USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 933 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 129 ASN : amide:sc= -4.01! C(o=-8.9!,f=-16!) USER MOD Set 1.2: A 132 GLN : amide:sc= -4.89! C(o=-8.9!,f=-9.5!) USER MOD Set 2.1: A 36 CYS SG : rot -145:sc= -1.33 USER MOD Set 2.2: A 39 CYS SG : rot 170:sc= -0.228 USER MOD Set 3.1: A 27 THR OG1 : rot -42:sc= 1.15 USER MOD Set 3.2: A 59 ASN :FLIP amide:sc= -0.506! F(o=-0.32,f=0.65!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot -140:sc= -0.216 USER MOD Single : A 14 ASN : amide:sc= -0.0666 X(o=-0.067,f=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.000168) USER MOD Single : A 34 SER OG : rot -101:sc= 1.87 USER MOD Single : A 41 SER OG : rot -72:sc= 0.351 USER MOD Single : A 45 GLN : amide:sc= -0.284 K(o=-0.28,f=-3.3!) USER MOD Single : A 46 THR OG1 : rot 77:sc= 0.323 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc=-0.00411 X(o=-0.0041,f=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot -96:sc= -0.956 USER MOD Single : A 65 SER OG : rot 160:sc= -0.19 USER MOD Single : A 70 HIS : no HD1:sc= -0.547 X(o=-0.55,f=-0.31) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0.00191 (180deg=0.00191) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -1.13 K(o=-1.1,f=-4.8!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 THR OG1 : rot 48:sc= 0.147 USER MOD Single : A 95 ASN : amide:sc= -0.0244 X(o=-0.024,f=-0.42) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 102 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -0.88! C(o=-0.88!,f=-0.95!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 TYR OH : rot 180:sc= 0 USER MOD Single : A 110 SER OG : rot 125:sc= 1.25 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -1.02 K(o=-1,f=-2.3!) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot -140:sc= -0.354 USER MOD ----------------------------------------------------------------- ATOM 124 N LEU A 9 0.372 -1.424 12.672 1.00 0.00 N ATOM 125 CA LEU A 9 0.438 -0.153 11.971 1.00 0.00 C ATOM 126 C LEU A 9 -0.961 0.466 11.914 1.00 0.00 C ATOM 127 O LEU A 9 -1.955 -0.249 11.797 1.00 0.00 O ATOM 128 CB LEU A 9 1.088 -0.330 10.597 1.00 0.00 C ATOM 129 CG LEU A 9 2.591 -0.050 10.525 1.00 0.00 C ATOM 130 CD1 LEU A 9 2.864 1.454 10.445 1.00 0.00 C ATOM 131 CD2 LEU A 9 3.327 -0.704 11.695 1.00 0.00 C ATOM 0 HA LEU A 9 1.076 0.546 12.511 1.00 0.00 H new ATOM 0 HB2 LEU A 9 0.913 -1.353 10.263 1.00 0.00 H new ATOM 0 HB3 LEU A 9 0.582 0.327 9.890 1.00 0.00 H new ATOM 0 HG LEU A 9 2.979 -0.498 9.610 1.00 0.00 H new ATOM 0 HD11 LEU A 9 3.939 1.626 10.395 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.389 1.863 9.553 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.459 1.945 11.330 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.393 -0.490 11.620 1.00 0.00 H new ATOM 0 HD22 LEU A 9 2.942 -0.307 12.634 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.171 -1.782 11.666 1.00 0.00 H new ATOM 143 N LYS A 10 -0.994 1.787 12.000 1.00 0.00 N ATOM 144 CA LYS A 10 -2.253 2.510 11.959 1.00 0.00 C ATOM 145 C LYS A 10 -2.400 3.193 10.598 1.00 0.00 C ATOM 146 O LYS A 10 -1.418 3.660 10.025 1.00 0.00 O ATOM 147 CB LYS A 10 -2.358 3.472 13.145 1.00 0.00 C ATOM 148 CG LYS A 10 -2.321 2.710 14.473 1.00 0.00 C ATOM 149 CD LYS A 10 -3.271 3.342 15.493 1.00 0.00 C ATOM 150 CE LYS A 10 -3.633 2.344 16.594 1.00 0.00 C ATOM 151 NZ LYS A 10 -5.097 2.124 16.633 1.00 0.00 N ATOM 0 H LYS A 10 -0.167 2.377 12.098 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.091 1.821 12.062 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.538 4.189 13.110 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.284 4.043 13.074 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -2.599 1.669 14.307 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.305 2.709 14.868 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.804 4.222 15.934 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.177 3.680 14.991 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.122 1.398 16.418 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -3.289 2.717 17.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -5.326 1.444 17.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.579 3.026 16.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -5.416 1.747 15.718 1.00 0.00 H new ATOM 164 N THR A 11 -3.637 3.231 10.123 1.00 0.00 N ATOM 165 CA THR A 11 -3.925 3.850 8.839 1.00 0.00 C ATOM 166 C THR A 11 -4.184 5.348 9.017 1.00 0.00 C ATOM 167 O THR A 11 -4.139 5.861 10.133 1.00 0.00 O ATOM 168 CB THR A 11 -5.100 3.101 8.207 1.00 0.00 C ATOM 169 OG1 THR A 11 -6.018 2.923 9.283 1.00 0.00 O ATOM 170 CG2 THR A 11 -4.730 1.674 7.794 1.00 0.00 C ATOM 0 H THR A 11 -4.450 2.844 10.603 1.00 0.00 H new ATOM 0 HA THR A 11 -3.073 3.777 8.163 1.00 0.00 H new ATOM 0 HB THR A 11 -5.455 3.652 7.336 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.418 2.030 9.228 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.599 1.187 7.351 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.920 1.705 7.065 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.407 1.113 8.671 1.00 0.00 H new ATOM 178 N ALA A 12 -4.450 6.006 7.898 1.00 0.00 N ATOM 179 CA ALA A 12 -4.717 7.433 7.915 1.00 0.00 C ATOM 180 C ALA A 12 -6.050 7.691 8.619 1.00 0.00 C ATOM 181 O ALA A 12 -6.397 8.838 8.901 1.00 0.00 O ATOM 182 CB ALA A 12 -4.699 7.974 6.484 1.00 0.00 C ATOM 0 H ALA A 12 -4.486 5.576 6.974 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.943 7.960 8.472 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -4.900 9.045 6.497 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -3.720 7.794 6.039 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -5.464 7.469 5.894 1.00 0.00 H new ATOM 188 N ASP A 13 -6.761 6.606 8.886 1.00 0.00 N ATOM 189 CA ASP A 13 -8.049 6.699 9.552 1.00 0.00 C ATOM 190 C ASP A 13 -7.893 6.278 11.015 1.00 0.00 C ATOM 191 O ASP A 13 -8.852 5.833 11.642 1.00 0.00 O ATOM 192 CB ASP A 13 -9.076 5.771 8.900 1.00 0.00 C ATOM 193 CG ASP A 13 -8.481 4.619 8.087 1.00 0.00 C ATOM 194 OD1 ASP A 13 -7.520 4.804 7.326 1.00 0.00 O ATOM 195 OD2 ASP A 13 -9.054 3.477 8.262 1.00 0.00 O ATOM 0 H ASP A 13 -6.469 5.657 8.653 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.395 7.730 9.474 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -9.714 5.354 9.680 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.717 6.364 8.247 1.00 0.00 H new ATOM 201 N ASN A 14 -6.677 6.436 11.517 1.00 0.00 N ATOM 202 CA ASN A 14 -6.383 6.079 12.894 1.00 0.00 C ATOM 203 C ASN A 14 -6.938 4.683 13.184 1.00 0.00 C ATOM 204 O ASN A 14 -7.327 4.386 14.311 1.00 0.00 O ATOM 205 CB ASN A 14 -7.036 7.058 13.869 1.00 0.00 C ATOM 206 CG ASN A 14 -5.985 7.751 14.738 1.00 0.00 C ATOM 207 OD1 ASN A 14 -5.862 8.964 14.760 1.00 0.00 O ATOM 208 ND2 ASN A 14 -5.236 6.915 15.451 1.00 0.00 N ATOM 0 H ASN A 14 -5.884 6.807 10.994 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.301 6.107 13.025 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -7.604 7.805 13.314 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -7.744 6.526 14.504 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.506 7.280 16.063 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.392 5.909 15.386 1.00 0.00 H new ATOM 215 N ARG A 15 -6.957 3.862 12.143 1.00 0.00 N ATOM 216 CA ARG A 15 -7.459 2.503 12.271 1.00 0.00 C ATOM 217 C ARG A 15 -6.298 1.508 12.275 1.00 0.00 C ATOM 218 O ARG A 15 -5.218 1.805 11.768 1.00 0.00 O ATOM 219 CB ARG A 15 -8.413 2.158 11.126 1.00 0.00 C ATOM 220 CG ARG A 15 -9.870 2.373 11.545 1.00 0.00 C ATOM 221 CD ARG A 15 -10.660 1.062 11.473 1.00 0.00 C ATOM 222 NE ARG A 15 -12.018 1.319 10.946 1.00 0.00 N ATOM 223 CZ ARG A 15 -13.002 1.918 11.650 1.00 0.00 C ATOM 224 NH1 ARG A 15 -12.784 2.330 12.918 1.00 0.00 N ATOM 225 NH2 ARG A 15 -14.179 2.097 11.081 1.00 0.00 N ATOM 0 H ARG A 15 -6.633 4.111 11.208 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.002 2.437 13.214 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.185 2.777 10.258 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.266 1.121 10.825 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.906 2.768 12.560 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.333 3.117 10.897 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.141 0.350 10.832 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.724 0.612 12.463 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.224 1.025 9.991 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.871 2.189 13.350 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.533 2.782 13.443 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.335 1.784 10.123 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.933 2.548 11.599 1.00 0.00 H new ATOM 238 N PRO A 16 -6.567 0.313 12.868 1.00 0.00 N ATOM 239 CA PRO A 16 -5.557 -0.729 12.944 1.00 0.00 C ATOM 240 C PRO A 16 -5.364 -1.407 11.587 1.00 0.00 C ATOM 241 O PRO A 16 -6.335 -1.814 10.949 1.00 0.00 O ATOM 242 CB PRO A 16 -6.055 -1.681 14.018 1.00 0.00 C ATOM 243 CG PRO A 16 -7.539 -1.393 14.177 1.00 0.00 C ATOM 244 CD PRO A 16 -7.834 -0.076 13.479 1.00 0.00 C ATOM 0 HA PRO A 16 -4.571 -0.341 13.200 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.888 -2.718 13.728 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -5.524 -1.523 14.957 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -8.133 -2.197 13.742 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.806 -1.334 15.232 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.616 -0.192 12.729 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -8.180 0.678 14.186 1.00 0.00 H new ATOM 252 N ALA A 17 -4.107 -1.509 11.184 1.00 0.00 N ATOM 253 CA ALA A 17 -3.776 -2.131 9.914 1.00 0.00 C ATOM 254 C ALA A 17 -4.513 -3.467 9.797 1.00 0.00 C ATOM 255 O ALA A 17 -4.882 -3.881 8.699 1.00 0.00 O ATOM 256 CB ALA A 17 -2.258 -2.292 9.804 1.00 0.00 C ATOM 0 H ALA A 17 -3.304 -1.171 11.715 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.099 -1.502 9.084 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -2.010 -2.759 8.851 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.783 -1.313 9.863 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.899 -2.919 10.620 1.00 0.00 H new ATOM 262 N SER A 18 -4.706 -4.102 10.943 1.00 0.00 N ATOM 263 CA SER A 18 -5.393 -5.381 10.983 1.00 0.00 C ATOM 264 C SER A 18 -6.704 -5.297 10.197 1.00 0.00 C ATOM 265 O SER A 18 -7.218 -6.310 9.730 1.00 0.00 O ATOM 266 CB SER A 18 -5.667 -5.815 12.425 1.00 0.00 C ATOM 267 OG SER A 18 -6.729 -5.072 13.014 1.00 0.00 O ATOM 0 H SER A 18 -4.398 -3.754 11.851 1.00 0.00 H new ATOM 0 HA SER A 18 -4.748 -6.129 10.523 1.00 0.00 H new ATOM 0 HB2 SER A 18 -5.914 -6.877 12.443 1.00 0.00 H new ATOM 0 HB3 SER A 18 -4.762 -5.688 13.020 1.00 0.00 H new ATOM 0 HG SER A 18 -6.874 -5.380 13.933 1.00 0.00 H new ATOM 273 N VAL A 19 -7.206 -4.076 10.077 1.00 0.00 N ATOM 274 CA VAL A 19 -8.447 -3.846 9.356 1.00 0.00 C ATOM 275 C VAL A 19 -8.336 -4.450 7.954 1.00 0.00 C ATOM 276 O VAL A 19 -9.331 -4.904 7.391 1.00 0.00 O ATOM 277 CB VAL A 19 -8.771 -2.351 9.339 1.00 0.00 C ATOM 278 CG1 VAL A 19 -10.005 -2.068 8.479 1.00 0.00 C ATOM 279 CG2 VAL A 19 -8.958 -1.813 10.758 1.00 0.00 C ATOM 0 H VAL A 19 -6.776 -3.237 10.466 1.00 0.00 H new ATOM 0 HA VAL A 19 -9.279 -4.340 9.858 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.924 -1.830 8.893 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.214 -0.998 8.484 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.819 -2.397 7.457 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.862 -2.607 8.884 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.187 -0.748 10.716 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.779 -2.342 11.243 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.042 -1.965 11.328 1.00 0.00 H new ATOM 289 N TYR A 20 -7.119 -4.434 7.432 1.00 0.00 N ATOM 290 CA TYR A 20 -6.866 -4.976 6.106 1.00 0.00 C ATOM 291 C TYR A 20 -5.627 -5.873 6.108 1.00 0.00 C ATOM 292 O TYR A 20 -5.003 -6.078 5.068 1.00 0.00 O ATOM 293 CB TYR A 20 -6.607 -3.770 5.202 1.00 0.00 C ATOM 294 CG TYR A 20 -7.864 -3.212 4.532 1.00 0.00 C ATOM 295 CD1 TYR A 20 -8.594 -4.002 3.667 1.00 0.00 C ATOM 296 CD2 TYR A 20 -8.269 -1.919 4.793 1.00 0.00 C ATOM 297 CE1 TYR A 20 -9.777 -3.478 3.038 1.00 0.00 C ATOM 298 CE2 TYR A 20 -9.452 -1.394 4.162 1.00 0.00 C ATOM 299 CZ TYR A 20 -10.149 -2.199 3.315 1.00 0.00 C ATOM 300 OH TYR A 20 -11.266 -1.704 2.720 1.00 0.00 O ATOM 0 H TYR A 20 -6.297 -4.055 7.902 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.710 -5.578 5.769 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.141 -2.980 5.792 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -5.892 -4.055 4.430 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -8.277 -5.014 3.462 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -7.699 -1.301 5.471 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -10.357 -4.087 2.361 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -9.779 -0.383 4.357 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.410 -0.780 3.012 1.00 0.00 H new ATOM 310 N LEU A 21 -5.307 -6.384 7.288 1.00 0.00 N ATOM 311 CA LEU A 21 -4.155 -7.256 7.439 1.00 0.00 C ATOM 312 C LEU A 21 -4.630 -8.675 7.755 1.00 0.00 C ATOM 313 O LEU A 21 -5.336 -8.892 8.739 1.00 0.00 O ATOM 314 CB LEU A 21 -3.185 -6.687 8.477 1.00 0.00 C ATOM 315 CG LEU A 21 -1.761 -6.416 7.987 1.00 0.00 C ATOM 316 CD1 LEU A 21 -1.183 -7.641 7.276 1.00 0.00 C ATOM 317 CD2 LEU A 21 -1.712 -5.165 7.107 1.00 0.00 C ATOM 0 H LEU A 21 -5.826 -6.210 8.149 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.594 -7.309 6.506 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -3.600 -5.755 8.860 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.133 -7.381 9.316 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.132 -6.222 8.856 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.170 -7.421 6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.160 -8.485 7.966 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -1.806 -7.891 6.417 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -0.689 -4.995 6.772 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.359 -5.304 6.241 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.054 -4.303 7.680 1.00 0.00 H new ATOM 329 N LYS A 22 -4.225 -9.604 6.902 1.00 0.00 N ATOM 330 CA LYS A 22 -4.601 -10.997 7.076 1.00 0.00 C ATOM 331 C LYS A 22 -3.353 -11.822 7.397 1.00 0.00 C ATOM 332 O LYS A 22 -2.594 -12.180 6.498 1.00 0.00 O ATOM 333 CB LYS A 22 -5.375 -11.501 5.857 1.00 0.00 C ATOM 334 CG LYS A 22 -6.855 -11.698 6.191 1.00 0.00 C ATOM 335 CD LYS A 22 -7.073 -12.993 6.976 1.00 0.00 C ATOM 336 CE LYS A 22 -8.356 -13.696 6.532 1.00 0.00 C ATOM 337 NZ LYS A 22 -9.461 -13.400 7.470 1.00 0.00 N ATOM 0 H LYS A 22 -3.640 -9.419 6.087 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.281 -11.104 7.921 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -5.275 -10.789 5.038 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -4.947 -12.443 5.514 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.216 -10.850 6.774 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.439 -11.724 5.271 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -6.221 -13.658 6.831 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.126 -12.771 8.042 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.627 -13.371 5.528 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -8.190 -14.772 6.484 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -10.325 -13.885 7.