USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 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 17 HIS : no HD1:sc= -1.79 K(o=-3.6,f=-2.7) USER MOD Set 1.2: A 81 GLN : amide:sc= -1.85 K(o=-3.6,f=-1.9) USER MOD Set 2.1: A 15 SER OG : rot 121:sc= 1.3 USER MOD Set 2.2: A 73 HIS : no HE2:sc= -4.17! C(o=-2.9!,f=-10!) USER MOD Single : A 16 ASN : amide:sc= -4.15! C(o=-4.1!,f=-17!) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -117:sc= -5.24 (180deg=-8.33!) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0094 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.094) USER MOD Single : A 35 SER OG : rot -25:sc= 0.661 USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= -0.0228 (180deg=-0.207) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.00868 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0652 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.0724 K(o=-0.072,f=-1.5!) USER MOD Single : A 67 THR OG1 : rot -11:sc= 0.672 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot 89:sc= 0.06 USER MOD Single : A 75 MET CE :methyl 137:sc= -3.57! (180deg=-6.76!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 10.781 9.314 1.678 1.00 0.00 N ATOM 81 CA ALA A 9 9.698 8.367 1.445 1.00 0.00 C ATOM 82 C ALA A 9 9.694 7.883 -0.001 1.00 0.00 C ATOM 83 O ALA A 9 10.038 8.629 -0.916 1.00 0.00 O ATOM 84 CB ALA A 9 8.359 9.000 1.795 1.00 0.00 C ATOM 0 HA ALA A 9 9.859 7.503 2.090 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.559 8.282 1.616 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.357 9.291 2.846 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.200 9.882 1.174 1.00 0.00 H new ATOM 90 N ARG A 10 9.302 6.629 -0.199 1.00 0.00 N ATOM 91 CA ARG A 10 9.255 6.043 -1.533 1.00 0.00 C ATOM 92 C ARG A 10 7.826 6.027 -2.070 1.00 0.00 C ATOM 93 O ARG A 10 6.863 5.830 -1.330 1.00 0.00 O ATOM 94 CB ARG A 10 9.819 4.621 -1.510 1.00 0.00 C ATOM 95 CG ARG A 10 11.233 4.537 -0.958 1.00 0.00 C ATOM 96 CD ARG A 10 12.272 4.698 -2.058 1.00 0.00 C ATOM 97 NE ARG A 10 13.564 5.126 -1.531 1.00 0.00 N ATOM 98 CZ ARG A 10 14.575 5.522 -2.296 1.00 0.00 C ATOM 99 NH1 ARG A 10 14.443 5.543 -3.616 1.00 0.00 N ATOM 100 NH2 ARG A 10 15.721 5.898 -1.743 1.00 0.00 N ATOM 0 H ARG A 10 9.012 5.998 0.548 1.00 0.00 H new ATOM 0 HA ARG A 10 9.866 6.658 -2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.165 3.989 -0.909 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.809 4.218 -2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.377 5.311 -0.204 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.374 3.577 -0.461 1.00 0.00 H new ATOM 0 HD2 ARG A 10 12.391 3.752 -2.586 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.918 5.427 -2.787 1.00 0.00 H new ATOM 0 HE ARG A 10 13.698 5.121 -0.520 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.564 5.255 -4.045 1.00 0.00 H new ATOM 0 HH12 ARG A 10 15.221 5.847 -4.202 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.827 5.883 -0.729 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.496 6.202 -2.332 1.00 0.00 H new ATOM 114 N PRO A 11 7.686 6.239 -3.387 1.00 0.00 N ATOM 115 CA PRO A 11 6.380 6.253 -4.052 1.00 0.00 C ATOM 116 C PRO A 11 5.743 4.869 -4.106 1.00 0.00 C ATOM 117 O PRO A 11 6.434 3.862 -4.267 1.00 0.00 O ATOM 118 CB PRO A 11 6.706 6.749 -5.463 1.00 0.00 C ATOM 119 CG PRO A 11 8.133 6.376 -5.675 1.00 0.00 C ATOM 120 CD PRO A 11 8.793 6.479 -4.329 1.00 0.00 C ATOM 0 HA PRO A 11 5.659 6.876 -3.523 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.060 6.282 -6.206 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.562 7.826 -5.547 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.217 5.365 -6.074 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.608 7.043 -6.394 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.587 5.741 -4.213 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.245 7.459 -4.177 1.00 0.00 H new ATOM 128 N PHE A 12 4.421 4.825 -3.973 1.00 0.00 N ATOM 129 CA PHE A 12 3.691 3.563 -4.007 1.00 0.00 C ATOM 130 C PHE A 12 2.311 3.751 -4.632 1.00 0.00 C ATOM 131 O PHE A 12 1.721 4.827 -4.546 1.00 0.00 O ATOM 132 CB PHE A 12 3.551 2.992 -2.595 1.00 0.00 C ATOM 133 CG PHE A 12 4.862 2.835 -1.879 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.803 1.920 -2.323 1.00 0.00 C ATOM 135 CD2 PHE A 12 5.153 3.603 -0.762 1.00 0.00 C ATOM 136 CE1 PHE A 12 7.011 1.774 -1.666 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.359 3.461 -0.103 1.00 0.00 C ATOM 138 CZ PHE A 12 7.288 2.545 -0.554 1.00 0.00 C ATOM 0 H PHE A 12 3.834 5.648 -3.841 1.00 0.00 H new ATOM 0 HA PHE A 12 4.256 2.861 -4.620 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.903 3.645 -2.010 1.00 0.00 H new ATOM 0 HB3 PHE A 12 3.058 2.021 -2.651 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.591 1.314 -3.192 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.429 4.320 -0.403 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.737 1.058 -2.022 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.575 4.067 0.765 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.230 2.431 -0.038 1.00 0.00 H new ATOM 148 N ARG A 13 1.804 2.694 -5.259 1.00 0.00 N ATOM 149 CA ARG A 13 0.495 2.742 -5.899 1.00 0.00 C ATOM 150 C ARG A 13 -0.558 2.056 -5.035 1.00 0.00 C ATOM 151 O ARG A 13 -0.273 1.071 -4.355 1.00 0.00 O ATOM 152 CB ARG A 13 0.552 2.077 -7.276 1.00 0.00 C ATOM 153 CG ARG A 13 0.936 3.030 -8.397 1.00 0.00 C ATOM 154 CD ARG A 13 0.979 2.320 -9.740 1.00 0.00 C ATOM 155 NE ARG A 13 1.832 3.017 -10.701 1.00 0.00 N ATOM 156 CZ ARG A 13 1.862 2.733 -11.997 1.00 0.00 C ATOM 157 NH1 ARG A 13 1.091 1.772 -12.487 1.00 0.00 N ATOM 158 NH2 ARG A 13 2.665 3.412 -12.808 1.00 0.00 N ATOM 0 H ARG A 13 2.280 1.795 -5.337 1.00 0.00 H new ATOM 0 HA ARG A 13 0.216 3.789 -6.020 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.270 1.258 -7.245 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.421 1.640 -7.500 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.219 3.850 -8.440 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.911 3.469 -8.185 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.346 1.303 -9.601 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -0.031 2.242 -10.142 1.00 0.00 H new ATOM 0 HE ARG A 13 2.437 3.762 -10.357 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.473 1.249 -11.867 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.116 1.556 -13.484 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.259 4.152 -12.435 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.688 3.193 -13.804 1.00 0.00 H new ATOM 172 N VAL A 14 -1.778 2.584 -5.066 1.00 0.00 N ATOM 173 CA VAL A 14 -2.875 2.022 -4.285 1.00 0.00 C ATOM 174 C VAL A 14 -4.126 1.855 -5.139 1.00 0.00 C ATOM 175 O VAL A 14 -4.415 2.681 -6.006 1.00 0.00 O ATOM 176 CB VAL A 14 -3.209 2.907 -3.070 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.068 2.144 -2.074 1.00 0.00 C ATOM 178 CG2 VAL A 14 -1.934 3.411 -2.411 1.00 0.00 C ATOM 0 H VAL A 14 -2.032 3.400 -5.623 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.546 1.044 -3.933 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.777 3.770 -3.417 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.294 2.785 -1.222 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -4.997 1.838 -2.554 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.529 1.261 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.189 4.035 -1.554 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.337 2.562 -2.077 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.361 3.998 -3.129 1.00 0.00 H new ATOM 188 N SER A 15 -4.869 0.781 -4.888 1.00 0.00 N ATOM 189 CA SER A 15 -6.089 0.503 -5.636 1.00 0.00 C ATOM 190 C SER A 15 -7.178 -0.039 -4.715 1.00 0.00 C ATOM 191 O SER A 15 -6.892 -0.721 -3.733 1.00 0.00 O ATOM 192 CB SER A 15 -5.808 -0.497 -6.757 1.00 0.00 C ATOM 193 OG SER A 15 -5.306 0.155 -7.910 1.00 0.00 O ATOM 0 H SER A 15 -4.647 0.089 -4.172 1.00 0.00 H new ATOM 0 HA SER A 15 -6.439 1.438 -6.073 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.088 -1.240 -6.413 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.723 -1.033 -7.008 1.00 0.00 H new ATOM 0 HG SER A 15 -4.425 -0.210 -8.134 1.00 0.00 H new ATOM 199 N ASN A 16 -8.428 0.270 -5.043 1.00 0.00 N ATOM 200 CA ASN A 16 -9.562 -0.186 -4.246 1.00 0.00 C ATOM 201 C ASN A 16 -9.835 -1.668 -4.484 1.00 0.00 C ATOM 202 O ASN A 16 -9.173 -2.307 -5.302 1.00 0.00 O ATOM 203 CB ASN A 16 -10.810 0.634 -4.581 1.00 0.00 C ATOM 204 CG ASN A 16 -11.342 0.336 -5.968 1.00 0.00 C ATOM 205 OD1 ASN A 16 -10.925 -0.627 -6.611 1.00 0.00 O ATOM 206 ND2 ASN A 16 -12.269 1.163 -6.436 1.00 0.00 N ATOM 0 H ASN A 16 -8.682 0.834 -5.854 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.314 -0.045 -3.194 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.586 0.426 -3.845 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.575 1.696 -4.505 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -12.665 1.013 -7.364 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -12.585 1.949 -5.868 1.00 0.00 H new ATOM 213 N HIS A 17 -10.813 -2.208 -3.764 1.00 0.00 N ATOM 214 CA HIS A 17 -11.175 -3.614 -3.899 