USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 717 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 90 GLN : amide:sc= -0.854 K(o=-3.5,f=-4.5!) USER MOD Set 1.2: A 111 ASN : amide:sc= -2.68 K(o=-3.5,f=-8.2!) USER MOD Set 2.1: A 33 GLN : amide:sc= -0.0949 K(o=-0.055,f=-0.75) USER MOD Set 2.2: A 81 THR OG1 : rot 123:sc= 0.0402 USER MOD Set 3.1: A 20 MET CE :methyl 162:sc= -0.412 (180deg=-0.888) USER MOD Set 3.2: A 40 LYS NZ :NH3+ -138:sc=-0.00105 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 THR OG1 : rot -59:sc= -1.29 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 SER OG : rot -170:sc= -1.69 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0126 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0.212 X(o=0.21,f=-0.064) USER MOD Single : A 45 ASN : amide:sc= 1.67 K(o=1.7,f=-2.1!) USER MOD Single : A 51 TYR OH : rot 80:sc= -1.37 USER MOD Single : A 52 GLN : amide:sc= -1.72! X(o=-1.7!,f=-1.7) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 146:sc= -2.23 (180deg=-2.7!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot -31:sc= -1.33! USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc= -2.94! C(o=-2.9!,f=-2.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 TYR OH : rot -15:sc= -0.852 USER MOD Single : A 96 GLN : amide:sc= -0.403 X(o=-0.4,f=0) USER MOD Single : A 99 ASN : amide:sc= -6.24! C(o=-6.2!,f=-19!) USER MOD Single : A 103 THR OG1 : rot 180:sc=-0.00387 USER MOD Single : A 106 SER OG : rot 180:sc= 0.0301 USER MOD Single : A 107 SER OG : rot 68:sc= -1.84 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 113 THR OG1 : rot 160:sc= -1.65 USER MOD Single : A 114 THR OG1 : rot -139:sc= -1.76! USER MOD ----------------------------------------------------------------- ATOM 150 N ALA A 14 11.869 11.950 -3.267 1.00 0.00 N ATOM 151 CA ALA A 14 10.846 10.921 -3.194 1.00 0.00 C ATOM 152 C ALA A 14 11.040 9.932 -4.345 1.00 0.00 C ATOM 153 O ALA A 14 11.753 10.223 -5.304 1.00 0.00 O ATOM 154 CB ALA A 14 9.462 11.574 -3.213 1.00 0.00 C ATOM 0 HA ALA A 14 10.930 10.362 -2.262 1.00 0.00 H new ATOM 0 HB1 ALA A 14 8.695 10.802 -3.158 1.00 0.00 H new ATOM 0 HB2 ALA A 14 9.364 12.244 -2.359 1.00 0.00 H new ATOM 0 HB3 ALA A 14 9.340 12.142 -4.135 1.00 0.00 H new ATOM 160 N PRO A 15 10.374 8.754 -4.210 1.00 0.00 N ATOM 161 CA PRO A 15 10.467 7.721 -5.227 1.00 0.00 C ATOM 162 C PRO A 15 9.635 8.088 -6.458 1.00 0.00 C ATOM 163 O PRO A 15 8.480 8.491 -6.334 1.00 0.00 O ATOM 164 CB PRO A 15 9.986 6.451 -4.543 1.00 0.00 C ATOM 165 CG PRO A 15 9.208 6.906 -3.319 1.00 0.00 C ATOM 166 CD PRO A 15 9.520 8.375 -3.088 1.00 0.00 C ATOM 0 HA PRO A 15 11.481 7.594 -5.606 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.356 5.863 -5.210 1.00 0.00 H new ATOM 0 HB3 PRO A 15 10.827 5.818 -4.258 1.00 0.00 H new ATOM 0 HG2 PRO A 15 8.138 6.762 -3.472 1.00 0.00 H new ATOM 0 HG3 PRO A 15 9.488 6.315 -2.447 1.00 0.00 H new ATOM 0 HD2 PRO A 15 8.610 8.974 -3.063 1.00 0.00 H new ATOM 0 HD3 PRO A 15 10.027 8.527 -2.135 1.00 0.00 H new ATOM 174 N ASP A 16 10.256 7.936 -7.619 1.00 0.00 N ATOM 175 CA ASP A 16 9.588 8.247 -8.871 1.00 0.00 C ATOM 176 C ASP A 16 9.153 6.946 -9.548 1.00 0.00 C ATOM 177 O ASP A 16 9.263 6.808 -10.765 1.00 0.00 O ATOM 178 CB ASP A 16 10.527 8.986 -9.827 1.00 0.00 C ATOM 179 CG ASP A 16 10.744 10.466 -9.504 1.00 0.00 C ATOM 180 OD1 ASP A 16 9.763 11.099 -9.058 1.00 0.00 O ATOM 181 OD2 ASP A 16 11.886 10.930 -9.711 1.00 0.00 O ATOM 0 H ASP A 16 11.214 7.602 -7.718 1.00 0.00 H new ATOM 0 HA ASP A 16 8.729 8.880 -8.647 1.00 0.00 H new ATOM 0 HB2 ASP A 16 11.494 8.483 -9.824 1.00 0.00 H new ATOM 0 HB3 ASP A 16 10.129 8.905 -10.838 1.00 0.00 H new ATOM 186 N GLY A 17 8.667 6.024 -8.729 1.00 0.00 N ATOM 187 CA GLY A 17 8.214 4.739 -9.234 1.00 0.00 C ATOM 188 C GLY A 17 7.437 3.972 -8.162 1.00 0.00 C ATOM 189 O GLY A 17 7.843 3.937 -7.002 1.00 0.00 O ATOM 0 H GLY A 17 8.577 6.142 -7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 17 7.581 4.890 -10.109 1.00 0.00 H new ATOM 0 HA3 GLY A 17 9.071 4.149 -9.559 1.00 0.00 H new ATOM 193 N PRO A 18 6.304 3.361 -8.601 1.00 0.00 N ATOM 194 CA PRO A 18 5.466 2.597 -7.693 1.00 0.00 C ATOM 195 C PRO A 18 6.106 1.248 -7.360 1.00 0.00 C ATOM 196 O PRO A 18 7.138 0.890 -7.925 1.00 0.00 O ATOM 197 CB PRO A 18 4.132 2.461 -8.408 1.00 0.00 C ATOM 198 CG PRO A 18 4.414 2.747 -9.874 1.00 0.00 C ATOM 199 CD PRO A 18 5.792 3.381 -9.968 1.00 0.00 C ATOM 0 HA PRO A 18 5.337 3.087 -6.728 1.00 0.00 H new ATOM 0 HB2 PRO A 18 3.719 1.461 -8.278 1.00 0.00 H new ATOM 0 HB3 PRO A 18 3.401 3.163 -8.007 1.00 0.00 H new ATOM 0 HG2 PRO A 18 4.377 1.827 -10.457 1.00 0.00 H new ATOM 0 HG3 PRO A 18 3.657 3.415 -10.285 1.00 0.00 H new ATOM 0 HD2 PRO A 18 6.440 2.821 -10.642 1.00 0.00 H new ATOM 0 HD3 PRO A 18 5.734 4.399 -10.354 1.00 0.00 H new ATOM 207 N PRO A 19 5.449 0.516 -6.420 1.00 0.00 N ATOM 208 CA PRO A 19 5.943 -0.786 -6.005 1.00 0.00 C ATOM 209 C PRO A 19 5.663 -1.844 -7.074 1.00 0.00 C ATOM 210 O PRO A 19 4.860 -1.621 -7.979 1.00 0.00 O ATOM 211 CB PRO A 19 5.241 -1.072 -4.688 1.00 0.00 C ATOM 212 CG PRO A 19 4.039 -0.141 -4.646 1.00 0.00 C ATOM 213 CD PRO A 19 4.224 0.908 -5.729 1.00 0.00 C ATOM 0 HA PRO A 19 7.025 -0.804 -5.876 1.00 0.00 H new ATOM 0 HB2 PRO A 19 4.930 -2.115 -4.630 1.00 0.00 H new ATOM 0 HB3 PRO A 19 5.906 -0.890 -3.843 1.00 0.00 H new ATOM 0 HG2 PRO A 19 3.118 -0.700 -4.809 1.00 0.00 H new ATOM 0 HG3 PRO A 19 3.956 0.331 -3.667 1.00 0.00 H new ATOM 0 HD2 PRO A 19 3.374 0.927 -6.411 1.00 0.00 H new ATOM 0 HD3 PRO A 19 4.313 1.907 -5.302 1.00 0.00 H new ATOM 221 N MET A 20 6.341 -2.974 -6.934 1.00 0.00 N ATOM 222 CA MET A 20 6.175 -4.068 -7.876 1.00 0.00 C ATOM 223 C MET A 20 5.664 -5.326 -7.171 1.00 0.00 C ATOM 224 O MET A 20 5.686 -5.406 -5.944 1.00 0.00 O ATOM 225 CB MET A 20 7.515 -4.368 -8.551 1.00 0.00 C ATOM 226 CG MET A 20 8.279 -3.077 -8.851 1.00 0.00 C ATOM 227 SD MET A 20 9.530 -3.382 -10.088 1.00 0.00 S ATOM 228 CE MET A 20 8.501 -3.539 -11.537 1.00 0.00 C ATOM 0 H MET A 20 7.006 -3.155 -6.182 1.00 0.00 H new ATOM 0 HA MET A 20 5.440 -3.771 -8.624 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.116 -5.009 -7.906 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.345 -4.918 -9.477 1.00 0.00 H new ATOM 0 HG2 MET A 20 7.589 -2.309 -9.201 1.00 0.00 H new ATOM 0 HG3 MET A 20 8.742 -2.698 -7.940 1.00 0.00 H new ATOM 0 HE1 MET A 20 9.111 -3.413 -12.432 1.00 0.00 H new ATOM 0 HE2 MET A 20 8.038 -4.526 -11.549 1.00 0.00 H new ATOM 0 HE3 MET A 20 7.725 -2.774 -11.517 1.00 0.00 H new ATOM 238 N ASP A 21 5.218 -6.278 -7.978 1.00 0.00 N ATOM 239 CA ASP A 21 4.703 -7.528 -7.447 1.00 0.00 C ATOM 240 C ASP A 21 3.634 -7.228 -6.394 1.00 0.00 C ATOM 241 O ASP A 21 3.450 -8.000 -5.454 1.00 0.00 O ATOM 242 CB ASP A 21 5.812 -8.340 -6.776 1.00 0.00 C ATOM 243 CG ASP A 21 5.500 -9.826 -6.583 1.00 0.00 C ATOM 244 OD1 ASP A 21 4.619 -10.321 -7.319 1.00 0.00 O ATOM 245 OD2 ASP A 21 6.150 -10.433 -5.705 1.00 0.00 O ATOM 0 H ASP A 21 5.203 -6.208 -8.996 1.00 0.00 H new ATOM 0 HA ASP A 21 4.288 -8.101 -8.276 1.00 0.00 H new ATOM 0 HB2 ASP A 21 6.720 -8.249 -7.373 1.00 0.00 H new ATOM 0 HB3 ASP A 21 6.025 -7.900 -5.802 1.00 0.00 H new ATOM 250 N VAL A 22 2.957 -6.106 -6.587 1.00 0.00 N ATOM 251 CA VAL A 22 1.911 -5.695 -5.666 1.00 0.00 C ATOM 252 C VAL A 22 0.598 -6.377 -6.054 1.00 0.00 C ATOM 253 O VAL A 22 0.100 -6.188 -7.163 1.00 0.00 O ATOM 254 CB VAL A 22 1.807 -4.169 -5.640 1.00 0.00 C ATOM 255 CG1 VAL A 22 3.058 -3.523 -6.239 1.00 0.00 C ATOM 256 CG2 VAL A 22 0.545 -3.693 -6.363 1.00 0.00 C ATOM 0 H VAL A 22 3.112 -5.468 -7.368 1.00 0.00 H new ATOM 0 HA VAL A 22 2.152 -6.009 -4.650 1.00 0.00 H new ATOM 0 HB VAL A 22 1.735 -3.856 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.958 -2.438 -6.208 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.934 -3.823 -5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.175 -3.847 -7.273 1.00 0.00 H new ATOM 0 HG21 VAL A 22 0.495 -2.605 -6.330 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.574 -4.023 -7.401 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -0.334 -4.111 -5.873 1.00 0.00 H new ATOM 266 N THR A 23 0.074 -7.157 -5.120 1.00 0.00 N ATOM 267 CA THR A 23 -1.172 -7.868 -5.351 1.00 0.00 C ATOM 268 C THR A 23 -1.914 -8.086 -4.031 1.00 0.00 C ATOM 269 O THR A 23 -1.332 -7.945 -2.957 1.00 0.00 O ATOM 270 CB THR A 23 -0.844 -9.169 -6.086 1.00 0.00 C ATOM 271 OG1 THR A 23 -2.119 -9.698 -6.441 1.00 0.00 O ATOM 272 CG2 THR A 23 -0.246 -10.230 -5.160 1.00 0.00 C ATOM 0 H THR A 23 0.490 -7.312 -4.202 1.00 0.00 H new ATOM 0 HA THR A 23 -1.850 -7.287 -5.976 1.00 0.00 H new ATOM 0 HB THR A 23 -0.147 -8.961 -6.898 1.00 0.00 H new ATOM 0 HG1 THR A 23 -2.000 -10.542 -6.924 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.032 -11.133 -5.732 1.00 0.00 H new ATOM 0 HG22 THR A 23 0.677 -9.851 -4.721 1.00 0.00 H new ATOM 0 HG23 THR A 23 -0.956 -10.463 -4.367 1.00 0.00 H new ATOM 280 N LEU A 24 -3.188 -8.427 -4.155 1.00 0.00 N ATOM 281 CA LEU A 24 -4.016 -8.666 -2.985 1.00 0.00 C ATOM 282 C LEU A 24 -4.292 -10.165 -2.858 1.00 0.00 C ATOM 283 O LEU A 24 -4.035 -10.928 -3.788 1.00 0.00 O ATOM 284 CB LEU A 24 -5.283 -7.810 -3.041 1.00 0.00 C ATOM 285 CG LEU A 24 -5.069 -6.298 -3.119 1.00 0.00 C ATOM 286 CD1 LEU A 24 -6.405 -5.558 -3.214 1.00 0.00 C ATOM 287 CD2 LEU A 24 -4.222 -5.802 -1.945 1.00 0.00 C ATOM 0 H LEU A 24 -3.667 -8.544 -5.048 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.492 -8.360 -2.079 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -5.868 -8.119 -3.907 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.883 -8.027 -2.157 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.514 -6.079 -4.032 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -6.223 -4.485 -3.268 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.937 -5.882 -4.108 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -7.007 -5.780 -2.333 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -4.085 -4.724 -2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.727 -6.035 -1.008 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -3.249 -6.294 -1.965 1.00 0.00 H new ATOM 299 N GLN A 25 -4.810 -10.543 -1.699 1.00 0.00 N ATOM 300 CA GLN A 25 -5.123 -11.938 -1.438 1.00 0.00 C ATOM 301 C GLN A 25 -5.993 -12.062 -0.185 1.00 0.00 C ATOM 302 O GLN A 25 -5.592 -11.638 0.897 1.00 0.00 O ATOM 303 CB GLN A 25 -3.846 -12.771 -1.304 1.00 0.00 C ATOM 304 CG GLN A 25 -4.097 -14.227 -1.702 1.00 0.00 C ATOM 305 CD GLN A 25 -3.022 -14.723 -2.672 1.00 0.00 C ATOM 306 OE1 GLN A 25 -3.234 -14.838 -3.867 1.00 0.00 O ATOM 307 NE2 GLN A 25 -1.860 -15.008 -2.091 1.00 0.00 N ATOM 0 H GLN A 25 -5.021 -9.907 -0.930 1.00 