USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 558 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 51 ASN : amide:sc= 0.301 K(o=0.18,f=-0.87) USER MOD Set 1.2: A 75 GLN : amide:sc= -0.121 K(o=0.18,f=-0.92) USER MOD Set 2.1: A 25 TYR OH : rot 26:sc= 2.39 USER MOD Set 2.2: A 39 ASN : amide:sc= -0.416! K(o=4.2!,f=-0.17) USER MOD Set 2.3: A 44 THR OG1 : rot -55:sc= 0.939 USER MOD Set 2.4: A 72 THR OG1 : rot -162:sc= 1.26 USER MOD Set 3.1: A 35 GLN : amide:sc= 1.25 K(o=0.81,f=-4.6!) USER MOD Set 3.2: A 48 GLN : amide:sc= -0.44 K(o=0.81,f=0.16) USER MOD Single : A 11 GLN : amide:sc= 0.391 X(o=0.39,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 154:sc= 1.78 (180deg=-0.00316) USER MOD Single : A 20 TYR OH : rot -90:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ -166:sc= -2.17 (180deg=-2.47!) USER MOD Single : A 27 THR OG1 : rot 66:sc= 0.897 USER MOD Single : A 32 GLN : amide:sc= 1.04 K(o=1,f=-1.7) USER MOD Single : A 34 SER OG : rot 180:sc= 0.0274 USER MOD Single : A 38 LYS NZ :NH3+ 147:sc= 1.21 (180deg=-1.12!) USER MOD Single : A 41 MET CE :methyl 180:sc=-0.00252 (180deg=-0.00252) USER MOD Single : A 42 THR OG1 : rot 180:sc= -0.0579 USER MOD Single : A 49 ASN : amide:sc= -0.25 X(o=-0.25,f=-0.44) USER MOD Single : A 54 CYS SG : rot 180:sc= 0.261 USER MOD Single : A 55 LYS NZ :NH3+ -153:sc= 1.23 (180deg=0.19) USER MOD Single : A 56 THR OG1 : rot 94:sc= 1.28 USER MOD Single : A 59 LYS NZ :NH3+ 162:sc= 1.51 (180deg=0.964) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.0182 USER MOD Single : A 70 MET CE :methyl 176:sc= 0 (180deg=-0.0124) USER MOD Single : A 71 MET CE :methyl 155:sc= -0.0049 (180deg=-0.68) USER MOD Single : A 74 CYS SG : rot 165:sc= 0.885 USER MOD ----------------------------------------------------------------- ATOM 70 N ILE A 6 2.306 -10.264 2.540 1.00 0.00 N ATOM 71 CA ILE A 6 1.719 -11.455 3.141 1.00 0.00 C ATOM 72 C ILE A 6 1.095 -11.149 4.504 1.00 0.00 C ATOM 73 O ILE A 6 -0.116 -11.305 4.683 1.00 0.00 O ATOM 74 CB ILE A 6 2.728 -12.636 3.160 1.00 0.00 C ATOM 75 CG1 ILE A 6 2.487 -13.667 4.291 1.00 0.00 C ATOM 76 CG2 ILE A 6 4.234 -12.294 3.106 1.00 0.00 C ATOM 77 CD1 ILE A 6 1.024 -14.082 4.466 1.00 0.00 C ATOM 0 HA ILE A 6 0.892 -11.785 2.512 1.00 0.00 H new ATOM 0 HB ILE A 6 2.488 -13.083 2.195 1.00 0.00 H new ATOM 0 HG12 ILE A 6 3.083 -14.557 4.088 1.00 0.00 H new ATOM 0 HG13 ILE A 6 2.848 -13.249 5.230 1.00 0.00 H new ATOM 0 HG21 ILE A 6 4.817 -13.215 3.126 1.00 0.00 H new ATOM 0 HG22 ILE A 6 4.450 -11.748 2.188 1.00 0.00 H new ATOM 0 HG23 ILE A 6 4.498 -11.678 3.966 1.00 0.00 H new ATOM 0 HD11 ILE A 6 0.946 -14.805 5.278 1.00 0.00 H new ATOM 0 HD12 ILE A 6 0.423 -13.204 4.703 1.00 0.00 H new ATOM 0 HD13 ILE A 6 0.661 -14.533 3.542 1.00 0.00 H new ATOM 89 N LEU A 7 1.908 -10.698 5.458 1.00 0.00 N ATOM 90 CA LEU A 7 1.494 -10.525 6.855 1.00 0.00 C ATOM 91 C LEU A 7 0.519 -9.351 7.059 1.00 0.00 C ATOM 92 O LEU A 7 0.149 -9.037 8.186 1.00 0.00 O ATOM 93 CB LEU A 7 2.751 -10.382 7.725 1.00 0.00 C ATOM 94 CG LEU A 7 3.676 -11.613 7.731 1.00 0.00 C ATOM 95 CD1 LEU A 7 4.892 -11.300 8.598 1.00 0.00 C ATOM 96 CD2 LEU A 7 2.986 -12.857 8.299 1.00 0.00 C ATOM 0 H LEU A 7 2.880 -10.440 5.285 1.00 0.00 H new ATOM 0 HA LEU A 7 0.934 -11.409 7.158 1.00 0.00 H new ATOM 0 HB2 LEU A 7 3.320 -9.519 7.378 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.445 -10.170 8.749 1.00 0.00 H new ATOM 0 HG LEU A 7 3.957 -11.825 6.699 1.00 0.00 H new ATOM 0 HD11 LEU A 7 5.559 -12.162 8.614 1.00 0.00 H new ATOM 0 HD12 LEU A 7 5.420 -10.440 8.187 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.566 -11.074 9.614 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.680 -13.698 8.282 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.675 -12.664 9.326 1.00 0.00 H new ATOM 0 HD23 LEU A 7 2.111 -13.096 7.694 1.00 0.00 H new ATOM 108 N ASP A 8 0.102 -8.716 5.968 1.00 0.00 N ATOM 109 CA ASP A 8 -0.863 -7.613 5.938 1.00 0.00 C ATOM 110 C ASP A 8 -2.311 -8.128 5.816 1.00 0.00 C ATOM 111 O ASP A 8 -3.260 -7.453 6.211 1.00 0.00 O ATOM 112 CB ASP A 8 -0.500 -6.701 4.759 1.00 0.00 C ATOM 113 CG ASP A 8 -0.743 -5.230 5.068 1.00 0.00 C ATOM 114 OD1 ASP A 8 0.131 -4.579 5.695 1.00 0.00 O ATOM 115 OD2 ASP A 8 -1.718 -4.634 4.565 1.00 0.00 O ATOM 0 H ASP A 8 0.440 -8.964 5.038 1.00 0.00 H new ATOM 0 HA ASP A 8 -0.813 -7.056 6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 8 0.549 -6.847 4.500 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.087 -6.988 3.887 1.00 0.00 H new ATOM 120 N ILE A 9 -2.479 -9.353 5.300 1.00 0.00 N ATOM 121 CA ILE A 9 -3.749 -10.089 5.322 1.00 0.00 C ATOM 122 C ILE A 9 -3.826 -10.899 6.634 1.00 0.00 C ATOM 123 O ILE A 9 -2.853 -11.018 7.371 1.00 0.00 O ATOM 124 CB ILE A 9 -3.924 -11.006 4.080 1.00 0.00 C ATOM 125 CG1 ILE A 9 -3.083 -10.591 2.851 1.00 0.00 C ATOM 126 CG2 ILE A 9 -5.419 -11.085 3.694 1.00 0.00 C ATOM 127 CD1 ILE A 9 -3.260 -11.501 1.630 1.00 0.00 C ATOM 0 H ILE A 9 -1.723 -9.868 4.848 1.00 0.00 H new ATOM 0 HA ILE A 9 -4.569 -9.373 5.281 1.00 0.00 H new ATOM 0 HB ILE A 9 -3.548 -11.985 4.377 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -3.348 -9.571 2.571 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -2.030 -10.581 3.132 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -5.536 -11.729 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -5.989 -11.495 4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -5.787 -10.086 3.459 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.635 -11.139 0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.966 -12.518 1.889 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -4.305 -11.493 1.319 1.00 0.00 H new ATOM 139 N ARG A 10 -4.969 -11.549 6.893 1.00 0.00 N ATOM 140 CA ARG A 10 -5.321 -12.352 8.088 1.00 0.00 C ATOM 141 C ARG A 10 -4.345 -13.435 8.600 1.00 0.00 C ATOM 142 O ARG A 10 -4.720 -14.103 9.555 1.00 0.00 O ATOM 143 CB ARG A 10 -6.741 -12.918 7.880 1.00 0.00 C ATOM 144 CG ARG A 10 -6.880 -13.943 6.736 1.00 0.00 C ATOM 145 CD ARG A 10 -6.457 -15.390 7.072 1.00 0.00 C ATOM 146 NE ARG A 10 -7.538 -16.335 6.719 1.00 0.00 N ATOM 147 CZ ARG A 10 -8.523 -16.696 7.524 1.00 0.00 C ATOM 148 NH1 ARG A 10 -8.443 -16.580 8.820 1.00 0.00 N ATOM 149 NH2 ARG A 10 -9.633 -17.164 7.027 1.00 0.00 N ATOM 0 H ARG A 10 -5.738 -11.530 6.223 1.00 0.00 H new ATOM 0 HA ARG A 10 -5.252 -11.641 8.912 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -7.067 -13.387 8.808 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -7.421 -12.088 7.687 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -7.920 -13.955 6.410 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -6.285 -13.598 5.891 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -5.548 -15.646 6.527 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -6.226 -15.471 8.134 1.00 0.00 H new ATOM 0 HE ARG A 10 -7.523 -16.739 5.783 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -7.598 -16.199 9.247 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -9.225 -16.870 9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -9.742 -17.252 6.017 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -10.393 -17.442 7.648 1.00 0.00 H new ATOM 163 N GLN A 11 -3.194 -13.657 7.953 1.00 0.00 N ATOM 164 CA GLN A 11 -1.990 -14.448 8.325 1.00 0.00 C ATOM 165 C GLN A 11 -2.096 -15.827 9.018 1.00 0.00 C ATOM 166 O GLN A 11 -1.107 -16.462 9.358 1.00 0.00 O ATOM 167 CB GLN A 11 -1.017 -13.527 9.061 1.00 0.00 C ATOM 168 CG GLN A 11 -1.560 -12.728 10.257 1.00 0.00 C ATOM 169 CD GLN A 11 -0.456 -11.923 10.941 1.00 0.00 C ATOM 170 OE1 GLN A 11 0.024 -12.271 12.007 1.00 0.00 O ATOM 171 NE2 GLN A 11 -0.023 -10.811 10.395 1.00 0.00 N ATOM 0 H GLN A 11 -3.057 -13.235 7.035 1.00 0.00 H new ATOM 0 HA GLN A 11 -1.644 -14.796 7.352 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.182 -14.133 9.413 1.00 0.00 H new ATOM 0 HB3 GLN A 11 -0.614 -12.818 8.338 1.00 0.00 H new ATOM 0 HG2 GLN A 11 -2.347 -12.054 9.918 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -2.013 -13.410 10.976 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.407 -10.497 9.504 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.698 -10.261 10.862 1.00 0.00 H new ATOM 180 N GLY A 12 -3.307 -16.325 9.153 1.00 0.00 N ATOM 181 CA GLY A 12 -3.730 -17.539 9.840 1.00 0.00 C ATOM 182 C GLY A 12 -4.872 -18.209 9.076 1.00 0.00 C ATOM 183 O GLY A 12 -6.017 -18.213 9.528 1.00 0.00 O ATOM 0 H GLY A 12 -4.107 -15.843 8.743 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -2.889 -18.227 9.928 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -4.053 -17.298 10.853 1.00 0.00 H new ATOM 187 N PRO A 13 -4.606 -18.733 7.871 1.00 0.00 N ATOM 188 CA PRO A 13 -5.546 -19.462 7.016 1.00 0.00 C ATOM 189 C PRO A 13 -5.756 -20.915 7.477 1.00 0.00 C ATOM 190 O PRO A 13 -5.750 -21.845 6.670 1.00 0.00 O ATOM 191 CB PRO A 13 -4.910 -19.374 5.634 1.00 0.00 C ATOM 192 CG PRO A 13 -3.430 -19.498 5.981 1.00 0.00 C ATOM 193 CD PRO A 13 -3.309 -18.655 7.228 1.00 0.00 C ATOM 0 HA PRO A 13 -6.550 -19.039 7.042 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -5.246 -20.174 4.974 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -5.138 -18.432 5.135 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -3.142 -20.533 6.163 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.793 -19.127 5.178 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.523 -19.031 7.882 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.053 -17.624 6.982 1.00 0.00 H new ATOM 201 N LYS A 14 -5.924 -21.095 8.795 1.00 0.00 N ATOM 202 CA LYS A 14 -6.031 -22.401 9.496 1.00 0.00 C ATOM 203 C LYS A 14 -6.932 -23.452 8.821 1.00 0.00 C ATOM 204 O LYS A 14 -6.710 -24.641 9.003 1.00 0.00 O ATOM 205 CB LYS A 14 -6.403 -22.156 10.974 1.00 0.00 C ATOM 206 CG LYS A 14 -6.430 -23.422 11.863 1.00 0.00 C ATOM 207 CD LYS A 14 -7.834 -24.004 12.141 1.00 0.00 C ATOM 208 CE LYS A 14 -7.957 -25.489 11.762 1.00 0.00 C ATOM 209 NZ LYS A 14 -9.316 -26.018 12.042 1.00 0.00 N ATOM 0 H LYS A 14 -5.993 -20.306 9.437 1.00 0.00 H new ATOM 0 HA LYS A 14 -5.046 -22.865 9.434 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.692 -21.448 11.399 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -7.385 -21.683 11.012 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.823 -24.193 11.388 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.957 -23.187 12.816 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.067 -23.885 13.199 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.575 -23.430 11.584 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -7.729 -25.614 10.703 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -7.220 -26.068 12.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -9.513 -26.821 11.411 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -9.369 -26.334 13.032 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -10.020 -25.270 11.879 1.00 0.00 H new ATOM 223 N GLU A 15 -7.910 -23.043 8.017 1.00 0.00 N ATOM 224 CA GLU A 15 -8.717 -23.940 7.177 1.00 0.00 C ATOM 225 C GLU A 15 -8.680 -23.589 5.683 1.00 0.00 C ATOM 226 O GLU A 15 -8.528 -24.519 4.881 1.00 0.00 O ATOM 227 CB GLU A 15 -10.161 -24.037 7.687 1.00 0.00 C ATOM 228 CG GLU A 15 -10.152 -24.440 9.163 1.00 0.00 C ATOM 229 CD GLU A 15 -11.497 -24.875 9.734 1.00 0.00 C ATOM 230 OE1 GLU A 15 -12.396 -25.256 8.950 1.00 0.00 O ATOM 231 OE2 GLU A 15 -11.548 -24.968 10.976 1.00 0.00 O ATOM 0 H GLU A 15 -8.173 -22.062 7.925 1.00 0.00 H new ATOM 0 HA GLU A 15 -8.251 -24.922 7.265 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -10.667 -23.080 7.563 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -10.717 -24.770 7.102 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -9.441 -25.255 9.294 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -9.784 -23.598 9.749 1.00 0.00 H new ATOM 238 N PRO A 16 -8.743 -22.313 5.250 1.00 0.00 N ATOM 239 CA PRO A 16 -8.569 -21.951 3.840 1.00 0.00 C ATOM 240 C PRO A 16 -7.129 -22.129 3.306 1.00 0.00 C ATOM 241 O PRO A 16 -6.658 -21.285 2.562 1.00 0.00 O ATOM 242 CB PRO A 16 -9.124 -20.524 3.708 1.00 0.00 C ATOM 243 CG PRO A 16 -8.972 -19.934 5.095 1.00 0.00 C ATOM 244 CD PRO A 16 -9.177 -21.136 6.005 1.00 0.00 C ATOM 0 HA PRO A 16 -9.117 -22.639 3.196 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -8.569 -19.948 2.968 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -10.167 -20.530 3.390 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.989 -19.484 5.236 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -9.710 -19.154 5.285 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.599 -21.030 6.923 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -10.223 -21.227 6.296 1.00 0.00 H new ATOM 252 N PHE A 17 -6.427 -23.232 3.610 1.00 0.00 N ATOM 253 CA PHE A 17 -5.096 -23.573 3.065 1.00 0.00 C ATOM 254 C PHE A 17 -4.972 -23.232 1.574 1.00 0.00 C ATOM 255 O PHE A 17 -4.219 -22.347 1.219 1.00 0.00 O ATOM 256 CB PHE A 17 -4.798 -25.072 3.291 1.00 0.00 C ATOM 257 CG PHE A 17 -3.529 -25.396 4.057 1.00 0.00 C ATOM 258 CD1 PHE A 17 -3.300 -24.810 5.317 1.00 0.00 C ATOM 259 CD2 PHE A 17 -2.586 -26.305 3.524 1.00 0.00 C ATOM 260 CE1 PHE A 17 -2.123 -25.109 6.023 1.00 0.00 C ATOM 261 CE2 PHE A 17 -1.417 -26.618 4.243 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.192 -26.016 5.492 1.00 0.00 C ATOM 0 H PHE A 17 -6.777 -23.935 4.261 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.363 -22.968 3.599 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.641 -25.512 3.823 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.745 -25.561 2.318 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -4.027 -24.133 5.739 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.763 -26.761 2.561 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.934 -24.640 6.977 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.699 -27.315 3.838 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.297 -26.252 6.048 1.00 0.00 H new ATOM 272 N ARG A 18 -5.783 -23.888 0.729 1.00 0.00 N ATOM 273 CA ARG A 18 -5.990 -23.645 -0.715 1.00 0.00 C ATOM 274 C ARG A 18 -6.260 -22.164 -1.044 1.00 0.00 C ATOM 275 O ARG A 18 -5.482 -21.494 -1.726 1.00 0.00 O ATOM 276 CB ARG A 18 -7.111 -24.576 -1.269 1.00 0.00 C ATOM 277 CG ARG A 18 -7.827 -25.532 -0.281 1.00 0.00 C ATOM 278 CD ARG A 18 -8.776 -24.841 0.727 1.00 0.00 C ATOM 279 NE ARG A 18 -8.740 -25.440 2.083 1.00 0.00 N ATOM 280 CZ ARG A 18 -8.873 -26.702 2.459 1.00 0.00 C ATOM 281 NH1 ARG A 18 -9.228 -27.667 1.659 1.00 0.00 N ATOM 282 NH2 ARG A 18 -8.615 -27.008 3.692 1.00 0.00 N ATOM 0 H ARG A 18 -6.358 -24.663 1.059 1.00 0.00 H new ATOM 0 HA ARG A 18 -5.056 -23.892 -1.220 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -7.870 -23.944 -1.730 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.677 -25.183 -2.063 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -8.399 -26.261 -0.855 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -7.072 -26.087 0.276 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.511 -23.786 0.798 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -9.796 -24.889 0.345 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.589 -24.777 2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.422 -27.470 0.677 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.312 -28.619 2.014 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.318 -26.284 4.346 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -8.709 -27.973 4.008 1.00 0.00 H new ATOM 296 N ASP A 19 -7.378 -21.693 -0.500 1.00 0.00 N ATOM 297 CA ASP A 19 -7.941 -20.361 -0.729 1.00 0.00 C ATOM 298 C ASP A 19 -7.001 -19.218 -0.333 1.00 0.00 C ATOM 299 O ASP A 19 -7.098 -18.152 -0.922 1.00 0.00 O ATOM 300 CB ASP A 19 -9.292 -20.264 -0.006 1.00 0.00 C ATOM 301 CG ASP A 19 -9.730 -18.808 0.171 1.00 0.00 C ATOM 302 OD1 ASP A 19 -10.207 -18.229 -0.830 1.00 0.00 O ATOM 303 OD2 ASP A 19 -9.498 -18.278 1.280 1.00 0.00 O ATOM 0 H ASP A 19 -7.943 -22.251 0.140 1.00 0.00 H new ATOM 0 HA ASP A 19 -8.084 -20.239 -1.803 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -10.049 -20.806 -0.573 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -9.219 -20.744 0.970 1.00 0.00 H new ATOM 308 N TYR A 20 -6.057 -19.434 0.581 1.00 0.00 N ATOM 309 CA TYR A 20 -5.067 -18.429 0.960 1.00 0.00 C ATOM 310 C TYR A 20 -3.681 -18.699 0.370 1.00 0.00 C ATOM 311 O TYR A 20 -2.983 -17.741 0.045 1.00 0.00 O ATOM 312 CB TYR A 20 -4.996 -18.372 2.479 1.00 0.00 C ATOM 313 CG TYR A 20 -4.205 -17.204 3.034 1.00 0.00 C ATOM 314 CD1 TYR A 20 -4.851 -15.980 3.295 1.00 0.00 C ATOM 315 CD2 TYR A 20 -2.838 -17.357 3.334 1.00 0.00 C ATOM 316 CE1 TYR A 20 -4.139 -14.923 3.893 1.00 0.00 C ATOM 317 CE2 TYR A 20 -2.135 -16.321 3.971 1.00 0.00 C ATOM 318 CZ TYR A 20 -2.784 -15.102 4.252 1.00 0.00 C ATOM 319 OH TYR A 20 -2.084 -14.108 4.852 1.00 0.00 O ATOM 0 H TYR A 20 -5.957 -20.317 1.082 1.00 0.00 H new ATOM 0 HA TYR A 20 -5.385 -17.470 0.551 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.011 -18.327 2.875 