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= -1.78! C(o=-3.3!,f=-10!) USER MOD Set 1.2: A 132 GLN : amide:sc= -1.52 K(o=-3.3,f=-8.9!) USER MOD Set 2.1: A 65 SER OG : rot -117:sc= -0.512 USER MOD Set 2.2: A 108 TYR OH : rot 30:sc= 0.524 USER MOD Set 3.1: A 27 THR OG1 : rot 130:sc= 0.654 USER MOD Set 3.2: A 59 ASN : amide:sc= -0.299 K(o=0.35,f=-0.28) USER MOD Set 4.1: A 30 LYS NZ :NH3+ 163:sc= 0.137 (180deg=0) USER MOD Set 4.2: A 46 THR OG1 : rot 84:sc= 1.36 USER MOD Set 5.1: A 36 CYS SG : rot -141:sc= 0.315 USER MOD Set 5.2: A 39 CYS SG : rot 180:sc= 0.254 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 100:sc= -1.42! USER MOD Single : A 14 ASN : amide:sc= -0.198 X(o=-0.2,f=-0.031) USER MOD Single : A 18 SER OG : rot -19:sc= 0.233 USER MOD Single : A 20 TYR OH : rot 30:sc= -1.23 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 34 SER OG : rot -107:sc= 0.4 USER MOD Single : A 41 SER OG : rot -17:sc= 0.923 USER MOD Single : A 45 GLN : amide:sc=-0.00252 K(o=-0.0025,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.0031) USER MOD Single : A 51 GLN : amide:sc= -1.34 X(o=-1.3,f=-1.7!) 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 -107:sc= 0.0029 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= -0.79 K(o=-0.79,f=-4.1!) 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 50:sc= 0.0987 USER MOD Single : A 95 ASN : amide:sc= 0.703 K(o=0.7,f=-4.3!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= -0.702 X(o=-0.7,f=-1) USER MOD Single : A 102 SER OG : rot 97:sc= 1.16 USER MOD Single : A 104 ASN : amide:sc= -0.85! C(o=-0.85!,f=-1!) USER MOD Single : A 106 SER OG : rot 50:sc= 0.191! USER MOD Single : A 110 SER OG : rot 89:sc= 1.22 USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 GLN : amide:sc= -0.0138 X(o=-0.014,f=-0.12) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 127 SER OG : rot 180:sc= -0.871 USER MOD ----------------------------------------------------------------- ATOM 124 N LEU A 9 1.388 -1.216 11.929 1.00 0.00 N ATOM 125 CA LEU A 9 1.083 -0.016 11.167 1.00 0.00 C ATOM 126 C LEU A 9 -0.428 0.222 11.183 1.00 0.00 C ATOM 127 O LEU A 9 -1.208 -0.695 10.926 1.00 0.00 O ATOM 128 CB LEU A 9 1.677 -0.110 9.762 1.00 0.00 C ATOM 129 CG LEU A 9 3.085 0.460 9.588 1.00 0.00 C ATOM 130 CD1 LEU A 9 3.197 1.849 10.221 1.00 0.00 C ATOM 131 CD2 LEU A 9 4.139 -0.506 10.136 1.00 0.00 C ATOM 0 HA LEU A 9 1.548 0.857 11.626 1.00 0.00 H new ATOM 0 HB2 LEU A 9 1.692 -1.159 9.465 1.00 0.00 H new ATOM 0 HB3 LEU A 9 1.010 0.407 9.072 1.00 0.00 H new ATOM 0 HG LEU A 9 3.277 0.576 8.521 1.00 0.00 H new ATOM 0 HD11 LEU A 9 4.208 2.231 10.083 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.486 2.524 9.745 1.00 0.00 H new ATOM 0 HD13 LEU A 9 2.977 1.782 11.286 1.00 0.00 H new ATOM 0 HD21 LEU A 9 5.132 -0.077 10.000 1.00 0.00 H new ATOM 0 HD22 LEU A 9 3.960 -0.676 11.198 1.00 0.00 H new ATOM 0 HD23 LEU A 9 4.077 -1.454 9.601 1.00 0.00 H new ATOM 143 N LYS A 10 -0.797 1.457 11.487 1.00 0.00 N ATOM 144 CA LYS A 10 -2.202 1.828 11.538 1.00 0.00 C ATOM 145 C LYS A 10 -2.553 2.655 10.300 1.00 0.00 C ATOM 146 O LYS A 10 -1.687 3.304 9.716 1.00 0.00 O ATOM 147 CB LYS A 10 -2.522 2.531 12.859 1.00 0.00 C ATOM 148 CG LYS A 10 -2.509 1.541 14.025 1.00 0.00 C ATOM 149 CD LYS A 10 -2.617 2.271 15.366 1.00 0.00 C ATOM 150 CE LYS A 10 -1.324 2.130 16.172 1.00 0.00 C ATOM 151 NZ LYS A 10 -1.261 0.801 16.820 1.00 0.00 N ATOM 0 H LYS A 10 -0.148 2.214 11.701 1.00 0.00 H new ATOM 0 HA LYS A 10 -2.832 0.939 11.516 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -1.793 3.321 13.040 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.500 3.008 12.793 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.337 0.840 13.921 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -1.590 0.955 13.999 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -2.829 3.326 15.194 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -3.452 1.867 15.938 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -0.463 2.263 15.517 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.273 2.913 16.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.378 0.721 17.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -2.073 0.688 17.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.288 0.058 16.092 1.00 0.00 H new ATOM 164 N THR A 11 -3.826 2.603 9.935 1.00 0.00 N ATOM 165 CA THR A 11 -4.303 3.340 8.777 1.00 0.00 C ATOM 166 C THR A 11 -4.566 4.801 9.145 1.00 0.00 C ATOM 167 O THR A 11 -4.428 5.188 10.304 1.00 0.00 O ATOM 168 CB THR A 11 -5.536 2.618 8.233 1.00 0.00 C ATOM 169 OG1 THR A 11 -6.406 2.520 9.357 1.00 0.00 O ATOM 170 CG2 THR A 11 -5.246 1.162 7.858 1.00 0.00 C ATOM 0 H THR A 11 -4.541 2.062 10.421 1.00 0.00 H new ATOM 0 HA THR A 11 -3.551 3.368 7.988 1.00 0.00 H new ATOM 0 HB THR A 11 -5.910 3.150 7.358 1.00 0.00 H new ATOM 0 HG1 THR A 11 -7.088 3.221 9.305 1.00 0.00 H new ATOM 0 HG21 THR A 11 -6.155 0.696 7.478 1.00 0.00 H new ATOM 0 HG22 THR A 11 -4.474 1.131 7.090 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.903 0.621 8.740 1.00 0.00 H new ATOM 178 N ALA A 12 -4.942 5.573 8.136 1.00 0.00 N ATOM 179 CA ALA A 12 -5.227 6.983 8.340 1.00 0.00 C ATOM 180 C ALA A 12 -6.551 7.129 9.091 1.00 0.00 C ATOM 181 O ALA A 12 -6.865 8.203 9.602 1.00 0.00 O ATOM 182 CB ALA A 12 -5.242 7.701 6.989 1.00 0.00 C ATOM 0 H ALA A 12 -5.056 5.249 7.176 1.00 0.00 H new ATOM 0 HA ALA A 12 -4.450 7.447 8.948 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -5.456 8.759 7.142 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -4.270 7.593 6.509 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -6.011 7.263 6.353 1.00 0.00 H new ATOM 188 N ASP A 13 -7.294 6.032 9.136 1.00 0.00 N ATOM 189 CA ASP A 13 -8.576 6.023 9.816 1.00 0.00 C ATOM 190 C ASP A 13 -8.411 5.395 11.203 1.00 0.00 C ATOM 191 O ASP A 13 -9.356 4.830 11.748 1.00 0.00 O ATOM 192 CB ASP A 13 -9.605 5.197 9.042 1.00 0.00 C ATOM 193 CG ASP A 13 -9.163 3.773 8.699 1.00 0.00 C ATOM 194 OD1 ASP A 13 -9.783 2.790 9.133 1.00 0.00 O ATOM 195 OD2 ASP A 13 -8.123 3.694 7.942 1.00 0.00 O ATOM 0 H ASP A 13 -7.031 5.143 8.711 1.00 0.00 H new ATOM 0 HA ASP A 13 -8.924 7.053 9.891 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -10.523 5.146 9.628 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -9.847 5.720 8.116 1.00 0.00 H new ATOM 201 N ASN A 14 -7.201 5.515 11.729 1.00 0.00 N ATOM 202 CA ASN A 14 -6.899 4.966 13.041 1.00 0.00 C ATOM 203 C ASN A 14 -7.428 3.533 13.122 1.00 0.00 C ATOM 204 O ASN A 14 -8.328 3.244 13.911 1.00 0.00 O ATOM 205 CB ASN A 14 -7.569 5.782 14.149 1.00 0.00 C ATOM 206 CG ASN A 14 -6.559 6.700 14.839 1.00 0.00 C ATOM 207 OD1 ASN A 14 -6.696 7.913 14.860 1.00 0.00 O ATOM 208 ND2 ASN A 14 -5.540 6.057 15.402 1.00 0.00 N ATOM 0 H ASN A 14 -6.419 5.984 11.272 1.00 0.00 H new ATOM 0 HA ASN A 14 -5.818 4.994 13.178 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -8.379 6.378 13.728 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.015 5.110 14.882 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -4.812 6.581 15.888 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -5.486 5.040 15.347 1.00 0.00 H new ATOM 215 N ARG A 15 -6.849 2.673 12.298 1.00 0.00 N ATOM 216 CA ARG A 15 -7.250 1.277 12.268 1.00 0.00 C ATOM 217 C ARG A 15 -6.023 0.374 12.134 1.00 0.00 C ATOM 218 O ARG A 15 -5.020 0.768 11.541 1.00 0.00 O ATOM 219 CB ARG A 15 -8.207 1.005 11.105 1.00 0.00 C ATOM 220 CG ARG A 15 -9.613 0.685 11.616 1.00 0.00 C ATOM 221 CD ARG A 15 -10.529 0.257 10.466 1.00 0.00 C ATOM 222 NE ARG A 15 -11.903 0.750 10.703 1.00 0.00 N ATOM 223 CZ ARG A 15 -12.815 0.111 11.465 1.00 0.00 C ATOM 224 NH1 ARG A 15 -12.507 -1.053 12.073 1.00 0.00 N ATOM 225 NH2 ARG A 15 -14.016 0.643 11.607 1.00 0.00 N ATOM 0 H ARG A 15 -6.104 2.916 11.645 