USER MOD reduce.3.24.130724 H: found=0, std=0, add=509, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 510 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 36 MET CE :methyl 176:sc= -0.425 (180deg=0) USER MOD Set 1.2: A 41 GLN : amide:sc= -0.434 K(o=-0.86,f=-0.0094) USER MOD Set 2.1: A 28 THR OG1 : rot 180:sc= 0.25! USER MOD Set 2.2: A 29 THR OG1 : rot 180:sc= 0.137 USER MOD Set 3.1: A 26 THR OG1 : rot -37:sc= 1.87 USER MOD Set 3.2: A 62 THR OG1 : rot -115:sc= -2.54! USER MOD Single : A 8 GLN : amide:sc=-0.00601 X(o=-0.006,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot -44:sc= 0.332 USER MOD Single : A 42 ASN : amide:sc= -1.63! C(o=-1.6!,f=-5.8!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0228 USER MOD Single : A 49 GLN : amide:sc= -0.048 X(o=-0.048,f=-0.28) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.023 X(o=-0.023,f=-0.14) USER MOD Single : A 60 ASN : amide:sc= -14.5! C(o=-15!,f=-23!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 105 N GLU A 7 -14.380 -14.163 3.881 1.00 0.00 N ATOM 106 CA GLU A 7 -13.841 -15.267 3.105 1.00 0.00 C ATOM 107 C GLU A 7 -13.095 -14.738 1.879 1.00 0.00 C ATOM 108 O GLU A 7 -12.028 -15.242 1.532 1.00 0.00 O ATOM 109 CB GLU A 7 -14.947 -16.241 2.696 1.00 0.00 C ATOM 110 CG GLU A 7 -15.371 -17.116 3.878 1.00 0.00 C ATOM 111 CD GLU A 7 -15.197 -18.601 3.552 1.00 0.00 C ATOM 112 OE1 GLU A 7 -15.576 -18.982 2.423 1.00 0.00 O ATOM 113 OE2 GLU A 7 -14.689 -19.321 4.438 1.00 0.00 O ATOM 0 HA GLU A 7 -13.134 -15.814 3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -15.807 -15.685 2.324 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -14.597 -16.872 1.879 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -14.777 -16.861 4.755 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -16.413 -16.915 4.129 1.00 0.00 H new ATOM 120 N GLN A 8 -13.686 -13.729 1.255 1.00 0.00 N ATOM 121 CA GLN A 8 -13.090 -13.127 0.075 1.00 0.00 C ATOM 122 C GLN A 8 -11.919 -12.226 0.472 1.00 0.00 C ATOM 123 O GLN A 8 -10.836 -12.319 -0.105 1.00 0.00 O ATOM 124 CB GLN A 8 -14.133 -12.348 -0.729 1.00 0.00 C ATOM 125 CG GLN A 8 -14.171 -12.822 -2.183 1.00 0.00 C ATOM 126 CD GLN A 8 -15.526 -12.516 -2.825 1.00 0.00 C ATOM 127 OE1 GLN A 8 -15.659 -11.645 -3.669 1.00 0.00 O ATOM 128 NE2 GLN A 8 -16.520 -13.278 -2.378 1.00 0.00 N ATOM 0 H GLN A 8 -14.571 -13.314 1.545 1.00 0.00 H new ATOM 0 HA GLN A 8 -12.709 -13.925 -0.563 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -15.116 -12.475 -0.276 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.902 -11.283 -0.696 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -13.378 -12.334 -2.749 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -13.979 -13.894 -2.225 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -16.339 -13.989 -1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -17.464 -13.151 -2.743 1.00 0.00 H new ATOM 137 N ILE A 9 -12.175 -11.375 1.454 1.00 0.00 N ATOM 138 CA ILE A 9 -11.156 -10.458 1.935 1.00 0.00 C ATOM 139 C ILE A 9 -9.906 -11.250 2.323 1.00 0.00 C ATOM 140 O ILE A 9 -8.789 -10.854 1.995 1.00 0.00 O ATOM 141 CB ILE A 9 -11.708 -9.588 3.066 1.00 0.00 C ATOM 142 CG1 ILE A 9 -11.292 -8.126 2.887 1.00 0.00 C ATOM 143 CG2 ILE A 9 -11.296 -10.138 4.433 1.00 0.00 C ATOM 144 CD1 ILE A 9 -12.399 -7.320 2.204 1.00 0.00 C ATOM 0 H ILE A 9 -13.074 -11.301 1.930 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.864 -9.766 1.145 1.00 0.00 H new ATOM 0 HB ILE A 9 -12.797 -9.621 3.021 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -11.065 -7.687 3.859 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -10.380 -8.074 2.293 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -11.702 -9.501 5.219 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -11.684 -11.150 4.550 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -10.209 -10.156 4.505 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -12.077 -6.285 2.089 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.607 -7.746 1.223 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -13.302 -7.354 2.813 1.00 0.00 H new ATOM 156 N ALA A 10 -10.136 -12.355 3.017 1.00 0.00 N ATOM 157 CA ALA A 10 -9.043 -13.206 3.453 1.00 0.00 C ATOM 158 C ALA A 10 -8.013 -13.324 2.328 1.00 0.00 C ATOM 159 O ALA A 10 -6.809 -13.332 2.581 1.00 0.00 O ATOM 160 CB ALA A 10 -9.594 -14.567 3.883 1.00 0.00 C ATOM 0 H ALA A 10 -11.064 -12.680 3.288 1.00 0.00 H new ATOM 0 HA ALA A 10 -8.540 -12.770 4.316 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.773 -15.205 4.210 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -10.298 -14.432 4.704 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -10.104 -15.035 3.041 1.00 0.00 H new ATOM 166 N GLU A 11 -8.524 -13.411 1.108 1.00 0.00 N ATOM 167 CA GLU A 11 -7.664 -13.528 -0.057 1.00 0.00 C ATOM 168 C GLU A 11 -6.876 -12.233 -0.266 1.00 0.00 C ATOM 169 O GLU A 11 -5.678 -12.269 -0.544 1.00 0.00 O ATOM 170 CB GLU A 11 -8.475 -13.884 -1.304 1.00 0.00 C ATOM 171 CG GLU A 11 -9.137 -15.255 -1.154 1.00 0.00 C ATOM 172 CD GLU A 11 -9.923 -15.625 -2.414 1.00 0.00 C ATOM 173 OE1 GLU A 11 -9.266 -16.047 -3.390 1.00 0.00 O ATOM 174 OE2 GLU A 11 -11.164 -15.477 -2.373 1.00 0.00 O ATOM 0 H GLU A 11 -9.523 -13.403 0.902 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.956 -14.338 0.118 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.238 -13.125 -1.475 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.824 -13.884 -2.178 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -8.376 -16.011 -0.961 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.805 -15.248 -0.293 1.00 0.00 H new ATOM 181 N PHE A 12 -7.580 -11.120 -0.126 1.00 0.00 N ATOM 182 CA PHE A 12 -6.962 -9.816 -0.296 1.00 0.00 C ATOM 183 C PHE A 12 -5.861 -9.591 0.743 1.00 0.00 C ATOM 184 O PHE A 12 -4.860 -8.936 0.460 1.00 0.00 O ATOM 185 CB PHE A 12 -8.060 -8.770 -0.094 1.00 0.00 C ATOM 186 CG PHE A 12 -9.025 -8.645 -1.274 1.00 0.00 C ATOM 187 CD1 PHE A 12 -10.053 -9.526 -1.407 1.00 0.00 C ATOM 188 CD2 PHE A 12 -8.856 -7.654 -2.189 1.00 0.00 C ATOM 189 CE1 PHE A 12 -10.950 -9.410 -2.502 1.00 0.00 C ATOM 190 CE2 PHE A 12 -9.753 -7.538 -3.285 1.00 0.00 C ATOM 191 CZ PHE A 12 -10.781 -8.419 -3.418 1.00 0.00 C ATOM 0 H PHE A 12 -8.574 -11.094 0.103 1.00 0.00 H new ATOM 0 HA PHE A 12 -6.510 -9.745 -1.285 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -8.628 -9.023 0.801 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -7.595 -7.801 0.086 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -10.187 -10.313 -0.680 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.040 -6.955 -2.083 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -11.767 -10.109 -2.607 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -9.619 -6.751 -4.012 1.00 0.00 H new ATOM 0 HZ PHE A 12 -11.463 -8.331 -4.251 1.00 0.00 H new ATOM 201 N LYS A 13 -6.085 -10.147 1.925 1.00 0.00 N ATOM 202 CA LYS A 13 -5.125 -10.015 3.007 1.00 0.00 C ATOM 203 C LYS A 13 -3.708 -10.140 2.445 1.00 0.00 C ATOM 204 O LYS A 13 -2.920 -9.199 2.525 1.00 0.00 O ATOM 205 CB LYS A 13 -5.435 -11.017 4.122 1.00 0.00 C ATOM 206 CG LYS A 13 -6.750 -10.669 4.823 1.00 0.00 C ATOM 207 CD LYS A 13 -6.843 -11.355 6.187 1.00 0.00 C ATOM 208 CE LYS A 13 -7.870 -10.659 7.082 1.00 0.00 C ATOM 209 NZ LYS A 13 -7.194 -9.756 8.040 1.00 0.00 N ATOM 0 H LYS A 13 -6.917 -10.690 2.157 1.00 0.00 H new ATOM 0 HA LYS A 13 -5.200 -9.029 3.465 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -5.496 -12.022 3.705 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -4.622 -11.021 4.848 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.824 -9.589 4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -7.590 -10.975 4.200 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -7.121 -12.401 6.054 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.866 -11.344 6.671 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -8.570 -10.091 6.469 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -8.453 -11.404 7.