 O ATOM 0 H GLY A 35 -5.224 7.524 8.870 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.585 9.051 9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.378 8.297 10.684 1.00 0.00 H new ATOM 552 N SER A 36 -1.723 7.560 7.912 1.00 0.00 N ATOM 553 CA SER A 36 -0.418 7.155 7.398 1.00 0.00 C ATOM 554 C SER A 36 -0.089 5.717 7.786 1.00 0.00 C ATOM 555 O SER A 36 1.037 5.258 7.596 1.00 0.00 O ATOM 556 CB SER A 36 0.673 8.092 7.919 1.00 0.00 C ATOM 557 OG SER A 36 0.113 9.253 8.508 1.00 0.00 O ATOM 0 H SER A 36 -2.419 7.749 7.191 1.00 0.00 H new ATOM 0 HA SER A 36 -0.458 7.216 6.310 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.286 7.568 8.653 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.332 8.379 7.099 1.00 0.00 H new ATOM 0 HG SER A 36 0.715 10.014 8.368 1.00 0.00 H new ATOM 563 N ASP A 37 -1.073 5.008 8.325 1.00 0.00 N ATOM 564 CA ASP A 37 -0.873 3.621 8.731 1.00 0.00 C ATOM 565 C ASP A 37 -1.485 2.671 7.710 1.00 0.00 C ATOM 566 O ASP A 37 -2.701 2.496 7.667 1.00 0.00 O ATOM 567 CB ASP A 37 -1.492 3.377 10.108 1.00 0.00 C ATOM 568 CG ASP A 37 -0.937 2.137 10.782 1.00 0.00 C ATOM 569 OD1 ASP A 37 -1.353 1.021 10.407 1.00 0.00 O ATOM 570 OD2 ASP A 37 -0.086 2.283 11.685 1.00 0.00 O ATOM 0 H ASP A 37 -2.013 5.367 8.491 1.00 0.00 H new ATOM 0 HA ASP A 37 0.199 3.431 8.786 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.311 4.244 10.743 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -2.573 3.278 10.005 1.00 0.00 H new ATOM 575 N PHE A 38 -0.635 2.058 6.890 1.00 0.00 N ATOM 576 CA PHE A 38 -1.098 1.126 5.867 1.00 0.00 C ATOM 577 C PHE A 38 -0.700 -0.307 6.201 1.00 0.00 C ATOM 578 O PHE A 38 0.482 -0.617 6.338 1.00 0.00 O ATOM 579 CB PHE A 38 -0.537 1.506 4.496 1.00 0.00 C ATOM 580 CG PHE A 38 -0.881 0.515 3.418 1.00 0.00 C ATOM 581 CD1 PHE A 38 -0.167 -0.668 3.291 1.00 0.00 C ATOM 582 CD2 PHE A 38 -1.920 0.765 2.536 1.00 0.00 C ATOM 583 CE1 PHE A 38 -0.486 -1.581 2.303 1.00 0.00 C ATOM 584 CE2 PHE A 38 -2.241 -0.144 1.547 1.00 0.00 C ATOM 585 CZ PHE A 38 -1.523 -1.318 1.429 1.00 0.00 C ATOM 0 H PHE A 38 0.376 2.190 6.914 1.00 0.00 H new ATOM 0 HA PHE A 38 -2.186 1.187 5.840 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -0.919 2.487 4.214 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.547 1.594 4.566 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.646 -0.878 3.971 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.485 1.681 2.623 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.075 -2.499 2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.053 0.063 0.866 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.772 -2.029 0.655 1.00 0.00 H new ATOM 595 N LYS A 39 -1.697 -1.176 6.322 1.00 0.00 N ATOM 596 CA LYS A 39 -1.455 -2.578 6.633 1.00 0.00 C ATOM 597 C LYS A 39 -2.095 -3.480 5.583 1.00 0.00 C ATOM 598 O LYS A 39 -3.284 -3.364 5.290 1.00 0.00 O ATOM 599 CB LYS A 39 -1.995 -2.913 8.023 1.00 0.00 C ATOM 600 CG LYS A 39 -1.595 -1.898 9.082 1.00 0.00 C ATOM 601 CD LYS A 39 -2.397 -2.076 10.360 1.00 0.00 C ATOM 602 CE LYS A 39 -1.507 -1.997 11.589 1.00 0.00 C ATOM 603 NZ LYS A 39 -2.082 -1.105 12.633 1.00 0.00 N ATOM 0 H LYS A 39 -2.681 -0.933 6.209 1.00 0.00 H new ATOM 0 HA LYS A 39 -0.379 -2.752 6.625 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -3.082 -2.973 7.979 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -1.634 -3.898 8.318 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -0.532 -2.000 9.302 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -1.745 -0.890 8.695 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -3.168 -1.308 10.417 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -2.907 -3.039 10.340 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -1.368 -2.996 12.002 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -0.522 -1.631 11.301 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -1.499 -1.156 13.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -2.097 -0.126 12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -3.052 -1.409 12.853 1.00 0.00 H new ATOM 617 N PHE A 40 -1.292 -4.370 5.015 1.00 0.00 N ATOM 618 CA PHE A 40 -1.766 -5.290 3.988 1.00 0.00 C ATOM 619 C PHE A 40 -1.537 -6.738 4.407 1.00 0.00 C ATOM 620 O PHE A 40 -0.397 -7.189 4.506 1.00 0.00 O ATOM 621 CB PHE A 40 -1.048 -5.011 2.665 1.00 0.00 C ATOM 622 CG PHE A 40 -1.461 -5.924 1.546 1.00 0.00 C ATOM 623 CD1 PHE A 40 -2.768 -5.933 1.088 1.00 0.00 C ATOM 624 CD2 PHE A 40 -0.539 -6.769 0.948 1.00 0.00 C ATOM 625 CE1 PHE A 40 -3.150 -6.769 0.055 1.00 0.00 C ATOM 626 CE2 PHE A 40 -0.915 -7.608 -0.084 1.00 0.00 C ATOM 627 CZ PHE A 40 -2.222 -7.607 -0.532 1.00 0.00 C ATOM 0 H PHE A 40 -0.305 -4.475 5.249 1.00 0.00 H new ATOM 0 HA PHE A 40 -2.837 -5.135 3.858 1.00 0.00 H new ATOM 0 HB2 PHE A 40 -1.239 -3.980 2.369 1.00 0.00 H new ATOM 0 HB3 PHE A 40 0.027 -5.104 2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.497 -5.279 1.543 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.485 -6.772 1.292 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.173 -6.767 -0.292 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.188 -8.264 -0.540 1.00 0.00 H new ATOM 0 HZ PHE A 40 -2.518 -8.260 -1.340 1.00 0.00 H new ATOM 637 N TYR A 41 -2.624 -7.461 4.650 1.00 0.00 N ATOM 638 CA TYR A 41 -2.526 -8.857 5.057 1.00 0.00 C ATOM 639 C TYR A 41 -3.114 -9.782 4.000 1.00 0.00 C ATOM 640 O TYR A 41 -4.331 -9.946 3.906 1.00 0.00 O ATOM 641 CB TYR A 41 -3.238 -9.085 6.392 1.00 0.00 C ATOM 642 CG TYR A 41 -2.985 -8.005 7.417 1.00 0.00 C ATOM 643 CD1 TYR A 41 -1.756 -7.899 8.057 1.00 0.00 C ATOM 644 CD2 TYR A 41 -3.979 -7.098 7.752 1.00 0.00 C ATOM 645 CE1 TYR A 41 -1.526 -6.916 9.001 1.00 0.00 C ATOM 646 CE2 TYR A 41 -3.758 -6.111 8.694 1.00 0.00 C ATOM 647 CZ TYR A 41 -2.531 -6.025 9.316 1.00 0.00 C ATOM 648 OH TYR A 41 -2.307 -5.047 10.256 1.00 0.00 O ATOM 0 H TYR A 41 -3.577 -7.106 4.573 1.00 0.00 H new ATOM 0 HA TYR A 41 -1.467 -9.089 5.173 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.311 -9.156 6.212 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -2.919 -10.043 6.803 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -0.968 -8.596 7.813 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -4.942 -7.164 7.269 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -0.565 -6.846 9.489 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -4.542 -5.411 