0.00 H new ATOM 0 HA GLN A 25 -5.685 -12.329 -2.286 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -3.064 -12.348 -1.934 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.486 -12.728 -0.276 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -4.106 -14.855 -0.811 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -5.080 -14.317 -2.165 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.751 -14.889 -1.084 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -1.078 -15.346 -2.653 1.00 0.00 H new ATOM 316 N PRO A 26 -7.198 -12.661 -0.380 1.00 0.00 N ATOM 317 CA PRO A 26 -8.128 -12.846 0.722 1.00 0.00 C ATOM 318 C PRO A 26 -7.672 -13.983 1.639 1.00 0.00 C ATOM 319 O PRO A 26 -7.591 -15.134 1.213 1.00 0.00 O ATOM 320 CB PRO A 26 -9.470 -13.117 0.062 1.00 0.00 C ATOM 321 CG PRO A 26 -9.156 -13.534 -1.366 1.00 0.00 C ATOM 322 CD PRO A 26 -7.706 -13.176 -1.648 1.00 0.00 C ATOM 0 HA PRO A 26 -8.188 -11.974 1.373 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -10.012 -13.903 0.588 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -10.100 -12.228 0.080 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -9.317 -14.604 -1.495 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -9.818 -13.025 -2.067 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -7.140 -14.047 -1.977 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -7.629 -12.429 -2.438 1.00 0.00 H new ATOM 330 N VAL A 27 -7.386 -13.620 2.881 1.00 0.00 N ATOM 331 CA VAL A 27 -6.941 -14.595 3.862 1.00 0.00 C ATOM 332 C VAL A 27 -8.103 -14.941 4.794 1.00 0.00 C ATOM 333 O VAL A 27 -8.249 -16.089 5.210 1.00 0.00 O ATOM 334 CB VAL A 27 -5.714 -14.064 4.606 1.00 0.00 C ATOM 335 CG1 VAL A 27 -4.441 -14.273 3.784 1.00 0.00 C ATOM 336 CG2 VAL A 27 -5.892 -12.591 4.977 1.00 0.00 C ATOM 0 H VAL A 27 -7.454 -12.664 3.230 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.633 -15.518 3.372 1.00 0.00 H new ATOM 0 HB VAL A 27 -5.612 -14.632 5.531 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -3.584 -13.887 4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -4.301 -15.337 3.595 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -4.530 -13.744 2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -5.006 -12.239 5.505 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.033 -12.002 4.071 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -6.765 -12.481 5.620 1.00 0.00 H new ATOM 346 N THR A 28 -8.900 -13.926 5.096 1.00 0.00 N ATOM 347 CA THR A 28 -10.045 -14.109 5.972 1.00 0.00 C ATOM 348 C THR A 28 -11.325 -13.632 5.283 1.00 0.00 C ATOM 349 O THR A 28 -11.423 -13.663 4.057 1.00 0.00 O ATOM 350 CB THR A 28 -9.755 -13.381 7.286 1.00 0.00 C ATOM 351 OG1 THR A 28 -9.904 -12.002 6.960 1.00 0.00 O ATOM 352 CG2 THR A 28 -8.292 -13.507 7.715 1.00 0.00 C ATOM 0 H THR A 28 -8.775 -12.975 4.750 1.00 0.00 H new ATOM 0 HA THR A 28 -10.207 -15.163 6.196 1.00 0.00 H new ATOM 0 HB THR A 28 -10.399 -13.779 8.071 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.275 -11.765 6.247 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.141 -12.973 8.653 1.00 0.00 H new ATOM 0 HG22 THR A 28 -8.042 -14.559 7.852 1.00 0.00 H new ATOM 0 HG23 THR A 28 -7.649 -13.079 6.946 1.00 0.00 H new ATOM 360 N SER A 29 -12.274 -13.203 6.101 1.00 0.00 N ATOM 361 CA SER A 29 -13.545 -12.720 5.586 1.00 0.00 C ATOM 362 C SER A 29 -13.679 -11.219 5.849 1.00 0.00 C ATOM 363 O SER A 29 -14.579 -10.571 5.317 1.00 0.00 O ATOM 364 CB SER A 29 -14.717 -13.477 6.215 1.00 0.00 C ATOM 365 OG SER A 29 -14.656 -14.875 5.946 1.00 0.00 O ATOM 0 H SER A 29 -12.189 -13.179 7.117 1.00 0.00 H new ATOM 0 HA SER A 29 -13.569 -12.897 4.511 1.00 0.00 H new ATOM 0 HB2 SER A 29 -14.716 -13.315 7.293 1.00 0.00 H new ATOM 0 HB3 SER A 29 -15.655 -13.075 5.833 1.00 0.00 H new ATOM 0 HG SER A 29 -15.420 -15.323 6.366 1.00 0.00 H new ATOM 371 N GLN A 30 -12.772 -10.710 6.668 1.00 0.00 N ATOM 372 CA GLN A 30 -12.778 -9.298 7.008 1.00 0.00 C ATOM 373 C GLN A 30 -11.362 -8.725 6.923 1.00 0.00 C ATOM 374 O GLN A 30 -11.032 -7.768 7.622 1.00 0.00 O ATOM 375 CB GLN A 30 -13.379 -9.070 8.396 1.00 0.00 C ATOM 376 CG GLN A 30 -14.897 -9.259 8.374 1.00 0.00 C ATOM 377 CD GLN A 30 -15.454 -9.386 9.793 1.00 0.00 C ATOM 378 OE1 GLN A 30 -15.974 -10.414 10.194 1.00 0.00 O ATOM 379 NE2 GLN A 30 -15.318 -8.286 10.528 1.00 0.00 N ATOM 0 H GLN A 30 -12.027 -11.251 7.107 1.00 0.00 H new ATOM 0 HA GLN A 30 -13.405 -8.774 6.287 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -12.933 -9.764 9.108 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -13.139 -8.064 8.739 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -15.365 -8.413 7.870 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -15.148 -10.151 7.800 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -14.873 -7.459 10.131 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -15.659 -8.269 11.489 1.00 0.00 H new ATOM 388 N SER A 31 -10.562 -9.335 6.061 1.00 0.00 N ATOM 389 CA SER A 31 -9.188 -8.898 5.875 1.00 0.00 C ATOM 390 C SER A 31 -8.658 -9.396 4.529 1.00 0.00 C ATOM 391 O SER A 31 -9.269 -10.257 3.898 1.00 0.00 O ATOM 392 CB SER A 31 -8.294 -9.392 7.014 1.00 0.00 C ATOM 393 OG SER A 31 -7.031 -9.850 6.541 1.00 0.00 O ATOM 0 H SER A 31 -10.839 -10.129 5.483 1.00 0.00 H new ATOM 0 HA SER A 31 -9.172 -7.808 5.883 1.00 0.00 H new ATOM 0 HB2 SER A 31 -8.142 -8.585 7.731 1.00 0.00 H new ATOM 0 HB3 SER A 31 -8.797 -10.200 7.545 1.00 0.00 H new ATOM 0 HG SER A 31 -6.553 -10.300 7.268 1.00 0.00 H new ATOM 399 N ILE A 32 -7.526 -8.833 4.131 1.00 0.00 N ATOM 400 CA ILE A 32 -6.907 -9.209 2.872 1.00 0.00 C ATOM 401 C ILE A 32 -5.397 -8.976 2.961 1.00 0.00 C ATOM 402 O ILE A 32 -4.951 -8.000 3.562 1.00 0.00 O ATOM 403 CB ILE A 32 -7.574 -8.477 1.706 1.00 0.00 C ATOM 404 CG1 ILE A 32 -9.053 -8.854 1.596 1.00 0.00 C ATOM 405 CG2 ILE A 32 -6.820 -8.726 0.398 1.00 0.00 C ATOM 406 CD1 ILE A 32 -9.705 -8.169 0.393 1.00 0.00 C ATOM 0 H ILE A 32 -7.022 -8.120 4.658 1.00 0.00 H new ATOM 0 HA ILE A 32 -7.056 -10.271 2.678 1.00 0.00 H new ATOM 0 HB ILE A 32 -7.528 -7.406 1.904 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -9.150 -9.935 1.500 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -9.574 -8.567 2.509 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -7.315 -8.194 -0.414 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -5.795 -8.367 0.495 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -6.812 -9.794 0.181 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -10.756 -8.454 0.338 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -9.627 -7.087 0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -9.197 -8.477 -0.521 1.00 0.00 H new ATOM 418 N GLN A 33 -4.653 -9.889 2.355 1.00 0.00 N ATOM 419 CA GLN A 33 -3.203 -9.795 2.359 1.00 0.00 C ATOM 420 C GLN A 33 -2.720 -8.984 1.155 1.00 0.00 C ATOM 421 O GLN A 33 -3.314 -9.049 0.080 1.00 0.00 O ATOM 422 CB GLN A 33 -2.563 -11.185 2.375 1.00 0.00 C ATOM 423 CG GLN A 33 -1.048 -11.090 2.563 1.00 0.00 C ATOM 424 CD GLN A 33 -0.630 -11.628 3.933 1.00 0.00 C ATOM 425 OE1 GLN A 33 -1.352 -11.533 4.912 1.00 0.00 O ATOM 426 NE2 GLN A 33 0.572 -12.197 3.947 1.00 0.00 N ATOM 0 H GLN A 33 -5.027 -10.697 1.858 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.895 -9.278 3.268 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.996 -11.779 3.180 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.785 -11.702 1.442 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.545 -11.654 1.778 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.730 -10.052 2.464 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.124 -12.243 3.091 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.941 -12.587 4.814 1.00 0.00 H new ATOM 435 N VAL A 34 -1.647 -8.238 1.376 1.00 0.00 N ATOM 436 CA VAL A 34 -1.078 -7.415 0.323 1.00 0.00 C ATOM 437 C VAL A 34 0.440 -7.597 0.303 1.00 0.00 C ATOM 438 O VAL A 34 1.128 -7.208 1.246 1.00 0.00 O ATOM 439 CB VAL A 34 -1.503 -5.957 0.511 1.00 0.00 C ATOM 440 CG1 VAL A 34 -1.086 -5.105 -0.690 1.00 0.00 C ATOM 441 CG2 VAL A 34 -3.009 -5.853 0.761 1.00 0.00 C ATOM 0 H VAL A 34 -1.157 -8.187 2.269 1.00 0.00 H new ATOM 0 HA VAL A 34 -1.455 -7.727 -0.651 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.990 -5.569 1.391 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.400 -4.073 -0.531 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.002 -5.141 -0.803 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.558 -5.493 -1.593 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.285 -4.807 0.891 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.549 -6.267 -0.091 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -3.268 -6.411 1.661 1.00 0.00 H new ATOM 451 N THR A 35 0.919 -8.190 -0.781 1.00 0.00 N ATOM 452 CA THR A 35 2.344 -8.428 -0.936 1.00 0.00 C ATOM 453 C THR A 35 2.885 -7.666 -2.147 1.00 0.00 C ATOM 454 O THR A 35 2.273 -7.675 -3.214 1.00 0.00 O ATOM 455 CB THR A 35 2.564 -9.940 -1.022 1.00 0.00 C ATOM 456 OG1 THR A 35 1.401 -10.422 -1.689 1.00 0.00 O ATOM 457 CG2 THR A 35 2.515 -10.618 0.349 1.00 0.00 C ATOM 0 H THR A 35 0.345 -8.513 -1.560 1.00 0.00 H new ATOM 0 HA THR A 35 2.903 -8.051 -0.079 1.00 0.00 H new ATOM 0 HB THR A 35 3.527 -10.141 -1.492 1.00 0.00 H new ATOM 0 HG1 THR A 35 1.461 -11.395 -1.789 1.00 0.00 H new ATOM 0 HG21 THR A 35 2.677 -11.689 0.231 1.00 0.00 H new ATOM 0 HG22 THR A 35 3.293 -10.202 0.989 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.540 -10.446 0.805 1.00 0.00 H new ATOM 465 N TRP A 36 4.025 -7.023 -1.941 1.00 0.00 N ATOM 466 CA TRP A 36 4.654 -6.256 -3.003 1.00 0.00 C ATOM 467 C TRP A 36 6.169 -6.322 -2.799 1.00 0.00 C ATOM 468 O TRP A 36 6.639 -6.673 -1.718 1.00 0.00 O ATOM 469 CB TRP A 36 4.117 -4.824 -3.037 1.00 0.00 C ATOM 470 CG TRP A 36 4.463 -4.000 -1.795 1.00 0.00 C ATOM 471 CD1 TRP A 36 5.611 -3.367 -1.518 1.00 0.00 C ATOM 472 CD2 TRP A 36 3.600 -3.743 -0.667 1.00 0.00 C ATOM 473 NE1 TRP A 36 5.552 -2.724 -0.298 1.00 0.00 N ATOM 474 CE2 TRP A 36 4.291 -2.960 0.236 1.00 0.00 C ATOM 475 CE3 TRP A 36 2.281 -4.159 -0.417 1.00 0.00 C ATOM 476 CZ2 TRP A 36 3.744 -2.525 1.449 1.00 0.00 C ATOM 477 CZ3 TRP A 36 1.748 -3.716 0.800 1.00 0.00 C ATOM 478 CH2 TRP A 36 2.430 -2.927 1.719 1.00 0.00 C ATOM 0 H TRP A 36 4.529 -7.017 -1.054 1.00 0.00 H new ATOM 0 HA TRP A 36 4.415 -6.679 -3.979 1.00 0.00 H new ATOM 0 HB2 TRP A 36 4.514 -4.319 -3.918 1.00 0.00 H new ATOM 0 HB3 TRP A 36 3.033 -4.856 -3.149 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.474 -3.361 -2.168 1.00 0.00 H new ATOM 0 HE1 TRP A 36 6.297 -2.176 0.132 1.00 0.00 H new ATOM 0 HE3 TRP A 36 1.722 -4.772 -1.109 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 4.305 -1.912 2.139 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 0.737 -4.008 1.041 1.00 0.00 H new ATOM 0 HH2 TRP A 36 1.949 -2.625 2.637 1.00 0.00 H new ATOM 489 N LYS A 37 6.891 -5.980 -3.856 1.00 0.00 N ATOM 490 CA LYS A 37 8.343 -5.995 -3.807 1.00 0.00 C ATOM 491 C LYS A 37 8.872 -4.574 -4.010 1.00 0.00 C ATOM 492 O LYS A 37 8.171 -3.719 -4.549 1.00 0.00 O ATOM 493 CB LYS A 37 8.902 -7.008 -4.808 1.00 0.00 C ATOM 494 CG LYS A 37 8.954 -8.411 -4.198 1.00 0.00 C ATOM 495 CD LYS A 37 9.767 -9.362 -5.079 1.00 0.00 C ATOM 496 CE LYS A 37 10.915 -9.994 -4.289 1.00 0.00 C ATOM 497 NZ LYS A 37 12.206 -9.377 -4.668 1.00 0.00 N ATOM 0 H LYS A 37 6.497 -5.691 -4.751 1.00 0.00 H new ATOM 0 HA LYS A 37 8.687 -6.326 -2.827 1.00 0.00 H new ATOM 0 HB2 LYS A 37 8.281 -7.020 -5.704 1.00 0.00 H new ATOM 0 HB3 LYS A 37 9.902 -6.705 -5.117 1.00 0.00 H new ATOM 0 HG2 LYS A 37 9.397 -8.363 -3.203 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.942 -8.797 -4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 37 9.117 -10.144 -5.472 1.00 0.00 H new ATOM 0 HD3 LYS A 37 10.166 -8.819 -5.935 1.00 0.00 H new ATOM 0 HE2 LYS A 37 10.743 -9.865 -3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 37 10.948 -11.067 -4.