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -7.905 -9.291 8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -6.544 -10.307 8.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -6.657 -9.035 7.517 1.00 0.00 H new ATOM 223 N GLU A 14 -3.427 -11.309 1.889 1.00 0.00 N ATOM 224 CA GLU A 14 -2.118 -11.569 1.313 1.00 0.00 C ATOM 225 C GLU A 14 -1.690 -10.402 0.420 1.00 0.00 C ATOM 226 O GLU A 14 -0.522 -10.016 0.414 1.00 0.00 O ATOM 227 CB GLU A 14 -2.113 -12.885 0.534 1.00 0.00 C ATOM 228 CG GLU A 14 -2.301 -14.079 1.473 1.00 0.00 C ATOM 229 CD GLU A 14 -1.528 -15.299 0.970 1.00 0.00 C ATOM 230 OE1 GLU A 14 -0.351 -15.430 1.369 1.00 0.00 O ATOM 231 OE2 GLU A 14 -2.132 -16.074 0.197 1.00 0.00 O ATOM 0 H GLU A 14 -4.083 -12.087 1.825 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.398 -11.663 2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -2.909 -12.874 -0.210 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -1.172 -12.988 -0.007 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.960 -13.816 2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -3.361 -14.322 1.550 1.00 0.00 H new ATOM 238 N ALA A 15 -2.659 -9.873 -0.312 1.00 0.00 N ATOM 239 CA ALA A 15 -2.397 -8.758 -1.207 1.00 0.00 C ATOM 240 C ALA A 15 -1.830 -7.586 -0.402 1.00 0.00 C ATOM 241 O ALA A 15 -0.741 -7.097 -0.696 1.00 0.00 O ATOM 242 CB ALA A 15 -3.682 -8.387 -1.950 1.00 0.00 C ATOM 0 H ALA A 15 -3.627 -10.195 -0.304 1.00 0.00 H new ATOM 0 HA ALA A 15 -1.655 -9.033 -1.956 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -3.486 -7.551 -2.621 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.028 -9.243 -2.529 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.449 -8.102 -1.230 1.00 0.00 H new ATOM 248 N PHE A 16 -2.595 -7.171 0.597 1.00 0.00 N ATOM 249 CA PHE A 16 -2.182 -6.066 1.446 1.00 0.00 C ATOM 250 C PHE A 16 -0.760 -6.278 1.968 1.00 0.00 C ATOM 251 O PHE A 16 -0.020 -5.316 2.172 1.00 0.00 O ATOM 252 CB PHE A 16 -3.148 -6.029 2.632 1.00 0.00 C ATOM 253 CG PHE A 16 -3.030 -4.768 3.491 1.00 0.00 C ATOM 254 CD1 PHE A 16 -3.221 -3.544 2.931 1.00 0.00 C ATOM 255 CD2 PHE A 16 -2.734 -4.872 4.814 1.00 0.00 C ATOM 256 CE1 PHE A 16 -3.112 -2.374 3.728 1.00 0.00 C ATOM 257 CE2 PHE A 16 -2.625 -3.702 5.611 1.00 0.00 C ATOM 258 CZ PHE A 16 -2.816 -2.477 5.051 1.00 0.00 C ATOM 0 H PHE A 16 -3.498 -7.580 0.838 1.00 0.00 H new ATOM 0 HA PHE A 16 -2.197 -5.135 0.879 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -4.169 -6.108 2.259 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -2.970 -6.902 3.260 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -3.456 -3.462 1.880 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -2.582 -5.844 5.259 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.264 -1.402 3.283 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -2.390 -3.785 6.662 1.00 0.00 H new ATOM 0 HZ PHE A 16 -2.733 -1.587 5.657 1.00 0.00 H new ATOM 268 N SER A 17 -0.419 -7.542 2.169 1.00 0.00 N ATOM 269 CA SER A 17 0.901 -7.892 2.664 1.00 0.00 C ATOM 270 C SER A 17 1.969 -7.448 1.662 1.00 0.00 C ATOM 271 O SER A 17 2.909 -6.741 2.023 1.00 0.00 O ATOM 272 CB SER A 17 1.011 -9.395 2.925 1.00 0.00 C ATOM 273 OG SER A 17 1.989 -9.694 3.918 1.00 0.00 O ATOM 0 H SER A 17 -1.035 -8.337 1.998 1.00 0.00 H new ATOM 0 HA SER A 17 1.060 -7.374 3.610 1.00 0.00 H new ATOM 0 HB2 SER A 17 0.042 -9.780 3.243 1.00 0.00 H new ATOM 0 HB3 SER A 17 1.268 -9.906 1.997 1.00 0.00 H new ATOM 0 HG SER A 17 2.028 -10.663 4.057 1.00 0.00 H new ATOM 279 N LEU A 18 1.790 -7.882 0.423 1.00 0.00 N ATOM 280 CA LEU A 18 2.727 -7.538 -0.633 1.00 0.00 C ATOM 281 C LEU A 18 3.238 -6.113 -0.412 1.00 0.00 C ATOM 282 O LEU A 18 4.441 -5.863 -0.483 1.00 0.00 O ATOM 283 CB LEU A 18 2.089 -7.756 -2.007 1.00 0.00 C ATOM 284 CG LEU A 18 2.680 -8.888 -2.849 1.00 0.00 C ATOM 285 CD1 LEU A 18 1.819 -10.149 -2.754 1.00 0.00 C ATOM 286 CD2 LEU A 18 2.887 -8.443 -4.298 1.00 0.00 C ATOM 0 H LEU A 18 1.010 -8.469 0.127 1.00 0.00 H new ATOM 0 HA LEU A 18 3.595 -8.197 -0.601 1.00 0.00 H new ATOM 0 HB2 LEU A 18 1.026 -7.952 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.169 -6.828 -2.574 1.00 0.00 H new ATOM 0 HG LEU A 18 3.661 -9.137 -2.446 1.00 0.00 H new ATOM 0 HD11 LEU A 18 2.261 -10.938 -3.362 1.00 0.00 H new ATOM 0 HD12 LEU A 18 1.767 -10.477 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 18 0.814 -9.932 -3.117 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.308 -9.266 -4.875 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.930 -8.150 -4.729 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.571 -7.595 -4.324 1.00 0.00 H new ATOM 298 N PHE A 19 2.300 -5.216 -0.147 1.00 0.00 N ATOM 299 CA PHE A 19 2.641 -3.823 0.086 1.00 0.00 C ATOM 300 C PHE A 19 3.062 -3.597 1.539 1.00 0.00 C ATOM 301 O PHE A 19 4.097 -2.987 1.801 1.00 0.00 O ATOM 302 CB PHE A 19 1.383 -3.001 -0.202 1.00 0.00 C ATOM 303 CG PHE A 19 1.112 -2.778 -1.691 1.00 0.00 C ATOM 304 CD1 PHE A 19 1.700 -1.738 -2.341 1.00 0.00 C ATOM 305 CD2 PHE A 19 0.284 -3.620 -2.366 1.00 0.00 C ATOM 306 CE1 PHE A 19 1.448 -1.531 -3.723 1.00 0.00 C ATOM 307 CE2 PHE A 19 0.033 -3.413 -3.748 1.00 0.00 C ATOM 308 CZ PHE A 19 0.620 -2.373 -4.397 1.00 0.00 C ATOM 0 H PHE A 19 1.304 -5.427 -0.088 1.00 0.00 H new ATOM 0 HA PHE A 19 3.473 -3.531 -0.554 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.524 -3.504 0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.474 -2.032 0.289 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.358 -1.070 -1.806 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -0.183 -4.446 -1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.914 -0.705 -4.239 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -0.624 -4.082 -4.284 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.429 -2.215 -5.448 1.00 0.00 H new ATOM 318 N ASP A 20 2.238 -4.101 2.446 1.00 0.00 N ATOM 319 CA ASP A 20 2.512 -3.962 3.866 1.00 0.00 C ATOM 320 C ASP A 20 3.660 -4.896 4.253 1.00 0.00 C ATOM 321 O ASP A 20 3.501 -6.116 4.248 1.00 0.00 O ATOM 322 CB ASP A 20 1.290 -4.342 4.703 1.00 0.00 C ATOM 323 CG ASP A 20 1.592 -4.723 6.154 1.00 0.00 C ATOM 324 OD1 ASP A 20 2.129 -3.849 6.869 1.00 0.00 O ATOM 325 OD2 ASP A 20 1.280 -5.878 6.514 1.00 0.00 O ATOM 0 H ASP A 20 1.380 -4.606 2.225 1.00 0.00 H new ATOM 0 HA ASP A 20 2.771 -2.921 4.059 1.00 0.00 H new ATOM 0 HB2 ASP A 20 0.592 -3.504 4.701 1.00 0.00 H new ATOM 0 HB3 ASP A 20 0.785 -5.179 4.221 1.00 0.00 H new ATOM 330 N LYS A 21 4.791 -4.289 4.580 1.00 0.00 N ATOM 331 CA LYS A 21 5.965 -5.051 4.970 1.00 0.00 C ATOM 332 C LYS A 21 6.735 -4.281 6.044 1.00 0.00 C ATOM 333 O LYS A 21 7.888 -3.905 5.837 1.00 0.00 O ATOM 334 CB LYS A 21 6.808 -5.402 3.742 1.00 0.00 C ATOM 335 CG LYS A 21 7.492 -4.158 3.173 1.00 0.00 C ATOM 336 CD LYS A 21 9.009 -4.351 3.102 1.00 0.00 C ATOM 337 CE LYS A 21 9.368 -5.554 2.228 1.00 0.00 C ATOM 338 NZ LYS A 21 10.714 -6.063 2.575 1.00 0.00 N ATOM 0 H LYS A 21 4.919 -3.277 4.583 1.00 0.00 H new ATOM 0 HA LYS A 21 5.671 -6.004 5.410 1.00 0.00 H new ATOM 0 HB2 LYS A 21 7.560 -6.143 4.012 1.00 0.00 H new ATOM 0 HB3 LYS A 21 6.175 -5.854 2.979 1.00 0.00 H new ATOM 0 HG2 LYS A 21 7.102 -3.947 2.177 1.00 0.00 H new ATOM 0 HG3 LYS A 21 7.260 -3.294 3.796 1.00 0.00 H new ATOM 0 HD2 LYS A 21 9.475 -3.452 2.699 1.00 0.00 H new ATOM 0 HD3 LYS A 21 9.408 -4.494 4.106 1.00 0.00 H new ATOM 0 HE2 LYS A 21 8.628 -6.343 2.363 1.00 0.00 H new ATOM 0 HE3 LYS A 21 9.341 -5.268 1.