8.941 1.00 0.00 H new ATOM 0 HH TYR A 41 -1.359 -4.800 10.251 1.00 0.00 H new ATOM 658 N ALA A 42 -2.237 -10.402 3.223 1.00 0.00 N ATOM 659 CA ALA A 42 -2.648 -11.335 2.187 1.00 0.00 C ATOM 660 C ALA A 42 -1.862 -12.623 2.343 1.00 0.00 C ATOM 661 O ALA A 42 -0.635 -12.615 2.260 1.00 0.00 O ATOM 662 CB ALA A 42 -2.445 -10.746 0.799 1.00 0.00 C ATOM 0 H ALA A 42 -1.228 -10.273 3.293 1.00 0.00 H new ATOM 0 HA ALA A 42 -3.713 -11.540 2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -2.762 -11.469 0.047 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -3.037 -9.836 0.700 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -1.391 -10.511 0.654 1.00 0.00 H new ATOM 668 N LYS A 43 -2.565 -13.724 2.591 1.00 0.00 N ATOM 669 CA LYS A 43 -1.909 -15.007 2.782 1.00 0.00 C ATOM 670 C LYS A 43 -0.643 -14.809 3.631 1.00 0.00 C ATOM 671 O LYS A 43 -0.483 -13.758 4.251 1.00 0.00 O ATOM 672 CB LYS A 43 -1.622 -15.652 1.417 1.00 0.00 C ATOM 673 CG LYS A 43 -0.420 -15.079 0.682 1.00 0.00 C ATOM 674 CD LYS A 43 -0.826 -14.517 -0.671 1.00 0.00 C ATOM 675 CE LYS A 43 -0.788 -12.998 -0.687 1.00 0.00 C ATOM 676 NZ LYS A 43 -0.431 -12.468 -2.032 1.00 0.00 N ATOM 0 H LYS A 43 -3.582 -13.751 2.664 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.558 -15.694 3.325 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -1.466 -16.721 1.561 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.503 -15.541 0.786 1.00 0.00 H new ATOM 0 HG2 LYS A 43 0.038 -14.294 1.283 1.00 0.00 H new ATOM 0 HG3 LYS A 43 0.332 -15.856 0.546 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.159 -14.905 -1.441 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.831 -14.858 -0.919 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.761 -12.607 -0.389 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -0.064 -12.645 0.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.086 -11.491 -1.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 0.314 -13.060 -2.452 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.271 -12.483 -2.645 1.00 0.00 H new ATOM 690 N PRO A 44 0.269 -15.796 3.707 1.00 0.00 N ATOM 691 CA PRO A 44 1.484 -15.662 4.519 1.00 0.00 C ATOM 692 C PRO A 44 2.169 -14.307 4.343 1.00 0.00 C ATOM 693 O PRO A 44 2.945 -13.879 5.197 1.00 0.00 O ATOM 694 CB PRO A 44 2.370 -16.790 4.002 1.00 0.00 C ATOM 695 CG PRO A 44 1.410 -17.841 3.566 1.00 0.00 C ATOM 696 CD PRO A 44 0.199 -17.112 3.043 1.00 0.00 C ATOM 0 HA PRO A 44 1.271 -15.721 5.586 1.00 0.00 H new ATOM 0 HB2 PRO A 44 2.997 -16.456 3.175 1.00 0.00 H new ATOM 0 HB3 PRO A 44 3.038 -17.159 4.780 1.00 0.00 H new ATOM 0 HG2 PRO A 44 1.848 -18.472 2.793 1.00 0.00 H new ATOM 0 HG3 PRO A 44 1.143 -18.494 4.397 1.00 0.00 H new ATOM 0 HD2 PRO A 44 0.228 -17.015 1.958 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -0.723 -17.637 3.292 1.00 0.00 H new ATOM 704 N TYR A 45 1.883 -13.641 3.230 1.00 0.00 N ATOM 705 CA TYR A 45 2.474 -12.340 2.938 1.00 0.00 C ATOM 706 C TYR A 45 1.818 -11.226 3.750 1.00 0.00 C ATOM 707 O TYR A 45 0.608 -11.013 3.669 1.00 0.00 O ATOM 708 CB TYR A 45 2.337 -12.023 1.450 1.00 0.00 C ATOM 709 CG TYR A 45 3.121 -12.955 0.551 1.00 0.00 C ATOM 710 CD1 TYR A 45 4.441 -13.280 0.835 1.00 0.00 C ATOM 711 CD2 TYR A 45 2.538 -13.512 -0.581 1.00 0.00 C ATOM 712 CE1 TYR A 45 5.159 -14.133 0.017 1.00 0.00 C ATOM 713 CE2 TYR A 45 3.249 -14.366 -1.403 1.00 0.00 C ATOM 714 CZ TYR A 45 4.558 -14.674 -1.100 1.00 0.00 C ATOM 715 OH TYR A 45 5.268 -15.525 -1.917 1.00 0.00 O ATOM 0 H TYR A 45 1.243 -13.982 2.513 1.00 0.00 H new ATOM 0 HA TYR A 45 3.527 -12.391 3.214 1.00 0.00 H new ATOM 0 HB2 TYR A 45 1.283 -12.068 1.174 1.00 0.00 H new ATOM 0 HB3 TYR A 45 2.669 -11.000 1.274 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.915 -12.859 1.710 1.00 0.00 H new ATOM 0 HD2 TYR A 45 1.513 -13.274 -0.822 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.185 -14.374 0.252 1.00 0.00 H new ATOM 0 HE2 TYR A 45 2.781 -14.790 -2.279 1.00 0.00 H new ATOM 0 HH TYR A 45 4.698 -15.818 -2.659 1.00 0.00 H new ATOM 725 N PHE A 46 2.631 -10.502 4.515 1.00 0.00 N ATOM 726 CA PHE A 46 2.141 -9.390 5.321 1.00 0.00 C ATOM 727 C PHE A 46 2.960 -8.136 5.030 1.00 0.00 C ATOM 728 O PHE A 46 4.187 -8.152 5.134 1.00 0.00 O ATOM 729 CB PHE A 46 2.202 -9.722 6.814 1.00 0.00 C ATOM 730 CG PHE A 46 2.678 -11.114 7.113 1.00 0.00 C ATOM 731 CD1 PHE A 46 4.016 -11.448 6.986 1.00 0.00 C ATOM 732 CD2 PHE A 46 1.785 -12.089 7.530 1.00 0.00 C ATOM 733 CE1 PHE A 46 4.456 -12.727 7.267 1.00 0.00 C ATOM 734 CE2 PHE A 46 2.219 -13.370 7.813 1.00 0.00 C ATOM 735 CZ PHE A 46 3.556 -13.689 7.683 1.00 0.00 C ATOM 0 H PHE A 46 3.635 -10.667 4.593 1.00 0.00 H new ATOM 0 HA PHE A 46 1.099 -9.210 5.056 1.00 0.00 H new ATOM 0 HB2 PHE A 46 2.863 -9.010 7.307 1.00 0.00 H new ATOM 0 HB3 PHE A 46 1.210 -9.588 7.246 1.00 0.00 H new ATOM 0 HD1 PHE A 46 4.724 -10.699 6.663 1.00 0.00 H new ATOM 0 HD2 PHE A 46 0.738 -11.845 7.635 1.00 0.00 H new ATOM 0 HE1 PHE A 46 5.502 -12.974 7.162 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.513 -14.121 8.136 1.00 0.00 H new ATOM 0 HZ PHE A 46 3.898 -14.689 7.906 1.00 0.00 H new ATOM 745 N LEU A 47 2.283 -7.058 4.648 1.00 0.00 N ATOM 746 CA LEU A 47 2.969 -5.810 4.326 1.00 0.00 C ATOM 747 C LEU A 47 2.519 -4.657 5.218 1.00 0.00 C ATOM 748 O LEU A 47 1.380 -4.201 5.139 1.00 0.00 O ATOM 749 CB LEU A 47 2.737 -5.440 2.861 1.00 0.00 C ATOM 750 CG LEU A 47 3.968 -5.553 1.960 1.00 0.00 C ATOM 751 CD1 LEU A 47 3.737 -4.820 0.648 1.00 0.00 C ATOM 752 CD2 LEU A 47 5.198 -5.004 2.668 1.00 0.00 C ATOM 0 H LEU A 47 1.268 -7.022 4.554 1.00 0.00 H new ATOM 0 HA LEU A 47 4.032 -5.976 4.504 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.953 -6.082 2.460 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.365 -4.416 2.815 1.00 0.00 H new ATOM 0 HG LEU A 47 4.139 -6.607 1.740 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.623 -4.911 0.020 1.00 0.00 H new ATOM 0 HD12 LEU A 47 2.881 -5.256 0.133 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.541 -3.767 0.849 1.00 0.00 H new ATOM 0 HD21 LEU A 47 6.065 -5.092 2.013 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.037 -3.955 2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 47 5.375 -5.571 3.582 1.00 0.00 H new ATOM 764 N ARG A 48 3.440 -4.170 6.043 1.00 0.00 N ATOM 765 CA ARG A 48 3.165 -3.046 6.929 1.00 0.00 C ATOM 766 C ARG A 48 3.976 -1.836 6.478 1.00 0.00 C ATOM 767 O ARG A 48 5.201 -1.823 6.599 1.00 0.00 O ATOM 768 CB ARG A 48 3.507 -3.403 8.379 1.00 0.00 C ATOM 769 CG ARG A 48 3.553 -2.200 9.308 1.00 0.00 C ATOM 770 CD ARG A 48 4.807 -2.207 10.168 1.00 0.00 C ATOM 771 NE ARG A 48 4.755 -3.232 11.207 1.00 0.00 N ATOM 772 CZ ARG A 48 4.016 -3.132 12.307 1.00 0.00 C ATOM 773 NH1 ARG A 48 3.263 -2.057 12.508 1.00 0.00 N ATOM 774 NH2 ARG A 48 4.025 -4.106 13.206 1.00 0.00 N ATOM 0 H ARG A 48 4.388 -4.539 6.116 1.00 0.00 H new ATOM 0 HA ARG A 48 2.102 -2.809 6.881 1.00 0.00 H new ATOM 0 HB2 ARG A 48 2.769 -4.112 8.753 1.00 0.00 H new ATOM 0 HB3 ARG A 48 4.474 -3.906 8.402 1.00 0.00 H new ATOM 0 HG2 ARG A 48 3.519 -1.283 8.719 1.00 0.00 H new ATOM 0 HG3 ARG A 48 2.671 -2.200 9.949 1.00 0.00 H new ATOM 0 HD2 ARG A 48 5.679 -2.376 9.536 1.00 0.00 H new ATOM 0 HD3 ARG A 48 4.934 -1.228 10.631 1.00 0.00 H new ATOM 0 HE ARG A 48 5.318 -4.073 11.081 1.00 0.00 H new ATOM 0 HH11 ARG A 48 3.251 -1.306 11.818 1.00 0.00 H new ATOM 0 HH12 ARG A 48 2.696 -1.982 13.353 1.00 0.00 H new ATOM 0 HH21 ARG A 48 4.600 -4.935 13.054 1.00 0.00 H new ATOM 0 HH22 ARG A 48 3.457 -4.027 14.049 1.00 0.00 H new ATOM 788 N LEU A 49 3.296 -0.831 5.934 1.00 0.00 N ATOM 789 CA LEU A 49 3.978 0.361 5.442 1.00 0.00 C ATOM 790 C LEU A 49 3.437 1.637 6.076 1.00 0.00 C ATOM 791 O LEU A 49 2.230 1.878 6.088 1.00 0.00 O ATOM 792 CB LEU A 49 3.844 0.452 3.921 1.00 0.00 C ATOM 793 CG LEU A 49 4.676 -0.564 3.138 1.00 0.00 C ATOM 794 CD1 LEU A 49 4.755 -0.172 1.671 1.00 0.00 C ATOM 795 CD2 LEU A 49 6.069 -0.681 3.737 1.00 0.00 C ATOM 0 H LEU A 49 2.282 -0.818 5.823 1.00 0.00 H new ATOM 0 HA LEU A 49 5.028 0.269 5.720 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.795 0.322 3.655 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.131 1.455 3.605 1.00 0.00 H new ATOM 0 HG LEU A 49 4.189 -1.537 3.206 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.351 -0.907 1.130 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.751 -0.138 1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 49 5.220 0.810 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.649 -1.408 3.169 1.00 0.00 H new ATOM 0 HD22 LEU A 49 6.564 0.289 3.698 1.00 0.00 H new ATOM 0 HD23 LEU A 49 5.993 -1.008 4.774 1.00 0.00 H new ATOM 807 N THR A 50 4.350 2.457 6.588 1.00 0.00 N ATOM 808 CA THR A 50 3.986 3.723 7.211 1.00 0.00 C ATOM 809 C THR A 50 4.216 4.879 6.243 1.00 0.00 C ATOM 810 O THR A 50 5.357 5.230 5.940 1.00 0.00 O ATOM 811 CB THR A 50 4.798 3.974 8.495 1.00 0.00 C ATOM 812 OG1 THR A 50 5.413 2.769 8.969 1.00 0.00 O ATOM 813 CG2 THR A 50 3.911 4.530 9.598 1.00 0.00 C ATOM 0 H THR A 50 5.352 2.265 6.583 1.00 0.00 H new ATOM 0 HA THR A 50 2.929 3.664 7.471 1.00 0.00 H new ATOM 0 HB THR A 50 5.572 4.699 8.243 1.00 0.00 H new ATOM 0 HG1 THR A 50 5.923 2.960 9.784 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.508 4.699 10.494 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.472 5.473 9.271 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.117 3.817 9.820 1.00 0.00 H new ATOM 821 N LEU A 51 3.129 5.462 5.754 1.00 0.00 N ATOM 822 CA LEU A 51 3.214 6.572 4.813 1.00 0.00 C ATOM 823 C LEU A 51 3.893 7.783 5.450 1.00 0.00 C ATOM 824 O LEU A 51 3.516 8.221 6.537 1.00 0.00 O ATOM 825 CB LEU A 51 1.818 6.948 4.311 1.00 0.00 C ATOM 826 CG LEU A 51 0.910 5.761 3.975 1.00 0.00 C ATOM 827 CD1 LEU A 51 -0.485 6.241 3.612 1.00 0.00 C ATOM 828 CD2 LEU A 51 1.506 4.939 2.841 1.00 0.00 C ATOM 0 H LEU A 51 2.177 5.184 5.994 1.00 0.00 H new ATOM 0 HA LEU A 51 3.821 6.253 3.966 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.328 7.558 5.070 1.00 0.00 H new ATOM 0 HB3 LEU A 51 1.923 7.569 3.421 1.00 0.00 H new ATOM 0 HG LEU A 51 0.834 5.125 4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.115 5.383 3.377 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.913 6.785 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -0.429 6.899 2.745 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.848 4.100 2.615 1.00 0.00 H new ATOM 0 HD22 LEU A 51 1.613 5.565 1.955 1.00 0.00 H new ATOM 0 HD23 LEU A 51 2.484 4.563 3.140 1.00 0.00 H new ATOM 840 N PRO A 52 4.918 8.331 4.776 1.00 0.00 N ATOM 841 CA PRO A 52 5.672 9.490 5.269 1.00 0.00 C ATOM 842 C PRO A 52 4.777 10.648 5.705 1.00 0.00 C ATOM 843 O PRO A 52 5.166 11.457 6.547 1.00 0.00 O ATOM 844 CB PRO A 52 6.519 9.899 4.063 1.00 0.00 C ATOM 845 CG PRO A 52 6.689 8.645 3.278 1.00 0.00 C ATOM 846 CD PRO A 52 5.427 7.851 3.478 1.00 0.00 C ATOM 0 HA PRO A 52 6.251 9.240 6.158 1.00 0.00 H new ATOM 0 HB2 PRO A 52 6.023 10.671 3.474 1.00 0.00 H new ATOM 0 HB3 PRO A 52 7.481 10.305 4.374 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.847 8.865 2.222 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.559 8.086 3.621 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.710 8.028 2.676 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.626 6.779 3.497 1.00 0.00 H new ATOM 854 N GLY A 53 3.582 10.729 5.127 1.00 0.00 N ATOM 855 CA GLY A 53 2.666 11.802 5.476 1.00 0.00 C ATOM 856 C GLY A 53 1.391 11.295 6.121 1.00 0.00 C ATOM 857 O GLY A 53 1.436 10.467 7.028 1.00 0.00 O ATOM 0 H GLY A 53 3.232 10.075 4.427 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.164 12.492 6.157 1.00 0.00 H new ATOM 0 HA3 GLY A 53 2.415 12.366 4.578 1.00 0.00 H new ATOM 861 N ARG A 54 0.252 11.797 5.653 1.00 0.00 N ATOM 862 CA ARG A 54 -1.043 11.393 6.187 1.00 0.00 C ATOM 863 C ARG A 54 -2.082 11.297 5.074 1.00 0.00 C ATOM 864 O ARG A 54 -2.157 12.168 4.208 1.00 0.00 O ATOM 865 CB ARG A 54 -1.513 12.383 7.254 1.00 0.00 C ATOM 866 CG ARG A 54 -0.521 12.567 8.391 1.00 0.00 C ATOM 867 CD ARG A 54 -1.168 12.301 9.741 1.00 0.00 C ATOM 868 NE ARG A 54 -2.032 13.402 10.159 1.00 0.00 N ATOM 869 CZ ARG A 54 -1.607 14.450 10.857 1.00 0.00 C ATOM 870 NH1 ARG A 54 -0.332 14.541 11.211 1.00 0.00 N ATOM 871 NH2 ARG A 54 -2.455 15.410 11.199 1.00 0.00 N ATOM 0 H ARG A 54 0.201 12.486 4.903 1.00 0.00 H new ATOM 0 HA ARG A 54 -0.929 10.409 6.642 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -1.699 13.349 6.785 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -2.463 12.040 7.663 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.324 11.892 8.252 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.125 13.582 8.369 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.751 11.382 9.689 