USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=18 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= -0.105 USER MOD Set 2.1: A 17 HIS :FLIP no HD1:sc= -3.27! C(o=-9.3!,f=-7.4!) USER MOD Set 2.2: A 81 GLN : amide:sc= -4.1! C(o=-7.4!,f=-10!) USER MOD Single : A 15 SER OG : rot -46:sc= 1.25 USER MOD Single : A 16 ASN : amide:sc= -3.92! C(o=-3.9!,f=-12!) USER MOD Single : A 20 SER OG : rot 75:sc=0.000883 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 MET CE :methyl -128:sc= -1.55 (180deg=-2.44) USER MOD Single : A 31 GLN : amide:sc= -0.0413 K(o=-0.041,f=-1.2!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -156:sc= -0.0756 (180deg=-0.423) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0.0101 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0843 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= -0.0468 USER MOD Single : A 66 GLN : amide:sc= 0.00188 K(o=0.0019,f=-0.89) USER MOD Single : A 67 THR OG1 : rot -12:sc= 0.608 USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 THR OG1 : rot -32:sc= 0.944 USER MOD Single : A 73 HIS : no HE2:sc= -1.08 K(o=-1.1,f=-1.9!) USER MOD Single : A 75 MET CE :methyl -128:sc= -1.65 (180deg=-3.38!) 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 10.777 9.383 2.094 1.00 0.00 N ATOM 81 CA ALA A 9 9.565 8.658 1.735 1.00 0.00 C ATOM 82 C ALA A 9 9.642 8.135 0.306 1.00 0.00 C ATOM 83 O ALA A 9 10.124 8.825 -0.594 1.00 0.00 O ATOM 84 CB ALA A 9 8.345 9.550 1.908 1.00 0.00 C ATOM 0 HA ALA A 9 9.472 7.802 2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.447 8.995 1.636 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.273 9.870 2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.440 10.425 1.265 1.00 0.00 H new ATOM 90 N ARG A 10 9.164 6.912 0.101 1.00 0.00 N ATOM 91 CA ARG A 10 9.181 6.296 -1.220 1.00 0.00 C ATOM 92 C ARG A 10 7.790 6.317 -1.848 1.00 0.00 C ATOM 93 O ARG A 10 6.772 6.217 -1.163 1.00 0.00 O ATOM 94 CB ARG A 10 9.689 4.855 -1.128 1.00 0.00 C ATOM 95 CG ARG A 10 11.122 4.746 -0.634 1.00 0.00 C ATOM 96 CD ARG A 10 11.632 3.316 -0.720 1.00 0.00 C ATOM 97 NE ARG A 10 13.084 3.261 -0.870 1.00 0.00 N ATOM 98 CZ ARG A 10 13.933 3.384 0.145 1.00 0.00 C ATOM 99 NH1 ARG A 10 13.476 3.567 1.376 1.00 0.00 N ATOM 100 NH2 ARG A 10 15.240 3.323 -0.071 1.00 0.00 N ATOM 0 H ARG A 10 8.760 6.328 0.833 1.00 0.00 H new ATOM 0 HA ARG A 10 9.856 6.872 -1.853 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.039 4.291 -0.459 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.616 4.389 -2.111 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.763 5.399 -1.226 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.180 5.093 0.398 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.339 2.772 0.178 1.00 0.00 H new ATOM 0 HD3 ARG A 10 11.161 2.813 -1.565 1.00 0.00 H new ATOM 0 HE ARG A 10 13.467 3.121 -1.805 1.00 0.00 H new ATOM 0 HH11 ARG A 10 12.471 3.614 1.545 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.129 3.661 2.154 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.595 3.182 -1.017 1.00 0.00 H new ATOM 0 HH22 ARG A 10 15.891 3.418 0.709 1.00 0.00 H new ATOM 114 N PRO A 11 7.744 6.450 -3.181 1.00 0.00 N ATOM 115 CA PRO A 11 6.484 6.487 -3.930 1.00 0.00 C ATOM 116 C PRO A 11 5.777 5.136 -3.944 1.00 0.00 C ATOM 117 O PRO A 11 6.421 4.088 -4.001 1.00 0.00 O ATOM 118 CB PRO A 11 6.924 6.874 -5.345 1.00 0.00 C ATOM 119 CG PRO A 11 8.338 6.417 -5.440 1.00 0.00 C ATOM 120 CD PRO A 11 8.918 6.574 -4.061 1.00 0.00 C ATOM 0 HA PRO A 11 5.767 7.178 -3.487 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.301 6.393 -6.099 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.844 7.949 -5.504 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.391 5.380 -5.770 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.892 7.011 -6.166 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.662 5.807 -3.848 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.411 7.539 -3.940 1.00 0.00 H new ATOM 128 N PHE A 12 4.449 5.168 -3.890 1.00 0.00 N ATOM 129 CA PHE A 12 3.655 3.945 -3.894 1.00 0.00 C ATOM 130 C PHE A 12 2.268 4.201 -4.477 1.00 0.00 C ATOM 131 O PHE A 12 1.705 5.284 -4.317 1.00 0.00 O ATOM 132 CB PHE A 12 3.530 3.388 -2.475 1.00 0.00 C ATOM 133 CG PHE A 12 4.853 3.112 -1.820 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.524 1.924 -2.057 1.00 0.00 C ATOM 135 CD2 PHE A 12 5.425 4.042 -0.967 1.00 0.00 C ATOM 136 CE1 PHE A 12 6.743 1.668 -1.457 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.643 3.792 -0.363 1.00 0.00 C ATOM 138 CZ PHE A 12 7.303 2.603 -0.607 1.00 0.00 C ATOM 0 H PHE A 12 3.901 6.027 -3.843 1.00 0.00 H new ATOM 0 HA PHE A 12 4.164 3.212 -4.520 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.972 4.097 -1.863 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.949 2.466 -2.505 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.090 1.189 -2.718 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.913 4.973 -0.772 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.257 0.738 -1.652 1.00 0.00 H new ATOM 0 HE2 PHE A 12 7.078 4.526 0.299 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.254 2.405 -0.135 1.00 0.00 H new ATOM 148 N ARG A 13 1.723 3.195 -5.153 1.00 0.00 N ATOM 149 CA ARG A 13 0.403 3.310 -5.762 1.00 0.00 C ATOM 150 C ARG A 13 -0.604 2.410 -5.051 1.00 0.00 C ATOM 151 O ARG A 13 -0.310 1.256 -4.742 1.00 0.00 O ATOM 152 CB ARG A 13 0.468 2.947 -7.247 1.00 0.00 C ATOM 153 CG ARG A 13 0.879 4.106 -8.140 1.00 0.00 C ATOM 154 CD ARG A 13 1.602 3.620 -9.386 1.00 0.00 C ATOM 155 NE ARG A 13 0.679 3.356 -10.487 1.00 0.00 N ATOM 156 CZ ARG A 13 -0.076 4.291 -11.053 1.00 0.00 C ATOM 157 NH1 ARG A 13 -0.016 5.544 -10.625 1.00 0.00 N ATOM 158 NH2 ARG A 13 -0.892 3.973 -12.051 1.00 0.00 N ATOM 0 H ARG A 13 2.175 2.291 -5.293 1.00 0.00 H new ATOM 0 HA ARG A 13 0.074 4.344 -5.663 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.174 2.128 -7.381 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.508 2.582 -7.566 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -0.005 4.675 -8.429 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.526 4.784 -7.583 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.332 4.368 -9.696 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.156 2.711 -9.152 1.00 0.00 H new ATOM 0 HE ARG A 13 0.610 2.402 -10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.611 5.792 -9.860 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.597 6.260 -11.061 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.940 3.010 -12.384 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.471 4.692 -12.485 1.00 0.00 H new ATOM 172 N VAL A 14 -1.793 2.948 -4.794 1.00 0.00 N ATOM 173 CA VAL A 14 -2.843 2.194 -4.121 1.00 0.00 C ATOM 174 C VAL A 14 -4.087 2.085 -4.994 1.00 0.00 C ATOM 175 O VAL A 14 -4.424 3.012 -5.730 1.00 0.00 O ATOM 176 CB VAL A 14 -3.226 2.844 -2.777 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.233 1.979 -2.034 1.00 0.00 C ATOM 178 CG2 VAL A 14 -1.986 3.083 -1.929 1.00 0.00 C ATOM 0 H VAL A 14 -2.052 3.903 -5.042 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.447 1.196 -3.934 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.691 3.809 -2.978 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.492 2.453 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.132 1.865 -2.640 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.798 0.998 -1.841 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.275 3.542 -0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.490 2.132 -1.734 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.304 3.746 -2.461 1.00 0.00 H new ATOM 188 N SER A 15 -4.767 0.946 -4.906 1.00 0.00 N ATOM 189 CA SER A 15 -5.974 0.714 -5.691 1.00 0.00 C ATOM 190 C SER A 15 -7.023 -0.028 -4.868 1.00 0.00 C ATOM 191 O SER A 15 -6.710 -0.984 -4.160 1.00 0.00 O ATOM 192 CB SER A 15 -5.641 -0.084 -6.953 1.00 0.00 C ATOM 193 OG SER A 15 -4.824 0.669 -7.831 1.00 0.00 O ATOM 0 H SER A 15 -4.503 0.170 -4.299 1.00 0.00 H new ATOM 0 HA SER A 15 -6.382 1.683 -5.979 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.131 -1.008 -6.679 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.562 -0.367 -7.462 1.00 0.00 H new ATOM 0 HG SER A 15 -5.183 1.577 -7.914 1.00 0.00 H new ATOM 199 N ASN A 16 -8.269 0.422 -4.966 1.00 0.00 N ATOM 200 CA ASN A 16 -9.366 -0.198 -4.232 1.00 0.00 C ATOM 201 C ASN A 16 -9.617 -1.619 -4.725 1.00 0.00 C ATOM 202 O ASN A 16 -8.983 -2.080 -5.675 1.00 0.00 O ATOM 203 CB ASN A 16 -10.641 0.636 -4.375 1.00 0.00 C ATOM 204 CG ASN A 16 -11.377 0.348 -5.669 1.00 0.00 C ATOM 205 OD1 ASN A 16 -12.534 -0.074 -5.657 1.00 0.00 O ATOM 206 ND2 ASN A 16 -10.709 0.575 -6.794 1.00 0.00 N ATOM 0 H ASN A 16 -8.545 1.214 -5.547 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.085 -0.242 -3.180 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.301 0.433 -3.532 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.386 1.695 -4.333 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.153 0.399 -7.695 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -9.752 0.925 -6.757 1.00 0.00 H new ATOM 