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 10.942 -6.879 1.973 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 11.418 -5.313 2.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 10.728 -6.355 3.573 1.00 0.00 H new ATOM 352 N ASP A 22 6.067 -4.069 7.168 1.00 0.00 N ATOM 353 CA ASP A 22 6.674 -3.350 8.276 1.00 0.00 C ATOM 354 C ASP A 22 6.142 -3.912 9.596 1.00 0.00 C ATOM 355 O ASP A 22 6.914 -4.184 10.515 1.00 0.00 O ATOM 356 CB ASP A 22 6.327 -1.861 8.222 1.00 0.00 C ATOM 357 CG ASP A 22 4.977 -1.489 8.838 1.00 0.00 C ATOM 358 OD1 ASP A 22 4.946 -1.321 10.076 1.00 0.00 O ATOM 359 OD2 ASP A 22 4.008 -1.381 8.057 1.00 0.00 O ATOM 0 H ASP A 22 5.111 -4.382 7.336 1.00 0.00 H new ATOM 0 HA ASP A 22 7.755 -3.471 8.205 1.00 0.00 H new ATOM 0 HB2 ASP A 22 7.110 -1.302 8.735 1.00 0.00 H new ATOM 0 HB3 ASP A 22 6.335 -1.539 7.181 1.00 0.00 H new ATOM 364 N GLY A 23 4.828 -4.070 9.648 1.00 0.00 N ATOM 365 CA GLY A 23 4.184 -4.595 10.840 1.00 0.00 C ATOM 366 C GLY A 23 3.367 -3.510 11.544 1.00 0.00 C ATOM 367 O GLY A 23 3.896 -2.767 12.370 1.00 0.00 O ATOM 0 H GLY A 23 4.191 -3.844 8.884 1.00 0.00 H new ATOM 0 HA2 GLY A 23 3.534 -5.427 10.570 1.00 0.00 H new ATOM 0 HA3 GLY A 23 4.938 -4.988 11.522 1.00 0.00 H new ATOM 371 N ASP A 24 2.091 -3.453 11.193 1.00 0.00 N ATOM 372 CA ASP A 24 1.196 -2.472 11.781 1.00 0.00 C ATOM 373 C ASP A 24 -0.105 -2.427 10.977 1.00 0.00 C ATOM 374 O ASP A 24 -0.806 -1.416 10.978 1.00 0.00 O ATOM 375 CB ASP A 24 1.816 -1.074 11.753 1.00 0.00 C ATOM 376 CG ASP A 24 2.375 -0.641 10.396 1.00 0.00 C ATOM 377 OD1 ASP A 24 1.983 -1.275 9.393 1.00 0.00 O ATOM 378 OD2 ASP A 24 3.182 0.313 10.393 1.00 0.00 O ATOM 0 H ASP A 24 1.656 -4.071 10.508 1.00 0.00 H new ATOM 0 HA ASP A 24 1.009 -2.764 12.814 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.061 -0.352 12.065 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.619 -1.034 12.489 1.00 0.00 H new ATOM 383 N GLY A 25 -0.389 -3.537 10.310 1.00 0.00 N ATOM 384 CA GLY A 25 -1.594 -3.637 9.504 1.00 0.00 C ATOM 385 C GLY A 25 -1.853 -2.336 8.741 1.00 0.00 C ATOM 386 O GLY A 25 -2.998 -1.907 8.610 1.00 0.00 O ATOM 0 H GLY A 25 0.194 -4.374 10.311 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.497 -4.463 8.799 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -2.447 -3.863 10.145 1.00 0.00 H new ATOM 390 N THR A 26 -0.770 -1.746 8.257 1.00 0.00 N ATOM 391 CA THR A 26 -0.866 -0.503 7.510 1.00 0.00 C ATOM 392 C THR A 26 0.158 -0.484 6.373 1.00 0.00 C ATOM 393 O THR A 26 1.167 -1.184 6.430 1.00 0.00 O ATOM 394 CB THR A 26 -0.701 0.655 8.497 1.00 0.00 C ATOM 395 OG1 THR A 26 -1.678 1.606 8.082 1.00 0.00 O ATOM 396 CG2 THR A 26 0.631 1.388 8.322 1.00 0.00 C ATOM 0 H THR A 26 0.178 -2.105 8.367 1.00 0.00 H new ATOM 0 HA THR A 26 -1.839 -0.403 7.030 1.00 0.00 H new ATOM 0 HB THR A 26 -0.776 0.277 9.517 1.00 0.00 H new ATOM 0 HG1 THR A 26 -1.741 1.605 7.104 1.00 0.00 H new ATOM 0 HG21 THR A 26 0.697 2.200 9.046 1.00 0.00 H new ATOM 0 HG22 THR A 26 1.454 0.691 8.482 1.00 0.00 H new ATOM 0 HG23 THR A 26 0.692 1.796 7.313 1.00 0.00 H new ATOM 404 N ILE A 27 -0.138 0.327 5.368 1.00 0.00 N ATOM 405 CA ILE A 27 0.744 0.447 4.219 1.00 0.00 C ATOM 406 C ILE A 27 1.157 1.910 4.049 1.00 0.00 C ATOM 407 O ILE A 27 0.599 2.623 3.217 1.00 0.00 O ATOM 408 CB ILE A 27 0.089 -0.156 2.975 1.00 0.00 C ATOM 409 CG1 ILE A 27 -0.174 -1.651 3.164 1.00 0.00 C ATOM 410 CG2 ILE A 27 0.925 0.125 1.725 1.00 0.00 C ATOM 411 CD1 ILE A 27 -0.888 -2.241 1.946 1.00 0.00 C ATOM 0 H ILE A 27 -0.976 0.907 5.325 1.00 0.00 H new ATOM 0 HA ILE A 27 1.657 -0.126 4.379 1.00 0.00 H new ATOM 0 HB ILE A 27 -0.878 0.325 2.831 1.00 0.00 H new ATOM 0 HG12 ILE A 27 0.770 -2.172 3.325 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -0.780 -1.807 4.056 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.437 -0.314 0.855 1.00 0.00 H new ATOM 0 HG22 ILE A 27 1.018 1.202 1.584 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.916 -0.312 1.844 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -1.063 -3.305 2.107 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.842 -1.734 1.803 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -0.268 -2.105 1.060 1.00 0.00 H new ATOM 423 N THR A 28 2.130 2.315 4.852 1.00 0.00 N ATOM 424 CA THR A 28 2.624 3.680 4.800 1.00 0.00 C ATOM 425 C THR A 28 3.150 4.005 3.401 1.00 0.00 C ATOM 426 O THR A 28 2.708 3.417 2.415 1.00 0.00 O ATOM 427 CB THR A 28 3.677 3.844 5.899 1.00 0.00 C ATOM 428 OG1 THR A 28 4.089 5.203 5.784 1.00 0.00 O ATOM 429 CG2 THR A 28 4.949 3.044 5.614 1.00 0.00 C ATOM 0 H THR A 28 2.589 1.721 5.542 1.00 0.00 H new ATOM 0 HA THR A 28 1.824 4.397 4.986 1.00 0.00 H new ATOM 0 HB THR A 28 3.257 3.530 6.855 1.00 0.00 H new ATOM 0 HG1 THR A 28 4.771 5.397 6.461 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.663 3.195 6.424 1.00 0.00 H new ATOM 0 HG22 THR A 28 4.704 1.985 5.540 1.00 0.00 H new ATOM 0 HG23 THR A 28 5.388 3.381 4.675 1.00 0.00 H new ATOM 437 N THR A 29 4.088 4.940 3.359 1.00 0.00 N ATOM 438 CA THR A 29 4.679 5.350 2.096 1.00 0.00 C ATOM 439 C THR A 29 5.826 4.413 1.715 1.00 0.00 C ATOM 440 O THR A 29 5.770 3.744 0.684 1.00 0.00 O ATOM 441 CB THR A 29 5.108 6.813 2.228 1.00 0.00 C ATOM 442 OG1 THR A 29 5.521 6.933 3.587 1.00 0.00 O ATOM 443 CG2 THR A 29 3.930 7.782 2.110 1.00 0.00 C ATOM 0 H THR A 29 4.453 5.425 4.179 1.00 0.00 H new ATOM 0 HA THR A 29 3.959 5.279 1.281 1.00 0.00 H new ATOM 0 HB THR A 29 5.847 7.045 1.461 1.00 0.00 H new ATOM 0 HG1 THR A 29 5.817 7.851 3.759 1.00 0.00 H new ATOM 0 HG21 THR A 29 4.290 8.806 2.211 1.00 0.00 H new ATOM 0 HG22 THR A 29 3.454 7.659 1.137 1.00 0.00 H new ATOM 0 HG23 THR A 29 3.206 7.573 2.898 1.00 0.00 H new ATOM 451 N LYS A 30 6.840 4.393 2.568 1.00 0.00 N ATOM 452 CA LYS A 30 7.999 3.548 2.333 1.00 0.00 C ATOM 453 C LYS A 30 7.536 2.194 1.792 1.00 0.00 C ATOM 454 O LYS A 30 7.994 1.753 0.739 1.00 0.00 O ATOM 455 CB LYS A 30 8.852 3.446 3.599 1.00 0.00 C ATOM 456 CG LYS A 30 10.304 3.835 3.315 1.00 0.00 C ATOM 457 CD LYS A 30 10.981 4.383 4.573 1.00 0.00 C ATOM 458 CE LYS A 30 12.391 3.809 4.731 1.00 0.00 C ATOM 459 NZ LYS A 30 12.844 3.925 6.135 1.00 0.00 N ATOM 0 H LYS A 30 6.883 4.948 3.423 1.00 0.00 H new ATOM 0 HA LYS A 30 8.646 3.990 1.575 1.00 0.00 H new ATOM 0 HB2 LYS A 30 8.442 4.097 4.371 1.00 0.00 H new ATOM 0 HB3 LYS A 30 8.814 2.428 3.986 1.00 0.00 H new ATOM 0 HG2 LYS A 30 10.853 2.966 2.952 1.00 0.00 H new ATOM 0 HG3 LYS A 30 10.335 4.585 2.525 1.00 0.00 H new ATOM 0 HD2 LYS A 30 11.031 5.471 4.519 1.00 0.00 H new ATOM 0 HD3 LYS A 30 10.383 4.135 5.450 1.00 0.00 H new ATOM 0 HE2 LYS A 30 12.400 2.763 4.425 1.00 0.00 H new ATOM 0 HE3 LYS A 30 13.081 4.339 4.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 13.802 3.531 6.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 12.854 4.927 6.