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -4.553 -19.299 2.843 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -5.892 -15.852 3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -2.329 -18.273 3.074 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -4.627 -13.977 4.077 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -1.099 -16.458 4.245 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.653 -13.553 4.169 1.00 0.00 H new ATOM 329 N VAL A 21 -3.276 -19.967 0.205 1.00 0.00 N ATOM 330 CA VAL A 21 -1.947 -20.310 -0.319 1.00 0.00 C ATOM 331 C VAL A 21 -1.683 -19.681 -1.653 1.00 0.00 C ATOM 332 O VAL A 21 -0.651 -19.043 -1.784 1.00 0.00 O ATOM 333 CB VAL A 21 -1.612 -21.812 -0.390 1.00 0.00 C ATOM 334 CG1 VAL A 21 -2.434 -22.721 -1.297 1.00 0.00 C ATOM 335 CG2 VAL A 21 -0.155 -21.996 -0.787 1.00 0.00 C ATOM 0 H VAL A 21 -3.855 -20.776 0.429 1.00 0.00 H new ATOM 0 HA VAL A 21 -1.282 -19.891 0.436 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.863 -22.134 0.621 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -2.061 -23.743 -1.223 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -3.479 -22.693 -0.989 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -2.350 -22.378 -2.328 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.077 -23.060 -0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.016 -21.542 -1.763 1.00 0.00 H new ATOM 0 HG23 VAL A 21 0.487 -21.518 -0.047 1.00 0.00 H new ATOM 345 N ASP A 22 -2.595 -19.784 -2.615 1.00 0.00 N ATOM 346 CA ASP A 22 -2.299 -19.248 -3.943 1.00 0.00 C ATOM 347 C ASP A 22 -2.078 -17.719 -3.928 1.00 0.00 C ATOM 348 O ASP A 22 -1.105 -17.182 -4.463 1.00 0.00 O ATOM 349 CB ASP A 22 -3.446 -19.693 -4.844 1.00 0.00 C ATOM 350 CG ASP A 22 -3.104 -20.975 -5.621 1.00 0.00 C ATOM 351 OD1 ASP A 22 -2.660 -21.963 -4.981 1.00 0.00 O ATOM 352 OD2 ASP A 22 -3.308 -20.956 -6.852 1.00 0.00 O ATOM 0 H ASP A 22 -3.513 -20.216 -2.510 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.354 -19.634 -4.324 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -4.337 -19.862 -4.240 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -3.685 -18.895 -5.548 1.00 0.00 H new ATOM 357 N ARG A 23 -2.942 -17.034 -3.177 1.00 0.00 N ATOM 358 CA ARG A 23 -2.927 -15.586 -2.882 1.00 0.00 C ATOM 359 C ARG A 23 -1.652 -15.130 -2.176 1.00 0.00 C ATOM 360 O ARG A 23 -1.123 -14.068 -2.492 1.00 0.00 O ATOM 361 CB ARG A 23 -4.141 -15.176 -2.014 1.00 0.00 C ATOM 362 CG ARG A 23 -5.331 -16.104 -2.031 1.00 0.00 C ATOM 363 CD ARG A 23 -5.996 -16.188 -3.395 1.00 0.00 C ATOM 364 NE ARG A 23 -7.394 -16.497 -3.122 1.00 0.00 N ATOM 365 CZ ARG A 23 -8.250 -17.187 -3.849 1.00 0.00 C ATOM 366 NH1 ARG A 23 -7.989 -17.487 -5.092 1.00 0.00 N ATOM 367 NH2 ARG A 23 -9.376 -17.609 -3.352 1.00 0.00 N ATOM 0 H ARG A 23 -3.728 -17.501 -2.724 1.00 0.00 H new ATOM 0 HA ARG A 23 -2.975 -15.095 -3.854 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -3.803 -15.075 -0.983 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -4.474 -14.190 -2.339 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -5.012 -17.101 -1.726 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -6.061 -15.764 -1.297 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -5.900 -15.248 -3.938 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -5.535 -16.961 -4.011 1.00 0.00 H new ATOM 0 HE ARG A 23 -7.762 -16.127 -2.245 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -7.111 -17.187 -5.516 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -8.663 -18.022 -5.640 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -9.612 -17.408 -2.380 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -10.023 -18.141 -3.934 1.00 0.00 H new ATOM 381 N PHE A 24 -1.182 -15.905 -1.206 1.00 0.00 N ATOM 382 CA PHE A 24 0.038 -15.601 -0.465 1.00 0.00 C ATOM 383 C PHE A 24 1.299 -15.967 -1.260 1.00 0.00 C ATOM 384 O PHE A 24 2.158 -15.100 -1.466 1.00 0.00 O ATOM 385 CB PHE A 24 -0.013 -16.327 0.886 1.00 0.00 C ATOM 386 CG PHE A 24 1.319 -16.512 1.589 1.00 0.00 C ATOM 387 CD1 PHE A 24 2.372 -15.594 1.453 1.00 0.00 C ATOM 388 CD2 PHE A 24 1.528 -17.668 2.346 1.00 0.00 C ATOM 389 CE1 PHE A 24 3.634 -15.859 2.000 1.00 0.00 C ATOM 390 CE2 PHE A 24 2.792 -17.947 2.877 1.00 0.00 C ATOM 391 CZ PHE A 24 3.863 -17.051 2.699 1.00 0.00 C ATOM 0 H PHE A 24 -1.639 -16.767 -0.909 1.00 0.00 H new ATOM 0 HA PHE A 24 0.094 -14.526 -0.295 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.678 -15.774 1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.460 -17.309 0.732 1.00 0.00 H new ATOM 0 HD1 PHE A 24 2.207 -14.670 0.919 1.00 0.00 H new ATOM 0 HD2 PHE A 24 0.709 -18.350 2.522 1.00 0.00 H new ATOM 0 HE1 PHE A 24 4.433 -15.142 1.882 1.00 0.00 H new ATOM 0 HE2 PHE A 24 2.948 -18.861 3.430 1.00 0.00 H new ATOM 0 HZ PHE A 24 4.842 -17.278 3.094 1.00 0.00 H new ATOM 401 N TYR A 25 1.440 -17.225 -1.690 1.00 0.00 N ATOM 402 CA TYR A 25 2.640 -17.698 -2.390 1.00 0.00 C ATOM 403 C TYR A 25 2.946 -16.858 -3.635 1.00 0.00 C ATOM 404 O TYR A 25 4.120 -16.646 -3.918 1.00 0.00 O ATOM 405 CB TYR A 25 2.612 -19.207 -2.677 1.00 0.00 C ATOM 406 CG TYR A 25 3.302 -20.105 -1.652 1.00 0.00 C ATOM 407 CD1 TYR A 25 3.186 -19.865 -0.269 1.00 0.00 C ATOM 408 CD2 TYR A 25 4.084 -21.195 -2.092 1.00 0.00 C ATOM 409 CE1 TYR A 25 3.870 -20.683 0.654 1.00 0.00 C ATOM 410 CE2 TYR A 25 4.791 -21.997 -1.173 1.00 0.00 C ATOM 411 CZ TYR A 25 4.705 -21.737 0.208 1.00 0.00 C ATOM 412 OH TYR A 25 5.359 -22.557 1.084 1.00 0.00 O ATOM 0 H TYR A 25 0.727 -17.943 -1.563 1.00 0.00 H new ATOM 0 HA TYR A 25 3.475 -17.551 -1.705 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.571 -19.520 -2.760 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.075 -19.379 -3.649 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.571 -19.051 0.086 1.00 0.00 H new ATOM 0 HD2 TYR A 25 4.141 -21.418 -3.147 1.00 0.00 H new ATOM 0 HE1 TYR A 25 3.756 -20.504 1.713 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.401 -22.814 -1.530 1.00 0.00 H new ATOM 0 HH TYR A 25 4.869 -22.586 1.932 1.00 0.00 H new ATOM 422 N LYS A 26 1.929 -16.260 -4.277 1.00 0.00 N ATOM 423 CA LYS A 26 2.026 -15.210 -5.316 1.00 0.00 C ATOM 424 C LYS A 26 2.975 -14.040 -4.970 1.00 0.00 C ATOM 425 O LYS A 26 3.474 -13.368 -5.874 1.00 0.00 O ATOM 426 CB LYS A 26 0.577 -14.761 -5.647 1.00 0.00 C ATOM 427 CG LYS A 26 0.353 -13.298 -6.070 1.00 0.00 C ATOM 428 CD LYS A 26 0.212 -12.365 -4.849 1.00 0.00 C ATOM 429 CE LYS A 26 0.713 -10.945 -5.131 1.00 0.00 C ATOM 430 NZ LYS A 26 2.195 -10.885 -5.093 1.00 0.00 N ATOM 0 H LYS A 26 0.960 -16.507 -4.077 1.00 0.00 H new ATOM 0 HA LYS A 26 2.504 -15.629 -6.202 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.204 -15.401 -6.447 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -0.041 -14.953 -4.770 1.00 0.00 H new ATOM 0 HG2 LYS A 26 1.188 -12.966 -6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -0.544 -13.230 -6.685 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.835 -12.324 -4.547 1.00 0.00 H new ATOM 0 HD3 LYS A 26 0.769 -12.783 -4.011 1.00 0.00 H new ATOM 0 HE2 LYS A 26 0.357 -10.618 -6.108 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.299 -10.257 -4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 2.501 -9.892 -5.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 2.542 -11.392 -4.