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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 29 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 16 ASN : amide:sc= -2.35 K(o=-4.4,f=-11!) USER MOD Set 2.2: A 17 HIS : no HD1:sc= -0.19 X(o=-4.4,f=-4.4) USER MOD Set 2.3: A 81 GLN : amide:sc= -1.9 X(o=-4.4,f=-4.6) USER MOD Set 3.1: A 15 SER OG : rot -67:sc= 1.97 USER MOD Set 3.2: A 73 HIS : no HD1:sc= -1.83! C(o=0.14!,f=-6.9!) 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 -113:sc= -2.83! (180deg=-6.19!) USER MOD Single : A 31 GLN : amide:sc= -0.0609 K(o=-0.061,f=-1.6!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -167:sc= -0.968 (180deg=-1.41) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.164 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= -0.0148 USER MOD Single : A 66 GLN : amide:sc= -0.0512 K(o=-0.051,f=-0.97) USER MOD Single : A 67 THR OG1 : rot -27:sc= 0.602 USER MOD Single : A 71 ASN : amide:sc= -0.0715 X(o=-0.071,f=0) USER MOD Single : A 72 THR OG1 : rot 84:sc= 0.727 USER MOD Single : A 75 MET CE :methyl 134:sc= -2.52! (180deg=-5.43!) USER MOD Single : A 79 LYS NZ :NH3+ -163:sc= -0.0248 (180deg=-0.216) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 10.596 9.347 2.137 1.00 0.00 N ATOM 81 CA ALA A 9 9.544 8.367 1.900 1.00 0.00 C ATOM 82 C ALA A 9 9.605 7.827 0.475 1.00 0.00 C ATOM 83 O ALA A 9 10.090 8.501 -0.433 1.00 0.00 O ATOM 84 CB ALA A 9 8.179 8.981 2.176 1.00 0.00 C ATOM 0 HA ALA A 9 9.700 7.532 2.583 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.402 8.238 1.995 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.131 9.310 3.214 1.00 0.00 H new ATOM 0 HB3 ALA A 9 8.024 9.835 1.517 1.00 0.00 H new ATOM 90 N ARG A 10 9.111 6.607 0.287 1.00 0.00 N ATOM 91 CA ARG A 10 9.112 5.977 -1.027 1.00 0.00 C ATOM 92 C ARG A 10 7.709 5.969 -1.627 1.00 0.00 C ATOM 93 O ARG A 10 6.709 5.807 -0.928 1.00 0.00 O ATOM 94 CB ARG A 10 9.644 4.546 -0.929 1.00 0.00 C ATOM 95 CG ARG A 10 11.114 4.467 -0.551 1.00 0.00 C ATOM 96 CD ARG A 10 12.008 4.485 -1.781 1.00 0.00 C ATOM 97 NE ARG A 10 13.380 4.099 -1.466 1.00 0.00 N ATOM 98 CZ ARG A 10 14.342 3.994 -2.376 1.00 0.00 C ATOM 99 NH1 ARG A 10 14.081 4.244 -3.652 1.00 0.00 N ATOM 100 NH2 ARG A 10 15.567 3.637 -2.012 1.00 0.00 N ATOM 0 H ARG A 10 8.705 6.036 1.028 1.00 0.00 H new ATOM 0 HA ARG A 10 9.765 6.557 -1.680 1.00 0.00 H new ATOM 0 HB2 ARG A 10 9.058 3.999 -0.190 1.00 0.00 H new ATOM 0 HB3 ARG A 10 9.496 4.046 -1.886 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.369 5.305 0.098 1.00 0.00 H new ATOM 0 HG3 ARG A 10 11.296 3.556 0.019 1.00 0.00 H new ATOM 0 HD2 ARG A 10 11.604 3.807 -2.533 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.004 5.484 -2.218 1.00 0.00 H new ATOM 0 HE ARG A 10 13.613 3.899 -0.493 1.00 0.00 H new ATOM 0 HH11 ARG A 10 13.140 4.517 -3.936 1.00 0.00 H new ATOM 0 HH12 ARG A 10 14.821 4.163 -4.349 1.00 0.00 H new ATOM 0 HH21 ARG A 10 15.771 3.443 -1.032 1.00 0.00 H new ATOM 0 HH22 ARG A 10 16.304 3.557 -2.712 1.00 0.00 H new ATOM 114 N PRO A 11 7.632 6.151 -2.953 1.00 0.00 N ATOM 115 CA PRO A 11 6.357 6.169 -3.678 1.00 0.00 C ATOM 116 C PRO A 11 5.700 4.794 -3.728 1.00 0.00 C ATOM 117 O PRO A 11 6.381 3.769 -3.761 1.00 0.00 O ATOM 118 CB PRO A 11 6.754 6.623 -5.084 1.00 0.00 C ATOM 119 CG PRO A 11 8.182 6.223 -5.222 1.00 0.00 C ATOM 120 CD PRO A 11 8.783 6.350 -3.850 1.00 0.00 C ATOM 0 HA PRO A 11 5.624 6.817 -3.198 1.00 0.00 H new ATOM 0 HB2 PRO A 11 6.134 6.147 -5.844 1.00 0.00 H new ATOM 0 HB3 PRO A 11 6.631 7.700 -5.202 1.00 0.00 H new ATOM 0 HG2 PRO A 11 8.267 5.201 -5.592 1.00 0.00 H new ATOM 0 HG3 PRO A 11 8.700 6.864 -5.935 1.00 0.00 H new ATOM 0 HD2 PRO A 11 9.558 5.603 -3.680 1.00 0.00 H new ATOM 0 HD3 PRO A 11 9.244 7.327 -3.702 1.00 0.00 H new ATOM 128 N PHE A 12 4.371 4.778 -3.733 1.00 0.00 N ATOM 129 CA PHE A 12 3.620 3.529 -3.779 1.00 0.00 C ATOM 130 C PHE A 12 2.248 3.741 -4.413 1.00 0.00 C ATOM 131 O PHE A 12 1.668 4.822 -4.315 1.00 0.00 O ATOM 132 CB PHE A 12 3.461 2.954 -2.370 1.00 0.00 C ATOM 133 CG PHE A 12 4.767 2.721 -1.667 1.00 0.00 C ATOM 134 CD1 PHE A 12 5.669 1.785 -2.145 1.00 0.00 C ATOM 135 CD2 PHE A 12 5.092 3.437 -0.526 1.00 0.00 C ATOM 136 CE1 PHE A 12 6.873 1.568 -1.499 1.00 0.00 C ATOM 137 CE2 PHE A 12 6.293 3.225 0.123 1.00 0.00 C ATOM 138 CZ PHE A 12 7.184 2.288 -0.364 1.00 0.00 C ATOM 0 H PHE A 12 3.792 5.617 -3.706 1.00 0.00 H new ATOM 0 HA PHE A 12 4.177 2.821 -4.392 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.854 3.636 -1.775 1.00 0.00 H new ATOM 0 HB3 PHE A 12 2.917 2.012 -2.430 1.00 0.00 H new ATOM 0 HD1 PHE A 12 5.430 1.218 -3.032 1.00 0.00 H new ATOM 0 HD2 PHE A 12 4.398 4.169 -0.140 1.00 0.00 H new ATOM 0 HE1 PHE A 12 7.568 0.836 -1.883 1.00 0.00 H new ATOM 0 HE2 PHE A 12 6.535 3.791 1.010 1.00 0.00 H new ATOM 0 HZ PHE A 12 8.123 2.119 0.143 1.00 0.00 H new ATOM 148 N ARG A 13 1.737 2.700 -5.063 1.00 0.00 N ATOM 149 CA ARG A 13 0.434 2.773 -5.714 1.00 0.00 C ATOM 150 C ARG A 13 -0.637 2.095 -4.864 1.00 0.00 C ATOM 151 O ARG A 13 -0.337 1.223 -4.048 1.00 0.00 O ATOM 152 CB ARG A 13 0.494 2.117 -7.095 1.00 0.00 C ATOM 153 CG ARG A 13 1.152 2.988 -8.154 1.00 0.00 C ATOM 154 CD ARG A 13 1.183 2.292 -9.505 1.00 0.00 C ATOM 155 NE ARG A 13 2.092 2.952 -10.439 1.00 0.00 N ATOM 156 CZ ARG A 13 2.400 2.462 -11.635 1.00 0.00 C ATOM 157 NH1 ARG A 13 1.874 1.314 -12.041 1.00 0.00 N ATOM 158 NH2 ARG A 13 3.236 3.121 -12.428 1.00 0.00 N ATOM 0 H ARG A 13 2.204 1.798 -5.153 1.00 0.00 H new ATOM 0 HA ARG A 13 0.171 3.825 -5.829 1.00 0.00 H new ATOM 0 HB2 ARG A 13 1.041 1.177 -7.018 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -0.518 1.872 -7.416 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.610 3.930 -8.241 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.169 3.233 -7.846 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.490 1.255 -9.372 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.178 2.275 -9.927 1.00 0.00 H new ATOM 0 HE ARG A 13 2.513 3.837 -10.158 1.00 0.00 H new ATOM 0 HH11 ARG A 13 1.231 0.805 -11.435 1.00 0.00 H new ATOM 0 HH12 ARG A 13 2.112 0.940 -12.960 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.642 4.004 -12.119 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.472 2.744 -13.346 1.00 0.00 H new ATOM 172 N VAL A 14 -1.887 2.503 -5.061 1.00 0.00 N ATOM 173 CA VAL A 14 -3.003 1.937 -4.313 1.00 0.00 C ATOM 174 C VAL A 14 -4.242 1.805 -5.191 1.00 0.00 C ATOM 175 O VAL A 14 -4.488 2.637 -6.064 1.00 0.00 O ATOM 176 CB VAL A 14 -3.348 2.795 -3.081 1.00 0.00 C ATOM 177 CG1 VAL A 14 -4.292 2.044 -2.155 1.00 0.00 C ATOM 178 CG2 VAL A 14 -2.080 3.204 -2.347 1.00 0.00 C ATOM 0 H VAL A 14 -2.152 3.224 -5.733 1.00 0.00 H new ATOM 0 HA VAL A 14 -2.690 0.947 -3.980 1.00 0.00 H new ATOM 0 HB VAL A 14 -3.853 3.700 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -4.525 2.666 -1.290 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -5.212 1.806 -2.689 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -3.817 1.121 -1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -2.341 3.810 -1.479 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.545 2.312 -2.020 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -1.443 3.784 -3.016 1.00 0.00 H new ATOM 188 N SER A 15 -5.022 0.755 -4.953 1.00 0.00 N ATOM 189 CA SER A 15 -6.235 0.513 -5.724 1.00 0.00 C ATOM 190 C SER A 15 -7.323 -0.099 -4.847 1.00 0.00 C ATOM 191 O SER A 15 -7.047 -0.949 -4.001 1.00 0.00 O ATOM 192 CB SER A 15 -5.937 -0.410 -6.907 1.00 0.00 C ATOM 193 OG SER A 15 -5.544 0.333 -8.048 1.00 0.00 O ATOM 0 H SER A 15 -4.835 0.058 -4.232 1.00 0.00 H new ATOM 0 HA SER A 15 -6.593 1.471 -6.102 1.00 0.00 H new ATOM 0 HB2 SER A 15 -5.147 -1.110 -6.636 1.00 0.00 H new ATOM 0 HB3 SER A 15 -6.821 -1.002 -7.142 1.00 0.00 H new ATOM 0 HG SER A 15 -6.303 0.863 -8.371 1.00 0.00 H new ATOM 199 N ASN A 16 -8.560 0.339 -5.057 1.00 0.00 N ATOM 200 CA ASN A 16 -9.691 -0.166 -4.286 1.00 0.00 C ATOM 201 C ASN A 16 -10.031 -1.597 -4.693 1.00 0.00 C ATOM 202 O ASN A 16 -9.420 -2.157 -5.603 1.00 0.00 O ATOM 203 CB ASN A 16 -10.910 0.736 -4.481 1.00 0.00 C ATOM 204 CG ASN A 16 -11.721 0.356 -5.706 1.00 0.00 C ATOM 205 OD1 ASN A 16 -12.875 -0.057 -5.598 1.00 0.00 O ATOM 206 ND2 ASN A 16 -11.116 0.495 -6.880 1.00 0.00 N ATOM 0 H ASN A 16 -8.805 1.042 -5.754 1.00 0.00 H new ATOM 0 HA ASN A 16 -9.411 -0.164 -3.232 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -11.545 0.680 -3.597 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -10.582 1.771 -4.573 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -11.610 0.255 -7.740 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -10.158 0.841 -6.922 1.00 0.00 H new ATOM 213 N HIS A 17 -11.012 -2.182 -4.012 1.00 0.00 N ATOM 214 CA HIS A 17 -11.436 -3.547 -4.303 1.00 0.00 