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -0.392 12.144 10.490 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.018 13.364 9.900 1.00 0.00 H new ATOM 0 HH11 ARG A 54 0.324 13.806 10.947 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.008 15.346 11.747 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -3.436 15.345 10.926 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -2.127 16.213 11.735 1.00 0.00 H new ATOM 885 N ILE A 55 -2.882 10.237 5.107 1.00 0.00 N ATOM 886 CA ILE A 55 -3.919 10.032 4.102 1.00 0.00 C ATOM 887 C ILE A 55 -5.303 10.043 4.739 1.00 0.00 C ATOM 888 O ILE A 55 -5.564 9.299 5.684 1.00 0.00 O ATOM 889 CB ILE A 55 -3.716 8.695 3.366 1.00 0.00 C ATOM 890 CG1 ILE A 55 -2.370 8.685 2.644 1.00 0.00 C ATOM 891 CG2 ILE A 55 -4.852 8.445 2.387 1.00 0.00 C ATOM 892 CD1 ILE A 55 -2.271 9.708 1.535 1.00 0.00 C ATOM 0 H ILE A 55 -2.833 9.507 5.818 1.00 0.00 H new ATOM 0 HA ILE A 55 -3.844 10.851 3.387 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.718 7.891 4.102 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -1.577 8.869 3.369 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -2.198 7.692 2.228 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.690 7.495 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -5.798 8.410 2.928 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -4.884 9.250 1.653 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -1.289 9.643 1.067 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.042 9.512 0.789 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -2.411 10.707 1.948 1.00 0.00 H new ATOM 904 N VAL A 56 -6.184 10.903 4.234 1.00 0.00 N ATOM 905 CA VAL A 56 -7.532 11.018 4.780 1.00 0.00 C ATOM 906 C VAL A 56 -8.317 9.724 4.640 1.00 0.00 C ATOM 907 O VAL A 56 -8.023 8.886 3.788 1.00 0.00 O ATOM 908 CB VAL A 56 -8.319 12.160 4.113 1.00 0.00 C ATOM 909 CG1 VAL A 56 -8.242 12.050 2.598 1.00 0.00 C ATOM 910 CG2 VAL A 56 -9.767 12.154 4.583 1.00 0.00 C ATOM 0 H VAL A 56 -5.989 11.527 3.451 1.00 0.00 H new ATOM 0 HA VAL A 56 -7.410 11.240 5.840 1.00 0.00 H new ATOM 0 HB VAL A 56 -7.868 13.108 4.407 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -8.805 12.866 2.145 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -7.201 12.107 2.281 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -8.666 11.097 2.280 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.309 12.968 4.102 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -10.231 11.203 4.320 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -9.799 12.286 5.664 1.00 0.00 H new ATOM 920 N GLU A 57 -9.321 9.578 5.495 1.00 0.00 N ATOM 921 CA GLU A 57 -10.170 8.399 5.496 1.00 0.00 C ATOM 922 C GLU A 57 -11.634 8.790 5.330 1.00 0.00 C ATOM 923 O GLU A 57 -12.126 9.681 6.022 1.00 0.00 O ATOM 924 CB GLU A 57 -9.981 7.625 6.800 1.00 0.00 C ATOM 925 CG GLU A 57 -10.065 8.501 8.040 1.00 0.00 C ATOM 926 CD GLU A 57 -8.734 8.626 8.757 1.00 0.00 C ATOM 927 OE1 GLU A 57 -7.844 7.786 8.506 1.00 0.00 O ATOM 928 OE2 GLU A 57 -8.582 9.563 9.567 1.00 0.00 O ATOM 0 H GLU A 57 -9.567 10.270 6.202 1.00 0.00 H new ATOM 0 HA GLU A 57 -9.885 7.765 4.656 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -10.739 6.844 6.864 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -9.012 7.127 6.781 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -10.415 9.493 7.756 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -10.805 8.086 8.724 1.00 0.00 H new ATOM 935 N ASN A 58 -12.330 8.125 4.414 1.00 0.00 N ATOM 936 CA ASN A 58 -13.738 8.423 4.180 1.00 0.00 C ATOM 937 C ASN A 58 -14.397 7.407 3.247 1.00 0.00 C ATOM 938 O ASN A 58 -15.430 7.696 2.644 1.00 0.00 O ATOM 939 CB ASN A 58 -13.884 9.831 3.598 1.00 0.00 C ATOM 940 CG ASN A 58 -13.977 10.893 4.676 1.00 0.00 C ATOM 941 OD1 ASN A 58 -14.896 10.886 5.495 1.00 0.00 O ATOM 942 ND2 ASN A 58 -13.020 11.814 4.683 1.00 0.00 N ATOM 0 H ASN A 58 -11.947 7.384 3.827 1.00 0.00 H new ATOM 0 HA ASN A 58 -14.247 8.364 5.142 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -13.032 10.045 2.953 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -14.776 9.872 2.973 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -13.028 12.553 5.386 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -12.277 11.782 3.985 1.00 0.00 H new ATOM 949 N GLY A 59 -13.815 6.215 3.136 1.00 0.00 N ATOM 950 CA GLY A 59 -14.390 5.192 2.281 1.00 0.00 C ATOM 951 C GLY A 59 -14.322 5.540 0.806 1.00 0.00 C ATOM 952 O GLY A 59 -14.885 4.830 -0.028 1.00 0.00 O ATOM 0 H GLY A 59 -12.960 5.941 3.620 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -13.868 4.250 2.450 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -15.431 5.034 2.563 1.00 0.00 H new ATOM 956 N SER A 60 -13.636 6.630 0.479 1.00 0.00 N ATOM 957 CA SER A 60 -13.508 7.058 -0.911 1.00 0.00 C ATOM 958 C SER A 60 -12.182 6.599 -1.508 1.00 0.00 C ATOM 959 O SER A 60 -11.486 7.370 -2.168 1.00 0.00 O ATOM 960 CB SER A 60 -13.627 8.580 -1.013 1.00 0.00 C ATOM 961 OG SER A 60 -14.686 9.065 -0.205 1.00 0.00 O ATOM 0 H SER A 60 -13.162 7.231 1.153 1.00 0.00 H new ATOM 0 HA SER A 60 -14.317 6.598 -1.478 1.00 0.00 H new ATOM 0 HB2 SER A 60 -12.689 9.043 -0.705 1.00 0.00 H new ATOM 0 HB3 SER A 60 -13.797 8.866 -2.051 1.00 0.00 H new ATOM 0 HG SER A 60 -14.740 10.040 -0.287 1.00 0.00 H new ATOM 967 N GLU A 61 -11.839 5.338 -1.273 1.00 0.00 N ATOM 968 CA GLU A 61 -10.594 4.777 -1.790 1.00 0.00 C ATOM 969 C GLU A 61 -10.805 4.162 -3.170 1.00 0.00 C ATOM 970 O GLU A 61 -11.935 4.057 -3.648 1.00 0.00 O ATOM 971 CB GLU A 61 -10.040 3.725 -0.825 1.00 0.00 C ATOM 972 CG GLU A 61 -11.110 3.012 -0.014 1.00 0.00 C ATOM 973 CD GLU A 61 -10.674 1.634 0.446 1.00 0.00 C ATOM 974 OE1 GLU A 61 -10.560 0.732 -0.409 1.00 0.00 O ATOM 975 OE2 GLU A 61 -10.443 1.459 1.661 1.00 0.00 O ATOM 0 H GLU A 61 -12.403 4.685 -0.729 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.871 5.588 -1.881 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -9.475 2.986 -1.393 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.339 4.205 -0.142 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.365 3.617 0.856 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.015 2.921 -0.615 1.00 0.00 H new ATOM 982 N GLN A 62 -9.710 3.755 -3.806 1.00 0.00 N ATOM 983 CA GLN A 62 -9.775 3.149 -5.131 1.00 0.00 C ATOM 984 C GLN A 62 -8.777 2.002 -5.254 1.00 0.00 C