213 N HIS A 17 -10.548 -2.310 -4.075 1.00 0.00 N ATOM 214 CA HIS A 17 -10.884 -3.680 -4.449 1.00 0.00 C ATOM 215 C HIS A 17 -11.315 -3.754 -5.910 1.00 0.00 C ATOM 216 O HIS A 17 -11.136 -4.778 -6.570 1.00 0.00 O ATOM 217 CB HIS A 17 -11.998 -4.218 -3.549 1.00 0.00 C ATOM 218 CG HIS A 17 -13.303 -3.504 -3.719 1.00 0.00 C ATOM 219 ND1 HIS A 17 -13.766 -2.360 -3.164 1.00 0.00 N flip ATOM 220 CD2 HIS A 17 -14.309 -3.963 -4.544 1.00 0.00 C flip ATOM 221 CE1 HIS A 17 -15.029 -2.149 -3.660 1.00 0.00 C flip ATOM 222 NE2 HIS A 17 -15.333 -3.130 -4.490 1.00 0.00 N flip ATOM 0 H HIS A 17 -11.083 -1.944 -3.287 1.00 0.00 H new ATOM 0 HA HIS A 17 -9.993 -4.295 -4.320 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.143 -5.278 -3.759 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.683 -4.139 -2.508 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.266 -4.862 -5.140 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -15.670 -1.316 -3.412 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.210 -3.228 -5.002 1.00 0.00 H new ATOM 231 N ASP A 18 -11.885 -2.663 -6.410 1.00 0.00 N ATOM 232 CA ASP A 18 -12.342 -2.603 -7.793 1.00 0.00 C ATOM 233 C ASP A 18 -11.160 -2.500 -8.751 1.00 0.00 C ATOM 234 O ASP A 18 -11.337 -2.454 -9.970 1.00 0.00 O ATOM 235 CB ASP A 18 -13.281 -1.413 -7.992 1.00 0.00 C ATOM 236 CG ASP A 18 -14.310 -1.662 -9.078 1.00 0.00 C ATOM 237 OD1 ASP A 18 -14.694 -2.834 -9.274 1.00 0.00 O ATOM 238 OD2 ASP A 18 -14.731 -0.686 -9.731 1.00 0.00 O ATOM 0 H ASP A 18 -12.042 -1.807 -5.877 1.00 0.00 H new ATOM 0 HA ASP A 18 -12.884 -3.523 -8.011 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -13.792 -1.197 -7.054 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -12.695 -0.530 -8.247 1.00 0.00 H new ATOM 243 N ARG A 19 -9.953 -2.465 -8.194 1.00 0.00 N ATOM 244 CA ARG A 19 -8.743 -2.365 -8.999 1.00 0.00 C ATOM 245 C ARG A 19 -8.943 -1.402 -10.166 1.00 0.00 C ATOM 246 O ARG A 19 -8.512 -1.672 -11.287 1.00 0.00 O ATOM 247 CB ARG A 19 -8.339 -3.743 -9.525 1.00 0.00 C ATOM 248 CG ARG A 19 -8.207 -4.795 -8.436 1.00 0.00 C ATOM 249 CD ARG A 19 -7.705 -6.117 -8.997 1.00 0.00 C ATOM 250 NE ARG A 19 -8.485 -6.553 -10.153 1.00 0.00 N ATOM 251 CZ ARG A 19 -8.270 -7.694 -10.797 1.00 0.00 C ATOM 252 NH1 ARG A 19 -7.304 -8.511 -10.399 1.00 0.00 N ATOM 253 NH2 ARG A 19 -9.021 -8.022 -11.839 1.00 0.00 N ATOM 0 H ARG A 19 -9.788 -2.504 -7.188 1.00 0.00 H new ATOM 0 HA ARG A 19 -7.946 -1.978 -8.364 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.079 -4.076 -10.253 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.389 -3.657 -10.053 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.520 -4.440 -7.667 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -9.173 -4.946 -7.955 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.658 -6.015 -9.284 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.750 -6.881 -8.221 1.00 0.00 H new ATOM 0 HE ARG A 19 -9.236 -5.947 -10.484 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.725 -8.263 -9.597 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.140 -9.387 -10.895 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -9.766 -7.397 -12.148 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -8.854 -8.899 -12.332 1.00 0.00 H new ATOM 267 N SER A 20 -9.601 -0.280 -9.894 1.00 0.00 N ATOM 268 CA SER A 20 -9.864 0.721 -10.923 1.00 0.00 C ATOM 269 C SER A 20 -9.318 2.083 -10.506 1.00 0.00 C ATOM 270 O SER A 20 -8.967 2.908 -11.350 1.00 0.00 O ATOM 271 CB SER A 20 -11.365 0.822 -11.195 1.00 0.00 C ATOM 272 OG SER A 20 -11.769 -0.109 -12.183 1.00 0.00 O ATOM 0 H SER A 20 -9.962 -0.041 -8.971 1.00 0.00 H new ATOM 0 HA SER A 20 -9.358 0.409 -11.837 1.00 0.00 H new ATOM 0 HB2 SER A 20 -11.918 0.641 -10.273 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.611 1.833 -11.521 1.00 0.00 H new ATOM 0 HG SER A 20 -11.794 -1.008 -11.794 1.00 0.00 H new ATOM 278 N SER A 21 -9.249 2.312 -9.198 1.00 0.00 N ATOM 279 CA SER A 21 -8.750 3.575 -8.668 1.00 0.00 C ATOM 280 C SER A 21 -7.247 3.504 -8.421 1.00 0.00 C ATOM 281 O SER A 21 -6.697 2.431 -8.170 1.00 0.00 O ATOM 282 CB SER A 21 -9.476 3.930 -7.369 1.00 0.00 C ATOM 283 OG SER A 21 -10.868 4.073 -7.586 1.00 0.00 O ATOM 0 H SER A 21 -9.533 1.639 -8.486 1.00 0.00 H new ATOM 0 HA SER A 21 -8.943 4.352 -9.407 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.299 3.153 -6.626 1.00 0.00 H new ATOM 0 HB3 SER A 21 -9.071 4.857 -6.964 1.00 0.00 H new ATOM 0 HG SER A 21 -11.309 4.298 -6.741 1.00 0.00 H new ATOM 289 N ARG A 22 -6.585 4.655 -8.494 1.00 0.00 N ATOM 290 CA ARG A 22 -5.145 4.724 -8.280 1.00 0.00 C ATOM 291 C ARG A 22 -4.775 5.968 -7.477 1.00 0.00 C ATOM 292 O ARG A 22 -4.952 7.094 -7.941 1.00 0.00 O ATOM 293 CB ARG A 22 -4.409 4.732 -9.621 1.00 0.00 C ATOM 294 CG ARG A 22 -4.518 3.421 -10.382 1.00 0.00 C ATOM 295 CD ARG A 22 -4.328 3.628 -11.877 1.00 0.00 C ATOM 296 NE ARG A 22 -5.548 4.102 -12.523 1.00 0.00 N ATOM 297 CZ ARG A 22 -5.609 4.473 -13.797 1.00 0.00 C ATOM 298 NH1 ARG A 22 -4.524 4.425 -14.557 1.00 0.00 N ATOM 299 NH2 ARG A 22 -6.756 4.892 -14.314 1.00 0.00 N ATOM 0 H ARG A 22 -7.024 5.552 -8.700 1.00 0.00 H new ATOM 0 HA ARG A 22 -4.844 3.843 -7.713 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.807 5.536 -10.240 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.356 4.955 -9.447 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.769 2.721 -10.012 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.493 2.971 -10.197 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.526 4.347 -12.044 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.016 2.690 -12.336 1.00 0.00 H new ATOM 0 HE ARG A 22 -6.401 4.151 -11.965 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.640 4.103 -14.164 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -4.573 4.710 -15.535 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -7.594 4.930 -13.733 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -6.801 5.176 -15.293 1.00 0.00 H new ATOM 313 N ARG A 23 -4.260 5.755 -6.270 1.00 0.00 N ATOM 314 CA ARG A 23 -3.865 6.858 -5.402 1.00 0.00 C ATOM 315 C ARG A 23 -2.384 6.769 -5.049 1.00 0.00 C ATOM 316 O ARG A 23 -1.929 5.780 -4.478 1.00 0.00 O ATOM 317 CB ARG A 23 -4.706 6.855 -4.124 1.00 0.00 C ATOM 318 CG ARG A 23 -4.966 8.243 -3.562 1.00 0.00 C ATOM 319 CD ARG A 23 -3.738 8.798 -2.859 1.00 0.00 C ATOM 320 NE ARG A 23 -2.887 9.564 -3.766 1.00 0.00 N ATOM 321 CZ ARG A 23 -3.271 10.687 -4.361 1.00 0.00 C ATOM 322 NH1 ARG A 23 -4.486 11.174 -4.145 1.00 0.00 N ATOM 323 NH2 ARG A 23 -2.440 11.327 -5.173 1.00 0.00 N ATOM 0 H ARG A 23 -4.107 4.829 -5.871 1.00 0.00 H new ATOM 0 HA ARG A 23 -4.037 7.790 -5.940 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.661 6.371 -4.329 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.200 6.255 -3.368 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.259 8.914 -4.369 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.800 8.203 -2.862 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -4.051 9.435 -2.031 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -3.164 7.977 -2.430 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.946 9.217 -3.952 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -5.128 10.685 -3.520 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.778 12.037 -4.603 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.505 10.956 -5.341 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.736 12.190 -5.629 1.00 0.00 H new ATOM 337 N GLY A 24 -1.635 7.813 -5.394 1.00 0.00 N ATOM 338 CA GLY A 24 -0.213 7.833 -5.106 1.00 0.00 C ATOM 339 C GLY A 24 0.094 8.402 -3.735 1.00 0.00 C ATOM 340 O GLY A 24 -0.254 9.545 -3.439 1.00 0.00 O ATOM 0 H GLY A 24 -1.988 8.645 -5.868 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.182 6.819 -5.172 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.300 8.425 -5.864 1.00 0.00 H new ATOM 344 N VAL A 25 0.745 7.603 -2.896 1.00 0.00 N ATOM 345 CA VAL A 25 1.098 8.034 -1.548 1.00 0.00 C ATOM 346 C VAL A 25 2.585 7.835 -1.280 1.00 0.00 C ATOM 347 O VAL A 25 3.188 6.871 -1.751 1.00 0.00 O ATOM 348 CB VAL A 25 0.288 7.271 -0.485 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.515 7.871 0.893 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.192 7.272 -0.839 1.00 0.00 C ATOM 0 H VAL A 25 1.039 6.654 -3.126 1.00 0.00 H new ATOM 0 HA VAL A 25 0.859 9.095 -1.482 1.00 0.00 H new ATOM 0 HB VAL A 25 0.632 6.237 -0.466 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.066 7.318 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.574 7.811 1.146 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.201 8.915 0.892 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.749 6.728 -0.076 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.553 8.299 -0.889 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.335 6.790 -1.806 1.00 0.00 H new ATOM 360 N MET A 26 3.171 8.753 -0.518 1.00 0.00 N ATOM 361 CA MET A 26 4.589 8.677 -0.184 1.00 0.00 C ATOM 362 C MET A 26 4.782 8.389 1.301 1.00 0.00 C ATOM 363 O MET A 26 4.580 9.262 2.144 1.00 0.00 O ATOM 364 CB MET A 26 5.294 9.982 -0.559 1.00 0.00 