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 2.583 -11.329 -5.950 1.00 0.00 H new ATOM 444 N THR A 27 3.180 -13.725 -3.692 1.00 0.00 N ATOM 445 CA THR A 27 4.179 -12.787 -3.156 1.00 0.00 C ATOM 446 C THR A 27 5.466 -13.532 -2.837 1.00 0.00 C ATOM 447 O THR A 27 6.460 -13.342 -3.536 1.00 0.00 O ATOM 448 CB THR A 27 3.647 -12.046 -1.895 1.00 0.00 C ATOM 449 OG1 THR A 27 2.284 -12.339 -1.658 1.00 0.00 O ATOM 450 CG2 THR A 27 3.636 -10.538 -2.075 1.00 0.00 C ATOM 0 H THR A 27 2.618 -14.143 -2.950 1.00 0.00 H new ATOM 0 HA THR A 27 4.381 -12.032 -3.916 1.00 0.00 H new ATOM 0 HB THR A 27 4.310 -12.372 -1.093 1.00 0.00 H new ATOM 0 HG1 THR A 27 2.189 -13.286 -1.423 1.00 0.00 H new ATOM 0 HG21 THR A 27 3.257 -10.066 -1.169 1.00 0.00 H new ATOM 0 HG22 THR A 27 4.650 -10.187 -2.270 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.994 -10.277 -2.916 1.00 0.00 H new ATOM 458 N LEU A 28 5.402 -14.494 -1.912 1.00 0.00 N ATOM 459 CA LEU A 28 6.564 -15.227 -1.391 1.00 0.00 C ATOM 460 C LEU A 28 7.517 -15.752 -2.474 1.00 0.00 C ATOM 461 O LEU A 28 8.744 -15.678 -2.341 1.00 0.00 O ATOM 462 CB LEU A 28 6.042 -16.326 -0.471 1.00 0.00 C ATOM 463 CG LEU A 28 7.110 -17.363 -0.080 1.00 0.00 C ATOM 464 CD1 LEU A 28 6.991 -17.724 1.388 1.00 0.00 C ATOM 465 CD2 LEU A 28 6.935 -18.630 -0.922 1.00 0.00 C ATOM 0 H LEU A 28 4.521 -14.793 -1.494 1.00 0.00 H new ATOM 0 HA LEU A 28 7.193 -14.535 -0.830 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.642 -15.870 0.435 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.215 -16.837 -0.963 1.00 0.00 H new ATOM 0 HG LEU A 28 8.093 -16.929 -0.262 1.00 0.00 H new ATOM 0 HD11 LEU A 28 7.754 -18.458 1.645 1.00 0.00 H new ATOM 0 HD12 LEU A 28 7.129 -16.829 1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.004 -18.144 1.580 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.693 -19.361 -0.641 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.944 -19.049 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.043 -18.383 -1.978 1.00 0.00 H new ATOM 477 N ARG A 29 6.938 -16.237 -3.577 1.00 0.00 N ATOM 478 CA ARG A 29 7.666 -16.756 -4.750 1.00 0.00 C ATOM 479 C ARG A 29 8.622 -15.758 -5.424 1.00 0.00 C ATOM 480 O ARG A 29 9.356 -16.173 -6.314 1.00 0.00 O ATOM 481 CB ARG A 29 6.691 -17.373 -5.763 1.00 0.00 C ATOM 482 CG ARG A 29 5.789 -16.367 -6.508 1.00 0.00 C ATOM 483 CD ARG A 29 5.892 -16.442 -8.041 1.00 0.00 C ATOM 484 NE ARG A 29 5.186 -17.626 -8.581 1.00 0.00 N ATOM 485 CZ ARG A 29 4.722 -17.812 -9.806 1.00 0.00 C ATOM 486 NH1 ARG A 29 4.949 -16.959 -10.767 1.00 0.00 N ATOM 487 NH2 ARG A 29 4.010 -18.863 -10.095 1.00 0.00 N ATOM 0 H ARG A 29 5.925 -16.283 -3.686 1.00 0.00 H new ATOM 0 HA ARG A 29 8.323 -17.532 -4.358 1.00 0.00 H new ATOM 0 HB2 ARG A 29 7.266 -17.935 -6.499 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.055 -18.088 -5.241 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.753 -16.540 -6.216 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.047 -15.358 -6.187 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.471 -15.537 -8.479 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.941 -16.479 -8.334 1.00 0.00 H new ATOM 0 HE ARG A 29 5.039 -18.395 -7.927 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.499 -16.119 -10.584 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.577 -17.132 -11.701 1.00 0.00 H new ATOM 0 HH21 ARG A 29 3.804 -19.554 -9.373 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.658 -18.995 -11.043 1.00 0.00 H new ATOM 501 N ALA A 30 8.606 -14.482 -5.036 1.00 0.00 N ATOM 502 CA ALA A 30 9.451 -13.411 -5.568 1.00 0.00 C ATOM 503 C ALA A 30 10.073 -12.499 -4.478 1.00 0.00 C ATOM 504 O ALA A 30 10.711 -11.505 -4.815 1.00 0.00 O ATOM 505 CB ALA A 30 8.604 -12.621 -6.576 1.00 0.00 C ATOM 0 H ALA A 30 7.973 -14.151 -4.307 1.00 0.00 H new ATOM 0 HA ALA A 30 10.319 -13.854 -6.056 1.00 0.00 H new ATOM 0 HB1 ALA A 30 9.200 -11.811 -6.996 1.00 0.00 H new ATOM 0 HB2 ALA A 30 8.278 -13.285 -7.377 1.00 0.00 H new ATOM 0 HB3 ALA A 30 7.732 -12.205 -6.072 1.00 0.00 H new ATOM 511 N GLU A 31 9.933 -12.846 -3.190 1.00 0.00 N ATOM 512 CA GLU A 31 10.516 -12.100 -2.054 1.00 0.00 C ATOM 513 C GLU A 31 11.360 -12.998 -1.121 1.00 0.00 C ATOM 514 O GLU A 31 12.410 -12.562 -0.661 1.00 0.00 O ATOM 515 CB GLU A 31 9.404 -11.327 -1.307 1.00 0.00 C ATOM 516 CG GLU A 31 8.528 -12.230 -0.415 1.00 0.00 C ATOM 517 CD GLU A 31 7.025 -11.897 -0.343 1.00 0.00 C ATOM 518 OE1 GLU A 31 6.506 -11.235 -1.265 1.00 0.00 O ATOM 519 OE2 GLU A 31 6.339 -12.432 0.559 1.00 0.00 O ATOM 0 H GLU A 31 9.403 -13.667 -2.899 1.00 0.00 H new ATOM 0 HA GLU A 31 11.222 -11.371 -2.451 1.00 0.00 H new ATOM 0 HB2 GLU A 31 9.860 -10.552 -0.691 1.00 0.00 H new ATOM 0 HB3 GLU A 31 8.770 -10.822 -2.036 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.631 -13.256 -0.767 1.00 0.00 H new ATOM 0 HG3 GLU A 31 8.931 -12.199 0.597 1.00 0.00 H new ATOM 526 N GLN A 32 10.972 -14.274 -0.949 1.00 0.00 N ATOM 527 CA GLN A 32 11.716 -15.297 -0.188 1.00 0.00 C ATOM 528 C GLN A 32 12.198 -16.457 -1.083 1.00 0.00 C ATOM 529 O GLN A 32 13.051 -17.247 -0.685 1.00 0.00 O ATOM 530 CB GLN A 32 10.849 -15.919 0.930 1.00 0.00 C ATOM 531 CG GLN A 32 9.850 -15.030 1.690 1.00 0.00 C ATOM 532 CD GLN A 32 10.468 -13.948 2.573 1.00 0.00 C ATOM 533 OE1 GLN A 32 11.510 -13.382 2.300 1.00 0.00 O ATOM 534 NE2 GLN A 32 9.871 -13.645 3.702 1.00 0.00 N ATOM 0 H GLN A 32 10.105 -14.634 -1.348 1.00 0.00 H new ATOM 0 HA GLN A 32 12.572 -14.772 0.236 1.00 0.00 H new ATOM 0 HB2 GLN A 32 10.286 -16.741 0.489 1.00 0.00 H new ATOM 0 HB3 GLN A 32 11.526 -16.354 1.665 1.00 0.00 H new ATOM 0 HG2 GLN A 32 9.193 -14.550 0.964 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.224 -15.669 2.313 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.996 -14.104 3.956 1.00 0.00 H new ATOM 0 HE22 GLN A 32 10.282 -12.950 4.326 1.00 0.00 H new ATOM 543 N ALA A 33 11.597 -16.599 -2.272 1.00 0.00 N ATOM 544 CA ALA A 33 11.760 -17.688 -3.246 1.00 0.00 C ATOM 545 C ALA A 33 11.398 -19.111 -2.753 1.00 0.00 C ATOM 546 O ALA A 33 11.225 -20.000 -3.586 1.00 0.00 O ATOM 547 CB ALA A 33 13.151 -17.604 -3.894 1.00 0.00 C ATOM 0 H ALA A 33 10.932 -15.901 -2.604 1.00 0.00 H new ATOM 0 HA ALA A 33 10.998 -17.520 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 33 13.266 -18.413 -4.615 1.00 0.00 H new ATOM 0 HB2 ALA A 33 13.258 -16.646 -4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 33 13.917 -17.692 -3.124 1.00 0.00 H new ATOM 553 N SER A 34 11.170 -19.320 -1.447 1.00 0.00 N ATOM 554 CA SER A 34 10.736 -20.550 -0.734 1.00 0.00 C ATOM 555 C SER A 34 9.447 -21.268 -1.204 1.00 0.00 C ATOM 556 O SER A 34 8.877 -22.049 -0.448 1.00 0.00 O ATOM 557 CB SER A 34 10.587 -20.236 0.765 1.00 0.00 C ATOM 558 OG SER A 34 11.698 -19.504 1.248 1.00 0.00 O ATOM 0 H SER A 34 11.297 -18.554 -0.786 1.00 0.00 H new ATOM 0 HA SER A 34 11.530 -21.258 -0.972 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.673 -19.666 0.931 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.489 -21.165 1.326 1.00 0.00 H new ATOM 0 HG SER A 34 11.576 -19.317 2.202 1.00 0.00 H new ATOM 564 N GLN A 35 8.975 -21.014 -2.428 1.00 0.00 N ATOM 565 CA GLN A 35 7.799 -21.616 -3.079 1.00 0.00 C ATOM 566 C GLN A 35 7.842 -23.163 -3.179 1.00 0.00 C ATOM 567 O GLN A 35 6.852 -23.795 -3.541 1.00 0.00 O ATOM 568 CB GLN A 35 7.713 -20.980 -4.486 1.00 0.00 C ATOM 569 CG GLN A 35 6.372 -21.199 -5.206 1.00 0.00 C ATOM 570 CD GLN A 35 6.351 -20.744 -6.660 1.00 0.00 C ATOM 571 OE1 GLN A 35 5.498 -19.979 -7.092 1.00 0.00 O ATOM 572 NE2 GLN A 35 7.238 -21.237 -7.497 1.00 0.00 N ATOM 0 H GLN A 35 9.434 -20.335 -3.036 1.00 0.00 H new ATOM 0 HA GLN A 35 6.918 -21.413 -2.470 1.00 0.00 H new ATOM 0 HB2 GLN A 35 7.892 -19.908 -4.398 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.513 -21.387 -5.104 1.00 0.00 H new ATOM 0 HG2 GLN A 35 6.123 -22.259 -5.167 1.00 0.00 H new ATOM 0 HG3 GLN A 35 5.591 -20.668 -4.661 1.00 0.00 H new ATOM 0 HE21 GLN A 35 7.958 -21.876 -7.159 1.00 0.00 H new ATOM 0 HE22 GLN A 35 7.206 -20.980 -8.484 1.00 0.00 H new ATOM 581 N GLU A 36 9.015 -23.753 -2.968 1.00 0.00 N ATOM 582 CA GLU A 36 9.327 -25.176 -3.093 1.00 0.00 C ATOM 583 C GLU A 36 8.816 -26.024 -1.906 1.00 0.00 C ATOM 584 O GLU A 36 8.488 -25.508 -0.844 1.00 0.00 O ATOM 585 CB GLU A 36 10.864 -25.257 -3.163 1.00 0.00 C ATOM 586 CG GLU A 36 11.403 -26.541 -3.801 1.00 0.00 C ATOM 587 CD GLU A 36 12.886 -26.727 -3.487 1.00 0.00 C ATOM 588 OE1 GLU A 36 13.703 -25.808 -3.722 1.00 0.00 O ATOM 589 OE2 GLU A 36 13.238 -27.771 -2.897 1.00 0.00 O ATOM 0 H GLU A 36 9.832 -23.212 -2.685 1.00 0.00 H new ATOM 0 HA GLU A 36 8.832 -25.582 -3.975 1.00 0.00 H new ATOM 0 HB2 GLU A 36 11.235 -24.402 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 36 11.266 -25.171 -2.154 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.839 -27.398 -3.433 1.00 0.00 H new ATOM 0 HG3 GLU A 36 11.258 -26.504 -4.881 1.00 0.00 H new ATOM 596 N VAL A 37 8.848 -27.355 -2.066 1.00 0.00 N ATOM 597 CA VAL A 37 8.687 -28.375 -1.002 1.00 0.00 C ATOM 598 C VAL A 37 9.630 -28.137 0.192 1.00 0.00 C ATOM 599 O VAL A 37 9.368 -28.602 1.300 1.00 0.00 O ATOM 600 CB VAL A 37 8.858 -29.783 -1.612 1.00 0.00 C ATOM 601 CG1 VAL A 37 9.170 -30.897 -0.606 1.00 0.00 C ATOM 602 CG2 VAL A 37 7.568 -30.148 -2.358 1.00 0.00 C ATOM 0 H VAL A 37 8.994 -27.777 -2.983 1.00 0.00 H new ATOM 0 HA VAL A 37 7.680 -28.291 -0.594 1.00 0.00 H new ATOM 0 HB VAL A 37 9.726 -29.722 -2.268 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.271 -31.846 -1.133 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.101 -30.669 -0.088 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.359 -30.970 0.119 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.670 -31.141 -2.796 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.731 -30.143 -1.660 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.386 -29.419 -3.148 1.00 0.00 H new ATOM 612 N LYS A 38 10.728 -27.392 -0.010 1.00 0.00 N ATOM 613 CA LYS A 38 11.524 -26.810 1.083 1.00 0.00 C ATOM 614 C LYS A 38 10.768 -25.598 1.683 1.00 0.00 C ATOM 615 O LYS A 38 11.304 -24.488 1.726 1.00 0.00 O ATOM 616 CB LYS A 38 12.939 -26.437 0.598 1.00 0.00 C ATOM 617 CG LYS A 38 13.888 -27.638 0.453 1.00 0.00 C ATOM 618 CD LYS A 38 15.364 -27.198 0.346 1.00 0.00 C ATOM 619 CE LYS A 38 15.649 -26.189 -0.779 1.00 0.00 C ATOM 620 NZ LYS A 38 15.588 -26.819 -2.115 1.00 0.00 N ATOM 0 H LYS A 38 11.090 -27.175 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 38 11.655 -27.551 1.872 1.00 0.00 H new ATOM 0 HB2 LYS A 38 12.860 -25.931 -0.364 1.00 0.00 H new ATOM 0 HB3 LYS A 38 13.376 -25.725 1.298 1.00 0.00 H new ATOM 0 HG2 LYS A 38 13.768 -28.300 1.310 1.00 0.00 H new ATOM 0 HG3 LYS A 38 13.615 -28.211 -0.433 1.00 0.00 H new ATOM 0 HD2 LYS A 38 15.669 -26.759 1.296 1.00 0.00 H new ATOM 0 HD3 LYS A 38 15.983 -28.082 0.190 1.00 0.00 H new ATOM 0 HE2 LYS A 38 14.926 -25.375 -0.728 1.00 0.00 H new ATOM 0 HE3 LYS A 38 16.635 -25.749 -0.