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 12.974 -9.817 -4.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 12.375 -9.522 -5.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 12.177 -8.358 -4.464 1.00 0.00 H new ATOM 511 N ALA A 38 10.103 -4.366 -3.567 1.00 0.00 N ATOM 512 CA ALA A 38 10.734 -3.063 -3.694 1.00 0.00 C ATOM 513 C ALA A 38 10.486 -2.516 -5.101 1.00 0.00 C ATOM 514 O ALA A 38 10.431 -3.276 -6.066 1.00 0.00 O ATOM 515 CB ALA A 38 12.224 -3.183 -3.369 1.00 0.00 C ATOM 0 H ALA A 38 10.681 -5.078 -3.120 1.00 0.00 H new ATOM 0 HA ALA A 38 10.302 -2.357 -2.985 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.697 -2.206 -3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 38 12.346 -3.547 -2.349 1.00 0.00 H new ATOM 0 HB3 ALA A 38 12.692 -3.882 -4.062 1.00 0.00 H new ATOM 521 N PRO A 39 10.338 -1.166 -5.175 1.00 0.00 N ATOM 522 CA PRO A 39 10.097 -0.508 -6.448 1.00 0.00 C ATOM 523 C PRO A 39 11.376 -0.449 -7.285 1.00 0.00 C ATOM 524 O PRO A 39 12.466 -0.711 -6.780 1.00 0.00 O ATOM 525 CB PRO A 39 9.561 0.867 -6.085 1.00 0.00 C ATOM 526 CG PRO A 39 9.957 1.100 -4.636 1.00 0.00 C ATOM 527 CD PRO A 39 10.397 -0.234 -4.053 1.00 0.00 C ATOM 0 HA PRO A 39 9.384 -1.047 -7.072 1.00 0.00 H new ATOM 0 HB2 PRO A 39 9.984 1.634 -6.734 1.00 0.00 H new ATOM 0 HB3 PRO A 39 8.478 0.908 -6.205 1.00 0.00 H new ATOM 0 HG2 PRO A 39 10.765 1.829 -4.573 1.00 0.00 H new ATOM 0 HG3 PRO A 39 9.117 1.505 -4.071 1.00 0.00 H new ATOM 0 HD2 PRO A 39 11.404 -0.173 -3.641 1.00 0.00 H new ATOM 0 HD3 PRO A 39 9.740 -0.548 -3.242 1.00 0.00 H new ATOM 535 N LYS A 40 11.201 -0.102 -8.552 1.00 0.00 N ATOM 536 CA LYS A 40 12.327 -0.005 -9.464 1.00 0.00 C ATOM 537 C LYS A 40 13.535 0.564 -8.718 1.00 0.00 C ATOM 538 O LYS A 40 13.379 1.355 -7.788 1.00 0.00 O ATOM 539 CB LYS A 40 11.941 0.796 -10.710 1.00 0.00 C ATOM 540 CG LYS A 40 11.682 -0.131 -11.899 1.00 0.00 C ATOM 541 CD LYS A 40 10.182 -0.276 -12.165 1.00 0.00 C ATOM 542 CE LYS A 40 9.900 -0.379 -13.665 1.00 0.00 C ATOM 543 NZ LYS A 40 10.289 -1.713 -14.176 1.00 0.00 N ATOM 0 H LYS A 40 10.295 0.115 -8.968 1.00 0.00 H new ATOM 0 HA LYS A 40 12.611 -0.994 -9.824 1.00 0.00 H new ATOM 0 HB2 LYS A 40 11.049 1.388 -10.504 1.00 0.00 H new ATOM 0 HB3 LYS A 40 12.738 1.497 -10.958 1.00 0.00 H new ATOM 0 HG2 LYS A 40 12.176 0.264 -12.787 1.00 0.00 H new ATOM 0 HG3 LYS A 40 12.116 -1.111 -11.702 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.803 -1.163 -11.658 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.651 0.580 -11.749 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.841 -0.205 -13.855 1.00 0.00 H new ATOM 0 HE3 LYS A 40 10.451 0.396 -14.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.768 -1.607 -15.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.934 -2.169 -13.499 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.439 -2.301 -14.295 1.00 0.00 H new ATOM 557 N LYS A 41 14.713 0.140 -9.152 1.00 0.00 N ATOM 558 CA LYS A 41 15.947 0.598 -8.536 1.00 0.00 C ATOM 559 C LYS A 41 16.257 2.016 -9.018 1.00 0.00 C ATOM 560 O LYS A 41 16.627 2.879 -8.223 1.00 0.00 O ATOM 561 CB LYS A 41 17.077 -0.400 -8.795 1.00 0.00 C ATOM 562 CG LYS A 41 18.424 0.167 -8.342 1.00 0.00 C ATOM 563 CD LYS A 41 18.921 -0.541 -7.080 1.00 0.00 C ATOM 564 CE LYS A 41 20.304 -0.028 -6.672 1.00 0.00 C ATOM 565 NZ LYS A 41 20.186 1.255 -5.944 1.00 0.00 N ATOM 0 H LYS A 41 14.839 -0.516 -9.923 1.00 0.00 H new ATOM 0 HA LYS A 41 15.837 0.646 -7.453 1.00 0.00 H new ATOM 0 HB2 LYS A 41 16.874 -1.331 -8.265 1.00 0.00 H new ATOM 0 HB3 LYS A 41 17.118 -0.640 -9.857 1.00 0.00 H new ATOM 0 HG2 LYS A 41 19.158 0.053 -9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 41 18.327 1.235 -8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 41 18.214 -0.379 -6.266 1.00 0.00 H new ATOM 0 HD3 LYS A 41 18.965 -1.616 -7.255 1.00 0.00 H new ATOM 0 HE2 LYS A 41 20.801 -0.766 -6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 41 20.925 0.105 -7.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 21.133 1.589 -5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 19.731 1.961 -6.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 19.611 1.117 -5.088 1.00 0.00 H new ATOM 579 N GLU A 42 16.093 2.214 -10.318 1.00 0.00 N ATOM 580 CA GLU A 42 16.351 3.514 -10.915 1.00 0.00 C ATOM 581 C GLU A 42 15.222 4.488 -10.574 1.00 0.00 C ATOM 582 O GLU A 42 15.267 5.656 -10.959 1.00 0.00 O ATOM 583 CB GLU A 42 16.534 3.395 -12.429 1.00 0.00 C ATOM 584 CG GLU A 42 15.242 2.929 -13.103 1.00 0.00 C ATOM 585 CD GLU A 42 15.486 2.572 -14.571 1.00 0.00 C ATOM 586 OE1 GLU A 42 15.606 3.523 -15.373 1.00 0.00 O ATOM 587 OE2 GLU A 42 15.547 1.357 -14.856 1.00 0.00 O ATOM 0 H GLU A 42 15.785 1.497 -10.974 1.00 0.00 H new ATOM 0 HA GLU A 42 17.280 3.905 -10.500 1.00 0.00 H new ATOM 0 HB2 GLU A 42 16.835 4.359 -12.839 1.00 0.00 H new ATOM 0 HB3 GLU A 42 17.337 2.691 -12.648 1.00 0.00 H new ATOM 0 HG2 GLU A 42 14.845 2.062 -12.575 1.00 0.00 H new ATOM 0 HG3 GLU A 42 14.489 3.715 -13.037 1.00 0.00 H new ATOM 594 N LEU A 43 14.235 3.972 -9.856 1.00 0.00 N ATOM 595 CA LEU A 43 13.095 4.782 -9.459 1.00 0.00 C ATOM 596 C LEU A 43 13.034 4.855 -7.932 1.00 0.00 C ATOM 597 O LEU A 43 12.104 5.432 -7.371 1.00 0.00 O ATOM 598 CB LEU A 43 11.812 4.252 -10.101 1.00 0.00 C ATOM 599 CG LEU A 43 11.714 4.396 -11.622 1.00 0.00 C ATOM 600 CD1 LEU A 43 10.332 3.972 -12.124 1.00 0.00 C ATOM 601 CD2 LEU A 43 12.074 5.816 -12.063 1.00 0.00 C ATOM 0 H LEU A 43 14.201 3.003 -9.539 1.00 0.00 H new ATOM 0 HA LEU A 43 13.208 5.803 -9.823 1.00 0.00 H new ATOM 0 HB2 LEU A 43 11.712 3.196 -9.849 1.00 0.00 H new ATOM 0 HB3 LEU A 43 10.964 4.769 -9.652 1.00 0.00 H new ATOM 0 HG LEU A 43 12.442 3.724 -12.077 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.288 4.084 -13.207 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.153 2.930 -11.859 1.00 0.00 H new ATOM 0 HD13 LEU A 43 9.569 4.600 -11.664 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.996 5.891 -13.148 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.388 6.526 -11.600 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.094 6.045 -11.756 1.00 0.00 H new ATOM 613 N GLN A 44 14.038 4.261 -7.303 1.00 0.00 N ATOM 614 CA GLN A 44 14.110 4.252 -5.851 1.00 0.00 C ATOM 615 C GLN A 44 14.423 5.654 -5.326 1.00 0.00 C ATOM 616 O GLN A 44 13.870 6.079 -4.312 1.00 0.00 O ATOM 617 CB GLN A 44 15.146 3.239 -5.361 1.00 0.00 C ATOM 618 CG GLN A 44 14.466 1.996 -4.782 1.00 0.00 C ATOM 619 CD GLN A 44 15.448 0.826 -4.691 1.00 0.00 C ATOM 620 OE1 GLN A 44 16.540 0.939 -4.158 1.00 0.00 O ATOM 621 NE2 GLN A 44 15.001 -0.300 -5.239 1.00 0.00 N ATOM 0 H GLN A 44 14.808 3.783 -7.772 1.00 0.00 H new ATOM 0 HA GLN A 44 13.139 3.948 -5.460 1.00 0.00 H new ATOM 0 HB2 GLN A 44 15.797 2.951 -6.187 1.00 0.00 H new ATOM 0 HB3 GLN A 44 15.779 3.699 -4.602 1.00 0.00 H new ATOM 0 HG2 GLN A 44 14.071 2.221 -3.792 1.00 0.00 H new ATOM 0 HG3 GLN A 44 13.618 1.716 -5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 44 14.076 -0.326 -5.669 1.00 0.00 H new ATOM 0 HE22 GLN A 44 15.583 -1.138 -5.229 1.00 0.00 H new ATOM 630 N ASN A 45 15.307 6.335 -6.040 1.00 0.00 N ATOM 631 CA ASN A 45 15.700 7.681 -5.659 1.00 0.00 C ATOM 632 C ASN A 45 16.103 7.691 -4.182 1.00 0.00 C ATOM 633 O ASN A 45 15.828 8.653 -3.467 1.00 0.00 O ATOM 634 CB ASN A 45 14.543 8.665 -5.840 1.00 0.00 C ATOM 635 CG ASN A 45 14.475 9.172 -7.281 1.00 0.00 C ATOM 636 OD1 ASN A 45 15.408 9.043 -8.057 1.00 0.00 O ATOM 637 ND2 ASN A 45 13.322 9.756 -7.596 1.00 0.00 N ATOM 0 H ASN A 45 15.762 5.980 -6.881 1.00 0.00 H new ATOM 0 HA ASN A 45 16.532 7.982 -6.295 1.00 0.00 H new ATOM 0 HB2 ASN A 45 13.603 8.179 -5.577 1.00 0.00 H new ATOM 0 HB3 ASN A 45 14.668 9.508 -5.160 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.179 10.128 -8.535 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.581 9.831 -6.899 1.00 0.00 H new ATOM 644 N GLY A 46 16.748 6.609 -3.770 1.00 0.00 N ATOM 645 CA GLY A 46 17.191 6.482 -2.393 1.00 0.00 C ATOM 646 C GLY A 46 16.605 5.227 -1.742 1.00 0.00 C ATOM 647 O GLY A 46 16.152 4.317 -2.436 1.00 0.00 O ATOM 0 H GLY A 46 16.974 5.813 -4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 46 18.280 6.439 -2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 46 16.890 7.364 -1.828 1.00 0.00 H new ATOM 651 N VAL A 47 16.632 5.218 -0.418 1.00 0.00 N ATOM 652 CA VAL A 47 16.110 4.089 0.334 1.00 0.00 C ATOM 653 C VAL A 47 14.625 4.320 0.625 1.00 0.00 C ATOM 654 O VAL A 47 14.099 5.401 0.366 1.00 0.00 O ATOM 655 CB VAL A 47 16.941 3.874 1.600 1.00 0.00 C ATOM 656 CG1 VAL A 47 16.621 4.936 2.653 1.00 0.00 C ATOM 657 CG2 VAL A 47 16.731 2.466 2.161 1.00 0.00 C ATOM 0 H VAL A 47 17.007 5.975 0.154 1.00 0.00 H new ATOM 0 HA VAL A 47 16.189 3.172 -0.249 1.00 0.00 H new ATOM 0 HB VAL A 47 17.993 3.975 1.331 1.00 0.00 H new ATOM 0 HG11 VAL A 47 17.225 4.760 3.543 1.00 0.00 H new ATOM 0 HG12 VAL A 47 16.845 5.925 2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 47 15.564 4.881 2.915 1.00 0.00 H new ATOM 0 HG21 VAL A 47 17.333 2.339 3.061 1.00 0.00 H new ATOM 0 HG22 VAL A 47 15.678 2.325 2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 47 17.032 1.729 1.416 1.00 0.00 H new ATOM 667 N ILE A 48 13.993 3.286 1.160 1.00 0.00 N ATOM 668 CA ILE A 48 12.579 3.362 1.489 1.00 0.00 C ATOM 669 C ILE A 48 12.402 3.189 2.999 1.00 0.00 C ATOM 670 O ILE A 48 12.995 2.293 3.598 1.00 0.00 O ATOM 671 CB ILE A 48 11.780 2.357 0.656 1.00 