C ATOM 365 CG MET A 26 5.441 10.184 -2.059 1.00 0.00 C ATOM 366 SD MET A 26 6.849 11.226 -2.484 1.00 0.00 S ATOM 367 CE MET A 26 8.211 10.127 -2.098 1.00 0.00 C ATOM 0 H MET A 26 2.686 9.558 -0.120 1.00 0.00 H new ATOM 0 HA MET A 26 5.028 7.859 -0.755 1.00 0.00 H new ATOM 0 HB2 MET A 26 4.736 10.820 -0.141 1.00 0.00 H new ATOM 0 HB3 MET A 26 6.283 9.996 -0.100 1.00 0.00 H new ATOM 0 HG2 MET A 26 5.553 9.214 -2.543 1.00 0.00 H new ATOM 0 HG3 MET A 26 4.529 10.634 -2.452 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.915 10.637 -1.440 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.829 9.236 -1.600 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.718 9.839 -3.019 1.00 0.00 H new ATOM 377 N ALA A 27 5.177 7.159 1.614 1.00 0.00 N ATOM 378 CA ALA A 27 5.401 6.757 2.997 1.00 0.00 C ATOM 379 C ALA A 27 6.781 6.133 3.172 1.00 0.00 C ATOM 380 O ALA A 27 7.176 5.254 2.407 1.00 0.00 O ATOM 381 CB ALA A 27 4.319 5.785 3.445 1.00 0.00 C ATOM 0 H ALA A 27 5.348 6.424 0.928 1.00 0.00 H new ATOM 0 HA ALA A 27 5.354 7.650 3.621 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.498 5.493 4.480 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.344 6.265 3.367 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.339 4.900 2.809 1.00 0.00 H new ATOM 387 N SER A 28 7.510 6.595 4.183 1.00 0.00 N ATOM 388 CA SER A 28 8.849 6.085 4.455 1.00 0.00 C ATOM 389 C SER A 28 8.793 4.631 4.916 1.00 0.00 C ATOM 390 O SER A 28 9.791 3.912 4.862 1.00 0.00 O ATOM 391 CB SER A 28 9.538 6.942 5.519 1.00 0.00 C ATOM 392 OG SER A 28 8.901 6.805 6.777 1.00 0.00 O ATOM 0 H SER A 28 7.196 7.321 4.827 1.00 0.00 H new ATOM 0 HA SER A 28 9.424 6.134 3.530 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.584 6.649 5.604 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.524 7.988 5.213 1.00 0.00 H new ATOM 0 HG SER A 28 9.362 7.361 7.439 1.00 0.00 H new ATOM 398 N SER A 29 7.618 4.205 5.369 1.00 0.00 N ATOM 399 CA SER A 29 7.432 2.839 5.843 1.00 0.00 C ATOM 400 C SER A 29 6.013 2.356 5.562 1.00 0.00 C ATOM 401 O SER A 29 5.193 3.089 5.008 1.00 0.00 O ATOM 402 CB SER A 29 7.724 2.753 7.343 1.00 0.00 C ATOM 403 OG SER A 29 8.862 3.525 7.686 1.00 0.00 O ATOM 0 H SER A 29 6.781 4.786 5.418 1.00 0.00 H new ATOM 0 HA SER A 29 8.130 2.196 5.307 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.859 3.104 7.906 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.887 1.713 7.626 1.00 0.00 H new ATOM 0 HG SER A 29 9.027 3.455 8.650 1.00 0.00 H new ATOM 409 N LEU A 30 5.730 1.116 5.947 1.00 0.00 N ATOM 410 CA LEU A 30 4.410 0.532 5.737 1.00 0.00 C ATOM 411 C LEU A 30 3.371 1.196 6.635 1.00 0.00 C ATOM 412 O LEU A 30 2.391 1.762 6.153 1.00 0.00 O ATOM 413 CB LEU A 30 4.448 -0.973 6.007 1.00 0.00 C ATOM 414 CG LEU A 30 3.091 -1.658 6.178 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.543 -2.104 4.830 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.208 -2.843 7.126 1.00 0.00 C ATOM 0 H LEU A 30 6.397 0.496 6.406 1.00 0.00 H new ATOM 0 HA LEU A 30 4.126 0.701 4.698 1.00 0.00 H new ATOM 0 HB2 LEU A 30 4.976 -1.456 5.185 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.036 -1.146 6.908 1.00 0.00 H new ATOM 0 HG LEU A 30 2.395 -0.939 6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.577 -2.589 4.972 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.421 -1.236 4.182 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.237 -2.807 4.369 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.233 -3.318 7.236 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.920 -3.563 6.722 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.555 -2.497 8.100 1.00 0.00 H new ATOM 428 N GLN A 31 3.595 1.124 7.944 1.00 0.00 N ATOM 429 CA GLN A 31 2.680 1.720 8.909 1.00 0.00 C ATOM 430 C GLN A 31 2.247 3.112 8.461 1.00 0.00 C ATOM 431 O GLN A 31 1.065 3.452 8.518 1.00 0.00 O ATOM 432 CB GLN A 31 3.337 1.796 10.288 1.00 0.00 C ATOM 433 CG GLN A 31 2.432 2.376 11.362 1.00 0.00 C ATOM 434 CD GLN A 31 1.422 1.372 11.881 1.00 0.00 C ATOM 435 OE1 GLN A 31 1.685 0.169 11.912 1.00 0.00 O ATOM 436 NE2 GLN A 31 0.259 1.860 12.292 1.00 0.00 N ATOM 0 H GLN A 31 4.402 0.659 8.359 1.00 0.00 H new ATOM 0 HA GLN A 31 1.795 1.087 8.971 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.648 0.796 10.588 1.00 0.00 H new ATOM 0 HB3 GLN A 31 4.239 2.403 10.218 1.00 0.00 H new ATOM 0 HG2 GLN A 31 3.042 2.733 12.192 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.905 3.241 10.959 1.00 0.00 H new ATOM 0 HE21 GLN A 31 0.083 2.864 12.249 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.459 1.231 12.651 1.00 0.00 H new ATOM 445 N GLU A 32 3.211 3.912 8.017 1.00 0.00 N ATOM 446 CA GLU A 32 2.928 5.268 7.561 1.00 0.00 C ATOM 447 C GLU A 32 1.974 5.254 6.370 1.00 0.00 C ATOM 448 O GLU A 32 1.068 6.082 6.276 1.00 0.00 O ATOM 449 CB GLU A 32 4.226 5.983 7.181 1.00 0.00 C ATOM 450 CG GLU A 32 4.018 7.414 6.713 1.00 0.00 C ATOM 451 CD GLU A 32 5.217 8.299 6.993 1.00 0.00 C ATOM 452 OE1 GLU A 32 5.496 8.563 8.181 1.00 0.00 O ATOM 453 OE2 GLU A 32 5.878 8.726 6.023 1.00 0.00 O ATOM 0 H GLU A 32 4.194 3.645 7.963 1.00 0.00 H new ATOM 0 HA GLU A 32 2.451 5.807 8.380 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.895 5.985 8.041 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.723 5.420 6.391 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.812 7.416 5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.140 7.830 7.208 1.00 0.00 H new ATOM 460 N LEU A 33 2.185 4.306 5.462 1.00 0.00 N ATOM 461 CA LEU A 33 1.345 4.183 4.276 1.00 0.00 C ATOM 462 C LEU A 33 -0.098 3.871 4.661 1.00 0.00 C ATOM 463 O LEU A 33 -0.983 4.717 4.526 1.00 0.00 O ATOM 464 CB LEU A 33 1.887 3.089 3.354 1.00 0.00 C ATOM 465 CG LEU A 33 1.074 2.815 2.088 1.00 0.00 C ATOM 466 CD1 LEU A 33 1.157 3.996 1.134 1.00 0.00 C ATOM 467 CD2 LEU A 33 1.558 1.542 1.409 1.00 0.00 C ATOM 0 H LEU A 33 2.930 3.612 5.525 1.00 0.00 H new ATOM 0 HA LEU A 33 1.363 5.136 3.748 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.901 3.359 3.059 1.00 0.00 H new ATOM 0 HB3 LEU A 33 1.957 2.163 3.924 1.00 0.00 H new ATOM 0 HG LEU A 33 0.031 2.677 2.372 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.572 3.783 0.239 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.761 4.887 1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 33 2.197 4.167 0.856 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.968 1.362 0.510 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.608 1.651 1.138 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.444 0.700 2.092 1.00 0.00 H new ATOM 479 N ILE A 34 -0.327 2.654 5.142 1.00 0.00 N ATOM 480 CA ILE A 34 -1.661 2.233 5.549 1.00 0.00 C ATOM 481 C ILE A 34 -2.448 3.396 6.142 1.00 0.00 C ATOM 482 O ILE A 34 -3.519 3.752 5.647 1.00 0.00 O ATOM 483 CB ILE A 34 -1.601 1.091 6.580 1.00 0.00 C ATOM 484 CG1 ILE A 34 -1.078 -0.190 5.925 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.974 0.856 7.192 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.458 -1.161 6.905 1.00 0.00 C ATOM 0 H ILE A 34 0.394 1.942 5.259 1.00 0.00 H new ATOM 0 HA ILE A 34 -2.166 1.876 4.651 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.914 1.377 7.376 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.899 -0.685 5.407 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.337 0.074 5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.915 0.046 7.919 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.311 1.765 7.689 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.681 0.588 6.407 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.110 -2.045 6.371 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.385 -0.684 7.406 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.202 -1.455 7.646 1.00 0.00 H new ATOM 498 N SER A 35 -1.910 3.987 7.204 1.00 0.00 N ATOM 499 CA SER A 35 -2.564 5.110 7.867 1.00 0.00 C ATOM 500 C SER A 35 -2.897 6.212 6.866 1.00 0.00 C ATOM 501 O SER A 35 -3.981 6.795 6.903 1.00 0.00 O ATOM 502 CB SER A 35 -1.668 5.666 8.975 1.00 0.00 C ATOM 503 OG SER A 35 -2.161 6.905 9.455 1.00 0.00 O ATOM 0 H SER A 35 -1.023 3.707 7.624 1.00 0.00 H new ATOM 0 HA SER A 35 -3.494 4.750 8.307 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.612 4.951 9.795 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.654 5.796 8.596 1.00 0.00 H new ATOM 0 HG SER A 35 -1.572 7.239 10.163 1.00 0.00 H new ATOM 509 N LYS A 36 -1.957 6.493 5.970 1.00 0.00 N ATOM 510 CA LYS A 36 -2.149 7.523 4.956 1.00 0.00 C ATOM 511 C LYS A 36 -3.272 7.142 3.999 1.00 0.00 C ATOM 512 O LYS A 36 -4.214 7.909 3.791 1.00 0.00 O ATOM 513 CB LYS A 36 -0.852 7.747 4.175 1.00 0.00 C ATOM 514 CG LYS A 36 0.133 8.663 4.881 1.00 0.00 C ATOM 515 CD LYS A 36 1.342 8.957 4.009 1.00 0.00 C ATOM 516 CE LYS A 36 1.944 10.317 4.333 1.00 0.00 C ATOM 517 NZ LYS A 36 1.038 11.431 3.941 1.00 0.00 N ATOM 0 H LYS A 36 -1.054 6.021 5.925 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.426 8.448 5.462 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.375 6.784 3.996 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.093 8.170 3.200 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.362 9.597 5.145 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.459 8.200 5.813 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.094 8.181 4.153 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.051 8.927 2.959 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.152 10.377 5.401 1.00 0.00 H new ATOM 0 HE3 LYS A 36 2.897 10.425 3.816 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.596 12.295 3.