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 15.231 -26.130 -2.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 16.540 -27.131 -2.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 14.950 -27.640 -2.083 1.00 0.00 H new ATOM 634 N ASN A 39 9.517 -25.801 2.110 1.00 0.00 N ATOM 635 CA ASN A 39 8.685 -24.802 2.781 1.00 0.00 C ATOM 636 C ASN A 39 9.320 -24.480 4.156 1.00 0.00 C ATOM 637 O ASN A 39 9.113 -25.201 5.130 1.00 0.00 O ATOM 638 CB ASN A 39 7.216 -25.285 2.900 1.00 0.00 C ATOM 639 CG ASN A 39 6.661 -26.062 1.722 1.00 0.00 C ATOM 640 OD1 ASN A 39 6.843 -27.261 1.573 1.00 0.00 O ATOM 641 ND2 ASN A 39 5.890 -25.431 0.878 1.00 0.00 N ATOM 0 H ASN A 39 9.042 -26.696 1.993 1.00 0.00 H new ATOM 0 HA ASN A 39 8.648 -23.886 2.191 1.00 0.00 H new ATOM 0 HB2 ASN A 39 7.133 -25.909 3.790 1.00 0.00 H new ATOM 0 HB3 ASN A 39 6.582 -24.413 3.062 1.00 0.00 H new ATOM 0 HD21 ASN A 39 5.451 -25.939 0.110 1.00 0.00 H new ATOM 0 HD22 ASN A 39 5.727 -24.430 0.987 1.00 0.00 H new ATOM 648 N ALA A 40 10.194 -23.469 4.201 1.00 0.00 N ATOM 649 CA ALA A 40 11.004 -23.091 5.366 1.00 0.00 C ATOM 650 C ALA A 40 10.193 -22.623 6.600 1.00 0.00 C ATOM 651 O ALA A 40 8.974 -22.679 6.628 1.00 0.00 O ATOM 652 CB ALA A 40 11.984 -22.011 4.884 1.00 0.00 C ATOM 0 H ALA A 40 10.364 -22.867 3.395 1.00 0.00 H new ATOM 0 HA ALA A 40 11.522 -23.977 5.734 1.00 0.00 H new ATOM 0 HB1 ALA A 40 12.613 -21.693 5.716 1.00 0.00 H new ATOM 0 HB2 ALA A 40 12.610 -22.417 4.089 1.00 0.00 H new ATOM 0 HB3 ALA A 40 11.425 -21.156 4.505 1.00 0.00 H new ATOM 658 N MET A 41 10.863 -22.071 7.618 1.00 0.00 N ATOM 659 CA MET A 41 10.202 -21.527 8.822 1.00 0.00 C ATOM 660 C MET A 41 9.752 -20.054 8.656 1.00 0.00 C ATOM 661 O MET A 41 9.599 -19.322 9.632 1.00 0.00 O ATOM 662 CB MET A 41 11.070 -21.753 10.076 1.00 0.00 C ATOM 663 CG MET A 41 11.690 -23.160 10.165 1.00 0.00 C ATOM 664 SD MET A 41 10.596 -24.566 9.804 1.00 0.00 S ATOM 665 CE MET A 41 10.046 -25.023 11.470 1.00 0.00 C ATOM 0 H MET A 41 11.879 -21.986 7.636 1.00 0.00 H new ATOM 0 HA MET A 41 9.277 -22.087 8.962 1.00 0.00 H new ATOM 0 HB2 MET A 41 11.870 -21.013 10.089 1.00 0.00 H new ATOM 0 HB3 MET A 41 10.461 -21.579 10.963 1.00 0.00 H new ATOM 0 HG2 MET A 41 12.535 -23.202 9.477 1.00 0.00 H new ATOM 0 HG3 MET A 41 12.090 -23.291 11.170 1.00 0.00 H new ATOM 0 HE1 MET A 41 9.367 -25.874 11.409 1.00 0.00 H new ATOM 0 HE2 MET A 41 10.910 -25.292 12.078 1.00 0.00 H new ATOM 0 HE3 MET A 41 9.530 -24.179 11.927 1.00 0.00 H new ATOM 675 N THR A 42 9.605 -19.598 7.406 1.00 0.00 N ATOM 676 CA THR A 42 8.963 -18.325 7.045 1.00 0.00 C ATOM 677 C THR A 42 7.455 -18.387 7.298 1.00 0.00 C ATOM 678 O THR A 42 6.875 -19.432 7.579 1.00 0.00 O ATOM 679 CB THR A 42 9.185 -17.965 5.545 1.00 0.00 C ATOM 680 OG1 THR A 42 9.652 -19.045 4.762 1.00 0.00 O ATOM 681 CG2 THR A 42 10.281 -16.908 5.419 1.00 0.00 C ATOM 0 H THR A 42 9.938 -20.118 6.594 1.00 0.00 H new ATOM 0 HA THR A 42 9.424 -17.560 7.670 1.00 0.00 H new ATOM 0 HB THR A 42 8.207 -17.637 5.193 1.00 0.00 H new ATOM 0 HG1 THR A 42 9.768 -18.751 3.834 1.00 0.00 H new ATOM 0 HG21 THR A 42 10.430 -16.662 4.368 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.986 -16.011 5.963 1.00 0.00 H new ATOM 0 HG23 THR A 42 11.210 -17.296 5.836 1.00 0.00 H new ATOM 689 N GLU A 43 6.785 -17.262 7.084 1.00 0.00 N ATOM 690 CA GLU A 43 5.324 -17.123 6.970 1.00 0.00 C ATOM 691 C GLU A 43 4.673 -18.044 5.901 1.00 0.00 C ATOM 692 O GLU A 43 3.463 -18.108 5.771 1.00 0.00 O ATOM 693 CB GLU A 43 5.015 -15.643 6.680 1.00 0.00 C ATOM 694 CG GLU A 43 5.597 -15.119 5.354 1.00 0.00 C ATOM 695 CD GLU A 43 7.122 -14.990 5.321 1.00 0.00 C ATOM 696 OE1 GLU A 43 7.728 -14.713 6.378 1.00 0.00 O ATOM 697 OE2 GLU A 43 7.713 -15.332 4.275 1.00 0.00 O ATOM 0 H GLU A 43 7.265 -16.368 6.978 1.00 0.00 H new ATOM 0 HA GLU A 43 4.884 -17.447 7.913 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.934 -15.506 6.667 1.00 0.00 H new ATOM 0 HB3 GLU A 43 5.404 -15.036 7.498 1.00 0.00 H new ATOM 0 HG2 GLU A 43 5.287 -15.786 4.550 1.00 0.00 H new ATOM 0 HG3 GLU A 43 5.161 -14.143 5.144 1.00 0.00 H new ATOM 704 N THR A 44 5.500 -18.739 5.124 1.00 0.00 N ATOM 705 CA THR A 44 5.330 -19.825 4.123 1.00 0.00 C ATOM 706 C THR A 44 4.358 -21.000 4.403 1.00 0.00 C ATOM 707 O THR A 44 4.395 -21.967 3.641 1.00 0.00 O ATOM 708 CB THR A 44 6.744 -20.326 3.791 1.00 0.00 C ATOM 709 OG1 THR A 44 6.903 -20.678 2.446 1.00 0.00 O ATOM 710 CG2 THR A 44 7.260 -21.468 4.642 1.00 0.00 C ATOM 0 H THR A 44 6.494 -18.518 5.187 1.00 0.00 H new ATOM 0 HA THR A 44 4.798 -19.364 3.291 1.00 0.00 H new ATOM 0 HB THR A 44 7.346 -19.449 4.028 1.00 0.00 H new ATOM 0 HG1 THR A 44 6.220 -21.336 2.197 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.265 -21.738 4.318 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.286 -21.160 5.687 1.00 0.00 H new ATOM 0 HG23 THR A 44 6.601 -22.329 4.534 1.00 0.00 H new ATOM 718 N LEU A 45 3.485 -20.913 5.422 1.00 0.00 N ATOM 719 CA LEU A 45 2.632 -21.945 6.059 1.00 0.00 C ATOM 720 C LEU A 45 1.889 -23.037 5.236 1.00 0.00 C ATOM 721 O LEU A 45 1.245 -23.888 5.837 1.00 0.00 O ATOM 722 CB LEU A 45 1.691 -21.316 7.135 1.00 0.00 C ATOM 723 CG LEU A 45 1.332 -19.810 7.180 1.00 0.00 C ATOM 724 CD1 LEU A 45 0.715 -19.166 5.926 1.00 0.00 C ATOM 725 CD2 LEU A 45 0.308 -19.616 8.299 1.00 0.00 C ATOM 0 H LEU A 45 3.340 -20.011 5.876 1.00 0.00 H new ATOM 0 HA LEU A 45 3.422 -22.567 6.481 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.746 -21.855 7.069 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.129 -21.556 8.104 1.00 0.00 H new ATOM 0 HG LEU A 45 2.297 -19.319 7.309 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.521 -18.110 6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.407 -19.262 5.089 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.221 -19.668 5.682 1.00 0.00 H new ATOM 0 HD21 LEU A 45 0.031 -18.564 8.360 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.579 -20.213 8.088 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.741 -19.933 9.248 1.00 0.00 H new ATOM 737 N LEU A 46 1.898 -23.041 3.907 1.00 0.00 N ATOM 738 CA LEU A 46 1.110 -23.947 3.044 1.00 0.00 C ATOM 739 C LEU A 46 1.713 -24.063 1.632 1.00 0.00 C ATOM 740 O LEU A 46 2.614 -23.314 1.302 1.00 0.00 O ATOM 741 CB LEU A 46 -0.377 -23.517 2.994 1.00 0.00 C ATOM 742 CG LEU A 46 -0.780 -22.034 3.097 1.00 0.00 C ATOM 743 CD1 LEU A 46 -1.178 -21.646 4.504 1.00 0.00 C ATOM 744 CD2 LEU A 46 0.204 -21.000 2.538 1.00 0.00 C ATOM 0 H LEU A 46 2.473 -22.392 3.370 1.00 0.00 H new ATOM 0 HA LEU A 46 1.153 -24.941 3.490 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.787 -23.894 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.888 -24.043 3.800 1.00 0.00 H new ATOM 0 HG LEU A 46 -1.639 -21.991 2.428 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -1.454 -20.592 4.526 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.028 -22.250 4.821 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -0.340 -21.816 5.179 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.204 -19.998 2.675 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.155 -21.080 3.065 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.362 -21.185 1.475 1.00 0.00 H new ATOM 