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 12.194 3.399 6.754 1.00 0.00 H new ATOM 473 N GLU A 31 6.635 1.572 2.537 1.00 0.00 N ATOM 474 CA GLU A 31 6.105 0.277 2.145 1.00 0.00 C ATOM 475 C GLU A 31 5.485 0.357 0.749 1.00 0.00 C ATOM 476 O GLU A 31 5.682 -0.535 -0.074 1.00 0.00 O ATOM 477 CB GLU A 31 5.088 -0.232 3.169 1.00 0.00 C ATOM 478 CG GLU A 31 5.757 -0.509 4.516 1.00 0.00 C ATOM 479 CD GLU A 31 4.724 -0.915 5.569 1.00 0.00 C ATOM 480 OE1 GLU A 31 4.019 -0.004 6.053 1.00 0.00 O ATOM 481 OE2 GLU A 31 4.662 -2.128 5.866 1.00 0.00 O ATOM 0 H GLU A 31 6.258 1.941 3.410 1.00 0.00 H new ATOM 0 HA GLU A 31 6.929 -0.436 2.114 1.00 0.00 H new ATOM 0 HB2 GLU A 31 4.296 0.506 3.297 1.00 0.00 H new ATOM 0 HB3 GLU A 31 4.618 -1.143 2.798 1.00 0.00 H new ATOM 0 HG2 GLU A 31 6.496 -1.302 4.402 1.00 0.00 H new ATOM 0 HG3 GLU A 31 6.292 0.380 4.850 1.00 0.00 H new ATOM 488 N LEU A 32 4.747 1.435 0.525 1.00 0.00 N ATOM 489 CA LEU A 32 4.097 1.644 -0.757 1.00 0.00 C ATOM 490 C LEU A 32 5.162 1.848 -1.837 1.00 0.00 C ATOM 491 O LEU A 32 4.908 1.609 -3.016 1.00 0.00 O ATOM 492 CB LEU A 32 3.087 2.789 -0.665 1.00 0.00 C ATOM 493 CG LEU A 32 1.946 2.760 -1.684 1.00 0.00 C ATOM 494 CD1 LEU A 32 0.691 2.123 -1.085 1.00 0.00 C ATOM 495 CD2 LEU A 32 1.669 4.160 -2.238 1.00 0.00 C ATOM 0 H LEU A 32 4.585 2.173 1.210 1.00 0.00 H new ATOM 0 HA LEU A 32 3.520 0.763 -1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.654 2.786 0.335 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.624 3.731 -0.777 1.00 0.00 H new ATOM 0 HG LEU A 32 2.254 2.136 -2.523 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.104 2.115 -1.830 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.912 1.100 -0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.369 2.699 -0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.854 4.111 -2.960 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.391 4.826 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.565 4.541 -2.728 1.00 0.00 H new ATOM 507 N GLY A 33 6.330 2.288 -1.395 1.00 0.00 N ATOM 508 CA GLY A 33 7.435 2.527 -2.308 1.00 0.00 C ATOM 509 C GLY A 33 8.426 1.362 -2.287 1.00 0.00 C ATOM 510 O GLY A 33 9.570 1.508 -2.715 1.00 0.00 O ATOM 0 H GLY A 33 6.536 2.486 -0.416 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.052 2.665 -3.319 1.00 0.00 H new ATOM 0 HA3 GLY A 33 7.946 3.449 -2.032 1.00 0.00 H new ATOM 514 N THR A 34 7.952 0.232 -1.784 1.00 0.00 N ATOM 515 CA THR A 34 8.782 -0.957 -1.700 1.00 0.00 C ATOM 516 C THR A 34 8.376 -1.968 -2.775 1.00 0.00 C ATOM 517 O THR A 34 9.232 -2.548 -3.442 1.00 0.00 O ATOM 518 CB THR A 34 8.677 -1.509 -0.277 1.00 0.00 C ATOM 519 OG1 THR A 34 9.894 -1.103 0.343 1.00 0.00 O ATOM 520 CG2 THR A 34 8.730 -3.038 -0.236 1.00 0.00 C ATOM 0 H THR A 34 7.003 0.115 -1.430 1.00 0.00 H new ATOM 0 HA THR A 34 9.828 -0.723 -1.896 1.00 0.00 H new ATOM 0 HB THR A 34 7.748 -1.166 0.178 1.00 0.00 H new ATOM 0 HG1 THR A 34 9.909 -1.418 1.271 1.00 0.00 H new ATOM 0 HG21 THR A 34 8.652 -3.377 0.797 1.00 0.00 H new ATOM 0 HG22 THR A 34 7.902 -3.446 -0.816 1.00 0.00 H new ATOM 0 HG23 THR A 34 9.674 -3.381 -0.660 1.00 0.00 H new ATOM 528 N VAL A 35 7.070 -2.147 -2.911 1.00 0.00 N ATOM 529 CA VAL A 35 6.540 -3.077 -3.893 1.00 0.00 C ATOM 530 C VAL A 35 6.828 -2.545 -5.299 1.00 0.00 C ATOM 531 O VAL A 35 6.917 -3.318 -6.252 1.00 0.00 O ATOM 532 CB VAL A 35 5.051 -3.316 -3.637 1.00 0.00 C ATOM 533 CG1 VAL A 35 4.316 -3.638 -4.940 1.00 0.00 C ATOM 534 CG2 VAL A 35 4.844 -4.424 -2.602 1.00 0.00 C ATOM 0 H VAL A 35 6.363 -1.663 -2.357 1.00 0.00 H new ATOM 0 HA VAL A 35 7.030 -4.047 -3.805 1.00 0.00 H new ATOM 0 HB VAL A 35 4.628 -2.396 -3.232 1.00 0.00 H new ATOM 0 HG11 VAL A 35 3.259 -3.804 -4.730 1.00 0.00 H new ATOM 0 HG12 VAL A 35 4.422 -2.804 -5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 35 4.743 -4.537 -5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.777 -4.574 -2.438 1.00 0.00 H new ATOM 0 HG22 VAL A 35 5.289 -5.350 -2.966 1.00 0.00 H new ATOM 0 HG23 VAL A 35 5.318 -4.138 -1.663 1.00 0.00 H new ATOM 544 N MET A 36 6.964 -1.230 -5.383 1.00 0.00 N ATOM 545 CA MET A 36 7.240 -0.587 -6.656 1.00 0.00 C ATOM 546 C MET A 36 8.669 -0.876 -7.119 1.00 0.00 C ATOM 547 O MET A 36 8.901 -1.149 -8.296 1.00 0.00 O ATOM 548 CB MET A 36 7.043 0.924 -6.518 1.00 0.00 C ATOM 549 CG MET A 36 5.622 1.252 -6.056 1.00 0.00 C ATOM 550 SD MET A 36 4.792 2.239 -7.291 1.00 0.00 S ATOM 551 CE MET A 36 4.021 0.948 -8.252 1.00 0.00 C ATOM 0 H MET A 36 6.888 -0.592 -4.590 1.00 0.00 H new ATOM 0 HA MET A 36 6.550 -0.986 -7.400 1.00 0.00 H new ATOM 0 HB2 MET A 36 7.763 1.324 -5.804 1.00 0.00 H new ATOM 0 HB3 MET A 36 7.239 1.409 -7.474 1.00 0.00 H new ATOM 0 HG2 MET A 36 5.066 0.331 -5.880 1.00 0.00 H new ATOM 0 HG3 MET A 36 5.654 1.791 -5.109 1.00 0.00 H new ATOM 0 HE1 MET A 36 3.400 1.394 -9.029 1.00 0.00 H new ATOM 0 HE2 MET A 36 4.790 0.329 -8.714 1.00 0.00 H new ATOM 0 HE3 MET A 36 3.401 0.331 -7.601 1.00 0.00 H new ATOM 561 N ARG A 37 9.590 -0.805 -6.169 1.00 0.00 N ATOM 562 CA ARG A 37 10.991 -1.056 -6.465 1.00 0.00 C ATOM 563 C ARG A 37 11.250 -2.560 -6.570 1.00 0.00 C ATOM 564 O ARG A 37 12.369 -2.982 -6.860 1.00 0.00 O ATOM 565 CB ARG A 37 11.896 -0.463 -5.383 1.00 0.00 C ATOM 566 CG ARG A 37 11.600 -1.086 -4.018 1.00 0.00 C ATOM 567 CD ARG A 37 12.576 -0.573 -2.957 1.00 0.00 C ATOM 568 NE ARG A 37 11.958 0.535 -2.195 1.00 0.00 N ATOM 569 CZ ARG A 37 12.429 0.999 -1.029 1.00 0.00 C ATOM 570 NH1 ARG A 37 13.524 0.452 -0.484 1.00 0.00 N ATOM 571 NH2 ARG A 37 11.804 2.008 -0.408 1.00 0.00 N ATOM 0 H ARG A 37 9.394 -0.577 -5.194 1.00 0.00 H new ATOM 0 HA ARG A 37 11.220 -0.578 -7.417 1.00 0.00 H new ATOM 0 HB2 ARG A 37 12.940 -0.632 -5.645 1.00 0.00 H new ATOM 0 HB3 ARG A 37 11.750 0.616 -5.333 1.00 0.00 H new ATOM 0 HG2 ARG A 37 10.578 -0.851 -3.721 1.00 0.00 H new ATOM 0 HG3 ARG A 37 11.670 -2.172 -4.087 1.00 0.00 H new ATOM 0 HD2 ARG A 37 12.849 -1.383 -2.280 1.00 0.00 H new ATOM 0 HD3 ARG A 37 13.495 -0.230 -3.432 1.00 0.00 H new ATOM 0 HE ARG A 37 11.122 0.973 -2.581 1.00 0.00 H new ATOM 0 HH11 ARG A 37 13.999 -0.317 -0.956 1.00 0.00 H new ATOM 0 HH12 ARG A 37 13.883 0.805 0.403 1.00 0.00 H new ATOM 0 HH21 ARG A 37 10.970 2.423 -0.822 1.00 0.00 H new ATOM 0 HH22 ARG A 37 12.162 2.361 0.479 1.00 0.00 H new ATOM 585 N SER A 38 10.198 -3.328 -6.329 1.00 0.00 N ATOM 586 CA SER A 38 10.298 -4.776 -6.392 1.00 0.00 C ATOM 587 C SER A 38 9.802 -5.275 -7.751 1.00 0.00 C ATOM 588 O SER A 38 9.626 -6.477 -7.948 1.00 0.00 O ATOM 589 CB SER A 38 9.502 -5.433 -5.263 1.00 0.00 C ATOM 590 OG SER A 38 9.811 -6.818 -5.128 1.00 0.00 O ATOM 0 H SER A 38 9.272 -2.975 -6.090 1.00 0.00 H new ATOM 0 HA SER A 38 11.345 -5.052 -6.270 1.00 0.00 H new ATOM 0 HB2 SER A 38 9.714 -4.921 -4.324 1.00 0.00 H new ATOM 0 HB3 SER A 38 8.436 -5.317 -5.456 1.00 0.00 H new ATOM 0 HG SER A 38 9.849 -7.233 -6.015 1.00 0.00 H new ATOM 596 N LEU A 39 9.591 -4.328 -8.653 1.00 0.00 N ATOM 597 CA LEU A 39 9.119 -4.656 -9.987 1.00 0.00 C ATOM 598 C LEU A 39 9.981 -3.931 -11.022 1.00 0.00 C ATOM 599 O LEU A 39 10.794 -4.554 -11.704 1.00 0.00 O ATOM 600 CB LEU A 39 7.624 -4.358 -10.115 1.00 0.00 C ATOM 601 CG LEU A 39 6.881 -5.111 -11.221 1.00 0.00 C ATOM 602 CD1 LEU A 39 5.640 -5.814 -10.668 1.00 0.00 C ATOM 603 CD2 LEU A 39 6.541 -4.179 -12.386 1.00 0.00 C ATOM 0 H LEU A 39 9.738 -3.333 -8.486 1.00 0.00 H new ATOM 0 HA LEU A 39 9.225 -5.724 -10.176 1.00 0.00 H new ATOM 0 HB2 LEU A 39 7.146 -4.587 -9.163 1.00 0.00 H new ATOM 0 HB3 LEU A 39 7.500 -3.288 -10.285 1.00 0.00 H new ATOM 0 HG LEU A 39 7.542 -5.885 -11.611 1.00 0.00 H new ATOM 0 HD11 LEU A 39 5.131 -6.341 -11.475 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.938 -6.527 -9.900 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.966 -5.075 -10.235 1.00 0.00 H new ATOM 0 HD21 LEU A 39 6.014 -4.739 -13.158 1.00 0.00 H new ATOM 0 HD22 LEU A 39 5.907 -3.367 -12.029 1.00 0.00 H new ATOM 0 HD23 LEU A 39 7.460 -3.766 -12.802 1.00 0.00 H new ATOM 615 N GLY A 40 9.776 -2.625 -11.106 1.00 0.00 N ATOM 616 CA GLY A 40 10.525 -1.808 -12.045 1.00 0.00 C ATOM 617 C GLY A 40 10.137 -0.334 -11.920 1.00 0.00 C ATOM 618 O GLY A 40 10.114 0.392 -12.913 1.00 0.00 O ATOM 0 H GLY A 40 9.101 -2.112 -10.539 1.00 0.00 H new ATOM 0 HA2 GLY A 40 11.593 -1.923 -11.861 1.00 0.00 H new ATOM 0 HA3 GLY A 40 10.337 -2.152 -13.062 1.00 0.00 H new ATOM 622 N GLN A 41 9.842 0.066 -10.692 1.00 0.00 N ATOM 623 CA GLN A 41 9.457 1.441 -10.424 1.00 0.00 C ATOM 624 C GLN A 41 10.236 1.987 -9.226 1.00 0.00 C ATOM 625 O GLN A 41 11.067 1.286 -8.650 1.00 