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.763 1.059 13.205 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -8.244 1.874 10.449 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -7.834 0.172 10.510 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.562 -0.110 12.360 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.031 1.560 12.113 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.150 0.651 9.523 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.534 -0.830 10.379 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.178 1.628 10.263 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.578 -1.458 11.959 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.203 -1.528 12.647 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.242 1.523 11.144 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.717 0.173 12.179 1.00 0.00 H new ATOM 238 N PRO A 16 -6.147 -0.853 12.708 1.00 0.00 N ATOM 239 CA PRO A 16 -5.060 -1.815 12.657 1.00 0.00 C ATOM 240 C PRO A 16 -4.945 -2.441 11.265 1.00 0.00 C ATOM 241 O PRO A 16 -5.932 -2.925 10.716 1.00 0.00 O ATOM 242 CB PRO A 16 -5.384 -2.832 13.741 1.00 0.00 C ATOM 243 CG PRO A 16 -6.864 -2.663 14.041 1.00 0.00 C ATOM 244 CD PRO A 16 -7.320 -1.355 13.418 1.00 0.00 C ATOM 0 HA PRO A 16 -4.086 -1.359 12.835 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -5.167 -3.845 13.403 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -4.782 -2.658 14.633 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -7.434 -3.498 13.634 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -7.037 -2.654 15.117 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -8.157 -1.511 12.738 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -7.654 -0.650 14.179 1.00 0.00 H new ATOM 252 N ALA A 17 -3.731 -2.409 10.735 1.00 0.00 N ATOM 253 CA ALA A 17 -3.474 -2.967 9.419 1.00 0.00 C ATOM 254 C ALA A 17 -3.938 -4.425 9.387 1.00 0.00 C ATOM 255 O ALA A 17 -4.216 -4.968 8.320 1.00 0.00 O ATOM 256 CB ALA A 17 -1.988 -2.821 9.083 1.00 0.00 C ATOM 0 H ALA A 17 -2.914 -2.005 11.194 1.00 0.00 H new ATOM 0 HA ALA A 17 -4.035 -2.426 8.657 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -1.795 -3.240 8.095 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -1.716 -1.766 9.089 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.393 -3.353 9.825 1.00 0.00 H new ATOM 262 N SER A 18 -4.009 -5.015 10.571 1.00 0.00 N ATOM 263 CA SER A 18 -4.434 -6.399 10.692 1.00 0.00 C ATOM 264 C SER A 18 -5.860 -6.556 10.162 1.00 0.00 C ATOM 265 O SER A 18 -6.286 -7.664 9.836 1.00 0.00 O ATOM 266 CB SER A 18 -4.352 -6.875 12.145 1.00 0.00 C ATOM 267 OG SER A 18 -3.960 -8.243 12.237 1.00 0.00 O ATOM 0 H SER A 18 -3.779 -4.560 11.455 1.00 0.00 H new ATOM 0 HA SER A 18 -3.762 -7.017 10.097 1.00 0.00 H new ATOM 0 HB2 SER A 18 -3.639 -6.256 12.690 1.00 0.00 H new ATOM 0 HB3 SER A 18 -5.321 -6.742 12.625 1.00 0.00 H new ATOM 0 HG SER A 18 -4.113 -8.686 11.376 1.00 0.00 H new ATOM 273 N VAL A 19 -6.558 -5.433 10.091 1.00 0.00 N ATOM 274 CA VAL A 19 -7.928 -5.433 9.606 1.00 0.00 C ATOM 275 C VAL A 19 -8.025 -6.325 8.368 1.00 0.00 C ATOM 276 O VAL A 19 -8.966 -7.106 8.233 1.00 0.00 O ATOM 277 CB VAL A 19 -8.389 -3.996 9.346 1.00 0.00 C ATOM 278 CG1 VAL A 19 -9.701 -3.977 8.556 1.00 0.00 C ATOM 279 CG2 VAL A 19 -8.525 -3.218 10.655 1.00 0.00 C ATOM 0 H VAL A 19 -6.201 -4.516 10.361 1.00 0.00 H new ATOM 0 HA VAL A 19 -8.601 -5.846 10.357 1.00 0.00 H new ATOM 0 HB VAL A 19 -7.627 -3.503 8.743 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -10.007 -2.945 8.384 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -9.556 -4.477 7.598 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -10.474 -4.496 9.123 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -8.854 -2.201 10.441 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -9.258 -3.709 11.296 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -7.561 -3.189 11.163 1.00 0.00 H new ATOM 289 N TYR A 20 -7.041 -6.181 7.493 1.00 0.00 N ATOM 290 CA TYR A 20 -7.004 -6.965 6.271 1.00 0.00 C ATOM 291 C TYR A 20 -5.851 -7.971 6.299 1.00 0.00 C ATOM 292 O TYR A 20 -5.781 -8.863 5.456 1.00 0.00 O ATOM 293 CB TYR A 20 -6.765 -5.967 5.136 1.00 0.00 C ATOM 294 CG TYR A 20 -5.664 -4.945 5.429 1.00 0.00 C ATOM 295 CD1 TYR A 20 -4.339 -5.330 5.397 1.00 0.00 C ATOM 296 CD2 TYR A 20 -5.995 -3.638 5.722 1.00 0.00 C ATOM 297 CE1 TYR A 20 -3.303 -4.369 5.671 1.00 0.00 C ATOM 298 CE2 TYR A 20 -4.959 -2.677 5.996 1.00 0.00 C ATOM 299 CZ TYR A 20 -3.664 -3.090 5.957 1.00 0.00 C ATOM 300 OH TYR A 20 -2.685 -2.182 6.216 1.00 0.00 O ATOM 0 H TYR A 20 -6.262 -5.532 7.607 1.00 0.00 H new ATOM 0 HA TYR A 20 -7.931 -7.525 6.147 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -6.505 -6.516 4.231 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -7.695 -5.436 4.931 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -4.079 -6.353 5.166 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -7.032 -3.336 5.746 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -2.262 -4.658 5.650 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -5.205 -1.651 6.227 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.875 -2.425 5.721 1.00 0.00 H new ATOM 310 N LEU A 21 -4.976 -7.793 7.278 1.00 0.00 N ATOM 311 CA LEU A 21 -3.831 -8.674 7.428 1.00 0.00 C ATOM 312 C LEU A 21 -4.215 -9.856 8.320 1.00 0.00 C ATOM 313 O LEU A 21 -4.364 -9.703 9.530 1.00 0.00 O ATOM 314 CB LEU A 21 -2.616 -7.893 7.932 1.00 0.00 C ATOM 315 CG LEU A 21 -1.442 -7.776 6.958 1.00 0.00 C ATOM 316 CD1 LEU A 21 -0.571 -6.563 7.293 1.00 0.00 C ATOM 317 CD2 LEU A 21 -0.629 -9.071 6.920 1.00 0.00 C ATOM 0 H LEU A 21 -5.037 -7.051 7.975 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.538 -9.085 6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.941 -6.888 8.200 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.258 -8.367 8.846 1.00 0.00 H new ATOM 0 HG LEU A 21 -1.844 -7.619 5.957 1.00 0.00 H new ATOM 0 HD11 LEU A 21 0.256 -6.503 6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.171 -5.655 7.228 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.177 -6.666 8.304 1.00 0.00 H new ATOM 0 HD21 LEU A 21 0.199 -8.960 6.220 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -0.237 -9.284 7.915 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.269 -9.893 6.598 1.00 0.00 H new ATOM 329 N LYS A 22 -4.364 -11.011 7.685 1.00 0.00 N ATOM 330 CA LYS A 22 -4.728 -12.218 8.407 1.00 0.00 C ATOM 331 C LYS A 22 -5.229 -13.269 7.412 1.00 0.00 C ATOM 332 O LYS A 22 -5.180 -13.057 6.203 1.00 0.00 O ATOM 333 CB LYS A 22 -5.731 -11.898 9.518 1.00 0.00 C ATOM 334 CG LYS A 22 -5.048 -11.899 10.887 1.00 0.00 C ATOM 335 CD LYS A 22 -5.834 -11.055 11.893 1.00 0.00 C ATOM 336 CE LYS A 22 -6.673 -11.940 12.815 1.00 0.00 C ATOM 337 NZ LYS A 22 -8.108 -11.594 12.704 1.00 0.00 N ATOM 0 H LYS A 22 -4.239 -11.135 6.680 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.856 -12.639 8.908 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -6.185 -10.924 9.334 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -6.537 -12.632 9.509 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -4.962 -12.922 11.254 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.035 -11.508 10.792 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.144 -10.456 12.487 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.483 -10.360 11.361 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.525 -12.988 12.556 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -6.342 -11.817 13.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.662 -12.205 13.