C ATOM 215 C HIS A 17 -11.834 -3.691 -5.768 1.00 0.00 C ATOM 216 O HIS A 17 -11.624 -4.740 -6.378 1.00 0.00 O ATOM 217 CB HIS A 17 -12.605 -3.943 -3.402 1.00 0.00 C ATOM 218 CG HIS A 17 -13.799 -3.051 -3.545 1.00 0.00 C ATOM 219 ND1 HIS A 17 -14.850 -3.326 -4.395 1.00 0.00 N ATOM 220 CD2 HIS A 17 -14.108 -1.881 -2.936 1.00 0.00 C ATOM 221 CE1 HIS A 17 -15.750 -2.365 -4.306 1.00 0.00 C ATOM 222 NE2 HIS A 17 -15.325 -1.476 -3.427 1.00 0.00 N ATOM 0 H HIS A 17 -11.528 -1.732 -3.256 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.595 -4.213 -4.107 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.898 -4.968 -3.630 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -12.274 -3.930 -2.364 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -13.509 -1.363 -2.201 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -16.677 -2.314 -4.858 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -15.820 -0.626 -3.157 1.00 0.00 H new ATOM 231 N ASP A 18 -12.411 -2.632 -6.327 1.00 0.00 N ATOM 232 CA ASP A 18 -12.839 -2.642 -7.720 1.00 0.00 C ATOM 233 C ASP A 18 -11.642 -2.521 -8.658 1.00 0.00 C ATOM 234 O ASP A 18 -11.801 -2.423 -9.875 1.00 0.00 O ATOM 235 CB ASP A 18 -13.823 -1.501 -7.981 1.00 0.00 C ATOM 236 CG ASP A 18 -14.719 -1.770 -9.175 1.00 0.00 C ATOM 237 OD1 ASP A 18 -15.162 -2.927 -9.336 1.00 0.00 O ATOM 238 OD2 ASP A 18 -14.978 -0.824 -9.948 1.00 0.00 O ATOM 0 H ASP A 18 -12.593 -1.756 -5.836 1.00 0.00 H new ATOM 0 HA ASP A 18 -13.336 -3.593 -7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -14.439 -1.347 -7.095 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -13.268 -0.578 -8.148 1.00 0.00 H new ATOM 243 N ARG A 19 -10.444 -2.527 -8.082 1.00 0.00 N ATOM 244 CA ARG A 19 -9.219 -2.417 -8.866 1.00 0.00 C ATOM 245 C ARG A 19 -9.420 -1.486 -10.058 1.00 0.00 C ATOM 246 O ARG A 19 -9.023 -1.803 -11.180 1.00 0.00 O ATOM 247 CB ARG A 19 -8.772 -3.797 -9.351 1.00 0.00 C ATOM 248 CG ARG A 19 -7.982 -4.580 -8.316 1.00 0.00 C ATOM 249 CD ARG A 19 -7.264 -5.765 -8.942 1.00 0.00 C ATOM 250 NE ARG A 19 -6.200 -5.344 -9.847 1.00 0.00 N ATOM 251 CZ ARG A 19 -5.153 -6.101 -10.155 1.00 0.00 C ATOM 252 NH1 ARG A 19 -5.032 -7.314 -9.633 1.00 0.00 N ATOM 253 NH2 ARG A 19 -4.225 -5.648 -10.988 1.00 0.00 N ATOM 0 H ARG A 19 -10.295 -2.607 -7.076 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.443 -1.997 -8.226 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -9.651 -4.374 -9.638 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -8.163 -3.678 -10.247 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -7.255 -3.923 -7.839 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.654 -4.933 -7.534 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -6.844 -6.391 -8.155 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.982 -6.377 -9.487 1.00 0.00 H new ATOM 0 HE ARG A 19 -6.264 -4.417 -10.267 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.744 -7.667 -8.994 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -4.227 -7.894 -9.871 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.315 -4.716 -11.393 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -3.422 -6.231 -11.223 1.00 0.00 H new ATOM 267 N SER A 20 -10.038 -0.336 -9.808 1.00 0.00 N ATOM 268 CA SER A 20 -10.295 0.639 -10.862 1.00 0.00 C ATOM 269 C SER A 20 -9.625 1.971 -10.545 1.00 0.00 C ATOM 270 O SER A 20 -9.160 2.674 -11.443 1.00 0.00 O ATOM 271 CB SER A 20 -11.802 0.843 -11.041 1.00 0.00 C ATOM 272 OG SER A 20 -12.069 1.827 -12.024 1.00 0.00 O ATOM 0 H SER A 20 -10.370 -0.057 -8.885 1.00 0.00 H new ATOM 0 HA SER A 20 -9.875 0.253 -11.790 1.00 0.00 H new ATOM 0 HB2 SER A 20 -12.268 -0.099 -11.329 1.00 0.00 H new ATOM 0 HB3 SER A 20 -12.247 1.142 -10.092 1.00 0.00 H new ATOM 0 HG SER A 20 -13.038 1.938 -12.121 1.00 0.00 H new ATOM 278 N SER A 21 -9.577 2.312 -9.261 1.00 0.00 N ATOM 279 CA SER A 21 -8.966 3.562 -8.825 1.00 0.00 C ATOM 280 C SER A 21 -7.462 3.393 -8.632 1.00 0.00 C ATOM 281 O SER A 21 -6.985 2.306 -8.309 1.00 0.00 O ATOM 282 CB SER A 21 -9.608 4.039 -7.520 1.00 0.00 C ATOM 283 OG SER A 21 -10.869 4.638 -7.762 1.00 0.00 O ATOM 0 H SER A 21 -9.954 1.740 -8.505 1.00 0.00 H new ATOM 0 HA SER A 21 -9.134 4.310 -9.600 1.00 0.00 H new ATOM 0 HB2 SER A 21 -9.727 3.196 -6.840 1.00 0.00 H new ATOM 0 HB3 SER A 21 -8.950 4.755 -7.028 1.00 0.00 H new ATOM 0 HG SER A 21 -11.259 4.933 -6.913 1.00 0.00 H new ATOM 289 N ARG A 22 -6.721 4.478 -8.835 1.00 0.00 N ATOM 290 CA ARG A 22 -5.271 4.451 -8.686 1.00 0.00 C ATOM 291 C ARG A 22 -4.784 5.658 -7.889 1.00 0.00 C ATOM 292 O ARG A 22 -4.899 6.798 -8.338 1.00 0.00 O ATOM 293 CB ARG A 22 -4.596 4.428 -10.059 1.00 0.00 C ATOM 294 CG ARG A 22 -4.759 3.107 -10.795 1.00 0.00 C ATOM 295 CD ARG A 22 -4.767 3.307 -12.302 1.00 0.00 C ATOM 296 NE ARG A 22 -4.974 2.052 -13.019 1.00 0.00 N ATOM 297 CZ ARG A 22 -5.329 1.987 -14.298 1.00 0.00 C ATOM 298 NH1 ARG A 22 -5.515 3.098 -14.996 1.00 0.00 N ATOM 299 NH2 ARG A 22 -5.499 0.806 -14.881 1.00 0.00 N ATOM 0 H ARG A 22 -7.101 5.386 -9.103 1.00 0.00 H new ATOM 0 HA ARG A 22 -5.004 3.545 -8.142 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -5.010 5.229 -10.672 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.533 4.637 -9.936 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -3.947 2.434 -10.520 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.688 2.629 -10.485 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.554 4.012 -12.570 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -3.822 3.751 -12.614 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.839 1.178 -12.511 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.386 4.007 -14.552 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.787 3.044 -15.977 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -5.357 -0.051 -14.347 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -5.771 0.756 -15.863 1.00 0.00 H new ATOM 313 N ARG A 23 -4.240 5.398 -6.704 1.00 0.00 N ATOM 314 CA ARG A 23 -3.738 6.462 -5.844 1.00 0.00 C ATOM 315 C ARG A 23 -2.271 6.231 -5.494 1.00 0.00 C ATOM 316 O ARG A 23 -1.914 5.205 -4.916 1.00 0.00 O ATOM 317 CB ARG A 23 -4.571 6.549 -4.564 1.00 0.00 C ATOM 318 CG ARG A 23 -4.649 7.951 -3.981 1.00 0.00 C ATOM 319 CD ARG A 23 -3.310 8.393 -3.412 1.00 0.00 C ATOM 320 NE ARG A 23 -2.489 9.073 -4.409 1.00 0.00 N ATOM 321 CZ ARG A 23 -2.845 10.204 -5.007 1.00 0.00 C ATOM 322 NH1 ARG A 23 -4.002 10.780 -4.709 1.00 0.00 N ATOM 323 NH2 ARG A 23 -2.043 10.763 -5.905 1.00 0.00 N ATOM 0 H ARG A 23 -4.136 4.459 -6.318 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.821 7.403 -6.387 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -5.581 6.195 -4.773 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.146 5.878 -3.818 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -4.966 8.651 -4.754 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -5.406 7.979 -3.197 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -3.478 9.059 -2.566 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.773 7.524 -3.032 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.592 8.657 -4.660 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -4.621 10.354 -4.019 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.273 11.649 -5.170 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.152 10.324 -6.137 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -2.318 11.632 -6.364 1.00 0.00 H new ATOM 337 N GLY A 24 -1.425 7.194 -5.848 1.00 0.00 N ATOM 338 CA GLY A 24 -0.007 7.076 -5.565 1.00 0.00 C ATOM 339 C GLY A 24 0.377 7.720 -4.247 1.00 0.00 C ATOM 340 O GLY A 24 0.493 8.943 -4.155 1.00 0.00 O ATOM 0 H GLY A 24 -1.697 8.053 -6.326 1.00 0.00 H new ATOM 0 HA2 GLY A 24 0.270 6.022 -5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 24 0.561 7.540 -6.371 1.00 0.00 H new ATOM 344 N VAL A 25 0.573 6.896 -3.222 1.00 0.00 N ATOM 345 CA VAL A 25 0.943 7.393 -1.903 1.00 0.00 C ATOM 346 C VAL A 25 2.410 7.107 -1.600 1.00 0.00 C ATOM 347 O VAL A 25 2.949 6.079 -2.009 1.00 0.00 O ATOM 348 CB VAL A 25 0.072 6.763 -0.800 1.00 0.00 C ATOM 349 CG1 VAL A 25 0.301 7.467 0.529 1.00 0.00 C ATOM 350 CG2 VAL A 25 -1.397 6.812 -1.191 1.00 0.00 C ATOM 0 H VAL A 25 0.482 5.882 -3.280 1.00 0.00 H new ATOM 0 HA VAL A 25 0.779 8.471 -1.914 1.00 0.00 H new ATOM 0 HB VAL A 25 0.361 5.718 -0.685 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -0.323 7.008 1.296 1.00 0.00 H new ATOM 0 HG12 VAL A 25 1.350 7.377 0.812 1.00 0.00 H new ATOM 0 HG13 VAL A 25 0.040 8.521 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.999 6.363 -0.401 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -1.701 7.849 -1.334 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.545 6.259 -2.119 1.00 0.00 H new ATOM 360 N MET A 26 3.051 8.024 -0.883 1.00 0.00 N ATOM 361 CA MET