0.00 O ATOM 626 CB GLN A 41 7.949 1.553 -10.194 1.00 0.00 C ATOM 627 CG GLN A 41 7.191 1.564 -11.523 1.00 0.00 C ATOM 628 CD GLN A 41 5.992 0.613 -11.479 1.00 0.00 C ATOM 629 OE1 GLN A 41 6.111 -0.585 -11.675 1.00 0.00 O ATOM 630 NE2 GLN A 41 4.836 1.213 -11.212 1.00 0.00 N ATOM 0 H GLN A 41 9.862 -0.539 -9.871 1.00 0.00 H new ATOM 0 HA GLN A 41 9.704 2.044 -11.298 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.608 0.717 -9.583 1.00 0.00 H new ATOM 0 HB3 GLN A 41 7.729 2.464 -9.638 1.00 0.00 H new ATOM 0 HG2 GLN A 41 6.849 2.576 -11.742 1.00 0.00 H new ATOM 0 HG3 GLN A 41 7.862 1.272 -12.331 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.808 2.221 -11.058 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.977 0.665 -11.161 1.00 0.00 H new ATOM 639 N ASN A 42 9.941 3.233 -8.887 1.00 0.00 N ATOM 640 CA ASN A 42 10.603 3.881 -7.768 1.00 0.00 C ATOM 641 C ASN A 42 10.136 5.335 -7.676 1.00 0.00 C ATOM 642 O ASN A 42 10.894 6.255 -7.977 1.00 0.00 O ATOM 643 CB ASN A 42 12.122 3.884 -7.953 1.00 0.00 C ATOM 644 CG ASN A 42 12.820 4.527 -6.753 1.00 0.00 C ATOM 645 OD1 ASN A 42 12.253 5.329 -6.029 1.00 0.00 O ATOM 646 ND2 ASN A 42 14.079 4.133 -6.584 1.00 0.00 N ATOM 0 H ASN A 42 9.252 3.811 -9.368 1.00 0.00 H new ATOM 0 HA ASN A 42 10.351 3.329 -6.862 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.478 2.862 -8.080 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.380 4.427 -8.862 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.631 4.506 -5.811 1.00 0.00 H new ATOM 0 HD22 ASN A 42 14.493 3.458 -7.227 1.00 0.00 H new ATOM 653 N PRO A 43 8.855 5.501 -7.249 1.00 0.00 N ATOM 654 CA PRO A 43 8.277 6.827 -7.114 1.00 0.00 C ATOM 655 C PRO A 43 8.820 7.538 -5.873 1.00 0.00 C ATOM 656 O PRO A 43 9.261 6.890 -4.925 1.00 0.00 O ATOM 657 CB PRO A 43 6.776 6.598 -7.058 1.00 0.00 C ATOM 658 CG PRO A 43 6.591 5.134 -6.696 1.00 0.00 C ATOM 659 CD PRO A 43 7.927 4.435 -6.884 1.00 0.00 C ATOM 0 HA PRO A 43 8.535 7.485 -7.944 1.00 0.00 H new ATOM 0 HB2 PRO A 43 6.310 7.246 -6.316 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.310 6.825 -8.017 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.251 5.036 -5.665 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.829 4.678 -7.328 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.242 3.931 -5.970 1.00 0.00 H new ATOM 0 HD3 PRO A 43 7.870 3.675 -7.664 1.00 0.00 H new ATOM 667 N THR A 44 8.771 8.862 -5.919 1.00 0.00 N ATOM 668 CA THR A 44 9.253 9.668 -4.810 1.00 0.00 C ATOM 669 C THR A 44 8.214 9.706 -3.688 1.00 0.00 C ATOM 670 O THR A 44 7.021 9.531 -3.935 1.00 0.00 O ATOM 671 CB THR A 44 9.612 11.052 -5.353 1.00 0.00 C ATOM 672 OG1 THR A 44 8.404 11.514 -5.954 1.00 0.00 O ATOM 673 CG2 THR A 44 10.604 10.986 -6.516 1.00 0.00 C ATOM 0 H THR A 44 8.405 9.396 -6.707 1.00 0.00 H new ATOM 0 HA THR A 44 10.149 9.235 -4.366 1.00 0.00 H new ATOM 0 HB THR A 44 10.033 11.658 -4.551 1.00 0.00 H new ATOM 0 HG1 THR A 44 8.547 12.407 -6.331 1.00 0.00 H new ATOM 0 HG21 THR A 44 10.825 11.995 -6.864 1.00 0.00 H new ATOM 0 HG22 THR A 44 11.525 10.508 -6.182 1.00 0.00 H new ATOM 0 HG23 THR A 44 10.170 10.408 -7.332 1.00 0.00 H new ATOM 681 N GLU A 45 8.704 9.936 -2.479 1.00 0.00 N ATOM 682 CA GLU A 45 7.833 10.000 -1.318 1.00 0.00 C ATOM 683 C GLU A 45 6.662 10.948 -1.583 1.00 0.00 C ATOM 684 O GLU A 45 5.616 10.844 -0.945 1.00 0.00 O ATOM 685 CB GLU A 45 8.611 10.425 -0.071 1.00 0.00 C ATOM 686 CG GLU A 45 8.300 9.503 1.110 1.00 0.00 C ATOM 687 CD GLU A 45 8.778 10.119 2.427 1.00 0.00 C ATOM 688 OE1 GLU A 45 8.042 10.984 2.949 1.00 0.00 O ATOM 689 OE2 GLU A 45 9.869 9.711 2.882 1.00 0.00 O ATOM 0 H GLU A 45 9.694 10.080 -2.278 1.00 0.00 H new ATOM 0 HA GLU A 45 7.433 9.003 -1.134 1.00 0.00 H new ATOM 0 HB2 GLU A 45 9.680 10.405 -0.281 1.00 0.00 H new ATOM 0 HB3 GLU A 45 8.356 11.453 0.188 1.00 0.00 H new ATOM 0 HG2 GLU A 45 7.227 9.318 1.159 1.00 0.00 H new ATOM 0 HG3 GLU A 45 8.783 8.538 0.959 1.00 0.00 H new ATOM 696 N ALA A 46 6.878 11.853 -2.527 1.00 0.00 N ATOM 697 CA ALA A 46 5.853 12.819 -2.886 1.00 0.00 C ATOM 698 C ALA A 46 4.760 12.121 -3.697 1.00 0.00 C ATOM 699 O ALA A 46 3.573 12.326 -3.451 1.00 0.00 O ATOM 700 CB ALA A 46 6.493 13.982 -3.648 1.00 0.00 C ATOM 0 H ALA A 46 7.747 11.938 -3.054 1.00 0.00 H new ATOM 0 HA ALA A 46 5.385 13.232 -1.992 1.00 0.00 H new ATOM 0 HB1 ALA A 46 5.725 14.707 -3.918 1.00 0.00 H new ATOM 0 HB2 ALA A 46 7.240 14.463 -3.017 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.970 13.605 -4.553 1.00 0.00 H new ATOM 706 N GLU A 47 5.201 11.309 -4.647 1.00 0.00 N ATOM 707 CA GLU A 47 4.274 10.579 -5.496 1.00 0.00 C ATOM 708 C GLU A 47 3.359 9.696 -4.646 1.00 0.00 C ATOM 709 O GLU A 47 2.139 9.851 -4.674 1.00 0.00 O ATOM 710 CB GLU A 47 5.025 9.749 -6.539 1.00 0.00 C ATOM 711 CG GLU A 47 4.067 8.830 -7.301 1.00 0.00 C ATOM 712 CD GLU A 47 4.143 9.088 -8.807 1.00 0.00 C ATOM 713 OE1 GLU A 47 4.991 8.436 -9.453 1.00 0.00 O ATOM 714 OE2 GLU A 47 3.350 9.932 -9.279 1.00 0.00 O ATOM 0 H GLU A 47 6.187 11.141 -4.847 1.00 0.00 H new ATOM 0 HA GLU A 47 3.655 11.300 -6.031 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.533 10.412 -7.239 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.795 9.152 -6.049 1.00 0.00 H new ATOM 0 HG2 GLU A 47 4.314 7.789 -7.094 1.00 0.00 H new ATOM 0 HG3 GLU A 47 3.047 8.991 -6.952 1.00 0.00 H new ATOM 721 N LEU A 48 3.983 8.787 -3.911 1.00 0.00 N ATOM 722 CA LEU A 48 3.240 7.879 -3.054 1.00 0.00 C ATOM 723 C LEU A 48 2.144 8.656 -2.323 1.00 0.00 C ATOM 724 O LEU A 48 0.964 8.330 -2.440 1.00 0.00 O ATOM 725 CB LEU A 48 4.190 7.127 -2.119 1.00 0.00 C ATOM 726 CG LEU A 48 5.261 6.271 -2.797 1.00 0.00 C ATOM 727 CD1 LEU A 48 6.540 6.228 -1.958 1.00 0.00 C ATOM 728 CD2 LEU A 48 4.730 4.870 -3.105 1.00 0.00 C ATOM 0 H LEU A 48 4.995 8.660 -3.891 1.00 0.00 H new ATOM 0 HA LEU A 48 2.744 7.113 -3.650 1.00 0.00 H new ATOM 0 HB2 LEU A 48 4.687 7.854 -1.477 1.00 0.00 H new ATOM 0 HB3 LEU A 48 3.596 6.483 -1.471 1.00 0.00 H new ATOM 0 HG LEU A 48 5.516 6.735 -3.750 1.00 0.00 H new ATOM 0 HD11 LEU A 48 7.285 5.613 -2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.928 7.239 -1.834 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.319 5.801 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.512 4.282 -3.587 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.429 4.383 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 48 3.870 4.945 -3.771 1.00 0.00 H new ATOM 740 N GLN A 49 2.573 9.669 -1.584 1.00 0.00 N ATOM 741 CA GLN A 49 1.643 10.495 -0.834 1.00 0.00 C ATOM 742 C GLN A 49 0.414 10.819 -1.686 1.00 0.00 C ATOM 743 O GLN A 49 -0.714 10.767 -1.200 1.00 0.00 O ATOM 744 CB GLN A 49 2.321 11.775 -0.341 1.00 0.00 C ATOM 745 CG GLN A 49 1.877 12.117 1.083 1.00 0.00 C ATOM 746 CD GLN A 49 2.852 11.545 2.113 1.00 0.00 C ATOM 747 OE1 GLN A 49 4.058 11.704 2.020 1.00 0.00 O ATOM 748 NE2 GLN A 49 2.265 10.871 3.098 1.00 0.00 N ATOM 0 H GLN A 49 3.553 9.936 -1.489 1.00 0.00 H new ATOM 0 HA GLN A 49 1.316 9.935 0.042 1.00 0.00 H new ATOM 0 HB2 GLN A 49 3.404 11.651 -0.368 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.078 12.601 -1.010 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.814 13.199 1.198 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.878 11.719 1.262 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.250 10.775 3.116 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.830 10.450 3.835 1.00 0.00 H new ATOM 757 N ASP A 50 0.675 11.146 -2.944 1.00 0.00 N ATOM 758 CA ASP A 50 -0.396 11.477 -3.868 1.00 0.00 C ATOM 759 C ASP A 50 -1.228 10.225 -4.149 1.00 0.00 C ATOM 760 O ASP A 50 -2.448 10.303 -4.283 1.00 0.00 O ATOM 761 CB ASP A 50 0.163 11.982 -5.200 1.00 0.00 C ATOM 762 CG ASP A 