0.00 C ATOM 672 CG1 ILE A 48 12.421 2.152 -0.718 1.00 0.00 C ATOM 673 CG2 ILE A 48 10.314 2.778 0.548 1.00 0.00 C ATOM 674 CD1 ILE A 48 12.420 3.453 -1.523 1.00 0.00 C ATOM 0 H ILE A 48 14.433 2.391 1.374 1.00 0.00 H new ATOM 0 HA ILE A 48 12.179 4.343 1.231 1.00 0.00 H new ATOM 0 HB ILE A 48 11.801 1.395 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 48 13.444 1.796 -0.597 1.00 0.00 H new ATOM 0 HG13 ILE A 48 11.878 1.381 -1.265 1.00 0.00 H new ATOM 0 HG21 ILE A 48 9.769 2.047 -0.049 1.00 0.00 H new ATOM 0 HG22 ILE A 48 9.876 2.832 1.545 1.00 0.00 H new ATOM 0 HG23 ILE A 48 10.250 3.756 0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 48 12.881 3.280 -2.495 1.00 0.00 H new ATOM 0 HD12 ILE A 48 11.394 3.793 -1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 48 12.984 4.214 -0.985 1.00 0.00 H new ATOM 686 N ARG A 49 11.583 4.059 3.570 1.00 0.00 N ATOM 687 CA ARG A 49 11.319 4.014 4.998 1.00 0.00 C ATOM 688 C ARG A 49 10.031 3.237 5.276 1.00 0.00 C ATOM 689 O ARG A 49 9.881 2.638 6.340 1.00 0.00 O ATOM 690 CB ARG A 49 11.192 5.423 5.579 1.00 0.00 C ATOM 691 CG ARG A 49 12.444 6.252 5.288 1.00 0.00 C ATOM 692 CD ARG A 49 13.076 6.766 6.583 1.00 0.00 C ATOM 693 NE ARG A 49 12.082 7.541 7.358 1.00 0.00 N ATOM 694 CZ ARG A 49 12.173 7.774 8.675 1.00 0.00 C ATOM 695 NH1 ARG A 49 13.212 7.293 9.371 1.00 0.00 N ATOM 696 NH2 ARG A 49 11.224 8.488 9.296 1.00 0.00 N ATOM 0 H ARG A 49 11.093 4.800 3.069 1.00 0.00 H new ATOM 0 HA ARG A 49 12.160 3.511 5.475 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.318 5.917 5.155 1.00 0.00 H new ATOM 0 HB3 ARG A 49 11.034 5.363 6.656 1.00 0.00 H new ATOM 0 HG2 ARG A 49 13.167 5.646 4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 49 12.185 7.094 4.646 1.00 0.00 H new ATOM 0 HD2 ARG A 49 13.440 5.928 7.178 1.00 0.00 H new ATOM 0 HD3 ARG A 49 13.938 7.392 6.353 1.00 0.00 H new ATOM 0 HE ARG A 49 11.278 7.922 6.859 1.00 0.00 H new ATOM 0 HH11 ARG A 49 13.934 6.749 8.899 1.00 0.00 H new ATOM 0 HH12 ARG A 49 13.281 7.471 10.373 1.00 0.00 H new ATOM 0 HH21 ARG A 49 10.433 8.854 8.767 1.00 0.00 H new ATOM 0 HH22 ARG A 49 11.293 8.665 10.298 1.00 0.00 H new ATOM 710 N GLY A 50 9.135 3.271 4.300 1.00 0.00 N ATOM 711 CA GLY A 50 7.865 2.577 4.427 1.00 0.00 C ATOM 712 C GLY A 50 7.002 2.781 3.180 1.00 0.00 C ATOM 713 O GLY A 50 7.360 3.554 2.292 1.00 0.00 O ATOM 0 H GLY A 50 9.264 3.768 3.419 1.00 0.00 H new ATOM 0 HA2 GLY A 50 8.042 1.513 4.581 1.00 0.00 H new ATOM 0 HA3 GLY A 50 7.333 2.942 5.306 1.00 0.00 H new ATOM 717 N TYR A 51 5.882 2.074 3.152 1.00 0.00 N ATOM 718 CA TYR A 51 4.965 2.168 2.029 1.00 0.00 C ATOM 719 C TYR A 51 3.536 2.434 2.507 1.00 0.00 C ATOM 720 O TYR A 51 3.168 2.050 3.616 1.00 0.00 O ATOM 721 CB TYR A 51 5.012 0.807 1.332 1.00 0.00 C ATOM 722 CG TYR A 51 6.358 0.488 0.678 1.00 0.00 C ATOM 723 CD1 TYR A 51 7.493 0.379 1.455 1.00 0.00 C ATOM 724 CD2 TYR A 51 6.436 0.309 -0.688 1.00 0.00 C ATOM 725 CE1 TYR A 51 8.760 0.079 0.839 1.00 0.00 C ATOM 726 CE2 TYR A 51 7.703 0.009 -1.303 1.00 0.00 C ATOM 727 CZ TYR A 51 8.803 -0.091 -0.509 1.00 0.00 C ATOM 728 OH TYR A 51 9.999 -0.375 -1.090 1.00 0.00 O ATOM 0 H TYR A 51 5.589 1.433 3.889 1.00 0.00 H new ATOM 0 HA TYR A 51 5.250 2.987 1.368 1.00 0.00 H new ATOM 0 HB2 TYR A 51 4.780 0.029 2.060 1.00 0.00 H new ATOM 0 HB3 TYR A 51 4.233 0.773 0.571 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.431 0.519 2.524 1.00 0.00 H new ATOM 0 HD2 TYR A 51 5.547 0.394 -1.296 1.00 0.00 H new ATOM 0 HE1 TYR A 51 9.656 -0.009 1.435 1.00 0.00 H new ATOM 0 HE2 TYR A 51 7.778 -0.133 -2.371 1.00 0.00 H new ATOM 0 HH TYR A 51 10.199 -1.328 -0.978 1.00 0.00 H new ATOM 738 N GLN A 52 2.771 3.090 1.647 1.00 0.00 N ATOM 739 CA GLN A 52 1.391 3.412 1.968 1.00 0.00 C ATOM 740 C GLN A 52 0.438 2.523 1.167 1.00 0.00 C ATOM 741 O GLN A 52 0.559 2.419 -0.053 1.00 0.00 O ATOM 742 CB GLN A 52 1.101 4.893 1.717 1.00 0.00 C ATOM 743 CG GLN A 52 1.440 5.735 2.949 1.00 0.00 C ATOM 744 CD GLN A 52 1.173 7.219 2.689 1.00 0.00 C ATOM 745 OE1 GLN A 52 1.487 7.759 1.642 1.00 0.00 O ATOM 746 NE2 GLN A 52 0.576 7.846 3.699 1.00 0.00 N ATOM 0 H GLN A 52 3.081 3.407 0.728 1.00 0.00 H new ATOM 0 HA GLN A 52 1.231 3.219 3.029 1.00 0.00 H new ATOM 0 HB2 GLN A 52 1.682 5.241 0.863 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.049 5.023 1.461 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.846 5.398 3.799 1.00 0.00 H new ATOM 0 HG3 GLN A 52 2.487 5.591 3.215 1.00 0.00 H new ATOM 0 HE21 GLN A 52 0.340 7.334 4.549 1.00 0.00 H new ATOM 0 HE22 GLN A 52 0.354 8.839 3.623 1.00 0.00 H new ATOM 755 N ILE A 53 -0.488 1.904 1.884 1.00 0.00 N ATOM 756 CA ILE A 53 -1.461 1.028 1.255 1.00 0.00 C ATOM 757 C ILE A 53 -2.845 1.674 1.328 1.00 0.00 C ATOM 758 O ILE A 53 -3.487 1.660 2.377 1.00 0.00 O ATOM 759 CB ILE A 53 -1.402 -0.370 1.874 1.00 0.00 C ATOM 760 CG1 ILE A 53 0.005 -0.962 1.758 1.00 0.00 C ATOM 761 CG2 ILE A 53 -2.462 -1.287 1.260 1.00 0.00 C ATOM 762 CD1 ILE A 53 0.896 -0.486 2.906 1.00 0.00 C ATOM 0 H ILE A 53 -0.585 1.992 2.896 1.00 0.00 H new ATOM 0 HA ILE A 53 -1.226 0.895 0.199 1.00 0.00 H new ATOM 0 HB ILE A 53 -1.628 -0.283 2.937 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.053 -2.050 1.765 1.00 0.00 H new ATOM 0 HG13 ILE A 53 0.448 -0.672 0.805 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -2.398 -2.274 1.718 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -3.452 -0.868 1.437 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -2.291 -1.373 0.187 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.890 -0.921 2.800 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.971 0.601 2.881 1.00 0.00 H new ATOM 0 HD13 ILE A 53 0.463 -0.798 3.856 1.00 0.00 H new ATOM 774 N GLY A 54 -3.266 2.226 0.199 1.00 0.00 N ATOM 775 CA GLY A 54 -4.563 2.876 0.121 1.00 0.00 C ATOM 776 C GLY A 54 -5.630 1.911 -0.401 1.00 0.00 C ATOM 777 O GLY A 54 -5.642 1.575 -1.584 1.00 0.00 O ATOM 0 H GLY A 54 -2.731 2.236 -0.669 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -4.850 3.242 1.107 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -4.500 3.744 -0.536 1.00 0.00 H new ATOM 781 N TYR A 55 -6.499 1.494 0.508 1.00 0.00 N ATOM 782 CA TYR A 55 -7.568 0.575 0.154 1.00 0.00 C ATOM 783 C TYR A 55 -8.935 1.155 0.523 1.00 0.00 C ATOM 784 O TYR A 55 -9.077 1.813 1.552 1.00 0.00 O ATOM 785 CB TYR A 55 -7.325 -0.691 0.978 1.00 0.00 C ATOM 786 CG TYR A 55 -7.521 -0.501 2.483 1.00 0.00 C ATOM 787 CD1 TYR A 55 -6.528 0.087 3.240 1.00 0.00 C ATOM 788 CD2 TYR A 55 -8.692 -0.917 3.084 1.00 0.00 C ATOM 789 CE1 TYR A 55 -6.713 0.266 4.657 1.00 0.00 C ATOM 790 CE2 TYR A 55 -8.877 -0.738 4.501 1.00 0.00 C ATOM 791 CZ TYR A 55 -7.879 -0.155 5.217 1.00 0.00 C ATOM 792 OH TYR A 55 -8.053 0.014 6.556 1.00 0.00 O ATOM 0 H TYR A 55 -6.485 1.775 1.488 1.00 0.00 H new ATOM 0 HA TYR A 55 -7.569 0.382 -0.919 1.00 0.00 H new ATOM 0 HB2 TYR A 55 -7.999 -1.474 0.630 1.00 0.00 H new ATOM 0 HB3 TYR A 55 -6.309 -1.041 0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 55 -5.612 0.413 2.770 1.00 0.00 H new ATOM 0 HD2 TYR A 55 -9.469 -1.377 2.492 1.00 0.00 H new ATOM 0 HE1 TYR A 55 -5.944 0.724 5.261 1.00 0.00 H new ATOM 0 HE2 TYR A 55 -9.788 -1.060 4.984 1.00 0.00 H new ATOM 0 HH TYR A 55 -8.932 -0.332 6.818 1.00 0.00 H new ATOM 802 N ARG A 56 -9.906 0.889 -0.338 1.00 0.00 N ATOM 803 CA ARG A 56 -11.257 1.377 -0.116 1.00 0.00 C ATOM 804 C ARG A 56 -12.265 0.510 -0.873 1.00 0.00 C ATOM 805 O ARG A 56 -11.988 0.053 -1.981 1.00 0.00 O ATOM 806 CB ARG A 56 -11.400 2.830 -0.571 1.00 0.00 C ATOM 807 CG ARG A 56 -10.815 3.026 -1.971 1.00 0.00 C ATOM 808 CD ARG A 56 -11.310 4.332 -2.595 1.00 0.00 C ATOM 809 NE ARG A 56 -12.366 4.049 -3.592 1.00 0.00 N ATOM 810 CZ ARG A 56 -13.296 4.935 -3.974 1.00 0.00 C ATOM 811 NH1 ARG A 56 -13.306 6.166 -3.446 1.00 0.00 N ATOM 812 NH2 ARG A 56 -14.216 4.590 -4.885 1.00 0.00 N ATOM 0 H ARG A 56 -9.785 0.342 -1.190 1.00 0.00 H new ATOM 0 HA ARG A 56 -11.458 1.323 0.954 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -12.453 3.113 -0.570 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.892 3.487 0.135 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -9.726 3.035 -1.916 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -11.095 2.186 -2.607 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -11.699 4.991 -1.819 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -10.480 4.855 -3.071 1.00 0.00 H new ATOM 0 HE ARG A 56 -12.387 3.121 -4.015 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -12.606 6.429 -2.753 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -14.014 6.840 -3.737 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -14.209 3.653 -5.288 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -14.924 5.264 -5.176 1.00 0.00 H new ATOM 826 N GLU A 57 -13.415 0.310 -0.245 1.00 0.00 N ATOM 827 CA GLU A 57 -14.466 -0.493 -0.846 1.00 0.00 C ATOM 828 C GLU A 57 -14.764 -0.002 -2.264 1.00 0.00 C ATOM 829 O GLU A 57 -14.670 1.192 -2.544 1.00 0.00 O ATOM 830 CB GLU A 57 -15.729 -0.477 0.016 1.00 0.00 C ATOM 831 CG GLU A 57 -16.450 -1.825 -0.043 1.00 0.00 C ATOM 832 CD GLU A 57 -17.969 -1.636 -0.021 1.00 0.00 C ATOM 833 OE1 GLU A 57 -18.415 -0.707 0.686 1.00 0.00 O ATOM 834 OE2 GLU A 57 -18.649 -2.426 -0.711 1.00 0.00 O ATOM 0 H GLU A 57 -13.642 0.690 0.674 1.00 0.00 H new ATOM 0 HA GLU A 57 -14.119 -1.525 -0.905 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -15.466 -0.246 1.048 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -16.398 0.312 -0.327 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -16.159 -2.358 -0.948 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -16.144 -2.442 0.802 1.00 0.00 H new ATOM 936 N TYR A 66 -9.625 6.551 -0.134 1.00 0.00 N ATOM 937 CA TYR A 66 -8.684 5.447 -0.041 1.00 0.00 C ATOM 938 C TYR A 66 -8.033 5.397 1.343 1.00 0.00 C ATOM 939 O TYR A 66 -7.206 6.244 1.675 1.00 0.00 O ATOM 940 CB TYR A 66 -7.605 5.724 -1.089 1.00 0.00 C ATOM 941 CG TYR A 66 -7.930 5.170 -2.478 1.00 0.00 C ATOM 942 CD1 TYR A 66 -7.699 3.840 -2.762 1.00 0.00 C ATOM 943 CD2 TYR A 66 -8.455 6.002 -3.447 1.00 0.00 C ATOM 944 CE1 TYR A 66 -8.005 3.319 -4.069 1.00 0.00 C ATOM 945 CE2 TYR A 66 -8.761 5.481 -4.754 1.00 0.00 C ATOM 946 CZ TYR A 66 -8.521 4.165 -5.001 1.00 0.00 C ATOM 947 OH TYR A 66 -8.810 3.673 -6.235 1.00 0.00 O ATOM 0 HA TYR A 66 -9.191 4.496 -0.204 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.454 6.801 -1.165 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.663 5.294 -0.749 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -7.289 3.189 -2.004 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -8.636 7.043 -3.225 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -7.829 