A 26 4.456 7.870 -0.525 1.00 0.00 C ATOM 362 C MET A 26 4.628 7.816 0.990 1.00 0.00 C ATOM 363 O MET A 26 4.091 8.653 1.715 1.00 0.00 O ATOM 364 CB MET A 26 5.282 9.021 -1.103 1.00 0.00 C ATOM 365 CG MET A 26 5.396 10.215 -0.169 1.00 0.00 C ATOM 366 SD MET A 26 6.465 11.510 -0.827 1.00 0.00 S ATOM 367 CE MET A 26 8.055 10.685 -0.795 1.00 0.00 C ATOM 0 H MET A 26 2.620 8.882 -0.538 1.00 0.00 H new ATOM 0 HA MET A 26 4.811 6.930 -0.947 1.00 0.00 H new ATOM 0 HB2 MET A 26 6.282 8.657 -1.338 1.00 0.00 H new ATOM 0 HB3 MET A 26 4.832 9.345 -2.041 1.00 0.00 H new ATOM 0 HG2 MET A 26 4.403 10.626 0.012 1.00 0.00 H new ATOM 0 HG3 MET A 26 5.784 9.883 0.794 1.00 0.00 H new ATOM 0 HE1 MET A 26 8.701 11.169 -0.062 1.00 0.00 H new ATOM 0 HE2 MET A 26 7.917 9.639 -0.522 1.00 0.00 H new ATOM 0 HE3 MET A 26 8.516 10.745 -1.781 1.00 0.00 H new ATOM 377 N ALA A 27 5.380 6.826 1.460 1.00 0.00 N ATOM 378 CA ALA A 27 5.624 6.665 2.889 1.00 0.00 C ATOM 379 C ALA A 27 6.993 6.045 3.145 1.00 0.00 C ATOM 380 O ALA A 27 7.492 5.263 2.337 1.00 0.00 O ATOM 381 CB ALA A 27 4.531 5.814 3.518 1.00 0.00 C ATOM 0 H ALA A 27 5.830 6.124 0.873 1.00 0.00 H new ATOM 0 HA ALA A 27 5.610 7.653 3.349 1.00 0.00 H new ATOM 0 HB1 ALA A 27 4.726 5.702 4.585 1.00 0.00 H new ATOM 0 HB2 ALA A 27 3.565 6.298 3.374 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.518 4.831 3.046 1.00 0.00 H new ATOM 387 N SER A 28 7.595 6.400 4.276 1.00 0.00 N ATOM 388 CA SER A 28 8.909 5.881 4.638 1.00 0.00 C ATOM 389 C SER A 28 8.806 4.447 5.148 1.00 0.00 C ATOM 390 O SER A 28 9.697 3.629 4.918 1.00 0.00 O ATOM 391 CB SER A 28 9.556 6.768 5.702 1.00 0.00 C ATOM 392 OG SER A 28 10.623 6.095 6.348 1.00 0.00 O ATOM 0 H SER A 28 7.194 7.045 4.957 1.00 0.00 H new ATOM 0 HA SER A 28 9.532 5.886 3.744 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.926 7.684 5.241 1.00 0.00 H new ATOM 0 HB3 SER A 28 8.808 7.062 6.439 1.00 0.00 H new ATOM 0 HG SER A 28 11.021 6.684 7.023 1.00 0.00 H new ATOM 398 N SER A 29 7.711 4.149 5.840 1.00 0.00 N ATOM 399 CA SER A 29 7.492 2.815 6.387 1.00 0.00 C ATOM 400 C SER A 29 6.112 2.290 6.001 1.00 0.00 C ATOM 401 O SER A 29 5.375 2.938 5.257 1.00 0.00 O ATOM 402 CB SER A 29 7.634 2.836 7.910 1.00 0.00 C ATOM 403 OG SER A 29 8.781 3.569 8.305 1.00 0.00 O ATOM 0 H SER A 29 6.962 4.813 6.035 1.00 0.00 H new ATOM 0 HA SER A 29 8.246 2.149 5.968 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.744 3.280 8.355 1.00 0.00 H new ATOM 0 HB3 SER A 29 7.703 1.815 8.286 1.00 0.00 H new ATOM 0 HG SER A 29 8.848 3.569 9.283 1.00 0.00 H new ATOM 409 N LEU A 30 5.772 1.112 6.510 1.00 0.00 N ATOM 410 CA LEU A 30 4.480 0.498 6.220 1.00 0.00 C ATOM 411 C LEU A 30 3.363 1.183 7.000 1.00 0.00 C ATOM 412 O LEU A 30 2.385 1.651 6.418 1.00 0.00 O ATOM 413 CB LEU A 30 4.515 -0.993 6.560 1.00 0.00 C ATOM 414 CG LEU A 30 3.163 -1.708 6.582 1.00 0.00 C ATOM 415 CD1 LEU A 30 2.604 -1.836 5.174 1.00 0.00 C ATOM 416 CD2 LEU A 30 3.296 -3.079 7.231 1.00 0.00 C ATOM 0 H LEU A 30 6.372 0.562 7.125 1.00 0.00 H new ATOM 0 HA LEU A 30 4.280 0.618 5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.157 -1.495 5.837 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.982 -1.112 7.538 1.00 0.00 H new ATOM 0 HG LEU A 30 2.468 -1.113 7.174 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.642 -2.347 5.210 1.00 0.00 H new ATOM 0 HD12 LEU A 30 2.472 -0.843 4.743 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.297 -2.409 4.558 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.325 -3.574 7.238 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.006 -3.682 6.665 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.652 -2.964 8.255 1.00 0.00 H new ATOM 428 N GLN A 31 3.518 1.239 8.318 1.00 0.00 N ATOM 429 CA GLN A 31 2.522 1.869 9.177 1.00 0.00 C ATOM 430 C GLN A 31 2.095 3.222 8.615 1.00 0.00 C ATOM 431 O GLN A 31 0.905 3.512 8.510 1.00 0.00 O ATOM 432 CB GLN A 31 3.076 2.044 10.593 1.00 0.00 C ATOM 433 CG GLN A 31 2.054 2.578 11.583 1.00 0.00 C ATOM 434 CD GLN A 31 1.151 1.491 12.133 1.00 0.00 C ATOM 435 OE1 GLN A 31 1.533 0.322 12.193 1.00 0.00 O ATOM 436 NE2 GLN A 31 -0.056 1.872 12.537 1.00 0.00 N ATOM 0 H GLN A 31 4.323 0.856 8.815 1.00 0.00 H new ATOM 0 HA GLN A 31 1.648 1.219 9.214 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.448 1.084 10.950 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.927 2.724 10.560 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.573 3.066 12.408 1.00 0.00 H new ATOM 0 HG3 GLN A 31 1.445 3.339 11.096 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -0.331 2.852 12.469 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -0.708 1.185 12.915 1.00 0.00 H new ATOM 445 N GLU A 32 3.076 4.044 8.256 1.00 0.00 N ATOM 446 CA GLU A 32 2.800 5.366 7.705 1.00 0.00 C ATOM 447 C GLU A 32 1.875 5.269 6.496 1.00 0.00 C ATOM 448 O GLU A 32 0.801 5.872 6.472 1.00 0.00 O ATOM 449 CB GLU A 32 4.105 6.060 7.309 1.00 0.00 C ATOM 450 CG GLU A 32 3.907 7.469 6.776 1.00 0.00 C ATOM 451 CD GLU A 32 5.124 8.350 6.989 1.00 0.00 C ATOM 452 OE1 GLU A 32 6.078 8.245 6.190 1.00 0.00 O ATOM 453 OE2 GLU A 32 5.121 9.142 7.954 1.00 0.00 O ATOM 0 H GLU A 32 4.067 3.818 8.337 1.00 0.00 H new ATOM 0 HA GLU A 32 2.302 5.956 8.475 1.00 0.00 H new ATOM 0 HB2 GLU A 32 4.764 6.098 8.176 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.610 5.461 6.551 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.679 7.422 5.711 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.045 7.921 7.267 1.00 0.00 H new ATOM 460 N LEU A 33 2.300 4.509 5.493 1.00 0.00 N ATOM 461 CA LEU A 33 1.510 4.333 4.279 1.00 0.00 C ATOM 462 C LEU A 33 0.055 4.024 4.615 1.00 0.00 C ATOM 463 O LEU A 33 -0.837 4.831 4.353 1.00 0.00 O ATOM 464 CB LEU A 33 2.098 3.210 3.423 1.00 0.00 C ATOM 465 CG LEU A 33 1.345 2.884 2.133 1.00 0.00 C ATOM 466 CD1 LEU A 33 0.287 1.821 2.385 1.00 0.00 C ATOM 467 CD2 LEU A 33 0.713 4.141 1.554 1.00 0.00 C ATOM 0 H LEU A 33 3.187 4.005 5.496 1.00 0.00 H new ATOM 0 HA LEU A 33 1.542 5.266 3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 33 3.123 3.476 3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.147 2.306 4.030 1.00 0.00 H new ATOM 0 HG LEU A 33 2.058 2.492 1.408 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.238 1.603 1.455 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.764 0.913 2.754 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.424 2.184 3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 33 0.181 3.891 0.636 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.013 4.562 2.276 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.491 4.872 1.335 1.00 0.00 H new ATOM 479 N ILE A 34 -0.176 2.853 5.199 1.00 0.00 N ATOM 480 CA ILE A 34 -1.523 2.439 5.574 1.00 0.00 C ATOM 481 C ILE A 34 -2.347 3.626 6.061 1.00 0.00 C ATOM 482 O ILE A 34 -3.437 3.889 5.553 1.00 0.00 O ATOM 483 CB ILE A 34 -1.495 1.363 6.675 1.00 0.00 C ATOM 484 CG1 ILE A 34 -0.992 0.033 6.106 1.00 0.00 C ATOM 485 CG2 ILE A 34 -2.877 1.195 7.286 1.00 0.00 C ATOM 486 CD1 ILE A 34 -0.510 -0.932 7.166 1.00 0.00 C ATOM 0 H ILE A 34 0.552 2.174 5.423 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.985 2.021 4.680 1.00 0.00 H new ATOM 0 HB ILE A 34 -0.809 1.684 7.459 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.794 -0.436 5.536 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -0.178 0.230 5.408 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.841 0.431 8.063 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.200 2.141 7.722 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -3.583 0.893 6.512 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -0.168 -1.852 6.692 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.314 -0.482 7.720 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.327 -1.158 7.851 1.00 0.00 H new ATOM 498 N SER A 35 -1.816 4.344 7.047 1.00 0.00 N ATOM 499 CA SER A 35 -2.503 5.503 7.604 1.00 0.00 C ATOM 500 C SER A 35 -2.823 6.521 6.513 1.00 0.00 C ATOM 501 O SER A 35 -3.911 7.097 6.483 1.00 0.00 O ATOM 502 CB SER A 35 -1.648 6.155 8.691 1.00 0.00 C ATOM 503 OG SER A 35 -2.180 7.412 9.073 1.00 0.00 O ATOM 0 H SER A 35 -0.913 4.143 7.476 1.00 0.00 H new ATOM 0 HA SER A 35 -3.440 5.162 8.045 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.597 5.499 9.560 1.00 0.00 H new ATOM 0 HB3 SER A 35 -0.628 6.283 8.328 1.00 0.00 H new ATOM 0 HG SER A 35 -1.616 7.808 9.770 1.00 0.00 H new ATOM 509 N LYS A 36 -1.866 6.738 5.617 1.00 0.00 N ATOM 510 CA LYS A 36 -2.042 7.686 4.523 1.00 0.00 C ATOM 511 C LYS A 36 -3.131 7.213 3.564 1.00 0.00 C ATOM 512 O LYS A 36 -4.098 7.929 3.304 1.00 0.00 O ATOM 513 CB LYS A 36 -0.726 7.871 3.765 1.00 0.00 C ATOM 514 CG LYS A 36 0.288 8.726 4.506 1.00 0.00 C ATOM 515 CD LYS A 36 1.612 8.789 3.765 1.00 0.00 C ATOM 516 CE LYS A 36 2.332 10.105 4.021 1.00 0.00 C ATOM 517 NZ LYS A 36 3.233 10.022 5.204 1.00 0.00 N ATOM 0 H LYS A 36 -0.960 6.270 5.627 1.00 0.00 H new ATOM 0 HA LYS A 36 -2.347 8.642 4.949 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.289 6.892 3.569 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.935 8.327 2.797 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.108 9.734 4.632 1.00 0.00 H new ATOM 0 HG3 LYS A 36 0.448 8.319 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 36 2.246 7.959 4.079 1.00 0.00 H new ATOM 0 HD3 LYS A 36 1.438 8.670 2.696 1.00 0.00 H new ATOM 0 HE2 LYS A 36 2.913 10.379 3.140 1.00 0.00 H new ATOM 0 HE3 LYS A 36 1.599 10.896 4.