1.00 0.00 C ATOM 215 C HIS A 17 -11.564 -3.940 -5.337 1.00 0.00 C ATOM 216 O HIS A 17 -11.212 -4.997 -5.863 1.00 0.00 O ATOM 217 CB HIS A 17 -12.327 -3.959 -2.955 1.00 0.00 C ATOM 218 CG HIS A 17 -13.648 -3.407 -3.397 1.00 0.00 C ATOM 219 ND1 HIS A 17 -14.499 -4.081 -4.247 1.00 0.00 N ATOM 220 CD2 HIS A 17 -14.263 -2.239 -3.099 1.00 0.00 C ATOM 221 CE1 HIS A 17 -15.580 -3.350 -4.454 1.00 0.00 C ATOM 222 NE2 HIS A 17 -15.461 -2.227 -3.769 1.00 0.00 N ATOM 0 H HIS A 17 -11.369 -1.693 -3.081 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.305 -4.214 -3.633 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.405 -5.043 -2.871 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.097 -3.578 -1.960 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.882 -1.461 -2.454 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.418 -3.624 -5.077 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.148 -1.473 -3.742 1.00 0.00 H new ATOM 231 N ASP A 18 -12.294 -3.027 -5.969 1.00 0.00 N ATOM 232 CA ASP A 18 -12.731 -3.217 -7.347 1.00 0.00 C ATOM 233 C ASP A 18 -11.617 -2.858 -8.326 1.00 0.00 C ATOM 234 O ASP A 18 -11.856 -2.701 -9.522 1.00 0.00 O ATOM 235 CB ASP A 18 -13.971 -2.368 -7.632 1.00 0.00 C ATOM 236 CG ASP A 18 -14.382 -2.416 -9.091 1.00 0.00 C ATOM 237 OD1 ASP A 18 -14.304 -3.506 -9.694 1.00 0.00 O ATOM 238 OD2 ASP A 18 -14.781 -1.362 -9.630 1.00 0.00 O ATOM 0 H ASP A 18 -12.595 -2.148 -5.549 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.981 -4.269 -7.481 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.797 -2.717 -7.013 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.774 -1.335 -7.347 1.00 0.00 H new ATOM 243 N ARG A 19 -10.401 -2.728 -7.807 1.00 0.00 N ATOM 244 CA ARG A 19 -9.250 -2.385 -8.635 1.00 0.00 C ATOM 245 C ARG A 19 -9.643 -1.397 -9.730 1.00 0.00 C ATOM 246 O ARG A 19 -9.252 -1.551 -10.887 1.00 0.00 O ATOM 247 CB ARG A 19 -8.651 -3.646 -9.261 1.00 0.00 C ATOM 248 CG ARG A 19 -7.576 -4.298 -8.407 1.00 0.00 C ATOM 249 CD ARG A 19 -6.866 -5.411 -9.161 1.00 0.00 C ATOM 250 NE ARG A 19 -6.200 -4.920 -10.364 1.00 0.00 N ATOM 251 CZ ARG A 19 -5.172 -5.534 -10.938 1.00 0.00 C ATOM 252 NH1 ARG A 19 -4.696 -6.659 -10.423 1.00 0.00 N ATOM 253 NH2 ARG A 19 -4.619 -5.025 -12.032 1.00 0.00 N ATOM 0 H ARG A 19 -10.187 -2.855 -6.818 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.502 -1.915 -7.997 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.449 -4.367 -9.439 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.227 -3.393 -10.233 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -6.850 -3.546 -8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.025 -4.701 -7.499 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.132 -5.881 -8.507 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.588 -6.181 -9.435 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.543 -4.058 -10.787 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.120 -7.055 -9.584 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -3.906 -7.129 -10.866 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.984 -4.161 -12.433 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.829 -5.498 -12.472 1.00 0.00 H new ATOM 267 N SER A 20 -10.420 -0.386 -9.355 1.00 0.00 N ATOM 268 CA SER A 20 -10.869 0.625 -10.306 1.00 0.00 C ATOM 269 C SER A 20 -10.221 1.975 -10.012 1.00 0.00 C ATOM 270 O SER A 20 -9.908 2.737 -10.926 1.00 0.00 O ATOM 271 CB SER A 20 -12.392 0.756 -10.260 1.00 0.00 C ATOM 272 OG SER A 20 -12.851 1.706 -11.206 1.00 0.00 O ATOM 0 H SER A 20 -10.752 -0.245 -8.401 1.00 0.00 H new ATOM 0 HA SER A 20 -10.568 0.308 -11.305 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.850 -0.213 -10.461 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.704 1.054 -9.259 1.00 0.00 H new ATOM 0 HG SER A 20 -13.828 1.770 -11.158 1.00 0.00 H new ATOM 278 N SER A 21 -10.025 2.262 -8.729 1.00 0.00 N ATOM 279 CA SER A 21 -9.418 3.521 -8.313 1.00 0.00 C ATOM 280 C SER A 21 -7.899 3.400 -8.260 1.00 0.00 C ATOM 281 O SER A 21 -7.360 2.349 -7.916 1.00 0.00 O ATOM 282 CB SER A 21 -9.955 3.942 -6.944 1.00 0.00 C ATOM 283 OG SER A 21 -11.202 4.604 -7.066 1.00 0.00 O ATOM 0 H SER A 21 -10.277 1.641 -7.961 1.00 0.00 H new ATOM 0 HA SER A 21 -9.679 4.282 -9.048 1.00 0.00 H new ATOM 0 HB2 SER A 21 -10.067 3.064 -6.308 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.237 4.600 -6.455 1.00 0.00 H new ATOM 0 HG SER A 21 -11.524 4.861 -6.177 1.00 0.00 H new ATOM 289 N ARG A 22 -7.213 4.486 -8.605 1.00 0.00 N ATOM 290 CA ARG A 22 -5.755 4.502 -8.598 1.00 0.00 C ATOM 291 C ARG A 22 -5.228 5.711 -7.829 1.00 0.00 C ATOM 292 O ARG A 22 -5.418 6.854 -8.243 1.00 0.00 O ATOM 293 CB ARG A 22 -5.218 4.523 -10.030 1.00 0.00 C ATOM 294 CG ARG A 22 -5.577 3.284 -10.833 1.00 0.00 C ATOM 295 CD ARG A 22 -5.704 3.598 -12.316 1.00 0.00 C ATOM 296 NE ARG A 22 -5.984 2.402 -13.107 1.00 0.00 N ATOM 297 CZ ARG A 22 -5.909 2.365 -14.432 1.00 0.00 C ATOM 298 NH1 ARG A 22 -5.564 3.450 -15.112 1.00 0.00 N ATOM 299 NH2 ARG A 22 -6.179 1.239 -15.081 1.00 0.00 N ATOM 0 H ARG A 22 -7.643 5.365 -8.892 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.409 3.596 -8.100 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.607 5.403 -10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -4.133 4.625 -10.001 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.814 2.520 -10.686 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.516 2.871 -10.466 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -6.501 4.326 -12.465 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.781 4.058 -12.669 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.251 1.550 -12.615 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.355 4.317 -14.617 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.508 3.417 -16.130 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -6.444 0.402 -14.562 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.121 1.211 -16.099 1.00 0.00 H new ATOM 313 N ARG A 23 -4.567 5.447 -6.706 1.00 0.00 N ATOM 314 CA ARG A 23 -4.015 6.513 -5.878 1.00 0.00 C ATOM 315 C ARG A 23 -2.570 6.207 -5.491 1.00 0.00 C ATOM 316 O ARG A 23 -2.287 5.186 -4.867 1.00 0.00 O ATOM 317 CB ARG A 23 -4.862 6.701 -4.618 1.00 0.00 C ATOM 318 CG ARG A 23 -4.882 8.131 -4.105 1.00 0.00 C ATOM 319 CD ARG A 23 -3.563 8.503 -3.444 1.00 0.00 C ATOM 320 NE ARG A 23 -2.619 9.084 -4.395 1.00 0.00 N ATOM 321 CZ ARG A 23 -2.732 10.313 -4.884 1.00 0.00 C ATOM 322 NH1 ARG A 23 -3.743 11.088 -4.514 1.00 0.00 N ATOM 323 NH2 ARG A 23 -1.832 10.771 -5.746 1.00 0.00 N ATOM 0 H ARG A 23 -4.401 4.506 -6.349 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.031 7.435 -6.459 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.884 6.385 -4.827 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.480 6.048 -3.833 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.081 8.813 -4.932 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.696 8.251 -3.390 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.749 9.213 -2.638 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.121 7.615 -2.991 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.830 8.514 -4.700 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.436 10.740 -3.852 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -3.827 12.032 -4.892 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.053 10.178 -6.033 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.920 11.715 -6.121 1.00 0.00 H new ATOM 337 N GLY A 24 -1.660 7.101 -5.867 1.00 0.00 N ATOM 338 CA GLY A 24 -0.257 6.909 -5.551 1.00 0.00 C ATOM 339 C GLY A 24 0.158 7.634 -4.286 1.00 0.00 C ATOM 340 O GLY A 24 0.112 8.864 -4.223 1.00 0.00 O ATOM 0 H GLY A 24 -1.870 7.954 -6.385 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -0.056 5.844 -5.438 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.351 7.261 -6.384 1.00 0.00 H new ATOM 344 N VAL A 25 0.562 6.874 -3.274 1.00 0.00 N ATOM 345 CA VAL A 25 0.986 7.453 -2.004 1.00 0.00 C ATOM 346 C VAL A 25 2.448 7.133 -1.715 1.00 0.00 C ATOM 347 O VAL A 25 2.933 6.050 -2.043 1.00 0.00 O ATOM 348 CB VAL A 25 0.120 6.941 -0.838 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.411 7.731 0.430 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.357 7.018 -1.197 1.00 0.00 C ATOM 0 H VAL A 25 0.605 5.855 -3.308 1.00 0.00 H new ATOM 0 HA VAL A 25 0.864 8.533 -2.091 1.00 0.00 H new ATOM 0 HB VAL A 25 0.371 5.897 -0.653 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.210 7.355 1.243 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.462 7.619 0.695 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.189 8.785 0.261 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.954 6.652 -0.362 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.626 8.053 -1.410 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.550 6.404 -2.077 1.00 0.00 H new ATOM 360 N MET A 26 3.145 8.083 -1.101 1.00 0.00 N ATOM 361 CA MET A 26 4.553 7.901 -0.766 1.00 0.00 C ATOM 362 C MET A 26 4.763 7.941 0.745 1.00 0.00 C ATOM 363 O MET A 26 4.290 8.853 1.422 1.00 0.00 O ATOM 364 CB MET A 26 5.403 8.980 -1.439 1.00 0.00 C ATOM 365 CG MET A 26 5.484 10.273 -0.644 