50 -0.130 13.451 -5.509 1.00 0.00 C ATOM 763 OD1 ASP A 50 0.636 14.301 -5.005 1.00 0.00 O ATOM 764 OD2 ASP A 50 -1.113 13.692 -6.242 1.00 0.00 O ATOM 0 H ASP A 50 1.612 11.189 -3.344 1.00 0.00 H new ATOM 0 HA ASP A 50 -1.005 12.258 -3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 50 1.243 11.834 -5.203 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.245 11.369 -6.004 1.00 0.00 H new ATOM 769 N MET A 51 -0.535 9.098 -4.229 1.00 0.00 N ATOM 770 CA MET A 51 -1.195 7.831 -4.491 1.00 0.00 C ATOM 771 C MET A 51 -1.984 7.360 -3.267 1.00 0.00 C ATOM 772 O MET A 51 -3.171 7.053 -3.370 1.00 0.00 O ATOM 773 CB MET A 51 -0.149 6.777 -4.860 1.00 0.00 C ATOM 774 CG MET A 51 0.766 7.281 -5.978 1.00 0.00 C ATOM 775 SD MET A 51 2.229 6.264 -6.074 1.00 0.00 S ATOM 776 CE MET A 51 1.970 5.497 -7.665 1.00 0.00 C ATOM 0 H MET A 51 0.477 9.037 -4.117 1.00 0.00 H new ATOM 0 HA MET A 51 -1.892 7.970 -5.318 1.00 0.00 H new ATOM 0 HB2 MET A 51 0.447 6.528 -3.982 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.647 5.861 -5.178 1.00 0.00 H new ATOM 0 HG2 MET A 51 0.236 7.261 -6.930 1.00 0.00 H new ATOM 0 HG3 MET A 51 1.045 8.318 -5.791 1.00 0.00 H new ATOM 0 HE1 MET A 51 2.799 4.824 -7.884 1.00 0.00 H new ATOM 0 HE2 MET A 51 1.038 4.932 -7.649 1.00 0.00 H new ATOM 0 HE3 MET A 51 1.914 6.266 -8.435 1.00 0.00 H new ATOM 786 N ILE A 52 -1.294 7.318 -2.137 1.00 0.00 N ATOM 787 CA ILE A 52 -1.915 6.890 -0.896 1.00 0.00 C ATOM 788 C ILE A 52 -3.262 7.598 -0.734 1.00 0.00 C ATOM 789 O ILE A 52 -4.261 6.968 -0.391 1.00 0.00 O ATOM 790 CB ILE A 52 -0.962 7.105 0.282 1.00 0.00 C ATOM 791 CG1 ILE A 52 0.069 5.977 0.366 1.00 0.00 C ATOM 792 CG2 ILE A 52 -1.737 7.271 1.591 1.00 0.00 C ATOM 793 CD1 ILE A 52 0.608 5.832 1.790 1.00 0.00 C ATOM 0 H ILE A 52 -0.310 7.574 -2.055 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.118 5.819 -0.921 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.413 8.031 0.113 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -0.386 5.039 0.048 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.892 6.180 -0.319 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -1.036 7.422 2.412 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.399 8.134 1.515 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.329 6.375 1.780 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.339 5.024 1.822 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.084 6.764 2.095 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -0.214 5.605 2.469 1.00 0.00 H new ATOM 805 N ASN A 53 -3.245 8.899 -0.988 1.00 0.00 N ATOM 806 CA ASN A 53 -4.452 9.699 -0.875 1.00 0.00 C ATOM 807 C ASN A 53 -5.575 9.036 -1.676 1.00 0.00 C ATOM 808 O ASN A 53 -6.744 9.124 -1.302 1.00 0.00 O ATOM 809 CB ASN A 53 -4.236 11.105 -1.439 1.00 0.00 C ATOM 810 CG ASN A 53 -4.134 12.137 -0.314 1.00 0.00 C ATOM 811 OD1 ASN A 53 -4.976 12.221 0.564 1.00 0.00 O ATOM 812 ND2 ASN A 53 -3.058 12.915 -0.390 1.00 0.00 N ATOM 0 H ASN A 53 -2.414 9.418 -1.272 1.00 0.00 H new ATOM 0 HA ASN A 53 -4.712 9.770 0.181 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -3.326 11.124 -2.039 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -5.061 11.365 -2.103 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -2.899 13.636 0.314 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -2.392 12.791 -1.152 1.00 0.00 H new ATOM 819 N GLU A 54 -5.181 8.387 -2.762 1.00 0.00 N ATOM 820 CA GLU A 54 -6.140 7.710 -3.618 1.00 0.00 C ATOM 821 C GLU A 54 -6.833 6.582 -2.851 1.00 0.00 C ATOM 822 O GLU A 54 -8.005 6.294 -3.087 1.00 0.00 O ATOM 823 CB GLU A 54 -5.465 7.178 -4.884 1.00 0.00 C ATOM 824 CG GLU A 54 -4.675 8.282 -5.589 1.00 0.00 C ATOM 825 CD GLU A 54 -4.267 7.849 -6.999 1.00 0.00 C ATOM 826 OE1 GLU A 54 -3.445 6.912 -7.089 1.00 0.00 O ATOM 827 OE2 GLU A 54 -4.786 8.466 -7.954 1.00 0.00 O ATOM 0 H GLU A 54 -4.211 8.316 -3.069 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.896 8.432 -3.925 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -4.797 6.356 -4.626 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.219 6.776 -5.561 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -5.278 9.188 -5.643 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -3.786 8.526 -5.008 1.00 0.00 H new ATOM 834 N VAL A 55 -6.078 5.974 -1.947 1.00 0.00 N ATOM 835 CA VAL A 55 -6.605 4.883 -1.144 1.00 0.00 C ATOM 836 C VAL A 55 -6.594 5.291 0.331 1.00 0.00 C ATOM 837 O VAL A 55 -6.397 4.452 1.209 1.00 0.00 O ATOM 838 CB VAL A 55 -5.813 3.603 -1.416 1.00 0.00 C ATOM 839 CG1 VAL A 55 -6.493 2.757 -2.495 1.00 0.00 C ATOM 840 CG2 VAL A 55 -4.367 3.923 -1.800 1.00 0.00 C ATOM 0 H VAL A 55 -5.106 6.216 -1.753 1.00 0.00 H new ATOM 0 HA VAL A 55 -7.639 4.673 -1.416 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.793 3.020 -0.496 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -5.910 1.853 -2.670 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -7.496 2.484 -2.165 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -6.558 3.331 -3.420 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.827 2.995 -1.988 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -4.357 4.537 -2.700 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.886 4.465 -0.986 1.00 0.00 H new ATOM 850 N ASP A 56 -6.807 6.579 0.558 1.00 0.00 N ATOM 851 CA ASP A 56 -6.824 7.108 1.911 1.00 0.00 C ATOM 852 C ASP A 56 -7.663 8.387 1.944 1.00 0.00 C ATOM 853 O ASP A 56 -7.191 9.453 1.553 1.00 0.00 O ATOM 854 CB ASP A 56 -5.412 7.457 2.384 1.00 0.00 C ATOM 855 CG ASP A 56 -5.347 8.384 3.599 1.00 0.00 C ATOM 856 OD1 ASP A 56 -5.699 9.571 3.427 1.00 0.00 O ATOM 857 OD2 ASP A 56 -4.948 7.885 4.673 1.00 0.00 O ATOM 0 H ASP A 56 -6.969 7.272 -0.173 1.00 0.00 H new ATOM 0 HA ASP A 56 -7.245 6.345 2.566 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -4.886 6.532 2.623 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.874 7.925 1.560 1.00 0.00 H new ATOM 862 N ALA A 57 -8.893 8.238 2.414 1.00 0.00 N ATOM 863 CA ALA A 57 -9.802 9.367 2.502 1.00 0.00 C ATOM 864 C ALA A 57 -9.761 9.940 3.921 1.00 0.00 C ATOM 865 O ALA A 57 -10.323 11.002 4.182 1.00 0.00 O ATOM 866 CB ALA A 57 -11.209 8.925 2.093 1.00 0.00 C ATOM 0 H ALA A 57 -9.281 7.352 2.738 1.00 0.00 H new ATOM 0 HA ALA A 57 -9.497 10.158 1.817 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -11.890 9.773 2.159 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -11.190 8.554 1.068 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -11.550 8.133 2.760 1.00 0.00 H new ATOM 872 N ASP A 58 -9.089 9.211 4.799 1.00 0.00 N ATOM 873 CA ASP A 58 -8.966 9.633 6.184 1.00 0.00 C ATOM 874 C ASP A 58 -7.881 10.706 6.292 1.00 0.00 C ATOM 875 O ASP A 58 -8.011 11.649 7.072 1.00 0.00 O ATOM 876 CB ASP A 58 -8.564 8.462 7.083 1.00 0.00 C ATOM 877 CG ASP A 58 -7.132 8.520 7.619 1.00 0.00 C ATOM 878 OD1 ASP A 58 -6.832 9.504 8.330 1.00 0.00 O ATOM 879 OD2 ASP A 58 -6.370 7.580 7.306 1.00 0.00 O ATOM 0 H ASP A 58 -8.624 8.330 4.578 1.00 0.00 H new ATOM 0 HA ASP A 58 -9.933 10.019 6.506 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -9.251 8.420 7.928 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.689 7.535 6.524 1.00 0.00 H new ATOM 884 N GLY A 59 -6.836 10.527 5.498 1.00 0.00 N ATOM 885 CA GLY A 59 -5.729 11.468 5.494 1.00 0.00 C ATOM 886 C GLY A 59 -4.825 11.257 6.711 1.00 0.00 C ATOM 887 O GLY A 59 -4.278 12.214 7.256 1.00 0.00 O ATOM 0 H GLY A 59 -6.732 9.744 4.853 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -5.148 11.347 4.580 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -6.114 12.488 5.495 1.00 0.00 H new ATOM 891 N ASN A 60 -4.697 9.997 7.101 1.00 0.00 N ATOM 892 CA ASN A 60 -3.869 9.648 8.243 1.00 0.00 C ATOM 893 C ASN A 60 -2.401 9.620 