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 3.533 10.979 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 2.727 9.576 5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 4.070 9.453 4.964 1.00 0.00 H new ATOM 531 N THR A 37 -2.968 6.001 3.042 1.00 0.00 N ATOM 532 CA THR A 37 -3.936 5.432 2.112 1.00 0.00 C ATOM 533 C THR A 37 -5.362 5.783 2.522 1.00 0.00 C ATOM 534 O THR A 37 -6.104 6.402 1.758 1.00 0.00 O ATOM 535 CB THR A 37 -3.801 3.901 2.027 1.00 0.00 C ATOM 536 OG1 THR A 37 -2.443 3.544 1.745 1.00 0.00 O ATOM 537 CG2 THR A 37 -4.714 3.336 0.949 1.00 0.00 C ATOM 0 H THR A 37 -2.174 5.394 3.248 1.00 0.00 H new ATOM 0 HA THR A 37 -3.725 5.862 1.133 1.00 0.00 H new ATOM 0 HB THR A 37 -4.095 3.478 2.988 1.00 0.00 H new ATOM 0 HG1 THR A 37 -2.365 2.568 1.694 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.601 2.253 0.908 1.00 0.00 H new ATOM 0 HG22 THR A 37 -5.749 3.584 1.182 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.446 3.766 -0.016 1.00 0.00 H new ATOM 545 N LEU A 38 -5.740 5.385 3.732 1.00 0.00 N ATOM 546 CA LEU A 38 -7.079 5.658 4.243 1.00 0.00 C ATOM 547 C LEU A 38 -7.470 7.111 3.998 1.00 0.00 C ATOM 548 O LEU A 38 -8.549 7.396 3.478 1.00 0.00 O ATOM 549 CB LEU A 38 -7.148 5.346 5.739 1.00 0.00 C ATOM 550 CG LEU A 38 -7.189 3.864 6.114 1.00 0.00 C ATOM 551 CD1 LEU A 38 -6.545 3.639 7.473 1.00 0.00 C ATOM 552 CD2 LEU A 38 -8.623 3.353 6.111 1.00 0.00 C ATOM 0 H LEU A 38 -5.139 4.873 4.377 1.00 0.00 H new ATOM 0 HA LEU A 38 -7.782 5.017 3.710 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.284 5.799 6.225 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -8.034 5.829 6.150 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.623 3.305 5.369 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.584 2.579 7.723 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.506 3.967 7.442 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.083 4.210 8.230 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.633 2.297 6.380 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.212 3.917 6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.052 3.478 5.117 1.00 0.00 H new ATOM 564 N ASP A 39 -6.584 8.029 4.371 1.00 0.00 N ATOM 565 CA ASP A 39 -6.834 9.454 4.189 1.00 0.00 C ATOM 566 C ASP A 39 -7.023 9.787 2.712 1.00 0.00 C ATOM 567 O ASP A 39 -7.923 10.542 2.347 1.00 0.00 O ATOM 568 CB ASP A 39 -5.680 10.275 4.766 1.00 0.00 C ATOM 569 CG ASP A 39 -6.079 11.708 5.057 1.00 0.00 C ATOM 570 OD1 ASP A 39 -6.864 11.926 6.004 1.00 0.00 O ATOM 571 OD2 ASP A 39 -5.604 12.612 4.340 1.00 0.00 O ATOM 0 H ASP A 39 -5.685 7.811 4.802 1.00 0.00 H new ATOM 0 HA ASP A 39 -7.751 9.708 4.721 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -5.327 9.805 5.684 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -4.846 10.268 4.064 1.00 0.00 H new ATOM 576 N ALA A 40 -6.167 9.219 1.869 1.00 0.00 N ATOM 577 CA ALA A 40 -6.241 9.455 0.432 1.00 0.00 C ATOM 578 C ALA A 40 -7.590 9.017 -0.128 1.00 0.00 C ATOM 579 O ALA A 40 -8.326 9.821 -0.702 1.00 0.00 O ATOM 580 CB ALA A 40 -5.110 8.728 -0.280 1.00 0.00 C ATOM 0 H ALA A 40 -5.415 8.593 2.156 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.136 10.526 0.258 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -5.177 8.913 -1.352 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -4.152 9.092 0.092 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -5.189 7.658 -0.090 1.00 0.00 H new ATOM 586 N LEU A 41 -7.908 7.738 0.041 1.00 0.00 N ATOM 587 CA LEU A 41 -9.170 7.193 -0.449 1.00 0.00 C ATOM 588 C LEU A 41 -10.335 7.652 0.421 1.00 0.00 C ATOM 589 O LEU A 41 -11.482 7.260 0.199 1.00 0.00 O ATOM 590 CB LEU A 41 -9.110 5.665 -0.476 1.00 0.00 C ATOM 591 CG LEU A 41 -8.409 5.043 -1.685 1.00 0.00 C ATOM 592 CD1 LEU A 41 -7.768 3.717 -1.306 1.00 0.00 C ATOM 593 CD2 LEU A 41 -9.392 4.854 -2.832 1.00 0.00 C ATOM 0 H LEU A 41 -7.310 7.060 0.513 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.329 7.563 -1.462 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.604 5.325 0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.129 5.280 -0.434 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.623 5.722 -2.015 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.274 3.289 -2.178 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -7.034 3.880 -0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.536 3.030 -0.951 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -8.876 4.411 -3.684 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -10.200 4.195 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -9.804 5.821 -3.121 1.00 0.00 H new ATOM 605 N VAL A 42 -10.036 8.487 1.411 1.00 0.00 N ATOM 606 CA VAL A 42 -11.059 9.003 2.313 1.00 0.00 C ATOM 607 C VAL A 42 -12.066 7.918 2.679 1.00 0.00 C ATOM 608 O VAL A 42 -13.276 8.151 2.670 1.00 0.00 O ATOM 609 CB VAL A 42 -11.810 10.194 1.688 1.00 0.00 C ATOM 610 CG1 VAL A 42 -12.725 10.846 2.712 1.00 0.00 C ATOM 611 CG2 VAL A 42 -10.824 11.205 1.121 1.00 0.00 C ATOM 0 H VAL A 42 -9.093 8.821 1.609 1.00 0.00 H new ATOM 0 HA VAL A 42 -10.546 9.339 3.214 1.00 0.00 H new ATOM 0 HB VAL A 42 -12.428 9.823 0.870 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -13.247 11.685 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -13.453 10.116 3.066 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -12.132 11.205 3.553 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -11.371 12.040 0.683 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -10.179 11.572 1.920 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -10.215 10.728 0.353 1.00 0.00 H new ATOM 621 N ILE A 43 -11.560 6.733 3.000 1.00 0.00 N ATOM 622 CA ILE A 43 -12.415 5.612 3.371 1.00 0.00 C ATOM 623 C ILE A 43 -13.309 5.970 4.553 1.00 0.00 C ATOM 624 O ILE A 43 -12.873 6.627 5.497 1.00 0.00 O ATOM 625 CB ILE A 43 -11.585 4.365 3.729 1.00 0.00 C ATOM 626 CG1 ILE A 43 -10.706 3.954 2.547 1.00 0.00 C ATOM 627 CG2 ILE A 43 -12.500 3.221 4.140 1.00 0.00 C ATOM 628 CD1 ILE A 43 -9.869 2.722 2.816 1.00 0.00 C ATOM 0 H ILE A 43 -10.562 6.524 3.011 1.00 0.00 H new ATOM 0 HA ILE A 43 -13.036 5.388 2.503 1.00 0.00 H new ATOM 0 HB ILE A 43 -10.937 4.607 4.571 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -11.340 3.770 1.680 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -10.046 4.783 2.290 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -11.899 2.347 4.390 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -13.087 3.519 5.009 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -13.170 2.977 3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -9.271 2.489 1.935 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -9.209 2.908 3.663 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -10.523 1.880 3.044 1.00 0.00 H new ATOM 640 N ALA A 44 -14.563 5.533 4.493 1.00 0.00 N ATOM 641 CA ALA A 44 -15.518 5.805 5.561 1.00 0.00 C ATOM 642 C ALA A 44 -14.949 5.411 6.920 1.00 0.00 C ATOM 643 O ALA A 44 -14.822 6.245 7.817 1.00 0.00 O ATOM 644 CB ALA A 44 -16.824 5.068 5.300 1.00 0.00 C ATOM 0 H ALA A 44 -14.941 4.990 3.717 1.00 0.00 H new ATOM 0 HA ALA A 44 -15.714 6.877 5.576 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -17.528 5.280 6.105 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.246 5.400 4.352 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -16.634 3.996 5.257 1.00 0.00 H new ATOM 650 N THR A 45 -14.607 4.135 7.067 1.00 0.00 N ATOM 651 CA THR A 45 -14.054 3.630 8.317 1.00 0.00 C ATOM 652 C THR A 45 -12.542 3.463 8.220 1.00 0.00 C ATOM 653 O THR A 45 -11.953 3.648 7.156 1.00 0.00 O ATOM 654 CB THR A 45 -14.685 2.280 8.706 1.00 0.00 C ATOM 655 OG1 THR A 45 -14.257 1.900 10.019 1.00 0.00 O ATOM 656 CG2 THR A 45 -14.301 1.196 7.709 1.00 0.00 C ATOM 0 H THR A 45 -14.704 3.432 6.335 1.00 0.00 H new ATOM 0 HA THR A 45 -14.287 4.366 9.087 1.00 0.00 H new ATOM 0 HB THR A 45 -15.769 2.394 8.696 1.00 0.00 H new ATOM 0 HG1 THR A 45 -14.664 1.042 10.260 1.00 0.00 H new ATOM 0 HG21 THR A 45 -14.758 0.252 8.004 1.00 0.00 H new ATOM 0 HG22 THR A 45 -14.653 1.474 6.716 1.00 0.00 H new ATOM 0 HG23 THR A 45 -13.217 1.085 7.692 1.00 0.00 