756 N VAL A 47 1.209 -24.945 0.755 1.00 0.00 N ATOM 757 CA VAL A 47 1.785 -25.188 -0.578 1.00 0.00 C ATOM 758 C VAL A 47 0.730 -25.094 -1.681 1.00 0.00 C ATOM 759 O VAL A 47 -0.340 -25.716 -1.617 1.00 0.00 O ATOM 760 CB VAL A 47 2.514 -26.545 -0.671 1.00 0.00 C ATOM 761 CG1 VAL A 47 3.733 -26.401 -1.586 1.00 0.00 C ATOM 762 CG2 VAL A 47 2.912 -27.134 0.685 1.00 0.00 C ATOM 0 H VAL A 47 0.385 -25.513 0.951 1.00 0.00 H new ATOM 0 HA VAL A 47 2.521 -24.398 -0.728 1.00 0.00 H new ATOM 0 HB VAL A 47 1.806 -27.259 -1.093 1.00 0.00 H new ATOM 0 HG11 VAL A 47 4.251 -27.357 -1.655 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.408 -26.092 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 47 4.409 -25.651 -1.176 1.00 0.00 H new ATOM 0 HG21 VAL A 47 3.419 -28.087 0.533 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.582 -26.444 1.199 1.00 0.00 H new ATOM 0 HG23 VAL A 47 2.019 -27.290 1.290 1.00 0.00 H new ATOM 772 N GLN A 48 1.054 -24.281 -2.689 1.00 0.00 N ATOM 773 CA GLN A 48 0.264 -24.086 -3.910 1.00 0.00 C ATOM 774 C GLN A 48 -0.122 -25.441 -4.500 1.00 0.00 C ATOM 775 O GLN A 48 0.700 -26.353 -4.544 1.00 0.00 O ATOM 776 CB GLN A 48 1.048 -23.272 -4.948 1.00 0.00 C ATOM 777 CG GLN A 48 1.165 -21.803 -4.527 1.00 0.00 C ATOM 778 CD GLN A 48 2.043 -20.962 -5.452 1.00 0.00 C ATOM 779 OE1 GLN A 48 1.725 -19.851 -5.845 1.00 0.00 O ATOM 780 NE2 GLN A 48 3.235 -21.412 -5.778 1.00 0.00 N ATOM 0 H GLN A 48 1.905 -23.719 -2.678 1.00 0.00 H new ATOM 0 HA GLN A 48 -0.638 -23.532 -3.649 1.00 0.00 H new ATOM 0 HB2 GLN A 48 2.044 -23.698 -5.072 1.00 0.00 H new ATOM 0 HB3 GLN A 48 0.551 -23.337 -5.916 1.00 0.00 H new ATOM 0 HG2 GLN A 48 0.168 -21.365 -4.492 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.570 -21.756 -3.516 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.534 -22.336 -5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.861 -20.837 -6.342 1.00 0.00 H new ATOM 789 N ASN A 49 -1.379 -25.574 -4.925 1.00 0.00 N ATOM 790 CA ASN A 49 -1.982 -26.796 -5.461 1.00 0.00 C ATOM 791 C ASN A 49 -1.558 -28.137 -4.790 1.00 0.00 C ATOM 792 O ASN A 49 -1.483 -29.168 -5.447 1.00 0.00 O ATOM 793 CB ASN A 49 -1.830 -26.757 -6.986 1.00 0.00 C ATOM 794 CG ASN A 49 -2.734 -27.775 -7.664 1.00 0.00 C ATOM 795 OD1 ASN A 49 -3.920 -27.848 -7.386 1.00 0.00 O ATOM 796 ND2 ASN A 49 -2.218 -28.592 -8.553 1.00 0.00 N ATOM 0 H ASN A 49 -2.037 -24.795 -4.904 1.00 0.00 H new ATOM 0 HA ASN A 49 -3.039 -26.795 -5.194 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.068 -25.758 -7.351 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -0.792 -26.955 -7.254 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -2.808 -29.287 -9.010 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -1.227 -28.532 -8.786 1.00 0.00 H new ATOM 803 N ALA A 50 -1.345 -28.154 -3.463 1.00 0.00 N ATOM 804 CA ALA A 50 -1.156 -29.383 -2.679 1.00 0.00 C ATOM 805 C ALA A 50 -2.336 -30.382 -2.772 1.00 0.00 C ATOM 806 O ALA A 50 -3.429 -30.045 -3.235 1.00 0.00 O ATOM 807 CB ALA A 50 -0.864 -28.998 -1.220 1.00 0.00 C ATOM 0 H ALA A 50 -1.299 -27.305 -2.900 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.309 -29.917 -3.109 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -0.722 -29.901 -0.627 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.040 -28.390 -1.178 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.703 -28.429 -0.819 1.00 0.00 H new ATOM 813 N ASN A 51 -2.130 -31.572 -2.215 1.00 0.00 N ATOM 814 CA ASN A 51 -2.973 -32.767 -2.346 1.00 0.00 C ATOM 815 C ASN A 51 -4.325 -32.654 -1.617 1.00 0.00 C ATOM 816 O ASN A 51 -4.459 -31.844 -0.695 1.00 0.00 O ATOM 817 CB ASN A 51 -2.185 -33.972 -1.790 1.00 0.00 C ATOM 818 CG ASN A 51 -1.053 -34.437 -2.688 1.00 0.00 C ATOM 819 OD1 ASN A 51 -0.658 -33.782 -3.635 1.00 0.00 O ATOM 820 ND2 ASN A 51 -0.487 -35.573 -2.370 1.00 0.00 N ATOM 0 H ASN A 51 -1.319 -31.743 -1.621 1.00 0.00 H new ATOM 0 HA ASN A 51 -3.210 -32.889 -3.403 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -1.776 -33.707 -0.815 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.874 -34.802 -1.632 1.00 0.00 H new ATOM 0 HD21 ASN A 51 0.298 -35.923 -2.919 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -0.831 -36.109 -1.573 1.00 0.00 H new ATOM 827 N PRO A 52 -5.324 -33.497 -1.950 1.00 0.00 N ATOM 828 CA PRO A 52 -6.593 -33.498 -1.230 1.00 0.00 C ATOM 829 C PRO A 52 -6.414 -33.801 0.263 1.00 0.00 C ATOM 830 O PRO A 52 -6.989 -33.089 1.085 1.00 0.00 O ATOM 831 CB PRO A 52 -7.483 -34.527 -1.938 1.00 0.00 C ATOM 832 CG PRO A 52 -6.497 -35.429 -2.680 1.00 0.00 C ATOM 833 CD PRO A 52 -5.354 -34.478 -3.029 1.00 0.00 C ATOM 0 HA PRO A 52 -7.055 -32.511 -1.251 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -8.082 -35.093 -1.225 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.178 -34.046 -2.626 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -6.158 -36.255 -2.055 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -6.944 -35.867 -3.572 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -4.407 -35.012 -3.101 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -5.523 -33.997 -3.993 1.00 0.00 H new ATOM 841 N ASP A 53 -5.617 -34.812 0.629 1.00 0.00 N ATOM 842 CA ASP A 53 -5.556 -35.304 2.012 1.00 0.00 C ATOM 843 C ASP A 53 -4.952 -34.322 3.021 1.00 0.00 C ATOM 844 O ASP A 53 -5.656 -33.997 3.972 1.00 0.00 O ATOM 845 CB ASP A 53 -4.905 -36.693 2.071 1.00 0.00 C ATOM 846 CG ASP A 53 -5.978 -37.725 1.732 1.00 0.00 C ATOM 847 OD1 ASP A 53 -6.486 -37.691 0.589 1.00 0.00 O ATOM 848 OD2 ASP A 53 -6.508 -38.373 2.667 1.00 0.00 O ATOM 0 H ASP A 53 -5.002 -35.308 -0.016 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.592 -35.399 2.338 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -4.077 -36.757 1.365 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -4.494 -36.881 3.063 1.00 0.00 H new ATOM 853 N CYS A 54 -3.743 -33.771 2.824 1.00 0.00 N ATOM 854 CA CYS A 54 -3.183 -32.770 3.753 1.00 0.00 C ATOM 855 C CYS A 54 -4.177 -31.639 4.054 1.00 0.00 C ATOM 856 O CYS A 54 -4.665 -31.472 5.165 1.00 0.00 O ATOM 857 CB CYS A 54 -1.855 -32.203 3.216 1.00 0.00 C ATOM 858 SG CYS A 54 -1.867 -31.865 1.431 1.00 0.00 S ATOM 0 H CYS A 54 -3.137 -33.998 2.036 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.985 -33.283 4.694 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -1.623 -31.281 3.749 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.054 -32.909 3.437 1.00 0.00 H new ATOM 0 HG CYS A 54 -0.712 -31.390 1.072 1.00 0.00 H new ATOM 864 N LYS A 55 -4.576 -30.918 3.019 1.00 0.00 N ATOM 865 CA LYS A 55 -5.629 -29.889 3.047 1.00 0.00 C ATOM 866 C LYS A 55 -6.913 -30.302 3.800 1.00 0.00 C ATOM 867 O LYS A 55 -7.468 -29.481 4.542 1.00 0.00 O ATOM 868 CB LYS A 55 -5.934 -29.591 1.583 1.00 0.00 C ATOM 869 CG LYS A 55 -4.908 -28.611 0.964 1.00 0.00 C ATOM 870 CD LYS A 55 -4.710 -28.745 -0.558 1.00 0.00 C ATOM 871 CE LYS A 55 -4.302 -27.403 -1.197 1.00 0.00 C ATOM 872 NZ LYS A 55 -4.265 -27.482 -2.681 1.00 0.00 N ATOM 0 H LYS A 55 -4.164 -31.031 2.093 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.273 -29.021 3.601 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -5.934 -30.522 1.016 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.935 -29.168 1.500 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -5.224 -27.592 1.185 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -3.946 -28.760 1.454 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -3.944 -29.493 -0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -5.633 -29.101 -1.016 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -5.005 -26.628 -0.893 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -3.321 -27.108 -0.825 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -3.588 -26.784 -3.049 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -3.970 -28.436 -2.