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -8.247 -10.599 12.974 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -8.424 -11.734 11.723 1.00 0.00 H new ATOM 350 N LYS A 23 -5.698 -14.380 7.961 1.00 0.00 N ATOM 351 CA LYS A 23 -6.206 -15.465 7.138 1.00 0.00 C ATOM 352 C LYS A 23 -5.049 -16.093 6.359 1.00 0.00 C ATOM 353 O LYS A 23 -5.259 -16.685 5.300 1.00 0.00 O ATOM 354 CB LYS A 23 -7.351 -14.971 6.251 1.00 0.00 C ATOM 355 CG LYS A 23 -7.967 -16.128 5.458 1.00 0.00 C ATOM 356 CD LYS A 23 -9.448 -16.299 5.802 1.00 0.00 C ATOM 357 CE LYS A 23 -10.178 -17.080 4.706 1.00 0.00 C ATOM 358 NZ LYS A 23 -11.014 -18.146 5.300 1.00 0.00 N ATOM 0 H LYS A 23 -5.737 -14.552 8.966 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.633 -16.251 7.761 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -8.116 -14.499 6.867 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.982 -14.210 5.564 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.857 -15.941 4.390 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -7.430 -17.051 5.677 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.546 -16.822 6.753 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -9.912 -15.320 5.927 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -10.802 -16.403 4.123 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.454 -17.518 4.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -11.502 -18.666 4.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.411 -18.801 5.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.717 -17.721 5.937 1.00 0.00 H new ATOM 371 N ASP A 24 -3.855 -15.942 6.911 1.00 0.00 N ATOM 372 CA ASP A 24 -2.665 -16.486 6.280 1.00 0.00 C ATOM 373 C ASP A 24 -2.706 -16.189 4.781 1.00 0.00 C ATOM 374 O ASP A 24 -2.322 -17.028 3.966 1.00 0.00 O ATOM 375 CB ASP A 24 -2.592 -18.004 6.460 1.00 0.00 C ATOM 376 CG ASP A 24 -2.012 -18.471 7.796 1.00 0.00 C ATOM 377 OD1 ASP A 24 -1.627 -17.653 8.646 1.00 0.00 O ATOM 378 OD2 ASP A 24 -1.964 -19.750 7.952 1.00 0.00 O ATOM 0 H ASP A 24 -3.686 -15.451 7.789 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.795 -16.025 6.747 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -3.596 -18.416 6.353 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.989 -18.421 5.654 1.00 0.00 H new ATOM 384 N LYS A 25 -3.176 -14.993 4.458 1.00 0.00 N ATOM 385 CA LYS A 25 -3.272 -14.574 3.071 1.00 0.00 C ATOM 386 C LYS A 25 -2.151 -13.579 2.763 1.00 0.00 C ATOM 387 O LYS A 25 -1.570 -12.992 3.675 1.00 0.00 O ATOM 388 CB LYS A 25 -4.672 -14.036 2.770 1.00 0.00 C ATOM 389 CG LYS A 25 -5.666 -15.181 2.555 1.00 0.00 C ATOM 390 CD LYS A 25 -5.615 -15.685 1.112 1.00 0.00 C ATOM 391 CE LYS A 25 -6.805 -15.162 0.305 1.00 0.00 C ATOM 392 NZ LYS A 25 -7.819 -16.225 0.128 1.00 0.00 N ATOM 0 H LYS A 25 -3.495 -14.300 5.135 1.00 0.00 H new ATOM 0 HA LYS A 25 -3.133 -15.426 2.406 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -5.009 -13.407 3.594 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -4.640 -13.406 1.881 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -5.438 -15.999 3.238 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -6.675 -14.841 2.790 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -4.685 -15.364 0.644 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -5.616 -16.775 1.104 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -7.250 -14.308 0.815 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -6.465 -14.810 -0.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -8.620 -15.853 -0.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -7.395 -17.028 -0.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -8.156 -16.542 1.059 1.00 0.00 H new ATOM 405 N PRO A 26 -1.874 -13.416 1.442 1.00 0.00 N ATOM 406 CA PRO A 26 -0.834 -12.502 1.003 1.00 0.00 C ATOM 407 C PRO A 26 -1.295 -11.049 1.121 1.00 0.00 C ATOM 408 O PRO A 26 -2.493 -10.770 1.112 1.00 0.00 O ATOM 409 CB PRO A 26 -0.527 -12.913 -0.427 1.00 0.00 C ATOM 410 CG PRO A 26 -1.720 -13.732 -0.892 1.00 0.00 C ATOM 411 CD PRO A 26 -2.542 -14.095 0.335 1.00 0.00 C ATOM 0 HA PRO A 26 0.062 -12.558 1.621 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -0.382 -12.039 -1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 26 0.391 -13.498 -0.476 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -2.322 -13.162 -1.600 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -1.387 -14.632 -1.409 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -3.575 -13.763 0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -2.568 -15.174 0.490 1.00 0.00 H new ATOM 419 N THR A 27 -0.319 -10.158 1.230 1.00 0.00 N ATOM 420 CA THR A 27 -0.611 -8.739 1.350 1.00 0.00 C ATOM 421 C THR A 27 0.275 -7.931 0.399 1.00 0.00 C ATOM 422 O THR A 27 1.459 -8.227 0.243 1.00 0.00 O ATOM 423 CB THR A 27 -0.443 -8.344 2.818 1.00 0.00 C ATOM 424 OG1 THR A 27 -1.338 -9.209 3.513 1.00 0.00 O ATOM 425 CG2 THR A 27 -0.977 -6.941 3.112 1.00 0.00 C ATOM 0 H THR A 27 0.674 -10.391 1.238 1.00 0.00 H new ATOM 0 HA THR A 27 -1.637 -8.520 1.055 1.00 0.00 H new ATOM 0 HB THR A 27 0.611 -8.395 3.090 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.866 -9.639 4.256 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.833 -6.711 4.168 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.439 -6.212 2.505 1.00 0.00 H new ATOM 0 HG23 THR A 27 -2.040 -6.899 2.873 1.00 0.00 H new ATOM 433 N LEU A 28 -0.333 -6.926 -0.214 1.00 0.00 N ATOM 434 CA LEU A 28 0.385 -6.073 -1.146 1.00 0.00 C ATOM 435 C LEU A 28 0.345 -4.628 -0.642 1.00 0.00 C ATOM 436 O LEU A 28 -0.699 -4.148 -0.203 1.00 0.00 O ATOM 437 CB LEU A 28 -0.164 -6.246 -2.563 1.00 0.00 C ATOM 438 CG LEU A 28 0.538 -5.440 -3.658 1.00 0.00 C ATOM 439 CD1 LEU A 28 1.964 -5.948 -3.882 1.00 0.00 C ATOM 440 CD2 LEU A 28 -0.280 -5.438 -4.950 1.00 0.00 C ATOM 0 H LEU A 28 -1.315 -6.683 -0.083 1.00 0.00 H new ATOM 0 HA LEU A 28 1.434 -6.364 -1.199 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.110 -7.302 -2.826 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -1.219 -5.973 -2.558 1.00 0.00 H new ATOM 0 HG LEU A 28 0.613 -4.405 -3.325 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.441 -5.359 -4.665 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.534 -5.852 -2.958 1.00 0.00 H new ATOM 0 HD13 LEU A 28 1.934 -6.995 -4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 28 0.243 -4.858 -5.711 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.410 -6.462 -5.300 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.257 -4.993 -4.762 1.00 0.00 H new ATOM 452 N ILE A 29 1.495 -3.975 -0.722 1.00 0.00 N ATOM 453 CA ILE A 29 1.605 -2.596 -0.279 1.00 0.00 C ATOM 454 C ILE A 29 1.889 -1.699 -1.486 1.00 0.00 C ATOM 455 O ILE A 29 2.532 -2.126 -2.445 1.00 0.00 O ATOM 456 CB ILE A 29 2.645 -2.471 0.836 1.00 0.00 C ATOM 457 CG1 ILE A 29 2.404 -3.517 1.926 1.00 0.00 C ATOM 458 CG2 ILE A 29 2.676 -1.049 1.401 1.00 0.00 C ATOM 459 CD1 ILE A 29 3.670 -4.338 2.188 1.00 0.00 C ATOM 0 H ILE A 29 2.359 -4.376 -1.087 1.00 0.00 H new ATOM 0 HA ILE A 29 0.664 -2.260 0.156 1.00 0.00 H new ATOM 0 HB ILE A 29 3.629 -2.668 0.411 1.00 0.00 H new ATOM 0 HG12 ILE A 29 2.090 -3.023 2.846 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.592 -4.180 1.626 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.424 -0.988 2.192 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.930 -0.347 0.607 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.696 -0.798 1.808 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.472 -5.074 2.967 1.00 0.00 H new ATOM 0 HD12 ILE A 29 3.968 -4.849 1.273 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.473 -3.675 2.511 1.00 0.00 H new ATOM 471 N LYS A 30 1.394 -0.473 -1.402 1.00 0.00 N ATOM 472 CA LYS A 30 1.587 0.488 -2.475 1.00 0.00 C ATOM 473 C LYS A 30 1.899 1.860 -1.876 1.00 0.00 C ATOM 474 O LYS A 30 1.046 2.469 -1.233 1.00 0.00 O ATOM 475 CB LYS A 30 0.380 0.488 -3.416 1.00 0.00 C ATOM 476 CG LYS A 30 0.538 1.546 -4.509 1.00 0.00 C ATOM 477 CD LYS A 30 -0.826 2.055 -4.983 1.00 0.00 C ATOM 478 CE LYS A 30 -0.670 3.060 -6.124 1.00 0.00 C ATOM 479 NZ LYS A 30 -1.495 4.263 -5.872 1.00 0.00 N ATOM 0 H LYS A 30 0.859 -0.123 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 30 2.442 0.207 -3.089 1.00 0.00 H new ATOM 0 HB2 LYS A 30 0.269 -0.496 -3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -0.529 0.681 -2.847 1.00 0.00 H new ATOM 0 HG2 LYS A 30 1.129 2.380 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 30 1.085 1.124 -5.352 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -1.436 1.215 -5.315 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -1.353 2.523 -4.151 1.00 0.00 H new ATOM 0 HE2 LYS A 30 0.377 3.345 -6.225 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -0.967 2.599 -7.