H new ATOM 664 N GLY A 46 -11.917 3.110 9.340 1.00 0.00 N ATOM 665 CA GLY A 46 -10.478 2.923 9.360 1.00 0.00 C ATOM 666 C GLY A 46 -10.083 1.462 9.293 1.00 0.00 C ATOM 667 O GLY A 46 -9.059 1.114 8.703 1.00 0.00 O ATOM 0 H GLY A 46 -12.382 2.950 10.234 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -10.034 3.455 8.519 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -10.070 3.365 10.269 1.00 0.00 H new ATOM 671 N LEU A 47 -10.894 0.602 9.902 1.00 0.00 N ATOM 672 CA LEU A 47 -10.622 -0.831 9.911 1.00 0.00 C ATOM 673 C LEU A 47 -10.515 -1.374 8.490 1.00 0.00 C ATOM 674 O LEU A 47 -11.526 -1.634 7.835 1.00 0.00 O ATOM 675 CB LEU A 47 -11.722 -1.573 10.672 1.00 0.00 C ATOM 676 CG LEU A 47 -11.312 -2.895 11.323 1.00 0.00 C ATOM 677 CD1 LEU A 47 -10.590 -3.782 10.321 1.00 0.00 C ATOM 678 CD2 LEU A 47 -10.438 -2.641 12.541 1.00 0.00 C ATOM 0 H LEU A 47 -11.745 0.873 10.395 1.00 0.00 H new ATOM 0 HA LEU A 47 -9.668 -0.992 10.414 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -12.108 -0.913 11.449 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -12.544 -1.769 9.983 1.00 0.00 H new ATOM 0 HG LEU A 47 -12.214 -3.412 11.650 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -10.306 -4.718 10.802 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -11.250 -3.992 9.479 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -9.696 -3.272 9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -10.156 -3.593 12.991 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -9.540 -2.102 12.238 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -10.991 -2.046 13.268 1.00 0.00 H new ATOM 690 N VAL A 48 -9.285 -1.545 8.017 1.00 0.00 N ATOM 691 CA VAL A 48 -9.046 -2.061 6.675 1.00 0.00 C ATOM 692 C VAL A 48 -7.812 -2.956 6.642 1.00 0.00 C ATOM 693 O VAL A 48 -7.042 -3.009 7.602 1.00 0.00 O ATOM 694 CB VAL A 48 -8.864 -0.918 5.659 1.00 0.00 C ATOM 695 CG1 VAL A 48 -10.127 -0.074 5.574 1.00 0.00 C ATOM 696 CG2 VAL A 48 -7.664 -0.060 6.030 1.00 0.00 C ATOM 0 H VAL A 48 -8.438 -1.333 8.544 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.923 -2.646 6.400 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.679 -1.354 4.677 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.980 0.729 4.851 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -10.962 -0.699 5.257 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.345 0.354 6.552 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -7.551 0.742 5.301 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.816 0.369 7.021 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.764 -0.675 6.035 1.00 0.00 H new ATOM 706 N THR A 49 -7.628 -3.659 5.529 1.00 0.00 N ATOM 707 CA THR A 49 -6.488 -4.553 5.370 1.00 0.00 C ATOM 708 C THR A 49 -5.724 -4.247 4.086 1.00 0.00 C ATOM 709 O THR A 49 -6.294 -4.262 2.994 1.00 0.00 O ATOM 710 CB THR A 49 -6.928 -6.029 5.353 1.00 0.00 C ATOM 711 OG1 THR A 49 -7.532 -6.374 6.605 1.00 0.00 O ATOM 712 CG2 THR A 49 -5.744 -6.945 5.086 1.00 0.00 C ATOM 0 H THR A 49 -8.254 -3.626 4.724 1.00 0.00 H new ATOM 0 HA THR A 49 -5.835 -4.387 6.227 1.00 0.00 H new ATOM 0 HB THR A 49 -7.654 -6.159 4.551 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.811 -7.313 6.586 1.00 0.00 H new ATOM 0 HG21 THR A 49 -6.080 -7.982 5.079 1.00 0.00 H new ATOM 0 HG22 THR A 49 -5.305 -6.699 4.119 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.997 -6.811 5.868 1.00 0.00 H new ATOM 720 N LEU A 50 -4.432 -3.973 4.222 1.00 0.00 N ATOM 721 CA LEU A 50 -3.589 -3.664 3.072 1.00 0.00 C ATOM 722 C LEU A 50 -2.863 -4.912 2.579 1.00 0.00 C ATOM 723 O LEU A 50 -2.235 -5.627 3.361 1.00 0.00 O ATOM 724 CB LEU A 50 -2.574 -2.579 3.434 1.00 0.00 C ATOM 725 CG LEU A 50 -1.923 -1.850 2.260 1.00 0.00 C ATOM 726 CD1 LEU A 50 -2.880 -0.827 1.669 1.00 0.00 C ATOM 727 CD2 LEU A 50 -0.629 -1.181 2.698 1.00 0.00 C ATOM 0 H LEU A 50 -3.944 -3.958 5.118 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.231 -3.298 2.270 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -3.071 -1.841 4.064 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.786 -3.033 4.036 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.686 -2.583 1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -2.398 -0.318 0.834 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -3.780 -1.332 1.316 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -3.149 -0.097 2.432 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.180 -0.667 1.848 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.841 -0.460 3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 50 0.062 -1.936 3.072 1.00 0.00 H new ATOM 739 N VAL A 51 -2.951 -5.166 1.277 1.00 0.00 N ATOM 740 CA VAL A 51 -2.299 -6.325 0.679 1.00 0.00 C ATOM 741 C VAL A 51 -1.679 -5.973 -0.667 1.00 0.00 C ATOM 742 O VAL A 51 -1.813 -4.847 -1.150 1.00 0.00 O ATOM 743 CB VAL A 51 -3.290 -7.489 0.487 1.00 0.00 C ATOM 744 CG1 VAL A 51 -3.933 -7.868 1.812 1.00 0.00 C ATOM 745 CG2 VAL A 51 -4.348 -7.122 -0.542 1.00 0.00 C ATOM 0 H VAL A 51 -3.467 -4.585 0.617 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.513 -6.636 1.367 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.740 -8.354 0.117 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.630 -8.692 1.656 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.160 -8.175 2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -4.471 -7.009 2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.040 -7.955 -0.666 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.896 -6.243 -0.203 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.868 -6.905 -1.496 1.00 0.00 H new ATOM 755 N LEU A 52 -0.998 -6.941 -1.270 1.00 0.00 N ATOM 756 CA LEU A 52 -0.357 -6.734 -2.564 1.00 0.00 C ATOM 757 C LEU A 52 -1.362 -6.880 -3.701 1.00 0.00 C ATOM 758 O LEU A 52 -2.199 -7.783 -3.690 1.00 0.00 O ATOM 759 CB LEU A 52 0.790 -7.728 -2.752 1.00 0.00 C ATOM 760 CG LEU A 52 1.876 -7.712 -1.675 1.00 0.00 C ATOM 761 CD1 LEU A 52 2.895 -8.812 -1.927 1.00 0.00 C ATOM 762 CD2 LEU A 52 2.558 -6.353 -1.626 1.00 0.00 C ATOM 0 H LEU A 52 -0.875 -7.877 -0.884 1.00 0.00 H new ATOM 0 HA LEU A 52 0.041 -5.720 -2.585 1.00 0.00 H new ATOM 0 HB2 LEU A 52 0.369 -8.732 -2.801 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.260 -7.532 -3.716 1.00 0.00 H new ATOM 0 HG LEU A 52 1.405 -7.896 -0.709 1.00 0.00 H new ATOM 0 HD11 LEU A 52 3.660 -8.785 -1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.396 -9.781 -1.911 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.361 -8.660 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 52 3.328 -6.360 -0.854 1.00 0.00 H new ATOM 0 HD22 LEU A 52 3.015 -6.140 -2.592 1.00 0.00 H new ATOM 0 HD23 LEU A 52 1.821 -5.584 -1.396 1.00 0.00 H new ATOM 774 N GLU A 53 -1.273 -5.987 -4.683 1.00 0.00 N ATOM 775 CA GLU A 53 -2.175 -6.020 -5.828 1.00 0.00 C ATOM 776 C GLU A 53 -1.693 -7.021 -6.872 1.00 0.00 C ATOM 777 O GLU A 53 -2.097 -6.964 -8.033 1.00 0.00 O ATOM 778 CB GLU A 53 -2.289 -4.628 -6.454 1.00 0.00 C ATOM 779 CG GLU A 53 -3.502 -4.463 -7.354 1.00 0.00 C ATOM 780 CD GLU A 53 -4.793 -4.316 -6.573 1.00 0.00 C ATOM 781 OE1 GLU A 53 -5.047 -3.212 -6.048 1.00 0.00 O ATOM 782 OE2 GLU A 53 -5.550 -5.305 -6.486 1.00 0.00 O ATOM 0 H GLU A 53 -0.586 -5.233 -4.708 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.157 -6.335 -5.476 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -2.333 -3.884 -5.659 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -1.388 -4.424 -7.032 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.363 -3.587 -7.987 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -3.579 -5.326 -8.016 1.00 0.00 H new ATOM 789 N GLU A 54 -0.827 -7.938 -6.450 1.00 0.00 N ATOM 790 CA GLU A 54 -0.289 -8.952 -7.350 1.00 0.00 C ATOM 791 C GLU A 54 -0.840 -10.332 -7.005 1.00 0.00 C ATOM 792 O GLU A 54 -1.320 -11.056 -7.878 1.00 0.00 O ATOM 793 CB GLU A 54 1.239 -8.969 -7.279 1.00 0.00 C ATOM 794 CG GLU A 54 1.781 -9.462 -5.948 1.00 0.00 C ATOM 795 CD GLU A 54 3.265 -9.191 -5.786 1.00 0.00 C ATOM 796 OE1 GLU A 54 3.711 -8.088 -6.167 1.00 0.00 O ATOM 797 OE2 GLU A 54 3.979 -10.081 -5.279 1.00 0.00 O ATOM 0 H GLU A 54 -0.483 -7.999 -5.492 1.00 0.00 H new ATOM 0 HA GLU A 54 -0.596 -8.700 -8.365 1.00 0.00 H new ATOM 0 HB2 GLU A 54 1.624 -9.604 -8.076 1.00 0.00 H new ATOM 0 HB3 GLU A 54 1.614 -7.962 -7.464 1.00 0.00 H new ATOM 0 HG2 GLU A 54 1.237 -8.979 -5.137 1.00 0.00 H new ATOM 0 HG3 GLU A 54 1.599 -10.533 -5.860 1.00 0.00 H new ATOM 804 N ASP A 55 -0.769 -10.690 -5.728 1.00 0.00 N ATOM 805 CA ASP A 55 -1.261 -11.983 -5.268 1.00 0.00 C ATOM 806 C ASP A 55 -2.279 -11.808 -4.144 1.00 0.00 C ATOM 807 O ASP A 55 -3.104 -12.687 -3.899 1.00 0.00 O ATOM 808 CB ASP A 55 -0.099 -12.854 -4.788 1.00 0.00 C ATOM 809 CG ASP A 55 0.629 -13.528 -5.935 1.00 0.00 C ATOM 810 OD1 ASP