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -9.207 -13.732 8.422 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -9.630 -12.374 7.495 1.00 0.00 H new ATOM 350 N LYS A 23 -3.179 -12.097 8.681 1.00 0.00 N ATOM 351 CA LYS A 23 -2.035 -12.873 9.131 1.00 0.00 C ATOM 352 C LYS A 23 -2.200 -14.326 8.679 1.00 0.00 C ATOM 353 O LYS A 23 -2.166 -15.241 9.501 1.00 0.00 O ATOM 354 CB LYS A 23 -1.841 -12.716 10.641 1.00 0.00 C ATOM 355 CG LYS A 23 -3.036 -13.286 11.410 1.00 0.00 C ATOM 356 CD LYS A 23 -2.603 -14.441 12.315 1.00 0.00 C ATOM 357 CE LYS A 23 -2.029 -13.917 13.634 1.00 0.00 C ATOM 358 NZ LYS A 23 -2.348 -14.845 14.742 1.00 0.00 N ATOM 0 H LYS A 23 -3.810 -11.797 9.424 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.118 -12.499 8.675 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -0.929 -13.227 10.949 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -1.715 -11.662 10.887 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -3.495 -12.501 12.011 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -3.793 -13.634 10.707 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -3.456 -15.089 12.517 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -1.855 -15.048 11.804 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -0.949 -13.802 13.547 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -2.438 -12.930 13.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -1.952 -14.475 15.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -3.380 -14.934 14.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.937 -15.779 14.542 1.00 0.00 H new ATOM 371 N ASP A 24 -2.376 -14.491 7.377 1.00 0.00 N ATOM 372 CA ASP A 24 -2.548 -15.817 6.809 1.00 0.00 C ATOM 373 C ASP A 24 -2.802 -15.692 5.305 1.00 0.00 C ATOM 374 O ASP A 24 -3.560 -16.475 4.733 1.00 0.00 O ATOM 375 CB ASP A 24 -3.746 -16.534 7.433 1.00 0.00 C ATOM 376 CG ASP A 24 -3.686 -18.062 7.374 1.00 0.00 C ATOM 377 OD1 ASP A 24 -4.481 -18.706 6.673 1.00 0.00 O ATOM 378 OD2 ASP A 24 -2.764 -18.601 8.097 1.00 0.00 O ATOM 0 H ASP A 24 -2.403 -13.729 6.699 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.642 -16.390 7.009 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.831 -16.228 8.476 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -4.653 -16.201 6.929 1.00 0.00 H new ATOM 384 N LYS A 25 -2.155 -14.703 4.707 1.00 0.00 N ATOM 385 CA LYS A 25 -2.302 -14.466 3.280 1.00 0.00 C ATOM 386 C LYS A 25 -1.250 -13.452 2.824 1.00 0.00 C ATOM 387 O LYS A 25 -0.602 -12.810 3.651 1.00 0.00 O ATOM 388 CB LYS A 25 -3.738 -14.052 2.952 1.00 0.00 C ATOM 389 CG LYS A 25 -4.525 -15.224 2.362 1.00 0.00 C ATOM 390 CD LYS A 25 -5.959 -15.245 2.895 1.00 0.00 C ATOM 391 CE LYS A 25 -6.970 -15.245 1.745 1.00 0.00 C ATOM 392 NZ LYS A 25 -8.337 -15.491 2.257 1.00 0.00 N ATOM 0 H LYS A 25 -1.527 -14.056 5.184 1.00 0.00 H new ATOM 0 HA LYS A 25 -2.123 -15.384 2.721 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -4.233 -13.695 3.855 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.729 -13.223 2.245 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -4.538 -15.147 1.275 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -4.028 -16.162 2.609 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -6.108 -16.129 3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -6.127 -14.377 3.532 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -6.937 -14.288 1.224 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.704 -16.013 1.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -9.010 -15.488 1.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -8.368 -16.415 2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.594 -14.744 2.933 1.00 0.00 H new ATOM 405 N PRO A 26 -1.110 -13.336 1.478 1.00 0.00 N ATOM 406 CA PRO A 26 -0.148 -12.412 0.903 1.00 0.00 C ATOM 407 C PRO A 26 -0.643 -10.968 1.010 1.00 0.00 C ATOM 408 O PRO A 26 -1.806 -10.684 0.729 1.00 0.00 O ATOM 409 CB PRO A 26 0.032 -12.872 -0.534 1.00 0.00 C ATOM 410 CG PRO A 26 -1.175 -13.744 -0.846 1.00 0.00 C ATOM 411 CD PRO A 26 -1.860 -14.079 0.470 1.00 0.00 C ATOM 0 HA PRO A 26 0.806 -12.417 1.431 1.00 0.00 H new ATOM 0 HB2 PRO A 26 0.085 -12.021 -1.213 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.960 -13.432 -0.652 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.862 -13.221 -1.512 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.866 -14.655 -1.358 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -2.909 -13.782 0.458 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.835 -15.151 0.668 1.00 0.00 H new ATOM 419 N THR A 27 0.264 -10.093 1.418 1.00 0.00 N ATOM 420 CA THR A 27 -0.066 -8.686 1.566 1.00 0.00 C ATOM 421 C THR A 27 0.757 -7.840 0.592 1.00 0.00 C ATOM 422 O THR A 27 1.982 -7.948 0.551 1.00 0.00 O ATOM 423 CB THR A 27 0.146 -8.303 3.032 1.00 0.00 C ATOM 424 OG1 THR A 27 -0.710 -9.188 3.750 1.00 0.00 O ATOM 425 CG2 THR A 27 -0.400 -6.911 3.357 1.00 0.00 C ATOM 0 H THR A 27 1.228 -10.331 1.651 1.00 0.00 H new ATOM 0 HA THR A 27 -1.109 -8.495 1.312 1.00 0.00 H new ATOM 0 HB THR A 27 1.210 -8.340 3.267 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.569 -9.262 3.284 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.224 -6.688 4.409 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.105 -6.169 2.739 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.471 -6.884 3.154 1.00 0.00 H new ATOM 433 N LEU A 28 0.050 -7.017 -0.169 1.00 0.00 N ATOM 434 CA LEU A 28 0.699 -6.152 -1.139 1.00 0.00 C ATOM 435 C LEU A 28 0.621 -4.703 -0.658 1.00 0.00 C ATOM 436 O LEU A 28 -0.454 -4.219 -0.304 1.00 0.00 O ATOM 437 CB LEU A 28 0.104 -6.371 -2.532 1.00 0.00 C ATOM 438 CG LEU A 28 0.954 -5.885 -3.708 1.00 0.00 C ATOM 439 CD1 LEU A 28 2.202 -6.753 -3.877 1.00 0.00 C ATOM 440 CD2 LEU A 28 0.126 -5.817 -4.993 1.00 0.00 C ATOM 0 H LEU A 28 -0.966 -6.931 -0.133 1.00 0.00 H new ATOM 0 HA LEU A 28 1.757 -6.402 -1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.084 -7.437 -2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -0.862 -5.869 -2.576 1.00 0.00 H new ATOM 0 HG LEU A 28 1.292 -4.872 -3.489 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.789 -6.387 -4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.803 -6.707 -2.969 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.905 -7.785 -4.063 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.754 -5.469 -5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.262 -6.808 -5.229 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.705 -5.126 -4.854 1.00 0.00 H new ATOM 452 N ILE A 29 1.773 -4.049 -0.661 1.00 0.00 N ATOM 453 CA ILE A 29 1.849 -2.663 -0.229 1.00 0.00 C ATOM 454 C ILE A 29 2.096 -1.767 -1.444 1.00 0.00 C ATOM 455 O ILE A 29 2.749 -2.181 -2.402 1.00 0.00 O ATOM 456 CB ILE A 29 2.894 -2.504 0.877 1.00 0.00 C ATOM 457 CG1 ILE A 29 2.700 -3.554 1.972 1.00 0.00 C ATOM 458 CG2 ILE A 29 2.886 -1.081 1.439 1.00 0.00 C ATOM 459 CD1 ILE A 29 4.036 -3.922 2.623 1.00 0.00 C ATOM 0 H ILE A 29 2.662 -4.453 -0.956 1.00 0.00 H new ATOM 0 HA ILE A 29 0.903 -2.348 0.211 1.00 0.00 H new ATOM 0 HB ILE A 29 3.879 -2.673 0.442 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.015 -3.172 2.729 1.00 0.00 H new ATOM 0 HG13 ILE A 29 2.240 -4.447 1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.638 -0.995 2.223 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.112 -0.373 0.641 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.903 -0.859 1.853 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.869 -4.670 3.398 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.710 -4.326 1.867 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.481 -3.032 3.068 1.00 0.00 H new ATOM 471 N LYS A 30 1.565 -0.557 -1.365 1.00 0.00 N ATOM 472 CA LYS A 30 1.719 0.401 -2.446 1.00 0.00 C ATOM 473 C LYS A 30 1.997 1.786 -1.858 1.00 0.00 C ATOM 474 O LYS A 30 1.144 2.363 -1.187 1.00 0.00 O ATOM 475 CB LYS A 30 0.504 0.361 -3.376 1.00 0.00 C ATOM 476 CG LYS A 30 0.614 1.425 -4.468 1.00 0.00 C ATOM 477 CD LYS A 30 -0.768 1.954 -4.861 1.00 0.00 C ATOM 478 CE LYS A 30 -0.660 3.321 -5.538 1.00 0.00 C ATOM 479 NZ LYS A 30 -0.021 3.194 -6.866 1.00 0.00 N ATOM 0 H LYS A 30 1.027 -0.217 -0.568 1.00 0.00 H new ATOM 0 HA LYS A 30 2.576 0.139 -3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.423 -0.626 -3.832 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.406 0.521 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.236 2.248 -4.117 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.108 1.003 -5.343 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.253 1.248 -5.535 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.397 2.032 -3.974 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -1.652 3.759 -5.646 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.079 3.998 -4.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 0.029 4.129 -7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 0.940 2.812 -6.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -0.582 2.551 -7.461 1.00 0.00 H new ATOM 492 N PHE A 31 3.197 2.279 -2.133 1.00 0.00 N ATOM 493 CA PHE A 31 3.598 3.587 -1.641 1.00 0.00 C ATOM 494 C PHE A 31 3.117 4.697 -2.576 1.00 0.00 C ATOM 495 O PHE A 31 3.303 4.615 -3.789 1.00 0.00 O ATOM 496 CB PHE A 31 5.127 3.598 -1.597 1.00 0.00 C ATOM 497 CG PHE A 31 5.735 2.446 -0.794 1.00 0.00 C ATOM 498 CD1 PHE A 31 5.940 1.238 -1.385 1.00 0.00 C ATOM 499 CD2 PHE A 31 6.072 2.629 0.510 1.00 0.00 C ATOM 500 CE1 PHE A 31 6.505 0.170 -0.640 1.00 0.00 C ATOM 501 CE2 PHE A 31 6.637 1.561 1.256 1.00 0.00 C ATOM 502 CZ PHE A 31 6.842 0.354 0.665 1.00 0.00 C ATOM 0 H PHE A 31 3.903 1.797 -2.689 1.00 0.00 H new ATOM 0 HA PHE A 31 3.161 3.765 -0.658 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.510 3.558 -2.617 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.461 4.543 -1.168 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.673 1.092 -2.421 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.910 3.588 0.979 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.667 -0.789 -1.109 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.904 1.707 2.292 1.00 0.00 H new ATOM 0 HZ PHE A 31 7.272 -0.459 1.231 1.00 0.00 H new ATOM 512 N TRP A 32 2.509 5.710 -1.977 1.00 0.00 N ATOM 513 CA TRP A 32 2.001 6.836 -2.742 1.00 0.00 C ATOM 514 C TRP A 32 2.345 8.118 -1.982 1.00 0.00 C ATOM 515 O TRP A 32 2.741 8.067 -0.818 1.00 0.00 O ATOM 516 CB TRP A 32 0.503 6.685 -3.011 1.00 0.00 C ATOM 517 CG TRP A 32 -0.352 6.596 -1.744 1.00 0.00 C ATOM 518 CD1 TRP A 32 -0.351 5.631 -0.815 1.00 0.00 C ATOM 519 CD2 TRP A 32 -1.337 7.554 -1.303 1.00 0.00 C ATOM 520 NE1 TRP A 32 -1.260 5.894 0.190 1.00 0.00 N ATOM 521 CE2 TRP A 32 -1.879 7.101 -0.117 1.00 0.00 C ATOM 522 CE3 TRP A 32 -1.756 8.763 -1.886 1.00 0.00 C ATOM 523 CZ2 TRP A 32 -2.869 7.796 0.587 1.00 0.00 C ATOM 524 CZ3 TRP A 32 -2.748 9.444 -1.171 1.00 0.00 C ATOM 525 CH2 TRP A 32 -3.303 9.002 0.025 1.00 0.00 C ATOM 0 H TRP A 32 2.357 5.775 -0.971 1.00 0.00 H new ATOM 0 HA TRP A 32 2.471 6.877 -3.725 1.00 0.00 H new ATOM 0 HB2 TRP A 32 0.164 7.533 -3.607 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.341 5.789 -3.610 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.282 4.756 -0.848 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.444 5.311 1.007 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -1.345 9.137 -2.