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -1.171 5.040 -6.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -2.491 4.051 -6.081 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -1.403 4.544 -4.875 1.00 0.00 H new ATOM 492 N PHE A 31 3.125 2.307 -2.108 1.00 0.00 N ATOM 493 CA PHE A 31 3.561 3.596 -1.599 1.00 0.00 C ATOM 494 C PHE A 31 3.212 4.719 -2.578 1.00 0.00 C ATOM 495 O PHE A 31 3.487 4.613 -3.773 1.00 0.00 O ATOM 496 CB PHE A 31 5.082 3.525 -1.444 1.00 0.00 C ATOM 497 CG PHE A 31 5.558 2.434 -0.483 1.00 0.00 C ATOM 498 CD1 PHE A 31 5.650 1.145 -0.908 1.00 0.00 C ATOM 499 CD2 PHE A 31 5.890 2.752 0.798 1.00 0.00 C ATOM 500 CE1 PHE A 31 6.093 0.133 -0.016 1.00 0.00 C ATOM 501 CE2 PHE A 31 6.333 1.740 1.689 1.00 0.00 C ATOM 502 CZ PHE A 31 6.425 0.452 1.263 1.00 0.00 C ATOM 0 H PHE A 31 3.830 1.799 -2.642 1.00 0.00 H new ATOM 0 HA PHE A 31 3.065 3.809 -0.652 1.00 0.00 H new ATOM 0 HB2 PHE A 31 5.529 3.353 -2.423 1.00 0.00 H new ATOM 0 HB3 PHE A 31 5.447 4.490 -1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 31 5.386 0.891 -1.924 1.00 0.00 H new ATOM 0 HD2 PHE A 31 5.816 3.775 1.137 1.00 0.00 H new ATOM 0 HE1 PHE A 31 6.166 -0.890 -0.354 1.00 0.00 H new ATOM 0 HE2 PHE A 31 6.597 1.993 2.705 1.00 0.00 H new ATOM 0 HZ PHE A 31 6.762 -0.318 1.941 1.00 0.00 H new ATOM 512 N TRP A 32 2.613 5.768 -2.036 1.00 0.00 N ATOM 513 CA TRP A 32 2.225 6.909 -2.847 1.00 0.00 C ATOM 514 C TRP A 32 2.597 8.182 -2.082 1.00 0.00 C ATOM 515 O TRP A 32 2.960 8.121 -0.909 1.00 0.00 O ATOM 516 CB TRP A 32 0.740 6.843 -3.211 1.00 0.00 C ATOM 517 CG TRP A 32 -0.199 6.846 -2.002 1.00 0.00 C ATOM 518 CD1 TRP A 32 -0.356 5.887 -1.078 1.00 0.00 C ATOM 519 CD2 TRP A 32 -1.105 7.900 -1.620 1.00 0.00 C ATOM 520 NE1 TRP A 32 -1.296 6.246 -0.134 1.00 0.00 N ATOM 521 CE2 TRP A 32 -1.767 7.510 -0.474 1.00 0.00 C ATOM 522 CE3 TRP A 32 -1.360 9.145 -2.224 1.00 0.00 C ATOM 523 CZ2 TRP A 32 -2.723 8.304 0.168 1.00 0.00 C ATOM 524 CZ3 TRP A 32 -2.320 9.927 -1.569 1.00 0.00 C ATOM 525 CH2 TRP A 32 -2.993 9.547 -0.415 1.00 0.00 C ATOM 0 H TRP A 32 2.387 5.852 -1.045 1.00 0.00 H new ATOM 0 HA TRP A 32 2.758 6.906 -3.798 1.00 0.00 H new ATOM 0 HB2 TRP A 32 0.495 7.691 -3.850 1.00 0.00 H new ATOM 0 HB3 TRP A 32 0.560 5.941 -3.796 1.00 0.00 H new ATOM 0 HD1 TRP A 32 0.185 4.952 -1.073 1.00 0.00 H new ATOM 0 HE1 TRP A 32 -1.591 5.687 0.666 1.00 0.00 H new ATOM 0 HE3 TRP A 32 -0.856 9.472 -3.121 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 -3.226 7.975 1.066 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 -2.553 10.893 -1.991 1.00 0.00 H new ATOM 0 HH2 TRP A 32 -3.722 10.208 0.030 1.00 0.00 H new ATOM 536 N ALA A 33 2.492 9.304 -2.780 1.00 0.00 N ATOM 537 CA ALA A 33 2.812 10.589 -2.181 1.00 0.00 C ATOM 538 C ALA A 33 1.650 11.556 -2.406 1.00 0.00 C ATOM 539 O ALA A 33 0.918 11.435 -3.387 1.00 0.00 O ATOM 540 CB ALA A 33 4.127 11.111 -2.766 1.00 0.00 C ATOM 0 H ALA A 33 2.190 9.350 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 33 2.951 10.487 -1.105 1.00 0.00 H new ATOM 0 HB1 ALA A 33 4.368 12.075 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 33 4.927 10.402 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 33 4.024 11.229 -3.845 1.00 0.00 H new ATOM 546 N SER A 34 1.514 12.493 -1.479 1.00 0.00 N ATOM 547 CA SER A 34 0.452 13.481 -1.563 1.00 0.00 C ATOM 548 C SER A 34 0.840 14.584 -2.550 1.00 0.00 C ATOM 549 O SER A 34 -0.026 15.206 -3.165 1.00 0.00 O ATOM 550 CB SER A 34 0.145 14.081 -0.189 1.00 0.00 C ATOM 551 OG SER A 34 -1.256 14.188 0.046 1.00 0.00 O ATOM 0 H SER A 34 2.122 12.589 -0.666 1.00 0.00 H new ATOM 0 HA SER A 34 -0.449 12.983 -1.920 1.00 0.00 H new ATOM 0 HB2 SER A 34 0.596 13.462 0.586 1.00 0.00 H new ATOM 0 HB3 SER A 34 0.602 15.068 -0.114 1.00 0.00 H new ATOM 0 HG SER A 34 -1.527 15.128 -0.013 1.00 0.00 H new ATOM 557 N TRP A 35 2.143 14.795 -2.670 1.00 0.00 N ATOM 558 CA TRP A 35 2.656 15.813 -3.569 1.00 0.00 C ATOM 559 C TRP A 35 2.695 15.220 -4.980 1.00 0.00 C ATOM 560 O TRP A 35 3.108 15.888 -5.927 1.00 0.00 O ATOM 561 CB TRP A 35 4.019 16.325 -3.099 1.00 0.00 C ATOM 562 CG TRP A 35 5.004 15.216 -2.723 1.00 0.00 C ATOM 563 CD1 TRP A 35 5.156 14.617 -1.533 1.00 0.00 C ATOM 564 CD2 TRP A 35 5.973 14.596 -3.593 1.00 0.00 C ATOM 565 NE1 TRP A 35 6.149 13.658 -1.574 1.00 0.00 N ATOM 566 CE2 TRP A 35 6.662 13.645 -2.866 1.00 0.00 C ATOM 567 CE3 TRP A 35 6.260 14.830 -4.950 1.00 0.00 C ATOM 568 CZ2 TRP A 35 7.680 12.855 -3.410 1.00 0.00 C ATOM 569 CZ3 TRP A 35 7.281 14.031 -5.478 1.00 0.00 C ATOM 570 CH2 TRP A 35 7.983 13.070 -4.760 1.00 0.00 C ATOM 0 H TRP A 35 2.858 14.278 -2.159 1.00 0.00 H new ATOM 0 HA TRP A 35 2.004 16.686 -3.575 1.00 0.00 H new ATOM 0 HB2 TRP A 35 4.458 16.935 -3.888 1.00 0.00 H new ATOM 0 HB3 TRP A 35 3.874 16.976 -2.237 1.00 0.00 H new ATOM 0 HD1 TRP A 35 4.575 14.854 -0.654 1.00 0.00 H new ATOM 0 HE1 TRP A 35 6.451 13.068 -0.799 1.00 0.00 H new ATOM 0 HE3 TRP A 35 5.734 15.568 -5.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 8.205 12.118 -2.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 7.542 14.171 -6.517 1.00 0.00 H new ATOM 0 HH2 TRP A 35 8.758 12.492 -5.241 1.00 0.00 H new ATOM 581 N CYS A 36 2.261 13.973 -5.075 1.00 0.00 N ATOM 582 CA CYS A 36 2.241 13.282 -6.354 1.00 0.00 C ATOM 583 C CYS A 36 0.811 13.320 -6.897 1.00 0.00 C ATOM 584 O CYS A 36 -0.075 12.645 -6.373 1.00 0.00 O ATOM 585 CB CYS A 36 2.768 11.851 -6.233 1.00 0.00 C ATOM 586 SG CYS A 36 2.871 11.079 -7.889 1.00 0.00 S ATOM 0 H CYS A 36 1.920 13.422 -4.287 1.00 0.00 H new ATOM 0 HA CYS A 36 2.908 13.786 -7.053 1.00 0.00 H new ATOM 0 HB2 CYS A 36 3.752 11.856 -5.763 1.00 0.00 H new ATOM 0 HB3 CYS A 36 2.110 11.266 -5.590 1.00 0.00 H new ATOM 0 HG CYS A 36 2.512 9.832 -7.809 1.00 0.00 H new ATOM 592 N PRO A 37 0.626 14.134 -7.970 1.00 0.00 N ATOM 593 CA PRO A 37 -0.682 14.268 -8.592 1.00 0.00 C ATOM 594 C PRO A 37 -1.020 13.032 -9.427 1.00 0.00 C ATOM 595 O PRO A 37 -2.189 12.681 -9.578 1.00 0.00 O ATOM 596 CB PRO A 37 -0.596 15.540 -9.419 1.00 0.00 C ATOM 597 CG PRO A 37 0.887 15.817 -9.603 1.00 0.00 C ATOM 598 CD PRO A 37 1.651 14.946 -8.618 1.00 0.00 C ATOM 0 HA PRO A 37 -1.490 14.338 -7.864 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -1.092 15.415 -10.381 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -1.088 16.370 -8.912 1.00 0.00 H new ATOM 0 HG2 PRO A 37 1.193 15.595 -10.625 1.00 0.00 H new ATOM 0 HG3 PRO A 37 1.103 16.871 -9.428 1.00 0.00 H new ATOM 0 HD2 PRO A 37 2.386 14.323 -9.128 1.00 0.00 H new ATOM 0 HD3 PRO A 37 2.194 15.551 -7.892 1.00 0.00 H new ATOM 606 N LEU A 38 0.024 12.405 -9.949 1.00 0.00 N ATOM 607 CA LEU A 38 -0.149 11.215 -10.766 1.00 0.00 C ATOM 608 C LEU A 38 -0.651 10.067 -9.887 1.00 0.00 C ATOM 609 O LEU A 38 -1.380 9.195 -10.357 1.00 0.00 O ATOM 610 CB LEU A 38 1.142 10.893 -11.521 1.00 0.00 C ATOM 611 CG LEU A 38 1.048 9.778 -12.565 1.00 0.00 C ATOM 612 CD1 LEU A 38 1.444 8.429 -11.964 1.00 0.00 C ATOM 613 CD2 LEU A 38 -0.345 9.737 -13.197 1.00 0.00 C ATOM 0 H LEU A 38 0.993 12.698 -9.822 1.00 0.00 H new ATOM 0 HA LEU A 38 -0.906 11.384 -11.532 