1.00 0.00 C ATOM 366 SD MET A 26 6.634 11.461 -1.364 1.00 0.00 S ATOM 367 CE MET A 26 8.176 10.559 -1.237 1.00 0.00 C ATOM 0 H MET A 26 2.759 8.986 -0.825 1.00 0.00 H new ATOM 0 HA MET A 26 4.864 6.922 -1.132 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.411 8.594 -1.593 1.00 0.00 H new ATOM 0 HB3 MET A 26 4.990 9.194 -2.425 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.493 10.722 -0.586 1.00 0.00 H new ATOM 0 HG3 MET A 26 5.792 10.048 0.377 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.859 11.096 -0.579 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.984 9.567 -0.829 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.625 10.464 -2.226 1.00 0.00 H new ATOM 377 N ALA A 27 5.473 6.946 1.265 1.00 0.00 N ATOM 378 CA ALA A 27 5.746 6.869 2.695 1.00 0.00 C ATOM 379 C ALA A 27 7.119 6.263 2.961 1.00 0.00 C ATOM 380 O ALA A 27 7.664 5.543 2.122 1.00 0.00 O ATOM 381 CB ALA A 27 4.666 6.060 3.396 1.00 0.00 C ATOM 0 H ALA A 27 5.870 6.182 0.718 1.00 0.00 H new ATOM 0 HA ALA A 27 5.742 7.883 3.094 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.883 6.011 4.463 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.698 6.537 3.244 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.642 5.051 2.984 1.00 0.00 H new ATOM 387 N SER A 28 7.676 6.558 4.131 1.00 0.00 N ATOM 388 CA SER A 28 8.989 6.044 4.503 1.00 0.00 C ATOM 389 C SER A 28 8.880 4.630 5.063 1.00 0.00 C ATOM 390 O SER A 28 9.850 3.871 5.059 1.00 0.00 O ATOM 391 CB SER A 28 9.645 6.964 5.535 1.00 0.00 C ATOM 392 OG SER A 28 11.010 6.630 5.720 1.00 0.00 O ATOM 0 H SER A 28 7.239 7.150 4.837 1.00 0.00 H new ATOM 0 HA SER A 28 9.608 6.014 3.606 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.562 8.000 5.208 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.116 6.886 6.485 1.00 0.00 H new ATOM 0 HG SER A 28 11.407 7.233 6.383 1.00 0.00 H new ATOM 398 N SER A 29 7.692 4.281 5.546 1.00 0.00 N ATOM 399 CA SER A 29 7.455 2.958 6.114 1.00 0.00 C ATOM 400 C SER A 29 6.064 2.450 5.748 1.00 0.00 C ATOM 401 O SER A 29 5.311 3.123 5.041 1.00 0.00 O ATOM 402 CB SER A 29 7.612 2.998 7.636 1.00 0.00 C ATOM 403 OG SER A 29 8.710 3.811 8.014 1.00 0.00 O ATOM 0 H SER A 29 6.878 4.896 5.556 1.00 0.00 H new ATOM 0 HA SER A 29 8.194 2.273 5.697 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.698 3.382 8.089 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.756 1.987 8.017 1.00 0.00 H new ATOM 0 HG SER A 29 8.788 3.822 8.991 1.00 0.00 H new ATOM 409 N LEU A 30 5.729 1.260 6.233 1.00 0.00 N ATOM 410 CA LEU A 30 4.427 0.661 5.958 1.00 0.00 C ATOM 411 C LEU A 30 3.332 1.336 6.776 1.00 0.00 C ATOM 412 O LEU A 30 2.362 1.853 6.222 1.00 0.00 O ATOM 413 CB LEU A 30 4.460 -0.837 6.266 1.00 0.00 C ATOM 414 CG LEU A 30 3.106 -1.547 6.288 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.673 -1.917 4.878 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.165 -2.784 7.171 1.00 0.00 C ATOM 0 H LEU A 30 6.340 0.691 6.818 1.00 0.00 H new ATOM 0 HA LEU A 30 4.204 0.805 4.901 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.092 -1.326 5.525 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.938 -0.978 7.236 1.00 0.00 H new ATOM 0 HG LEU A 30 2.367 -0.863 6.705 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.707 -2.421 4.914 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.588 -1.013 4.275 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.413 -2.582 4.433 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.192 -3.276 7.174 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.918 -3.471 6.785 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.427 -2.493 8.188 1.00 0.00 H new ATOM 428 N GLN A 31 3.497 1.331 8.094 1.00 0.00 N ATOM 429 CA GLN A 31 2.522 1.946 8.988 1.00 0.00 C ATOM 430 C GLN A 31 2.142 3.340 8.502 1.00 0.00 C ATOM 431 O GLN A 31 0.966 3.700 8.480 1.00 0.00 O ATOM 432 CB GLN A 31 3.080 2.022 10.410 1.00 0.00 C ATOM 433 CG GLN A 31 2.124 2.660 11.405 1.00 0.00 C ATOM 434 CD GLN A 31 1.114 1.674 11.957 1.00 0.00 C ATOM 435 OE1 GLN A 31 1.479 0.634 12.505 1.00 0.00 O ATOM 436 NE2 GLN A 31 -0.167 1.997 11.815 1.00 0.00 N ATOM 0 H GLN A 31 4.296 0.908 8.567 1.00 0.00 H new ATOM 0 HA GLN A 31 1.626 1.326 8.990 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.326 1.016 10.749 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.010 2.590 10.397 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.695 3.089 12.228 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.597 3.482 10.921 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.425 2.870 11.354 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.892 1.372 12.167 1.00 0.00 H new ATOM 445 N GLU A 32 3.145 4.121 8.115 1.00 0.00 N ATOM 446 CA GLU A 32 2.914 5.477 7.630 1.00 0.00 C ATOM 447 C GLU A 32 1.997 5.471 6.412 1.00 0.00 C ATOM 448 O GLU A 32 1.056 6.261 6.324 1.00 0.00 O ATOM 449 CB GLU A 32 4.243 6.150 7.278 1.00 0.00 C ATOM 450 CG GLU A 32 4.081 7.474 6.552 1.00 0.00 C ATOM 451 CD GLU A 32 5.252 8.412 6.778 1.00 0.00 C ATOM 452 OE1 GLU A 32 6.401 7.925 6.810 1.00 0.00 O ATOM 453 OE2 GLU A 32 5.018 9.629 6.923 1.00 0.00 O ATOM 0 H GLU A 32 4.125 3.839 8.128 1.00 0.00 H new ATOM 0 HA GLU A 32 2.428 6.042 8.426 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.811 6.315 8.194 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.830 5.474 6.656 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.971 7.287 5.484 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.163 7.958 6.887 1.00 0.00 H new ATOM 460 N LEU A 33 2.277 4.574 5.473 1.00 0.00 N ATOM 461 CA LEU A 33 1.478 4.464 4.257 1.00 0.00 C ATOM 462 C LEU A 33 0.029 4.117 4.587 1.00 0.00 C ATOM 463 O LEU A 33 -0.872 4.938 4.410 1.00 0.00 O ATOM 464 CB LEU A 33 2.068 3.401 3.329 1.00 0.00 C ATOM 465 CG LEU A 33 1.211 3.011 2.123 1.00 0.00 C ATOM 466 CD1 LEU A 33 1.057 4.190 1.174 1.00 0.00 C ATOM 467 CD2 LEU A 33 1.820 1.818 1.401 1.00 0.00 C ATOM 0 H LEU A 33 3.051 3.912 5.530 1.00 0.00 H new ATOM 0 HA LEU A 33 1.496 5.430 3.752 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.031 3.760 2.964 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.264 2.503 3.916 1.00 0.00 H new ATOM 0 HG LEU A 33 0.221 2.728 2.480 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.445 3.894 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.576 5.017 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.040 4.505 0.822 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.198 1.554 0.546 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.822 2.074 1.056 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.877 0.970 2.084 1.00 0.00 H new ATOM 479 N ILE A 34 -0.187 2.899 5.070 1.00 0.00 N ATOM 480 CA ILE A 34 -1.526 2.446 5.428 1.00 0.00 C ATOM 481 C ILE A 34 -2.365 3.593 5.981 1.00 0.00 C ATOM 482 O ILE A 34 -3.396 3.951 5.412 1.00 0.00 O ATOM 483 CB ILE A 34 -1.476 1.313 6.470 1.00 0.00 C ATOM 484 CG1 ILE A 34 -0.934 0.031 5.836 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.859 1.075 7.060 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.350 -0.939 6.839 1.00 0.00 C ATOM 0 H ILE A 34 0.547 2.208 5.223 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.987 2.070 4.515 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.804 1.609 7.276 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.738 -0.463 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.167 0.292 5.106 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.808 0.271 7.795 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.210 1.987 7.543 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.551 0.796 6.265 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.015 -1.825 6.319 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.476 -0.463 7.367 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.119 -1.230 7.555 1.00 0.00 H new ATOM 498 N SER A 35 -1.914 4.167 7.092 1.00 0.00 N ATOM 499 CA SER A 35 -2.624 5.274 7.723 1.00 0.00 C ATOM 500 C SER A 35 -2.956 6.359 6.703 1.00 0.00 C ATOM 501 O SER A 35 -4.063 6.897 6.688 1.00 0.00 O ATOM 502 CB SER A 35 -1.785 5.864 8.858 1.00 0.00 C ATOM 503 OG SER A 35 -0.556 6.374 8.372 1.00 0.00 O ATOM 0 H SER A 35 -1.061 3.884 7.574 1.00 0.00 H new ATOM 0 HA SER A 35 -3.557 4.888 8.133 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.343 6.660 9.351 1.00 0.00 H new ATOM 0 HB3 SER A 35 -1.593 5.097 9.609 1.00 0.00 H new ATOM 0 HG SER A 35 -0.318 5.915 7.540 1.00 0.00 H new ATOM 509 N LYS A 36 -1.988 6.675 5.849 1.00 0.00 N ATOM 510 CA LYS A 36 -2.174 7.694 4.823 1.00 0.00 C ATOM 511 C LYS A 36 -3.249 7.273 3.826 1.00 0.00 C ATOM 512 O LYS A 36 -4.193 8.018 3.562 1.00 0.00 O ATOM 513 CB LYS A 36 -0.858 7.957 4.091 1.00 0.00 C ATOM 514 CG LYS A 36 0.164 8.709 4.925 1.00 0.00 C ATOM 515 CD LYS A 36 1.553 8.629 4.313 1.00 0.00 C ATOM 516 CE LYS A 36 1.797 9.767 3.334 1.00 0.00 C ATOM 517 NZ LYS A 36 1.953 11.074 4.030 1.00 0.00 N ATOM 0 H LYS A 36 -1.066 6.239 5.847 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.498 8.612 5.313 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.429 7.005 3.779 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.064 8.526 3.185 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.135 9.753 5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.186 8.297 5.934 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.303 8.661 5.104 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.671 7.675 3.800 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.693 9.558 2.750 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.965 9.827 2.