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.276 7.422 1.515 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -3.108 10.378 -1.577 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -4.066 9.587 0.518 1.00 0.00 H new ATOM 536 N ALA A 33 2.181 9.239 -2.670 1.00 0.00 N ATOM 537 CA ALA A 33 2.469 10.533 -2.075 1.00 0.00 C ATOM 538 C ALA A 33 1.307 11.486 -2.351 1.00 0.00 C ATOM 539 O ALA A 33 0.653 11.391 -3.389 1.00 0.00 O ATOM 540 CB ALA A 33 3.799 11.059 -2.617 1.00 0.00 C ATOM 0 H ALA A 33 1.852 9.277 -3.635 1.00 0.00 H new ATOM 0 HA ALA A 33 2.571 10.445 -0.993 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.015 12.030 -2.171 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.596 10.359 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 33 3.735 11.164 -3.700 1.00 0.00 H new ATOM 546 N SER A 34 1.083 12.386 -1.404 1.00 0.00 N ATOM 547 CA SER A 34 0.010 13.357 -1.532 1.00 0.00 C ATOM 548 C SER A 34 0.374 14.402 -2.588 1.00 0.00 C ATOM 549 O SER A 34 -0.481 14.834 -3.361 1.00 0.00 O ATOM 550 CB SER A 34 -0.282 14.035 -0.192 1.00 0.00 C ATOM 551 OG SER A 34 -1.672 14.296 -0.017 1.00 0.00 O ATOM 0 H SER A 34 1.627 12.463 -0.545 1.00 0.00 H new ATOM 0 HA SER A 34 -0.892 12.831 -1.846 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.073 13.400 0.620 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.273 14.971 -0.131 1.00 0.00 H new ATOM 0 HG SER A 34 -1.854 15.239 -0.209 1.00 0.00 H new ATOM 557 N TRP A 35 1.644 14.780 -2.587 1.00 0.00 N ATOM 558 CA TRP A 35 2.133 15.768 -3.535 1.00 0.00 C ATOM 559 C TRP A 35 2.133 15.128 -4.925 1.00 0.00 C ATOM 560 O TRP A 35 2.239 15.825 -5.934 1.00 0.00 O ATOM 561 CB TRP A 35 3.507 16.294 -3.119 1.00 0.00 C ATOM 562 CG TRP A 35 4.555 15.200 -2.910 1.00 0.00 C ATOM 563 CD1 TRP A 35 5.078 14.770 -1.753 1.00 0.00 C ATOM 564 CD2 TRP A 35 5.192 14.411 -3.937 1.00 0.00 C ATOM 565 NE1 TRP A 35 6.001 13.765 -1.958 1.00 0.00 N ATOM 566 CE2 TRP A 35 6.073 13.540 -3.329 1.00 0.00 C ATOM 567 CE3 TRP A 35 5.030 14.432 -5.333 1.00 0.00 C ATOM 568 CZ2 TRP A 35 6.860 12.625 -4.038 1.00 0.00 C ATOM 569 CZ3 TRP A 35 5.824 13.513 -6.028 1.00 0.00 C ATOM 570 CH2 TRP A 35 6.714 12.629 -5.431 1.00 0.00 C ATOM 0 H TRP A 35 2.350 14.420 -1.945 1.00 0.00 H new ATOM 0 HA TRP A 35 1.481 16.642 -3.553 1.00 0.00 H new ATOM 0 HB2 TRP A 35 3.866 16.986 -3.881 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.402 16.864 -2.196 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.811 15.161 -0.782 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.533 13.277 -1.237 1.00 0.00 H new ATOM 0 HE3 TRP A 35 4.347 15.104 -5.830 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 7.542 11.953 -3.538 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 5.739 13.489 -7.104 1.00 0.00 H new ATOM 0 HH2 TRP A 35 7.291 11.948 -6.039 1.00 0.00 H new ATOM 581 N CYS A 36 2.013 13.808 -4.935 1.00 0.00 N ATOM 582 CA CYS A 36 1.997 13.067 -6.184 1.00 0.00 C ATOM 583 C CYS A 36 0.557 13.019 -6.697 1.00 0.00 C ATOM 584 O CYS A 36 -0.308 12.409 -6.072 1.00 0.00 O ATOM 585 CB CYS A 36 2.591 11.666 -6.018 1.00 0.00 C ATOM 586 SG CYS A 36 2.642 10.811 -7.636 1.00 0.00 S ATOM 0 H CYS A 36 1.926 13.233 -4.097 1.00 0.00 H new ATOM 0 HA CYS A 36 2.625 13.573 -6.917 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.596 11.735 -5.602 1.00 0.00 H new ATOM 0 HB3 CYS A 36 1.993 11.090 -5.312 1.00 0.00 H new ATOM 0 HG CYS A 36 2.426 9.541 -7.463 1.00 0.00 H new ATOM 592 N PRO A 37 0.339 13.688 -7.861 1.00 0.00 N ATOM 593 CA PRO A 37 -0.981 13.728 -8.465 1.00 0.00 C ATOM 594 C PRO A 37 -1.321 12.392 -9.130 1.00 0.00 C ATOM 595 O PRO A 37 -2.410 11.855 -8.933 1.00 0.00 O ATOM 596 CB PRO A 37 -0.928 14.884 -9.451 1.00 0.00 C ATOM 597 CG PRO A 37 0.547 15.152 -9.700 1.00 0.00 C ATOM 598 CD PRO A 37 1.341 14.422 -8.630 1.00 0.00 C ATOM 0 HA PRO A 37 -1.773 13.882 -7.733 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.441 14.630 -10.379 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.422 15.767 -9.045 1.00 0.00 H new ATOM 0 HG2 PRO A 37 0.836 14.806 -10.692 1.00 0.00 H new ATOM 0 HG3 PRO A 37 0.752 16.222 -9.664 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.074 13.747 -9.072 1.00 0.00 H new ATOM 0 HD3 PRO A 37 1.891 15.120 -7.999 1.00 0.00 H new ATOM 606 N LEU A 38 -0.368 11.894 -9.904 1.00 0.00 N ATOM 607 CA LEU A 38 -0.551 10.630 -10.599 1.00 0.00 C ATOM 608 C LEU A 38 -0.945 9.551 -9.589 1.00 0.00 C ATOM 609 O LEU A 38 -1.625 8.587 -9.938 1.00 0.00 O ATOM 610 CB LEU A 38 0.693 10.282 -11.416 1.00 0.00 C ATOM 611 CG LEU A 38 1.754 9.443 -10.699 1.00 0.00 C ATOM 612 CD1 LEU A 38 1.825 8.032 -11.288 1.00 0.00 C ATOM 613 CD2 LEU A 38 3.113 10.143 -10.720 1.00 0.00 C ATOM 0 H LEU A 38 0.534 12.343 -10.066 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.365 10.706 -11.320 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.377 9.745 -12.311 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.157 11.211 -11.749 1.00 0.00 H new ATOM 0 HG LEU A 38 1.462 9.342 -9.654 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.586 7.456 -10.762 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.858 7.542 -11.177 1.00 0.00 H new ATOM 0 HD13 LEU A 38 2.082 8.092 -12.346 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.848 9.526 -10.204 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.428 10.296 -11.752 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.033 11.108 -10.219 1.00 0.00 H new ATOM 625 N CYS A 39 -0.504 9.748 -8.355 1.00 0.00 N ATOM 626 CA CYS A 39 -0.802 8.804 -7.292 1.00 0.00 C ATOM 627 C CYS A 39 -2.244 9.035 -6.834 1.00 0.00 C ATOM 628 O CYS A 39 -3.049 8.108 -6.816 1.00 0.00 O ATOM 629 CB CYS A 39 0.191 8.924 -6.134 1.00 0.00 C ATOM 630 SG CYS A 39 1.613 7.807 -6.413 1.00 0.00 S ATOM 0 H CYS A 39 0.058 10.549 -8.068 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.700 7.786 -7.667 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.538 9.954 -6.047 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.301 8.673 -5.194 1.00 0.00 H new ATOM 0 HG CYS A 39 2.546 8.067 -5.546 1.00 0.00 H new ATOM 636 N LEU A 40 -2.524 10.280 -6.475 1.00 0.00 N ATOM 637 CA LEU A 40 -3.854 10.645 -6.019 1.00 0.00 C ATOM 638 C LEU A 40 -4.890 10.157 -7.034 1.00 0.00 C ATOM 639 O LEU A 40 -5.897 9.559 -6.659 1.00 0.00 O ATOM 640 CB LEU A 40 -3.930 12.147 -5.737 1.00 0.00 C ATOM 641 CG LEU A 40 -3.351 12.609 -4.398 1.00 0.00 C ATOM 642 CD1 LEU A 40 -3.018 14.103 -4.431 1.00 0.00 C ATOM 643 CD2 LEU A 40 -4.292 12.257 -3.244 1.00 0.00 C ATOM 0 H LEU A 40 -1.853 11.048 -6.491 1.00 0.00 H new ATOM 0 HA LEU A 40 -4.080 10.154 -5.072 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.409 12.673 -6.537 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.975 12.453 -5.783 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.417 12.074 -4.227 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -2.608 14.406 -3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.284 14.295 -5.214 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.924 14.673 -4.635 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.857 12.596 -2.304 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.254 12.747 -3.397 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.436 11.177 -3.209 1.00 0.00 H new ATOM 655 N SER A 41 -4.605 10.430 -8.299 1.00 0.00 N ATOM 656 CA SER A 41 -5.498 10.025 -9.371 1.00 0.00 C ATOM 657 C SER A 41 -5.605 8.499 -9.416 1.00 0.00 C ATOM 658 O SER A 41 -6.600 7.956 -9.895 1.00 0.00 O ATOM 659 CB SER A 41 -5.020 10.564 -10.720 1.00 0.00 C ATOM 660 OG SER A 41 -3.620 10.370 -10.907 1.00 0.00 O ATOM 0 H SER A 41 -3.768 10.927 -8.605 1.00 0.00 H new ATOM 0 HA SER A 41 -6.484 10.446 -9.171 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.565 10.067 -11.523 1.00 0.00 H new ATOM 0 HB3 SER A 41 -5.251 11.627 -10.788 1.00 0.00 H new ATOM 0 HG SER A 41 -3.124 10.986 -10.328 1.00 0.00 H new ATOM 666 N GLU A 42 -4.564 7.851 -8.913 1.00 0.00 N ATOM 667 CA GLU A 42 -4.528 6.399 -8.890 1.00 0.00 C ATOM 668 C GLU A 42 -5.195 5.870 -7.618 1.00 0.00 C ATOM 669 O GLU A 42 -5.785 4.791 -7.624 1.00 0.00 O ATOM 670 CB GLU A 42 -3.093 5.884 -9.009 1.00 0.00 C ATOM 671 CG GLU A 42 -2.743 5.568 -10.465 1.00 0.00 C ATOM 672 CD GLU A 42 -2.736 4.059 -10.714 1.00 0.00 C ATOM 673 OE1 GLU A 42 -2.523 3.278 -9.774 1.00 0.00 O ATOM 674 OE2 GLU A 42 -2.965 3.706 -11.933 1.00 0.00 O ATOM 0 H GLU A 42 -3.740 8.305 -8.519 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.086 6.029 -9.750 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.401 6.631 -8.619 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.972 4.988 -8.400 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -3.465 6.046 -11.128 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.765 5.984 -10.706 1.00 0.00 H new ATOM 682 N LEU A 43 -5.078 6.656 -6.558 1.00 0.00 N ATOM 683 CA LEU A 43 -5.664 6.282 -5.282 1.00 0.00 C ATOM 684 C LEU A 43 -7.089 5.774 -5.507 1.00 0.00 C ATOM 685 O LEU A 43 -7.447 4.690 -5.048 1.00 0.00 O ATOM 686 CB LEU A 43 -5.574 7.443 -4.290 1.00 0.00 C ATOM 687 CG LEU A 43 -4.371 7.426 -3.345 1.00 0.00 C ATOM 688 CD1 LEU A 43 -4.766 6.905 -1.961 1.00 0.00 C ATOM 689 CD2 LEU A 43 -3.211 6.632 -3.948 1.00 0.00 C ATOM 0 H LEU A 43 -4.586 7.550 -6.556 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.102 5.464 -4.831 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -5.555 8.376 -4.854 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.483 7.452 -3.689 1.00 0.00 H new ATOM 0 HG LEU A 43 -4.025 8.451 -3.215 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.892 6.904 -1.310 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -5.535 7.550 -1.535 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.153 5.890 -2.051 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.369 6.636 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -3.528 5.605 -4.128 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -2.908 7.089 -4.890 1.00 0.00 H new ATOM 701 N GLY A 44 -7.865 6.582 -6.215 1.00 0.00 N ATOM 702 CA GLY A 44 -9.244 6.229 -6.508 1.00 0.00 C ATOM 703 C GLY A 44 -9.331 4.844 -7.152 1.00 0.00 C ATOM 704 O GLY A 44 -10.115 4.001 -6.718 1.00 0.00 O ATOM 0 H GLY A 44 -7.565 7.480 -6.594 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.830 6.244 -5.589 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.679 6.972 -7.176 1.00 0.00 H new ATOM 708 N GLN A 45 -8.514 4.651 -8.176 1.00 0.00 N ATOM 709 CA GLN A 45 -8.487 3.382 -8.885 1.00 0.00 C ATOM 710 C GLN A 45 -8.035 2.261 -7.947 1.00 0.00 C ATOM 711 O GLN A 45 -8.479 1.120 -8.080 1.00 0.00 O ATOM 712 CB GLN A 45 -7.587 3.462 -10.119 1.00 0.00 C ATOM 713 CG GLN A 45 -7.708 2.195 -10.969 1.00 0.00 C ATOM 714 CD GLN A 45 -8.922 2.274 -11.897 1.00 0.00 C ATOM 715 OE1 GLN A 45 -10.030 2.586 -11.491 1.00 0.00 O ATOM 716 NE2 GLN A 45 -8.653 1.973 -13.166 1.00 0.00 N ATOM 0 H GLN A 45 -7.865 5.352 -8.533 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.497 3.157 -9.228 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.859 4.332 -10.716 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.551 3.599 -9.810 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.802 2.061 -11.560 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.797 1.324 -10.320 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -7.704 1.720 -13.440 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.396 1.996 -13.864 1.00 0.00 H new ATOM 725 N THR A 46 -7.161 2.623 -7.022 1.00 0.00 N ATOM 726 CA THR A 46 -6.644 1.662 -6.063 1.00 0.00 C ATOM 727 C THR A 46 -7.757 1.194 -5.124 1.00 0.00 C ATOM 728 O THR A 46 -7.772 0.039 -4.699 1.00 0.00 O ATOM 729 CB THR A 46 -5.465 2.308 -5.332 1.00 0.00 C ATOM 730 OG1 THR A 46 -4.456 2.419 -6.332 1.00 0.00 O ATOM 731 CG2 THR A 46 -4.847 1.383 -4.282 1.00 0.00 C ATOM 0 H THR A 46 -6.797 3.570 -6.915 1.00 0.00 H new ATOM 0 HA THR A 46 -6.282 0.763 -6.562 1.00 0.00 H new ATOM 0 HB THR A 46 -5.797 3.229 -4.853 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.666 3.169 -6.927 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.015 1.891 -3.794 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.600 1.123 -3.538 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.485 0.475 -4.765 1.00 0.00 H new ATOM 739 N GLU A 47 -8.663 2.113 -4.829 1.00 0.00 N ATOM 740 CA GLU A 47 -9.779 1.809 -3.948 1.00 0.00 C ATOM 741 C GLU A 47 -10.750 0.846 -4.634 1.00 0.00 C ATOM 742 O GLU A 47 -11.389 0.028 -3.975 1.00 0.00 O ATOM 743 CB GLU A 47 -10.494 3.087 -3.508 1.00 0.00 C ATOM 744 CG GLU A 47 -11.445 2.809 -2.341 1.00 0.00 C ATOM 745 CD GLU A 47 -11.972 4.115 -1.742 1.00 0.00 C ATOM 746 OE1 GLU A 47 -12.328 5.040 -2.485 1.00 0.00 O ATOM 747 OE2 GLU A 47 -12.007 4.147 -0.452 1.00 0.00 O ATOM 0 H GLU A 47 -8.648 3.069 -5.184 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.388 1.324 -3.053 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.759 3.836 -3.213 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -11.053 3.502 -4.346 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.280 2.199 -2.685 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.926 2.235 -1.573 1.00 0.00 H new ATOM 755 N LYS A 48 -10.832 0.976 -5.951 1.00 0.00 N ATOM 756 CA LYS A 48 -11.713 0.129 -6.734 1.00 0.00 C ATOM 757 C LYS A 48 -11.065 -1.246 -6.916 1.00 0.00 C ATOM 758 O LYS A 48 -11.752 -2.266 -6.917 1.00 0.00 O ATOM 759 CB LYS A 48 -12.085 0.813 -8.051 1.00 0.00 C ATOM 760 CG LYS A 48 -12.877 -0.133 -8.957 1.00 0.00 C ATOM 761 CD LYS A 48 -14.154 0.536 -9.465 1.00 0.00 C ATOM 762 CE LYS A 48 -15.097 -0.490 -10.097 1.00 0.00 C ATOM 763 NZ LYS A 48 -15.565 -0.017 -11.420 1.00 0.00 N ATOM 0 H LYS A 48 -10.301 1.657 -6.495 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.654 -0.029 -6.208 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.676 1.706 -7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -11.180 1.140 -8.563 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -12.259 -0.434 -9.803 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -13.131 -1.040 -8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -14.658 1.039 -8.640 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.901 1.302 -10.198 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.584 -1.446 -10.206 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.951 -0.660 -9.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.204 -0.725 -11.836 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -16.072 0.884 -11.