2.280 -4.304 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -9.172 6.121 -5.521 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.173 4.390 -6.796 1.00 0.00 H new ATOM 957 N SER A 67 -8.432 4.395 2.113 1.00 0.00 N ATOM 958 CA SER A 67 -7.897 4.224 3.453 1.00 0.00 C ATOM 959 C SER A 67 -6.390 3.969 3.387 1.00 0.00 C ATOM 960 O SER A 67 -5.956 2.899 2.964 1.00 0.00 O ATOM 961 CB SER A 67 -8.598 3.075 4.183 1.00 0.00 C ATOM 962 OG SER A 67 -10.000 3.297 4.305 1.00 0.00 O ATOM 0 H SER A 67 -9.119 3.694 1.835 1.00 0.00 H new ATOM 0 HA SER A 67 -8.079 5.141 4.013 1.00 0.00 H new ATOM 0 HB2 SER A 67 -8.424 2.143 3.644 1.00 0.00 H new ATOM 0 HB3 SER A 67 -8.162 2.956 5.175 1.00 0.00 H new ATOM 0 HG SER A 67 -10.411 2.541 4.775 1.00 0.00 H new ATOM 968 N ILE A 68 -5.634 4.971 3.812 1.00 0.00 N ATOM 969 CA ILE A 68 -4.185 4.869 3.806 1.00 0.00 C ATOM 970 C ILE A 68 -3.719 4.201 5.101 1.00 0.00 C ATOM 971 O ILE A 68 -4.309 4.412 6.160 1.00 0.00 O ATOM 972 CB ILE A 68 -3.552 6.241 3.560 1.00 0.00 C ATOM 973 CG1 ILE A 68 -3.902 6.764 2.166 1.00 0.00 C ATOM 974 CG2 ILE A 68 -2.041 6.197 3.794 1.00 0.00 C ATOM 975 CD1 ILE A 68 -3.339 5.846 1.079 1.00 0.00 C ATOM 0 H ILE A 68 -5.998 5.857 4.163 1.00 0.00 H new ATOM 0 HA ILE A 68 -3.852 4.237 2.983 1.00 0.00 H new ATOM 0 HB ILE A 68 -3.969 6.944 4.281 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -4.985 6.836 2.062 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -3.502 7.770 2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.616 7.184 3.613 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -1.841 5.899 4.823 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -1.588 5.476 3.113 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -3.602 6.240 0.097 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -2.254 5.796 1.171 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -3.759 4.847 1.193 1.00 0.00 H new ATOM 987 N VAL A 69 -2.666 3.407 4.975 1.00 0.00 N ATOM 988 CA VAL A 69 -2.115 2.706 6.122 1.00 0.00 C ATOM 989 C VAL A 69 -0.587 2.746 6.053 1.00 0.00 C ATOM 990 O VAL A 69 0.014 2.147 5.162 1.00 0.00 O ATOM 991 CB VAL A 69 -2.673 1.283 6.184 1.00 0.00 C ATOM 992 CG1 VAL A 69 -4.023 1.255 6.904 1.00 0.00 C ATOM 993 CG2 VAL A 69 -2.786 0.677 4.783 1.00 0.00 C ATOM 0 H VAL A 69 -2.180 3.234 4.095 1.00 0.00 H new ATOM 0 HA VAL A 69 -2.412 3.198 7.048 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.975 0.673 6.757 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.398 0.232 6.934 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -3.901 1.627 7.921 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.733 1.886 6.370 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -3.185 -0.335 4.855 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.453 1.288 4.175 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -1.800 0.646 4.319 1.00 0.00 H new ATOM 1003 N GLU A 70 -0.002 3.458 7.005 1.00 0.00 N ATOM 1004 CA GLU A 70 1.445 3.583 7.063 1.00 0.00 C ATOM 1005 C GLU A 70 2.053 2.383 7.791 1.00 0.00 C ATOM 1006 O GLU A 70 1.616 2.029 8.885 1.00 0.00 O ATOM 1007 CB GLU A 70 1.854 4.896 7.734 1.00 0.00 C ATOM 1008 CG GLU A 70 3.210 4.757 8.430 1.00 0.00 C ATOM 1009 CD GLU A 70 3.877 6.122 8.609 1.00 0.00 C ATOM 1010 OE1 GLU A 70 3.142 7.073 8.952 1.00 0.00 O ATOM 1011 OE2 GLU A 70 5.108 6.184 8.398 1.00 0.00 O ATOM 0 H GLU A 70 -0.503 3.954 7.742 1.00 0.00 H new ATOM 0 HA GLU A 70 1.831 3.598 6.044 1.00 0.00 H new ATOM 0 HB2 GLU A 70 1.904 5.690 6.988 1.00 0.00 H new ATOM 0 HB3 GLU A 70 1.096 5.188 8.461 1.00 0.00 H new ATOM 0 HG2 GLU A 70 3.077 4.283 9.403 1.00 0.00 H new ATOM 0 HG3 GLU A 70 3.858 4.105 7.844 1.00 0.00 H new ATOM 1018 N MET A 71 3.052 1.790 7.155 1.00 0.00 N ATOM 1019 CA MET A 71 3.725 0.636 7.728 1.00 0.00 C ATOM 1020 C MET A 71 5.218 0.650 7.393 1.00 0.00 C ATOM 1021 O MET A 71 5.616 1.137 6.336 1.00 0.00 O ATOM 1022 CB MET A 71 3.091 -0.646 7.186 1.00 0.00 C ATOM 1023 CG MET A 71 2.961 -0.592 5.662 1.00 0.00 C ATOM 1024 SD MET A 71 2.913 -2.246 4.994 1.00 0.00 S ATOM 1025 CE MET A 71 4.656 -2.628 4.984 1.00 0.00 C ATOM 0 H MET A 71 3.412 2.087 6.248 1.00 0.00 H new ATOM 0 HA MET A 71 3.615 0.675 8.812 1.00 0.00 H new ATOM 0 HB2 MET A 71 3.698 -1.505 7.473 1.00 0.00 H new ATOM 0 HB3 MET A 71 2.107 -0.787 7.634 1.00 0.00 H new ATOM 0 HG2 MET A 71 2.055 -0.053 5.385 1.00 0.00 H new ATOM 0 HG3 MET A 71 3.801 -0.043 5.236 1.00 0.00 H new ATOM 0 HE1 MET A 71 4.797 -3.689 5.191 1.00 0.00 H new ATOM 0 HE2 MET A 71 5.075 -2.390 4.006 1.00 0.00 H new ATOM 0 HE3 MET A 71 5.162 -2.039 5.749 1.00 0.00 H new ATOM 1035 N LYS A 72 6.003 0.109 8.313 1.00 0.00 N ATOM 1036 CA LYS A 72 7.443 0.053 8.129 1.00 0.00 C ATOM 1037 C LYS A 72 7.776 -0.992 7.062 1.00 0.00 C ATOM 1038 O LYS A 72 7.049 -1.972 6.899 1.00 0.00 O ATOM 1039 CB LYS A 72 8.145 -0.189 9.466 1.00 0.00 C ATOM 1040 CG LYS A 72 8.615 1.129 10.085 1.00 0.00 C ATOM 1041 CD LYS A 72 9.494 0.877 11.312 1.00 0.00 C ATOM 1042 CE LYS A 72 9.049 1.742 12.493 1.00 0.00 C ATOM 1043 NZ LYS A 72 8.374 0.913 13.517 1.00 0.00 N ATOM 0 H LYS A 72 5.669 -0.295 9.188 1.00 0.00 H new ATOM 0 HA LYS A 72 7.818 1.010 7.767 1.00 0.00 H new ATOM 0 HB2 LYS A 72 7.465 -0.695 10.152 1.00 0.00 H new ATOM 0 HB3 LYS A 72 8.999 -0.850 9.318 1.00 0.00 H new ATOM 0 HG2 LYS A 72 9.173 1.703 9.346 1.00 0.00 H new ATOM 0 HG3 LYS A 72 7.751 1.730 10.370 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.444 -0.176 11.589 1.00 0.00 H new ATOM 0 HD3 LYS A 72 10.534 1.094 11.069 1.00 0.00 H new ATOM 0 HE2 LYS A 72 9.913 2.241 12.932 1.00 0.00 H new ATOM 0 HE3 LYS A 72 8.373 2.523 12.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 8.078 1.515 14.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 7.538 0.457 13.099 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 9.031 0.184 13.861 1.00 0.00 H new ATOM 1057 N ALA A 73 8.874 -0.749 6.363 1.00 0.00 N ATOM 1058 CA ALA A 73 9.312 -1.656 5.316 1.00 0.00 C ATOM 1059 C ALA A 73 10.270 -2.690 5.911 1.00 0.00 C ATOM 1060 O ALA A 73 11.400 -2.361 6.268 1.00 0.00 O ATOM 1061 CB ALA A 73 9.951 -0.855 4.179 1.00 0.00 C ATOM 0 H ALA A 73 9.474 0.064 6.501 1.00 0.00 H new ATOM 0 HA ALA A 73 8.463 -2.196 4.897 1.00 0.00 H new ATOM 0 HB1 ALA A 73 10.279 -1.536 3.394 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.221 -0.156 3.771 1.00 0.00 H new ATOM 0 HB3 ALA A 73 10.809 -0.301 4.561 1.00 0.00 H new ATOM 1067 N THR A 74 9.783 -3.919 5.999 1.00 0.00 N ATOM 1068 CA THR A 74 10.582 -5.003 6.545 1.00 0.00 C ATOM 1069 C THR A 74 11.938 -5.075 5.838 1.00 0.00 C ATOM 1070 O THR A 74 12.919 -5.540 6.416 1.00 0.00 O ATOM 1071 CB THR A 74 9.769 -6.294 6.431 1.00 0.00 C ATOM 1072 OG1 THR A 74 9.664 -6.515 5.028 1.00 0.00 O ATOM 1073 CG2 THR A 74 8.320 -6.115 6.890 1.00 0.00 C ATOM 0 H THR A 74 8.845 -4.188 5.701 1.00 0.00 H new ATOM 0 HA THR A 74 10.808 -4.836 7.598 1.00 0.00 H new ATOM 0 HB THR A 74 10.244 -7.076 7.024 1.00 0.00 H new ATOM 0 HG1 THR A 74 9.655 -5.654 4.561 1.00 0.00 H new ATOM 0 HG21 THR A 74 7.787 -7.060 6.789 1.00 0.00 H new ATOM 0 HG22 THR A 74 8.305 -5.800 7.933 1.00 0.00 H new ATOM 0 HG23 THR A 74 7.835 -5.357 6.275 1.00 0.00 H new ATOM 1081 N GLY A 75 11.948 -4.607 4.599 1.00 0.00 N ATOM 1082 CA GLY A 75 13.166 -4.612 3.807 1.00 0.00 C ATOM 1083 C GLY A 75 12.859 -4.381 2.326 1.00 0.00 C ATOM 1084 O GLY A 75 12.057 -3.515 1.982 1.00 0.00 O ATOM 0 H GLY A 75 11.132 -4.222 4.124 1.00 0.00 H new ATOM 0 HA2 GLY A 75 13.841 -3.836 4.167 1.00 0.00 H new ATOM 0 HA3 GLY A 75 13.681 -5.565 3.931 1.00 0.00 H new ATOM 1088 N ASP A 76 13.513 -5.173 1.489 1.00 0.00 N ATOM 1089 CA ASP A 76 13.320 -5.066 0.053 1.00 0.00 C ATOM 1090 C ASP A 76 11.858 -5.366 -0.284 1.00 0.00 C ATOM 1091 O ASP A 76 11.302 -4.789 -1.217 1.00 0.00 O ATOM 1092 CB ASP A 76 14.194 -6.073 -0.697 1.00 0.00 C ATOM 1093 CG ASP A 76 15.675 -5.700 -0.791 1.00 0.00 C ATOM 1094 OD1 ASP A 76 16.010 -4.587 -0.331 1.00 0.00 O ATOM 1095 OD2 ASP A 76 16.439 -6.536 -1.321 1.00 0.00 O ATOM 0 H ASP A 76 14.177 -5.891 1.778 1.00 0.00 H new ATOM 0 HA ASP A 76 13.594 -4.055 -0.250 1.00 0.00 H new ATOM 0 HB2 ASP A 76 14.109 -7.042 -0.205 1.00 0.00 H new ATOM 0 HB3 ASP A 76 13.800 -6.192 -1.706 1.00 0.00 H new ATOM 1100 N SER A 77 11.278 -6.269 0.493 1.00 0.00 N ATOM 1101 CA SER A 77 9.892 -6.652 0.288 1.00 0.00 C ATOM 1102 C SER A 77 9.071 -6.335 1.540 1.00 0.00 C ATOM 1103 O SER A 77 9.595 -6.355 2.652 1.00 0.00 O ATOM 1104 CB SER A 77 9.776 -8.138 -0.059 1.00 0.00 C ATOM 1105 OG SER A 77 10.542 -8.953 0.824 1.00 0.00 O ATOM 0 H SER A 77 11.743 -6.746 1.265 1.00 0.00 H new ATOM 0 HA SER A 77 9.500 -6.078 -0.552 1.00 0.00 H new ATOM 0 HB2 SER A 77 8.730 -8.440 -0.015 1.00 0.00 H new ATOM 0 HB3 SER A 77 10.112 -8.298 -1.084 1.00 0.00 H new ATOM 0 HG SER A 77 10.441 -9.894 0.571 1.00 0.00 H new ATOM 1111 N GLU A 78 7.797 -6.048 1.316 1.00 0.00 N ATOM 1112 CA GLU A 78 6.898 -5.726 2.412 1.00 0.00 C ATOM 1113 C GLU A 78 5.518 -6.340 2.164 1.00 0.00 C ATOM 1114 O GLU A 78 5.190 -6.704 1.036 1.00 0.00 O ATOM 1115 CB GLU A 78 6.798 -4.213 2.612 1.00 0.00 C ATOM 1116 CG GLU A 78 8.181 -3.561 2.572 1.00 0.00 C ATOM 1117 CD GLU A 78 8.726 -3.519 1.142 1.00 0.00 C ATOM 1118 OE1 GLU A 78 7.957 -3.090 0.255 1.00 0.00 O ATOM 1119 OE2 GLU A 78 9.899 -3.916 0.970 1.00 0.00 O ATOM 0 H GLU A 78 7.366 -6.032 0.392 1.00 0.00 H new ATOM 0 HA GLU A 78 7.305 -6.154 3.328 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.166 -3.781 1.836 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.319 -4.000 3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 78 8.122 -2.549 2.972 1.00 0.00 H new ATOM 0 HG3 GLU A 78 8.868 -4.117 3.211 1.00 0.00 H new ATOM 1126 N VAL A 79 4.747 -6.435 3.237 1.00 0.00 N ATOM 1127 CA VAL A 79 3.410 -6.998 3.151 1.00 0.00 C ATOM 1128 C VAL A 79 2.532 -6.385 4.244 1.00 0.00 C ATOM 1129 O VAL A 79 3.025 -6.023 5.311 1.00 0.00 O ATOM 1130 CB VAL A 79 3.480 -8.524 3.225 1.00 0.00 C ATOM 1131 CG1 VAL A 79 4.176 -8.980 4.509 1.00 0.00 C ATOM 1132 CG2 VAL A 79 2.085 -9.143 3.109 1.00 0.00 C ATOM 0 H VAL A 79 5.023 -6.132 4.171 1.00 0.00 H new ATOM 0 HA VAL A 79 2.953 -6.753 2.192 1.00 0.00 H new ATOM 0 HB VAL A 79 4.074 -8.873 2.380 1.00 0.00 H new ATOM 0 HG11 VAL A 79 4.212 -10.069 4.536 1.00 0.00 H new ATOM 0 HG12 VAL A 79 5.191 -8.582 4.534 1.00 0.00 H new ATOM 0 HG13 VAL A 79 3.622 -8.614 5.373 1.00 0.00 H new ATOM 0 HG21 VAL A 79 2.163 -10.229 3.165 1.00 0.00 H new ATOM 0 HG22 VAL A 79 1.458 -8.782 3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.639 -8.860 2.156 1.00 0.00 H new ATOM 1142 N TYR A 80 1.246 -6.287 3.939 1.00 0.00 N ATOM 1143 CA TYR A 80 0.295 -5.725 4.883 1.00 0.00 C ATOM 1144 C