ATOM 985 O GLN A 62 -7.648 2.095 -4.771 1.00 0.00 O ATOM 986 CB GLN A 62 -9.500 4.199 -6.211 1.00 0.00 C ATOM 987 CG GLN A 62 -10.737 4.974 -6.637 1.00 0.00 C ATOM 988 CD GLN A 62 -10.487 6.467 -6.735 1.00 0.00 C ATOM 989 OE1 GLN A 62 -9.440 6.902 -7.213 1.00 0.00 O ATOM 990 NE2 GLN A 62 -11.452 7.258 -6.282 1.00 0.00 N ATOM 0 H GLN A 62 -8.767 3.834 -3.425 1.00 0.00 H new ATOM 0 HA GLN A 62 -10.779 2.750 -5.271 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -8.752 4.900 -5.842 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -9.072 3.706 -7.084 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -11.079 4.603 -7.603 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -11.540 4.790 -5.923 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -12.304 6.853 -5.894 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -11.342 8.271 -6.322 1.00 0.00 H new ATOM 999 N GLY A 63 -9.200 0.918 -5.899 1.00 0.00 N ATOM 1000 CA GLY A 63 -8.325 -0.228 -6.064 1.00 0.00 C ATOM 1001 C GLY A 63 -8.568 -0.977 -7.362 1.00 0.00 C ATOM 1002 O GLY A 63 -9.638 -0.868 -7.962 1.00 0.00 O ATOM 0 H GLY A 63 -10.128 0.814 -6.308 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.288 0.106 -6.032 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.466 -0.910 -5.225 1.00 0.00 H new ATOM 1006 N SER A 64 -7.567 -1.741 -7.790 1.00 0.00 N ATOM 1007 CA SER A 64 -7.660 -2.520 -9.020 1.00 0.00 C ATOM 1008 C SER A 64 -6.667 -3.679 -8.993 1.00 0.00 C ATOM 1009 O SER A 64 -5.458 -3.469 -8.907 1.00 0.00 O ATOM 1010 CB SER A 64 -7.391 -1.631 -10.237 1.00 0.00 C ATOM 1011 OG SER A 64 -6.477 -0.596 -9.923 1.00 0.00 O ATOM 0 H SER A 64 -6.678 -1.837 -7.300 1.00 0.00 H new ATOM 0 HA SER A 64 -8.670 -2.923 -9.095 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.993 -2.236 -11.052 1.00 0.00 H new ATOM 0 HB3 SER A 64 -8.328 -1.198 -10.589 1.00 0.00 H new ATOM 0 HG SER A 64 -6.322 -0.044 -10.718 1.00 0.00 H new ATOM 1017 N TYR A 65 -7.185 -4.902 -9.055 1.00 0.00 N ATOM 1018 CA TYR A 65 -6.337 -6.089 -9.026 1.00 0.00 C ATOM 1019 C TYR A 65 -6.462 -6.899 -10.313 1.00 0.00 C ATOM 1020 O TYR A 65 -7.561 -7.102 -10.829 1.00 0.00 O ATOM 1021 CB TYR A 65 -6.697 -6.966 -7.825 1.00 0.00 C ATOM 1022 CG TYR A 65 -6.130 -8.367 -7.901 1.00 0.00 C ATOM 1023 CD1 TYR A 65 -4.780 -8.603 -7.678 1.00 0.00 C ATOM 1024 CD2 TYR A 65 -6.947 -9.452 -8.192 1.00 0.00 C ATOM 1025 CE1 TYR A 65 -4.259 -9.881 -7.743 1.00 0.00 C ATOM 1026 CE2 TYR A 65 -6.433 -10.733 -8.259 1.00 0.00 C ATOM 1027 CZ TYR A 65 -5.090 -10.942 -8.034 1.00 0.00 C ATOM 1028 OH TYR A 65 -4.575 -12.217 -8.097 1.00 0.00 O ATOM 0 H TYR A 65 -8.184 -5.097 -9.125 1.00 0.00 H new ATOM 0 HA TYR A 65 -5.303 -5.755 -8.936 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -6.336 -6.487 -6.915 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -7.782 -7.027 -7.744 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -4.126 -7.774 -7.450 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -8.000 -9.292 -8.369 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -3.207 -10.048 -7.567 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -7.081 -11.566 -8.487 1.00 0.00 H new ATOM 0 HH TYR A 65 -5.292 -12.849 -8.311 1.00 0.00 H new ATOM 1038 N ASP A 66 -5.324 -7.366 -10.817 1.00 0.00 N ATOM 1039 CA ASP A 66 -5.291 -8.165 -12.037 1.00 0.00 C ATOM 1040 C ASP A 66 -4.713 -9.548 -11.747 1.00 0.00 C ATOM 1041 O ASP A 66 -3.571 -9.674 -11.305 1.00 0.00 O ATOM 1042 CB ASP A 66 -4.460 -7.462 -13.111 1.00 0.00 C ATOM 1043 CG ASP A 66 -5.169 -7.410 -14.451 1.00 0.00 C ATOM 1044 OD1 ASP A 66 -5.912 -6.435 -14.691 1.00 0.00 O ATOM 1045 OD2 ASP A 66 -4.980 -8.342 -15.260 1.00 0.00 O ATOM 0 H ASP A 66 -4.409 -7.204 -10.397 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.311 -8.280 -12.404 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.233 -6.447 -12.784 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.508 -7.980 -13.227 1.00 0.00 H new ATOM 1050 N ALA A 67 -5.513 -10.582 -11.988 1.00 0.00 N ATOM 1051 CA ALA A 67 -5.086 -11.956 -11.741 1.00 0.00 C ATOM 1052 C ALA A 67 -4.037 -12.406 -12.752 1.00 0.00 C ATOM 1053 O ALA A 67 -2.963 -12.878 -12.376 1.00 0.00 O ATOM 1054 CB ALA A 67 -6.273 -12.905 -11.759 1.00 0.00 C ATOM 0 H ALA A 67 -6.461 -10.495 -12.354 1.00 0.00 H new ATOM 0 HA ALA A 67 -4.633 -11.981 -10.750 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -5.928 -13.922 -11.573 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -6.983 -12.615 -10.984 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -6.760 -12.860 -12.733 1.00 0.00 H new ATOM 1060 N ASP A 68 -4.350 -12.262 -14.035 1.00 0.00 N ATOM 1061 CA ASP A 68 -3.432 -12.658 -15.093 1.00 0.00 C ATOM 1062 C ASP A 68 -2.079 -11.978 -14.922 1.00 0.00 C ATOM 1063 O ASP A 68 -1.032 -12.619 -15.028 1.00 0.00 O ATOM 1064 CB ASP A 68 -4.024 -12.308 -16.458 1.00 0.00 C ATOM 1065 CG ASP A 68 -5.381 -12.944 -16.680 1.00 0.00 C ATOM 1066 OD1 ASP A 68 -5.457 -14.190 -16.704 1.00 0.00 O ATOM 1067 OD2 ASP A 68 -6.370 -12.196 -16.832 1.00 0.00 O ATOM 0 H ASP A 68 -5.233 -11.874 -14.366 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.284 -13.736 -15.032 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.115 -11.225 -16.545 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -3.340 -12.634 -17.242 1.00 0.00 H new ATOM 1072 N LYS A 69 -2.106 -10.676 -14.660 1.00 0.00 N ATOM 1073 CA LYS A 69 -0.882 -9.907 -14.477 1.00 0.00 C ATOM 1074 C LYS A 69 -0.376 -10.012 -13.041 1.00 0.00 C ATOM 1075 O LYS A 69 0.819 -9.880 -12.783 1.00 0.00 O ATOM 1076 CB LYS A 69 -1.122 -8.440 -14.837 1.00 0.00 C ATOM 1077 CG LYS A 69 0.156 -7.650 -15.064 1.00 0.00 C ATOM 1078 CD LYS A 69 -0.106 -6.387 -15.869 1.00 0.00 C ATOM 1079 CE LYS A 69 -1.135 -5.498 -15.188 1.00 0.00 C ATOM 1080 NZ LYS A 69 -1.155 -4.128 -15.769 1.00 0.00 N ATOM 0 H LYS A 69 -2.963 -10.131 -14.570 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.122 -10.321 -15.139 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.734 -8.392 -15.738 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -1.694 -7.968 -14.038 1.00 0.00 H new ATOM 0 HG2 LYS A 69 0.597 -7.385 -14.103 1.00 0.00 H new ATOM 0 HG3 LYS A 69 0.882 -8.272 -15.587 1.00 0.00 H new ATOM 0 HD2 LYS A 69 0.826 -5.836 -15.997 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -0.457 -6.655 -16.865 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.123 -5.947 -15.284 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.914 -5.437 -14.