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.485 11.801 -12.018 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.906 10.619 -10.794 1.00 0.00 H new ATOM 0 HG LEU A 38 1.758 9.995 -13.363 1.00 0.00 H new ATOM 0 HD11 LEU A 38 1.368 7.654 -12.727 1.00 0.00 H new ATOM 0 HD12 LEU A 38 2.470 8.480 -11.599 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.776 8.189 -11.136 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.386 8.936 -13.935 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -1.091 9.555 -12.423 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -0.552 10.690 -13.683 1.00 0.00 H new ATOM 625 N CYS A 39 -0.241 10.105 -8.629 1.00 0.00 N ATOM 626 CA CYS A 39 -0.640 9.079 -7.681 1.00 0.00 C ATOM 627 C CYS A 39 -2.072 9.374 -7.228 1.00 0.00 C ATOM 628 O CYS A 39 -2.900 8.468 -7.148 1.00 0.00 O ATOM 629 CB CYS A 39 0.327 8.995 -6.497 1.00 0.00 C ATOM 630 SG CYS A 39 1.599 7.719 -6.819 1.00 0.00 S ATOM 0 H CYS A 39 0.364 10.830 -8.243 1.00 0.00 H new ATOM 0 HA CYS A 39 -0.606 8.102 -8.163 1.00 0.00 H new ATOM 0 HB2 CYS A 39 0.803 9.962 -6.336 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.220 8.753 -5.586 1.00 0.00 H new ATOM 0 HG CYS A 39 2.416 7.657 -5.810 1.00 0.00 H new ATOM 636 N LEU A 40 -2.319 10.644 -6.944 1.00 0.00 N ATOM 637 CA LEU A 40 -3.636 11.070 -6.501 1.00 0.00 C ATOM 638 C LEU A 40 -4.691 10.554 -7.483 1.00 0.00 C ATOM 639 O LEU A 40 -5.744 10.071 -7.071 1.00 0.00 O ATOM 640 CB LEU A 40 -3.671 12.586 -6.301 1.00 0.00 C ATOM 641 CG LEU A 40 -3.081 13.104 -4.988 1.00 0.00 C ATOM 642 CD1 LEU A 40 -2.396 14.456 -5.190 1.00 0.00 C ATOM 643 CD2 LEU A 40 -4.147 13.158 -3.892 1.00 0.00 C ATOM 0 H LEU A 40 -1.629 11.392 -7.012 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.868 10.639 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -3.135 13.054 -7.127 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.707 12.917 -6.366 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.315 12.403 -4.657 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.985 14.801 -4.241 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -1.591 14.351 -5.917 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.123 15.181 -5.556 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.702 13.530 -2.969 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.952 13.825 -4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.548 12.158 -3.725 1.00 0.00 H new ATOM 655 N SER A 41 -4.370 10.675 -8.763 1.00 0.00 N ATOM 656 CA SER A 41 -5.276 10.228 -9.807 1.00 0.00 C ATOM 657 C SER A 41 -5.387 8.701 -9.784 1.00 0.00 C ATOM 658 O SER A 41 -6.395 8.143 -10.213 1.00 0.00 O ATOM 659 CB SER A 41 -4.810 10.706 -11.182 1.00 0.00 C ATOM 660 OG SER A 41 -3.518 10.203 -11.515 1.00 0.00 O ATOM 0 H SER A 41 -3.495 11.076 -9.100 1.00 0.00 H new ATOM 0 HA SER A 41 -6.258 10.660 -9.617 1.00 0.00 H new ATOM 0 HB2 SER A 41 -5.528 10.389 -11.938 1.00 0.00 H new ATOM 0 HB3 SER A 41 -4.790 11.796 -11.199 1.00 0.00 H new ATOM 0 HG SER A 41 -3.072 9.883 -10.703 1.00 0.00 H new ATOM 666 N GLU A 42 -4.335 8.071 -9.282 1.00 0.00 N ATOM 667 CA GLU A 42 -4.302 6.621 -9.200 1.00 0.00 C ATOM 668 C GLU A 42 -5.001 6.146 -7.924 1.00 0.00 C ATOM 669 O GLU A 42 -5.466 5.009 -7.853 1.00 0.00 O ATOM 670 CB GLU A 42 -2.863 6.102 -9.262 1.00 0.00 C ATOM 671 CG GLU A 42 -2.789 4.786 -10.041 1.00 0.00 C ATOM 672 CD GLU A 42 -1.491 4.698 -10.843 1.00 0.00 C ATOM 673 OE1 GLU A 42 -0.431 5.127 -10.360 1.00 0.00 O ATOM 674 OE2 GLU A 42 -1.605 4.160 -12.011 1.00 0.00 O ATOM 0 H GLU A 42 -3.500 8.538 -8.928 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.838 6.215 -10.058 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.224 6.847 -9.737 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.482 5.953 -8.252 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -2.851 3.946 -9.350 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -3.643 4.709 -10.714 1.00 0.00 H new ATOM 682 N LEU A 43 -5.052 7.040 -6.947 1.00 0.00 N ATOM 683 CA LEU A 43 -5.687 6.726 -5.678 1.00 0.00 C ATOM 684 C LEU A 43 -7.070 6.125 -5.939 1.00 0.00 C ATOM 685 O LEU A 43 -7.374 5.032 -5.465 1.00 0.00 O ATOM 686 CB LEU A 43 -5.713 7.959 -4.773 1.00 0.00 C ATOM 687 CG LEU A 43 -4.363 8.408 -4.211 1.00 0.00 C ATOM 688 CD1 LEU A 43 -4.511 9.683 -3.379 1.00 0.00 C ATOM 689 CD2 LEU A 43 -3.699 7.281 -3.417 1.00 0.00 C ATOM 0 H LEU A 43 -4.664 7.981 -7.009 1.00 0.00 H new ATOM 0 HA LEU A 43 -5.110 5.975 -5.139 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -6.144 8.788 -5.334 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -6.383 7.757 -3.937 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.706 8.645 -5.048 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.536 9.980 -2.992 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -4.911 10.481 -4.004 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -5.191 9.498 -2.547 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -2.741 7.626 -3.028 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.344 6.991 -2.588 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -3.538 6.422 -4.069 1.00 0.00 H new ATOM 701 N GLY A 44 -7.869 6.866 -6.692 1.00 0.00 N ATOM 702 CA GLY A 44 -9.212 6.420 -7.021 1.00 0.00 C ATOM 703 C GLY A 44 -9.184 5.042 -7.686 1.00 0.00 C ATOM 704 O GLY A 44 -9.899 4.132 -7.268 1.00 0.00 O ATOM 0 H GLY A 44 -7.612 7.772 -7.084 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -9.817 6.379 -6.116 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.685 7.140 -7.688 1.00 0.00 H new ATOM 708 N GLN A 45 -8.353 4.932 -8.711 1.00 0.00 N ATOM 709 CA GLN A 45 -8.223 3.682 -9.438 1.00 0.00 C ATOM 710 C GLN A 45 -7.727 2.574 -8.506 1.00 0.00 C ATOM 711 O GLN A 45 -8.104 1.414 -8.660 1.00 0.00 O ATOM 712 CB GLN A 45 -7.292 3.842 -10.643 1.00 0.00 C ATOM 713 CG GLN A 45 -7.329 2.599 -11.534 1.00 0.00 C ATOM 714 CD GLN A 45 -8.404 2.731 -12.613 1.00 0.00 C ATOM 715 OE1 GLN A 45 -9.587 2.833 -12.338 1.00 0.00 O ATOM 716 NE2 GLN A 45 -7.928 2.721 -13.856 1.00 0.00 N ATOM 0 H GLN A 45 -7.762 5.689 -9.055 1.00 0.00 H new ATOM 0 HA GLN A 45 -9.206 3.400 -9.815 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -7.587 4.717 -11.222 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -6.273 4.017 -10.299 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -6.355 2.453 -12.002 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -7.526 1.716 -10.925 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -6.925 2.633 -14.017 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -8.567 2.802 -14.647 1.00 0.00 H new ATOM 725 N THR A 46 -6.890 2.972 -7.560 1.00 0.00 N ATOM 726 CA THR A 46 -6.341 2.027 -6.601 1.00 0.00 C ATOM 727 C THR A 46 -7.440 1.511 -5.671 1.00 0.00 C ATOM 728 O THR A 46 -7.418 0.351 -5.261 1.00 0.00 O ATOM 729 CB THR A 46 -5.192 2.718 -5.863 1.00 0.00 C ATOM 730 OG1 THR A 46 -4.191 2.891 -6.861 1.00 0.00 O ATOM 731 CG2 THR A 46 -4.532 1.808 -4.825 1.00 0.00 C ATOM 0 H THR A 46 -6.578 3.935 -7.436 1.00 0.00 H new ATOM 0 HA THR A 46 -5.942 1.144 -7.099 1.00 0.00 H new ATOM 0 HB THR A 46 -5.565 3.617 -5.372 1.00 0.00 H new ATOM 0 HG1 THR A 46 -4.375 3.707 -7.371 1.00 0.00 H new ATOM 0 HG21 THR A 46 -3.724 2.347 -4.330 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.272 1.504 -4.085 1.00 0.00 H new ATOM 0 HG23 THR A 46 -4.130 0.924 -5.320 1.00 0.00 H new ATOM 739 N GLU A 47 -8.374 2.398 -5.361 1.00 0.00 N ATOM 740 CA GLU A 47 -9.479 2.047 -4.486 1.00 0.00 C ATOM 741 C GLU A 47 -10.395 1.029 -5.170 1.00 0.00 C ATOM 742 O GLU A 47 -10.987 0.179 -4.507 1.00 0.00 O ATOM 743 CB GLU A 47 -10.260 3.291 -4.062 1.00 0.00 C ATOM 744 CG GLU A 47 -11.307 2.947 -3.000 1.00 0.00 C ATOM 745 CD GLU A 47 -11.908 4.216 -2.392 1.00 0.00 C ATOM 746 OE1 GLU A 47 -11.905 5.275 -3.038 1.00 0.00 O ATOM 747 OE2 