TYR A 80 -1.071 -6.403 4.754 1.00 0.00 C ATOM 1145 O TYR A 80 -1.450 -6.842 3.669 1.00 0.00 O ATOM 1146 CB TYR A 80 0.154 -4.248 4.510 1.00 0.00 C ATOM 1147 CG TYR A 80 -0.355 -3.364 5.649 1.00 0.00 C ATOM 1148 CD1 TYR A 80 0.475 -3.056 6.708 1.00 0.00 C ATOM 1149 CD2 TYR A 80 -1.645 -2.874 5.619 1.00 0.00 C ATOM 1150 CE1 TYR A 80 -0.005 -2.224 7.781 1.00 0.00 C ATOM 1151 CE2 TYR A 80 -2.125 -2.042 6.692 1.00 0.00 C ATOM 1152 CZ TYR A 80 -1.281 -1.758 7.720 1.00 0.00 C ATOM 1153 OH TYR A 80 -1.734 -0.972 8.734 1.00 0.00 O ATOM 0 H TYR A 80 0.841 -6.587 3.052 1.00 0.00 H new ATOM 0 HA TYR A 80 0.641 -5.867 5.907 1.00 0.00 H new ATOM 0 HB2 TYR A 80 1.123 -3.874 4.179 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -0.528 -4.161 3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 80 1.485 -3.439 6.732 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.295 -3.115 4.791 1.00 0.00 H new ATOM 0 HE1 TYR A 80 0.634 -1.976 8.615 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.132 -1.652 6.681 1.00 0.00 H new ATOM 0 HH TYR A 80 -2.662 -0.712 8.556 1.00 0.00 H new ATOM 1163 N THR A 81 -1.771 -6.468 5.877 1.00 0.00 N ATOM 1164 CA THR A 81 -3.086 -7.085 5.903 1.00 0.00 C ATOM 1165 C THR A 81 -4.148 -6.061 6.309 1.00 0.00 C ATOM 1166 O THR A 81 -4.226 -5.669 7.473 1.00 0.00 O ATOM 1167 CB THR A 81 -3.022 -8.296 6.837 1.00 0.00 C ATOM 1168 OG1 THR A 81 -2.694 -9.382 5.975 1.00 0.00 O ATOM 1169 CG2 THR A 81 -4.392 -8.671 7.405 1.00 0.00 C ATOM 0 H THR A 81 -1.452 -6.104 6.775 1.00 0.00 H new ATOM 0 HA THR A 81 -3.378 -7.435 4.913 1.00 0.00 H new ATOM 0 HB THR A 81 -2.335 -8.086 7.657 1.00 0.00 H new ATOM 0 HG1 THR A 81 -1.867 -9.807 6.285 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.290 -9.536 8.061 1.00 0.00 H new ATOM 0 HG22 THR A 81 -4.793 -7.831 7.972 1.00 0.00 H new ATOM 0 HG23 THR A 81 -5.071 -8.914 6.587 1.00 0.00 H new ATOM 1177 N LEU A 82 -4.940 -5.656 5.327 1.00 0.00 N ATOM 1178 CA LEU A 82 -5.994 -4.685 5.567 1.00 0.00 C ATOM 1179 C LEU A 82 -7.176 -5.379 6.247 1.00 0.00 C ATOM 1180 O LEU A 82 -7.912 -6.129 5.608 1.00 0.00 O ATOM 1181 CB LEU A 82 -6.367 -3.967 4.268 1.00 0.00 C ATOM 1182 CG LEU A 82 -5.263 -3.124 3.627 1.00 0.00 C ATOM 1183 CD1 LEU A 82 -4.580 -2.234 4.666 1.00 0.00 C ATOM 1184 CD2 LEU A 82 -4.261 -4.009 2.882 1.00 0.00 C ATOM 0 H LEU A 82 -4.873 -5.983 4.363 1.00 0.00 H new ATOM 0 HA LEU A 82 -5.647 -3.906 6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -6.693 -4.714 3.544 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -7.222 -3.320 4.466 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.721 -2.464 2.890 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -3.799 -1.645 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -5.316 -1.565 5.112 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -4.137 -2.856 5.444 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -3.487 -3.385 2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.804 -4.710 3.581 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -4.777 -4.563 2.098 1.00 0.00 H new ATOM 1196 N ASP A 83 -7.320 -5.105 7.535 1.00 0.00 N ATOM 1197 CA ASP A 83 -8.400 -5.694 8.309 1.00 0.00 C ATOM 1198 C ASP A 83 -9.593 -4.736 8.324 1.00 0.00 C ATOM 1199 O ASP A 83 -9.454 -3.561 7.988 1.00 0.00 O ATOM 1200 CB ASP A 83 -7.971 -5.936 9.758 1.00 0.00 C ATOM 1201 CG ASP A 83 -7.012 -4.891 10.332 1.00 0.00 C ATOM 1202 OD1 ASP A 83 -5.802 -5.013 10.045 1.00 0.00 O ATOM 1203 OD2 ASP A 83 -7.512 -3.993 11.044 1.00 0.00 O ATOM 0 H ASP A 83 -6.707 -4.483 8.062 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.665 -6.645 7.847 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.863 -5.971 10.384 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.497 -6.916 9.822 1.00 0.00 H new ATOM 1208 N ASN A 84 -10.738 -5.274 8.716 1.00 0.00 N ATOM 1209 CA ASN A 84 -11.954 -4.481 8.779 1.00 0.00 C ATOM 1210 C ASN A 84 -12.527 -4.321 7.369 1.00 0.00 C ATOM 1211 O ASN A 84 -12.841 -3.210 6.945 1.00 0.00 O ATOM 1212 CB ASN A 84 -11.674 -3.084 9.336 1.00 0.00 C ATOM 1213 CG ASN A 84 -10.695 -3.149 10.510 1.00 0.00 C ATOM 1214 OD1 ASN A 84 -10.975 -3.714 11.555 1.00 0.00 O ATOM 1215 ND2 ASN A 84 -9.535 -2.540 10.282 1.00 0.00 N ATOM 0 H ASN A 84 -10.850 -6.249 8.993 1.00 0.00 H new ATOM 0 HA ASN A 84 -12.657 -4.995 9.434 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -11.263 -2.451 8.550 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -12.607 -2.624 9.661 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -8.815 -2.527 11.005 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.365 -2.086 9.385 1.00 0.00 H new ATOM 1222 N LEU A 85 -12.644 -5.448 6.681 1.00 0.00 N ATOM 1223 CA LEU A 85 -13.173 -5.447 5.328 1.00 0.00 C ATOM 1224 C LEU A 85 -14.522 -6.169 5.312 1.00 0.00 C ATOM 1225 O LEU A 85 -14.850 -6.900 6.245 1.00 0.00 O ATOM 1226 CB LEU A 85 -12.151 -6.033 4.352 1.00 0.00 C ATOM 1227 CG LEU A 85 -10.711 -5.542 4.515 1.00 0.00 C ATOM 1228 CD1 LEU A 85 -9.779 -6.235 3.518 1.00 0.00 C ATOM 1229 CD2 LEU A 85 -10.636 -4.017 4.405 1.00 0.00 C ATOM 0 H LEU A 85 -12.381 -6.368 7.036 1.00 0.00 H new ATOM 0 HA LEU A 85 -13.353 -4.426 4.990 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -12.158 -7.118 4.457 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -12.478 -5.809 3.337 1.00 0.00 H new ATOM 0 HG LEU A 85 -10.370 -5.810 5.515 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -8.762 -5.868 3.655 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.802 -7.312 3.686 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.109 -6.019 2.502 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -9.602 -3.694 4.524 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -11.003 -3.704 3.428 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.249 -3.565 5.185 1.00 0.00 H new ATOM 1241 N LYS A 86 -15.268 -5.938 4.241 1.00 0.00 N ATOM 1242 CA LYS A 86 -16.574 -6.557 4.091 1.00 0.00 C ATOM 1243 C LYS A 86 -16.396 -8.020 3.681 1.00 0.00 C ATOM 1244 O LYS A 86 -15.274 -8.478 3.474 1.00 0.00 O ATOM 1245 CB LYS A 86 -17.443 -5.748 3.125 1.00 0.00 C ATOM 1246 CG LYS A 86 -18.521 -4.967 3.880 1.00 0.00 C ATOM 1247 CD LYS A 86 -17.917 -3.769 4.615 1.00 0.00 C ATOM 1248 CE LYS A 86 -17.972 -2.510 3.748 1.00 0.00 C ATOM 1249 NZ LYS A 86 -19.030 -1.594 4.231 1.00 0.00 N ATOM 0 H LYS A 86 -14.993 -5.331 3.469 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.108 -6.555 5.041 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.818 -5.057 2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -17.912 -6.418 2.404 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -19.283 -4.623 3.180 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -19.018 -5.624 4.594 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -18.458 -3.598 5.546 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -16.883 -3.986 4.883 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.007 -2.004 3.770 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -18.165 -2.784 2.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -19.054 -0.744 3.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -19.951 -2.074 4.188 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -18.829 -1.319 5.214 1.00 0.00 H new ATOM 1263 N LYS A 87 -17.521 -8.712 3.575 1.00 0.00 N ATOM 1264 CA LYS A 87 -17.503 -10.114 3.193 1.00 0.00 C ATOM 1265 C LYS A 87 -17.865 -10.239 1.711 1.00 0.00 C ATOM 1266 O LYS A 87 -18.824 -9.624 1.249 1.00 0.00 O ATOM 1267 CB LYS A 87 -18.407 -10.933 4.117 1.00 0.00 C ATOM 1268 CG LYS A 87 -17.905 -10.879 5.562 1.00 0.00 C ATOM 1269 CD LYS A 87 -19.061 -11.050 6.550 1.00 0.00 C ATOM 1270 CE LYS A 87 -18.543 -11.429 7.939 1.00 0.00 C ATOM 1271 NZ LYS A 87 -19.165 -12.692 8.396 1.00 0.00 N ATOM 0 H LYS A 87 -18.450 -8.328 3.747 1.00 0.00 H new ATOM 0 HA LYS A 87 -16.502 -10.529 3.314 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -19.426 -10.550 4.068 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -18.438 -11.968 3.777 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -17.165 -11.663 5.723 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -17.406 -9.927 5.742 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -19.632 -10.124 6.611 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -19.742 -11.821 6.189 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -17.459 -11.539 7.912 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -18.765 -10.630 8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -18.803 -12.935 9.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -20.197 -12.574 8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -18.932 -13.455 7.729 1.00 0.00 H new ATOM 1285 N PHE A 88 -17.077 -11.039 1.008 1.00 0.00 N ATOM 1286 CA PHE A 88 -17.302 -11.253 -0.411 1.00 0.00 C ATOM 1287 C PHE A 88 -17.586 -9.930 -1.126 1.00 0.00 C ATOM 1288 O PHE A 88 -18.695 -9.708 -1.610 1.00 0.00 O ATOM 1289 CB PHE A 88 -18.527 -12.161 -0.538 1.00 0.00 C ATOM 1290 CG PHE A 88 -18.675 -12.817 -1.912 1.00 0.00 C ATOM 1291 CD1 PHE A 88 -17.592 -13.369 -2.523 1.00 0.00 C ATOM 1292 CD2 PHE A 88 -19.889 -12.850 -2.523 1.00 0.00 C ATOM 1293 CE1 PHE A 88 -17.729 -13.978 -3.798 1.00 0.00 C ATOM 1294 CE2 PHE A 88 -20.026 -13.459 -3.799 1.00 0.00 C ATOM 1295 CZ PHE A 88 -18.943 -14.011 -4.409 1.00 0.00 C ATOM 0 H PHE A 88 -16.282 -11.547 1.395 1.00 0.00 H new ATOM 0 HA PHE A 88 -16.417 -11.698 -0.865 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -18.469 -12.941 0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -19.423 -11.577 -0.327 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -16.627 -13.344 -2.038 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -20.749 -12.413 -2.038 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -16.869 -14.415 -4.283 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -20.990 -13.484 -4.285 1.00 0.00 H new ATOM 0 HZ PHE A 88 -19.047 -14.475 -5.378 1.00 0.00 H new ATOM 1305 N ALA A 89 -16.565 -9.087 -1.171 1.00 0.00 N ATOM 1306 CA ALA A 89 -16.691 -7.793 -1.818 1.00 0.00 C ATOM 1307 C ALA A 89 -15.357 -7.421 -2.470 1.00 0.00 C ATOM 1308 O ALA A 89 -14.297 -7.622 -1.880 1.00 0.00 O ATOM 1309 CB ALA A 89 -17.150 -6.752 -0.795 1.00 0.00 C ATOM 0 H ALA A 89 -15.646 -9.275 -0.770 1.00 0.00 H new ATOM 0 HA ALA A 89 -17.444 -7.830 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -17.244 -5.781 -1.281 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -18.115 -7.047 -0.384 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -16.418 -6.685 0.010 1.00 0.00 H new ATOM 1315 N GLN A 90 -15.454 -6.886 -3.678 1.00 0.00 N ATOM 1316 CA GLN A 90 -14.269 -6.484 -4.416 1.00 0.00 C ATOM 1317 C GLN A 90 -13.692 -5.193 -3.832 