7.813 1.00 0.00 C ATOM 894 O ASN A 60 -1.504 9.719 8.649 1.00 0.00 O ATOM 895 CB ASN A 60 -4.231 8.263 8.782 1.00 0.00 C ATOM 896 CG ASN A 60 -3.955 7.179 7.738 1.00 0.00 C ATOM 897 OD1 ASN A 60 -3.569 7.448 6.612 1.00 0.00 O ATOM 898 ND2 ASN A 60 -4.174 5.941 8.173 1.00 0.00 N ATOM 0 H ASN A 60 -5.153 9.206 6.647 1.00 0.00 H new ATOM 0 HA ASN A 60 -4.036 10.393 9.021 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -3.656 8.058 9.685 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.284 8.242 9.064 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -4.019 5.147 7.552 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.497 5.786 9.128 1.00 0.00 H new ATOM 905 N GLY A 61 -2.201 9.483 6.510 1.00 0.00 N ATOM 906 CA GLY A 61 -0.857 9.440 5.960 1.00 0.00 C ATOM 907 C GLY A 61 -0.469 8.012 5.571 1.00 0.00 C ATOM 908 O GLY A 61 0.333 7.809 4.661 1.00 0.00 O ATOM 0 H GLY A 61 -2.947 9.400 5.820 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -0.797 10.088 5.085 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -0.148 9.827 6.692 1.00 0.00 H new ATOM 912 N THR A 62 -1.057 7.060 6.280 1.00 0.00 N ATOM 913 CA THR A 62 -0.783 5.657 6.020 1.00 0.00 C ATOM 914 C THR A 62 -1.992 4.991 5.359 1.00 0.00 C ATOM 915 O THR A 62 -3.056 5.597 5.249 1.00 0.00 O ATOM 916 CB THR A 62 -0.376 5.002 7.342 1.00 0.00 C ATOM 917 OG1 THR A 62 -0.187 3.630 7.006 1.00 0.00 O ATOM 918 CG2 THR A 62 -1.516 4.983 8.362 1.00 0.00 C ATOM 0 H THR A 62 -1.722 7.232 7.034 1.00 0.00 H new ATOM 0 HA THR A 62 0.040 5.539 5.315 1.00 0.00 H new ATOM 0 HB THR A 62 0.478 5.534 7.763 1.00 0.00 H new ATOM 0 HG1 THR A 62 -0.856 3.084 7.470 1.00 0.00 H new ATOM 0 HG21 THR A 62 -1.174 4.508 9.281 1.00 0.00 H new ATOM 0 HG22 THR A 62 -1.829 6.005 8.577 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.358 4.423 7.956 1.00 0.00 H new ATOM 926 N ILE A 63 -1.786 3.752 4.936 1.00 0.00 N ATOM 927 CA ILE A 63 -2.846 2.997 4.289 1.00 0.00 C ATOM 928 C ILE A 63 -3.220 1.798 5.164 1.00 0.00 C ATOM 929 O ILE A 63 -2.361 1.215 5.823 1.00 0.00 O ATOM 930 CB ILE A 63 -2.439 2.615 2.865 1.00 0.00 C ATOM 931 CG1 ILE A 63 -2.218 3.861 2.005 1.00 0.00 C ATOM 932 CG2 ILE A 63 -3.458 1.661 2.240 1.00 0.00 C ATOM 933 CD1 ILE A 63 -3.436 4.141 1.123 1.00 0.00 C ATOM 0 H ILE A 63 -0.902 3.253 5.029 1.00 0.00 H new ATOM 0 HA ILE A 63 -3.742 3.609 4.187 1.00 0.00 H new ATOM 0 HB ILE A 63 -1.488 2.084 2.913 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -2.024 4.720 2.647 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -1.336 3.724 1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -3.144 1.406 1.228 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -3.522 0.753 2.840 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -4.435 2.143 2.206 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -3.253 5.032 0.522 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -3.613 3.290 0.466 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -4.312 4.302 1.752 1.00 0.00 H new ATOM 945 N ASP A 64 -4.502 1.468 5.142 1.00 0.00 N ATOM 946 CA ASP A 64 -5.001 0.350 5.925 1.00 0.00 C ATOM 947 C ASP A 64 -5.495 -0.748 4.981 1.00 0.00 C ATOM 948 O ASP A 64 -5.267 -0.683 3.774 1.00 0.00 O ATOM 949 CB ASP A 64 -6.174 0.776 6.810 1.00 0.00 C ATOM 950 CG ASP A 64 -5.891 1.966 7.729 1.00 0.00 C ATOM 951 OD1 ASP A 64 -4.893 2.668 7.458 1.00 0.00 O ATOM 952 OD2 ASP A 64 -6.679 2.146 8.683 1.00 0.00 O ATOM 0 H ASP A 64 -5.211 1.955 4.594 1.00 0.00 H new ATOM 0 HA ASP A 64 -4.187 -0.010 6.555 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -7.021 1.023 6.170 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -6.475 -0.074 7.423 1.00 0.00 H new ATOM 957 N PHE A 65 -6.163 -1.731 5.567 1.00 0.00 N ATOM 958 CA PHE A 65 -6.691 -2.842 4.793 1.00 0.00 C ATOM 959 C PHE A 65 -7.968 -2.436 4.053 1.00 0.00 C ATOM 960 O PHE A 65 -8.131 -2.747 2.874 1.00 0.00 O ATOM 961 CB PHE A 65 -7.024 -3.959 5.784 1.00 0.00 C ATOM 962 CG PHE A 65 -7.377 -5.293 5.122 1.00 0.00 C ATOM 963 CD1 PHE A 65 -6.617 -5.766 4.098 1.00 0.00 C ATOM 964 CD2 PHE A 65 -8.450 -6.006 5.559 1.00 0.00 C ATOM 965 CE1 PHE A 65 -6.945 -7.004 3.484 1.00 0.00 C ATOM 966 CE2 PHE A 65 -8.777 -7.243 4.945 1.00 0.00 C ATOM 967 CZ PHE A 65 -8.018 -7.717 3.921 1.00 0.00 C ATOM 0 H PHE A 65 -6.351 -1.781 6.568 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.958 -3.161 4.052 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -6.172 -4.108 6.447 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -7.861 -3.641 6.406 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -5.764 -5.200 3.752 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -9.053 -5.631 6.373 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.342 -7.379 2.670 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.629 -7.808 5.291 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.267 -8.659 3.455 1.00 0.00 H new ATOM 977 N PRO A 66 -8.862 -1.729 4.794 1.00 0.00 N ATOM 978 CA PRO A 66 -10.118 -1.278 4.221 1.00 0.00 C ATOM 979 C PRO A 66 -9.898 -0.086 3.287 1.00 0.00 C ATOM 980 O PRO A 66 -10.791 0.284 2.526 1.00 0.00 O ATOM 981 CB PRO A 66 -10.998 -0.943 5.415 1.00 0.00 C ATOM 982 CG PRO A 66 -10.053 -0.775 6.594 1.00 0.00 C ATOM 983 CD PRO A 66 -8.702 -1.343 6.193 1.00 0.00 C ATOM 0 HA PRO A 66 -10.591 -2.035 3.595 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -11.567 -0.030 5.237 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -11.720 -1.737 5.603 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -9.960 0.277 6.862 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -10.440 -1.294 7.471 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -7.911 -0.603 6.311 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -8.433 -2.199 6.812 1.00 0.00 H new ATOM 991 N GLU A 67 -8.704 0.482 3.377 1.00 0.00 N ATOM 992 CA GLU A 67 -8.356 1.624 2.549 1.00 0.00 C ATOM 993 C GLU A 67 -7.633 1.161 1.282 1.00 0.00 C ATOM 994 O GLU A 67 -7.696 1.827 0.250 1.00 0.00 O ATOM 995 CB GLU A 67 -7.504 2.627 3.330 1.00 0.00 C ATOM 996 CG GLU A 67 -8.001 2.764 4.771 1.00 0.00 C ATOM 997 CD GLU A 67 -8.946 3.959 4.914 1.00 0.00 C ATOM 998 OE1 GLU A 67 -10.145 3.773 4.613 1.00 0.00 O ATOM 999 OE2 GLU A 67 -8.448 5.030 5.321 1.00 0.00 O ATOM 0 H GLU A 67 -7.966 0.173 4.010 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.276 2.129 2.255 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -6.463 2.303 3.330 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -7.536 3.598 2.837 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -8.516 1.851 5.070 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -7.151 2.886 5.443 1.00 0.00 H new ATOM 1006 N PHE A 68 -6.964 0.024 1.403 1.00 0.00 N ATOM 1007 CA PHE A 68 -6.230 -0.535 0.281 1.00 0.00 C ATOM 1008 C PHE A 68 -7.112 -1.487 -0.531 1.00 0.00 C ATOM 1009 O PHE A 68 -7.014 -1.536 -1.756 1.00 0.00 O ATOM 1010 CB PHE A 68 -5.053 -1.320 0.862 1.00 0.00 C ATOM 1011 CG PHE A 68 -4.629 -2.523 0.016 1.00 0.00 C ATOM 1012 CD1 PHE A 68 -5.371 -3.662 0.033 1.00 0.00 C ATOM 1013 CD2 PHE A 68 -3.509 -2.452 -0.753 1.00 0.00 C ATOM 1014 CE1 PHE A 68 -4.977 -4.778 -0.752 1.00 0.00 C ATOM 1015 CE2 PHE A 68 -3.115 -3.568 -1.538 1.00 0.00 C ATOM 1016 CZ PHE A 68 -3.857 -4.707 -1.521 1.00 0.00 C ATOM 0 H PHE A 68 -6.915 -0.525 2.261 1.00 0.00 H new ATOM 0 HA PHE A 68 -5.898 0.264 -0.381 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -4.201 -0.649 0.973 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -5.318 -1.667 1.861 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.260 -3.718 0.643 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -2.920 -1.547 -0.767 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -5.566 -5.683 -0.738 