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -5.211 -27.282 -3.063 1.00 0.00 H new ATOM 886 N THR A 56 -7.396 -31.529 3.587 1.00 0.00 N ATOM 887 CA THR A 56 -8.554 -32.137 4.277 1.00 0.00 C ATOM 888 C THR A 56 -8.281 -32.440 5.754 1.00 0.00 C ATOM 889 O THR A 56 -9.217 -32.495 6.550 1.00 0.00 O ATOM 890 CB THR A 56 -8.990 -33.432 3.562 1.00 0.00 C ATOM 891 OG1 THR A 56 -9.322 -33.116 2.233 1.00 0.00 O ATOM 892 CG2 THR A 56 -10.225 -34.117 4.146 1.00 0.00 C ATOM 0 H THR A 56 -6.978 -32.158 2.902 1.00 0.00 H new ATOM 0 HA THR A 56 -9.354 -31.398 4.237 1.00 0.00 H new ATOM 0 HB THR A 56 -8.147 -34.114 3.672 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.542 -33.261 1.658 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.448 -35.017 3.572 1.00 0.00 H new ATOM 0 HG22 THR A 56 -10.034 -34.387 5.185 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.075 -33.437 4.098 1.00 0.00 H new ATOM 900 N ILE A 57 -7.007 -32.570 6.124 1.00 0.00 N ATOM 901 CA ILE A 57 -6.558 -32.880 7.497 1.00 0.00 C ATOM 902 C ILE A 57 -6.295 -31.603 8.288 1.00 0.00 C ATOM 903 O ILE A 57 -6.940 -31.402 9.318 1.00 0.00 O ATOM 904 CB ILE A 57 -5.314 -33.793 7.508 1.00 0.00 C ATOM 905 CG1 ILE A 57 -5.679 -35.194 6.974 1.00 0.00 C ATOM 906 CG2 ILE A 57 -4.714 -33.928 8.924 1.00 0.00 C ATOM 907 CD1 ILE A 57 -4.451 -35.896 6.394 1.00 0.00 C ATOM 0 H ILE A 57 -6.234 -32.462 5.468 1.00 0.00 H new ATOM 0 HA ILE A 57 -7.367 -33.426 7.981 1.00 0.00 H new ATOM 0 HB ILE A 57 -4.566 -33.331 6.863 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -6.100 -35.796 7.779 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -6.448 -35.106 6.207 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -3.840 -34.579 8.888 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -4.419 -32.944 9.290 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -5.458 -34.356 9.595 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.736 -36.881 6.025 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -4.047 -35.304 5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -3.693 -36.004 7.170 1.00 0.00 H new ATOM 919 N LEU A 58 -5.421 -30.694 7.825 1.00 0.00 N ATOM 920 CA LEU A 58 -5.185 -29.424 8.528 1.00 0.00 C ATOM 921 C LEU A 58 -6.470 -28.613 8.702 1.00 0.00 C ATOM 922 O LEU A 58 -6.595 -27.873 9.677 1.00 0.00 O ATOM 923 CB LEU A 58 -4.088 -28.571 7.889 1.00 0.00 C ATOM 924 CG LEU A 58 -2.728 -29.286 7.847 1.00 0.00 C ATOM 925 CD1 LEU A 58 -2.543 -30.097 6.572 1.00 0.00 C ATOM 926 CD2 LEU A 58 -1.602 -28.267 7.983 1.00 0.00 C ATOM 0 H LEU A 58 -4.871 -30.814 6.974 1.00 0.00 H new ATOM 0 HA LEU A 58 -4.826 -29.708 9.517 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -4.385 -28.305 6.875 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.987 -27.640 8.446 1.00 0.00 H new ATOM 0 HG LEU A 58 -2.699 -29.984 8.684 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -1.568 -30.583 6.589 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.325 -30.854 6.505 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.604 -29.435 5.708 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.641 -28.780 7.952 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -1.658 -27.552 7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -1.701 -27.739 8.932 1.00 0.00 H new ATOM 938 N LYS A 59 -7.467 -28.863 7.833 1.00 0.00 N ATOM 939 CA LYS A 59 -8.877 -28.451 8.025 1.00 0.00 C ATOM 940 C LYS A 59 -9.368 -28.567 9.478 1.00 0.00 C ATOM 941 O LYS A 59 -10.231 -27.794 9.887 1.00 0.00 O ATOM 942 CB LYS A 59 -9.788 -29.299 7.131 1.00 0.00 C ATOM 943 CG LYS A 59 -10.469 -28.530 5.999 1.00 0.00 C ATOM 944 CD LYS A 59 -12.012 -28.533 6.045 1.00 0.00 C ATOM 945 CE LYS A 59 -12.657 -27.470 6.951 1.00 0.00 C ATOM 946 NZ LYS A 59 -12.707 -27.812 8.395 1.00 0.00 N ATOM 0 H LYS A 59 -7.316 -29.367 6.959 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.921 -27.396 7.755 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -9.199 -30.108 6.699 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -10.556 -29.760 7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -10.122 -27.497 6.021 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -10.148 -28.954 5.047 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.387 -28.395 5.031 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.345 -29.516 6.377 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -12.108 -26.536 6.835 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.674 -27.288 6.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -12.866 -26.948 8.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.484 -28.482 8.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.806 -28.247 8.680 1.00 0.00 H new ATOM 960 N ALA A 60 -8.834 -29.514 10.239 1.00 0.00 N ATOM 961 CA ALA A 60 -8.968 -29.632 11.690 1.00 0.00 C ATOM 962 C ALA A 60 -7.608 -29.450 12.405 1.00 0.00 C ATOM 963 O ALA A 60 -7.560 -28.883 13.495 1.00 0.00 O ATOM 964 CB ALA A 60 -9.584 -31.000 12.003 1.00 0.00 C ATOM 0 H ALA A 60 -8.265 -30.261 9.842 1.00 0.00 H new ATOM 0 HA ALA A 60 -9.617 -28.840 12.062 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -9.694 -31.111 13.082 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -10.563 -31.075 11.529 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -8.934 -31.788 11.621 1.00 0.00 H new ATOM 970 N LEU A 61 -6.504 -29.846 11.762 1.00 0.00 N ATOM 971 CA LEU A 61 -5.155 -29.983 12.324 1.00 0.00 C ATOM 972 C LEU A 61 -4.262 -28.752 12.075 1.00 0.00 C ATOM 973 O LEU A 61 -3.243 -28.796 11.387 1.00 0.00 O ATOM 974 CB LEU A 61 -4.554 -31.327 11.846 1.00 0.00 C ATOM 975 CG LEU A 61 -3.997 -32.165 13.014 1.00 0.00 C ATOM 976 CD1 LEU A 61 -3.861 -33.632 12.620 1.00 0.00 C ATOM 977 CD2 LEU A 61 -2.634 -31.649 13.479 1.00 0.00 C ATOM 0 H LEU A 61 -6.530 -30.095 10.773 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.217 -30.013 13.412 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.320 -31.900 11.323 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.757 -31.132 11.129 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.709 -32.072 13.834 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.466 -34.200 13.462 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.839 -34.026 12.343 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -3.181 -33.720 11.773 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -2.274 -32.265 14.303 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.925 -31.698 12.652 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.731 -30.616 13.813 1.00 0.00 H new ATOM 989 N GLY A 62 -4.639 -27.637 12.700 1.00 0.00 N ATOM 990 CA GLY A 62 -3.838 -26.406 12.718 1.00 0.00 C ATOM 991 C GLY A 62 -3.606 -25.852 14.121 1.00 0.00 C ATOM 992 O GLY A 62 -3.970 -24.704 14.358 1.00 0.00 O ATOM 0 H GLY A 62 -5.517 -27.559 13.214 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -2.874 -26.602 12.249 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -4.337 -25.648 12.114 1.00 0.00 H new ATOM 996 N PRO A 63 -3.020 -26.621 15.062 1.00 0.00 N ATOM 997 CA PRO A 63 -2.729 -26.183 16.431 1.00 0.00 C ATOM 998 C PRO A 63 -1.485 -25.268 16.487 1.00 0.00 C ATOM 999 O PRO A 63 -0.635 -25.432 17.354 1.00 0.00 O ATOM 1000 CB PRO A 63 -2.547 -27.496 17.209 1.00 0.00 C ATOM 1001 CG PRO A 63 -1.831 -28.373 16.185 1.00 0.00 C ATOM 1002 CD PRO A 63 -2.531 -27.985 14.884 1.00 0.00 C ATOM 0 HA PRO A 63 -3.522 -25.570 16.859 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -1.954 -27.356 18.113 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -3.501 -27.924 17.517 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.761 -28.167 16.149 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -1.944 -29.434 16.408 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.842 -28.042 14.042 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.354 -28.666 14.669 1.00 0.00 H new ATOM 1010 N ALA A 64 -1.328 -24.373 15.502 1.00 0.00 N ATOM 1011 CA ALA A 64 -0.225 -23.410 15.343 1.00 0.00 C ATOM 1012 C ALA A 64 1.230 -23.950 15.288 1.00 0.00 C ATOM 1013 O ALA A 64 2.117 -23.164 14.979 1.00 0.00 O ATOM 1014 CB ALA A 64 -0.396 -22.296 16.388 1.00 0.00 C ATOM 0 H ALA A 64 -2.009 -24.296 14.747 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.329 -23.035 14.325 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.413 -21.573 16.285 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -1.352 -21.795 16.233 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.371 -22.728 17.388 1.00 0.00 H new ATOM 1020 N ALA A 65 1.473 -25.251 15.510 1.00 0.00 N ATOM 1021 CA ALA A 65 2.822 -25.843 15.554 1.00 0.00 C ATOM 1022 C ALA A 65 2.927 -27.180 14.791 1.00 0.00 C ATOM 1023 O ALA A 65 3.698 -27.295 13.852 1.00 0.00 O ATOM 1024 CB ALA A 65 3.237 -25.993 17.022 1.00 0.00 C ATOM 0 H ALA A 65 0.729 -25.931 15.666 1.00 0.00 H new ATOM 0 HA ALA A 65 3.509 -25.173 15.038 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.234 -26.430 17.075 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.244 -25.013 17.500 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.528 -26.642 17.536 1.00 0.00 H new ATOM 1030 N THR A 66 2.061 -28.175 15.037 1.00 0.00 N ATOM 1031 CA