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.540 11.181 3.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.344 11.596 4.697 1.00 0.00 H new ATOM 531 N THR A 37 -3.170 5.951 3.416 1.00 0.00 N ATOM 532 CA THR A 37 -4.177 5.468 2.480 1.00 0.00 C ATOM 533 C THR A 37 -5.579 5.876 2.922 1.00 0.00 C ATOM 534 O THR A 37 -6.307 6.537 2.180 1.00 0.00 O ATOM 535 CB THR A 37 -4.122 3.935 2.338 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.771 3.510 2.128 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.991 3.468 1.180 1.00 0.00 C ATOM 0 H THR A 37 -2.399 5.303 3.576 1.00 0.00 H new ATOM 0 HA THR A 37 -3.956 5.923 1.515 1.00 0.00 H new ATOM 0 HB THR A 37 -4.502 3.493 3.259 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.745 2.534 2.041 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.937 2.382 1.099 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.024 3.767 1.357 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.636 3.919 0.254 1.00 0.00 H new ATOM 545 N LEU A 38 -5.950 5.479 4.134 1.00 0.00 N ATOM 546 CA LEU A 38 -7.266 5.805 4.675 1.00 0.00 C ATOM 547 C LEU A 38 -7.647 7.245 4.349 1.00 0.00 C ATOM 548 O LEU A 38 -8.742 7.511 3.853 1.00 0.00 O ATOM 549 CB LEU A 38 -7.282 5.592 6.190 1.00 0.00 C ATOM 550 CG LEU A 38 -7.431 4.145 6.662 1.00 0.00 C ATOM 551 CD1 LEU A 38 -6.861 3.979 8.062 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.892 3.719 6.626 1.00 0.00 C ATOM 0 H LEU A 38 -5.360 4.932 4.760 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.997 5.142 4.212 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.357 5.995 6.603 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.100 6.177 6.611 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.869 3.503 5.984 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.976 2.943 8.381 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.803 4.242 8.058 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.395 4.633 8.752 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.978 2.687 6.965 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.476 4.366 7.281 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.269 3.799 5.606 1.00 0.00 H new ATOM 564 N ASP A 39 -6.736 8.171 4.629 1.00 0.00 N ATOM 565 CA ASP A 39 -6.976 9.585 4.362 1.00 0.00 C ATOM 566 C ASP A 39 -6.987 9.861 2.862 1.00 0.00 C ATOM 567 O ASP A 39 -7.728 10.719 2.384 1.00 0.00 O ATOM 568 CB ASP A 39 -5.909 10.443 5.043 1.00 0.00 C ATOM 569 CG ASP A 39 -6.346 11.883 5.216 1.00 0.00 C ATOM 570 OD1 ASP A 39 -7.154 12.152 6.130 1.00 0.00 O ATOM 571 OD2 ASP A 39 -5.882 12.742 4.438 1.00 0.00 O ATOM 0 H ASP A 39 -5.825 7.968 5.041 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.954 9.845 4.768 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.674 10.018 6.019 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.993 10.413 4.454 1.00 0.00 H new ATOM 576 N ALA A 40 -6.160 9.127 2.124 1.00 0.00 N ATOM 577 CA ALA A 40 -6.076 9.292 0.678 1.00 0.00 C ATOM 578 C ALA A 40 -7.405 8.959 0.009 1.00 0.00 C ATOM 579 O ALA A 40 -7.966 9.776 -0.723 1.00 0.00 O ATOM 580 CB ALA A 40 -4.965 8.420 0.112 1.00 0.00 C ATOM 0 H ALA A 40 -5.539 8.413 2.504 1.00 0.00 H new ATOM 0 HA ALA A 40 -5.846 10.337 0.469 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -4.913 8.553 -0.969 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.013 8.707 0.559 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.172 7.374 0.340 1.00 0.00 H new ATOM 586 N LEU A 41 -7.905 7.755 0.264 1.00 0.00 N ATOM 587 CA LEU A 41 -9.169 7.312 -0.315 1.00 0.00 C ATOM 588 C LEU A 41 -10.349 7.795 0.523 1.00 0.00 C ATOM 589 O LEU A 41 -11.492 7.404 0.287 1.00 0.00 O ATOM 590 CB LEU A 41 -9.197 5.787 -0.425 1.00 0.00 C ATOM 591 CG LEU A 41 -8.422 5.184 -1.596 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.904 3.800 -1.239 1.00 0.00 C ATOM 593 CD2 LEU A 41 -9.297 5.124 -2.840 1.00 0.00 C ATOM 0 H LEU A 41 -7.454 7.068 0.868 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.254 7.742 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.801 5.369 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.236 5.467 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.566 5.825 -1.808 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.355 3.387 -2.085 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.241 3.871 -0.376 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.744 3.148 -0.999 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.729 4.692 -3.664 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.172 4.506 -2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.617 6.131 -3.109 1.00 0.00 H new ATOM 605 N VAL A 42 -10.064 8.649 1.502 1.00 0.00 N ATOM 606 CA VAL A 42 -11.102 9.188 2.372 1.00 0.00 C ATOM 607 C VAL A 42 -12.155 8.133 2.690 1.00 0.00 C ATOM 608 O VAL A 42 -13.355 8.383 2.570 1.00 0.00 O ATOM 609 CB VAL A 42 -11.791 10.410 1.735 1.00 0.00 C ATOM 610 CG1 VAL A 42 -10.816 11.571 1.617 1.00 0.00 C ATOM 611 CG2 VAL A 42 -12.366 10.047 0.374 1.00 0.00 C ATOM 0 H VAL A 42 -9.123 8.982 1.712 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.612 9.497 3.295 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.612 10.720 2.381 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -11.320 12.425 1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -10.455 11.845 2.608 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -9.972 11.276 0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -12.849 10.922 -0.062 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -11.563 9.711 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -13.098 9.248 0.490 1.00 0.00 H new ATOM 621 N ILE A 43 -11.699 6.954 3.097 1.00 0.00 N ATOM 622 CA ILE A 43 -12.602 5.860 3.434 1.00 0.00 C ATOM 623 C ILE A 43 -13.559 6.262 4.552 1.00 0.00 C ATOM 624 O ILE A 43 -13.281 7.182 5.319 1.00 0.00 O ATOM 625 CB ILE A 43 -11.827 4.602 3.866 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.934 4.109 2.724 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.791 3.508 4.301 1.00 0.00 C ATOM 628 CD1 ILE A 43 -10.083 2.915 3.096 1.00 0.00 C ATOM 0 H ILE A 43 -10.709 6.731 3.202 1.00 0.00 H new ATOM 0 HA ILE A 43 -13.172 5.634 2.533 1.00 0.00 H new ATOM 0 HB ILE A 43 -11.193 4.858 4.714 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.560 3.847 1.871 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.284 4.923 2.404 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -12.227 2.625 4.603 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.388 3.862 5.141 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.449 3.251 3.471 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.476 2.620 2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.431 3.178 3.929 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.727 2.086 3.387 1.00 0.00 H new ATOM 640 N ALA A 44 -14.687 5.565 4.636 1.00 0.00 N ATOM 641 CA ALA A 44 -15.684 5.846 5.662 1.00 0.00 C ATOM 642 C ALA A 44 -15.215 5.363 7.030 1.00 0.00 C ATOM 643 O ALA A 44 -15.177 6.132 7.992 1.00 0.00 O ATOM 644 CB ALA A 44 -17.013 5.200 5.298 1.00 0.00 C ATOM 0 H ALA A 44 -14.934 4.802 4.006 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.821 6.926 5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.748 5.418 6.073 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.362 5.598 4.345 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.882 4.121 5.215 1.00 0.00 H new ATOM 650 N THR A 45 -14.860 4.086 7.112 1.00 0.00 N ATOM 651 CA THR A 45 -14.395 3.499 8.362 1.00 0.00 C ATOM 652 C THR A 45 -12.875 3.538 8.456 1.00 0.00 C ATOM 653 O THR A 45 -12.199 4.019 7.548 1.00 0.00 O ATOM 654 CB THR A 45 -14.871 2.042 8.512 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.601 1.571 9.836 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.183 1.142 7.496 1.00 0.00 C ATOM 0 H THR A 45 -14.886 3.437 6.326 1.00 0.00 H new ATOM 0 HA THR A 45 -14.821 4.096 9.168 1.00 0.00 H new ATOM 0 HB THR A 45 -15.945 2.013 8.331 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.909 0.645 9.923 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.534 0.118 7.620 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.416 1.486 6.488 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.105 1.177 7.650 1.00 0.00 H new ATOM 664 N GLY A 46 -12.341 3.024 9.561 1.00 0.00 N ATOM 665 CA GLY A 46 -10.903 3.009 9.752 1.00 0.00 C ATOM 666 C GLY A 46 -10.324 1.609 9.685 1.00 0.00 C ATOM 667 O GLY A 46 -9.134 1.434 9.421 1.00 0.00 O ATOM 0 H GLY A 46 -12.879 2.618 10.326 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.432 3.631 8.991 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.663 3.452 10.719 1.00 0.00 H