GLU A 47 -12.392 4.075 -1.205 1.00 0.00 O ATOM 0 H GLU A 47 -8.388 3.360 -5.701 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.072 1.591 -3.584 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -9.572 4.040 -3.670 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -10.749 3.731 -4.931 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -12.098 2.343 -3.446 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.850 2.345 -2.215 1.00 0.00 H new ATOM 755 N LYS A 48 -10.481 1.150 -6.485 1.00 0.00 N ATOM 756 CA LYS A 48 -11.315 0.251 -7.267 1.00 0.00 C ATOM 757 C LYS A 48 -10.594 -1.086 -7.438 1.00 0.00 C ATOM 758 O LYS A 48 -11.233 -2.135 -7.514 1.00 0.00 O ATOM 759 CB LYS A 48 -11.717 0.908 -8.590 1.00 0.00 C ATOM 760 CG LYS A 48 -12.303 -0.122 -9.557 1.00 0.00 C ATOM 761 CD LYS A 48 -13.064 0.562 -10.693 1.00 0.00 C ATOM 762 CE LYS A 48 -14.541 0.737 -10.338 1.00 0.00 C ATOM 763 NZ LYS A 48 -14.840 2.156 -10.043 1.00 0.00 N ATOM 0 H LYS A 48 -9.987 1.857 -7.030 1.00 0.00 H new ATOM 0 HA LYS A 48 -12.249 0.045 -6.744 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.449 1.694 -8.402 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.847 1.384 -9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.502 -0.736 -9.969 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -12.973 -0.792 -9.018 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.618 1.535 -10.899 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -12.973 -0.030 -11.604 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -15.163 0.393 -11.164 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.789 0.120 -9.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -15.661 2.213 -9.407 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.016 2.597 -9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.054 2.657 -10.929 1.00 0.00 H new ATOM 776 N TRP A 49 -9.273 -1.007 -7.493 1.00 0.00 N ATOM 777 CA TRP A 49 -8.457 -2.200 -7.654 1.00 0.00 C ATOM 778 C TRP A 49 -8.383 -2.908 -6.300 1.00 0.00 C ATOM 779 O TRP A 49 -8.233 -4.127 -6.240 1.00 0.00 O ATOM 780 CB TRP A 49 -7.081 -1.850 -8.222 1.00 0.00 C ATOM 781 CG TRP A 49 -7.113 -1.352 -9.669 1.00 0.00 C ATOM 782 CD1 TRP A 49 -8.182 -1.174 -10.456 1.00 0.00 C ATOM 783 CD2 TRP A 49 -5.975 -0.975 -10.473 1.00 0.00 C ATOM 784 NE1 TRP A 49 -7.818 -0.711 -11.704 1.00 0.00 N ATOM 785 CE2 TRP A 49 -6.433 -0.586 -11.714 1.00 0.00 C ATOM 786 CE3 TRP A 49 -4.605 -0.962 -10.162 1.00 0.00 C ATOM 787 CZ2 TRP A 49 -5.589 -0.155 -12.745 1.00 0.00 C ATOM 788 CZ3 TRP A 49 -3.772 -0.530 -11.200 1.00 0.00 C ATOM 789 CH2 TRP A 49 -4.219 -0.135 -12.456 1.00 0.00 C ATOM 0 H TRP A 49 -8.747 -0.136 -7.429 1.00 0.00 H new ATOM 0 HA TRP A 49 -8.906 -2.880 -8.378 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -6.625 -1.084 -7.595 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.441 -2.731 -8.166 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -9.200 -1.368 -10.152 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -8.449 -0.499 -12.477 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -4.224 -1.262 -9.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.973 0.145 -13.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -2.709 -0.501 -11.013 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -3.512 0.186 -13.206 1.00 0.00 H new ATOM 800 N ALA A 50 -8.492 -2.113 -5.246 1.00 0.00 N ATOM 801 CA ALA A 50 -8.439 -2.648 -3.895 1.00 0.00 C ATOM 802 C ALA A 50 -9.777 -3.310 -3.561 1.00 0.00 C ATOM 803 O ALA A 50 -9.867 -4.095 -2.619 1.00 0.00 O ATOM 804 CB ALA A 50 -8.081 -1.530 -2.916 1.00 0.00 C ATOM 0 H ALA A 50 -8.617 -1.102 -5.300 1.00 0.00 H new ATOM 0 HA ALA A 50 -7.664 -3.411 -3.815 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -8.041 -1.932 -1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.109 -1.113 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.837 -0.747 -2.966 1.00 0.00 H new ATOM 810 N GLN A 51 -10.784 -2.968 -4.351 1.00 0.00 N ATOM 811 CA GLN A 51 -12.114 -3.519 -4.152 1.00 0.00 C ATOM 812 C GLN A 51 -12.459 -4.493 -5.278 1.00 0.00 C ATOM 813 O GLN A 51 -13.573 -5.014 -5.334 1.00 0.00 O ATOM 814 CB GLN A 51 -13.158 -2.407 -4.047 1.00 0.00 C ATOM 815 CG GLN A 51 -13.649 -1.984 -5.434 1.00 0.00 C ATOM 816 CD GLN A 51 -15.052 -2.530 -5.709 1.00 0.00 C ATOM 817 OE1 GLN A 51 -15.233 -3.532 -6.383 1.00 0.00 O ATOM 818 NE2 GLN A 51 -16.028 -1.820 -5.153 1.00 0.00 N ATOM 0 H GLN A 51 -10.706 -2.315 -5.131 1.00 0.00 H new ATOM 0 HA GLN A 51 -12.122 -4.068 -3.210 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.001 -2.750 -3.448 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.729 -1.548 -3.531 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.658 -0.896 -5.504 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -12.958 -2.347 -6.195 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.805 -0.992 -4.601 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -17.000 -2.103 -5.278 1.00 0.00 H new ATOM 827 N ASP A 52 -11.485 -4.710 -6.150 1.00 0.00 N ATOM 828 CA ASP A 52 -11.674 -5.612 -7.274 1.00 0.00 C ATOM 829 C ASP A 52 -11.677 -7.056 -6.767 1.00 0.00 C ATOM 830 O ASP A 52 -10.825 -7.439 -5.968 1.00 0.00 O ATOM 831 CB ASP A 52 -10.540 -5.472 -8.290 1.00 0.00 C ATOM 832 CG ASP A 52 -10.275 -6.714 -9.141 1.00 0.00 C ATOM 833 OD1 ASP A 52 -9.119 -7.108 -9.354 1.00 0.00 O ATOM 834 OD2 ASP A 52 -11.332 -7.293 -9.603 1.00 0.00 O ATOM 0 H ASP A 52 -10.563 -4.277 -6.101 1.00 0.00 H new ATOM 0 HA ASP A 52 -12.620 -5.360 -7.753 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -10.768 -4.638 -8.953 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -9.625 -5.214 -7.757 1.00 0.00 H new ATOM 840 N ALA A 53 -12.646 -7.817 -7.254 1.00 0.00 N ATOM 841 CA ALA A 53 -12.772 -9.210 -6.860 1.00 0.00 C ATOM 842 C ALA A 53 -11.438 -9.924 -7.090 1.00 0.00 C ATOM 843 O ALA A 53 -10.913 -10.572 -6.187 1.00 0.00 O ATOM 844 CB ALA A 53 -13.921 -9.858 -7.636 1.00 0.00 C ATOM 0 H ALA A 53 -13.351 -7.496 -7.917 1.00 0.00 H new ATOM 0 HA ALA A 53 -13.009 -9.288 -5.799 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -14.016 -10.903 -7.341 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -14.850 -9.333 -7.416 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -13.716 -9.800 -8.705 1.00 0.00 H new ATOM 850 N LYS A 54 -10.928 -9.779 -8.304 1.00 0.00 N ATOM 851 CA LYS A 54 -9.665 -10.401 -8.665 1.00 0.00 C ATOM 852 C LYS A 54 -8.623 -10.090 -7.587 1.00 0.00 C ATOM 853 O LYS A 54 -7.871 -10.971 -7.175 1.00 0.00 O ATOM 854 CB LYS A 54 -9.240 -9.976 -10.072 1.00 0.00 C ATOM 855 CG LYS A 54 -8.926 -11.194 -10.941 1.00 0.00 C ATOM 856 CD LYS A 54 -10.179 -12.040 -11.173 1.00 0.00 C ATOM 857 CE LYS A 54 -9.867 -13.532 -11.042 1.00 0.00 C ATOM 858 NZ LYS A 54 -11.015 -14.344 -11.502 1.00 0.00 N ATOM 0 H LYS A 54 -11.366 -9.240 -9.051 1.00 0.00 H new ATOM 0 HA LYS A 54 -9.772 -11.485 -8.704 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -10.034 -9.390 -10.534 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -8.363 -9.332 -10.012 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -8.521 -10.867 -11.899 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -8.158 -11.800 -10.460 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -10.948 -11.761 -10.453 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -10.582 -11.835 -12.165 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -8.982 -13.777 -11.629 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -9.637 -13.772 -10.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -10.786 -15.354 -11.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -11.851 -14.122 -10.