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 2.410 11.755 3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.017 11.433 4.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 2.541 10.947 4.879 1.00 0.00 H new ATOM 531 N THR A 37 -3.100 6.071 3.275 1.00 0.00 N ATOM 532 CA THR A 37 -4.057 5.550 2.308 1.00 0.00 C ATOM 533 C THR A 37 -5.488 5.868 2.724 1.00 0.00 C ATOM 534 O THR A 37 -6.244 6.482 1.968 1.00 0.00 O ATOM 535 CB THR A 37 -3.911 4.026 2.138 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.533 3.683 1.957 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.721 3.534 0.949 1.00 0.00 C ATOM 0 H THR A 37 -2.325 5.441 3.483 1.00 0.00 H new ATOM 0 HA THR A 37 -3.841 6.037 1.357 1.00 0.00 H new ATOM 0 HB THR A 37 -4.290 3.545 3.040 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.449 2.712 1.851 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.602 2.455 0.849 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.774 3.770 1.103 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.368 4.023 0.041 1.00 0.00 H new ATOM 545 N LEU A 38 -5.856 5.450 3.930 1.00 0.00 N ATOM 546 CA LEU A 38 -7.198 5.692 4.447 1.00 0.00 C ATOM 547 C LEU A 38 -7.582 7.161 4.301 1.00 0.00 C ATOM 548 O LEU A 38 -8.733 7.485 4.007 1.00 0.00 O ATOM 549 CB LEU A 38 -7.282 5.276 5.918 1.00 0.00 C ATOM 550 CG LEU A 38 -7.376 3.774 6.185 1.00 0.00 C ATOM 551 CD1 LEU A 38 -6.744 3.430 7.525 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.826 3.315 6.145 1.00 0.00 C ATOM 0 H LEU A 38 -5.244 4.942 4.568 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.898 5.093 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.404 5.663 6.435 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.152 5.759 6.363 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.828 3.250 5.402 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.820 2.357 7.698 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.694 3.723 7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.264 3.964 8.320 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.874 2.243 6.337 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.397 3.846 6.907 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.248 3.527 5.162 1.00 0.00 H new ATOM 564 N ASP A 39 -6.611 8.044 4.503 1.00 0.00 N ATOM 565 CA ASP A 39 -6.846 9.479 4.390 1.00 0.00 C ATOM 566 C ASP A 39 -7.064 9.880 2.934 1.00 0.00 C ATOM 567 O ASP A 39 -8.060 10.522 2.600 1.00 0.00 O ATOM 568 CB ASP A 39 -5.668 10.258 4.977 1.00 0.00 C ATOM 569 CG ASP A 39 -6.038 11.685 5.332 1.00 0.00 C ATOM 570 OD1 ASP A 39 -6.722 11.884 6.357 1.00 0.00 O ATOM 571 OD2 ASP A 39 -5.642 12.604 4.584 1.00 0.00 O ATOM 0 H ASP A 39 -5.653 7.792 4.746 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.747 9.721 4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.306 9.747 5.869 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.848 10.266 4.259 1.00 0.00 H new ATOM 576 N ALA A 40 -6.125 9.500 2.074 1.00 0.00 N ATOM 577 CA ALA A 40 -6.215 9.819 0.655 1.00 0.00 C ATOM 578 C ALA A 40 -7.526 9.315 0.061 1.00 0.00 C ATOM 579 O ALA A 40 -8.312 10.092 -0.484 1.00 0.00 O ATOM 580 CB ALA A 40 -5.032 9.226 -0.095 1.00 0.00 C ATOM 0 H ALA A 40 -5.293 8.971 2.335 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.192 10.904 0.550 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.112 9.472 -1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.105 9.638 0.304 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.030 8.143 0.027 1.00 0.00 H new ATOM 586 N LEU A 41 -7.756 8.011 0.168 1.00 0.00 N ATOM 587 CA LEU A 41 -8.973 7.402 -0.360 1.00 0.00 C ATOM 588 C LEU A 41 -10.205 7.927 0.371 1.00 0.00 C ATOM 589 O LEU A 41 -11.336 7.730 -0.076 1.00 0.00 O ATOM 590 CB LEU A 41 -8.901 5.880 -0.234 1.00 0.00 C ATOM 591 CG LEU A 41 -8.265 5.138 -1.411 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.969 3.695 -1.036 1.00 0.00 C ATOM 593 CD2 LEU A 41 -9.173 5.199 -2.632 1.00 0.00 C ATOM 0 H LEU A 41 -7.116 7.355 0.615 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.057 7.669 -1.413 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.341 5.636 0.669 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.913 5.499 -0.094 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.323 5.627 -1.658 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.517 3.184 -1.886 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.281 3.672 -0.191 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.897 3.193 -0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.705 4.666 -3.460 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.131 4.735 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.334 6.239 -2.914 1.00 0.00 H new ATOM 605 N VAL A 42 -9.978 8.598 1.496 1.00 0.00 N ATOM 606 CA VAL A 42 -11.070 9.154 2.287 1.00 0.00 C ATOM 607 C VAL A 42 -12.096 8.082 2.637 1.00 0.00 C ATOM 608 O VAL A 42 -13.302 8.303 2.518 1.00 0.00 O ATOM 609 CB VAL A 42 -11.776 10.302 1.541 1.00 0.00 C ATOM 610 CG1 VAL A 42 -12.679 11.078 2.487 1.00 0.00 C ATOM 611 CG2 VAL A 42 -10.753 11.222 0.891 1.00 0.00 C ATOM 0 H VAL A 42 -9.049 8.770 1.880 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.630 9.544 3.204 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.398 9.874 0.755 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.169 11.885 1.942 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.433 10.409 2.901 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.083 11.497 3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.269 12.028 0.368 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.104 11.644 1.658 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.153 10.654 0.180 1.00 0.00 H new ATOM 621 N ILE A 43 -11.611 6.924 3.069 1.00 0.00 N ATOM 622 CA ILE A 43 -12.487 5.819 3.437 1.00 0.00 C ATOM 623 C ILE A 43 -13.345 6.177 4.645 1.00 0.00 C ATOM 624 O ILE A 43 -12.869 6.796 5.597 1.00 0.00 O ATOM 625 CB ILE A 43 -11.682 4.544 3.753 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.921 4.074 2.513 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.606 3.448 4.262 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.943 2.954 2.792 1.00 0.00 C ATOM 0 H ILE A 43 -10.616 6.726 3.173 1.00 0.00 H new ATOM 0 HA ILE A 43 -13.132 5.629 2.579 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.957 4.774 4.534 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.637 3.741 1.762 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.381 4.919 2.086 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.023 2.553 4.481 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.106 3.786 5.169 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.351 3.218 3.501 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.440 2.672 1.867 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.204 3.289 3.520 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.480 2.093 3.190 1.00 0.00 H new ATOM 640 N ALA A 44 -14.614 5.783 4.601 1.00 0.00 N ATOM 641 CA ALA A 44 -15.539 6.059 5.693 1.00 0.00 C ATOM 642 C ALA A 44 -15.012 5.504 7.012 1.00 0.00 C ATOM 643 O ALA A 44 -14.832 6.242 7.981 1.00 0.00 O ATOM 644 CB ALA A 44 -16.910 5.479 5.383 1.00 0.00 C ATOM 0 H ALA A 44 -15.025 5.271 3.820 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.630 7.140 5.795 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.590 5.693 6.207 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.296 5.928 4.468 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.827 4.400 5.251 1.00 0.00 H new ATOM 650 N THR A 45 -14.768 4.198 7.042 1.00 0.00 N ATOM 651 CA THR A 45 -14.263 3.543 8.243 1.00 0.00 C ATOM 652 C THR A 45 -12.751 3.359 8.174 1.00 0.00 C ATOM 653 O THR A 45 -12.166 3.343 7.093 1.00 0.00 O ATOM 654 CB THR A 45 -14.928 2.169 8.454 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.428 1.563 9.651 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.665 1.253 7.268 1.00 0.00 C ATOM 0 H THR A 45 -14.912 3.573 6.249 1.00 0.00 H new ATOM 0 HA THR A 45 -14.509 4.191 9.085 1.00 0.00 H new ATOM 0 HB THR A 45 -16.004 2.320 8.545 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.856 0.691 9.780 1.00 0.00 H new ATOM 0 HG21 THR A 45 -15.144 0.289 7.440 1.00 0.00 H new ATOM 0 HG22 THR A 45 -15.071 1.704 6.363 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.591 1.109 7.151 1.00 0.00 H new ATOM 664 N GLY A 46 -12.124 3.217 9.339 1.00 0.00 N ATOM 665 CA GLY A 46 -10.685 3.035 9.389 1.00 0.00 C ATOM 666 C GLY A 46 -10.281 1.578 9.274 1.00 0.00 C ATOM 667 O GLY A 46 -9.251 1.258 8.680 1.00 0.00 O ATOM 0 H GLY A 46 -12.587 3.225 10.248 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.222 3.602 8.582 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.303 3.442 10.325 1.00 0.00 H new ATOM 