new ATOM 671 N LEU A 47 -11.166 0.611 9.927 1.00 0.00 N ATOM 672 CA LEU A 47 -10.730 -0.781 9.894 1.00 0.00 C ATOM 673 C LEU A 47 -10.562 -1.266 8.458 1.00 0.00 C ATOM 674 O LEU A 47 -11.542 -1.490 7.748 1.00 0.00 O ATOM 675 CB LEU A 47 -11.737 -1.667 10.628 1.00 0.00 C ATOM 676 CG LEU A 47 -11.175 -2.941 11.260 1.00 0.00 C ATOM 677 CD1 LEU A 47 -10.681 -3.898 10.186 1.00 0.00 C ATOM 678 CD2 LEU A 47 -10.053 -2.604 12.232 1.00 0.00 C ATOM 0 H LEU A 47 -12.154 0.739 10.148 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.764 -0.845 10.395 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.209 -1.074 11.412 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.522 -1.949 9.926 1.00 0.00 H new ATOM 0 HG LEU A 47 -11.975 -3.431 11.814 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.285 -4.798 10.655 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.508 -4.165 9.529 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.895 -3.417 9.603 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -9.665 -3.522 12.672 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.252 -2.090 11.700 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.437 -1.957 13.021 1.00 0.00 H new ATOM 690 N VAL A 48 -9.311 -1.426 8.036 1.00 0.00 N ATOM 691 CA VAL A 48 -9.014 -1.888 6.685 1.00 0.00 C ATOM 692 C VAL A 48 -7.857 -2.881 6.686 1.00 0.00 C ATOM 693 O VAL A 48 -7.195 -3.079 7.705 1.00 0.00 O ATOM 694 CB VAL A 48 -8.664 -0.712 5.755 1.00 0.00 C ATOM 695 CG1 VAL A 48 -9.930 -0.024 5.266 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.751 0.276 6.465 1.00 0.00 C ATOM 0 H VAL A 48 -8.488 -1.243 8.610 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.913 -2.381 6.314 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.132 -1.103 4.887 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.664 0.805 4.610 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.544 -0.738 4.717 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.491 0.355 6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.514 1.100 5.793 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.253 0.664 7.351 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.830 -0.227 6.761 1.00 0.00 H new ATOM 706 N THR A 49 -7.618 -3.504 5.537 1.00 0.00 N ATOM 707 CA THR A 49 -6.541 -4.478 5.404 1.00 0.00 C ATOM 708 C THR A 49 -5.729 -4.230 4.138 1.00 0.00 C ATOM 709 O THR A 49 -6.275 -4.195 3.035 1.00 0.00 O ATOM 710 CB THR A 49 -7.086 -5.918 5.377 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.764 -6.208 6.605 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.960 -6.919 5.165 1.00 0.00 C ATOM 0 H THR A 49 -8.156 -3.352 4.684 1.00 0.00 H new ATOM 0 HA THR A 49 -5.897 -4.358 6.275 1.00 0.00 H new ATOM 0 HB THR A 49 -7.787 -6.002 4.546 1.00 0.00 H new ATOM 0 HG1 THR A 49 -8.109 -7.125 6.580 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.369 -7.929 5.150 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.464 -6.714 4.216 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.238 -6.832 5.977 1.00 0.00 H new ATOM 720 N LEU A 50 -4.422 -4.059 4.303 1.00 0.00 N ATOM 721 CA LEU A 50 -3.533 -3.815 3.172 1.00 0.00 C ATOM 722 C LEU A 50 -2.986 -5.127 2.617 1.00 0.00 C ATOM 723 O LEU A 50 -2.468 -5.961 3.361 1.00 0.00 O ATOM 724 CB LEU A 50 -2.378 -2.906 3.594 1.00 0.00 C ATOM 725 CG LEU A 50 -1.699 -2.120 2.470 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.659 -1.101 1.876 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.442 -1.434 2.985 1.00 0.00 C ATOM 0 H LEU A 50 -3.954 -4.085 5.209 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.108 -3.322 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.751 -2.197 4.333 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.624 -3.516 4.091 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.412 -2.819 1.684 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.159 -0.552 1.078 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.531 -1.615 1.471 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -2.977 -0.405 2.652 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.029 -0.880 2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.706 -0.747 3.789 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.253 -2.184 3.363 1.00 0.00 H new ATOM 739 N VAL A 51 -3.104 -5.303 1.305 1.00 0.00 N ATOM 740 CA VAL A 51 -2.619 -6.511 0.649 1.00 0.00 C ATOM 741 C VAL A 51 -1.992 -6.189 -0.703 1.00 0.00 C ATOM 742 O VAL A 51 -2.291 -5.158 -1.308 1.00 0.00 O ATOM 743 CB VAL A 51 -3.753 -7.533 0.446 1.00 0.00 C ATOM 744 CG1 VAL A 51 -4.550 -7.708 1.729 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.657 -7.105 -0.700 1.00 0.00 C ATOM 0 H VAL A 51 -3.531 -4.624 0.675 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.862 -6.944 1.303 1.00 0.00 H new ATOM 0 HB VAL A 51 -3.310 -8.495 0.188 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.347 -8.434 1.566 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.891 -8.064 2.521 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.984 -6.752 2.021 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.453 -7.839 -0.829 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.094 -6.132 -0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -4.073 -7.037 -1.618 1.00 0.00 H new ATOM 755 N LEU A 52 -1.121 -7.076 -1.172 1.00 0.00 N ATOM 756 CA LEU A 52 -0.452 -6.887 -2.455 1.00 0.00 C ATOM 757 C LEU A 52 -1.452 -6.946 -3.604 1.00 0.00 C ATOM 758 O LEU A 52 -2.273 -7.860 -3.680 1.00 0.00 O ATOM 759 CB LEU A 52 0.629 -7.951 -2.649 1.00 0.00 C ATOM 760 CG LEU A 52 1.905 -7.770 -1.826 1.00 0.00 C ATOM 761 CD1 LEU A 52 2.809 -8.986 -1.966 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.640 -6.506 -2.251 1.00 0.00 C ATOM 0 H LEU A 52 -0.861 -7.933 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 52 0.013 -5.901 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.200 -8.924 -2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.902 -7.975 -3.704 1.00 0.00 H new ATOM 0 HG LEU A 52 1.626 -7.669 -0.777 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.712 -8.838 -1.373 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.283 -9.873 -1.612 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.080 -9.119 -3.013 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.545 -6.394 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.907 -6.577 -3.305 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.995 -5.641 -2.098 1.00 0.00 H new ATOM 774 N GLU A 53 -1.374 -5.966 -4.500 1.00 0.00 N ATOM 775 CA GLU A 53 -2.272 -5.907 -5.646 1.00 0.00 C ATOM 776 C GLU A 53 -1.805 -6.851 -6.751 1.00 0.00 C ATOM 777 O GLU A 53 -2.267 -6.766 -7.890 1.00 0.00 O ATOM 778 CB GLU A 53 -2.357 -4.477 -6.184 1.00 0.00 C ATOM 779 CG GLU A 53 -3.649 -4.181 -6.928 1.00 0.00 C ATOM 780 CD GLU A 53 -3.607 -4.638 -8.373 1.00 0.00 C ATOM 781 OE1 GLU A 53 -2.507 -4.634 -8.965 1.00 0.00 O ATOM 782 OE2 GLU A 53 -4.674 -4.998 -8.914 1.00 0.00 O ATOM 0 H GLU A 53 -0.698 -5.203 -4.453 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.262 -6.222 -5.316 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.258 -3.779 -5.353 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.514 -4.299 -6.852 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.478 -4.673 -6.419 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.846 -3.109 -6.895 1.00 0.00 H new ATOM 789 N GLU A 54 -0.886 -7.747 -6.407 1.00 0.00 N ATOM 790 CA GLU A 54 -0.356 -8.705 -7.370 1.00 0.00 C ATOM 791 C GLU A 54 -0.697 -10.135 -6.960 1.00 0.00 C ATOM 792 O GLU A 54 -1.122 -10.944 -7.785 1.00 0.00 O ATOM 793 CB GLU A 54 1.160 -8.548 -7.497 1.00 0.00 C ATOM 794 CG GLU A 54 1.894 -8.624 -6.168 1.00 0.00 C ATOM 795 CD GLU A 54 3.402 -8.597 -6.330 1.00 0.00 C ATOM 796 OE1 GLU A 54 3.918 -9.330 -7.199 1.00 0.00 O ATOM 797 OE2 GLU A 54 4.064 -7.842 -5.588 1.00 0.00 O ATOM 0 H GLU A 54 -0.493 -7.830 -5.469 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.818 -8.503 -8.336 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.543 -9.325 -8.159 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.379 -7.590 -7.969 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.585 -7.789 -5.539 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.605 -9.538 -5.649 1.00 0.00 H new ATOM 804 N ASP A 55 -0.510 -10.437 -5.681 1.00 0.00 N ATOM 805 CA ASP A 55 -0.798 -11.769 -5.159 1.00 0.00 C ATOM 806 C ASP A 55 -1.765 -11.693 -3.982 1.00 0.00 C ATOM 807 O ASP A 55 -2.019 -12.692 -3.309 1.00 0.00 O ATOM 808 CB ASP A 55 0.495 -12.463 -4.731 1.00 0.00 C ATOM 809 CG ASP A 55 1.418 -12.742 -5.899 1.00 0.00 C ATOM 810 OD1 ASP A 55 2.136 -11.812 -6.325 1.00 0.00 O ATOM 811 OD2 ASP A 55 1.423 -13.891 -6.390 1.00 0.00 O ATOM 0 H ASP A 55 -0.160 -9.778 -4.985 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.266 -12.351 -5.953 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.014 -11.840 -4.003 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.252 -13.401 -4.232 1.00 0.00 H new ATOM 816 N GLY A 56 -2.300 -10.501 -3.737 1.00 0.00 N ATOM 817 CA GLY A 56 -3.232 -10.319 -2.640 1.00 0.00 C ATOM 818 C GLY A 56 -2.633 -10.699 -1.300 1.00 0.00 C ATOM 819 O GLY A 56 -3.353 -10.881 -0.318 1.00 0.00 O ATOM 0 H GLY A 56 -2.105 -9.659 -4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.553 -9.278 -2.609 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.122 -10.921 -2.820 1.00 0.00 H new ATOM 823 N THR A 57 -1.310 -10.822 -1.259 1.00 0.00 N ATOM 824 CA THR A 57 -0.613 -11.188 -0.032 1.00 0.00 C ATOM 825 C THR A 57 -0.707 -10.074 1.005 1.00 0.00 C ATOM 826 O THR A 57 -0.379 -8.921 0.723 1.00 0.00 O ATOM 827 CB THR A 57 0.871 -11.501 -0.300 1.00 0.00 C ATOM 828 OG1 THR A 57 0.983 -12.625 -1.180 1.00 0.00 O ATOM 829 CG2 THR A 57 1.605 -11.793 1.000 1.00 0.00 C ATOM 0 H THR A 57 -0.699 -10.673 -2.062 1.00 0.00 H new ATOM 0 HA THR A 57 -1.100 -12.083 0.354 1.00 0.00 H new ATOM 0 HB THR A 57 1.326 -10.628 -0.767 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.929 -12.817 -1.347 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.651 -12.011 0.786 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.542 -10.925 1.656 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.148 -12.652 1.491 1.00 0.00 H new ATOM 837 N VAL A 58 -1.156 -10.426 2.206 1.00 0.00 N ATOM 838 CA VAL A 58 -1.290 -9.456 3.286 1.00 0.00 C ATOM 839 C VAL A 58 0.067 -8.896 3.694 1.00 0.00 C ATOM 840 O VAL A 58 1.022 -9.643 3.903 1.00 0.00 O ATOM 841 CB VAL A 58 -1.967 -10.080 4.520 1.00 0.00 C ATOM 842 CG1 VAL A 58 -1.980 -9.094 5.679 1.00 0.00 C ATOM 843 CG2 VAL A 58 -3.379 -10.534 4.180 1.00 0.00 C ATOM 0 H VAL A 58 -1.433 -11.376 2.455 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.915 -8.647 2.908 1.00 0.00 H new ATOM 0 HB VAL A 58 -1.392 -10.954 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.462 -9.553 6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -0.956 -8.823 5.937 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.530 -8.199 5.389 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -3.843 -10.973 5.064 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -3.967 -9.678 3.849 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.340 -11.277 3.384 1.00 0.00 H new ATOM 853 N VAL A 59 0.147 -7.573 3.807 1.00 0.00 N ATOM 854 CA VAL A 59 1.388 -6.911 4.191 1.00 0.00 C ATOM 855 C VAL A 59 1.224 -6.157 5.506 1.00 0.00 C ATOM 856 O VAL A 59 0.689 -5.048 5.534 1.00 0.00 O ATOM 857 CB VAL A 59 1.861 -5.930 3.104 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.294 -5.491 3.367 1.00 0.00 C ATOM 859 CG2 VAL A 59 1.733 -6.560 1.726 1.00 0.00 C ATOM 0 H VAL A 59 -0.634 -6.939 3.638 1.00 0.00 H new ATOM 0 HA VAL A 59 2.138 -7.692 4.315 1.00 0.00 H new ATOM 0 HB VAL A 59 1.224 -5.046 3.135 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.611 -4.798 2.588 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.351 -4.997 4.337 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.948 -6.363 3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.072 -5.852 0.969 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.344 -7.461 1.680 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.691 -6.819 1.540 1.00 0.00 H new ATOM 869 N ASP A 60 1.686 -6.764 6.592 1.00 0.00 N ATOM 870 CA ASP A 60 1.592 -6.149 7.912 1.00 0.00 C ATOM 871 C ASP A 60 2.959 -6.094 8.585 1.00 0.00 C ATOM 872 O ASP A 60 3.058 -5.974 9.807 1.00 0.00 O ATOM 873 CB ASP A 60 0.607 -6.923 8.790 1.00 0.00 C ATOM 874 CG ASP A 60 -0.039 -6.048 9.846 1.00 0.00 C ATOM 875 OD1 ASP A 60 -0.743 -5.087 9.469 1.00 0.00 O ATOM 876 OD2 ASP A 60 0.159 -6.322 11.047 1.00 0.00 O ATOM 0 H ASP A 60 2.130 -7.682 6.586 1.00 0.00 H new ATOM 0 HA ASP A 60 1.229 -5.129 7.785 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.168 -7.361 8.162 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.128 -7.748 9.275 1.00 0.00 H new ATOM 881 N THR A 61 4.013 -6.185 7.780 1.00 0.00 N ATOM 882 CA THR A 61 5.376 -6.147 8.296 1.00 0.00 C ATOM 883 C THR A 61 6.181 -5.030 7.646 1.00 0.00 C ATOM 884 O THR A 61 5.923 -4.651 6.503 1.00 0.00 O ATOM 885 CB THR A 61 6.100 -7.488 8.067 1.00 0.00 C ATOM 886 OG1 THR A 61 5.685 -8.062 6.823 1.00 0.00 O ATOM 887 CG2 THR A 61 5.811 -8.460 9.202 1.00 0.00 C ATOM 0 H THR A 61 3.949 -6.286 6.767 1.00 0.00 H new ATOM 0 HA THR A 61 5.303 -5.960 9.367 1.00 0.00 H new ATOM 0 HB THR A 61 7.173 -7.297 8.038 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.151 -8.913 6.684 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.333 -9.399 9.018 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.155 -8.032 10.144 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.738 -8.646 9.258 1.00 0.00 H new ATOM 895 N GLU A 62 7.158 -4.505 8.379 1.00 0.00 N ATOM 896 CA GLU A 62 8.001 -3.429 7.870 1.00 0.00 C ATOM 897 C GLU A 62 9.149 -3.987 7.033 1.00 0.00 C ATOM 898 O GLU A 62 9.532 -3.402 6.021 1.00 0.00 O ATOM 899 CB GLU A 62 8.557 -2.597 9.028 1.00 0.00 C ATOM 900 CG GLU A 62 9.250 -1.321 8.582 1.00 0.00 C ATOM 901 CD GLU A 62 9.450 -0.337 9.719 1.00 0.00 C ATOM 902 OE1 GLU A 62 10.302 -0.607 10.592 1.00 0.00 O ATOM 903 OE2 GLU A 62 8.758 0.700 9.736 1.00 0.00 O ATOM 0 H GLU A 62 7.385 -4.807 9.326 1.00 0.00 H new ATOM 0 HA GLU A 62 7.388 -2.790 7.234 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.742 -2.340 9.704 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.262 -3.205 9.595 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.218 -1.571 8.148 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.661 -0.848 7.796 1.00 0.00 H new ATOM 910 N GLU A 63 9.691 -5.121 7.464 1.00 0.00 N ATOM 911 CA GLU A 63 10.795 -5.757 6.756 1.00 0.00 C ATOM 912 C GLU A 63 10.371 -6.175 5.351 1.00 0.00 C ATOM 913 O GLU A 63 11.177 -6.171 4.420 1.00 0.00 O ATOM 914 CB GLU A 63 11.297 -6.975 7.533 1.00 0.00 C ATOM 915 CG GLU A 63 11.687 -6.664 8.968 1.00 0.00 C ATOM 916 CD GLU A 63 12.778 -7.579 9.488 1.00 0.00 C ATOM 917 OE1 GLU A 63 12.559 -8.809 9.510 1.00 0.00 O ATOM 918 OE2 GLU A 63 13.850 -7.068 9.872 1.00 0.00 O ATOM 0 H GLU A 63 9.384 -5.618 8.300 1.00 0.00 H new ATOM 0 HA GLU A 63 11.604 -5.031 6.672 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.520 -7.740 7.534 1.00 0.00 H new ATOM 0 HB3 GLU A 63 12.158 -7.396 7.015 1.00 0.00 H new ATOM 0 HG2 GLU A 63 12.024 -5.630 9.033 1.00 0.00 H new ATOM 0 HG3 GLU A 63 10.808 -6.753 9.607 1.00 0.00 H new ATOM 925 N PHE A 64 9.100 -6.536 5.206 1.00 0.00 N ATOM 926 CA PHE A 64 8.568 -6.960 3.916 1.00 0.00 C ATOM 927 C PHE A 64 8.238 -5.754 3.041 1.00 0.00 C ATOM 928 O PHE A 64 8.322 -5.820 1.815 1.00 0.00 O ATOM 929 CB PHE A 64 7.317 -7.818 4.114 1.00 0.00 C ATOM 930 CG PHE A 64 6.738 -8.337 2.829 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.565 -8.734 1.790 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.365 -8.430 2.660 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.035 -9.212 0.607 1.00 0.00 C ATOM 934 CE2 PHE A 64 4.830 -8.908 1.479 1.00 0.00 C ATOM 935 CZ PHE A 64 5.666 -9.298 0.451 1.00 0.00 C ATOM 0 H PHE A 64 8.420 -6.543 5.966 1.00 0.00 H new ATOM 0 HA PHE A 64 9.332 -7.554 3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.563 -8.661 4.760 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.560 -7.229 4.633 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.637 -8.669 1.907 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.707 -8.126 3.460 1.00 0.00 H new ATOM 0 HE1 PHE A 64 7.691 -9.518 -0.195 1.00 0.00 H new ATOM 0 HE2 PHE A 64 3.759 -8.977 1.360 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.249 -9.670 -0.473 1.00 0.00 H new ATOM 945 N PHE A 65 7.863 -4.651 3.682 1.00 0.00 N ATOM 946 CA PHE A 65 7.519 -3.429 2.964 1.00 0.00 C ATOM 947 C PHE A 65 8.776 -2.673 2.545 1.00 0.00 C ATOM 948 O PHE A 65 8.763 -1.921 1.571 1.00 0.00 O ATOM 949 CB PHE A 65 6.636 -2.533 3.834 1.00 0.00 C ATOM 950 CG PHE A 65 6.695 -1.082 3.452 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.847 -0.342 3.666 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.600 -0.457 2.878 1.00 0.00 C ATOM 953 CE1 PHE A 65 7.903 0.994 3.317 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.651 0.879 2.527 1.00 0.00 C ATOM 955 CZ PHE A 65 6.805 1.605 2.745 1.00 0.00 C ATOM 0 H PHE A 65 7.790 -4.579 4.697 1.00 0.00 H new ATOM 0 HA PHE A 65 6.968 -3.707 2.066 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.604 -2.877 3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.939 -2.639 4.876 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.710 -0.815 4.110 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.695 -1.020 2.703 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.806 1.560 3.492 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.789 1.354 2.083 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.849 2.648 2.469 1.00 0.00 H new ATOM 965 N GLN A 66 9.858 -2.877 3.289 1.00 0.00 N ATOM 966 CA GLN A 66 11.122 -2.213 2.995 1.00 0.00 C ATOM 967 C GLN A 66 11.848 -2.905 1.846 1.00 0.00 C ATOM 968 O GLN A 66 12.850 -2.403 1.337 1.00 0.00 O ATOM 969 CB GLN A 66 12.013 -2.195 4.239 1.00 0.00 C ATOM 970 CG GLN A 66 11.490 -1.300 5.350 1.00 0.00 C ATOM 971 CD GLN A 66 11.818 0.163 5.124 1.00 0.00 C ATOM 972 OE1 GLN A 66 12.895 0.502 4.632 1.00 0.00 O ATOM 973 NE2 GLN A 66 