A 55 0.122 -14.551 -6.439 1.00 0.00 O ATOM 811 OD2 ASP A 55 1.707 -13.034 -6.327 1.00 0.00 O ATOM 0 H ASP A 55 -0.375 -10.103 -4.993 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.752 -12.476 -6.107 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.604 -12.240 -4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -0.476 -13.614 -4.104 1.00 0.00 H new ATOM 816 N GLY A 56 -2.212 -10.667 -3.464 1.00 0.00 N ATOM 817 CA GLY A 56 -3.132 -10.399 -2.374 1.00 0.00 C ATOM 818 C GLY A 56 -2.542 -10.740 -1.020 1.00 0.00 C ATOM 819 O GLY A 56 -3.259 -11.149 -0.106 1.00 0.00 O ATOM 0 H GLY A 56 -1.538 -9.924 -3.648 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.412 -9.346 -2.390 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.046 -10.974 -2.524 1.00 0.00 H new ATOM 823 N THR A 57 -1.229 -10.573 -0.890 1.00 0.00 N ATOM 824 CA THR A 57 -0.541 -10.869 0.361 1.00 0.00 C ATOM 825 C THR A 57 -0.585 -9.675 1.308 1.00 0.00 C ATOM 826 O THR A 57 -0.030 -8.617 1.015 1.00 0.00 O ATOM 827 CB THR A 57 0.927 -11.262 0.116 1.00 0.00 C ATOM 828 OG1 THR A 57 0.995 -12.358 -0.804 1.00 0.00 O ATOM 829 CG2 THR A 57 1.610 -11.645 1.421 1.00 0.00 C ATOM 0 H THR A 57 -0.621 -10.234 -1.636 1.00 0.00 H new ATOM 0 HA THR A 57 -1.063 -11.711 0.817 1.00 0.00 H new ATOM 0 HB THR A 57 1.444 -10.401 -0.307 1.00 0.00 H new ATOM 0 HG1 THR A 57 1.932 -12.600 -0.955 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.646 -11.919 1.223 1.00 0.00 H new ATOM 0 HG22 THR A 57 1.583 -10.799 2.108 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.090 -12.492 1.869 1.00 0.00 H new ATOM 837 N VAL A 58 -1.249 -9.852 2.446 1.00 0.00 N ATOM 838 CA VAL A 58 -1.363 -8.790 3.438 1.00 0.00 C ATOM 839 C VAL A 58 0.007 -8.381 3.966 1.00 0.00 C ATOM 840 O VAL A 58 0.761 -9.210 4.475 1.00 0.00 O ATOM 841 CB VAL A 58 -2.251 -9.219 4.622 1.00 0.00 C ATOM 842 CG1 VAL A 58 -1.809 -10.573 5.156 1.00 0.00 C ATOM 843 CG2 VAL A 58 -2.219 -8.167 5.720 1.00 0.00 C ATOM 0 H VAL A 58 -1.716 -10.721 2.704 1.00 0.00 H new ATOM 0 HA VAL A 58 -1.825 -7.939 2.938 1.00 0.00 H new ATOM 0 HB VAL A 58 -3.278 -9.311 4.270 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.447 -10.860 5.992 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -1.888 -11.319 4.366 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -0.775 -10.511 5.494 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -2.852 -8.486 6.548 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -1.195 -8.040 6.073 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -2.587 -7.219 5.327 1.00 0.00 H new ATOM 853 N VAL A 59 0.324 -7.096 3.842 1.00 0.00 N ATOM 854 CA VAL A 59 1.603 -6.575 4.309 1.00 0.00 C ATOM 855 C VAL A 59 1.482 -5.995 5.714 1.00 0.00 C ATOM 856 O VAL A 59 1.135 -4.827 5.886 1.00 0.00 O ATOM 857 CB VAL A 59 2.146 -5.488 3.362 1.00 0.00 C ATOM 858 CG1 VAL A 59 3.575 -5.122 3.734 1.00 0.00 C ATOM 859 CG2 VAL A 59 2.064 -5.953 1.916 1.00 0.00 C ATOM 0 H VAL A 59 -0.288 -6.396 3.422 1.00 0.00 H new ATOM 0 HA VAL A 59 2.299 -7.414 4.325 1.00 0.00 H new ATOM 0 HB VAL A 59 1.529 -4.596 3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.942 -4.353 3.055 1.00 0.00 H new ATOM 0 HG12 VAL A 59 3.600 -4.745 4.756 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.208 -6.006 3.658 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.452 -5.173 1.260 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.656 -6.859 1.791 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.025 -6.160 1.659 1.00 0.00 H new ATOM 869 N ASP A 60 1.769 -6.820 6.715 1.00 0.00 N ATOM 870 CA ASP A 60 1.693 -6.390 8.106 1.00 0.00 C ATOM 871 C ASP A 60 3.073 -6.413 8.757 1.00 0.00 C ATOM 872 O ASP A 60 3.193 -6.469 9.982 1.00 0.00 O ATOM 873 CB ASP A 60 0.730 -7.285 8.888 1.00 0.00 C ATOM 874 CG ASP A 60 0.067 -6.556 10.039 1.00 0.00 C ATOM 875 OD1 ASP A 60 -0.149 -5.331 9.919 1.00 0.00 O ATOM 876 OD2 ASP A 60 -0.234 -7.207 11.061 1.00 0.00 O ATOM 0 H ASP A 60 2.056 -7.790 6.589 1.00 0.00 H new ATOM 0 HA ASP A 60 1.319 -5.366 8.125 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -0.037 -7.666 8.213 1.00 0.00 H new ATOM 0 HB3 ASP A 60 1.273 -8.148 9.273 1.00 0.00 H new ATOM 881 N THR A 61 4.113 -6.371 7.931 1.00 0.00 N ATOM 882 CA THR A 61 5.484 -6.391 8.426 1.00 0.00 C ATOM 883 C THR A 61 6.303 -5.257 7.820 1.00 0.00 C ATOM 884 O THR A 61 6.174 -4.951 6.635 1.00 0.00 O ATOM 885 CB THR A 61 6.175 -7.731 8.115 1.00 0.00 C ATOM 886 OG1 THR A 61 5.775 -8.201 6.822 1.00 0.00 O ATOM 887 CG2 THR A 61 5.833 -8.775 9.167 1.00 0.00 C ATOM 0 H THR A 61 4.032 -6.323 6.915 1.00 0.00 H new ATOM 0 HA THR A 61 5.431 -6.261 9.507 1.00 0.00 H new ATOM 0 HB THR A 61 7.253 -7.568 8.125 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.220 -9.053 6.631 1.00 0.00 H new ATOM 0 HG21 THR A 61 6.333 -9.713 8.925 1.00 0.00 H new ATOM 0 HG22 THR A 61 6.166 -8.428 10.145 1.00 0.00 H new ATOM 0 HG23 THR A 61 4.755 -8.933 9.186 1.00 0.00 H new ATOM 895 N GLU A 62 7.145 -4.637 8.641 1.00 0.00 N ATOM 896 CA GLU A 62 7.985 -3.536 8.184 1.00 0.00 C ATOM 897 C GLU A 62 9.153 -4.053 7.348 1.00 0.00 C ATOM 898 O GLU A 62 9.535 -3.440 6.352 1.00 0.00 O ATOM 899 CB GLU A 62 8.514 -2.739 9.378 1.00 0.00 C ATOM 900 CG GLU A 62 9.044 -1.364 9.006 1.00 0.00 C ATOM 901 CD GLU A 62 9.399 -0.527 10.219 1.00 0.00 C ATOM 902 OE1 GLU A 62 10.160 -1.020 11.077 1.00 0.00 O ATOM 903 OE2 GLU A 62 8.915 0.620 10.310 1.00 0.00 O ATOM 0 H GLU A 62 7.263 -4.878 9.625 1.00 0.00 H new ATOM 0 HA GLU A 62 7.375 -2.882 7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 62 7.715 -2.625 10.111 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.309 -3.308 9.860 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.927 -1.477 8.377 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.295 -0.838 8.413 1.00 0.00 H new ATOM 910 N GLU A 63 9.713 -5.185 7.761 1.00 0.00 N ATOM 911 CA GLU A 63 10.838 -5.784 7.051 1.00 0.00 C ATOM 912 C GLU A 63 10.452 -6.131 5.616 1.00 0.00 C ATOM 913 O GLU A 63 11.286 -6.099 4.712 1.00 0.00 O ATOM 914 CB GLU A 63 11.319 -7.040 7.780 1.00 0.00 C ATOM 915 CG GLU A 63 10.319 -8.184 7.748 1.00 0.00 C ATOM 916 CD GLU A 63 10.916 -9.494 8.224 1.00 0.00 C ATOM 917 OE1 GLU A 63 10.885 -9.752 9.445 1.00 0.00 O ATOM 918 OE2 GLU A 63 11.415 -10.262 7.374 1.00 0.00 O ATOM 0 H GLU A 63 9.407 -5.706 8.583 1.00 0.00 H new ATOM 0 HA GLU A 63 11.648 -5.056 7.025 1.00 0.00 H new ATOM 0 HB2 GLU A 63 12.255 -7.374 7.332 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.535 -6.787 8.818 1.00 0.00 H new ATOM 0 HG2 GLU A 63 9.463 -7.931 8.373 1.00 0.00 H new ATOM 0 HG3 GLU A 63 9.946 -8.307 6.731 1.00 0.00 H new ATOM 925 N PHE A 64 9.181 -6.467 5.416 1.00 0.00 N ATOM 926 CA PHE A 64 8.684 -6.822 4.092 1.00 0.00 C ATOM 927 C PHE A 64 8.329 -5.573 3.291 1.00 0.00 C ATOM 928 O PHE A 64 8.357 -5.583 2.060 1.00 0.00 O ATOM 929 CB PHE A 64 7.459 -7.731 4.211 1.00 0.00 C ATOM 930 CG PHE A 64 6.984 -8.273 2.894 1.00 0.00 C ATOM 931 CD1 PHE A 64 7.884 -8.802 1.982 1.00 0.00 C ATOM 932 CD2 PHE A 64 5.638 -8.253 2.565 1.00 0.00 C ATOM 933 CE1 PHE A 64 7.450 -9.301 0.769 1.00 0.00 C ATOM 934 CE2 PHE A 64 5.198 -8.752 1.354 1.00 0.00 C ATOM 935 CZ PHE A 64 6.106 -9.276 0.454 1.00 0.00 C ATOM 0 H PHE A 64 8.477 -6.501 6.154 1.00 0.00 H new ATOM 0 HA PHE A 64 9.475 -7.357 3.566 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.698 -8.564 4.873 1.00 0.00 H new ATOM 0 HB3 PHE A 64 6.648 -7.174 4.679 1.00 0.00 H new ATOM 0 HD1 PHE A 64 8.937 -8.824 2.222 1.00 0.00 H new ATOM 0 HD2 PHE A 64 4.924 -7.842 3.264 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.162 -9.710 0.067 1.00 0.00 H new ATOM 0 HE2 PHE A 64 4.146 -8.732 1.111 1.00 0.00 H new ATOM 0 HZ PHE A 64 5.765 -9.665 -0.494 1.00 0.00 H new ATOM 945 N PHE A 65 7.996 -4.498 3.998 1.00 0.00 N ATOM 946 CA PHE A 65 7.633 -3.241 3.354 1.00 0.00 C ATOM 947 C PHE A 65 8.879 -2.463 2.940 1.00 0.00 C ATOM 948 O PHE A 65 8.828 -1.620 2.046 1.00 0.00 O ATOM 949 CB PHE A 65 6.776 -2.391 4.293 1.00 0.00 C ATOM 950 CG PHE A 65 6.756 -0.933 3.933 1.00 0.00 C ATOM 951 CD1 PHE A 65 7.857 -0.129 4.184 1.00 0.00 C ATOM 952 CD2 PHE A 65 5.639 -0.366 3.342 1.00 0.00 C ATOM 953 CE1 PHE A 65 7.842 1.212 3.854 1.00 0.00 C ATOM 954 CE2 PHE A 65 5.618 0.976 3.010 1.00 0.00 C ATOM 955 CZ PHE A 65 6.722 1.765 3.265 1.00 0.00 C ATOM 0 H PHE A 65 7.970 -4.472 5.017 1.00 0.00 H new ATOM 0 HA PHE A 65 7.057 -3.473 2.459 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.755 -2.773 4.285 1.00 0.00 H new ATOM 0 HB3 PHE A 65 7.149 -2.500 5.311 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.736 -0.556 4.643 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.774 -0.980 3.138 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.706 1.828 4.056 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.740 