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -2.226 -3.512 -2.148 1.00 0.00 H new ATOM 0 HZ PHE A 68 -3.557 -5.556 -2.118 1.00 0.00 H new ATOM 1026 N LEU A 69 -7.953 -2.218 0.185 1.00 0.00 N ATOM 1027 CA LEU A 69 -8.851 -3.166 -0.453 1.00 0.00 C ATOM 1028 C LEU A 69 -9.387 -2.558 -1.751 1.00 0.00 C ATOM 1029 O LEU A 69 -9.447 -3.233 -2.778 1.00 0.00 O ATOM 1030 CB LEU A 69 -9.948 -3.603 0.520 1.00 0.00 C ATOM 1031 CG LEU A 69 -9.582 -4.743 1.474 1.00 0.00 C ATOM 1032 CD1 LEU A 69 -10.423 -4.680 2.750 1.00 0.00 C ATOM 1033 CD2 LEU A 69 -9.698 -6.100 0.777 1.00 0.00 C ATOM 0 H LEU A 69 -8.032 -2.173 1.201 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.316 -4.076 -0.723 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -10.244 -2.739 1.115 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -10.820 -3.906 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 69 -8.540 -4.621 1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.144 -5.501 3.411 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.246 -3.731 3.256 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.479 -4.764 2.494 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.433 -6.892 1.477 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.722 -6.247 0.434 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.022 -6.129 -0.077 1.00 0.00 H new ATOM 1045 N THR A 70 -9.764 -1.291 -1.662 1.00 0.00 N ATOM 1046 CA THR A 70 -10.294 -0.586 -2.817 1.00 0.00 C ATOM 1047 C THR A 70 -9.346 -0.728 -4.010 1.00 0.00 C ATOM 1048 O THR A 70 -9.770 -1.101 -5.103 1.00 0.00 O ATOM 1049 CB THR A 70 -10.543 0.868 -2.409 1.00 0.00 C ATOM 1050 OG1 THR A 70 -10.895 1.515 -3.629 1.00 0.00 O ATOM 1051 CG2 THR A 70 -9.263 1.579 -1.966 1.00 0.00 C ATOM 0 H THR A 70 -9.713 -0.735 -0.809 1.00 0.00 H new ATOM 0 HA THR A 70 -11.242 -1.015 -3.142 1.00 0.00 H new ATOM 0 HB THR A 70 -11.273 0.898 -1.600 1.00 0.00 H new ATOM 0 HG1 THR A 70 -11.075 2.463 -3.457 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.496 2.607 -1.687 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.836 1.059 -1.109 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.544 1.579 -2.786 1.00 0.00 H new ATOM 1059 N MET A 71 -8.081 -0.424 -3.759 1.00 0.00 N ATOM 1060 CA MET A 71 -7.070 -0.514 -4.799 1.00 0.00 C ATOM 1061 C MET A 71 -7.246 -1.788 -5.627 1.00 0.00 C ATOM 1062 O MET A 71 -7.393 -1.725 -6.846 1.00 0.00 O ATOM 1063 CB MET A 71 -5.679 -0.508 -4.160 1.00 0.00 C ATOM 1064 CG MET A 71 -4.783 0.549 -4.810 1.00 0.00 C ATOM 1065 SD MET A 71 -3.381 -0.236 -5.589 1.00 0.00 S ATOM 1066 CE MET A 71 -2.487 1.207 -6.143 1.00 0.00 C ATOM 0 H MET A 71 -7.733 -0.115 -2.851 1.00 0.00 H new ATOM 0 HA MET A 71 -7.180 0.345 -5.461 1.00 0.00 H new ATOM 0 HB2 MET A 71 -5.766 -0.309 -3.092 1.00 0.00 H new ATOM 0 HB3 MET A 71 -5.222 -1.492 -4.265 1.00 0.00 H new ATOM 0 HG2 MET A 71 -5.351 1.115 -5.549 1.00 0.00 H new ATOM 0 HG3 MET A 71 -4.441 1.260 -4.058 1.00 0.00 H new ATOM 0 HE1 MET A 71 -1.576 0.896 -6.655 1.00 0.00 H new ATOM 0 HE2 MET A 71 -3.111 1.781 -6.828 1.00 0.00 H new ATOM 0 HE3 MET A 71 -2.227 1.826 -5.284 1.00 0.00 H new ATOM 1076 N MET A 72 -7.226 -2.915 -4.930 1.00 0.00 N ATOM 1077 CA MET A 72 -7.381 -4.203 -5.586 1.00 0.00 C ATOM 1078 C MET A 72 -8.663 -4.242 -6.420 1.00 0.00 C ATOM 1079 O MET A 72 -8.666 -4.756 -7.537 1.00 0.00 O ATOM 1080 CB MET A 72 -7.423 -5.311 -4.532 1.00 0.00 C ATOM 1081 CG MET A 72 -6.085 -5.422 -3.800 1.00 0.00 C ATOM 1082 SD MET A 72 -5.231 -6.905 -4.310 1.00 0.00 S ATOM 1083 CE MET A 72 -3.990 -6.196 -5.378 1.00 0.00 C ATOM 0 H MET A 72 -7.105 -2.963 -3.918 1.00 0.00 H new ATOM 0 HA MET A 72 -6.532 -4.355 -6.252 1.00 0.00 H new ATOM 0 HB2 MET A 72 -8.218 -5.106 -3.815 1.00 0.00 H new ATOM 0 HB3 MET A 72 -7.661 -6.262 -5.008 1.00 0.00 H new ATOM 0 HG2 MET A 72 -5.471 -4.547 -4.013 1.00 0.00 H new ATOM 0 HG3 MET A 72 -6.251 -5.440 -2.723 1.00 0.00 H new ATOM 0 HE1 MET A 72 -3.364 -6.990 -5.785 1.00 0.00 H new ATOM 0 HE2 MET A 72 -4.475 -5.661 -6.195 1.00 0.00 H new ATOM 0 HE3 MET A 72 -3.372 -5.503 -4.807 1.00 0.00 H new ATOM 1093 N ALA A 73 -9.723 -3.692 -5.844 1.00 0.00 N ATOM 1094 CA ALA A 73 -11.008 -3.658 -6.520 1.00 0.00 C ATOM 1095 C ALA A 73 -10.811 -3.174 -7.958 1.00 0.00 C ATOM 1096 O ALA A 73 -11.376 -3.743 -8.891 1.00 0.00 O ATOM 1097 CB ALA A 73 -11.975 -2.770 -5.734 1.00 0.00 C ATOM 0 H ALA A 73 -9.717 -3.267 -4.917 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.444 -4.656 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -12.939 -2.744 -6.241 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.104 -3.173 -4.729 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.571 -1.759 -5.671 1.00 0.00 H new ATOM 1103 N ARG A 74 -10.006 -2.130 -8.093 1.00 0.00 N ATOM 1104 CA ARG A 74 -9.727 -1.564 -9.401 1.00 0.00 C ATOM 1105 C ARG A 74 -8.324 -1.962 -9.863 1.00 0.00 C ATOM 1106 O ARG A 74 -7.476 -1.101 -10.098 1.00 0.00 O ATOM 1107 CB ARG A 74 -9.835 -0.038 -9.376 1.00 0.00 C ATOM 1108 CG ARG A 74 -10.828 0.424 -8.307 1.00 0.00 C ATOM 1109 CD ARG A 74 -10.098 0.887 -7.045 1.00 0.00 C ATOM 1110 NE ARG A 74 -9.564 2.253 -7.241 1.00 0.00 N ATOM 1111 CZ ARG A 74 -8.299 2.522 -7.589 1.00 0.00 C ATOM 1112 NH1 ARG A 74 -7.429 1.521 -7.781 1.00 0.00 N ATOM 1113 NH2 ARG A 74 -7.902 3.793 -7.745 1.00 0.00 N ATOM 0 H ARG A 74 -9.538 -1.661 -7.317 1.00 0.00 H new ATOM 0 HA ARG A 74 -10.468 -1.957 -10.097 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -8.855 0.396 -9.179 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -10.153 0.324 -10.354 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -11.437 1.239 -8.699 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -11.508 -0.392 -8.060 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -10.780 0.873 -6.195 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -9.285 0.200 -6.813 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.199 3.039 -7.102 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -7.730 0.554 -7.662 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.466 1.726 -8.046 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -8.563 4.556 -7.599 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.938 3.997 -8.010 1.00 0.00 H new ATOM 1127 N LYS A 75 -8.121 -3.266 -9.980 1.00 0.00 N ATOM 1128 CA LYS A 75 -6.835 -3.788 -10.410 1.00 0.00 C ATOM 1129 C LYS A 75 -6.275 -2.901 -11.524 1.00 0.00 C ATOM 1130 O LYS A 75 -5.493 -1.988 -11.262 1.00 0.00 O ATOM 1131 CB LYS A 75 -6.958 -5.262 -10.801 1.00 0.00 C ATOM 1132 CG LYS A 75 -5.893 -6.107 -10.099 1.00 0.00 C ATOM 1133 CD LYS A 75 -5.064 -6.897 -11.113 1.00 0.00 C ATOM 1134 CE LYS A 75 -5.627 -8.307 -11.301 1.00 0.00 C ATOM 1135 NZ LYS A 75 -5.090 -8.920 -12.537 1.00 0.00 N ATOM 1136 OXT LYS A 75 -6.699 -3.199 -12.743 1.00 0.00 O ATOM 0 H LYS A 75 -8.826 -3.977 -9.784 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.119 -3.759 -9.589 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -7.950 -5.630 -10.539 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.855 -5.365 -11.881 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -5.239 -5.461 -9.514 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -6.371 -6.794 -9.401 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -5.057 -6.374 -12.069 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -4.029 -6.957 -10.775 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -5.370 -8.925 -10.441 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -6.715 -8.267 -11.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -5.483 -9.877 -12.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.356 -8.338 -13.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.053 -8.976 -12.475 1.00 0.00 H new