671 N LEU A 47 -11.093 0.694 9.844 1.00 0.00 N ATOM 672 CA LEU A 47 -10.813 -0.736 9.805 1.00 0.00 C ATOM 673 C LEU A 47 -10.627 -1.215 8.369 1.00 0.00 C ATOM 674 O LEU A 47 -11.594 -1.381 7.626 1.00 0.00 O ATOM 675 CB LEU A 47 -11.948 -1.517 10.470 1.00 0.00 C ATOM 676 CG LEU A 47 -11.607 -2.931 10.937 1.00 0.00 C ATOM 677 CD1 LEU A 47 -11.120 -3.776 9.769 1.00 0.00 C ATOM 678 CD2 LEU A 47 -10.560 -2.891 12.041 1.00 0.00 C ATOM 0 H LEU A 47 -11.950 0.943 10.338 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.887 -0.914 10.352 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.299 -0.947 11.330 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.779 -1.579 9.768 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.512 -3.388 11.338 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.882 -4.780 10.121 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.901 -3.833 9.011 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.228 -3.321 9.338 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.330 -3.907 12.361 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.654 -2.414 11.666 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.945 -2.323 12.887 1.00 0.00 H new ATOM 690 N VAL A 48 -9.374 -1.439 7.983 1.00 0.00 N ATOM 691 CA VAL A 48 -9.059 -1.903 6.637 1.00 0.00 C ATOM 692 C VAL A 48 -7.765 -2.709 6.622 1.00 0.00 C ATOM 693 O VAL A 48 -6.909 -2.547 7.492 1.00 0.00 O ATOM 694 CB VAL A 48 -8.927 -0.724 5.655 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.244 0.030 5.545 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.805 0.208 6.087 1.00 0.00 C ATOM 0 H VAL A 48 -8.561 -1.306 8.584 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.884 -2.541 6.320 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.679 -1.121 4.671 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.131 0.859 4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.021 -0.645 5.185 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.525 0.416 6.525 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.727 1.035 5.381 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.019 0.599 7.082 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.864 -0.341 6.108 1.00 0.00 H new ATOM 706 N THR A 49 -7.629 -3.580 5.627 1.00 0.00 N ATOM 707 CA THR A 49 -6.440 -4.413 5.497 1.00 0.00 C ATOM 708 C THR A 49 -5.727 -4.153 4.175 1.00 0.00 C ATOM 709 O THR A 49 -6.348 -4.163 3.111 1.00 0.00 O ATOM 710 CB THR A 49 -6.791 -5.910 5.593 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.360 -6.199 6.875 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.554 -6.769 5.375 1.00 0.00 C ATOM 0 H THR A 49 -8.328 -3.727 4.899 1.00 0.00 H new ATOM 0 HA THR A 49 -5.777 -4.149 6.321 1.00 0.00 H new ATOM 0 HB THR A 49 -7.518 -6.142 4.814 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.582 -7.152 6.927 1.00 0.00 H new ATOM 0 HG21 THR A 49 -5.825 -7.822 5.447 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.141 -6.568 4.387 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.809 -6.533 6.135 1.00 0.00 H new ATOM 720 N LEU A 50 -4.421 -3.921 4.248 1.00 0.00 N ATOM 721 CA LEU A 50 -3.623 -3.658 3.056 1.00 0.00 C ATOM 722 C LEU A 50 -3.042 -4.952 2.493 1.00 0.00 C ATOM 723 O LEU A 50 -2.674 -5.857 3.242 1.00 0.00 O ATOM 724 CB LEU A 50 -2.494 -2.678 3.381 1.00 0.00 C ATOM 725 CG LEU A 50 -1.854 -1.971 2.185 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.798 -0.920 1.620 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.528 -1.342 2.583 1.00 0.00 C ATOM 0 H LEU A 50 -3.892 -3.910 5.120 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.275 -3.216 2.302 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.883 -1.920 4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.714 -3.218 3.918 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.661 -2.712 1.409 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.327 -0.427 0.770 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.722 -1.398 1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.022 -0.181 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.088 -0.844 1.719 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.695 -0.613 3.376 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.150 -2.117 2.939 1.00 0.00 H new ATOM 739 N VAL A 51 -2.962 -5.031 1.169 1.00 0.00 N ATOM 740 CA VAL A 51 -2.424 -6.214 0.506 1.00 0.00 C ATOM 741 C VAL A 51 -1.782 -5.850 -0.829 1.00 0.00 C ATOM 742 O VAL A 51 -1.857 -4.703 -1.274 1.00 0.00 O ATOM 743 CB VAL A 51 -3.518 -7.270 0.265 1.00 0.00 C ATOM 744 CG1 VAL A 51 -4.355 -7.468 1.520 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.396 -6.870 -0.911 1.00 0.00 C ATOM 0 H VAL A 51 -3.262 -4.291 0.534 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.667 -6.632 1.170 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.036 -8.217 0.024 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.123 -8.218 1.331 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.714 -7.803 2.336 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.828 -6.525 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.164 -7.628 -1.066 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.870 -5.911 -0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.784 -6.784 -1.809 1.00 0.00 H new ATOM 755 N LEU A 52 -1.152 -6.833 -1.463 1.00 0.00 N ATOM 756 CA LEU A 52 -0.497 -6.617 -2.749 1.00 0.00 C ATOM 757 C LEU A 52 -1.498 -6.721 -3.894 1.00 0.00 C ATOM 758 O LEU A 52 -2.330 -7.627 -3.923 1.00 0.00 O ATOM 759 CB LEU A 52 0.629 -7.634 -2.946 1.00 0.00 C ATOM 760 CG LEU A 52 1.722 -7.641 -1.875 1.00 0.00 C ATOM 761 CD1 LEU A 52 2.614 -8.862 -2.032 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.546 -6.363 -1.946 1.00 0.00 C ATOM 0 H LEU A 52 -1.081 -7.787 -1.108 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.075 -5.612 -2.751 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.188 -8.630 -2.993 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.096 -7.446 -3.913 1.00 0.00 H new ATOM 0 HG LEU A 52 1.245 -7.688 -0.896 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.385 -8.850 -1.262 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.014 -9.766 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.083 -8.846 -3.016 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.319 -6.385 -1.177 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.013 -6.285 -2.928 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.897 -5.502 -1.784 1.00 0.00 H new ATOM 774 N GLU A 53 -1.409 -5.790 -4.838 1.00 0.00 N ATOM 775 CA GLU A 53 -2.307 -5.778 -5.987 1.00 0.00 C ATOM 776 C GLU A 53 -1.814 -6.732 -7.071 1.00 0.00 C ATOM 777 O GLU A 53 -2.226 -6.639 -8.227 1.00 0.00 O ATOM 778 CB GLU A 53 -2.428 -4.362 -6.554 1.00 0.00 C ATOM 779 CG GLU A 53 -3.677 -4.147 -7.391 1.00 0.00 C ATOM 780 CD GLU A 53 -4.953 -4.418 -6.616 1.00 0.00 C ATOM 781 OE1 GLU A 53 -5.281 -5.607 -6.414 1.00 0.00 O ATOM 782 OE2 GLU A 53 -5.621 -3.444 -6.214 1.00 0.00 O ATOM 0 H GLU A 53 -0.724 -5.034 -4.830 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.289 -6.112 -5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.426 -3.648 -5.730 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.551 -4.148 -7.164 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.691 -3.121 -7.759 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.641 -4.799 -8.264 1.00 0.00 H new ATOM 789 N GLU A 54 -0.929 -7.648 -6.689 1.00 0.00 N ATOM 790 CA GLU A 54 -0.379 -8.617 -7.629 1.00 0.00 C ATOM 791 C GLU A 54 -0.703 -10.043 -7.192 1.00 0.00 C ATOM 792 O GLU A 54 -1.098 -10.878 -8.006 1.00 0.00 O ATOM 793 CB GLU A 54 1.136 -8.440 -7.750 1.00 0.00 C ATOM 794 CG GLU A 54 1.872 -8.573 -6.428 1.00 0.00 C ATOM 795 CD GLU A 54 3.379 -8.595 -6.597 1.00 0.00 C ATOM 796 OE1 GLU A 54 3.958 -7.525 -6.881 1.00 0.00 O ATOM 797 OE2 GLU A 54 3.978 -9.680 -6.447 1.00 0.00 O ATOM 0 H GLU A 54 -0.578 -7.739 -5.736 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.837 -8.441 -8.603 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.525 -9.181 -8.449 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.346 -7.459 -8.176 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.595 -7.743 -5.778 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.553 -9.488 -5.930 1.00 0.00 H new ATOM 804 N ASP A 55 -0.532 -10.313 -5.903 1.00 0.00 N ATOM 805 CA ASP A 55 -0.806 -11.637 -5.356 1.00 0.00 C ATOM 806 C ASP A 55 -1.807 -11.554 -4.207 1.00 0.00 C ATOM 807 O ASP A 55 -2.336 -12.569 -3.757 1.00 0.00 O ATOM 808 CB ASP A 55 0.490 -12.291 -4.874 1.00 0.00 C ATOM 809 CG ASP A 55 1.205 -13.042 -5.979 1.00 0.00 C ATOM 810 OD1 ASP A 55 0.549 -13.383 -6.986 1.00 0.00 O ATOM 811 OD2 ASP A 55 2.421 -13.290 -5.839 1.00 0.00 O ATOM 0 H ASP A 55 -0.205 -9.633 -5.217 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.239 -12.248 -6.148 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.153 -11.525 -4.472 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.265 -12.978 -4.058 1.00 0.00 H new ATOM 816 N GLY A 56 -2.060 -10.337 -3.736 1.00 0.00 N ATOM 817 CA GLY A 56 -2.996 -10.145 -2.644 1.00 0.00 C ATOM 818 C GLY A 56 -2.443 -10.624 -1.316 1.00 