THR A 66 2.057 -29.423 14.222 1.00 0.00 C ATOM 1032 C THR A 66 1.868 -29.169 12.715 1.00 0.00 C ATOM 1033 O THR A 66 2.208 -29.992 11.876 1.00 0.00 O ATOM 1034 CB THR A 66 0.979 -30.416 14.683 1.00 0.00 C ATOM 1035 OG1 THR A 66 0.820 -30.370 16.083 1.00 0.00 O ATOM 1036 CG2 THR A 66 1.336 -31.855 14.318 1.00 0.00 C ATOM 0 H THR A 66 1.361 -28.152 15.779 1.00 0.00 H new ATOM 0 HA THR A 66 3.047 -29.852 14.381 1.00 0.00 H new ATOM 0 HB THR A 66 0.060 -30.122 14.176 1.00 0.00 H new ATOM 0 HG1 THR A 66 0.128 -31.008 16.355 1.00 0.00 H new ATOM 0 HG21 THR A 66 0.547 -32.524 14.662 1.00 0.00 H new ATOM 0 HG22 THR A 66 1.439 -31.941 13.236 1.00 0.00 H new ATOM 0 HG23 THR A 66 2.277 -32.128 14.795 1.00 0.00 H new ATOM 1044 N LEU A 67 1.355 -27.997 12.346 1.00 0.00 N ATOM 1045 CA LEU A 67 1.278 -27.548 10.957 1.00 0.00 C ATOM 1046 C LEU A 67 2.630 -27.652 10.234 1.00 0.00 C ATOM 1047 O LEU A 67 2.681 -28.137 9.117 1.00 0.00 O ATOM 1048 CB LEU A 67 0.756 -26.118 10.985 1.00 0.00 C ATOM 1049 CG LEU A 67 0.251 -25.486 9.668 1.00 0.00 C ATOM 1050 CD1 LEU A 67 0.334 -23.971 9.829 1.00 0.00 C ATOM 1051 CD2 LEU A 67 1.039 -25.879 8.449 1.00 0.00 C ATOM 0 H LEU A 67 0.976 -27.324 13.012 1.00 0.00 H new ATOM 0 HA LEU A 67 0.606 -28.191 10.389 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.061 -26.079 11.705 1.00 0.00 H new ATOM 0 HB3 LEU A 67 1.553 -25.483 11.372 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.764 -25.848 9.503 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -0.015 -23.488 8.916 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.291 -23.659 10.666 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.367 -23.681 10.020 1.00 0.00 H new ATOM 0 HD21 LEU A 67 0.617 -25.391 7.570 1.00 0.00 H new ATOM 0 HD22 LEU A 67 2.077 -25.571 8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.995 -26.960 8.320 1.00 0.00 H new ATOM 1063 N GLU A 68 3.717 -27.236 10.865 1.00 0.00 N ATOM 1064 CA GLU A 68 5.095 -27.301 10.341 1.00 0.00 C ATOM 1065 C GLU A 68 5.430 -28.604 9.601 1.00 0.00 C ATOM 1066 O GLU A 68 6.067 -28.554 8.550 1.00 0.00 O ATOM 1067 CB GLU A 68 6.098 -27.110 11.500 1.00 0.00 C ATOM 1068 CG GLU A 68 5.873 -25.799 12.258 1.00 0.00 C ATOM 1069 CD GLU A 68 6.659 -25.694 13.585 1.00 0.00 C ATOM 1070 OE1 GLU A 68 7.907 -25.800 13.542 1.00 0.00 O ATOM 1071 OE2 GLU A 68 6.011 -25.483 14.640 1.00 0.00 O ATOM 0 H GLU A 68 3.674 -26.824 11.797 1.00 0.00 H new ATOM 0 HA GLU A 68 5.173 -26.499 9.607 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.011 -27.947 12.193 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.114 -27.128 11.104 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.156 -24.966 11.614 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.809 -25.692 12.469 1.00 0.00 H new ATOM 1078 N GLU A 69 4.952 -29.750 10.098 1.00 0.00 N ATOM 1079 CA GLU A 69 5.021 -30.996 9.304 1.00 0.00 C ATOM 1080 C GLU A 69 3.879 -31.101 8.278 1.00 0.00 C ATOM 1081 O GLU A 69 4.088 -31.413 7.100 1.00 0.00 O ATOM 1082 CB GLU A 69 5.073 -32.263 10.185 1.00 0.00 C ATOM 1083 CG GLU A 69 3.788 -32.625 10.956 1.00 0.00 C ATOM 1084 CD GLU A 69 3.771 -34.025 11.587 1.00 0.00 C ATOM 1085 OE1 GLU A 69 4.709 -34.813 11.331 1.00 0.00 O ATOM 1086 OE2 GLU A 69 2.764 -34.304 12.280 1.00 0.00 O ATOM 0 H GLU A 69 4.524 -29.848 11.018 1.00 0.00 H new ATOM 0 HA GLU A 69 5.961 -30.938 8.755 1.00 0.00 H new ATOM 0 HB2 GLU A 69 5.338 -33.108 9.550 1.00 0.00 H new ATOM 0 HB3 GLU A 69 5.880 -32.142 10.907 1.00 0.00 H new ATOM 0 HG2 GLU A 69 3.638 -31.888 11.745 1.00 0.00 H new ATOM 0 HG3 GLU A 69 2.941 -32.541 10.276 1.00 0.00 H new ATOM 1093 N MET A 70 2.651 -30.808 8.713 1.00 0.00 N ATOM 1094 CA MET A 70 1.418 -31.073 7.973 1.00 0.00 C ATOM 1095 C MET A 70 1.342 -30.328 6.642 1.00 0.00 C ATOM 1096 O MET A 70 0.764 -30.833 5.676 1.00 0.00 O ATOM 1097 CB MET A 70 0.237 -30.671 8.827 1.00 0.00 C ATOM 1098 CG MET A 70 0.083 -31.379 10.150 1.00 0.00 C ATOM 1099 SD MET A 70 -1.097 -32.754 10.108 1.00 0.00 S ATOM 1100 CE MET A 70 -0.229 -33.925 11.188 1.00 0.00 C ATOM 0 H MET A 70 2.484 -30.367 9.617 1.00 0.00 H new ATOM 0 HA MET A 70 1.404 -32.139 7.746 1.00 0.00 H new ATOM 0 HB2 MET A 70 0.306 -29.601 9.020 1.00 0.00 H new ATOM 0 HB3 MET A 70 -0.672 -30.832 8.247 1.00 0.00 H new ATOM 0 HG2 MET A 70 1.056 -31.756 10.465 1.00 0.00 H new ATOM 0 HG3 MET A 70 -0.239 -30.659 10.902 1.00 0.00 H new ATOM 0 HE1 MET A 70 -0.847 -34.811 11.336 1.00 0.00 H new ATOM 0 HE2 MET A 70 0.715 -34.214 10.727 1.00 0.00 H new ATOM 0 HE3 MET A 70 -0.033 -33.455 12.152 1.00 0.00 H new ATOM 1110 N MET A 71 1.975 -29.151 6.640 1.00 0.00 N ATOM 1111 CA MET A 71 2.198 -28.201 5.554 1.00 0.00 C ATOM 1112 C MET A 71 2.366 -28.943 4.233 1.00 0.00 C ATOM 1113 O MET A 71 1.649 -28.652 3.276 1.00 0.00 O ATOM 1114 CB MET A 71 3.421 -27.325 5.920 1.00 0.00 C ATOM 1115 CG MET A 71 3.746 -26.239 4.880 1.00 0.00 C ATOM 1116 SD MET A 71 4.738 -24.849 5.505 1.00 0.00 S ATOM 1117 CE MET A 71 6.066 -25.683 6.423 1.00 0.00 C ATOM 0 H MET A 71 2.391 -28.804 7.504 1.00 0.00 H new ATOM 0 HA MET A 71 1.338 -27.544 5.423 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.238 -26.848 6.883 1.00 0.00 H new ATOM 0 HB3 MET A 71 4.292 -27.968 6.043 1.00 0.00 H new ATOM 0 HG2 MET A 71 4.279 -26.701 4.049 1.00 0.00 H new ATOM 0 HG3 MET A 71 2.810 -25.848 4.481 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.940 -25.034 6.468 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.726 -25.904 7.435 1.00 0.00 H new ATOM 0 HE3 MET A 71 6.330 -26.612 5.918 1.00 0.00 H new ATOM 1127 N THR A 72 3.198 -29.985 4.252 1.00 0.00 N ATOM 1128 CA THR A 72 3.616 -30.735 3.072 1.00 0.00 C ATOM 1129 C THR A 72 3.740 -32.228 3.338 1.00 0.00 C ATOM 1130 O THR A 72 3.548 -33.024 2.421 1.00 0.00 O ATOM 1131 CB THR A 72 4.990 -30.222 2.639 1.00 0.00 C ATOM 1132 OG1 THR A 72 4.947 -28.821 2.605 1.00 0.00 O ATOM 1133 CG2 THR A 72 5.436 -30.672 1.250 1.00 0.00 C ATOM 0 H THR A 72 3.610 -30.339 5.115 1.00 0.00 H new ATOM 0 HA THR A 72 2.856 -30.591 2.304 1.00 0.00 H new ATOM 0 HB THR A 72 5.697 -30.631 3.361 1.00 0.00 H new ATOM 0 HG1 THR A 72 5.693 -28.484 2.067 1.00 0.00 H new ATOM 0 HG21 THR A 72 6.421 -30.259 1.032 1.00 0.00 H new ATOM 0 HG22 THR A 72 5.484 -31.760 1.218 1.00 0.00 H new ATOM 0 HG23 THR A 72 4.722 -30.319 0.506 1.00 0.00 H new ATOM 1141 N ALA A 73 4.037 -32.655 4.570 1.00 0.00 N ATOM 1142 CA ALA A 73 4.374 -34.057 4.838 1.00 0.00 C ATOM 1143 C ALA A 73 3.143 -34.942 4.625 1.00 0.00 C ATOM 1144 O ALA A 73 3.197 -36.051 4.085 1.00 0.00 O ATOM 1145 CB ALA A 73 4.928 -34.211 6.259 1.00 0.00 C ATOM 0 H ALA A 73 4.051 -32.053 5.393 1.00 0.00 H new ATOM 0 HA ALA A 73 5.149 -34.377 4.141 1.00 0.00 H new ATOM 0 HB1 ALA A 73 5.173 -35.257 6.443 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.826 -33.603 6.367 1.00 0.00 H new ATOM 0 HB3 ALA A 73 4.179 -33.882 6.979 1.00 0.00 H new ATOM 1151 N CYS A 74 1.994 -34.349 4.942 1.00 0.00 N ATOM 1152 CA CYS A 74 0.692 -34.988 4.828 1.00 0.00 C ATOM 1153 C CYS A 74 0.228 -35.137 3.371 1.00 0.00 C ATOM 1154 O CYS A 74 -0.865 -35.643 3.142 1.00 0.00 O ATOM 1155 CB CYS A 74 -0.319 -34.252 5.718 1.00 0.00 C ATOM 1156 SG CYS A 74 0.135 -34.601 7.441 1.00 0.00 S ATOM 0 H CYS A 74 1.945 -33.392 5.292 1.00 0.00 H new ATOM 0 HA CYS A 74 0.774 -36.013 5.190 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.295 -33.180 5.523 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.334 -34.591 5.511 1.00 0.00 H new ATOM 0 HG CYS A 74 -0.467 -33.759 8.227 1.00 0.00 H new ATOM 1162 N GLN A 75 1.014 -34.713 2.371 1.00 0.00 N ATOM 1163 CA GLN A 75 0.726 -35.029 0.971 1.00 0.00 C ATOM 1164 C GLN A 75 0.867 -36.535 0.698 1.00 0.00 C ATOM 1165 O GLN A 75 0.045 -37.110 -0.008 1.00 0.00 O ATOM 1166 CB GLN A 75 1.596 -34.151 0.051 1.00 0.00 C ATOM 1167 CG GLN A 75 3.064 -34.583 -0.169 1.00 0.00 C ATOM 1168 CD GLN A 75 3.290 -35.595 -1.301 1.00 0.00 C ATOM 1169 OE1 GLN A 75 2.406 -35.918 -2.076 1.00 0.00 O ATOM 1170 NE2 GLN A 75 4.471 -36.162 -1.430 1.00 0.00 N ATOM 0 H GLN A 75 1.854 -34.150 2.509 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.315 -34.792 0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.111 -34.101 -0.924 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.600 -33.140 0.457 1.00 0.00 H new ATOM 0 HG2 GLN A 75 3.660 -33.694 -0.375 1.00 0.00 H new ATOM 0 HG3 GLN A 75 3.442 -35.011 0.759 1.00 0.00 H new ATOM 0 HE21 GLN A 75 5.229 -35.911 -0.796 1.00 0.00 H new ATOM 0 HE22 GLN A 75 4.628 -36.852 -2.164 1.00 0.00 H new