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -11.216 -14.128 -12.499 1.00 0.00 H new ATOM 871 N PHE A 55 -8.612 -8.836 -7.163 1.00 0.00 N ATOM 872 CA PHE A 55 -7.676 -8.398 -6.143 1.00 0.00 C ATOM 873 C PHE A 55 -8.126 -8.853 -4.753 1.00 0.00 C ATOM 874 O PHE A 55 -7.302 -9.044 -3.860 1.00 0.00 O ATOM 875 CB PHE A 55 -7.653 -6.868 -6.182 1.00 0.00 C ATOM 876 CG PHE A 55 -6.285 -6.275 -6.526 1.00 0.00 C ATOM 877 CD1 PHE A 55 -5.167 -6.743 -5.912 1.00 0.00 C ATOM 878 CD2 PHE A 55 -6.189 -5.279 -7.448 1.00 0.00 C ATOM 879 CE1 PHE A 55 -3.897 -6.192 -6.231 1.00 0.00 C ATOM 880 CE2 PHE A 55 -4.919 -4.728 -7.768 1.00 0.00 C ATOM 881 CZ PHE A 55 -3.801 -5.196 -7.152 1.00 0.00 C ATOM 0 H PHE A 55 -9.238 -8.108 -7.508 1.00 0.00 H new ATOM 0 HA PHE A 55 -6.692 -8.825 -6.335 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -8.382 -6.522 -6.915 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -7.970 -6.485 -5.212 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -5.244 -7.534 -5.181 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -7.078 -4.907 -7.936 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.008 -6.564 -5.742 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -4.842 -3.938 -8.500 1.00 0.00 H new ATOM 0 HZ PHE A 55 -2.836 -4.776 -7.394 1.00 0.00 H new ATOM 891 N SER A 56 -9.433 -9.016 -4.614 1.00 0.00 N ATOM 892 CA SER A 56 -10.004 -9.446 -3.349 1.00 0.00 C ATOM 893 C SER A 56 -9.202 -10.621 -2.786 1.00 0.00 C ATOM 894 O SER A 56 -9.030 -10.736 -1.574 1.00 0.00 O ATOM 895 CB SER A 56 -11.474 -9.837 -3.512 1.00 0.00 C ATOM 896 OG SER A 56 -12.121 -10.017 -2.254 1.00 0.00 O ATOM 0 H SER A 56 -10.114 -8.858 -5.357 1.00 0.00 H new ATOM 0 HA SER A 56 -9.954 -8.611 -2.650 1.00 0.00 H new ATOM 0 HB2 SER A 56 -11.994 -9.065 -4.080 1.00 0.00 H new ATOM 0 HB3 SER A 56 -11.542 -10.759 -4.090 1.00 0.00 H new ATOM 0 HG SER A 56 -13.058 -10.264 -2.400 1.00 0.00 H new ATOM 902 N SER A 57 -8.731 -11.465 -3.694 1.00 0.00 N ATOM 903 CA SER A 57 -7.951 -12.626 -3.303 1.00 0.00 C ATOM 904 C SER A 57 -6.888 -12.223 -2.280 1.00 0.00 C ATOM 905 O SER A 57 -6.896 -12.702 -1.147 1.00 0.00 O ATOM 906 CB SER A 57 -7.296 -13.284 -4.518 1.00 0.00 C ATOM 907 OG SER A 57 -7.978 -14.469 -4.917 1.00 0.00 O ATOM 0 H SER A 57 -8.875 -11.367 -4.699 1.00 0.00 H new ATOM 0 HA SER A 57 -8.625 -13.353 -2.849 1.00 0.00 H new ATOM 0 HB2 SER A 57 -7.281 -12.578 -5.348 1.00 0.00 H new ATOM 0 HB3 SER A 57 -6.259 -13.524 -4.285 1.00 0.00 H new ATOM 0 HG SER A 57 -7.529 -14.858 -5.697 1.00 0.00 H new ATOM 913 N ALA A 58 -5.997 -11.343 -2.716 1.00 0.00 N ATOM 914 CA ALA A 58 -4.929 -10.870 -1.852 1.00 0.00 C ATOM 915 C ALA A 58 -5.332 -9.528 -1.237 1.00 0.00 C ATOM 916 O ALA A 58 -6.287 -8.897 -1.690 1.00 0.00 O ATOM 917 CB ALA A 58 -3.628 -10.777 -2.652 1.00 0.00 C ATOM 0 H ALA A 58 -5.993 -10.946 -3.656 1.00 0.00 H new ATOM 0 HA ALA A 58 -4.760 -11.570 -1.034 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.827 -10.422 -2.004 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -3.370 -11.761 -3.042 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -3.759 -10.081 -3.481 1.00 0.00 H new ATOM 923 N ASN A 59 -4.587 -9.133 -0.217 1.00 0.00 N ATOM 924 CA ASN A 59 -4.855 -7.877 0.464 1.00 0.00 C ATOM 925 C ASN A 59 -4.086 -6.751 -0.229 1.00 0.00 C ATOM 926 O ASN A 59 -2.886 -6.872 -0.474 1.00 0.00 O ATOM 927 CB ASN A 59 -4.397 -7.933 1.923 1.00 0.00 C ATOM 928 CG ASN A 59 -4.984 -9.154 2.635 1.00 0.00 C ATOM 929 OD1 ASN A 59 -6.103 -9.570 2.389 1.00 0.00 O ATOM 930 ND2 ASN A 59 -4.165 -9.702 3.529 1.00 0.00 N ATOM 0 H ASN A 59 -3.797 -9.660 0.156 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.930 -7.698 0.429 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -3.308 -7.971 1.965 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.704 -7.024 2.440 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -4.462 -10.522 4.058 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -3.240 -9.302 3.686 1.00 0.00 H new ATOM 937 N LEU A 60 -4.808 -5.680 -0.527 1.00 0.00 N ATOM 938 CA LEU A 60 -4.208 -4.534 -1.187 1.00 0.00 C ATOM 939 C LEU A 60 -4.385 -3.294 -0.309 1.00 0.00 C ATOM 940 O LEU A 60 -5.501 -2.969 0.096 1.00 0.00 O ATOM 941 CB LEU A 60 -4.774 -4.372 -2.599 1.00 0.00 C ATOM 942 CG LEU A 60 -4.027 -3.401 -3.515 1.00 0.00 C ATOM 943 CD1 LEU A 60 -4.538 -3.501 -4.954 1.00 0.00 C ATOM 944 CD2 LEU A 60 -4.104 -1.971 -2.977 1.00 0.00 C ATOM 0 H LEU A 60 -5.803 -5.583 -0.323 1.00 0.00 H new ATOM 0 HA LEU A 60 -3.136 -4.686 -1.313 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.790 -5.351 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.809 -4.040 -2.518 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.974 -3.684 -3.527 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -3.990 -2.800 -5.584 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.388 -4.515 -5.324 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.600 -3.259 -4.981 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.565 -1.301 -3.647 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.147 -1.661 -2.916 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -3.655 -1.931 -1.985 1.00 0.00 H new ATOM 956 N ILE A 61 -3.268 -2.635 -0.038 1.00 0.00 N ATOM 957 CA ILE A 61 -3.286 -1.438 0.786 1.00 0.00 C ATOM 958 C ILE A 61 -2.139 -0.516 0.365 1.00 0.00 C ATOM 959 O ILE A 61 -1.189 -0.958 -0.282 1.00 0.00 O ATOM 960 CB ILE A 61 -3.262 -1.809 2.271 1.00 0.00 C ATOM 961 CG1 ILE A 61 -1.890 -2.347 2.680 1.00 0.00 C ATOM 962 CG2 ILE A 61 -4.387 -2.791 2.608 1.00 0.00 C ATOM 963 CD1 ILE A 61 -0.971 -1.212 3.137 1.00 0.00 C ATOM 0 H ILE A 61 -2.344 -2.907 -0.374 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.213 -0.885 0.633 1.00 0.00 H new ATOM 0 HB ILE A 61 -3.439 -0.904 2.852 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -2.005 -3.073 3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.436 -2.872 1.840 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -4.348 -3.039 3.669 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.350 -2.335 2.377 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.265 -3.700 2.018 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -0.002 -1.621 3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -0.839 -0.500 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -1.417 -0.705 3.993 1.00 0.00 H new ATOM 975 N THR A 62 -2.265 0.745 0.748 1.00 0.00 N ATOM 976 CA THR A 62 -1.251 1.732 0.418 1.00 0.00 C ATOM 977 C THR A 62 -0.492 2.159 1.676 1.00 0.00 C ATOM 978 O THR A 62 -1.005 2.034 2.786 1.00 0.00 O ATOM 979 CB THR A 62 -1.939 2.895 -0.300 1.00 0.00 C ATOM 980 OG1 THR A 62 -2.747 3.496 0.709 1.00 0.00 O ATOM 981 CG2 THR A 62 -2.945 2.421 -1.352 1.00 0.00 C ATOM 0 H THR A 62 -3.054 1.107 1.284 1.00 0.00 H new ATOM 0 HA THR A 62 -0.499 1.316 -0.252 1.00 0.00 H new ATOM 0 HB THR A 62 -1.187 3.524 -0.776 1.00 0.00 H new ATOM 0 HG1 THR A 62 -3.690 3.287 0.541 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.405 3.285 -1.831 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.431 1.820 -2.102 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.717 1.819 -0.872 1.00 0.00 H new ATOM 989 N VAL A 63 0.718 2.651 1.460 1.00 0.00 N ATOM 990 CA VAL A 63 1.554 3.096 2.562 1.00 0.00 C ATOM 991 C VAL A 63 2.027 4.526 2.292 1.00 0.00 C ATOM 992 O VAL A 63 2.326 4.881 1.154 1.00 0.00 O ATOM 993 CB VAL A 63 2.709 2.114 2.773 1.00 0.00 C ATOM 994 CG1 VAL A 63 3.914 2.812 3.408 1.00 0.00 C ATOM 995 CG2 VAL A 63 2.263 0.917 3.613 1.00 0.00 C ATOM 0 H VAL A 63 1.140 2.752 0.537 1.00 0.00 H new ATOM 0 HA VAL A 63 0.985 3.112 3.491 1.00 0.00 H new ATOM 0 HB VAL A 63 3.015 1.742 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 63 4.720 2.092 3.547 1.00 0.00 H new ATOM 0 HG12 VAL A 63 4.254 3.616 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 63 3.627 3.226 4.375 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.102 0.235 3.748 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.917 1.264 