0.00 C ATOM 819 O GLY A 56 -3.180 -11.146 -0.479 1.00 0.00 O ATOM 0 H GLY A 56 -1.634 -9.481 -4.091 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.250 -9.088 -2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -3.920 -10.680 -2.863 1.00 0.00 H new ATOM 823 N THR A 57 -1.140 -10.448 -1.122 1.00 0.00 N ATOM 824 CA THR A 57 -0.487 -10.869 0.112 1.00 0.00 C ATOM 825 C THR A 57 -0.569 -9.781 1.176 1.00 0.00 C ATOM 826 O THR A 57 -0.043 -8.682 0.996 1.00 0.00 O ATOM 827 CB THR A 57 0.991 -11.227 -0.128 1.00 0.00 C ATOM 828 OG1 THR A 57 1.089 -12.292 -1.081 1.00 0.00 O ATOM 829 CG2 THR A 57 1.666 -11.639 1.171 1.00 0.00 C ATOM 0 H THR A 57 -0.516 -10.017 -1.804 1.00 0.00 H new ATOM 0 HA THR A 57 -1.015 -11.756 0.462 1.00 0.00 H new ATOM 0 HB THR A 57 1.497 -10.344 -0.518 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.032 -12.512 -1.229 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.709 -11.887 0.976 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.616 -10.816 1.884 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.157 -12.509 1.585 1.00 0.00 H new ATOM 837 N VAL A 58 -1.231 -10.092 2.285 1.00 0.00 N ATOM 838 CA VAL A 58 -1.379 -9.141 3.381 1.00 0.00 C ATOM 839 C VAL A 58 -0.021 -8.666 3.885 1.00 0.00 C ATOM 840 O VAL A 58 0.722 -9.427 4.505 1.00 0.00 O ATOM 841 CB VAL A 58 -2.165 -9.754 4.555 1.00 0.00 C ATOM 842 CG1 VAL A 58 -2.295 -8.753 5.692 1.00 0.00 C ATOM 843 CG2 VAL A 58 -3.535 -10.227 4.090 1.00 0.00 C ATOM 0 H VAL A 58 -1.674 -10.996 2.449 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.935 -8.290 2.987 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.614 -10.618 4.926 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.853 -9.204 6.512 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.303 -8.469 6.042 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.823 -7.867 5.338 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.077 -10.657 4.932 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.096 -9.382 3.692 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.415 -10.981 3.312 1.00 0.00 H new ATOM 853 N VAL A 59 0.297 -7.405 3.613 1.00 0.00 N ATOM 854 CA VAL A 59 1.566 -6.827 4.041 1.00 0.00 C ATOM 855 C VAL A 59 1.406 -6.055 5.346 1.00 0.00 C ATOM 856 O VAL A 59 1.209 -4.840 5.340 1.00 0.00 O ATOM 857 CB VAL A 59 2.144 -5.886 2.968 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.469 -5.298 3.430 1.00 0.00 C ATOM 859 CG2 VAL A 59 2.310 -6.623 1.648 1.00 0.00 C ATOM 0 H VAL A 59 -0.306 -6.764 3.098 1.00 0.00 H new ATOM 0 HA VAL A 59 2.256 -7.657 4.196 1.00 0.00 H new ATOM 0 HB VAL A 59 1.444 -5.065 2.814 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.862 -4.636 2.659 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.315 -4.733 4.349 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.180 -6.103 3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.720 -5.943 0.901 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.989 -7.465 1.784 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.340 -6.990 1.312 1.00 0.00 H new ATOM 869 N ASP A 60 1.493 -6.769 6.463 1.00 0.00 N ATOM 870 CA ASP A 60 1.360 -6.151 7.777 1.00 0.00 C ATOM 871 C ASP A 60 2.685 -6.186 8.531 1.00 0.00 C ATOM 872 O ASP A 60 2.726 -6.006 9.748 1.00 0.00 O ATOM 873 CB ASP A 60 0.277 -6.861 8.591 1.00 0.00 C ATOM 874 CG ASP A 60 -0.387 -5.942 9.597 1.00 0.00 C ATOM 875 OD1 ASP A 60 -0.615 -4.761 9.260 1.00 0.00 O ATOM 876 OD2 ASP A 60 -0.679 -6.403 10.721 1.00 0.00 O ATOM 0 H ASP A 60 1.655 -7.776 6.485 1.00 0.00 H new ATOM 0 HA ASP A 60 1.072 -5.110 7.634 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.478 -7.261 7.914 1.00 0.00 H new ATOM 0 HB3 ASP A 60 0.718 -7.710 9.114 1.00 0.00 H new ATOM 881 N THR A 61 3.771 -6.422 7.800 1.00 0.00 N ATOM 882 CA THR A 61 5.098 -6.484 8.398 1.00 0.00 C ATOM 883 C THR A 61 6.019 -5.424 7.804 1.00 0.00 C ATOM 884 O THR A 61 6.058 -5.234 6.589 1.00 0.00 O ATOM 885 CB THR A 61 5.738 -7.871 8.204 1.00 0.00 C ATOM 886 OG1 THR A 61 5.299 -8.445 6.968 1.00 0.00 O ATOM 887 CG2 THR A 61 5.378 -8.799 9.356 1.00 0.00 C ATOM 0 H THR A 61 3.756 -6.573 6.791 1.00 0.00 H new ATOM 0 HA THR A 61 4.973 -6.296 9.464 1.00 0.00 H new ATOM 0 HB THR A 61 6.821 -7.747 8.182 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.712 -9.326 6.852 1.00 0.00 H new ATOM 0 HG21 THR A 61 5.841 -9.773 9.197 1.00 0.00 H new ATOM 0 HG22 THR A 61 5.739 -8.374 10.292 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.295 -8.916 9.404 1.00 0.00 H new ATOM 895 N GLU A 62 6.759 -4.738 8.670 1.00 0.00 N ATOM 896 CA GLU A 62 7.681 -3.697 8.228 1.00 0.00 C ATOM 897 C GLU A 62 8.873 -4.302 7.492 1.00 0.00 C ATOM 898 O GLU A 62 9.294 -3.797 6.452 1.00 0.00 O ATOM 899 CB GLU A 62 8.168 -2.876 9.424 1.00 0.00 C ATOM 900 CG GLU A 62 9.434 -3.423 10.061 1.00 0.00 C ATOM 901 CD GLU A 62 9.780 -2.727 11.363 1.00 0.00 C ATOM 902 OE1 GLU A 62 9.174 -3.070 12.399 1.00 0.00 O ATOM 903 OE2 GLU A 62 10.657 -1.837 11.345 1.00 0.00 O ATOM 0 H GLU A 62 6.738 -4.884 9.679 1.00 0.00 H new ATOM 0 HA GLU A 62 7.147 -3.042 7.540 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.347 -1.850 9.101 1.00 0.00 H new ATOM 0 HB3 GLU A 62 7.379 -2.841 10.175 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.311 -4.490 10.245 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.264 -3.313 9.363 1.00 0.00 H new ATOM 910 N GLU A 63 9.411 -5.386 8.041 1.00 0.00 N ATOM 911 CA GLU A 63 10.556 -6.058 7.437 1.00 0.00 C ATOM 912 C GLU A 63 10.275 -6.405 5.976 1.00 0.00 C ATOM 913 O GLU A 63 11.186 -6.432 5.148 1.00 0.00 O ATOM 914 CB GLU A 63 10.897 -7.330 8.217 1.00 0.00 C ATOM 915 CG GLU A 63 9.822 -8.400 8.139 1.00 0.00 C ATOM 916 CD GLU A 63 10.288 -9.737 8.683 1.00 0.00 C ATOM 917 OE1 GLU A 63 10.904 -10.506 7.917 1.00 0.00 O ATOM 918 OE2 GLU A 63 10.036 -10.013 9.875 1.00 0.00 O ATOM 0 H GLU A 63 9.073 -5.817 8.901 1.00 0.00 H new ATOM 0 HA GLU A 63 11.406 -5.377 7.474 1.00 0.00 H new ATOM 0 HB2 GLU A 63 11.833 -7.739 7.836 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.064 -7.071 9.262 1.00 0.00 H new ATOM 0 HG2 GLU A 63 8.946 -8.071 8.697 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.511 -8.523 7.101 1.00 0.00 H new ATOM 925 N PHE A 64 9.010 -6.668 5.670 1.00 0.00 N ATOM 926 CA PHE A 64 8.609 -7.014 4.311 1.00 0.00 C ATOM 927 C PHE A 64 8.405 -5.758 3.468 1.00 0.00 C ATOM 928 O PHE A 64 8.628 -5.767 2.257 1.00 0.00 O ATOM 929 CB PHE A 64 7.322 -7.842 4.331 1.00 0.00 C ATOM 930 CG PHE A 64 6.918 -8.356 2.979 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.870 -8.842 2.096 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.588 -8.352 2.590 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.502 -9.315 0.850 1.00 0.00 C ATOM 934 CE2 PHE A 64 5.215 -8.825 1.347 1.00 0.00 C ATOM 935 CZ PHE A 64 6.172 -9.305 0.476 1.00 0.00 C ATOM 0 H PHE A 64 8.245 -6.648 6.344 1.00 0.00 H new ATOM 0 HA PHE A 64 9.407 -7.606 3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.453 -8.687 5.007 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.514 -7.233 4.735 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.911 -8.851 2.385 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.835 -7.975 3.266 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.252 -9.691 0.171 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.175 -8.819 1.057 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.881 -9.672 -0.497 1.00 0.00 H new ATOM 945 N PHE A 65 7.979 -4.680 4.118 1.00 0.00 N ATOM 946 CA PHE A 65 7.744 -3.416 3.429 1.00 0.00 C ATOM 947 C PHE A 65 9.060 -2.709 3.123 1.00 0.00 C ATOM 948 O PHE A 65 9.167 -1.971 2.145 1.00 0.00 O ATOM 949 CB PHE A 65 6.849 -2.509 4.275 1.00 0.00 C ATOM 950 CG PHE A 65 6.855 -1.074 3.829 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.945 -0.259 4.090 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.773 -0.543 3.147 1.00 0.00 C ATOM 953 CE1 PHE A 65 7.953 1.061 3.680 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.776 0.778 2.734 1.00 0.00 C ATOM 955 CZ PHE A 65 6.868 1.579 3.000 1.00 0.00 C ATOM 0 H PHE A 65 7.790 -4.656 5.120 1.00 0.00 H new ATOM 0 HA PHE A 65 7.242 -3.633 2.486 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.827 -2.887 4.241 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.174 -2.559 5.314 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.797 -0.659 4.619 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.917 -1.167 2.935 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.807 1.687 3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.925 1.181 2.205 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.874 2.610 2.677 1.00 0.00 H new ATOM 965 N GLN A 66 10.060 -2.942 3.968 1.00 0.00 N ATOM 966 CA GLN A 66 11.370 -2.326 3.789 1.00 0.00 C ATOM 967 C GLN A 66 12.113 -2.959 2.617 1.00 0.00 C ATOM 968 O GLN A 66 13.167 -2.476 2.203 1.00 0.00 O ATOM 969 CB GLN A 66 12.199 -2.461 5.067 1.00 0.00 C ATOM 970 CG GLN A 66 11.592 -1.749 6.264 1.00 0.00 C ATOM 971 CD GLN A 66 11.891 -0.262 6.272 1.00 0.00 C ATOM 972 OE1 GLN A 66 12.908 0.181 5.739 1.00 0.00 O ATOM 973 NE2 GLN A 66 11.002 0.517 6.878 1.00 0.00 N ATOM 0 H GLN A 66 9.988 -3.552 4.782 1.00 0.00 H new ATOM 0 HA GLN A 66 11.220 -1.268 3.572 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.315 -3.518 5.305 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.198 -2.063 4.886 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.512 -1.899 6.262 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.974 -2.198 7.181 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.173 0.106 7.307 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.149 1.526 6.915 1.00 0.00 H new ATOM 982 N THR A 67 11.557 -4.043 2.086 1.00 0.00 N ATOM 983 CA THR A 67 12.167 -4.743 0.963 1.00 0.00 C ATOM 984 C THR A 67 11.515 -4.343 -0.356 1.00 0.00 C ATOM 985 O THR A 67 12.169 -4.311 -1.399 1.00 0.00 O ATOM 986 CB THR A 67 12.064 -6.271 1.130 1.00 0.00 C ATOM 987 OG1 THR A 67 10.692 -6.656 1.278 1.00 0.00 O ATOM 988 CG2 THR A 67 12.861 -6.739 2.338 1.00 0.00 C ATOM 0 H THR A 67 10.684 -4.455 2.416 1.00 0.00 H new ATOM 0 HA THR A 67 13.218 -4.456 0.947 1.00 0.00 H new ATOM 0 HB THR A 67 12.479 -6.741 0.238 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.141 -5.857 1.413 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.773 -7.821 2.435 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.909 -6.471 2.208 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.473 -6.261 3.237 1.00 0.00 H new ATOM 996 N LEU A 68 10.224 -4.035 -0.302 1.00 0.00 N ATOM 997 CA LEU A 68 9.483 -3.634 -1.492 1.00 0.00 C ATOM 998 C LEU A 68 10.155 -2.450 -2.179 1.00 0.00 C ATOM 999 O LEU A 68 10.611 -1.515 -1.522 1.00 0.00 O ATOM 1000 CB LEU A 68 8.042 -3.274 -1.124 1.00 0.00 C ATOM 1001 CG LEU A 68 7.250 -4.351 -0.383 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.819 -3.894 -0.147 1.00 0.00 C ATOM 1003 CD2 LEU A 68 7.271 -5.659 -1.160 1.00 0.00 C ATOM 0 H LEU A 68 9.669 -4.055 0.553 1.00 0.00 H new ATOM 0 HA LEU A 68 9.475 -4.476 -2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.059 -2.375 -0.508 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.506 -3.022 -2.039 1.00 0.00 H new ATOM 0 HG LEU A 68 7.721 -4.519 0.585 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.271 -4.674 0.382 1.00 0.00 H new ATOM 0 HD12 LEU A 68 5.822 -2.983 0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.337 -3.697 -1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.702 -6.414 -0.617 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.825 -5.506 -2.143 1.00 0.00 H new ATOM 0 HD23 LEU A 68 8.301 -5.996 -1.278 1.00 0.00 H new ATOM 1015 N GLY A 69 10.211 -2.496 -3.507 1.00 0.00 N ATOM 1016 CA GLY A 69 10.828 -1.420 -4.261 1.00 0.00 C ATOM 1017 C GLY A 69 9.923 -0.210 -4.390 1.00 0.00 C ATOM 1018 O GLY A 69 9.023 -0.011 -3.575 1.00 0.00 O ATOM 0 H GLY A 69 9.840 -3.259 -4.074 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.757 -1.125 -3.773 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.091 -1.781 -5.255 1.00 0.00 H new ATOM 1022 N ASP A 70 10.164 0.600 -5.415 1.00 0.00 N ATOM 1023 CA ASP A 70 9.365 1.797 -5.647 1.00 0.00 C ATOM 1024 C ASP A 70 8.156 1.483 -6.523 1.00 0.00 C ATOM 1025 O ASP A 70 8.112 0.449 -7.189 1.00 0.00 O ATOM 1026 CB ASP A 70 10.216 2.885 -6.303 1.00 0.00 C ATOM 1027 CG ASP A 70 11.332 3.371 -5.399 1.00 0.00 C ATOM 1028 OD1 ASP A 70 11.887 2.545 -4.647 1.00 0.00 O ATOM 1029 OD2 ASP A 70 11.649 4.579 -5.444 1.00 0.00 O ATOM 0 H ASP A 70 10.906 0.449 -6.098 1.00 0.00 H new ATOM 0 HA ASP A 70 9.008 2.158 -4.682 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.644 2.499 -7.228 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.579 3.727 -6.573 1.00 0.00 H new ATOM 1034 N ASN A 71 7.176 2.381 -6.516 1.00 0.00 N ATOM 1035 CA ASN A 71 5.966 2.198 -7.308 1.00 0.00 C ATOM 1036 C ASN A 71 5.350 0.826 -7.051 1.00 0.00 C ATOM 1037 O ASN A 71 5.059 0.078 -7.986 1.00 0.00 O ATOM 1038 CB ASN A 71 6.277 2.359 -8.798 1.00 0.00 C ATOM 1039 CG ASN A 71 6.779 3.749 -9.136 1.00 0.00 C ATOM 1040 OD1 ASN A 71 5.993 4.680 -9.309 1.00 0.00 O ATOM 1041 ND2 ASN A 71 8.096 3.895 -9.232 1.00 0.00 N ATOM 0 H ASN A 71 7.197 3.243 -5.970 1.00 0.00 H new ATOM 0 HA ASN A 71 5.247 2.961 -7.009 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.026 1.624 -9.092 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.379 2.149 -9.379 1.00 0.00 H new ATOM 0 HD21 ASN A 71 8.493 4.807 -9.457 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.710 3.095 -9.080 1.00 0.00 H new ATOM 1048 N THR A 72 5.151 0.501 -5.778 1.00 0.00 N ATOM 1049 CA THR A 72 4.570 -0.780 -5.397 1.00 0.00 C ATOM 1050 C THR A 72 3.048 -0.711 -5.382 1.00 0.00 C ATOM 1051 O THR A 72 2.462 0.157 -4.735 1.00 0.00 O ATOM 1052 CB THR A 72 5.066 -1.232 -4.011 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.495 -1.168 -3.956 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.604 -2.649 -3.706 1.00 0.00 C ATOM 0 H THR A 72 5.384 1.108 -4.992 1.00 0.00 H new ATOM 0 HA THR A 72 4.890 -1.506 -6.144 1.00 0.00 H new ATOM 0 HB THR A 72 4.644 -0.561 -3.263 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.771 -0.276 -3.658 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.967 -2.946 -2.722 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.515 -2.687 -3.718 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.999 -3.331 -4.459 1.00 0.00 H new ATOM 1062 N HIS A 73 2.411 -1.631 -6.100 1.00 0.00 N ATOM 1063 CA HIS A 73 0.955 -1.674 -6.168 1.00 0.00 C ATOM 1064 C HIS A 73 0.370 -2.301 -4.905 1.00 0.00 C ATOM 1065 O HIS A 73 0.853 -3.331 -4.430 1.00 0.00 O ATOM 1066 CB HIS A 73 0.504 -2.462 -7.398 1.00 0.00 C ATOM 1067 CG HIS A 73 -0.812 -2.007 -7.951 1.00 0.00 C ATOM 1068 ND1 HIS A 73 -1.335 -2.484 -9.134 1.00 0.00 N ATOM 1069 CD2 HIS A 73 -1.711 -1.115 -7.476 1.00 0.00 C ATOM 1070 CE1 HIS A 73 -2.499 -1.902 -9.364 1.00 0.00 C ATOM 1071 NE2 HIS A 73 -2.751 -1.067 -8.373 1.00 0.00 N ATOM 0 H HIS A 73 2.880 -2.356 -6.643 1.00 0.00 H new ATOM 0 HA HIS A 73 0.589 -0.650 -6.247 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.265 -2.375 -8.174 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.434 -3.518 -7.137 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -0.893 -3.177 -9.737 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.627 -0.546 -6.562 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.136 -2.079 -10.218 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.670 -1.675 -4.366 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.318 -2.170 -3.157 1.00 0.00 C ATOM 1082 C PHE A 74 -2.832 -2.233 -3.339 1.00 0.00 C ATOM 1083 O PHE A 74 -3.380 -1.644 -4.271 1.00 0.00 O ATOM 1084 CB PHE A 74 -0.973 -1.276 -1.965 1.00 0.00 C ATOM 1085 CG PHE A 74 0.468 -1.359 -1.551 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.043 -2.579 -1.233 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.249 -0.217 -1.480 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.368 -2.658 -0.851 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.576 -0.289 -1.099 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.136 -1.512 -0.785 1.00 0.00 C ATOM 0 H PHE A 74 -1.083 -0.824 -4.747 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.950 -3.178 -2.964 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.212 -0.242 -2.215 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.602 -1.553 -1.119 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.448 -3.479 -1.284 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.816 0.741 -1.725 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.803 -3.615 -0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.174 0.609 -1.047 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.173 -1.572 -0.488 1.00 0.00 H new ATOM 1100 N MET A 75 -3.501 -2.949 -2.442 1.00 0.00 N ATOM 1101 CA MET A 75 -4.951 -3.088 -2.503 1.00 0.00 C ATOM 1102 C MET A 75 -5.569 -2.955 -1.115 1.00 0.00 C ATOM 1103 O MET A 75 -5.122 -3.594 -0.162 1.00 0.00 O ATOM 1104 CB MET A 75 -5.330 -4.439 -3.114 1.00 0.00 C ATOM 1105 CG MET A 75 -6.743 -4.884 -2.776 1.00 0.00 C ATOM 1106 SD MET A 75 -7.281 -6.297 -3.758 1.00 0.00 S ATOM 1107 CE MET A 75 -7.910 -5.475 -5.219 1.00 0.00 C ATOM 0 H MET A 75 -3.062 -3.442 -1.664 1.00 0.00 H new ATOM 0 HA MET A 75 -5.341 -2.289 -3.134 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.226 -4.381 -4.197 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.627 -5.196 -2.766 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.795 -5.141 -1.718 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.430 -4.053 -2.936 1.00 0.00 H new ATOM 0 HE1 MET A 75 -7.580 -6.012 -6.109 1.00 0.00 H new ATOM 0 HE2 MET A 75 -8.999 -5.460 -5.187 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.534 -4.453 -5.252 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.598 -2.120 -1.008 1.00 0.00 N ATOM 1118 CA ILE A 76 -7.277 -1.904 0.264 1.00 0.00 C ATOM 1119 C ILE A 76 -8.567 -2.710 0.342 1.00 0.00 C ATOM 1120 O ILE A 76 -9.409 -2.644 -0.555 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.600 -0.414 0.483 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.730 -0.112 1.978 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.877 -0.036 -0.252 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.419 0.260 2.635 1.00 0.00 C