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -14.748 0.122 -12.048 1.00 0.00 H new ATOM 776 N TRP A 49 -9.749 -1.228 -7.067 1.00 0.00 N ATOM 777 CA TRP A 49 -9.000 -2.459 -7.250 1.00 0.00 C ATOM 778 C TRP A 49 -8.901 -3.159 -5.892 1.00 0.00 C ATOM 779 O TRP A 49 -8.795 -4.382 -5.827 1.00 0.00 O ATOM 780 CB TRP A 49 -7.632 -2.180 -7.879 1.00 0.00 C ATOM 781 CG TRP A 49 -7.703 -1.653 -9.313 1.00 0.00 C ATOM 782 CD1 TRP A 49 -8.794 -1.453 -10.065 1.00 0.00 C ATOM 783 CD2 TRP A 49 -6.588 -1.266 -10.142 1.00 0.00 C ATOM 784 NE1 TRP A 49 -8.464 -0.966 -11.314 1.00 0.00 N ATOM 785 CE2 TRP A 49 -7.080 -0.848 -11.363 1.00 0.00 C ATOM 786 CE3 TRP A 49 -5.207 -1.268 -9.871 1.00 0.00 C ATOM 787 CZ2 TRP A 49 -6.263 -0.403 -12.408 1.00 0.00 C ATOM 788 CZ3 TRP A 49 -4.404 -0.820 -10.926 1.00 0.00 C ATOM 789 CH2 TRP A 49 -4.885 -0.395 -12.160 1.00 0.00 C ATOM 0 H TRP A 49 -9.182 -0.380 -7.066 1.00 0.00 H new ATOM 0 HA TRP A 49 -9.512 -3.122 -7.947 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -7.101 -1.455 -7.262 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -7.045 -3.098 -7.869 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -9.804 -1.648 -9.736 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -9.116 -0.735 -12.063 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.799 -1.590 -8.924 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -6.673 -0.083 -13.355 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -3.335 -0.803 -10.771 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.198 -0.060 -12.924 1.00 0.00 H new ATOM 800 N ALA A 50 -8.940 -2.351 -4.842 1.00 0.00 N ATOM 801 CA ALA A 50 -8.857 -2.877 -3.491 1.00 0.00 C ATOM 802 C ALA A 50 -10.118 -3.688 -3.185 1.00 0.00 C ATOM 803 O ALA A 50 -10.168 -4.414 -2.193 1.00 0.00 O ATOM 804 CB ALA A 50 -8.651 -1.725 -2.506 1.00 0.00 C ATOM 0 H ALA A 50 -9.028 -1.336 -4.900 1.00 0.00 H new ATOM 0 HA ALA A 50 -8.003 -3.547 -3.392 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.589 -2.120 -1.492 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.727 -1.200 -2.748 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -9.490 -1.033 -2.575 1.00 0.00 H new ATOM 810 N GLN A 51 -11.105 -3.536 -4.056 1.00 0.00 N ATOM 811 CA GLN A 51 -12.363 -4.244 -3.891 1.00 0.00 C ATOM 812 C GLN A 51 -12.552 -5.259 -5.019 1.00 0.00 C ATOM 813 O GLN A 51 -13.544 -5.988 -5.044 1.00 0.00 O ATOM 814 CB GLN A 51 -13.539 -3.266 -3.830 1.00 0.00 C ATOM 815 CG GLN A 51 -13.758 -2.589 -5.183 1.00 0.00 C ATOM 816 CD GLN A 51 -15.218 -2.157 -5.351 1.00 0.00 C ATOM 817 OE1 GLN A 51 -15.752 -1.375 -4.583 1.00 0.00 O ATOM 818 NE2 GLN A 51 -15.829 -2.712 -6.394 1.00 0.00 N ATOM 0 H GLN A 51 -11.059 -2.933 -4.878 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.333 -4.784 -2.944 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.444 -3.797 -3.534 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.349 -2.510 -3.068 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.106 -1.720 -5.269 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.483 -3.274 -5.985 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.322 -3.359 -6.997 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.805 -2.490 -6.591 1.00 0.00 H new ATOM 827 N ASP A 52 -11.587 -5.275 -5.925 1.00 0.00 N ATOM 828 CA ASP A 52 -11.634 -6.189 -7.054 1.00 0.00 C ATOM 829 C ASP A 52 -11.452 -7.624 -6.552 1.00 0.00 C ATOM 830 O ASP A 52 -10.442 -7.940 -5.925 1.00 0.00 O ATOM 831 CB ASP A 52 -10.514 -5.891 -8.052 1.00 0.00 C ATOM 832 CG ASP A 52 -10.089 -7.077 -8.922 1.00 0.00 C ATOM 833 OD1 ASP A 52 -8.919 -7.486 -8.916 1.00 0.00 O ATOM 834 OD2 ASP A 52 -11.031 -7.593 -9.636 1.00 0.00 O ATOM 0 H ASP A 52 -10.767 -4.669 -5.901 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.598 -6.065 -7.547 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.835 -5.079 -8.704 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.644 -5.533 -7.502 1.00 0.00 H new ATOM 840 N ALA A 53 -12.443 -8.450 -6.847 1.00 0.00 N ATOM 841 CA ALA A 53 -12.404 -9.843 -6.432 1.00 0.00 C ATOM 842 C ALA A 53 -11.040 -10.438 -6.787 1.00 0.00 C ATOM 843 O ALA A 53 -10.385 -11.045 -5.940 1.00 0.00 O ATOM 844 CB ALA A 53 -13.560 -10.603 -7.089 1.00 0.00 C ATOM 0 H ALA A 53 -13.278 -8.183 -7.368 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.529 -9.926 -5.352 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -13.532 -11.647 -6.779 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.507 -10.159 -6.783 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.465 -10.544 -8.173 1.00 0.00 H new ATOM 850 N LYS A 54 -10.650 -10.243 -8.038 1.00 0.00 N ATOM 851 CA LYS A 54 -9.376 -10.751 -8.513 1.00 0.00 C ATOM 852 C LYS A 54 -8.275 -10.366 -7.524 1.00 0.00 C ATOM 853 O LYS A 54 -7.374 -11.157 -7.252 1.00 0.00 O ATOM 854 CB LYS A 54 -9.110 -10.278 -9.944 1.00 0.00 C ATOM 855 CG LYS A 54 -9.368 -11.401 -10.950 1.00 0.00 C ATOM 856 CD LYS A 54 -8.076 -12.152 -11.277 1.00 0.00 C ATOM 857 CE LYS A 54 -8.341 -13.302 -12.250 1.00 0.00 C ATOM 858 NZ LYS A 54 -8.247 -14.605 -11.552 1.00 0.00 N ATOM 0 H LYS A 54 -11.195 -9.739 -8.737 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.395 -11.840 -8.560 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -9.749 -9.425 -10.174 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.079 -9.936 -10.032 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -10.104 -12.095 -10.544 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.792 -10.985 -11.864 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -7.351 -11.463 -11.711 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -7.636 -12.542 -10.359 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -9.331 -13.191 -12.693 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -7.621 -13.268 -13.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -8.430 -15.375 -12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -7.294 -14.716 -11.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -8.951 -14.641 -10.788 1.00 0.00 H new ATOM 871 N PHE A 55 -8.385 -9.147 -7.012 1.00 0.00 N ATOM 872 CA PHE A 55 -7.410 -8.647 -6.057 1.00 0.00 C ATOM 873 C PHE A 55 -7.648 -9.240 -4.668 1.00 0.00 C ATOM 874 O PHE A 55 -6.715 -9.372 -3.877 1.00 0.00 O ATOM 875 CB PHE A 55 -7.590 -7.129 -5.989 1.00 0.00 C ATOM 876 CG PHE A 55 -6.344 -6.335 -6.385 1.00 0.00 C ATOM 877 CD1 PHE A 55 -5.163 -6.564 -5.749 1.00 0.00 C ATOM 878 CD2 PHE A 55 -6.416 -5.402 -7.370 1.00 0.00 C ATOM 879 CE1 PHE A 55 -4.006 -5.827 -6.116 1.00 0.00 C ATOM 880 CE2 PHE A 55 -5.259 -4.666 -7.738 1.00 0.00 C ATOM 881 CZ PHE A 55 -4.077 -4.894 -7.102 1.00 0.00 C ATOM 0 H PHE A 55 -9.133 -8.493 -7.241 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.404 -8.924 -6.372 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.414 -6.842 -6.642 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.877 -6.853 -4.974 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.106 -7.306 -4.966 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.354 -5.220 -7.873 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.069 -6.008 -5.611 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -5.317 -3.926 -8.522 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.197 -4.334 -7.381 1.00 0.00 H new ATOM 891 N SER A 56 -8.903 -9.582 -4.412 1.00 0.00 N ATOM 892 CA SER A 56 -9.276 -10.158 -3.132 1.00 0.00 C ATOM 893 C SER A 56 -8.281 -11.252 -2.740 1.00 0.00 C ATOM 894 O SER A 56 -7.921 -11.380 -1.571 1.00 0.00 O ATOM 895 CB SER A 56 -10.697 -10.724 -3.174 1.00 0.00 C ATOM 896 OG SER A 56 -11.213 -10.970 -1.869 1.00 0.00 O ATOM 0 H SER A 56 -9.674 -9.471 -5.070 1.00 0.00 H new ATOM 0 HA SER A 56 -9.251 -9.367 -2.382 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.350 -10.025 -3.696 1.00 0.00 H new ATOM 0 HB3 SER A 56 -10.701 -11.652 -3.746 1.00 0.00 H new ATOM 0 HG SER A 56 -12.122 -11.329 -1.939 1.00 0.00 H new ATOM 902 N SER A 57 -7.864 -12.013 -3.742 1.00 0.00 N ATOM 903 CA SER A 57 -6.918 -13.094 -3.517 1.00 0.00 C ATOM 904 C SER A 57 -5.850 -12.652 -2.515 1.00 0.00 C ATOM 905 O SER A 57 -5.601 -13.341 -1.525 1.00 0.00 O ATOM 906 CB SER A 57 -6.265 -13.535 -4.829 1.00 0.00 C ATOM 907 OG SER A 57 -5.693 -14.836 -4.728 1.00 0.00 O ATOM 0 H SER A 57 -8.163 -11.903 -4.711 1.00 0.00 H new ATOM 0 HA SER A 57 -7.461 -13.946 -3.108 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.009 -13.527 -5.625 1.00 0.00 H new ATOM 0 HB3 SER A 57 -5.492 -12.819 -5.108 1.00 0.00 H new ATOM 0 HG SER A 57 -5.288 -15.083 -5.585 1.00 0.00 H new ATOM 913 N ALA A 58 -5.249 -11.508 -2.803 1.00 0.00 N ATOM 914 CA ALA A 58 -4.213 -10.967 -1.939 1.00 0.00 C ATOM 915 C ALA A 58 -4.721 -9.681 -1.285 1.00 0.00 C ATOM 916 O ALA A 58 -5.731 -9.122 -1.709 1.00 0.00 O ATOM 917 CB ALA A 58 -2.936 -10.743 -2.751 1.00 0.00 C ATOM 0 H ALA A 58 -5.459 -10.940 -3.623 1.00 0.00 H new ATOM 0 HA ALA A 58 -3.973 -11.670 -1.141 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.159 -10.337 -2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.600 -11.692 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.138 -10.040 -3.560 1.00 0.00 H new ATOM 923 N ASN A 59 -3.998 -9.250 -0.260 1.00 0.00 N ATOM 924 CA ASN A 59 -4.364 -8.041 0.457 1.00 0.00 C ATOM 925 C ASN A 59 -3.698 -6.836 -0.211 1.00 0.00 C ATOM 926 O ASN A 59 -2.478 -6.799 -0.357 1.00 0.00 O ATOM 927 CB ASN A 59 -3.888 -8.097 1.909 1.00 0.00 C ATOM 928 CG ASN A 59 -3.995 -9.518 2.466 1.00 0.00 C ATOM 929 OD1 ASN A 59 -3.125 -9.786 3.435 1.00 0.00 O flip ATOM 930 ND2 ASN A 59 -4.815 -10.318 2.046 1.00 0.00 N flip ATOM 0 H ASN A 59 -3.161 -9.717 0.090 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.450 -7.952 0.436 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.855 -7.755 1.970 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.485 -7.418 2.518 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -5.455 -10.048 1.299 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -4.861 -11.257 2.442 1.00 0.00 H new ATOM 937 N LEU A 60 -4.531 -5.882 -0.601 1.00 0.00 N ATOM 938 CA LEU A 60 -4.038 -4.679 -1.252 1.00 0.00 C ATOM 939 C LEU A 60 -4.203 -3.489 -0.305 1.00 0.00 C ATOM 940 O LEU A 60 -5.292 -3.248 0.213 1.00 0.00 O ATOM 941 CB LEU A 60 -4.721 -4.484 -2.607 1.00 0.00 C ATOM 942 CG LEU A 60 -4.379 -3.192 -3.352 1.00 0.00 C ATOM 943 CD1 LEU A 60 -4.973 -3.198 -4.760 1.00 0.00 C ATOM 944 CD2 LEU A 60 -4.818 -1.966 -2.549 1.00 0.00 C ATOM 0 H LEU A 60 -5.543 -5.917 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 60 -2.974 -4.772 -1.468 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.462 -5.328 -3.247 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.800 -4.518 -2.456 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.296 -3.135 -3.461 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.715 -2.269 -5.268 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.571 -4.042 -5.321 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -6.057 -3.288 -4.697 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.564 -1.060 -3.100 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.896 -2.003 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.308 -1.960 -1.586 1.00 0.00 H new ATOM 956 N ILE A 61 -3.103 -2.776 -0.105 1.00 0.00 N ATOM 957 CA ILE A 61 -3.112 -1.617 0.770 1.00 0.00 C ATOM 958 C ILE A 61 -2.013 -0.645 0.335 1.00 0.00 C ATOM 959 O ILE A 61 -1.094 -1.025 -0.392 1.00 0.00 O ATOM 960 CB ILE A 61 -3.003 -2.051 2.234 1.00 0.00 C ATOM 961 CG1 ILE A 61 -1.595 -2.557 2.552 1.00 0.00 C ATOM 962 CG2 ILE A 61 -4.076 -3.084 2.581 1.00 0.00 C ATOM 963 CD1 ILE A 61 -1.006 -1.818 3.756 1.00 0.00 C ATOM 0 H ILE A 61 -2.200 -2.979 -0.534 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.060 -1.085 0.687 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.181 -1.179 2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.627 -3.627 2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.950 -2.418 1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -3.976 -3.375 3.627 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.063 -2.652 2.417 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -3.954 -3.962 1.947 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.005 -2.197 3.961 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.953 -0.751 3.538 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.640 -1.979 4.628 1.00 0.00 H new ATOM 975 N THR A 62 -2.142 0.591 0.795 1.00 0.00 N ATOM 976 CA THR A 62 -1.172 1.620 0.462 1.00 0.00 C ATOM 977 C THR A 62 -0.427 2.077 1.717 1.00 0.00 C ATOM 978 O THR A 62 -0.984 2.062 2.814 1.00 0.00 O ATOM 979 CB THR A 62 -1.912 2.752 -0.253 1.00 0.00 C ATOM 980 OG1 THR A 62 -2.722 3.334 0.764 1.00 0.00 O ATOM 981 CG2 THR A 62 -2.919 2.237 -1.282 1.00 0.00 C ATOM 0 H THR A 62 -2.905 0.903 1.396 1.00 0.00 H new ATOM 0 HA THR A 62 -0.404 1.238 -0.211 1.00 0.00 H new ATOM 0 HB THR A 62 -1.189 3.401 -0.747 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.623 2.951 0.723 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.416 3.082 -1.759 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.399 1.648 -2.037 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.662 1.614 -0.784 1.00 0.00 H new ATOM 989 N VAL A 63 0.821 2.472 1.514 1.00 0.00 N ATOM 990 CA VAL A 63 1.649 2.932 2.616 1.00 0.00 C ATOM 991 C VAL A 63 2.143 4.350 2.319 1.00 0.00 C ATOM 992 O VAL A 63 2.408 4.689 1.167 1.00 0.00 O ATOM 993 CB VAL A 63 2.788 1.942 2.865 1.00 0.00 C ATOM 994 CG1 VAL A 63 4.022 2.655 3.420 1.00 0.00 C ATOM 995 CG2 VAL A 63 2.340 0.814 3.796 1.00 0.00 C ATOM 0 H VAL A 63 1.279 2.483 0.603 1.00 0.00 H new ATOM 0 HA VAL A 63 1.068 2.976 3.537 1.00 0.00 H new ATOM 0 HB VAL A 63 3.061 1.497 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.817 1.929 3.588 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.361 3.405 2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.769 3.140 4.363 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.168 0.124 3.957 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.027 1.234 4.752 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.505 0.279 3.344 1.00 0.00 H new ATOM 1005 N ALA A 64 2.250 5.138 3.378 1.00 0.00 N ATOM 1006 CA ALA A 64 2.707 6.512 3.246 1.00 0.00 C ATOM 1007 C ALA A 64 3.740 6.808 4.335 1.00 0.00 C ATOM 1008 O ALA A 64 3.670 6.252 5.430 1.00 0.00 O ATOM 1009 CB ALA A 64 1.507 7.458 3.308 1.00 0.00 C ATOM 0 H ALA A 64 2.028 4.852 4.332 1.00 0.00 H new ATOM 0 HA ALA A 64 3.192 6.664 2.282 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.850 8.488 3.209 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.818 7.225 2.496 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.996 7.336 4.263 1.00 0.00 H new ATOM 1015 N SER A 65 4.676 7.683 3.996 1.00 0.00 N ATOM 1016 CA SER A 65 5.722 8.059 4.932 1.00 0.00 C ATOM 1017 C SER A 65 5.721 9.577 5.133 1.00 0.00 C ATOM 1018 O SER A 65 6.106 10.325 4.236 1.00 0.00 O ATOM 1019 CB SER A 65 7.093 7.589 4.444 1.00 0.00 C ATOM 1020 OG SER A 65 7.126 6.183 4.221 1.00 0.00 O ATOM 0 H SER A 65 4.732 8.142 3.087 1.00 0.00 H new ATOM 0 HA SER A 65 5.520 7.571 5.886 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.347 