1.406 2.552 1.00 0.00 H new ATOM 0 HZ PHE A 65 6.710 2.813 3.004 1.00 0.00 H new ATOM 965 N GLN A 66 9.996 -2.753 3.600 1.00 0.00 N ATOM 966 CA GLN A 66 11.255 -2.079 3.302 1.00 0.00 C ATOM 967 C GLN A 66 11.931 -2.703 2.085 1.00 0.00 C ATOM 968 O GLN A 66 12.882 -2.146 1.536 1.00 0.00 O ATOM 969 CB GLN A 66 12.191 -2.146 4.510 1.00 0.00 C ATOM 970 CG GLN A 66 11.675 -1.385 5.721 1.00 0.00 C ATOM 971 CD GLN A 66 11.978 0.099 5.650 1.00 0.00 C ATOM 972 OE1 GLN A 66 13.032 0.507 5.162 1.00 0.00 O ATOM 973 NE2 GLN A 66 11.051 0.916 6.137 1.00 0.00 N ATOM 0 H GLN A 66 10.055 -3.449 4.343 1.00 0.00 H new ATOM 0 HA GLN A 66 11.036 -1.035 3.078 1.00 0.00 H new ATOM 0 HB2 GLN A 66 12.343 -3.190 4.785 1.00 0.00 H new ATOM 0 HB3 GLN A 66 13.165 -1.746 4.228 1.00 0.00 H new ATOM 0 HG2 GLN A 66 10.598 -1.528 5.804 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.122 -1.800 6.624 1.00 0.00 H new ATOM 0 HE21 GLN A 66 10.192 0.534 6.532 1.00 0.00 H new ATOM 0 HE22 GLN A 66 11.198 1.925 6.116 1.00 0.00 H new ATOM 982 N THR A 67 11.434 -3.863 1.667 1.00 0.00 N ATOM 983 CA THR A 67 11.991 -4.563 0.517 1.00 0.00 C ATOM 984 C THR A 67 11.256 -4.186 -0.765 1.00 0.00 C ATOM 985 O THR A 67 11.844 -4.165 -1.847 1.00 0.00 O ATOM 986 CB THR A 67 11.924 -6.091 0.702 1.00 0.00 C ATOM 987 OG1 THR A 67 10.561 -6.510 0.832 1.00 0.00 O ATOM 988 CG2 THR A 67 12.712 -6.522 1.931 1.00 0.00 C ATOM 0 H THR A 67 10.646 -4.337 2.108 1.00 0.00 H new ATOM 0 HA THR A 67 13.035 -4.259 0.438 1.00 0.00 H new ATOM 0 HB THR A 67 12.365 -6.561 -0.177 1.00 0.00 H new ATOM 0 HG1 THR A 67 10.027 -5.776 1.201 1.00 0.00 H new ATOM 0 HG21 THR A 67 12.650 -7.605 2.041 1.00 0.00 H new ATOM 0 HG22 THR A 67 13.755 -6.228 1.816 1.00 0.00 H new ATOM 0 HG23 THR A 67 12.295 -6.043 2.817 1.00 0.00 H new ATOM 996 N LEU A 68 9.968 -3.887 -0.636 1.00 0.00 N ATOM 997 CA LEU A 68 9.152 -3.509 -1.785 1.00 0.00 C ATOM 998 C LEU A 68 9.787 -2.350 -2.546 1.00 0.00 C ATOM 999 O LEU A 68 10.239 -1.375 -1.948 1.00 0.00 O ATOM 1000 CB LEU A 68 7.743 -3.124 -1.330 1.00 0.00 C ATOM 1001 CG LEU A 68 6.981 -4.186 -0.536 1.00 0.00 C ATOM 1002 CD1 LEU A 68 5.807 -3.560 0.201 1.00 0.00 C ATOM 1003 CD2 LEU A 68 6.503 -5.299 -1.457 1.00 0.00 C ATOM 0 H LEU A 68 9.466 -3.899 0.252 1.00 0.00 H new ATOM 0 HA LEU A 68 9.090 -4.368 -2.453 1.00 0.00 H new ATOM 0 HB2 LEU A 68 7.813 -2.223 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 68 7.156 -2.867 -2.211 1.00 0.00 H new ATOM 0 HG LEU A 68 7.658 -4.618 0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 68 5.276 -4.330 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 68 6.174 -2.799 0.890 1.00 0.00 H new ATOM 0 HD13 LEU A 68 5.128 -3.102 -0.518 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.963 -6.046 -0.875 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.842 -4.883 -2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.362 -5.766 -1.939 1.00 0.00 H new ATOM 1015 N GLY A 69 9.816 -2.463 -3.871 1.00 0.00 N ATOM 1016 CA GLY A 69 10.396 -1.416 -4.692 1.00 0.00 C ATOM 1017 C GLY A 69 9.544 -0.163 -4.721 1.00 0.00 C ATOM 1018 O GLY A 69 8.634 -0.005 -3.908 1.00 0.00 O ATOM 0 H GLY A 69 9.448 -3.260 -4.390 1.00 0.00 H new ATOM 0 HA2 GLY A 69 11.388 -1.169 -4.313 1.00 0.00 H new ATOM 0 HA3 GLY A 69 10.527 -1.786 -5.709 1.00 0.00 H new ATOM 1022 N ASP A 70 9.841 0.730 -5.659 1.00 0.00 N ATOM 1023 CA ASP A 70 9.095 1.977 -5.791 1.00 0.00 C ATOM 1024 C ASP A 70 7.814 1.762 -6.591 1.00 0.00 C ATOM 1025 O ASP A 70 7.703 0.808 -7.358 1.00 0.00 O ATOM 1026 CB ASP A 70 9.959 3.044 -6.464 1.00 0.00 C ATOM 1027 CG ASP A 70 10.749 2.494 -7.636 1.00 0.00 C ATOM 1028 OD1 ASP A 70 11.867 1.983 -7.410 1.00 0.00 O ATOM 1029 OD2 ASP A 70 10.251 2.575 -8.778 1.00 0.00 O ATOM 0 H ASP A 70 10.592 0.614 -6.339 1.00 0.00 H new ATOM 0 HA ASP A 70 8.824 2.317 -4.792 1.00 0.00 H new ATOM 0 HB2 ASP A 70 9.322 3.859 -6.809 1.00 0.00 H new ATOM 0 HB3 ASP A 70 10.647 3.466 -5.731 1.00 0.00 H new ATOM 1034 N ASN A 71 6.849 2.656 -6.404 1.00 0.00 N ATOM 1035 CA ASN A 71 5.575 2.564 -7.108 1.00 0.00 C ATOM 1036 C ASN A 71 4.991 1.159 -6.994 1.00 0.00 C ATOM 1037 O ASN A 71 4.608 0.550 -7.993 1.00 0.00 O ATOM 1038 CB ASN A 71 5.754 2.936 -8.581 1.00 0.00 C ATOM 1039 CG ASN A 71 6.017 4.417 -8.774 1.00 0.00 C ATOM 1040 OD1 ASN A 71 5.102 5.190 -9.060 1.00 0.00 O ATOM 1041 ND2 ASN A 71 7.273 4.819 -8.620 1.00 0.00 N ATOM 0 H ASN A 71 6.925 3.452 -5.771 1.00 0.00 H new ATOM 0 HA ASN A 71 4.881 3.266 -6.645 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.583 2.365 -8.999 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.860 2.653 -9.136 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.512 5.804 -8.739 1.00 0.00 H new ATOM 0 HD22 ASN A 71 7.999 4.143 -8.383 1.00 0.00 H new ATOM 1048 N THR A 72 4.927 0.647 -5.768 1.00 0.00 N ATOM 1049 CA THR A 72 4.392 -0.685 -5.523 1.00 0.00 C ATOM 1050 C THR A 72 2.869 -0.661 -5.449 1.00 0.00 C ATOM 1051 O THR A 72 2.287 0.087 -4.663 1.00 0.00 O ATOM 1052 CB THR A 72 4.947 -1.283 -4.216 1.00 0.00 C ATOM 1053 OG1 THR A 72 6.372 -1.401 -4.300 1.00 0.00 O ATOM 1054 CG2 THR A 72 4.335 -2.648 -3.941 1.00 0.00 C ATOM 0 H THR A 72 5.240 1.136 -4.929 1.00 0.00 H new ATOM 0 HA THR A 72 4.704 -1.309 -6.361 1.00 0.00 H new ATOM 0 HB THR A 72 4.685 -0.615 -3.396 1.00 0.00 H new ATOM 0 HG1 THR A 72 6.786 -0.544 -4.065 1.00 0.00 H new ATOM 0 HG21 THR A 72 4.743 -3.049 -3.013 1.00 0.00 H new ATOM 0 HG22 THR A 72 3.253 -2.550 -3.850 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.570 -3.324 -4.763 1.00 0.00 H new ATOM 1062 N HIS A 73 2.229 -1.485 -6.274 1.00 0.00 N ATOM 1063 CA HIS A 73 0.771 -1.558 -6.300 1.00 0.00 C ATOM 1064 C HIS A 73 0.241 -2.279 -5.065 1.00 0.00 C ATOM 1065 O HIS A 73 0.745 -3.337 -4.686 1.00 0.00 O ATOM 1066 CB HIS A 73 0.300 -2.276 -7.566 1.00 0.00 C ATOM 1067 CG HIS A 73 -1.040 -1.816 -8.051 1.00 0.00 C ATOM 1068 ND1 HIS A 73 -1.652 -2.332 -9.173 1.00 0.00 N ATOM 1069 CD2 HIS A 73 -1.887 -0.881 -7.559 1.00 0.00 C ATOM 1070 CE1 HIS A 73 -2.817 -1.735 -9.351 1.00 0.00 C ATOM 1071 NE2 HIS A 73 -2.983 -0.849 -8.385 1.00 0.00 N ATOM 0 H HIS A 73 2.695 -2.110 -6.932 1.00 0.00 H new ATOM 0 HA HIS A 73 0.380 -0.541 -6.300 1.00 0.00 H new ATOM 0 HB2 HIS A 73 1.035 -2.123 -8.356 1.00 0.00 H new ATOM 0 HB3 HIS A 73 0.259 -3.348 -7.372 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -1.730 -0.273 -6.680 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -3.515 -1.937 -10.150 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -3.794 -0.240 -8.271 1.00 0.00 H new ATOM 1080 N PHE A 74 -0.778 -1.698 -4.440 1.00 0.00 N ATOM 1081 CA PHE A 74 -1.375 -2.284 -3.246 1.00 0.00 C ATOM 1082 C PHE A 74 -2.888 -2.410 -3.400 1.00 0.00 C ATOM 1083 O PHE A 74 -3.485 -1.803 -4.289 1.00 0.00 O ATOM 1084 CB PHE A 74 -1.046 -1.436 -2.015 1.00 0.00 C ATOM 1085 CG PHE A 74 0.413 -1.442 -1.656 1.00 0.00 C ATOM 1086 CD1 PHE A 74 1.108 -2.635 -1.547 1.00 0.00 C ATOM 1087 CD2 PHE A 74 1.089 -0.253 -1.430 1.00 0.00 C ATOM 1088 CE1 PHE A 74 2.450 -2.643 -1.216 1.00 0.00 C ATOM 1089 CE2 PHE A 74 2.430 -0.255 -1.099 1.00 0.00 C ATOM 1090 CZ PHE A 74 3.112 -1.451 -0.994 1.00 0.00 C ATOM 0 H PHE A 74 -1.207 -0.823 -4.740 1.00 0.00 H new ATOM 0 HA PHE A 74 -0.956 -3.281 -3.114 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.363 -0.409 -2.196 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -1.623 -1.803 -1.166 1.00 0.00 H new ATOM 0 HD1 PHE A 74 0.596 -3.569 -1.723 1.00 0.00 H new ATOM 0 HD2 PHE A 74 0.561 0.685 -1.514 1.00 0.00 H new ATOM 0 HE1 PHE A 74 2.980 -3.580 -1.131 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.945 0.678 -0.922 1.00 0.00 H new ATOM 0 HZ PHE A 74 4.161 -1.455 -0.739 1.00 0.00 H new ATOM 1100 N MET A 75 -3.503 -3.203 -2.527 1.00 0.00 N ATOM 1101 CA MET A 75 -4.946 -3.407 -2.566 1.00 0.00 C ATOM 1102 C MET A 75 -5.556 -3.241 -1.178 1.00 0.00 C ATOM 1103 O MET A 75 -5.170 -3.931 -0.234 1.00 0.00 O ATOM 1104 CB MET A 75 -5.270 -4.797 -3.116 1.00 0.00 C ATOM 1105 CG MET A 75 -6.642 -5.309 -2.704 1.00 0.00 C ATOM 1106 SD MET A 75 -7.980 -4.249 -3.285 1.00 0.00 S ATOM 1107 CE MET A 75 -8.157 -4.821 -4.974 1.00 0.00 C ATOM 0 H MET A 75 -3.024 -3.714 -1.785 1.00 0.00 H new ATOM 0 HA MET A 75 -5.378 -2.654 -3.225 1.00 0.00 H new ATOM 0 HB2 MET A 75 -5.213 -4.771 -4.204 1.00 0.00 H new ATOM 0 HB3 MET A 75 -4.511 -5.500 -2.774 1.00 0.00 H new ATOM 0 HG2 MET A 75 -6.784 -6.315 -3.098 1.00 0.00 H new ATOM 0 HG3 MET A 75 -6.687 -5.383 -1.617 1.00 0.00 H new ATOM 0 HE1 MET A 75 -9.213 -4.968 -5.199 1.00 0.00 H new ATOM 0 HE2 MET A 75 -7.741 -4.079 -5.655 1.00 0.00 H new ATOM 0 HE3 MET A 75 -7.625 -5.764 -5.096 1.00 0.00 H new ATOM 1117 N ILE A 76 -6.509 -2.322 -1.062 1.00 0.00 N ATOM 1118 CA ILE A 76 -7.172 -2.067 0.211 1.00 0.00 C ATOM 1119 C ILE A 76 -8.520 -2.776 