1.00 0.00 C ATOM 1318 O GLN A 90 -14.373 -4.170 -3.787 1.00 0.00 O ATOM 1319 CB GLN A 90 -14.579 -6.322 -5.905 1.00 0.00 C ATOM 1320 CG GLN A 90 -13.348 -5.831 -6.671 1.00 0.00 C ATOM 1321 CD GLN A 90 -13.741 -4.815 -7.746 1.00 0.00 C ATOM 1322 OE1 GLN A 90 -14.817 -4.241 -7.730 1.00 0.00 O ATOM 1323 NE2 GLN A 90 -12.810 -4.626 -8.677 1.00 0.00 N ATOM 0 H GLN A 90 -16.335 -6.722 -4.164 1.00 0.00 H new ATOM 0 HA GLN A 90 -13.520 -7.270 -4.318 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -14.912 -7.275 -6.317 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -15.398 -5.615 -6.035 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -12.641 -5.377 -5.977 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -12.841 -6.678 -7.134 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -11.930 -5.140 -8.630 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -12.976 -3.967 -9.438 1.00 0.00 H new ATOM 1332 N TYR A 91 -12.443 -5.283 -3.399 1.00 0.00 N ATOM 1333 CA TYR A 91 -11.767 -4.135 -2.820 1.00 0.00 C ATOM 1334 C TYR A 91 -10.517 -3.772 -3.624 1.00 0.00 C ATOM 1335 O TYR A 91 -9.630 -4.604 -3.810 1.00 0.00 O ATOM 1336 CB TYR A 91 -11.347 -4.559 -1.411 1.00 0.00 C ATOM 1337 CG TYR A 91 -12.389 -4.253 -0.333 1.00 0.00 C ATOM 1338 CD1 TYR A 91 -12.505 -2.974 0.172 1.00 0.00 C ATOM 1339 CD2 TYR A 91 -13.212 -5.257 0.135 1.00 0.00 C ATOM 1340 CE1 TYR A 91 -13.485 -2.687 1.186 1.00 0.00 C ATOM 1341 CE2 TYR A 91 -14.193 -4.970 1.150 1.00 0.00 C ATOM 1342 CZ TYR A 91 -14.281 -3.699 1.625 1.00 0.00 C ATOM 1343 OH TYR A 91 -15.207 -3.427 2.584 1.00 0.00 O ATOM 0 H TYR A 91 -11.882 -6.134 -3.438 1.00 0.00 H new ATOM 0 HA TYR A 91 -12.423 -3.265 -2.817 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -11.142 -5.630 -1.411 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -10.415 -4.056 -1.154 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.860 -2.188 -0.194 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -13.121 -6.258 -0.260 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.586 -1.690 1.589 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -14.843 -5.746 1.525 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.004 -2.562 2.999 1.00 0.00 H new ATOM 1353 N GLY A 92 -10.486 -2.528 -4.079 1.00 0.00 N ATOM 1354 CA GLY A 92 -9.359 -2.044 -4.859 1.00 0.00 C ATOM 1355 C GLY A 92 -8.484 -1.100 -4.031 1.00 0.00 C ATOM 1356 O GLY A 92 -8.978 -0.123 -3.470 1.00 0.00 O ATOM 0 H GLY A 92 -11.223 -1.841 -3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -8.763 -2.888 -5.206 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -9.722 -1.525 -5.746 1.00 0.00 H new ATOM 1360 N VAL A 93 -7.201 -1.425 -3.981 1.00 0.00 N ATOM 1361 CA VAL A 93 -6.253 -0.619 -3.232 1.00 0.00 C ATOM 1362 C VAL A 93 -5.057 -0.284 -4.125 1.00 0.00 C ATOM 1363 O VAL A 93 -4.860 -0.909 -5.166 1.00 0.00 O ATOM 1364 CB VAL A 93 -5.853 -1.343 -1.944 1.00 0.00 C ATOM 1365 CG1 VAL A 93 -7.000 -2.214 -1.427 1.00 0.00 C ATOM 1366 CG2 VAL A 93 -4.585 -2.172 -2.153 1.00 0.00 C ATOM 0 H VAL A 93 -6.796 -2.236 -4.448 1.00 0.00 H new ATOM 0 HA VAL A 93 -6.708 0.324 -2.931 1.00 0.00 H new ATOM 0 HB VAL A 93 -5.638 -0.589 -1.187 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -6.690 -2.718 -0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -7.868 -1.588 -1.221 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -7.260 -2.958 -2.180 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -4.322 -2.676 -1.223 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -4.760 -2.915 -2.931 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -3.767 -1.517 -2.454 1.00 0.00 H new ATOM 1376 N VAL A 94 -4.289 0.703 -3.685 1.00 0.00 N ATOM 1377 CA VAL A 94 -3.117 1.129 -4.432 1.00 0.00 C ATOM 1378 C VAL A 94 -1.916 1.205 -3.488 1.00 0.00 C ATOM 1379 O VAL A 94 -1.950 1.924 -2.490 1.00 0.00 O ATOM 1380 CB VAL A 94 -3.403 2.452 -5.144 1.00 0.00 C ATOM 1381 CG1 VAL A 94 -4.033 2.212 -6.517 1.00 0.00 C ATOM 1382 CG2 VAL A 94 -4.290 3.356 -4.284 1.00 0.00 C ATOM 0 H VAL A 94 -4.455 1.219 -2.821 1.00 0.00 H new ATOM 0 HA VAL A 94 -2.874 0.404 -5.209 1.00 0.00 H new ATOM 0 HB VAL A 94 -2.452 2.962 -5.297 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.226 3.169 -7.001 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.351 1.625 -7.132 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.971 1.670 -6.397 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.479 4.290 -4.813 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.237 2.854 -4.085 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -3.787 3.568 -3.341 1.00 0.00 H new ATOM 1392 N VAL A 95 -0.882 0.453 -3.835 1.00 0.00 N ATOM 1393 CA VAL A 95 0.328 0.426 -3.031 1.00 0.00 C ATOM 1394 C VAL A 95 1.280 1.522 -3.513 1.00 0.00 C ATOM 1395 O VAL A 95 1.327 1.829 -4.703 1.00 0.00 O ATOM 1396 CB VAL A 95 0.953 -0.970 -3.073 1.00 0.00 C ATOM 1397 CG1 VAL A 95 2.159 -1.059 -2.135 1.00 0.00 C ATOM 1398 CG2 VAL A 95 -0.082 -2.045 -2.738 1.00 0.00 C ATOM 0 H VAL A 95 -0.857 -0.143 -4.663 1.00 0.00 H new ATOM 0 HA VAL A 95 0.097 0.633 -1.986 1.00 0.00 H new ATOM 0 HB VAL A 95 1.304 -1.149 -4.089 1.00 0.00 H new ATOM 0 HG11 VAL A 95 2.585 -2.061 -2.184 1.00 0.00 H new ATOM 0 HG12 VAL A 95 2.911 -0.330 -2.439 1.00 0.00 H new ATOM 0 HG13 VAL A 95 1.842 -0.849 -1.114 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.389 -3.027 -2.775 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.478 -1.870 -1.738 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.896 -2.005 -3.462 1.00 0.00 H new ATOM 1408 N GLN A 96 2.014 2.083 -2.564 1.00 0.00 N ATOM 1409 CA GLN A 96 2.962 3.139 -2.877 1.00 0.00 C ATOM 1410 C GLN A 96 4.101 3.150 -1.854 1.00 0.00 C ATOM 1411 O GLN A 96 3.863 3.022 -0.654 1.00 0.00 O ATOM 1412 CB GLN A 96 2.267 4.500 -2.937 1.00 0.00 C ATOM 1413 CG GLN A 96 1.062 4.543 -1.995 1.00 0.00 C ATOM 1414 CD GLN A 96 0.236 5.812 -2.218 1.00 0.00 C ATOM 1415 OE1 GLN A 96 -0.978 5.782 -2.324 1.00 0.00 O ATOM 1416 NE2 GLN A 96 0.962 6.925 -2.282 1.00 0.00 N ATOM 0 H GLN A 96 1.972 1.826 -1.578 1.00 0.00 H new ATOM 0 HA GLN A 96 3.385 2.940 -3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 96 2.973 5.285 -2.666 1.00 0.00 H new ATOM 0 HB3 GLN A 96 1.942 4.702 -3.958 1.00 0.00 H new ATOM 0 HG2 GLN A 96 0.437 3.665 -2.158 1.00 0.00 H new ATOM 0 HG3 GLN A 96 1.403 4.504 -0.960 1.00 0.00 H new ATOM 0 HE21 GLN A 96 1.976 6.879 -2.185 1.00 0.00 H new ATOM 0 HE22 GLN A 96 0.504 7.825 -2.428 1.00 0.00 H new ATOM 1425 N ALA A 97 5.313 3.304 -2.367 1.00 0.00 N ATOM 1426 CA ALA A 97 6.488 3.334 -1.514 1.00 0.00 C ATOM 1427 C ALA A 97 6.821 4.785 -1.162 1.00 0.00 C ATOM 1428 O ALA A 97 6.867 5.646 -2.040 1.00 0.00 O ATOM 1429 CB ALA A 97 7.647 2.624 -2.217 1.00 0.00 C ATOM 0 H ALA A 97 5.506 3.409 -3.363 1.00 0.00 H new ATOM 0 HA ALA A 97 6.298 2.804 -0.581 1.00 0.00 H new ATOM 0 HB1 ALA A 97 8.529 2.646 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 97 7.371 1.589 -2.419 1.00 0.00 H new ATOM 0 HB3 ALA A 97 7.868 3.130 -3.157 1.00 0.00 H new ATOM 1435 N PHE A 98 7.044 5.012 0.124 1.00 0.00 N ATOM 1436 CA PHE A 98 7.371 6.344 0.603 1.00 0.00 C ATOM 1437 C PHE A 98 8.685 6.338 1.387 1.00 0.00 C ATOM 1438 O PHE A 98 8.939 5.426 2.173 1.00 0.00 O ATOM 1439 CB PHE A 98 6.237 6.775 1.536 1.00 0.00 C ATOM 1440 CG PHE A 98 6.336 6.192 2.947 1.00 0.00 C ATOM 1441 CD1 PHE A 98 7.320 6.609 3.788 1.00 0.00 C ATOM 1442 CD2 PHE A 98 5.440 5.256 3.360 1.00 0.00 C ATOM 1443 CE1 PHE A 98 7.412 6.068 5.097 1.00 0.00 C ATOM 1444 CE2 PHE A 98 5.532 4.715 4.669 1.00 0.00 C ATOM 1445 CZ PHE A 98 6.516 5.132 5.510 1.00 0.00 C ATOM 0 H PHE A 98 7.005 4.296 0.849 1.00 0.00 H new ATOM 0 HA PHE A 98 7.485 7.025 -0.241 1.00 0.00 H new ATOM 0 HB2 PHE A 98 6.229 7.863 1.603 1.00 0.00 H new ATOM 0 HB3 PHE A 98 5.285 6.476 1.096 1.00 0.00 H new ATOM 0 HD1 PHE A 98 8.032 7.352 3.460 1.00 0.00 H new ATOM 0 HD2 PHE A 98 4.659 4.924 2.692 1.00 0.00 H new ATOM 0 HE1 PHE A 98 8.193 6.400 5.765 1.00 0.00 H new ATOM 0 HE2 PHE A 98 4.820 3.972 4.997 1.00 0.00 H new ATOM 0 HZ PHE A 98 6.586 4.720 6.506 1.00 0.00 H new ATOM 1455 N ASN A 99 9.486 7.366 1.146 1.00 0.00 N ATOM 1456 CA ASN A 99 10.767 7.490 1.819 1.00 0.00 C ATOM 1457 C ASN A 99 10.814 8.818 2.577 1.00 0.00 C ATOM 1458 O ASN A 99 9.865 9.599 2.527 1.00 0.00 O ATOM 1459 CB ASN A 99 11.921 7.478 0.814 1.00 0.00 C ATOM 1460 CG ASN A 99 11.711 8.532 -0.274 1.00 0.00 C ATOM 1461 OD1 ASN A 99 11.142 9.588 -0.051 1.00 0.00 O ATOM 1462 ND2 ASN A 99 12.199 8.187 -1.462 1.00 0.00 N ATOM 0 H ASN A 99 9.272 8.120 0.494 1.00 0.00 H new ATOM 0 HA ASN A 99 10.873 6.645 2.500 1.00 0.00 H new ATOM 0 HB2 ASN A 99 12.861 7.667 1.332 1.00 0.00 H new ATOM 0 HB3 ASN A 99 12.001 6.491 0.359 1.00 0.00 H new ATOM 0 HD21 ASN A 99 12.108 8.822 -2.255 1.00 0.00 H new ATOM 0 HD22 ASN A 99 12.664 7.287 -1.580 1.00 0.00 H new ATOM 1469 N ARG A 100 11.928 9.034 3.261 1.00 0.00 N ATOM 1470 CA ARG A 100 12.111 10.255 4.028 1.00 0.00 C ATOM 1471 C ARG A 100 11.992 11.478 3.116 1.00 0.00 C ATOM 1472 O ARG A 100 11.613 12.558 3.566 1.00 0.00 O ATOM 1473 CB ARG A 100 13.476 10.273 4.718 1.00 0.00 C ATOM 1474 CG ARG A 100 14.610 10.243 3.691 1.00 0.00 C ATOM 1475 CD ARG A 100 15.391 11.558 3.699 1.00 0.00 C ATOM 1476 NE ARG A 100 16.462 11.504 4.719 1.00 0.00 N ATOM 1477 CZ ARG A 100 17.195 12.561 5.096 1.00 0.00 C ATOM 1478 NH1 ARG A 100 16.977 13.760 4.540 1.00 0.00 N ATOM 1479 NH2 ARG A 100 18.146 12.419 6.029 1.00 0.00 N ATOM 0 H ARG A 100 12.713 8.384 3.300 1.00 0.00 H new ATOM 0 HA ARG A 100 11.332 10.288 4.789 1.00 0.00 H new ATOM 0 HB2 ARG A 100 13.563 11.167 5.336 1.00 0.00 H new ATOM 0 HB3 ARG A 100 13.562 9.415 5.385 1.00 0.00 H new ATOM 0 HG2 ARG A 100 15.283 9.415 3.911 1.00 0.00 H new ATOM 0 HG3 ARG A 100 14.200 10.065 2.697 1.00 0.00 H new ATOM 0 HD2 ARG A 100 15.823 11.740 2.715 1.00 0.00 H new ATOM 0 HD3 ARG A 100 14.718 12.389 3.910 1.00 0.00 H new ATOM 0 HE ARG A 100 16.654 10.606 5.163 1.00 0.00 H new ATOM 0 HH11 ARG A 100 16.253 13.869 3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 100 17.535 14.564 4.827 1.00 0.00 H new ATOM 0 HH21 ARG A 100 18.312 11.506 6.453 1.00 0.00 H new ATOM 0 HH22 ARG A 100 18.704 13.224 6.316 1.00 0.00 H new ATOM 1493 N ALA A 101 12.324 11.267 1.850 1.00 0.00 N ATOM 1494 CA ALA A 101 12.259 12.338 0.871 1.00 0.00 C ATOM 1495 C ALA A 101 10.794 12.657 0.567 1.00 0.00 C ATOM 1496 O ALA A 101 10.477 13.750 0.099 1.00 0.00 O ATOM 1497 CB ALA A 101 13.040 11.934 -0.381 1.00 0.00 C ATOM 0 H ALA A 101 12.639 10.370 1.480 1.00 0.00 H new ATOM 0 HA ALA A 101 12.719 13.245 1.263 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.991 12.738 -1.116 1.00 0.00 H new ATOM 0 HB2 