8.109 3.520 1.00 0.00 H new ATOM 0 HB3 SER A 65 7.851 7.857 5.179 1.00 0.00 H new ATOM 0 HG SER A 65 7.873 5.964 3.625 1.00 0.00 H new ATOM 1026 N PRO A 66 5.274 9.995 6.347 1.00 0.00 N ATOM 1027 CA PRO A 66 5.220 11.409 6.678 1.00 0.00 C ATOM 1028 C PRO A 66 6.619 11.959 6.964 1.00 0.00 C ATOM 1029 O PRO A 66 7.411 11.323 7.657 1.00 0.00 O ATOM 1030 CB PRO A 66 4.290 11.496 7.878 1.00 0.00 C ATOM 1031 CG PRO A 66 4.228 10.095 8.460 1.00 0.00 C ATOM 1032 CD PRO A 66 4.811 9.137 7.434 1.00 0.00 C ATOM 0 HA PRO A 66 4.847 12.020 5.856 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.666 12.208 8.613 1.00 0.00 H new ATOM 0 HB3 PRO A 66 3.299 11.839 7.580 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.790 10.044 9.392 1.00 0.00 H new ATOM 0 HG3 PRO A 66 3.198 9.824 8.693 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.631 8.555 7.856 1.00 0.00 H new ATOM 0 HD3 PRO A 66 4.062 8.426 7.086 1.00 0.00 H new ATOM 1040 N GLY A 67 6.879 13.138 6.416 1.00 0.00 N ATOM 1041 CA GLY A 67 8.168 13.782 6.604 1.00 0.00 C ATOM 1042 C GLY A 67 9.260 13.066 5.805 1.00 0.00 C ATOM 1043 O GLY A 67 10.429 13.439 5.874 1.00 0.00 O ATOM 0 H GLY A 67 6.219 13.663 5.842 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.107 14.824 6.291 1.00 0.00 H new ATOM 0 HA3 GLY A 67 8.428 13.782 7.663 1.00 0.00 H new ATOM 1047 N PHE A 68 8.838 12.051 5.066 1.00 0.00 N ATOM 1048 CA PHE A 68 9.765 11.280 4.254 1.00 0.00 C ATOM 1049 C PHE A 68 9.459 11.445 2.764 1.00 0.00 C ATOM 1050 O PHE A 68 8.326 11.228 2.333 1.00 0.00 O ATOM 1051 CB PHE A 68 9.583 9.811 4.642 1.00 0.00 C ATOM 1052 CG PHE A 68 10.684 8.888 4.116 1.00 0.00 C ATOM 1053 CD1 PHE A 68 11.990 9.170 4.374 1.00 0.00 C ATOM 1054 CD2 PHE A 68 10.357 7.787 3.389 1.00 0.00 C ATOM 1055 CE1 PHE A 68 13.012 8.313 3.885 1.00 0.00 C ATOM 1056 CE2 PHE A 68 11.379 6.929 2.900 1.00 0.00 C ATOM 1057 CZ PHE A 68 12.684 7.210 3.158 1.00 0.00 C ATOM 0 H PHE A 68 7.867 11.744 5.012 1.00 0.00 H new ATOM 0 HA PHE A 68 10.785 11.623 4.426 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.547 9.735 5.729 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.621 9.463 4.266 1.00 0.00 H new ATOM 0 HD1 PHE A 68 12.250 10.046 4.951 1.00 0.00 H new ATOM 0 HD2 PHE A 68 9.321 7.564 3.183 1.00 0.00 H new ATOM 0 HE1 PHE A 68 14.049 8.536 4.090 1.00 0.00 H new ATOM 0 HE2 PHE A 68 11.119 6.054 2.323 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.460 6.558 2.786 1.00 0.00 H new ATOM 1067 N LEU A 69 10.484 11.825 2.020 1.00 0.00 N ATOM 1068 CA LEU A 69 10.339 12.020 0.588 1.00 0.00 C ATOM 1069 C LEU A 69 9.610 13.340 0.328 1.00 0.00 C ATOM 1070 O LEU A 69 8.939 13.492 -0.691 1.00 0.00 O ATOM 1071 CB LEU A 69 9.662 10.807 -0.052 1.00 0.00 C ATOM 1072 CG LEU A 69 10.510 10.013 -1.049 1.00 0.00 C ATOM 1073 CD1 LEU A 69 11.808 9.529 -0.398 1.00 0.00 C ATOM 1074 CD2 LEU A 69 9.708 8.860 -1.655 1.00 0.00 C ATOM 0 H LEU A 69 11.421 12.004 2.382 1.00 0.00 H new ATOM 0 HA LEU A 69 11.317 12.097 0.113 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.344 10.132 0.743 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.760 11.146 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 69 10.787 10.677 -1.868 1.00 0.00 H new ATOM 0 HD11 LEU A 69 12.393 8.968 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 69 12.385 10.388 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.572 8.887 0.450 1.00 0.00 H new ATOM 0 HD21 LEU A 69 10.334 8.312 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 69 9.381 8.188 -0.862 1.00 0.00 H new ATOM 0 HD23 LEU A 69 8.837 9.257 -2.176 1.00 0.00 H new ATOM 1086 N HIS A 70 9.766 14.260 1.269 1.00 0.00 N ATOM 1087 CA HIS A 70 9.130 15.561 1.156 1.00 0.00 C ATOM 1088 C HIS A 70 7.610 15.396 1.204 1.00 0.00 C ATOM 1089 O HIS A 70 6.872 16.252 0.718 1.00 0.00 O ATOM 1090 CB HIS A 70 9.607 16.291 -0.100 1.00 0.00 C ATOM 1091 CG HIS A 70 10.042 17.717 0.145 1.00 0.00 C ATOM 1092 ND1 HIS A 70 10.237 18.629 -0.879 1.00 0.00 N ATOM 1093 CD2 HIS A 70 10.317 18.377 1.306 1.00 0.00 C ATOM 1094 CE1 HIS A 70 10.612 19.782 -0.344 1.00 0.00 C ATOM 1095 NE2 HIS A 70 10.662 19.624 1.009 1.00 0.00 N ATOM 0 H HIS A 70 10.324 14.130 2.113 1.00 0.00 H new ATOM 0 HA HIS A 70 9.419 16.185 2.001 1.00 0.00 H new ATOM 0 HB2 HIS A 70 10.439 15.738 -0.535 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.803 16.289 -0.836 1.00 0.00 H new ATOM 0 HD2 HIS A 70 10.263 17.956 2.299 1.00 0.00 H new ATOM 0 HE1 HIS A 70 10.838 20.689 -0.885 1.00 0.00 H new ATOM 0 HE2 HIS A 70 10.922 20.345 1.682 1.00 0.00 H new ATOM 1104 N GLU A 71 7.185 14.288 1.793 1.00 0.00 N ATOM 1105 CA GLU A 71 5.766 13.998 1.910 1.00 0.00 C ATOM 1106 C GLU A 71 5.195 14.645 3.175 1.00 0.00 C ATOM 1107 O GLU A 71 5.873 14.719 4.199 1.00 0.00 O ATOM 1108 CB GLU A 71 5.511 12.490 1.904 1.00 0.00 C ATOM 1109 CG GLU A 71 4.425 12.121 0.892 1.00 0.00 C ATOM 1110 CD GLU A 71 3.222 13.058 1.013 1.00 0.00 C ATOM 1111 OE1 GLU A 71 3.167 14.090 0.328 1.00 0.00 O ATOM 1112 OE2 GLU A 71 2.321 12.682 1.856 1.00 0.00 O ATOM 0 H GLU A 71 7.799 13.580 2.195 1.00 0.00 H new ATOM 0 HA GLU A 71 5.256 14.422 1.045 1.00 0.00 H new ATOM 0 HB2 GLU A 71 6.434 11.963 1.661 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.211 12.165 2.900 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.831 12.173 -0.118 1.00 0.00 H new ATOM 0 HG3 GLU A 71 4.106 11.091 1.054 1.00 0.00 H new ATOM 1120 N LYS A 72 3.956 15.098 3.061 1.00 0.00 N ATOM 1121 CA LYS A 72 3.287 15.737 4.181 1.00 0.00 C ATOM 1122 C LYS A 72 3.653 15.004 5.474 1.00 0.00 C ATOM 1123 O LYS A 72 3.779 13.780 5.483 1.00 0.00 O ATOM 1124 CB LYS A 72 1.780 15.821 3.929 1.00 0.00 C ATOM 1125 CG LYS A 72 1.431 17.061 3.103 1.00 0.00 C ATOM 1126 CD LYS A 72 1.252 18.286 4.000 1.00 0.00 C ATOM 1127 CE LYS A 72 1.527 19.578 3.229 1.00 0.00 C ATOM 1128 NZ LYS A 72 0.267 20.132 2.682 1.00 0.00 N ATOM 0 H LYS A 72 3.397 15.035 2.210 1.00 0.00 H new ATOM 0 HA LYS A 72 3.627 16.767 4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.444 14.925 3.406 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.250 15.852 4.881 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.220 17.251 2.375 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.515 16.881 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 72 0.237 18.305 4.397 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.927 18.217 4.853 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.997 20.309 3.887 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.228 19.382 2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.471 21.009 2.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.166 19.440 2.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -0.390 20.337 3.462 1.00 0.00 H new ATOM 1141 N LYS A 73 3.812 15.782 6.533 1.00 0.00 N ATOM 1142 CA LYS A 73 4.161 15.223 7.828 1.00 0.00 C ATOM 1143 C LYS A 73 2.912 14.618 8.472 1.00 0.00 C ATOM 1144 O LYS A 73 1.793 14.878 8.027 1.00 0.00 O ATOM 1145 CB LYS A 73 4.853 16.273 8.698 1.00 0.00 C ATOM 1146 CG LYS A 73 6.110 15.701 9.354 1.00 0.00 C ATOM 1147 CD LYS A 73 6.129 15.998 10.855 1.00 0.00 C ATOM 1148 CE LYS A 73 7.473 16.597 11.279 1.00 0.00 C ATOM 1149 NZ LYS A 73 7.413 18.076 11.246 1.00 0.00 N ATOM 0 H LYS A 73 3.706 16.796 6.521 1.00 0.00 H new ATOM 0 HA LYS A 73 4.883 14.415 7.710 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.118 17.137 8.089 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.165 16.624 9.467 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.151 14.624 9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.996 16.128 8.884 1.00 0.00 H new ATOM 0 HD2 LYS A 73 5.324 16.690 11.103 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.943 15.080 11.413 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.728 16.259 12.284 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.261 16.244 10.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.332 18.467 11.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.191 18.393 10.281 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 6.674 18.408 11.898 1.00 0.00 H new ATOM 1162 N ASP A 74 3.142 13.826 9.508 1.00 0.00 N ATOM 1163 CA ASP A 74 2.049 13.182 10.216 1.00 0.00 C ATOM 1164 C ASP A 74 1.026 14.240 10.635 1.00 0.00 C ATOM 1165 O ASP A 74 1.371 15.411 10.797 1.00 0.00 O ATOM 1166 CB ASP A 74 2.548 12.480 11.480 1.00 0.00 C ATOM 1167 CG ASP A 74 1.644 11.361 11.998 1.00 0.00 C ATOM 1168 OD1 ASP A 74 1.402 10.363 11.304 1.00 0.00 O ATOM 1169 OD2 ASP A 74 1.175 11.545 13.185 1.00 0.00 O ATOM 0 H ASP A 74 4.070 13.615 9.875 1.00 0.00 H new ATOM 0 HA ASP A 74 1.602 12.446 9.548 1.00 0.00 H new ATOM 0 HB2 ASP A 74 3.536 12.065 11.281 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.667 13.224 12.268 1.00 0.00 H new ATOM 1175 N GLY A 75 -0.209 13.792 10.802 1.00 0.00 N ATOM 1176 CA GLY A 75 -1.283 14.685 11.200 1.00 0.00 C ATOM 1177 C GLY A 75 -1.775 15.514 10.013 1.00 0.00 C ATOM 1178 O GLY A 75 -2.972 15.553 9.730 1.00 0.00 O ATOM 0 H GLY A 75 -0.490 12.821 10.669 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.110 14.105 11.611 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -0.935 15.348 11.992 1.00 0.00 H new ATOM 1182 N ASP A 76 -0.826 16.158 9.347 1.00 0.00 N ATOM 1183 CA ASP A 76 -1.149 16.984 8.196 1.00 0.00 C ATOM 1184 C ASP A 76 -1.732 16.105 7.090 1.00 0.00 C ATOM 1185 O ASP A 76 -2.819 16.378 6.582 1.00 0.00 O ATOM 1186 CB ASP A 76 0.103 17.670 7.645 1.00 0.00 C ATOM 1187 CG ASP A 76 0.285 19.127 8.075 1.00 0.00 C ATOM 1188 OD1 ASP A 76 0.518 19.420 9.257 1.00 0.00 O ATOM 1189 OD2 ASP A 76 0.175 19.994 7.125 1.00 0.00 O ATOM 0 H ASP A 76 0.166 16.124 9.583 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.866 17.741 8.513 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.978 17.102 7.960 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.072 17.630 6.556 1.00 0.00 H new ATOM 1195 N PHE A 77 -0.986 15.065 6.748 1.00 0.00 N ATOM 1196 CA PHE A 77 -1.415 14.143 5.710 1.00 0.00 C ATOM 1197 C PHE A 77 -2.778 13.534 6.048 1.00 0.00 C ATOM 1198 O PHE A 77 -3.558 13.217 5.153 1.00 0.00 O ATOM 1199 CB PHE A 77 -0.372 13.025 5.645 1.00 0.00 C ATOM 1200 CG PHE A 77 -0.693 11.933 4.622 1.00 0.00 C ATOM 1201 CD1 PHE A 77 -1.533 10.917 4.953 1.00 0.00 C ATOM 1202 CD2 PHE A 77 -0.138 11.981 3.381 1.00 0.00 C ATOM 1203 CE1 PHE A 77 -1.831 9.904 4.003 1.00 0.00 C ATOM 1204 CE2 PHE A 77 -0.436 10.968 2.431 1.00 0.00 C ATOM 1205 CZ PHE A 77 -1.277 9.951 2.762 1.00 0.00 C ATOM 0 H PHE A 77 -0.086 14.840 7.172 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.507 14.669 4.760 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.598 13.460 5.404 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.281 12.569 6.631 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.974 10.880 5.938 1.00 0.00 H new ATOM 0 HD2 PHE A 77 0.529 12.789 3.118 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -2.498 9.096 4.266 1.00 0.00 H new ATOM 0 HE2 PHE A 77 0.005 11.005 1.446 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.505 9.181 2.039 1.00 0.00 H new ATOM 1215 N GLN A 78 -3.020 13.388 7.342 1.00 0.00 N ATOM 1216 CA GLN A 78 -4.274 12.823 7.810 1.00 0.00 C ATOM 1217 C GLN A 78 -5.444 13.722 7.407 1.00 0.00 C ATOM 1218 O GLN A 78 -6.505 13.232 7.021 1.00 0.00 O ATOM 1219 CB GLN A 78 -4.247 12.603 9.324 1.00 0.00 C ATOM 1220 CG GLN A 78 -2.870 12.119 9.783 1.00 0.00 C ATOM 1221 CD GLN A 78 -2.946 11.485 11.173 1.00 0.00 C ATOM 1222 OE1 GLN A 78 -2.235 11.855 12.093 1.00 0.00 O ATOM 1223 NE2 GLN A 78 -3.848 10.513 11.275 1.00 0.00 N ATOM 0 H GLN A 78 -2.369 13.651 8.081 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.409 11.850 7.338 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.499 13.532 9.835 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.005 11.871 9.602 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.479 11.393 9.070 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.173 12.957 9.799 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.411 10.252 10.465 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -3.977 10.028 12.163 1.00 0.00 H new ATOM 1232 N LYS A 79 -5.212 15.022 7.511 1.00 0.00 N ATOM 1233 CA LYS A 79 -6.234 15.994 7.162 1.00 0.00 C ATOM 1234 C LYS A 79 -6.474 15.957 5.651 1.00 0.00 C ATOM 1235 O LYS A 79 -7.616 16.031 5.199 1.00 0.00 O ATOM 1236 CB LYS A 79 -5.858 17.381 7.691 1.00 0.00 C ATOM 1237 CG LYS A 79 -6.658 17.723 8.950 1.00 0.00 C ATOM 1238 CD LYS A 79 -6.077 17.015 10.176 1.00 0.00 C ATOM 1239 CE LYS A 79 -7.164 16.748 11.220 1.00 0.00 C ATOM 1240 NZ LYS A 79 -7.500 17.992 11.949 1.00 0.00 N ATOM 0 H LYS A 79 -4.332 15.425 7.832 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.179 15.740 7.641 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -4.791 17.412 7.914 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.045 18.131 6.922 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -6.649 18.801 9.110 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -7.699 17.429 8.815 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -5.619 16.073 9.874 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -5.289 17.627 10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -8.055 16.353 10.733 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -6.822 15.988 11.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.239 17.793 12.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.651 18.352 12.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.846 18.706 11.276 1.00 0.00 H new ATOM 1253 N TRP A 80 -5.380 15.843 4.913 1.00 0.00 N ATOM 1254 CA TRP A 80 -5.456 15.795 3.464 1.00 0.00 C ATOM 1255 C TRP A 80 -6.351 14.614 3.076 1.00 0.00 C ATOM 1256 O TRP A 80 -7.255 14.759 2.255 1.00 0.00 O ATOM 1257 CB TRP A 80 -4.061 15.716 2.843 1.00 0.00 C ATOM 1258 CG TRP A 80 -4.044 15.902 1.324 1.00 0.00 C ATOM 1259 CD1 TRP A 80 -4.894 15.394 0.421 1.00 0.00 C ATOM 1260 CD2 TRP A 80 -3.091 16.674 0.563 1.00 0.00 C ATOM 1261 NE1 TRP A 80 -4.559 15.781 -0.862 1.00 0.00 N ATOM 1262 CE2 TRP A 80 -3.428 16.584 -0.771 1.00 0.00 C ATOM 1263 CE3 TRP A 80 -1.980 17.423 0.989 1.00 0.00 C ATOM 1264 CZ2 TRP A 80 -2.706 17.218 -1.790 1.00 0.00 C ATOM 1265 CZ3 TRP A 80 -1.269 18.050 -0.041 1.00 0.00 C ATOM 1266 CH2 TRP A 80 -1.596 17.970 -1.389 1.00 0.00 C ATOM 0 H TRP A 80 -4.435 15.782 5.292 1.00 0.00 H new ATOM 0 HA TRP A 80 -5.897 16.711 3.071 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.428 16.477 3.299 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.621 14.749 3.085 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -5.735 14.762 0.666 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.051 15.525 -1.718 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -1.698 17.508 2.