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -1.869 -3.553 -15.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -0.219 -3.689 -15.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.391 -4.183 -16.780 1.00 0.00 H new ATOM 1094 N GLY A 70 -1.294 -10.251 -12.109 1.00 0.00 N ATOM 1095 CA GLY A 70 -0.918 -10.369 -10.711 1.00 0.00 C ATOM 1096 C GLY A 70 -0.400 -9.065 -10.137 1.00 0.00 C ATOM 1097 O GLY A 70 0.759 -8.973 -9.731 1.00 0.00 O ATOM 0 H GLY A 70 -2.290 -10.365 -12.296 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.781 -10.699 -10.133 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.152 -11.137 -10.608 1.00 0.00 H new ATOM 1101 N ILE A 71 -1.261 -8.054 -10.105 1.00 0.00 N ATOM 1102 CA ILE A 71 -0.885 -6.747 -9.576 1.00 0.00 C ATOM 1103 C ILE A 71 -2.076 -6.040 -8.938 1.00 0.00 C ATOM 1104 O ILE A 71 -3.086 -5.786 -9.594 1.00 0.00 O ATOM 1105 CB ILE A 71 -0.296 -5.842 -10.674 1.00 0.00 C ATOM 1106 CG1 ILE A 71 0.587 -6.656 -11.622 1.00 0.00 C ATOM 1107 CG2 ILE A 71 0.500 -4.704 -10.049 1.00 0.00 C ATOM 1108 CD1 ILE A 71 1.584 -5.816 -12.391 1.00 0.00 C ATOM 0 H ILE A 71 -2.223 -8.114 -10.439 1.00 0.00 H new ATOM 0 HA ILE A 71 -0.125 -6.927 -8.815 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.117 -5.416 -11.251 1.00 0.00 H new ATOM 0 HG12 ILE A 71 1.126 -7.409 -11.047 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.048 -7.189 -12.329 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.911 -4.072 -10.836 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -0.154 -4.110 -9.411 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.314 -5.115 -9.452 1.00 0.00 H new ATOM 0 HD11 ILE A 71 2.175 -6.459 -13.043 1.00 0.00 H new ATOM 0 HD12 ILE A 71 1.052 -5.080 -12.993 1.00 0.00 H new ATOM 0 HD13 ILE A 71 2.244 -5.303 -11.691 1.00 0.00 H new ATOM 1120 N PHE A 72 -1.945 -5.719 -7.655 1.00 0.00 N ATOM 1121 CA PHE A 72 -3.004 -5.033 -6.924 1.00 0.00 C ATOM 1122 C PHE A 72 -2.594 -3.599 -6.610 1.00 0.00 C ATOM 1123 O PHE A 72 -1.695 -3.362 -5.802 1.00 0.00 O ATOM 1124 CB PHE A 72 -3.327 -5.783 -5.630 1.00 0.00 C ATOM 1125 CG PHE A 72 -4.085 -4.960 -4.627 1.00 0.00 C ATOM 1126 CD1 PHE A 72 -5.027 -4.032 -5.043 1.00 0.00 C ATOM 1127 CD2 PHE A 72 -3.857 -5.116 -3.270 1.00 0.00 C ATOM 1128 CE1 PHE A 72 -5.727 -3.275 -4.122 1.00 0.00 C ATOM 1129 CE2 PHE A 72 -4.554 -4.362 -2.344 1.00 0.00 C ATOM 1130 CZ PHE A 72 -5.490 -3.440 -2.771 1.00 0.00 C ATOM 0 H PHE A 72 -1.114 -5.923 -7.099 1.00 0.00 H new ATOM 0 HA PHE A 72 -3.896 -5.011 -7.550 1.00 0.00 H new ATOM 0 HB2 PHE A 72 -3.910 -6.672 -5.872 1.00 0.00 H new ATOM 0 HB3 PHE A 72 -2.396 -6.125 -5.177 1.00 0.00 H new ATOM 0 HD1 PHE A 72 -5.216 -3.899 -6.098 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -3.126 -5.835 -2.931 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -6.459 -2.555 -4.458 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -4.367 -4.494 -1.288 1.00 0.00 H new ATOM 0 HZ PHE A 72 -6.035 -2.849 -2.050 1.00 0.00 H new ATOM 1140 N THR A 73 -3.255 -2.643 -7.256 1.00 0.00 N ATOM 1141 CA THR A 73 -2.954 -1.232 -7.044 1.00 0.00 C ATOM 1142 C THR A 73 -4.052 -0.545 -6.241 1.00 0.00 C ATOM 1143 O THR A 73 -5.225 -0.903 -6.341 1.00 0.00 O ATOM 1144 CB THR A 73 -2.770 -0.489 -8.381 1.00 0.00 C ATOM 1145 OG1 THR A 73 -2.387 -1.386 -9.430 1.00 0.00 O ATOM 1146 CG2 THR A 73 -1.705 0.590 -8.255 1.00 0.00 C ATOM 0 H THR A 73 -4.001 -2.820 -7.929 1.00 0.00 H new ATOM 0 HA THR A 73 -2.021 -1.192 -6.482 1.00 0.00 H new ATOM 0 HB THR A 73 -3.730 -0.037 -8.628 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.280 -0.885 -10.266 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.591 1.102 -9.210 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.003 1.308 -7.491 1.00 0.00 H new ATOM 0 HG23 THR A 73 -0.756 0.134 -7.973 1.00 0.00 H new ATOM 1154 N ILE A 74 -3.660 0.443 -5.443 1.00 0.00 N ATOM 1155 CA ILE A 74 -4.609 1.181 -4.621 1.00 0.00 C ATOM 1156 C ILE A 74 -4.301 2.676 -4.634 1.00 0.00 C ATOM 1157 O ILE A 74 -3.158 3.085 -4.838 1.00 0.00 O ATOM 1158 CB ILE A 74 -4.607 0.665 -3.163 1.00 0.00 C ATOM 1159 CG1 ILE A 74 -5.957 0.935 -2.497 1.00 0.00 C ATOM 1160 CG2 ILE A 74 -3.479 1.302 -2.362 1.00 0.00 C ATOM 1161 CD1 ILE A 74 -7.024 -0.076 -2.857 1.00 0.00 C ATOM 0 H ILE A 74 -2.692 0.750 -5.349 1.00 0.00 H new ATOM 0 HA ILE A 74 -5.598 1.020 -5.049 1.00 0.00 H new ATOM 0 HB ILE A 74 -4.441 -0.412 -3.185 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -5.824 0.941 -1.415 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -6.300 1.930 -2.781 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.499 0.923 -1.340 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -2.522 1.055 -2.822 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -3.608 2.384 -2.350 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.954 0.179 -2.348 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -7.186 -0.066 -3.935 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -6.702 -1.070 -2.548 1.00 0.00 H new ATOM 1173 N ARG A 75 -5.327 3.486 -4.399 1.00 0.00 N ATOM 1174 CA ARG A 75 -5.176 4.937 -4.363 1.00 0.00 C ATOM 1175 C ARG A 75 -5.927 5.492 -3.166 1.00 0.00 C ATOM 1176 O ARG A 75 -7.000 4.996 -2.818 1.00 0.00 O ATOM 1177 CB ARG A 75 -5.696 5.563 -5.658 1.00 0.00 C ATOM 1178 CG ARG A 75 -5.288 4.799 -6.907 1.00 0.00 C ATOM 1179 CD ARG A 75 -6.377 4.846 -7.965 1.00 0.00 C ATOM 1180 NE ARG A 75 -6.937 6.186 -8.110 1.00 0.00 N ATOM 1181 CZ ARG A 75 -7.603 6.594 -9.184 1.00 0.00 C ATOM 1182 NH1 ARG A 75 -7.802 5.764 -10.199 1.00 0.00 N ATOM 1183 NH2 ARG A 75 -8.075 7.832 -9.243 1.00 0.00 N ATOM 0 H ARG A 75 -6.279 3.160 -4.229 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.119 5.184 -4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.784 5.618 -5.614 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -5.328 6.586 -5.731 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -4.368 5.222 -7.310 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.075 3.762 -6.648 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.969 4.518 -8.921 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -7.171 4.147 -7.700 1.00 0.00 H new ATOM 0 HE ARG A 75 -6.810 6.846 -7.343 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.443 4.810 -10.156 