ATOM 0 H ILE A 76 -6.979 -1.582 -1.787 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.596 -2.238 1.047 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.782 0.183 0.081 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.440 0.703 2.115 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.145 -0.985 2.482 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -9.092 1.020 -0.088 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.750 -0.219 -1.319 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.705 -0.638 0.124 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.586 0.461 3.693 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.712 -0.563 2.529 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.012 1.151 2.157 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.721 -3.470 1.421 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.911 -4.288 1.619 1.00 0.00 C ATOM 1138 C LEU A 77 -10.616 -3.920 2.920 1.00 0.00 C ATOM 1139 O LEU A 77 -10.017 -3.957 3.994 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.539 -5.772 1.631 1.00 0.00 C ATOM 1141 CG LEU A 77 -8.746 -6.275 0.423 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.271 -7.702 0.653 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.589 -6.188 -0.840 1.00 0.00 C ATOM 0 H LEU A 77 -8.035 -3.536 2.173 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.593 -4.097 0.791 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -8.958 -5.973 2.531 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.457 -6.356 1.707 1.00 0.00 H new ATOM 0 HG LEU A 77 -7.870 -5.639 0.296 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.709 -8.043 -0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.631 -7.735 1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.132 -8.352 0.806 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.010 -6.550 -1.690 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.483 -6.800 -0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.879 -5.152 -1.013 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.894 -3.565 2.816 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.680 -3.191 3.985 1.00 0.00 C ATOM 1157 C GLU A 78 -13.037 -4.420 4.816 1.00 0.00 C ATOM 1158 O GLU A 78 -12.770 -5.553 4.417 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.956 -2.463 3.557 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.701 -1.093 2.951 1.00 0.00 C ATOM 1161 CD GLU A 78 -13.496 -1.148 1.450 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -14.502 -1.093 0.711 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -12.330 -1.247 1.013 1.00 0.00 O ATOM 0 H GLU A 78 -12.406 -3.529 1.934 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.077 -2.522 4.598 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.489 -3.078 2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.609 -2.352 4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.543 -0.438 3.175 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.821 -0.651 3.418 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.643 -4.186 5.976 1.00 0.00 N ATOM 1171 CA LYS A 79 -14.038 -5.272 6.866 1.00 0.00 C ATOM 1172 C LYS A 79 -15.083 -6.165 6.204 1.00 0.00 C ATOM 1173 O LYS A 79 -16.283 -5.987 6.407 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.589 -4.709 8.177 1.00 0.00 C ATOM 1175 CG LYS A 79 -14.773 -5.758 9.260 1.00 0.00 C ATOM 1176 CD LYS A 79 -15.038 -5.122 10.614 1.00 0.00 C ATOM 1177 CE LYS A 79 -14.735 -6.085 11.752 1.00 0.00 C ATOM 1178 NZ LYS A 79 -15.878 -7.000 12.023 1.00 0.00 N ATOM 0 H LYS A 79 -13.871 -3.254 6.322 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.154 -5.874 7.079 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.913 -3.936 8.543 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.548 -4.228 7.982 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.603 -6.413 8.996 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -13.881 -6.382 9.319 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.427 -4.226 10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.080 -4.806 10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.850 -6.672 11.505 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -14.501 -5.519 12.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.632 -7.640 12.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.716 -6.441 12.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -16.085 -7.558 11.170 1.00 0.00 H new ATOM 1192 N GLY A 80 -14.617 -7.126 5.412 1.00 0.00 N ATOM 1193 CA GLY A 80 -15.526 -8.033 4.734 1.00 0.00 C ATOM 1194 C GLY A 80 -15.279 -8.091 3.240 1.00 0.00 C ATOM 1195 O GLY A 80 -16.221 -8.130 2.450 1.00 0.00 O ATOM 0 H GLY A 80 -13.628 -7.293 5.228 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.419 -9.032 5.156 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.553 -7.718 4.917 1.00 0.00 H new ATOM 1199 N GLN A 81 -14.007 -8.096 2.852 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.639 -8.147 1.442 1.00 0.00 C ATOM 1201 C GLN A 81 -12.338 -8.917 1.247 1.00 0.00 C ATOM 1202 O GLN A 81 -11.507 -8.991 2.152 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.499 -6.732 0.877 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.825 -6.003 0.726 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.805 -4.986 -0.398 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -15.483 -5.151 -1.412 1.00 0.00 O ATOM 1207 NE2 GLN A 81 -14.027 -3.924 -0.223 1.00 0.00 N ATOM 0 H GLN A 81 -13.215 -8.065 3.494 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.432 -8.667 0.904 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.847 -6.152 1.530 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.010 -6.785 -0.096 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.616 -6.730 0.540 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.068 -5.500 1.662 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -13.481 -3.827 0.633 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -13.975 -3.205 -0.945 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.167 -9.489 0.059 1.00 0.00 N ATOM 1217 CA LYS A 82 -10.965 -10.253 -0.257 1.00 0.00 C ATOM 1218 C LYS A 82 -10.256 -9.672 -1.476 1.00 0.00 C ATOM 1219 O LYS A 82 -10.816 -8.843 -2.194 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.321 -11.719 -0.511 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.340 -11.915 -1.619 1.00 0.00 C ATOM 1222 CD LYS A 82 -12.951 -13.306 -1.575 1.00 0.00 C ATOM 1223 CE LYS A 82 -14.073 -13.454 -2.592 1.00 0.00 C ATOM 1224 NZ LYS A 82 -15.358 -12.901 -2.085 1.00 0.00 N ATOM 0 H LYS A 82 -12.846 -9.438 -0.701 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.290 -10.192 0.597 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.413 -12.266 -0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.710 -12.154 0.410 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.128 -11.167 -1.526 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.862 -11.757 -2.586 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.179 -14.050 -1.772 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.336 -13.504 -0.575 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -13.797 -12.943 -3.514 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -14.203 -14.508 -2.838 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -16.097 -13.021 -2.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -15.635 -13.405 -1.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.241 -11.889 -1.874 1.00 0.00 H new ATOM 1238 N TRP A 83 -9.026 -10.113 -1.704 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.241 -9.638 -2.839 1.00 0.00 C ATOM 1240 C TRP A 83 -8.599 -10.405 -4.108 1.00 0.00 C ATOM 1241 O TRP A 83 -8.875 -11.603 -4.062 1.00 0.00 O ATOM 1242 CB TRP A 83 -6.747 -9.780 -2.547 1.00 0.00 C ATOM 1243 CG TRP A 83 -5.891 -9.696 -3.775 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.147 -8.626 -4.184 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.693 -10.722 -4.754 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.498 -8.925 -5.357 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -4.817 -10.205 -5.728 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.170 -12.027 -4.901 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.410 -10.949 -6.832 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -5.766 -12.764 -5.998 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -4.892 -12.225 -6.952 1.00 0.00 C ATOM 0 H TRP A 83 -8.549 -10.799 -1.119 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.475 -8.585 -2.995 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.445 -9.000 -1.848 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.570 -10.736 -2.054 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.079 -7.683 -3.662 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -3.879 -8.296 -5.869 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -6.842 -12.452 -4.170 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.737 -10.534 -7.568 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -6.130 -13.773 -6.122 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.593 -12.827 -7.797 1.00 0.00 H new