ALA A 101 14.081 11.747 -0.116 1.00 0.00 H new ATOM 0 HB3 ALA A 101 12.605 11.029 -0.805 1.00 0.00 H new ATOM 1503 N GLY A 102 9.939 11.684 0.845 1.00 0.00 N ATOM 1504 CA GLY A 102 8.515 11.847 0.606 1.00 0.00 C ATOM 1505 C GLY A 102 7.899 10.557 0.063 1.00 0.00 C ATOM 1506 O GLY A 102 8.460 9.476 0.234 1.00 0.00 O ATOM 0 H GLY A 102 10.205 10.779 1.234 1.00 0.00 H new ATOM 0 HA2 GLY A 102 8.017 12.130 1.534 1.00 0.00 H new ATOM 0 HA3 GLY A 102 8.352 12.659 -0.103 1.00 0.00 H new ATOM 1510 N THR A 103 6.752 10.713 -0.582 1.00 0.00 N ATOM 1511 CA THR A 103 6.053 9.574 -1.152 1.00 0.00 C ATOM 1512 C THR A 103 6.130 9.611 -2.680 1.00 0.00 C ATOM 1513 O THR A 103 6.270 10.680 -3.272 1.00 0.00 O ATOM 1514 CB THR A 103 4.620 9.581 -0.616 1.00 0.00 C ATOM 1515 OG1 THR A 103 4.776 9.785 0.786 1.00 0.00 O ATOM 1516 CG2 THR A 103 3.948 8.211 -0.721 1.00 0.00 C ATOM 0 H THR A 103 6.289 11.611 -0.722 1.00 0.00 H new ATOM 0 HA THR A 103 6.521 8.635 -0.856 1.00 0.00 H new ATOM 0 HB THR A 103 4.031 10.316 -1.164 1.00 0.00 H new ATOM 0 HG1 THR A 103 3.895 9.805 1.214 1.00 0.00 H new ATOM 0 HG21 THR A 103 2.934 8.272 -0.327 1.00 0.00 H new ATOM 0 HG22 THR A 103 3.913 7.902 -1.766 1.00 0.00 H new ATOM 0 HG23 THR A 103 4.517 7.481 -0.145 1.00 0.00 H new ATOM 1524 N GLY A 104 6.035 8.430 -3.274 1.00 0.00 N ATOM 1525 CA GLY A 104 6.092 8.314 -4.721 1.00 0.00 C ATOM 1526 C GLY A 104 4.716 7.974 -5.299 1.00 0.00 C ATOM 1527 O GLY A 104 3.699 8.140 -4.628 1.00 0.00 O ATOM 0 H GLY A 104 5.919 7.546 -2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 104 6.450 9.250 -5.151 1.00 0.00 H new ATOM 0 HA3 GLY A 104 6.808 7.541 -4.999 1.00 0.00 H new ATOM 1531 N PRO A 105 4.730 7.491 -6.570 1.00 0.00 N ATOM 1532 CA PRO A 105 3.496 7.126 -7.245 1.00 0.00 C ATOM 1533 C PRO A 105 2.951 5.800 -6.711 1.00 0.00 C ATOM 1534 O PRO A 105 3.663 5.058 -6.037 1.00 0.00 O ATOM 1535 CB PRO A 105 3.858 7.068 -8.720 1.00 0.00 C ATOM 1536 CG PRO A 105 5.372 6.945 -8.774 1.00 0.00 C ATOM 1537 CD PRO A 105 5.916 7.281 -7.395 1.00 0.00 C ATOM 0 HA PRO A 105 2.694 7.843 -7.073 1.00 0.00 H new ATOM 0 HB2 PRO A 105 3.380 6.218 -9.206 1.00 0.00 H new ATOM 0 HB3 PRO A 105 3.520 7.964 -9.240 1.00 0.00 H new ATOM 0 HG2 PRO A 105 5.663 5.935 -9.064 1.00 0.00 H new ATOM 0 HG3 PRO A 105 5.784 7.622 -9.522 1.00 0.00 H new ATOM 0 HD2 PRO A 105 6.532 6.471 -7.004 1.00 0.00 H new ATOM 0 HD3 PRO A 105 6.542 8.173 -7.423 1.00 0.00 H new ATOM 1545 N SER A 106 1.691 5.543 -7.031 1.00 0.00 N ATOM 1546 CA SER A 106 1.041 4.320 -6.592 1.00 0.00 C ATOM 1547 C SER A 106 1.045 3.290 -7.723 1.00 0.00 C ATOM 1548 O SER A 106 1.164 3.649 -8.894 1.00 0.00 O ATOM 1549 CB SER A 106 -0.391 4.593 -6.127 1.00 0.00 C ATOM 1550 OG SER A 106 -0.900 5.814 -6.656 1.00 0.00 O ATOM 0 H SER A 106 1.103 6.161 -7.589 1.00 0.00 H new ATOM 0 HA SER A 106 1.599 3.922 -5.745 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.035 3.769 -6.433 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.418 4.631 -5.038 1.00 0.00 H new ATOM 0 HG SER A 106 -1.817 5.952 -6.338 1.00 0.00 H new ATOM 1556 N SER A 107 0.912 2.030 -7.334 1.00 0.00 N ATOM 1557 CA SER A 107 0.899 0.946 -8.301 1.00 0.00 C ATOM 1558 C SER A 107 -0.519 0.741 -8.837 1.00 0.00 C ATOM 1559 O SER A 107 -1.480 1.272 -8.281 1.00 0.00 O ATOM 1560 CB SER A 107 1.425 -0.350 -7.682 1.00 0.00 C ATOM 1561 OG SER A 107 1.015 -0.499 -6.325 1.00 0.00 O ATOM 0 H SER A 107 0.812 1.736 -6.362 1.00 0.00 H new ATOM 0 HA SER A 107 1.557 1.216 -9.127 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.069 -1.200 -8.264 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.514 -0.361 -7.735 1.00 0.00 H new ATOM 0 HG SER A 107 0.046 -0.640 -6.290 1.00 0.00 H new ATOM 1567 N SER A 108 -0.606 -0.031 -9.911 1.00 0.00 N ATOM 1568 CA SER A 108 -1.890 -0.312 -10.528 1.00 0.00 C ATOM 1569 C SER A 108 -2.952 -0.533 -9.449 1.00 0.00 C ATOM 1570 O SER A 108 -2.624 -0.826 -8.301 1.00 0.00 O ATOM 1571 CB SER A 108 -1.804 -1.534 -11.446 1.00 0.00 C ATOM 1572 OG SER A 108 -1.560 -1.167 -12.801 1.00 0.00 O ATOM 0 H SER A 108 0.193 -0.470 -10.369 1.00 0.00 H new ATOM 0 HA SER A 108 -2.173 0.547 -11.136 1.00 0.00 H new ATOM 0 HB2 SER A 108 -1.007 -2.192 -11.100 1.00 0.00 H new ATOM 0 HB3 SER A 108 -2.734 -2.099 -11.385 1.00 0.00 H new ATOM 0 HG SER A 108 -1.510 -1.974 -13.355 1.00 0.00 H new ATOM 1578 N GLU A 109 -4.204 -0.384 -9.857 1.00 0.00 N ATOM 1579 CA GLU A 109 -5.317 -0.563 -8.939 1.00 0.00 C ATOM 1580 C GLU A 109 -5.648 -2.049 -8.791 1.00 0.00 C ATOM 1581 O GLU A 109 -6.537 -2.562 -9.470 1.00 0.00 O ATOM 1582 CB GLU A 109 -6.542 0.228 -9.402 1.00 0.00 C ATOM 1583 CG GLU A 109 -7.711 0.044 -8.432 1.00 0.00 C ATOM 1584 CD GLU A 109 -8.974 0.728 -8.960 1.00 0.00 C ATOM 1585 OE1 GLU A 109 -8.846 1.890 -9.404 1.00 0.00 O ATOM 1586 OE2 GLU A 109 -10.038 0.074 -8.908 1.00 0.00 O ATOM 0 H GLU A 109 -4.472 -0.141 -10.811 1.00 0.00 H new ATOM 0 HA GLU A 109 -5.024 -0.177 -7.963 1.00 0.00 H new ATOM 0 HB2 GLU A 109 -6.290 1.286 -9.477 1.00 0.00 H new ATOM 0 HB3 GLU A 109 -6.836 -0.101 -10.399 1.00 0.00 H new ATOM 0 HG2 GLU A 109 -7.903 -1.019 -8.285 1.00 0.00 H new ATOM 0 HG3 GLU A 109 -7.449 0.458 -7.458 1.00 0.00 H new ATOM 1593 N ILE A 110 -4.915 -2.700 -7.899 1.00 0.00 N ATOM 1594 CA ILE A 110 -5.121 -4.117 -7.653 1.00 0.00 C ATOM 1595 C ILE A 110 -6.474 -4.321 -6.968 1.00 0.00 C ATOM 1596 O ILE A 110 -7.106 -3.359 -6.537 1.00 0.00 O ATOM 1597 CB ILE A 110 -3.942 -4.702 -6.872 1.00 0.00 C ATOM 1598 CG1 ILE A 110 -3.796 -4.022 -5.509 1.00 0.00 C ATOM 1599 CG2 ILE A 110 -2.651 -4.628 -7.691 1.00 0.00 C ATOM 1600 CD1 ILE A 110 -2.588 -4.572 -4.748 1.00 0.00 C ATOM 0 H ILE A 110 -4.178 -2.272 -7.338 1.00 0.00 H new ATOM 0 HA ILE A 110 -5.154 -4.666 -8.594 1.00 0.00 H new ATOM 0 HB ILE A 110 -4.145 -5.757 -6.686 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -3.685 -2.946 -5.645 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -4.701 -4.177 -4.922 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -1.829 -5.050 -7.113 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -2.773 -5.194 -8.615 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -2.430 -3.587 -7.929 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -2.507 -4.072 -3.783 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -2.713 -5.643 -4.592 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -1.681 -4.393 -5.326 1.00 0.00 H new ATOM 1612 N ASN A 111 -6.877 -5.581 -6.889 1.00 0.00 N ATOM 1613 CA ASN A 111 -8.143 -5.923 -6.264 1.00 0.00 C ATOM 1614 C ASN A 111 -8.066 -7.349 -5.714 1.00 0.00 C ATOM 1615 O ASN A 111 -7.084 -8.053 -5.940 1.00 0.00 O ATOM 1616 CB ASN A 111 -9.290 -5.868 -7.276 1.00 0.00 C ATOM 1617 CG ASN A 111 -9.893 -4.463 -7.345 1.00 0.00 C ATOM 1618 OD1 ASN A 111 -10.892 -4.157 -6.716 1.00 0.00 O ATOM 1619 ND2 ASN A 111 -9.231 -3.630 -8.142 1.00 0.00 N ATOM 0 H ASN A 111 -6.349 -6.377 -7.247 1.00 0.00 H new ATOM 0 HA ASN A 111 -8.331 -5.204 -5.467 1.00 0.00 H new ATOM 0 HB2 ASN A 111 -8.925 -6.160 -8.261 1.00 0.00 H new ATOM 0 HB3 ASN A 111 -10.061 -6.585 -6.996 1.00 0.00 H new ATOM 0 HD21 ASN A 111 -9.553 -2.669 -8.256 1.00 0.00 H new ATOM 0 HD22 ASN A 111 -8.401 -3.952 -8.640 1.00 0.00 H new ATOM 1626 N ALA A 112 -9.116 -7.731 -5.001 1.00 0.00 N ATOM 1627 CA ALA A 112 -9.180 -9.060 -4.417 1.00 0.00 C ATOM 1628 C ALA A 112 -10.481 -9.202 -3.625 1.00 0.00 C ATOM 1629 O ALA A 112 -10.564 -8.769 -2.477 1.00 0.00 O ATOM 1630 CB ALA A 112 -7.941 -9.296 -3.550 1.00 0.00 C ATOM 0 H ALA A 112 -9.929 -7.143 -4.815 1.00 0.00 H new ATOM 0 HA ALA A 112 -9.184 -9.822 -5.196 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -7.988 -10.293 -3.111 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -7.045 -9.212 -4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -7.906 -8.551 -2.755 1.00 0.00 H new ATOM 1636 N THR A 113 -11.465 -9.811 -4.271 1.00 0.00 N ATOM 1637 CA THR A 113 -12.759 -10.016 -3.641 1.00 0.00 C ATOM 1638 C THR A 113 -12.639 -11.013 -2.488 1.00 0.00 C ATOM 1639 O THR A 113 -12.124 -12.116 -2.667 1.00 0.00 O ATOM 1640 CB THR A 113 -13.747 -10.455 -4.724 1.00 0.00 C ATOM 1641 OG1 THR A 113 -14.249 -9.230 -5.253 1.00 0.00 O ATOM 1642 CG2 THR A 113 -14.983 -11.145 -4.143 1.00 0.00 C ATOM 0 H THR A 113 -11.392 -10.169 -5.223 1.00 0.00 H new ATOM 0 HA THR A 113 -13.132 -9.094 -3.194 1.00 0.00 H new ATOM 0 HB THR A 113 -13.248 -11.130 -5.419 1.00 0.00 H new ATOM 0 HG1 THR A 113 -14.631 -9.389 -6.141 1.00 0.00 H new ATOM 0 HG21 THR A 113 -15.652 -11.436 -4.953 1.00 0.00 H new ATOM 0 HG22 THR A 113 -14.677 -12.032 -3.588 1.00 0.00 H new ATOM 0 HG23 THR A 113 -15.502 -10.459 -3.474 1.00 0.00 H new ATOM 1650 N THR A 114 -13.122 -10.590 -1.329 1.00 0.00 N ATOM 1651 CA THR A 114 -13.075 -11.433 -0.146 1.00 0.00 C ATOM 1652 C THR A 114 -13.762 -12.773 -0.418 1.00 0.00 C ATOM 1653 O THR A 114 -14.386 -12.953 -1.462 1.00 0.00 O ATOM 1654 CB THR A 114 -13.699 -10.654 1.014 1.00 0.00 C ATOM 1655 OG1 THR A 114 -14.835 -10.019 0.435 1.00 0.00 O ATOM 1656 CG2 THR A 114 -12.819 -9.492 1.480 1.00 0.00 C ATOM 0 H THR A 114 -13.548 -9.675 -1.184 1.00 0.00 H new ATOM 0 HA THR A 114 -12.048 -11.679 0.124 1.00 0.00 H new ATOM 0 HB THR A 114 -13.879 -11.330 1.850 1.00 0.00 H new ATOM 0 HG1 THR A 114 -14.910 -9.105 0.779 1.00 0.00 H new ATOM 0 HG21 THR A 114 -13.308 -8.973 2.304 1.00 0.00 H new ATOM 0 HG22 THR A 114 -11.855 -9.877 1.814 1.00 0.00 H new ATOM 0 HG23 THR A 114 -12.666 -8.798 0.654 1.00 0.00 H new ATOM 1664 N LEU A 115 -13.624 -13.677 0.540 1.00 0.00 N ATOM 1665 CA LEU A 115 -14.224 -14.995 0.417 1.00 0.00 C ATOM 1666 C LEU A 115 -15.730 -14.891 0.665 1.00 0.00 C ATOM 1667 O LEU A 115 -16.237 -13.815 0.980 1.00 0.00 O ATOM 1668 CB LEU A 115 -13.517 -15.993 1.336 1.00 0.00 C ATOM 1669 CG LEU A 115 -12.019 -16.187 1.090 1.00 0.00 C ATOM 1670 CD1 LEU A 115 -11.650 -15.835 -0.352 1.00 0.00 C ATOM 1671 CD2 LEU A 115 -11.190 -15.395 2.103 1.00 0.00 C ATOM 0 H LEU A 115 -13.106 -13.523 1.405 1.00 0.00 H new ATOM 0 HA LEU A 115 -14.093 -15.380 -0.594 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -13.657 -15.669 2.367 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -14.010 -16.960 1.236 1.00 0.00 H new ATOM 0 HG LEU A 115 -11.783 -17.241 1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -10.580 -15.982 -0.500 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -12.203 -16.479 -1.036 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -11.904 -14.793 -0.549 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -10.129 -15.550 1.906 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -11.424 -14.334 2.015 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -11.425 -15.736 3.111 1.00 0.00 H new