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -8.314 6.079 -11.023 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -7.927 8.472 -8.463 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -8.586 8.144 -10.069 1.00 0.00 H new ATOM 1197 N LEU A 76 -5.359 6.497 -2.514 1.00 0.00 N ATOM 1198 CA LEU A 76 -5.985 7.075 -1.338 1.00 0.00 C ATOM 1199 C LEU A 76 -5.932 8.602 -1.361 1.00 0.00 C ATOM 1200 O LEU A 76 -5.005 9.194 -1.912 1.00 0.00 O ATOM 1201 CB LEU A 76 -5.282 6.543 -0.096 1.00 0.00 C ATOM 1202 CG LEU A 76 -5.138 5.020 -0.039 1.00 0.00 C ATOM 1203 CD1 LEU A 76 -3.711 4.631 0.312 1.00 0.00 C ATOM 1204 CD2 LEU A 76 -6.117 4.431 0.964 1.00 0.00 C ATOM 0 H LEU A 76 -4.472 6.925 -2.779 1.00 0.00 H new ATOM 0 HA LEU A 76 -7.037 6.789 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -4.289 6.990 -0.039 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -5.832 6.875 0.785 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.370 4.614 -1.024 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -3.628 3.545 0.348 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -3.031 5.022 -0.445 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -3.449 5.047 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.001 3.348 0.992 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.917 4.843 1.953 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -7.136 4.680 0.667 1.00 0.00 H new ATOM 1216 N PRO A 77 -6.932 9.259 -0.747 1.00 0.00 N ATOM 1217 CA PRO A 77 -7.002 10.721 -0.682 1.00 0.00 C ATOM 1218 C PRO A 77 -6.066 11.297 0.378 1.00 0.00 C ATOM 1219 O PRO A 77 -5.726 10.626 1.355 1.00 0.00 O ATOM 1220 CB PRO A 77 -8.460 10.977 -0.308 1.00 0.00 C ATOM 1221 CG PRO A 77 -8.857 9.783 0.491 1.00 0.00 C ATOM 1222 CD PRO A 77 -8.070 8.620 -0.059 1.00 0.00 C ATOM 0 HA PRO A 77 -6.695 11.193 -1.615 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -8.566 11.895 0.271 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -9.084 11.086 -1.195 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -8.639 9.934 1.548 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.928 9.600 0.409 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -7.734 7.953 0.735 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.668 8.022 -0.746 1.00 0.00 H new ATOM 1230 N LYS A 78 -5.656 12.546 0.192 1.00 0.00 N ATOM 1231 CA LYS A 78 -4.761 13.196 1.140 1.00 0.00 C ATOM 1232 C LYS A 78 -5.532 14.112 2.085 1.00 0.00 C ATOM 1233 O LYS A 78 -6.585 14.643 1.733 1.00 0.00 O ATOM 1234 CB LYS A 78 -3.693 13.998 0.395 1.00 0.00 C ATOM 1235 CG LYS A 78 -2.965 13.195 -0.671 1.00 0.00 C ATOM 1236 CD LYS A 78 -2.170 12.051 -0.060 1.00 0.00 C ATOM 1237 CE LYS A 78 -0.728 12.056 -0.542 1.00 0.00 C ATOM 1238 NZ LYS A 78 0.029 13.225 -0.015 1.00 0.00 N ATOM 0 H LYS A 78 -5.927 13.126 -0.602 1.00 0.00 H new ATOM 0 HA LYS A 78 -4.279 12.419 1.733 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -4.161 14.865 -0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -2.966 14.375 1.114 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -3.686 12.798 -1.385 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -2.294 13.850 -1.227 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -2.192 12.131 1.027 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -2.638 11.102 -0.319 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -0.237 11.134 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -0.709 12.073 -1.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 0.518 13.703 -0.798 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.630 13.889 0.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 0.728 12.900 0.683 1.00 0.00 H new ATOM 1252 N GLU A 79 -4.995 14.292 3.286 1.00 0.00 N ATOM 1253 CA GLU A 79 -5.624 15.144 4.287 1.00 0.00 C ATOM 1254 C GLU A 79 -5.170 16.593 4.128 1.00 0.00 C ATOM 1255 O GLU A 79 -5.648 17.484 4.830 1.00 0.00 O ATOM 1256 CB GLU A 79 -5.289 14.641 5.693 1.00 0.00 C ATOM 1257 CG GLU A 79 -5.707 15.595 6.800 1.00 0.00 C ATOM 1258 CD GLU A 79 -4.533 16.352 7.389 1.00 0.00 C ATOM 1259 OE1 GLU A 79 -3.556 15.698 7.813 1.00 0.00 O ATOM 1260 OE2 GLU A 79 -4.588 17.599 7.426 1.00 0.00 O ATOM 0 H GLU A 79 -4.124 13.858 3.590 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.703 15.103 4.142 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -5.777 13.679 5.851 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.215 14.468 5.761 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -6.433 16.306 6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.206 15.033 7.590 1.00 0.00 H new ATOM 1267 N THR A 80 -4.246 16.823 3.199 1.00 0.00 N ATOM 1268 CA THR A 80 -3.730 18.164 2.951 1.00 0.00 C ATOM 1269 C THR A 80 -3.137 18.277 1.551 1.00 0.00 C ATOM 1270 O THR A 80 -2.201 17.556 1.203 1.00 0.00 O ATOM 1271 CB THR A 80 -2.653 18.550 3.981 1.00 0.00 C ATOM 1272 OG1 THR A 80 -3.195 18.617 5.305 1.00 0.00 O ATOM 1273 CG2 THR A 80 -2.042 19.902 3.642 1.00 0.00 C ATOM 0 H THR A 80 -3.840 16.098 2.607 1.00 0.00 H new ATOM 0 HA THR A 80 -4.574 18.848 3.042 1.00 0.00 H new ATOM 0 HB THR A 80 -1.887 17.775 3.944 1.00 0.00 H new ATOM 0 HG1 THR A 80 -4.145 18.376 5.282 1.00 0.00 H new ATOM 0 HG21 THR A 80 -1.284 20.155 4.383 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.583 19.857 2.654 1.00 0.00 H new ATOM 0 HG23 THR A 80 -2.821 20.664 3.646 1.00 0.00 H new ATOM 1281 N PRO A 81 -3.673 19.193 0.730 1.00 0.00 N ATOM 1282 CA PRO A 81 -3.191 19.407 -0.638 1.00 0.00 C ATOM 1283 C PRO A 81 -1.733 19.856 -0.665 1.00 0.00 C ATOM 1284 O PRO A 81 -1.276 20.566 0.232 1.00 0.00 O ATOM 1285 CB PRO A 81 -4.104 20.515 -1.180 1.00 0.00 C ATOM 1286 CG PRO A 81 -4.690 21.165 0.029 1.00 0.00 C ATOM 1287 CD PRO A 81 -4.785 20.091 1.074 1.00 0.00 C ATOM 0 HA PRO A 81 -3.225 18.492 -1.229 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -3.541 21.231 -1.779 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.883 20.104 -1.823 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.063 21.988 0.372 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -5.672 21.583 -0.191 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -4.679 20.497 2.080 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.745 19.576 1.037 1.00 0.00 H new ATOM 1295 N GLY A 82 -1.006 19.437 -1.695 1.00 0.00 N ATOM 1296 CA GLY A 82 0.392 19.806 -1.812 1.00 0.00 C ATOM 1297 C GLY A 82 1.303 18.893 -1.015 