0.281 1.00 0.00 C ATOM 1120 O ILE A 76 -9.265 -2.815 -0.700 1.00 0.00 O ATOM 1121 CB ILE A 76 -7.385 -0.559 0.442 1.00 0.00 C ATOM 1122 CG1 ILE A 76 -7.580 -0.272 1.933 1.00 0.00 C ATOM 1123 CG2 ILE A 76 -8.580 -0.063 -0.359 1.00 0.00 C ATOM 1124 CD1 ILE A 76 -6.281 -0.123 2.694 1.00 0.00 C ATOM 0 H ILE A 76 -6.839 -1.742 -1.834 1.00 0.00 H new ATOM 0 HA ILE A 76 -6.518 -2.457 0.991 1.00 0.00 H new ATOM 0 HB ILE A 76 -6.498 -0.026 0.101 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.165 0.641 2.046 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -8.162 -1.080 2.377 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -8.717 1.004 -0.185 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -8.404 -0.238 -1.420 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -9.476 -0.600 -0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -6.495 0.079 3.743 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -5.704 -1.044 2.612 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.707 0.704 2.275 1.00 0.00 H new ATOM 1136 N LEU A 77 -8.829 -3.333 1.446 1.00 0.00 N ATOM 1137 CA LEU A 77 -10.090 -4.041 1.645 1.00 0.00 C ATOM 1138 C LEU A 77 -10.721 -3.662 2.982 1.00 0.00 C ATOM 1139 O LEU A 77 -10.032 -3.557 3.995 1.00 0.00 O ATOM 1140 CB LEU A 77 -9.865 -5.552 1.583 1.00 0.00 C ATOM 1141 CG LEU A 77 -9.130 -6.071 0.347 1.00 0.00 C ATOM 1142 CD1 LEU A 77 -8.630 -7.488 0.579 1.00 0.00 C ATOM 1143 CD2 LEU A 77 -10.037 -6.017 -0.874 1.00 0.00 C ATOM 0 H LEU A 77 -8.225 -3.309 2.267 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.772 -3.750 0.847 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -9.303 -5.852 2.468 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.835 -6.046 1.638 1.00 0.00 H new ATOM 0 HG LEU A 77 -8.268 -5.429 0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -8.110 -7.841 -0.311 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -7.946 -7.498 1.427 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -9.476 -8.143 0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -9.498 -6.390 -1.745 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.918 -6.635 -0.701 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.346 -4.987 -1.052 1.00 0.00 H new ATOM 1155 N GLU A 78 -12.035 -3.463 2.975 1.00 0.00 N ATOM 1156 CA GLU A 78 -12.758 -3.099 4.187 1.00 0.00 C ATOM 1157 C GLU A 78 -13.135 -4.341 4.989 1.00 0.00 C ATOM 1158 O GLU A 78 -12.909 -5.470 4.552 1.00 0.00 O ATOM 1159 CB GLU A 78 -14.017 -2.303 3.838 1.00 0.00 C ATOM 1160 CG GLU A 78 -13.726 -0.946 3.218 1.00 0.00 C ATOM 1161 CD GLU A 78 -13.445 -1.032 1.731 1.00 0.00 C ATOM 1162 OE1 GLU A 78 -12.307 -1.391 1.361 1.00 0.00 O ATOM 1163 OE2 GLU A 78 -14.364 -0.742 0.936 1.00 0.00 O ATOM 0 H GLU A 78 -12.620 -3.548 2.144 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.102 -2.478 4.797 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.626 -2.886 3.147 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.609 -2.161 4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.576 -0.284 3.386 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.869 -0.497 3.720 1.00 0.00 H new ATOM 1170 N LYS A 79 -13.710 -4.125 6.168 1.00 0.00 N ATOM 1171 CA LYS A 79 -14.120 -5.225 7.033 1.00 0.00 C ATOM 1172 C LYS A 79 -15.160 -6.102 6.342 1.00 0.00 C ATOM 1173 O LYS A 79 -16.358 -5.971 6.587 1.00 0.00 O ATOM 1174 CB LYS A 79 -14.686 -4.684 8.347 1.00 0.00 C ATOM 1175 CG LYS A 79 -15.164 -5.769 9.296 1.00 0.00 C ATOM 1176 CD LYS A 79 -16.029 -5.197 10.407 1.00 0.00 C ATOM 1177 CE LYS A 79 -15.182 -4.628 11.536 1.00 0.00 C ATOM 1178 NZ LYS A 79 -14.510 -5.701 12.321 1.00 0.00 N ATOM 0 H LYS A 79 -13.903 -3.197 6.546 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.241 -5.833 7.246 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -13.920 -4.089 8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.517 -4.014 8.126 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -15.731 -6.516 8.740 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -14.304 -6.279 9.729 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -16.672 -4.415 10.003 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -16.683 -5.976 10.798 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.430 -3.956 11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.812 -4.034 12.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -14.187 -5.315 13.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -15.180 -6.477 12.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -13.693 -6.061 11.788 1.00 0.00 H new ATOM 1192 N GLY A 80 -14.692 -6.998 5.478 1.00 0.00 N ATOM 1193 CA GLY A 80 -15.595 -7.884 4.766 1.00 0.00 C ATOM 1194 C GLY A 80 -15.328 -7.908 3.274 1.00 0.00 C ATOM 1195 O GLY A 80 -16.259 -7.975 2.473 1.00 0.00 O ATOM 0 H GLY A 80 -13.704 -7.126 5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -15.498 -8.894 5.165 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -16.623 -7.568 4.943 1.00 0.00 H new ATOM 1199 N GLN A 81 -14.053 -7.849 2.902 1.00 0.00 N ATOM 1200 CA GLN A 81 -13.668 -7.861 1.496 1.00 0.00 C ATOM 1201 C GLN A 81 -12.354 -8.610 1.298 1.00 0.00 C ATOM 1202 O GLN A 81 -11.461 -8.552 2.143 1.00 0.00 O ATOM 1203 CB GLN A 81 -13.539 -6.432 0.968 1.00 0.00 C ATOM 1204 CG GLN A 81 -14.855 -5.670 0.946 1.00 0.00 C ATOM 1205 CD GLN A 81 -14.899 -4.614 -0.141 1.00 0.00 C ATOM 1206 OE1 GLN A 81 -15.172 -4.914 -1.304 1.00 0.00 O ATOM 1207 NE2 GLN A 81 -14.631 -3.368 0.232 1.00 0.00 N ATOM 0 H GLN A 81 -13.270 -7.793 3.554 1.00 0.00 H new ATOM 0 HA GLN A 81 -14.448 -8.378 0.936 1.00 0.00 H new ATOM 0 HB2 GLN A 81 -12.824 -5.888 1.586 1.00 0.00 H new ATOM 0 HB3 GLN A 81 -13.129 -6.462 -0.042 1.00 0.00 H new ATOM 0 HG2 GLN A 81 -15.675 -6.373 0.798 1.00 0.00 H new ATOM 0 HG3 GLN A 81 -15.012 -5.196 1.915 1.00 0.00 H new ATOM 0 HE21 GLN A 81 -14.410 -3.164 1.207 1.00 0.00 H new ATOM 0 HE22 GLN A 81 -14.647 -2.615 -0.456 1.00 0.00 H new ATOM 1216 N LYS A 82 -12.244 -9.313 0.176 1.00 0.00 N ATOM 1217 CA LYS A 82 -11.039 -10.073 -0.135 1.00 0.00 C ATOM 1218 C LYS A 82 -10.354 -9.522 -1.381 1.00 0.00 C ATOM 1219 O LYS A 82 -10.954 -8.771 -2.150 1.00 0.00 O ATOM 1220 CB LYS A 82 -11.381 -11.551 -0.340 1.00 0.00 C ATOM 1221 CG LYS A 82 -12.350 -11.797 -1.483 1.00 0.00 C ATOM 1222 CD LYS A 82 -12.667 -13.275 -1.636 1.00 0.00 C ATOM 1223 CE LYS A 82 -13.724 -13.511 -2.704 1.00 0.00 C ATOM 1224 NZ LYS A 82 -14.169 -14.932 -2.739 1.00 0.00 N ATOM 0 H LYS A 82 -12.975 -9.372 -0.533 1.00 0.00 H new ATOM 0 HA LYS A 82 -10.353 -9.978 0.707 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -10.462 -12.105 -0.528 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -11.810 -11.947 0.580 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -13.272 -11.243 -1.306 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -11.923 -11.417 -2.411 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -11.758 -13.818 -1.896 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -13.015 -13.674 -0.683 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -14.582 -12.866 -2.515 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -13.324 -13.231 -3.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -14.889 -15.052 -3.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -13.355 -15.546 -2.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -14.574 -15.192 -1.817 1.00 0.00 H new ATOM 1238 N TRP A 83 -9.096 -9.900 -1.576 1.00 0.00 N ATOM 1239 CA TRP A 83 -8.330 -9.444 -2.731 1.00 0.00 C ATOM 1240 C TRP A 83 -8.741 -10.202 -3.990 1.00 0.00 C ATOM 1241 O TRP A 83 -9.231 -11.327 -3.915 1.00 0.00 O ATOM 1242 CB TRP A 83 -6.832 -9.623 -2.479 1.00 0.00 C ATOM 1243 CG TRP A 83 -6.005 -9.537 -3.726 1.00 0.00 C ATOM 1244 CD1 TRP A 83 -5.305 -8.453 -4.172 1.00 0.00 C ATOM 1245 CD2 TRP A 83 -5.796 -10.576 -4.688 1.00 0.00 C ATOM 1246 NE1 TRP A 83 -4.672 -8.755 -5.353 1.00 0.00 N ATOM 1247 CE2 TRP A 83 -4.956 -10.051 -5.691 1.00 0.00 C ATOM 1248 CE3 TRP A 83 -6.233 -11.898 -4.800 1.00 0.00 C ATOM 1249 CZ2 TRP A 83 -4.549 -10.804 -6.789 1.00 0.00 C ATOM 1250 CZ3 TRP A 83 -5.828 -12.644 -5.891 1.00 0.00 C ATOM 1251 CH2 TRP A 83 -4.992 -12.096 -6.873 1.00 0.00 C ATOM 0 H TRP A 83 -8.584 -10.521 -0.949 1.00 0.00 H new ATOM 0 HA TRP A 83 -8.541 -8.385 -2.881 1.00 0.00 H new ATOM 0 HB2 TRP A 83 -6.496 -8.861 -1.775 1.00 0.00 H new ATOM 0 HB3 TRP A 83 -6.664 -10.590 -2.006 1.00 0.00 H new ATOM 0 HD1 TRP A 83 -5.256 -7.498 -3.670 1.00 0.00 H new ATOM 0 HE1 TRP A 83 -4.085 -8.117 -5.891 1.00 0.00 H new ATOM 0 HE3 TRP A 83 -6.876 -12.330 -4.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 -3.906 -10.383 -7.548 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -6.162 -13.667 -5.988 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -4.691 -12.705 -7.713 1.00 0.00 H new