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -2.990 17.131 -2.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.405 18.638 0.232 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -0.996 18.486 -2.124 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.022 3.773 2.479 1.00 0.00 N ATOM 1384 CA LYS A 88 -13.071 2.414 1.969 1.00 0.00 C ATOM 1385 C LYS A 88 -11.753 2.093 1.258 1.00 0.00 C ATOM 1386 O LYS A 88 -11.635 1.063 0.598 1.00 0.00 O ATOM 1387 CB LYS A 88 -14.307 2.216 1.089 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.478 1.665 1.906 1.00 0.00 C ATOM 1389 CD LYS A 88 -15.581 0.146 1.761 1.00 0.00 C ATOM 1390 CE LYS A 88 -15.565 -0.537 3.131 1.00 0.00 C ATOM 1391 NZ LYS A 88 -15.272 -1.982 2.985 1.00 0.00 N ATOM 0 HA LYS A 88 -13.174 1.703 2.789 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.590 3.165 0.635 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.072 1.530 0.275 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -15.348 1.926 2.956 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -16.407 2.129 1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.499 -0.111 1.233 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -14.752 -0.223 1.157 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -14.814 -0.070 3.768 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -16.529 -0.403 3.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.265 -2.431 3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -16.003 -2.427 2.394 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -14.342 -2.104 2.535 1.00 0.00 H new ATOM 1404 N LEU A 89 -10.798 2.996 1.418 1.00 0.00 N ATOM 1405 CA LEU A 89 -9.494 2.823 0.802 1.00 0.00 C ATOM 1406 C LEU A 89 -8.444 2.598 1.891 1.00 0.00 C ATOM 1407 O LEU A 89 -8.371 3.359 2.854 1.00 0.00 O ATOM 1408 CB LEU A 89 -9.178 4.000 -0.123 1.00 0.00 C ATOM 1409 CG LEU A 89 -7.695 4.253 -0.406 1.00 0.00 C ATOM 1410 CD1 LEU A 89 -7.177 3.314 -1.497 1.00 0.00 C ATOM 1411 CD2 LEU A 89 -7.444 5.723 -0.747 1.00 0.00 C ATOM 0 H LEU A 89 -10.901 3.850 1.966 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.488 1.937 0.167 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.686 3.836 -1.073 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.603 4.904 0.314 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.132 4.033 0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -6.121 3.515 -1.679 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.300 2.280 -1.175 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.741 3.478 -2.416 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.383 5.875 -0.944 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.019 5.995 -1.632 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -7.751 6.348 0.091 1.00 0.00 H new ATOM 1423 N PRO A 90 -7.637 1.521 1.698 1.00 0.00 N ATOM 1424 CA PRO A 90 -6.594 1.186 2.653 1.00 0.00 C ATOM 1425 C PRO A 90 -5.407 2.142 2.527 1.00 0.00 C ATOM 1426 O PRO A 90 -4.876 2.338 1.433 1.00 0.00 O ATOM 1427 CB PRO A 90 -6.228 -0.257 2.348 1.00 0.00 C ATOM 1428 CG PRO A 90 -6.743 -0.528 0.944 1.00 0.00 C ATOM 1429 CD PRO A 90 -7.694 0.597 0.570 1.00 0.00 C ATOM 0 HA PRO A 90 -6.923 1.289 3.687 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.150 -0.407 2.405 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.683 -0.936 3.069 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.915 -0.578 0.237 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.255 -1.489 0.904 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.387 1.083 -0.356 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.706 0.224 0.414 1.00 0.00 H new ATOM 1437 N VAL A 91 -5.024 2.714 3.659 1.00 0.00 N ATOM 1438 CA VAL A 91 -3.909 3.646 3.689 1.00 0.00 C ATOM 1439 C VAL A 91 -3.161 3.495 5.014 1.00 0.00 C ATOM 1440 O VAL A 91 -3.724 3.735 6.082 1.00 0.00 O ATOM 1441 CB VAL A 91 -4.411 5.070 3.444 1.00 0.00 C ATOM 1442 CG1 VAL A 91 -3.305 6.093 3.709 1.00 0.00 C ATOM 1443 CG2 VAL A 91 -4.969 5.219 2.026 1.00 0.00 C ATOM 0 H VAL A 91 -5.466 2.550 4.563 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.202 3.423 2.889 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.223 5.265 4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -3.687 7.097 3.528 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -2.975 6.012 4.745 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.463 5.900 3.044 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.319 6.241 1.878 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.186 4.995 1.301 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -5.800 4.527 1.887 1.00 0.00 H new ATOM 1453 N VAL A 92 -1.900 3.099 4.904 1.00 0.00 N ATOM 1454 CA VAL A 92 -1.067 2.915 6.080 1.00 0.00 C ATOM 1455 C VAL A 92 -0.027 4.034 6.145 1.00 0.00 C ATOM 1456 O VAL A 92 0.566 4.395 5.128 1.00 0.00 O ATOM 1457 CB VAL A 92 -0.444 1.518 6.066 1.00 0.00 C ATOM 1458 CG1 VAL A 92 0.459 1.309 7.283 1.00 0.00 C ATOM 1459 CG2 VAL A 92 -1.523 0.436 5.989 1.00 0.00 C ATOM 0 H VAL A 92 -1.436 2.901 4.018 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.668 2.979 6.987 1.00 0.00 H new ATOM 0 HB VAL A 92 0.175 1.436 5.172 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.889 0.308 7.249 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.259 2.049 7.273 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.128 1.421 8.195 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.052 -0.547 5.980 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.181 0.516 6.854 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.106 0.567 5.077 1.00 0.00 H new ATOM 1469 N THR A 93 0.164 4.553 7.348 1.00 0.00 N ATOM 1470 CA THR A 93 1.123 5.624 7.558 1.00 0.00 C ATOM 1471 C THR A 93 2.195 5.193 8.562 1.00 0.00 C ATOM 1472 O THR A 93 1.882 4.876 9.709 1.00 0.00 O ATOM 1473 CB THR A 93 0.351 6.872 7.992 1.00 0.00 C ATOM 1474 OG1 THR A 93 -0.565 6.391 8.972 1.00 0.00 O ATOM 1475 CG2 THR A 93 -0.545 7.422 6.882 1.00 0.00 C ATOM 0 H THR A 93 -0.329 4.252 8.188 1.00 0.00 H new ATOM 0 HA THR A 93 1.660 5.859 6.639 1.00 0.00 H new ATOM 0 HB THR A 93 1.055 7.643 8.305 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.088 5.828 9.617 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.070 8.307 7.243 1.00 0.00 H new ATOM 0 HG22 THR A 93 0.066 7.689 6.020 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.271 6.663 6.591 1.00 0.00 H new ATOM 1483 N ASP A 94 3.433 5.193 8.093 1.00 0.00 N ATOM 1484 CA ASP A 94 4.552 4.805 8.936 1.00 0.00 C ATOM 1485 C ASP A 94 5.471 6.010 9.141 1.00 0.00 C ATOM 1486 O ASP A 94 6.128 6.463 8.204 1.00 0.00 O ATOM 1487 CB ASP A 94 5.373 3.691 8.283 1.00 0.00 C ATOM 1488 CG ASP A 94 6.497 3.123 9.151 1.00 0.00 C ATOM 1489 OD1 ASP A 94 6.934 3.755 10.124 1.00 0.00 O ATOM 1490 OD2 ASP A 94 6.933 1.964 8.788 1.00 0.00 O ATOM 0 H ASP A 94 3.687 5.455 7.141 1.00 0.00 H new ATOM 0 HA ASP A 94 4.152 4.449 9.885 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.701 2.878 8.008 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.806 4.073 7.359 1.00 0.00 H new ATOM 1496 N ASN A 95 5.491 6.497 10.374 1.00 0.00 N ATOM 1497 CA ASN A 95 6.320 7.639 10.715 1.00 0.00 C ATOM 1498 C ASN A 95 7.774 7.336 10.355 1.00 0.00 C ATOM 1499 O ASN A 95 8.386 6.439 10.935 1.00 0.00 O ATOM 1500 CB ASN A 95 6.256 7.940 12.214 1.00 0.00 C ATOM 1501 CG ASN A 95 7.179 9.103 12.580 1.00 0.00 C ATOM 1502 OD1 ASN A 95 8.370 8.940 12.791 1.00 0.00 O ATOM 1503 ND2 ASN A 95 6.566 10.281 12.643 1.00 0.00 N ATOM 0 H ASN A 95 4.945 6.120 11.149 1.00 0.00 H new ATOM 0 HA ASN A 95 5.950 8.500 10.159 1.00 0.00 H new ATOM 0 HB2 ASN A 95 5.231 8.182 12.496 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.542 7.053 12.779 1.00 0.00 H new ATOM 0 HD21 ASN A 95 7.096 11.120 12.880 1.00 0.00 H new ATOM 0 HD22 ASN A 95 5.566 10.346 12.454 1.00 0.00 H new ATOM 1510 N GLY A 96 8.287 8.098 9.401 1.00 0.00 N ATOM 1511 CA GLY A 96 9.660 7.920 8.957 1.00 0.00 C ATOM 1512 C GLY A 96 9.750 6.855 7.863 1.00 0.00 C ATOM 1513 O GLY A 96 10.738 6.793 7.133 1.00 0.00 O ATOM 0 H GLY A 96 7.777 8.841 8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 96 10.050 8.866 8.581 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.285 7.631 9.802 1.00 0.00 H new ATOM 1517 N GLY A 97 8.704 6.047 7.783 1.00 0.00 N ATOM 1518 CA GLY A 97 8.651 4.987 6.788 1.00 0.00 C ATOM 1519 C GLY A 97 9.722 3.929 7.058 1.00 0.00 C ATOM 1520 O GLY A 97 10.652 3.765 6.270 1.00 0.00 O ATOM 0 H GLY A 97 7.886 6.104 8.390 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.665 4.523 6.798 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.794 5.409 5.793 1.00 0.00 H new ATOM 1524 N THR A 98 9.557 3.236 8.176 1.00 0.00 N ATOM 1525 CA THR A 98 10.498 2.197 8.559 1.00 0.00 C ATOM 1526 C THR A 98 10.592 1.132 7.464 1.00 0.00 C ATOM 1527 O THR A 98 11.688 0.758 7.049 1.00 0.00 O ATOM 1528 CB THR A 98 10.058 1.639 9.914 1.00 0.00 C ATOM 1529 OG1 THR A 98 10.651 2.522 10.862 1.00 0.00 O ATOM 1530 CG2 THR A 98 10.695 0.282 10.222 1.00 0.00 C ATOM 0 H THR A 98 8.785 3.374 8.829 1.00 0.00 H new ATOM 0 HA THR A 98 11.507 2.596 8.667 1.00 0.00 H new ATOM 0 HB THR A 98 8.972 1.544 9.932 1.00 0.00 H new ATOM 0 HG1 THR A 98 10.415 2.235 11.769 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.350 -0.070 11.194 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.409 -0.437 9.454 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.780 0.384 10.237 1.00 0.00 H new ATOM 1538 N ILE A 99 9.428 0.674 7.027 1.00 0.00 N ATOM 1539 CA ILE A 99 9.366 -0.341 5.989 1.00 0.00 C ATOM 1540 C ILE A 99 9.915 0.237 4.683 1.00 0.00 C ATOM 1541 O ILE A 99 10.731 -0.394 4.016 1.00 0.00 O ATOM 1542 CB ILE A 99 7.945 -0.897 5.867 1.00 0.00 C ATOM 1543 CG1 ILE A 99 7.444 -1.421 7.215 1.00 0.00 C ATOM 1544 CG2 ILE A 99 7.864 -1.960 4.771 1.00 0.00 C ATOM 1545 CD1 ILE A 99 5.963 -1.090 7.416 1.00 0.00 C ATOM 0 H ILE A 99 8.521 0.987 7.373 1.00 0.00 H new ATOM 0 HA ILE A 99 9.995 -1.192 6.250 1.00 0.00 H new ATOM 0 HB ILE A 99 7.283 -0.082 5.573 1.00 0.00 H new ATOM 0 HG12 ILE A 99 7.589 -2.500 7.267 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.031 -0.981 8.021 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.844 -2.338 4.706 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.150 -1.520 3.816 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.541 -2.781 5.009 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.632 -1.473 8.381 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.825 -0.009 7.388 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.376 -1.551 6.622 1.00 0.00 H new ATOM 1557 N ALA A 100 9.443 1.433 4.358 1.00 0.00 N ATOM 1558 CA ALA A 100 9.875 2.104 3.145 1.00 0.00 C ATOM 1559 C ALA A 100 11.392 2.303 3.191 1.00 0.00 C ATOM 1560 O ALA A 100 12.071 2.168 2.173 1.00 0.00 O ATOM 1561 CB ALA A 100 9.118 3.425 2.993 1.00 0.00 C ATOM 0 H ALA A 100 8.765 1.954 4.915 1.00 0.00 H new ATOM 0 HA ALA A 100 9.648 1.497 2.269 1.00 0.00 H new ATOM 0 HB1 ALA A 100 9.443 3.928 2.082 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.048 3.227 2.936 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.323 4.063 3.853 1.00 0.00 H new ATOM 1567 N GLN A 101 11.879 2.619 4.380 1.00 0.00 N ATOM 1568 CA GLN A 101 13.303 2.839 4.572 1.00 0.00 C ATOM 1569 C GLN A 101 14.041 1.501 4.639 1.00 0.00 C ATOM 1570 O GLN A 101 15.165 1.383 4.152 1.00 0.00 O ATOM 1571 CB GLN A 101 13.565 3.674 5.828 1.00 0.00 C ATOM 1572 CG GLN A 101 13.542 5.169 5.508 1.00 0.00 C ATOM 1573 CD GLN A 101 14.244 5.976 6.603 1.00 0.00 C ATOM 1574 OE1 GLN A 101 13.959 5.847 7.783 1.00 0.00 O ATOM 1575 NE2 GLN A 101 15.172 6.812 6.150 1.00 0.00 N ATOM 0 H GLN A 101 11.313 2.728 5.222 1.00 0.00 H new ATOM 0 HA GLN A 101 13.683 3.400 3.718 1.00 0.00 H new ATOM 0 HB2 GLN A 101 12.811 3.449 6.582 1.00 0.00 H new ATOM 0 HB3 GLN A 101 14.532 3.404 6.253 1.00 0.00 H new ATOM 0 HG2 GLN A 101 14.031 5.347 4.550 1.00 0.00 H new ATOM 0 HG3 GLN A 101 12.511 5.507 5.407 1.00 0.00 H new ATOM 0 HE21 GLN A 101 15.361 6.871 5.149 1.00 0.00 H new ATOM 0 HE22 GLN A 101 15.696 7.395 6.803 1.00 0.00 H new ATOM 1584 N SER A 102 13.381 0.527 5.247 1.00 0.00 N ATOM 1585 CA SER A 102 13.961 -0.799 5.385 1.00 0.00 C ATOM 1586 C SER A 102 14.142 -1.436 4.004 1.00 0.00 C ATOM 1587 O SER A 102 15.063 -2.225 3.797 1.00 0.00 O ATOM 1588 CB SER A 102 13.092 -1.692 6.271 1.00 0.00 C ATOM 1589 OG SER A 102 13.781 -2.870 6.680 1.00 0.00 O ATOM 0 H SER A 102 12.450 0.629 5.650 1.00 0.00 H new ATOM 0 HA SER A 102 14.935 -0.698 5.864 1.00 0.00 H new ATOM 0 HB2 SER A 102 12.777 -1.132 7.152 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.188 -1.970 5.729 1.00 0.00 H new ATOM 0 HG SER A 102 13.193 -3.413 7.245 1.00 0.00 H new ATOM 1595 N LEU A 103 13.249 -1.068 3.097 1.00 0.00 N ATOM 1596 CA LEU A 103 13.299 -1.594 1.744 1.00 0.00 C ATOM 1597 C LEU A 103 14.016 -0.591 0.837 1.00 0.00 C ATOM 1598 O LEU A 103 14.092 -0.787 -0.375 1.00 0.00 O ATOM 1599 CB LEU A 103 11.896 -1.966 1.261 1.00 0.00 C ATOM 1600 CG LEU A 103 11.296 -3.239 1.859 1.00 0.00 C ATOM 1601 CD1 LEU A 103 9.785 -3.297 1.622 1.00 0.00 C ATOM 1602 CD2 LEU A 103 12.008 -4.484 1.326 1.00 0.00 C ATOM 0 H LEU A 103 12.487 -0.413 3.273 1.00 0.00 H new ATOM 0 HA LEU A 103 13.876 -2.518 1.716 1.00 0.00 H new ATOM 0 HB2 LEU A 103 11.226 -1.135 1.480 1.00 0.00 H new ATOM 0 HB3 LEU A 103 11.924 -2.076 0.177 1.00 0.00 H new ATOM 0 HG LEU A 103 11.452 -3.216 2.938 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.383 -4.212 2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.310 -2.434 2.089 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.584 -3.286 0.551 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.562 -5.375 1.767 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.905 -4.526 0.242 1.00 0.00 H new ATOM 0 HD23 LEU A 103 13.065 -4.439 1.589 1.00 0.00 H new ATOM 1614 N ASN A 104 14.524 0.462 1.459 1.00 0.00 N ATOM 1615 CA ASN A 104 15.233 1.496 0.725 1.00 0.00 C ATOM 1616 C ASN A 104 14.349 1.999 -0.420 1.00 0.00 C ATOM 1617 O ASN A 104 14.809 2.128 -1.553 1.00 0.00 O ATOM 1618 CB ASN A 104 16.527 0.953 0.118 1.00 0.00 C ATOM 1619 CG ASN A 104 17.271 2.044 -0.656 1.00 0.00 C ATOM 1620 OD1 ASN A 104 17.514 1.939 -1.847 1.00 0.00 O ATOM 1621 ND2 ASN A 104 17.616 3.093 0.084 1.00 0.00 N ATOM 0 H ASN A 104 14.459 0.622 2.464 1.00 0.00 H new ATOM 0 HA ASN A 104 15.471 2.300 1.421 1.00 0.00 H new ATOM 0 HB2 ASN A 104 17.168 0.562 0.909 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.299 0.121 -0.548 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.115 3.874 -0.341 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.381 3.116 1.076 1.00 0.00 H new ATOM 1628 N ILE A 105 13.096 2.268 -0.083 1.00 0.00 N ATOM 1629 CA ILE A 105 12.145 2.752 -1.068 1.00 0.00 C ATOM 1630 C ILE A 105 12.119 4.282 -1.036 1.00 0.00 C ATOM 1631 O ILE A 105 11.677 4.879 -0.056 1.00 0.00 O ATOM 1632 CB ILE A 105 10.774 2.109 -0.850 1.00 0.00 C ATOM 1633 CG1 ILE A 105 10.910 0.615 -0.552 1.00 0.00 C ATOM 1634 CG2 ILE A 105 9.848 2.374 -2.041 1.00 0.00 C ATOM 1635 CD1 ILE A 105 9.539 -0.026 -0.328 1.00 0.00 C ATOM 0 H ILE A 105 12.718 2.160 0.858 1.00 0.00 H new ATOM 0 HA ILE A 105 12.453 2.459 -2.072 1.00 0.00 H new ATOM 0 HB ILE A 105 10.315 2.571 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 105 11.416 0.120 -1.381 1.00 0.00 H new ATOM 0 HG13 ILE A 105 11.531 0.472 0.332 1.00 0.00 H new ATOM 0 HG21 ILE A 105 8.880 1.906 -1.861 1.00 0.00 H new ATOM 0 HG22 ILE A 105 9.714 3.449 -2.166 1.00 0.00 H new ATOM 0 HG23 ILE A 105 10.290 1.956 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE A 105 9.664 -1.088 -0.118 1.00 0.00 H new ATOM 0 HD12 ILE A 105 9.046 0.455 0.517 1.00 0.00 H new ATOM 0 HD13 ILE A 105 8.929 0.098 -1.223 1.00 0.00 H new ATOM 1647 N SER A 106 12.598 4.873 -2.121 1.00 0.00 N ATOM 1648 CA SER A 106 12.636 6.321 -2.231 1.00 0.00 C ATOM 1649 C SER A 106 12.104 6.757 -3.597 1.00 0.00 C ATOM 1650 O SER A 106 12.564 7.752 -4.157 1.00 0.00 O ATOM 1651 CB SER A 106 14.055 6.853 -2.017 1.00 0.00 C ATOM 1652 OG SER A 106 15.017 6.122 -2.772 1.00 0.00 O ATOM 0 H SER A 106 12.963 4.374 -2.932 1.00 0.00 H new ATOM 0 HA SER A 106 12.000 6.740 -1.451 1.00 0.00 H new ATOM 0 HB2 SER A 106 14.095 7.905 -2.300 1.00 0.00 H new ATOM 0 HB3 SER A 106 14.307 6.798 -0.958 1.00 0.00 H new ATOM 0 HG SER A 106 15.910 6.492 -2.610 1.00 0.00 H new ATOM 1658 N VAL A 107 11.145 5.992 -4.096 1.00 0.00 N ATOM 1659 CA VAL A 107 10.547 6.286 -5.386 1.00 0.00 C ATOM 1660 C VAL A 107 9.081 5.848 -5.376 1.00 0.00 C ATOM 1661 O VAL A 107 8.765 4.736 -4.953 1.00 0.00 O ATOM 1662 CB VAL A 107 11.360 5.627 -6.502 1.00 0.00 C ATOM 1663 CG1 VAL A 107 11.696 4.178 -6.153 1.00 0.00 C ATOM 1664 CG2 VAL A 107 10.623 5.713 -7.841 1.00 0.00 C ATOM 0 H VAL A 107 10.767 5.168 -3.629 1.00 0.00 H new ATOM 0 HA VAL A 107 10.564 7.359 -5.579 1.00 0.00 H new ATOM 0 HB VAL A 107 12.298 6.173 -6.600 1.00 0.00 H new ATOM 0 HG11 VAL A 107 12.274 3.733 -6.963 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.280 4.151 -5.233 1.00 0.00 H new ATOM 0 HG13 VAL A 107 10.774 3.614 -6.013 1.00 0.00 H new ATOM 0 HG21 VAL A 107 11.222 5.237 -8.617 1.00 0.00 H new ATOM 0 HG22 VAL A 107 9.663 5.204 -7.761 1.00 0.00 H new ATOM 0 HG23 VAL A 107 10.459 6.759 -8.099 1.00 0.00 H new ATOM 1674 N TYR A 108 8.225 6.743 -5.846 1.00 0.00 N ATOM 1675 CA TYR A 108 6.801 6.463 -5.897 1.00 0.00 C ATOM 1676 C TYR A 108 6.227 6.780 -7.280 1.00 0.00 C ATOM 1677 O TYR A 108 6.756 7.632 -7.994 1.00 0.00 O ATOM 1678 CB TYR A 108 6.151 7.387 -4.865 1.00 0.00 C ATOM 1679 CG TYR A 108 6.622 7.143 -3.429 1.00 0.00 C ATOM 1680 CD1 TYR A 108 7.002 5.877 -3.034 1.00 0.00 C ATOM 1681 CD2 TYR A 108 6.665 8.190 -2.531 1.00 0.00 C ATOM 1682 CE1 TYR A 108 7.445 5.649 -1.681 1.00 0.00 C ATOM 1683 CE2 TYR A 108 7.107 7.961 -1.179 1.00 0.00 C ATOM 1684 CZ TYR A 108 7.476 6.702 -0.822 1.00 0.00 C ATOM 1685 OH TYR A 108 7.893 6.484 0.454 1.00 0.00 O ATOM 0 H TYR A 108 8.491 7.664 -6.195 1.00 0.00 H new ATOM 0 HA TYR A 108 6.611 5.409 -5.693 1.00 0.00 H new ATOM 0 HB2 TYR A 108 6.362 8.422 -5.135 1.00 0.00 H new ATOM 0 HB3 TYR A 108 5.069 7.260 -4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 108 6.968 5.058 -3.737 1.00 0.00 H new ATOM 0 HD2 TYR A 108 6.367 9.181 -2.842 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.746 4.663 -1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 108 7.144 8.771 -0.465 1.00 0.00 H new ATOM 0 HH TYR A 108 7.865 7.325 0.956 1.00 0.00 H new ATOM 1695 N PRO A 109 5.126 6.061 -7.626 1.00 0.00 N ATOM 1696 CA PRO A 109 4.565 5.072 -6.720 1.00 0.00 C ATOM 1697 C PRO A 109 5.425 3.806 -6.690 1.00 0.00 C ATOM 1698 O PRO A 109 6.225 3.574 -7.593 1.00 0.00 O ATOM 1699 CB PRO A 109 3.157 4.820 -7.237 1.00 0.00 C ATOM 1700 CG PRO A 109 3.144 5.323 -8.672 1.00 0.00 C ATOM 1701 CD PRO A 109 4.390 6.169 -8.881 1.00 0.00 C ATOM 0 HA PRO A 109 4.541 5.415 -5.686 1.00 0.00 H new ATOM 0 HB2 PRO A 109 2.908 3.760 -7.192 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.419 5.346 -6.632 1.00 0.00 H new ATOM 0 HG2 PRO A 109 3.130 4.486 -9.370 1.00 0.00 H new ATOM 0 HG3 PRO A 109 2.247 5.912 -8.862 1.00 0.00 H new ATOM 0 HD2 PRO A 109 4.982 5.802 -9.720 1.00 0.00 H new ATOM 0 HD3 PRO A 109 4.133 7.205 -9.101 1.00 0.00 H new ATOM 1709 N SER A 110 5.229 3.022 -5.640 1.00 0.00 N ATOM 1710 CA SER A 110 5.977 1.787 -5.479 1.00 0.00 C ATOM 1711 C SER A 110 5.042 0.665 -5.022 1.00 0.00 C ATOM 1712 O SER A 110 3.931 0.926 -4.564 1.00 0.00 O ATOM 1713 CB SER A 110 7.122 1.961 -4.479 1.00 0.00 C ATOM 1714 OG SER A 110 8.378 2.130 -5.131 1.00 0.00 O ATOM 0 H SER A 110 4.563 3.218 -4.893 1.00 0.00 H new ATOM 0 HA SER A 110 6.410 1.523 -6.444 1.00 0.00 H new ATOM 0 HB2 SER A 110 6.923 2.826 -3.846 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.167 1.091 -3.824 1.00 0.00 H new ATOM 0 HG SER A 110 8.798 2.960 -4.822 1.00 0.00 H new ATOM 1720 N TRP A 111 5.525 -0.561 -5.165 1.00 0.00 N ATOM 1721 CA TRP A 111 4.748 -1.723 -4.773 1.00 0.00 C ATOM 1722 C TRP A 111 5.670 -2.677 -4.011 1.00 0.00 C ATOM 1723 O TRP A 111 6.838 -2.830 -4.367 1.00 0.00 O ATOM 1724 CB TRP A 111 4.086 -2.374 -5.989 1.00 0.00 C ATOM 1725 CG TRP A 111 3.008 -1.512 -6.648 1.00 0.00 C ATOM 1726 CD1 TRP A 111 3.173 -0.518 -7.531 1.00 0.00 C ATOM 1727 CD2 TRP A 111 1.585 -1.609 -6.441 1.00 0.00 C ATOM 1728 NE1 TRP A 111 1.965 0.032 -7.907 1.00 0.00 N ATOM 1729 CE2 TRP A 111 0.967 -0.652 -7.223 1.00 0.00 C ATOM 1730 CE3 TRP A 111 0.840 -2.475 -5.621 1.00 0.00 C ATOM 1731 CZ2 TRP A 111 -0.420 -0.472 -7.260 1.00 0.00 C ATOM 1732 CZ3 TRP A 111 -0.546 -2.282 -5.670 1.00 0.00 C ATOM 1733 CH2 TRP A 111 -1.181 -1.324 -6.451 1.00 0.00 C ATOM 0 H TRP A 111 6.446 -0.774 -5.548 1.00 0.00 H new ATOM 0 HA TRP A 111 3.929 -1.434 -4.115 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.854 -2.604 -6.728 1.00 0.00 H new ATOM 0 HB3 TRP A 111 3.642 -3.322 -5.684 1.00 0.00 H new ATOM 0 HD1 TRP A 111 4.132 -0.188 -7.902 1.00 0.00 H new ATOM 0 HE1 TRP A 111 1.829 0.799 -8.565 1.00 0.00 H new ATOM 0 HE3 TRP A 111 1.301 -3.230 -5.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -0.879 0.284 -7.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -1.164 -2.922 -5.058 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -2.257 -1.237 -6.434 1.00 0.00 H new ATOM 1744 N ALA A 112 5.113 -3.291 -2.979 1.00 0.00 N ATOM 1745 CA ALA A 112 5.871 -4.223 -2.164 1.00 0.00 C ATOM 1746 C ALA A 112 5.054 -5.502 -1.966 1.00 0.00 C ATOM 1747 O ALA A 112 3.845 -5.441 -1.743 1.00 0.00 O ATOM 1748 CB ALA A 112 6.246 -3.559 -0.839 1.00 0.00 C ATOM 0 H ALA A 112 4.144 -3.161 -2.688 1.00 0.00 H new ATOM 0 HA ALA A 112 6.800 -4.499 -2.662 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.815 -4.260 -0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.851 -2.674 -1.034 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.339 -3.269 -0.308 1.00 0.00 H new ATOM 1754 N LEU A 113 5.745 -6.629 -2.053 1.00 0.00 N ATOM 1755 CA LEU A 113 5.098 -7.919 -1.884 1.00 0.00 C ATOM 1756 C LEU A 113 5.534 -8.533 -0.552 1.00 0.00 C ATOM 1757 O LEU A 113 6.723 -8.574 -0.243 1.00 0.00 O ATOM 1758 CB LEU A 113 5.369 -8.817 -3.093 1.00 0.00 C ATOM 1759 CG LEU A 113 4.657 -10.170 -3.097 1.00 0.00 C ATOM 1760 CD1 LEU A 113 3.176 -10.008 -3.443 1.00 0.00 C ATOM 1761 CD2 LEU A 113 5.359 -11.156 -4.032 1.00 0.00 C ATOM 0 H LEU A 113 6.747 -6.676 -2.238 1.00 0.00 H new ATOM 0 HA LEU A 113 4.015 -7.799 -1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.082 -8.275 -3.994 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.443 -8.994 -3.156 1.00 0.00 H new ATOM 0 HG LEU A 113 4.710 -10.587 -2.091 1.00 0.00 H new ATOM 0 HD11 LEU A 113 2.692 -10.985 -3.439 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.698 -9.364 -2.705 1.00 0.00 H new ATOM 0 HD13 LEU A 113 3.080 -9.560 -4.432 1.00 0.00 H new ATOM 0 HD21 LEU A 113 4.832 -12.110 -4.016 1.00 0.00 H new ATOM 0 HD22 LEU A 113 5.359 -10.758 -5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 113 6.387 -11.303 -3.700 1.00 0.00 H new ATOM 1773 N ILE A 114 4.545 -8.995 0.200 1.00 0.00 N ATOM 1774 CA ILE A 114 4.812 -9.605 1.492 1.00 0.00 C ATOM 1775 C ILE A 114 4.267 -11.035 1.498 1.00 0.00 C ATOM 1776 O ILE A 114 3.091 -11.256 1.211 1.00 0.00 O ATOM 1777 CB ILE A 114 4.261 -8.731 2.622 1.00 0.00 C ATOM 1778 CG1 ILE A 114 4.970 -7.377 2.662 1.00 0.00 C ATOM 1779 CG2 ILE A 114 4.337 -9.460 3.965 1.00 0.00 C ATOM 1780 CD1 ILE A 114 6.481 -7.554 2.829 1.00 0.00 C ATOM 0 H ILE A 114 3.559 -8.959 -0.060 1.00 0.00 H new ATOM 0 HA ILE A 114 5.886 -9.672 1.667 1.00 0.00 H new ATOM 0 HB ILE A 114 3.207 -8.536 2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.764 -6.827 1.744 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.577 -6.781 3.485 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.940 -8.818 4.751 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.750 -10.377 3.915 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.375 -9.705 4.188 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.961 -6.576 2.854 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.685 -8.083 3.760 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.875 -8.130 1.991 1.00 0.00 H new ATOM 1792 N GLY A 115 5.147 -11.968 1.829 1.00 0.00 N ATOM 1793 CA GLY A 115 4.768 -13.371 1.875 1.00 0.00 C ATOM 1794 C GLY A 115 3.568 -13.584 2.801 1.00 0.00 C ATOM 1795 O GLY A 115 3.182 -12.680 3.541 1.00 0.00 O ATOM 0 H GLY A 115 6.121 -11.781 2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.524 -13.719 0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.611 -13.968 2.223 1.00 0.00 H new ATOM 1799 N LYS A 116 3.013 -14.785 2.731 1.00 0.00 N ATOM 1800 CA LYS A 116 1.866 -15.128 3.553 1.00 0.00 C ATOM 1801 C LYS A 116 2.300 -15.208 5.018 1.00 0.00 C ATOM 1802 O LYS A 116 1.460 -15.266 5.915 1.00 0.00 O ATOM 1803 CB LYS A 116 1.200 -16.404 3.038 1.00 0.00 C ATOM 1804 CG LYS A 116 1.993 -17.645 3.457 1.00 0.00 C ATOM 1805 CD LYS A 116 2.323 -18.520 2.247 1.00 0.00 C ATOM 1806 CE LYS A 116 3.353 -19.593 2.611 1.00 0.00 C ATOM 1807 NZ LYS A 116 4.296 -19.805 1.491 1.00 0.00 N ATOM 0 H LYS A 116 3.337 -15.533 2.117 1.00 0.00 H new ATOM 0 HA LYS A 116 1.104 -14.351 3.488 1.00 0.00 H new ATOM 0 HB2 LYS A 116 0.183 -16.470 3.426 1.00 0.00 H new ATOM 0 HB3 LYS A 116 1.125 -16.366 1.951 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.915 -17.341 3.953 1.00 0.00 H new ATOM 0 HG3 LYS A 116 1.417 -18.222 4.181 1.00 0.00 H new ATOM 0 HD2 LYS A 116 1.414 -18.994 1.878 1.00 0.00 H new ATOM 0 HD3 LYS A 116 2.710 -17.899 1.439 1.00 0.00 H new ATOM 0 HE2 LYS A 116 3.901 -19.292 3.504 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.845 -20.528 2.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 4.988 -20.536 1.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 3.770 -20.113 0.