1.00 0.00 C ATOM 1298 O GLY A 82 2.517 19.092 -0.980 1.00 0.00 O ATOM 0 H GLY A 82 -1.359 18.849 -2.450 1.00 0.00 H new ATOM 0 HA2 GLY A 82 0.685 19.779 -2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 82 0.523 20.833 -1.470 1.00 0.00 H new ATOM 1302 N GLN A 83 0.714 17.890 -0.371 1.00 0.00 N ATOM 1303 CA GLN A 83 1.474 16.942 0.432 1.00 0.00 C ATOM 1304 C GLN A 83 2.161 15.905 -0.453 1.00 0.00 C ATOM 1305 O GLN A 83 1.518 15.251 -1.274 1.00 0.00 O ATOM 1306 CB GLN A 83 0.547 16.248 1.429 1.00 0.00 C ATOM 1307 CG GLN A 83 1.254 15.257 2.333 1.00 0.00 C ATOM 1308 CD GLN A 83 1.744 15.892 3.621 1.00 0.00 C ATOM 1309 OE1 GLN A 83 1.027 15.928 4.620 1.00 0.00 O ATOM 1310 NE2 GLN A 83 2.972 16.397 3.602 1.00 0.00 N ATOM 0 H GLN A 83 -0.290 17.714 -0.391 1.00 0.00 H new ATOM 0 HA GLN A 83 2.244 17.490 0.975 1.00 0.00 H new ATOM 0 HB2 GLN A 83 0.059 17.004 2.045 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -0.239 15.729 0.880 1.00 0.00 H new ATOM 0 HG2 GLN A 83 0.575 14.438 2.571 1.00 0.00 H new ATOM 0 HG3 GLN A 83 2.101 14.824 1.800 1.00 0.00 H new ATOM 0 HE21 GLN A 83 3.532 16.345 2.751 1.00 0.00 H new ATOM 0 HE22 GLN A 83 3.356 16.837 4.439 1.00 0.00 H new ATOM 1319 N HIS A 84 3.471 15.761 -0.279 1.00 0.00 N ATOM 1320 CA HIS A 84 4.245 14.804 -1.062 1.00 0.00 C ATOM 1321 C HIS A 84 5.021 13.859 -0.150 1.00 0.00 C ATOM 1322 O HIS A 84 5.884 14.289 0.615 1.00 0.00 O ATOM 1323 CB HIS A 84 5.210 15.538 -1.994 1.00 0.00 C ATOM 1324 CG HIS A 84 5.892 14.640 -2.978 1.00 0.00 C ATOM 1325 ND1 HIS A 84 7.233 14.741 -3.285 1.00 0.00 N ATOM 1326 CD2 HIS A 84 5.412 13.620 -3.728 1.00 0.00 C ATOM 1327 CE1 HIS A 84 7.548 13.821 -4.180 1.00 0.00 C ATOM 1328 NE2 HIS A 84 6.462 13.128 -4.465 1.00 0.00 N ATOM 0 H HIS A 84 4.018 16.294 0.397 1.00 0.00 H new ATOM 0 HA HIS A 84 3.550 14.215 -1.661 1.00 0.00 H new ATOM 0 HB2 HIS A 84 4.662 16.308 -2.537 1.00 0.00 H new ATOM 0 HB3 HIS A 84 5.965 16.046 -1.394 1.00 0.00 H new ATOM 0 HD2 HIS A 84 4.394 13.260 -3.744 1.00 0.00 H new ATOM 0 HE1 HIS A 84 8.528 13.663 -4.606 1.00 0.00 H new ATOM 0 HE2 HIS A 84 6.410 12.353 -5.126 1.00 0.00 H new ATOM 1337 N PHE A 85 4.705 12.571 -0.233 1.00 0.00 N ATOM 1338 CA PHE A 85 5.367 11.567 0.586 1.00 0.00 C ATOM 1339 C PHE A 85 6.785 11.302 0.085 1.00 0.00 C ATOM 1340 O PHE A 85 7.003 10.443 -0.769 1.00 0.00 O ATOM 1341 CB PHE A 85 4.556 10.273 0.575 1.00 0.00 C ATOM 1342 CG PHE A 85 3.224 10.392 1.260 1.00 0.00 C ATOM 1343 CD1 PHE A 85 2.751 11.627 1.681 1.00 0.00 C ATOM 1344 CD2 PHE A 85 2.443 9.270 1.483 1.00 0.00 C ATOM 1345 CE1 PHE A 85 1.526 11.736 2.312 1.00 0.00 C ATOM 1346 CE2 PHE A 85 1.217 9.374 2.112 1.00 0.00 C ATOM 1347 CZ PHE A 85 0.758 10.608 2.527 1.00 0.00 C ATOM 0 H PHE A 85 3.993 12.199 -0.861 1.00 0.00 H new ATOM 0 HA PHE A 85 5.432 11.943 1.607 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.398 9.962 -0.458 1.00 0.00 H new ATOM 0 HB3 PHE A 85 5.135 9.487 1.059 1.00 0.00 H new ATOM 0 HD1 PHE A 85 3.346 12.512 1.514 1.00 0.00 H new ATOM 0 HD2 PHE A 85 2.797 8.302 1.161 1.00 0.00 H new ATOM 0 HE1 PHE A 85 1.170 12.702 2.637 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.618 8.491 2.279 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.200 10.691 3.019 1.00 0.00 H new ATOM 1357 N GLU A 86 7.742 12.056 0.614 1.00 0.00 N ATOM 1358 CA GLU A 86 9.139 11.920 0.219 1.00 0.00 C ATOM 1359 C GLU A 86 9.732 10.589 0.677 1.00 0.00 C ATOM 1360 O GLU A 86 9.136 9.869 1.479 1.00 0.00 O ATOM 1361 CB GLU A 86 9.958 13.073 0.804 1.00 0.00 C ATOM 1362 CG GLU A 86 9.866 14.358 -0.001 1.00 0.00 C ATOM 1363 CD GLU A 86 11.135 15.184 0.071 1.00 0.00 C ATOM 1364 OE1 GLU A 86 11.813 15.141 1.120 1.00 0.00 O ATOM 1365 OE2 GLU A 86 11.453 15.874 -0.920 1.00 0.00 O ATOM 0 H GLU A 86 7.574 12.772 1.321 1.00 0.00 H new ATOM 0 HA GLU A 86 9.179 11.948 -0.870 1.00 0.00 H new ATOM 0 HB2 GLU A 86 9.620 13.267 1.822 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.003 12.769 0.868 1.00 0.00 H new ATOM 0 HG2 GLU A 86 9.654 14.115 -1.042 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.029 14.952 0.365 1.00 0.00 H new ATOM 1372 N GLY A 87 10.920 10.280 0.162 1.00 0.00 N ATOM 1373 CA GLY A 87 11.607 9.050 0.519 1.00 0.00 C ATOM 1374 C GLY A 87 10.674 7.864 0.687 1.00 0.00 C ATOM 1375 O GLY A 87 10.836 7.072 1.615 1.00 0.00 O ATOM 0 H GLY A 87 11.423 10.867 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 87 12.343 8.817 -0.251 1.00 0.00 H new ATOM 0 HA3 GLY A 87 12.155 9.206 1.448 1.00 0.00 H new ATOM 1379 N LEU A 88 9.700 7.736 -0.206 1.00 0.00 N ATOM 1380 CA LEU A 88 8.750 6.631 -0.136 1.00 0.00 C ATOM 1381 C LEU A 88 9.466 5.291 -0.255 1.00 0.00 C ATOM 1382 O LEU A 88 9.423 4.476 0.666 1.00 0.00 O ATOM 1383 CB LEU A 88 7.705 6.763 -1.239 1.00 0.00 C ATOM 1384 CG LEU A 88 6.362 7.344 -0.797 1.00 0.00 C ATOM 1385 CD1 LEU A 88 5.406 7.434 -1.977 1.00 0.00 C ATOM 1386 CD2 LEU A 88 5.760 6.499 0.316 1.00 0.00 C ATOM 0 H LEU A 88 9.547 8.379 -0.983 1.00 0.00 H new ATOM 0 HA LEU A 88 8.253 6.671 0.833 1.00 0.00 H new ATOM 0 HB2 LEU A 88 8.112 7.393 -2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.532 5.778 -1.673 1.00 0.00 H new ATOM 0 HG LEU A 88 6.529 8.351 -0.414 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.455 7.850 -1.644 1.00 0.00 H new ATOM 0 HD12 LEU A 88 5.835 8.078 -2.744 1.00 0.00 H new ATOM 0 HD13 LEU A 88 5.242 6.438 -2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 88 4.804 6.925 0.620 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.606 5.481 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.438 6.484 1.169 1.00 0.00 H new ATOM 1398 N ASN A 89 10.126 5.056 -1.391 1.00 0.00 N ATOM 1399 CA ASN A 89 10.845 3.806 -1.610 1.00 0.00 C ATOM 1400 C ASN A 89 12.219 3.832 -0.946 1.00 0.00 C ATOM 1401 O ASN A 89 13.069 2.984 -1.220 1.00 0.00 O ATOM 1402 CB ASN A 89 10.999 3.536 -3.109 1.00 0.00 C ATOM 1403 CG ASN A 89 10.910 2.061 -3.444 1.00 0.00 C ATOM 1404 OD1 ASN A 89 11.752 1.522 -4.161 1.00 0.00 O ATOM 1405 ND2 ASN A 89 9.882 1.398 -2.927 1.00 0.00 N ATOM 0 H ASN A 89 10.176 5.714 -2.169 1.00 0.00 H new ATOM 0 HA ASN A 89 10.261 3.004 -1.157 1.00 0.00 H new ATOM 0 HB2 ASN A 89 10.225 4.077 -3.654 1.00 0.00 H new ATOM 0 HB3 ASN A 89 11.959 3.925 -3.449 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.768 0.403 -3.120 1.00 0.00 H new ATOM 0 HD22 ASN A 89 9.206 1.884 -2.337 1.00 0.00 H new