10.888 1.041 5.483 1.00 0.00 N ATOM 0 H GLN A 66 9.885 -3.496 4.099 1.00 0.00 H new ATOM 0 HA GLN A 66 10.904 -1.188 2.697 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.112 -3.212 4.619 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.011 -1.862 3.956 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.409 -1.418 5.428 1.00 0.00 H new ATOM 0 HG3 GLN A 66 11.915 -1.621 6.301 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.009 0.717 5.887 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.053 2.039 5.355 1.00 0.00 H new ATOM 982 N THR A 67 11.333 -4.062 1.439 1.00 0.00 N ATOM 983 CA THR A 67 11.932 -4.824 0.351 1.00 0.00 C ATOM 984 C THR A 67 11.257 -4.507 -0.978 1.00 0.00 C ATOM 985 O THR A 67 11.883 -4.577 -2.037 1.00 0.00 O ATOM 986 CB THR A 67 11.842 -6.339 0.610 1.00 0.00 C ATOM 987 OG1 THR A 67 10.477 -6.723 0.810 1.00 0.00 O ATOM 988 CG2 THR A 67 12.667 -6.729 1.828 1.00 0.00 C ATOM 0 H THR A 67 10.502 -4.491 1.847 1.00 0.00 H new ATOM 0 HA THR A 67 12.981 -4.533 0.302 1.00 0.00 H new ATOM 0 HB THR A 67 12.240 -6.858 -0.262 1.00 0.00 H new ATOM 0 HG1 THR A 67 9.927 -5.922 0.936 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.588 -7.804 1.992 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.711 -6.463 1.661 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.294 -6.200 2.705 1.00 0.00 H new ATOM 996 N LEU A 68 9.977 -4.156 -0.917 1.00 0.00 N ATOM 997 CA LEU A 68 9.217 -3.827 -2.118 1.00 0.00 C ATOM 998 C LEU A 68 9.871 -2.679 -2.879 1.00 0.00 C ATOM 999 O LEU A 68 10.320 -1.701 -2.283 1.00 0.00 O ATOM 1000 CB LEU A 68 7.779 -3.455 -1.749 1.00 0.00 C ATOM 1001 CG LEU A 68 6.991 -4.511 -0.973 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.745 -3.899 -0.352 1.00 0.00 C ATOM 1003 CD2 LEU A 68 6.619 -5.673 -1.883 1.00 0.00 C ATOM 0 H LEU A 68 9.444 -4.092 -0.050 1.00 0.00 H new ATOM 0 HA LEU A 68 9.205 -4.706 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.802 -2.540 -1.157 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.237 -3.227 -2.667 1.00 0.00 H new ATOM 0 HG LEU A 68 7.623 -4.891 -0.170 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.197 -4.666 0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.034 -3.101 0.332 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.109 -3.491 -1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.059 -6.415 -1.315 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.006 -5.308 -2.707 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.526 -6.129 -2.280 1.00 0.00 H new ATOM 1015 N GLY A 69 9.919 -2.804 -4.203 1.00 0.00 N ATOM 1016 CA GLY A 69 10.519 -1.769 -5.024 1.00 0.00 C ATOM 1017 C GLY A 69 9.595 -0.585 -5.231 1.00 0.00 C ATOM 1018 O GLY A 69 8.383 -0.751 -5.370 1.00 0.00 O ATOM 0 H GLY A 69 9.553 -3.603 -4.720 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.442 -1.428 -4.556 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.789 -2.189 -5.993 1.00 0.00 H new ATOM 1022 N ASP A 70 10.167 0.614 -5.249 1.00 0.00 N ATOM 1023 CA ASP A 70 9.386 1.831 -5.439 1.00 0.00 C ATOM 1024 C ASP A 70 8.260 1.603 -6.443 1.00 0.00 C ATOM 1025 O ASP A 70 8.348 0.723 -7.299 1.00 0.00 O ATOM 1026 CB ASP A 70 10.288 2.971 -5.916 1.00 0.00 C ATOM 1027 CG ASP A 70 11.414 3.263 -4.945 1.00 0.00 C ATOM 1028 OD1 ASP A 70 11.167 3.965 -3.942 1.00 0.00 O ATOM 1029 OD2 ASP A 70 12.543 2.789 -5.186 1.00 0.00 O ATOM 0 H ASP A 70 11.169 0.769 -5.134 1.00 0.00 H new ATOM 0 HA ASP A 70 8.944 2.104 -4.481 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.708 2.715 -6.889 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.689 3.871 -6.054 1.00 0.00 H new ATOM 1034 N ASN A 71 7.203 2.400 -6.330 1.00 0.00 N ATOM 1035 CA ASN A 71 6.058 2.284 -7.225 1.00 0.00 C ATOM 1036 C ASN A 71 5.390 0.922 -7.079 1.00 0.00 C ATOM 1037 O ASN A 71 5.199 0.202 -8.061 1.00 0.00 O ATOM 1038 CB ASN A 71 6.497 2.498 -8.677 1.00 0.00 C ATOM 1039 CG ASN A 71 6.530 3.964 -9.061 1.00 0.00 C ATOM 1040 OD1 ASN A 71 5.594 4.478 -9.673 1.00 0.00 O ATOM 1041 ND2 ASN A 71 7.613 4.644 -8.703 1.00 0.00 N ATOM 0 H ASN A 71 7.116 3.134 -5.627 1.00 0.00 H new ATOM 0 HA ASN A 71 5.335 3.053 -6.953 1.00 0.00 H new ATOM 0 HB2 ASN A 71 7.487 2.065 -8.822 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.816 1.966 -9.342 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.693 5.634 -8.935 1.00 0.00 H new ATOM 0 HD22 ASN A 71 8.365 4.176 -8.196 1.00 0.00 H new ATOM 1048 N THR A 72 5.033 0.572 -5.847 1.00 0.00 N ATOM 1049 CA THR A 72 4.386 -0.705 -5.572 1.00 0.00 C ATOM 1050 C THR A 72 2.870 -0.551 -5.511 1.00 0.00 C ATOM 1051 O THR A 72 2.354 0.355 -4.857 1.00 0.00 O ATOM 1052 CB THR A 72 4.882 -1.312 -4.247 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.294 -1.110 -4.113 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.570 -2.799 -4.182 1.00 0.00 C ATOM 0 H THR A 72 5.181 1.155 -5.024 1.00 0.00 H new ATOM 0 HA THR A 72 4.648 -1.375 -6.391 1.00 0.00 H new ATOM 0 HB THR A 72 4.364 -0.812 -3.428 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.712 -1.127 -4.999 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.930 -3.205 -3.237 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.493 -2.948 -4.254 1.00 0.00 H new ATOM 0 HG23 THR A 72 5.063 -3.311 -5.008 1.00 0.00 H new ATOM 1062 N HIS A 73 2.162 -1.443 -6.197 1.00 0.00 N ATOM 1063 CA HIS A 73 0.703 -1.406 -6.220 1.00 0.00 C ATOM 1064 C HIS A 73 0.122 -2.192 -5.049 1.00 0.00 C ATOM 1065 O HIS A 73 0.411 -3.377 -4.879 1.00 0.00 O ATOM 1066 CB HIS A 73 0.179 -1.972 -7.540 1.00 0.00 C ATOM 1067 CG HIS A 73 0.026 -0.940 -8.614 1.00 0.00 C ATOM 1068 ND1 HIS A 73 0.852 -0.873 -9.716 1.00 0.00 N ATOM 1069 CD2 HIS A 73 -0.868 0.068 -8.753 1.00 0.00 C ATOM 1070 CE1 HIS A 73 0.476 0.133 -10.485 1.00 0.00 C ATOM 1071 NE2 HIS A 73 -0.566 0.720 -9.924 1.00 0.00 N ATOM 0 H HIS A 73 2.574 -2.199 -6.744 1.00 0.00 H new ATOM 0 HA HIS A 73 0.388 -0.366 -6.129 1.00 0.00 H new ATOM 0 HB2 HIS A 73 0.859 -2.749 -7.888 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -0.786 -2.448 -7.365 1.00 0.00 H new ATOM 0 HD1 HIS A 73 1.632 -1.502 -9.908 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.669 0.313 -8.071 1.00 0.00 H new ATOM 0 HE1 HIS A 73 0.941 0.426 -11.415 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.697 -1.525 -4.242 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.317 -2.160 -3.086 1.00 0.00 C ATOM 1082 C PHE A 74 -2.838 -2.157 -3.215 1.00 0.00 C ATOM 1083 O PHE A 74 -3.402 -1.404 -4.007 1.00 0.00 O ATOM 1084 CB PHE A 74 -0.901 -1.445 -1.799 1.00 0.00 C ATOM 1085 CG PHE A 74 0.571 -1.533 -1.513 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.145 -2.738 -1.138 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.379 -0.413 -1.620 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.499 -2.822 -0.873 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.734 -0.492 -1.356 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.295 -1.698 -0.983 1.00 0.00 C ATOM 0 H PHE A 74 -0.946 -0.544 -4.368 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.975 -3.194 -3.044 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.188 -0.396 -1.867 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.452 -1.872 -0.961 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.528 -3.620 -1.052 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.946 0.532 -1.913 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.935 -3.766 -0.580 1.00 0.00 H new ATOM 0 HE2 PHE A 74 3.353 0.389 -1.441 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.353 -1.762 -0.778 1.00 0.00 H new ATOM 1100 N MET A 75 -3.493 -3.005 -2.429 1.00 0.00 N ATOM 1101 CA MET A 75 -4.948 -3.100 -2.454 1.00 0.00 C ATOM 1102 C MET A 75 -5.526 -2.959 -1.049 1.00 0.00 C ATOM 1103 O MET A 75 -5.083 -3.627 -0.115 1.00 0.00 O ATOM 1104 CB MET A 75 -5.383 -4.433 -3.065 1.00 0.00 C ATOM 1105 CG MET A 75 -6.825 -4.802 -2.755 1.00 0.00 C ATOM 1106 SD MET A 75 -7.423 -6.173 -3.761 1.00 0.00 S ATOM 1107 CE MET A 75 -7.623 -5.367 -5.348 1.00 0.00 C ATOM 0 H MET A 75 -3.040 -3.636 -1.768 1.00 0.00 H new ATOM 0 HA MET A 75 -5.330 -2.285 -3.069 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.253 -4.387 -4.146 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.728 -5.223 -2.698 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.910 -5.066 -1.701 1.00 0.00 H new ATOM 0 HG3 MET A 75 -7.462 -3.932 -2.918 1.00 0.00 H new ATOM 0 HE1 MET A 75 -8.627 -5.557 -5.729 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.476 -4.293 -5.232 1.00 0.00 H new ATOM 0 HE3 MET A 75 -6.888 -5.760 -6.051 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.518 -2.085 -0.907 1.00 0.00 N ATOM 1118 CA ILE A 76 -7.155 -1.858 0.383 1.00 0.00 C ATOM 1119 C ILE A 76 -8.518 -2.539 0.451 1.00 0.00 C ATOM 1120 O ILE A 76 -9.366 -2.343 -0.422 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.332 -0.354 0.667 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.434 -0.106 2.174 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.564 0.180 -0.048 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.092 0.062 2.851 1.00 0.00 C ATOM 0 H ILE A 76 -6.897 -1.523 -1.670 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.498 -2.288 1.139 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.459 0.177 0.288 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.034 0.788 2.347 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -7.963 -0.939 2.636 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.675 1.244 0.163 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.454 0.033 -1.122 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.448 -0.353 0.302 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.241 0.234 3.917 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.497 -0.840 2.709 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.569 0.913 2.416 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.724 -3.338 1.491 1.00 0.00 N ATOM 1137 CA LEU A 77 -9.985 -4.048 1.675 1.00 0.00 C ATOM 1138 C LEU A 77 -10.620 -3.692 3.015 1.00 0.00 C ATOM 1139 O LEU A 77 -9.980 -3.793 4.062 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.760 -5.558 1.589 1.00 0.00 C ATOM 1141 CG LEU A 77 -8.906 -6.044 0.416 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.421 -7.464 0.662 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -9.692 -5.964 -0.884 1.00 0.00 C ATOM 0 H LEU A 77 -8.033 -3.511 2.221 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.665 -3.743 0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.291 -5.889 2.516 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.732 -6.047 1.532 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.035 -5.394 0.331 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -7.815 -7.793 -0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.821 -7.491 1.571 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.279 -8.127 0.774 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.069 -6.313 -1.708 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.581 -6.590 -0.811 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.989 -4.931 -1.067 1.00 0.00 H new ATOM 1155 N GLU A 78 -11.883 -3.279 2.975 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.604 -2.910 4.187 1.00 0.00 C ATOM 1157 C GLU A 78 -13.204 -4.142 4.859 1.00 0.00 C ATOM 1158 O GLU A 78 -13.184 -5.239 4.301 1.00 0.00 O ATOM 1159 CB GLU A 78 -13.710 -1.903 3.863 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.202 -0.632 3.202 1.00 0.00 C ATOM 1161 CD GLU A 78 -13.000 -0.792 1.708 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -11.975 -1.381 1.306 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -13.868 -0.327 0.939 1.00 0.00 O ATOM 0 H GLU A 78 -12.427 -3.192 2.117 1.00 0.00 H new ATOM 0 HA GLU A 78 -11.895 -2.451 4.875 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.440 -2.377 3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.232 -1.640 4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.910 0.176 3.385 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.259 -0.339 3.663 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.737 -3.952 6.061 1.00 0.00 N ATOM 1171 CA LYS A 79 -14.344 -5.045 6.811 1.00 0.00 C ATOM 1172 C LYS A 79 -15.443 -5.720 5.996 1.00 0.00 C ATOM 1173 O LYS A 79 -16.621 -5.398 6.139 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.918 -4.529 8.132 1.00 0.00 C ATOM 1175 CG LYS A 79 -15.630 -5.596 8.945 1.00 0.00 C ATOM 1176 CD LYS A 79 -14.656 -6.389 9.799 1.00 0.00 C ATOM 1177 CE LYS A 79 -14.455 -5.742 11.161 1.00 0.00 C ATOM 1178 NZ LYS A 79 -13.995 -6.726 12.181 1.00 0.00 N ATOM 0 H LYS A 79 -13.761 -3.050 6.537 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.568 -5.781 7.022 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -14.110 -4.108 8.730 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.615 -3.718 7.923 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -16.379 -5.128 9.585 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -16.161 -6.272 8.274 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -15.028 -7.405 9.929 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.697 -6.464 9.285 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -13.724 -4.938 11.077 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.390 -5.289 11.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -13.870 -6.246 13.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -14.704 -7.480 12.280 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.089 -7.140 11.881 1.00 0.00 H new ATOM 1192 N GLY A 80 -15.047 -6.660 5.142 1.00 0.00 N ATOM 1193 CA GLY A 80 -16.011 -7.366 4.319 1.00 0.00 C ATOM 1194 C GLY A 80 -15.614 -7.396 2.856 1.00 0.00 C ATOM 1195 O GLY A 80 -16.470 -7.390 1.973 1.00 0.00 O ATOM 0 H GLY A 80 -14.077 -6.944 5.006 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -16.117 -8.387 4.684 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.986 -6.889 4.418 1.00 0.00 H new ATOM 1199 N GLN A 81 -14.310 -7.427 2.601 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.800 -7.455 1.234 1.00 0.00 C ATOM 1201 C GLN A 81 -12.509 -8.263 1.151 1.00 0.00 C ATOM 1202 O GLN A 81 -11.630 -8.137 2.004 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.559 -6.032 0.728 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.816 -5.178 0.687 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.682 -3.985 -0.238 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -14.374 -4.134 -1.421 1.00 0.00 O ATOM 1207 NE2 GLN A 81 -14.915 -2.792 0.296 1.00 0.00 N ATOM 0 H GLN A 81 -13.588 -7.433 3.321 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.548 -7.935 0.603 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.822 -5.548 1.369 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.130 -6.079 -0.273 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.657 -5.791 0.363 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.046 -4.828 1.693 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -15.168 -2.715 1.281 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.841 -1.953 -0.279 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.402 -9.093 0.119 1.00 0.00 N ATOM 1217 CA LYS A 82 -11.218 -9.922 -0.077 1.00 0.00 C ATOM 1218 C LYS A 82 -10.549 -9.607 -1.411 1.00 0.00 C ATOM 1219 O LYS A 82 -11.194 -9.120 -2.340 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.593 -11.404 -0.019 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.591 -11.821 -1.086 1.00 0.00 C ATOM 1222 CD LYS A 82 -13.101 -13.234 -0.852 1.00 0.00 C ATOM 1223 CE LYS A 82 -14.187 -13.607 -1.848 1.00 0.00 C ATOM 1224 NZ LYS A 82 -14.827 -14.909 -1.510 1.00 0.00 N ATOM 0 H LYS A 82 -13.121 -9.210 -0.595 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.513 -9.701 0.724 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.689 -12.003 -0.125 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -12.010 -11.627 0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.431 -11.126 -1.091 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -12.122 -11.761 -2.068 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -12.273 -13.939 -0.934 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.492 -13.318 0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.945 -12.824 -1.868 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.759 -13.662 -2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -15.562 -15.127 -2.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -14.108 -15.661 -1.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -15.258 -14.849 -0.566 1.00 0.00 H new ATOM 1238 N TRP A 83 -9.255 -9.891 -1.499 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.499 -9.640 -2.722 1.00 0.00 C ATOM 1240 C TRP A 83 -8.840 -10.669 -3.793 1.00 0.00 C ATOM 1241 O TRP A 83 -9.108 -11.830 -3.487 1.00 0.00 O ATOM 1242 CB TRP A 83 -6.998 -9.664 -2.432 1.00 0.00 C ATOM 1243 CG TRP A 83 -6.158 -9.842 -3.660 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.463 -8.873 -4.325 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.928 -11.062 -4.371 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.814 -9.417 -5.406 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -5.082 -10.759 -5.457 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.351 -12.383 -4.196 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.656 -11.728 -6.361 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -5.928 -13.343 -5.095 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -5.086 -13.013 -6.166 1.00 0.00 C ATOM 0 H TRP A 83 -8.707 -10.295 -0.739 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.774 -8.653 -3.094 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.716 -8.734 -1.939 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.783 -10.473 -1.733 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.429 -7.831 -4.042 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.227 -8.904 -6.064 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -6.997 -12.648 -3.372 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -4.009 -11.475 -7.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -6.252 -14.366 -4.970 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.771 -13.787 -6.850 1.00 0.00 H new