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 4.793 -18.916 1.283 1.00 0.00 H new ATOM 1820 N ASP A 117 3.609 -15.210 5.215 1.00 0.00 N ATOM 1821 CA ASP A 117 4.166 -15.284 6.555 1.00 0.00 C ATOM 1822 C ASP A 117 4.317 -13.869 7.117 1.00 0.00 C ATOM 1823 O ASP A 117 4.431 -13.687 8.328 1.00 0.00 O ATOM 1824 CB ASP A 117 5.549 -15.937 6.544 1.00 0.00 C ATOM 1825 CG ASP A 117 5.554 -17.439 6.835 1.00 0.00 C ATOM 1826 OD1 ASP A 117 5.535 -18.269 5.913 1.00 0.00 O ATOM 1827 OD2 ASP A 117 5.582 -17.753 8.086 1.00 0.00 O ATOM 0 H ASP A 117 4.302 -15.161 4.468 1.00 0.00 H new ATOM 0 HA ASP A 117 3.491 -15.882 7.167 1.00 0.00 H new ATOM 0 HB2 ASP A 117 6.006 -15.769 5.569 1.00 0.00 H new ATOM 0 HB3 ASP A 117 6.177 -15.437 7.281 1.00 0.00 H new ATOM 1833 N GLY A 118 4.314 -12.902 6.211 1.00 0.00 N ATOM 1834 CA GLY A 118 4.449 -11.509 6.601 1.00 0.00 C ATOM 1835 C GLY A 118 5.886 -11.021 6.401 1.00 0.00 C ATOM 1836 O GLY A 118 6.316 -10.066 7.046 1.00 0.00 O ATOM 0 H GLY A 118 4.220 -13.056 5.207 1.00 0.00 H new ATOM 0 HA2 GLY A 118 3.767 -10.895 6.012 1.00 0.00 H new ATOM 0 HA3 GLY A 118 4.163 -11.391 7.646 1.00 0.00 H new ATOM 1840 N ASP A 119 6.588 -11.700 5.504 1.00 0.00 N ATOM 1841 CA ASP A 119 7.968 -11.348 5.211 1.00 0.00 C ATOM 1842 C ASP A 119 8.054 -10.785 3.792 1.00 0.00 C ATOM 1843 O ASP A 119 7.221 -11.099 2.943 1.00 0.00 O ATOM 1844 CB ASP A 119 8.877 -12.573 5.291 1.00 0.00 C ATOM 1845 CG ASP A 119 8.928 -13.426 4.022 1.00 0.00 C ATOM 1846 OD1 ASP A 119 9.779 -13.217 3.146 1.00 0.00 O ATOM 1847 OD2 ASP A 119 8.031 -14.351 3.951 1.00 0.00 O ATOM 0 H ASP A 119 6.227 -12.491 4.971 1.00 0.00 H new ATOM 0 HA ASP A 119 8.293 -10.611 5.946 1.00 0.00 H new ATOM 0 HB2 ASP A 119 9.888 -12.241 5.528 1.00 0.00 H new ATOM 0 HB3 ASP A 119 8.545 -13.200 6.119 1.00 0.00 H new ATOM 1853 N VAL A 120 9.071 -9.964 3.576 1.00 0.00 N ATOM 1854 CA VAL A 120 9.279 -9.356 2.272 1.00 0.00 C ATOM 1855 C VAL A 120 9.435 -10.454 1.221 1.00 0.00 C ATOM 1856 O VAL A 120 10.414 -11.198 1.234 1.00 0.00 O ATOM 1857 CB VAL A 120 10.474 -8.403 2.324 1.00 0.00 C ATOM 1858 CG1 VAL A 120 10.952 -8.045 0.914 1.00 0.00 C ATOM 1859 CG2 VAL A 120 10.139 -7.143 3.126 1.00 0.00 C ATOM 0 H VAL A 120 9.760 -9.705 4.282 1.00 0.00 H new ATOM 0 HA VAL A 120 8.414 -8.756 1.988 1.00 0.00 H new ATOM 0 HB VAL A 120 11.289 -8.917 2.834 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.802 -7.366 0.979 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.252 -8.953 0.390 1.00 0.00 H new ATOM 0 HG13 VAL A 120 10.143 -7.561 0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 120 11.007 -6.483 3.147 1.00 0.00 H new ATOM 0 HG22 VAL A 120 9.301 -6.626 2.658 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.870 -7.421 4.145 1.00 0.00 H new ATOM 1869 N GLN A 121 8.454 -10.522 0.331 1.00 0.00 N ATOM 1870 CA GLN A 121 8.470 -11.519 -0.726 1.00 0.00 C ATOM 1871 C GLN A 121 9.219 -10.984 -1.948 1.00 0.00 C ATOM 1872 O GLN A 121 10.166 -11.609 -2.422 1.00 0.00 O ATOM 1873 CB GLN A 121 7.048 -11.945 -1.099 1.00 0.00 C ATOM 1874 CG GLN A 121 7.053 -13.287 -1.835 1.00 0.00 C ATOM 1875 CD GLN A 121 7.723 -14.372 -0.990 1.00 0.00 C ATOM 1876 OE1 GLN A 121 8.936 -14.493 -0.933 1.00 0.00 O ATOM 1877 NE2 GLN A 121 6.867 -15.155 -0.339 1.00 0.00 N ATOM 0 H GLN A 121 7.644 -9.903 0.321 1.00 0.00 H new ATOM 0 HA GLN A 121 8.995 -12.401 -0.359 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.440 -12.023 -0.198 1.00 0.00 H new ATOM 0 HB3 GLN A 121 6.589 -11.183 -1.729 1.00 0.00 H new ATOM 0 HG2 GLN A 121 6.030 -13.582 -2.068 1.00 0.00 H new ATOM 0 HG3 GLN A 121 7.579 -13.184 -2.784 1.00 0.00 H new ATOM 0 HE21 GLN A 121 5.863 -15.000 -0.430 1.00 0.00 H new ATOM 0 HE22 GLN A 121 7.215 -15.911 0.251 1.00 0.00 H new ATOM 1886 N ARG A 122 8.768 -9.832 -2.421 1.00 0.00 N ATOM 1887 CA ARG A 122 9.384 -9.205 -3.578 1.00 0.00 C ATOM 1888 C ARG A 122 9.159 -7.692 -3.547 1.00 0.00 C ATOM 1889 O ARG A 122 8.237 -7.213 -2.889 1.00 0.00 O ATOM 1890 CB ARG A 122 8.816 -9.772 -4.880 1.00 0.00 C ATOM 1891 CG ARG A 122 9.921 -9.984 -5.917 1.00 0.00 C ATOM 1892 CD ARG A 122 9.549 -11.099 -6.896 1.00 0.00 C ATOM 1893 NE ARG A 122 10.094 -10.797 -8.238 1.00 0.00 N ATOM 1894 CZ ARG A 122 11.327 -11.157 -8.652 1.00 0.00 C ATOM 1895 NH1 ARG A 122 12.154 -11.837 -7.831 1.00 0.00 N ATOM 1896 NH2 ARG A 122 11.712 -10.835 -9.874 1.00 0.00 N ATOM 0 H ARG A 122 7.983 -9.316 -2.024 1.00 0.00 H new ATOM 0 HA ARG A 122 10.453 -9.417 -3.539 1.00 0.00 H new ATOM 0 HB2 ARG A 122 8.315 -10.719 -4.680 1.00 0.00 H new ATOM 0 HB3 ARG A 122 8.064 -9.091 -5.279 1.00 0.00 H new ATOM 0 HG2 ARG A 122 10.093 -9.057 -6.464 1.00 0.00 H new ATOM 0 HG3 ARG A 122 10.854 -10.235 -5.413 1.00 0.00 H new ATOM 0 HD2 ARG A 122 9.942 -12.052 -6.541 1.00 0.00 H new ATOM 0 HD3 ARG A 122 8.465 -11.201 -6.949 1.00 0.00 H new ATOM 0 HE ARG A 122 9.501 -10.285 -8.891 1.00 0.00 H new ATOM 0 HH11 ARG A 122 11.849 -12.083 -6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 122 13.084 -12.105 -8.152 1.00 0.00 H new ATOM 0 HH21 ARG A 122 11.081 -10.322 -10.489 1.00 0.00 H new ATOM 0 HH22 ARG A 122 12.641 -11.100 -10.202 1.00 0.00 H new ATOM 1909 N ILE A 123 10.017 -6.982 -4.265 1.00 0.00 N ATOM 1910 CA ILE A 123 9.922 -5.535 -4.328 1.00 0.00 C ATOM 1911 C ILE A 123 9.714 -5.103 -5.781 1.00 0.00 C ATOM 1912 O ILE A 123 10.339 -5.647 -6.689 1.00 0.00 O ATOM 1913 CB ILE A 123 11.141 -4.889 -3.663 1.00 0.00 C ATOM 1914 CG1 ILE A 123 10.935 -3.383 -3.489 1.00 0.00 C ATOM 1915 CG2 ILE A 123 12.421 -5.209 -4.438 1.00 0.00 C ATOM 1916 CD1 ILE A 123 11.555 -2.894 -2.180 1.00 0.00 C ATOM 0 H ILE A 123 10.781 -7.383 -4.808 1.00 0.00 H new ATOM 0 HA ILE A 123 9.057 -5.186 -3.765 1.00 0.00 H new ATOM 0 HB ILE A 123 11.254 -5.315 -2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 123 11.383 -2.851 -4.329 1.00 0.00 H new ATOM 0 HG13 ILE A 123 9.869 -3.154 -3.499 1.00 0.00 H new ATOM 0 HG21 ILE A 123 13.272 -4.739 -3.945 1.00 0.00 H new ATOM 0 HG22 ILE A 123 12.569 -6.289 -4.466 1.00 0.00 H new ATOM 0 HG23 ILE A 123 12.335 -4.828 -5.456 1.00 0.00 H new ATOM 0 HD11 ILE A 123 11.395 -1.820 -2.080 1.00 0.00 H new ATOM 0 HD12 ILE A 123 11.088 -3.410 -1.341 1.00 0.00 H new ATOM 0 HD13 ILE A 123 12.625 -3.102 -2.184 1.00 0.00 H new ATOM 1928 N VAL A 124 8.832 -4.131 -5.955 1.00 0.00 N ATOM 1929 CA VAL A 124 8.532 -3.619 -7.282 1.00 0.00 C ATOM 1930 C VAL A 124 8.603 -2.092 -7.264 1.00 0.00 C ATOM 1931 O VAL A 124 8.135 -1.456 -6.320 1.00 0.00 O ATOM 1932 CB VAL A 124 7.177 -4.151 -7.753 1.00 0.00 C ATOM 1933 CG1 VAL A 124 6.732 -3.453 -9.042 1.00 0.00 C ATOM 1934 CG2 VAL A 124 7.216 -5.669 -7.938 1.00 0.00 C ATOM 0 H VAL A 124 8.314 -3.683 -5.199 1.00 0.00 H new ATOM 0 HA VAL A 124 9.271 -3.968 -8.003 1.00 0.00 H new ATOM 0 HB VAL A 124 6.443 -3.927 -6.979 1.00 0.00 H new ATOM 0 HG11 VAL A 124 5.766 -3.849 -9.356 1.00 0.00 H new ATOM 0 HG12 VAL A 124 6.644 -2.381 -8.864 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.469 -3.631 -9.825 1.00 0.00 H new ATOM 0 HG21 VAL A 124 6.240 -6.020 -8.273 1.00 0.00 H new ATOM 0 HG22 VAL A 124 7.969 -5.926 -8.683 1.00 0.00 H new ATOM 0 HG23 VAL A 124 7.467 -6.145 -6.990 1.00 0.00 H new ATOM 1944 N LYS A 125 9.191 -1.546 -8.317 1.00 0.00 N ATOM 1945 CA LYS A 125 9.329 -0.105 -8.435 1.00 0.00 C ATOM 1946 C LYS A 125 8.644 0.367 -9.719 1.00 0.00 C ATOM 1947 O LYS A 125 9.009 -0.058 -10.813 1.00 0.00 O ATOM 1948 CB LYS A 125 10.801 0.303 -8.339 1.00 0.00 C ATOM 1949 CG LYS A 125 11.383 -0.064 -6.972 1.00 0.00 C ATOM 1950 CD LYS A 125 12.796 0.499 -6.809 1.00 0.00 C ATOM 1951 CE LYS A 125 13.750 -0.564 -6.261 1.00 0.00 C ATOM 1952 NZ LYS A 125 15.084 0.022 -5.996 1.00 0.00 N ATOM 0 H LYS A 125 9.578 -2.076 -9.098 1.00 0.00 H new ATOM 0 HA LYS A 125 8.829 0.393 -7.605 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.371 -0.191 -9.126 1.00 0.00 H new ATOM 0 HB3 LYS A 125 10.896 1.376 -8.503 1.00 0.00 H new ATOM 0 HG2 LYS A 125 10.740 0.324 -6.183 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.405 -1.148 -6.861 1.00 0.00 H new ATOM 0 HD2 LYS A 125 13.161 0.859 -7.771 1.00 0.00 H new ATOM 0 HD3 LYS A 125 12.775 1.356 -6.135 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.343 -0.987 -5.342 1.00 0.00 H new ATOM 0 HE3 LYS A 125 13.841 -1.382 -6.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 15.719 -0.713 -5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 15.477 0.404 -6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 14.994 0.787 -5.297 1.00 0.00 H new ATOM 1965 N GLY A 126 7.661 1.238 -9.542 1.00 0.00 N ATOM 1966 CA GLY A 126 6.922 1.771 -10.673 1.00 0.00 C ATOM 1967 C GLY A 126 5.415 1.581 -10.480 1.00 0.00 C ATOM 1968 O GLY A 126 4.964 1.229 -9.392 1.00 0.00 O ATOM 0 H GLY A 126 7.360 1.587 -8.632 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.147 2.831 -10.792 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.241 1.273 -11.588 1.00 0.00 H new ATOM 1972 N SER A 127 4.678 1.826 -11.554 1.00 0.00 N ATOM 1973 CA SER A 127 3.232 1.687 -11.518 1.00 0.00 C ATOM 1974 C SER A 127 2.802 0.477 -12.353 1.00 0.00 C ATOM 1975 O SER A 127 3.508 0.073 -13.275 1.00 0.00 O ATOM 1976 CB SER A 127 2.544 2.955 -12.025 1.00 0.00 C ATOM 1977 OG SER A 127 3.287 4.129 -11.707 1.00 0.00 O ATOM 0 H SER A 127 5.056 2.120 -12.455 1.00 0.00 H new ATOM 0 HA SER A 127 2.928 1.532 -10.483 1.00 0.00 H new ATOM 0 HB2 SER A 127 2.414 2.890 -13.105 1.00 0.00 H new ATOM 0 HB3 SER A 127 1.548 3.027 -11.588 1.00 0.00 H new ATOM 0 HG SER A 127 2.672 4.843 -11.438 1.00 0.00 H new ATOM 1983 N ILE A 128 1.645 -0.063 -11.999 1.00 0.00 N ATOM 1984 CA ILE A 128 1.111 -1.217 -12.705 1.00 0.00 C ATOM 1985 C ILE A 128 -0.373 -0.988 -12.998 1.00 0.00 C ATOM 1986 O ILE A 128 -1.004 -0.128 -12.385 1.00 0.00 O ATOM 1987 CB ILE A 128 1.394 -2.501 -11.922 1.00 0.00 C ATOM 1988 CG1 ILE A 128 0.927 -2.372 -10.471 1.00 0.00 C ATOM 1989 CG2 ILE A 128 2.871 -2.886 -12.017 1.00 0.00 C ATOM 1990 CD1 ILE A 128 0.672 -3.748 -9.853 1.00 0.00 C ATOM 0 H ILE A 128 1.062 0.276 -11.234 1.00 0.00 H new ATOM 0 HA ILE A 128 1.610 -1.341 -13.666 1.00 0.00 H new ATOM 0 HB ILE A 128 0.821 -3.311 -12.374 1.00 0.00 H new ATOM 0 HG12 ILE A 128 1.680 -1.842 -9.888 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.015 -1.776 -10.430 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.045 -3.802 -11.452 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.138 -3.047 -13.061 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.483 -2.084 -11.605 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.341 -3.628 -8.821 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -0.099 -4.266 -10.423 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.592 -4.332 -9.873 1.00 0.00 H new ATOM 2002 N ASN A 129 -0.886 -1.774 -13.931 1.00 0.00 N ATOM 2003 CA ASN A 129 -2.284 -1.668 -14.312 1.00 0.00 C ATOM 2004 C ASN A 129 -3.073 -2.807 -13.662 1.00 0.00 C ATOM 2005 O ASN A 129 -2.490 -3.704 -13.055 1.00 0.00 O ATOM 2006 CB ASN A 129 -2.452 -1.784 -15.829 1.00 0.00 C ATOM 2007 CG ASN A 129 -1.546 -2.877 -16.399 1.00 0.00 C ATOM 2008 OD1 ASN A 129 -0.350 -2.915 -16.160 1.00 0.00 O ATOM 2009 ND2 ASN A 129 -2.179 -3.760 -17.166 1.00 0.00 N ATOM 0 H ASN A 129 -0.359 -2.487 -14.435 1.00 0.00 H new ATOM 0 HA ASN A 129 -2.651 -0.696 -13.981 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -3.492 -2.008 -16.067 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -2.216 -0.829 -16.299 1.00 0.00 H new ATOM 0 HD21 ASN A 129 -1.661 -4.527 -17.595 1.00 0.00 H new ATOM 0 HD22 ASN A 129 -3.182 -3.670 -17.325 1.00 0.00 H new ATOM 2016 N GLU A 130 -4.387 -2.733 -13.809 1.00 0.00 N ATOM 2017 CA GLU A 130 -5.263 -3.746 -13.243 1.00 0.00 C ATOM 2018 C GLU A 130 -4.850 -5.136 -13.730 1.00 0.00 C ATOM 2019 O GLU A 130 -4.713 -6.062 -12.932 1.00 0.00 O ATOM 2020 CB GLU A 130 -6.727 -3.457 -13.583 1.00 0.00 C ATOM 2021 CG GLU A 130 -7.632 -4.600 -13.115 1.00 0.00 C ATOM 2022 CD GLU A 130 -9.019 -4.496 -13.754 1.00 0.00 C ATOM 2023 OE1 GLU A 130 -9.601 -3.402 -13.797 1.00 0.00 O ATOM 2024 OE2 GLU A 130 -9.490 -5.603 -14.217 1.00 0.00 O ATOM 0 H GLU A 130 -4.867 -1.987 -14.312 1.00 0.00 H new ATOM 0 HA GLU A 130 -5.165 -3.719 -12.158 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -7.037 -2.525 -13.110 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.834 -3.320 -14.659 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -7.179 -5.557 -13.374 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -7.725 -4.574 -12.029 1.00 0.00 H new ATOM 2032 N ALA A 131 -4.662 -5.238 -15.038 1.00 0.00 N ATOM 2033 CA ALA A 131 -4.268 -6.501 -15.641 1.00 0.00 C ATOM 2034 C ALA A 131 -3.020 -7.030 -14.932 1.00 0.00 C ATOM 2035 O ALA A 131 -2.987 -8.185 -14.505 1.00 0.00 O ATOM 2036 CB ALA A 131 -4.047 -6.302 -17.142 1.00 0.00 C ATOM 0 H ALA A 131 -4.775 -4.467 -15.697 1.00 0.00 H new ATOM 0 HA ALA A 131 -5.055 -7.246 -15.524 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.752 -7.248 -17.595 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.971 -5.952 -17.603 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -3.261 -5.563 -17.299 1.00 0.00 H new ATOM 2042 N GLN A 132 -2.023 -6.164 -14.829 1.00 0.00 N ATOM 2043 CA GLN A 132 -0.775 -6.530 -14.179 1.00 0.00 C ATOM 2044 C GLN A 132 -1.053 -7.143 -12.805 1.00 0.00 C ATOM 2045 O GLN A 132 -0.463 -8.160 -12.445 1.00 0.00 O ATOM 2046 CB GLN A 132 0.158 -5.324 -14.065 1.00 0.00 C ATOM 2047 CG GLN A 132 1.316 -5.429 -15.059 1.00 0.00 C ATOM 2048 CD GLN A 132 2.251 -4.225 -14.942 1.00 0.00 C ATOM 2049 OE1 GLN A 132 1.838 -3.078 -14.996 1.00 0.00 O ATOM 2050 NE2 GLN A 132 3.531 -4.546 -14.779 1.00 0.00 N ATOM 0 H GLN A 132 -2.054 -5.209 -15.185 1.00 0.00 H new ATOM 0 HA GLN A 132 -0.273 -7.278 -14.793 1.00 0.00 H new ATOM 0 HB2 GLN A 132 -0.403 -4.408 -14.250 1.00 0.00 H new ATOM 0 HB3 GLN A 132 0.550 -5.258 -13.050 1.00 0.00 H new ATOM 0 HG2 GLN A 132 1.875 -6.347 -14.876 1.00 0.00 H new ATOM 0 HG3 GLN A 132 0.924 -5.492 -16.074 1.00 0.00 H new ATOM 0 HE21 GLN A 132 3.810 -5.526 -14.742 1.00 0.00 H new ATOM 0 HE22 GLN A 132 4.234 -3.812 -14.691 1.00 0.00 H new ATOM 2059 N ALA A 133 -1.950 -6.497 -12.076 1.00 0.00 N ATOM 2060 CA ALA A 133 -2.313 -6.965 -10.748 1.00 0.00 C ATOM 2061 C ALA A 133 -2.751 -8.429 -10.831 1.00 0.00 C ATOM 2062 O ALA A 133 -2.438 -9.225 -9.947 1.00 0.00 O ATOM 2063 CB ALA A 133 -3.403 -6.063 -10.168 1.00 0.00 C ATOM 0 H ALA A 133 -2.437 -5.653 -12.379 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.457 -6.914 -10.076 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.675 -6.414 -9.173 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -3.032 -5.040 -10.103 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -4.280 -6.091 -10.814 1.00 0.00 H new ATOM 2069 N LEU A 134 -3.468 -8.740 -11.901 1.00 0.00 N ATOM 2070 CA LEU A 134 -3.952 -10.093 -12.111 1.00 0.00 C ATOM 2071 C LEU A 134 -2.767 -11.014 -12.410 1.00 0.00 C ATOM 2072 O LEU A 134 -2.589 -12.037 -11.749 1.00 0.00 O ATOM 2073 CB LEU A 134 -5.033 -10.114 -13.191 1.00 0.00 C ATOM 2074 CG LEU A 134 -6.087 -9.008 -13.109 1.00 0.00 C ATOM 2075 CD1 LEU A 134 -7.192 -9.222 -14.144 1.00 0.00 C ATOM 2076 CD2 LEU A 134 -6.648 -8.889 -11.690 1.00 0.00 C ATOM 0 H LEU A 134 -3.725 -8.077 -12.632 1.00 0.00 H new ATOM 0 HA LEU A 134 -4.430 -10.470 -11.207 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -4.547 -10.053 -14.165 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.542 -11.077 -13.149 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.604 -8.060 -13.346 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -7.927 -8.421 -14.063 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.759 -9.217 -15.144 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -7.679 -10.181 -13.964 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -7.395 -8.096 -11.659 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -7.109 -9.833 -11.401 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.840 -8.653 -10.998 1.00 0.00 H new