4.587 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.451 0.398 3.104 1.00 0.00 H new ATOM 1005 N ALA A 64 2.080 5.309 3.361 1.00 0.00 N ATOM 1006 CA ALA A 64 2.511 6.692 3.256 1.00 0.00 C ATOM 1007 C ALA A 64 3.514 6.995 4.370 1.00 0.00 C ATOM 1008 O ALA A 64 3.419 6.441 5.464 1.00 0.00 O ATOM 1009 CB ALA A 64 1.289 7.612 3.303 1.00 0.00 C ATOM 0 H ALA A 64 1.831 5.011 4.304 1.00 0.00 H new ATOM 0 HA ALA A 64 3.014 6.867 2.305 1.00 0.00 H new ATOM 0 HB1 ALA A 64 1.612 8.650 3.224 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.623 7.375 2.473 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.760 7.467 4.245 1.00 0.00 H new ATOM 1015 N SER A 65 4.453 7.875 4.052 1.00 0.00 N ATOM 1016 CA SER A 65 5.474 8.258 5.013 1.00 0.00 C ATOM 1017 C SER A 65 5.423 9.768 5.255 1.00 0.00 C ATOM 1018 O SER A 65 5.800 10.553 4.387 1.00 0.00 O ATOM 1019 CB SER A 65 6.866 7.845 4.533 1.00 0.00 C ATOM 1020 OG SER A 65 7.165 8.372 3.244 1.00 0.00 O ATOM 0 H SER A 65 4.528 8.333 3.144 1.00 0.00 H new ATOM 0 HA SER A 65 5.274 7.738 5.950 1.00 0.00 H new ATOM 0 HB2 SER A 65 7.613 8.190 5.248 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.931 6.757 4.504 1.00 0.00 H new ATOM 0 HG SER A 65 7.293 7.635 2.611 1.00 0.00 H new ATOM 1026 N PRO A 66 4.940 10.140 6.472 1.00 0.00 N ATOM 1027 CA PRO A 66 4.835 11.542 6.839 1.00 0.00 C ATOM 1028 C PRO A 66 6.210 12.127 7.166 1.00 0.00 C ATOM 1029 O PRO A 66 7.012 11.493 7.851 1.00 0.00 O ATOM 1030 CB PRO A 66 3.882 11.568 8.022 1.00 0.00 C ATOM 1031 CG PRO A 66 3.852 10.148 8.565 1.00 0.00 C ATOM 1032 CD PRO A 66 4.484 9.238 7.525 1.00 0.00 C ATOM 0 HA PRO A 66 4.457 12.163 6.027 1.00 0.00 H new ATOM 0 HB2 PRO A 66 4.223 12.270 8.783 1.00 0.00 H new ATOM 0 HB3 PRO A 66 2.887 11.890 7.715 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.397 10.088 9.507 1.00 0.00 H new ATOM 0 HG3 PRO A 66 2.827 9.839 8.770 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.313 8.670 7.947 1.00 0.00 H new ATOM 0 HD3 PRO A 66 3.764 8.514 7.142 1.00 0.00 H new ATOM 1040 N GLY A 67 6.441 13.331 6.663 1.00 0.00 N ATOM 1041 CA GLY A 67 7.705 14.008 6.893 1.00 0.00 C ATOM 1042 C GLY A 67 8.846 13.305 6.158 1.00 0.00 C ATOM 1043 O GLY A 67 10.016 13.605 6.391 1.00 0.00 O ATOM 0 H GLY A 67 5.774 13.855 6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 67 7.634 15.042 6.556 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.918 14.034 7.962 1.00 0.00 H new ATOM 1047 N PHE A 68 8.467 12.382 5.286 1.00 0.00 N ATOM 1048 CA PHE A 68 9.445 11.633 4.516 1.00 0.00 C ATOM 1049 C PHE A 68 9.183 11.773 3.015 1.00 0.00 C ATOM 1050 O PHE A 68 8.057 11.584 2.557 1.00 0.00 O ATOM 1051 CB PHE A 68 9.295 10.163 4.913 1.00 0.00 C ATOM 1052 CG PHE A 68 10.556 9.326 4.685 1.00 0.00 C ATOM 1053 CD1 PHE A 68 10.776 8.744 3.475 1.00 0.00 C ATOM 1054 CD2 PHE A 68 11.457 9.165 5.690 1.00 0.00 C ATOM 1055 CE1 PHE A 68 11.945 7.967 3.264 1.00 0.00 C ATOM 1056 CE2 PHE A 68 12.627 8.387 5.478 1.00 0.00 C ATOM 1057 CZ PHE A 68 12.845 7.806 4.268 1.00 0.00 C ATOM 0 H PHE A 68 7.496 12.136 5.096 1.00 0.00 H new ATOM 0 HA PHE A 68 10.448 12.009 4.720 1.00 0.00 H new ATOM 0 HB2 PHE A 68 9.020 10.108 5.966 1.00 0.00 H new ATOM 0 HB3 PHE A 68 8.473 9.726 4.346 1.00 0.00 H new ATOM 0 HD1 PHE A 68 10.062 8.873 2.675 1.00 0.00 H new ATOM 0 HD2 PHE A 68 11.284 9.629 6.650 1.00 0.00 H new ATOM 0 HE1 PHE A 68 12.119 7.503 2.304 1.00 0.00 H new ATOM 0 HE2 PHE A 68 13.342 8.257 6.277 1.00 0.00 H new ATOM 0 HZ PHE A 68 13.735 7.216 4.105 1.00 0.00 H new ATOM 1067 N LEU A 69 10.242 12.102 2.291 1.00 0.00 N ATOM 1068 CA LEU A 69 10.142 12.269 0.850 1.00 0.00 C ATOM 1069 C LEU A 69 9.316 13.520 0.543 1.00 0.00 C ATOM 1070 O LEU A 69 8.402 13.479 -0.278 1.00 0.00 O ATOM 1071 CB LEU A 69 9.596 10.997 0.200 1.00 0.00 C ATOM 1072 CG LEU A 69 10.632 10.074 -0.445 1.00 0.00 C ATOM 1073 CD1 LEU A 69 11.242 10.719 -1.689 1.00 0.00 C ATOM 1074 CD2 LEU A 69 11.702 9.660 0.569 1.00 0.00 C ATOM 0 H LEU A 69 11.174 12.258 2.675 1.00 0.00 H new ATOM 0 HA LEU A 69 11.129 12.423 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 69 9.055 10.430 0.957 1.00 0.00 H new ATOM 0 HB3 LEU A 69 8.871 11.285 -0.561 1.00 0.00 H new ATOM 0 HG LEU A 69 10.125 9.165 -0.770 1.00 0.00 H new ATOM 0 HD11 LEU A 69 11.975 10.042 -2.128 1.00 0.00 H new ATOM 0 HD12 LEU A 69 10.456 10.923 -2.416 1.00 0.00 H new ATOM 0 HD13 LEU A 69 11.731 11.653 -1.412 1.00 0.00 H new ATOM 0 HD21 LEU A 69 12.427 9.004 0.086 1.00 0.00 H new ATOM 0 HD22 LEU A 69 12.210 10.548 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.232 9.133 1.399 1.00 0.00 H new ATOM 1086 N HIS A 70 9.671 14.604 1.218 1.00 0.00 N ATOM 1087 CA HIS A 70 8.973 15.865 1.027 1.00 0.00 C ATOM 1088 C HIS A 70 7.473 15.657 1.230 1.00 0.00 C ATOM 1089 O HIS A 70 6.661 16.438 0.732 1.00 0.00 O ATOM 1090 CB HIS A 70 9.311 16.471 -0.337 1.00 0.00 C ATOM 1091 CG HIS A 70 10.555 17.326 -0.339 1.00 0.00 C ATOM 1092 ND1 HIS A 70 10.622 18.557 0.289 1.00 0.00 N ATOM 1093 CD2 HIS A 70 11.782 17.113 -0.897 1.00 0.00 C ATOM 1094 CE1 HIS A 70 11.835 19.056 0.110 1.00 0.00 C ATOM 1095 NE2 HIS A 70 12.553 18.159 -0.626 1.00 0.00 N ATOM 0 H HIS A 70 10.432 14.635 1.897 1.00 0.00 H new ATOM 0 HA HIS A 70 9.307 16.587 1.772 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.436 15.665 -1.060 1.00 0.00 H new ATOM 0 HB3 HIS A 70 8.468 17.074 -0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 70 12.076 16.241 -1.463 1.00 0.00 H new ATOM 0 HE1 HIS A 70 12.193 20.005 0.481 1.00 0.00 H new ATOM 0 HE2 HIS A 70 13.523 18.273 -0.920 1.00 0.00 H new ATOM 1104 N GLU A 71 7.146 14.601 1.959 1.00 0.00 N ATOM 1105 CA GLU A 71 5.755 14.281 2.234 1.00 0.00 C ATOM 1106 C GLU A 71 5.249 15.091 3.427 1.00 0.00 C ATOM 1107 O GLU A 71 6.026 15.462 4.306 1.00 0.00 O ATOM 1108 CB GLU A 71 5.576 12.780 2.473 1.00 0.00 C ATOM 1109 CG GLU A 71 4.111 12.442 2.759 1.00 0.00 C ATOM 1110 CD GLU A 71 3.239 12.699 1.528 1.00 0.00 C ATOM 1111 OE1 GLU A 71 3.137 13.846 1.068 1.00 0.00 O ATOM 1112 OE2 GLU A 71 2.656 11.655 1.046 1.00 0.00 O ATOM 0 H GLU A 71 7.821 13.955 2.368 1.00 0.00 H new ATOM 0 HA GLU A 71 5.161 14.550 1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.917 12.226 1.599 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.196 12.465 3.312 1.00 0.00 H new ATOM 0 HG2 GLU A 71 4.027 11.397 3.057 1.00 0.00 H new ATOM 0 HG3 GLU A 71 3.752 13.042 3.595 1.00 0.00 H new ATOM 1120 N LYS A 72 3.948 15.345 3.422 1.00 0.00 N ATOM 1121 CA LYS A 72 3.329 16.105 4.494 1.00 0.00 C ATOM 1122 C LYS A 72 3.543 15.376 5.822 1.00 0.00 C ATOM 1123 O LYS A 72 3.407 14.155 5.892 1.00 0.00 O ATOM 1124 CB LYS A 72 1.858 16.382 4.174 1.00 0.00 C ATOM 1125 CG LYS A 72 1.702 17.697 3.410 1.00 0.00 C ATOM 1126 CD LYS A 72 1.771 18.896 4.359 1.00 0.00 C ATOM 1127 CE LYS A 72 0.623 19.872 4.092 1.00 0.00 C ATOM 1128 NZ LYS A 72 1.001 21.241 4.507 1.00 0.00 N ATOM 0 H LYS A 72 3.306 15.037 2.692 1.00 0.00 H new ATOM 0 HA LYS A 72 3.801 17.083 4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 72 1.450 15.563 3.582 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.283 16.424 5.099 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.486 17.779 2.657 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.749 17.703 2.880 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.727 18.550 5.392 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.725 19.408 4.235 1.00 0.00 H new ATOM 0 HE2 LYS A 72 0.370 19.864 3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -0.267 19.554 4.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.211 21.891 4.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 1.221 21.247 5.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.837 21.548 3.970 1.00 0.00 H new ATOM 1141 N LYS A 73 3.875 16.153 6.840 1.00 0.00 N ATOM 1142 CA LYS A 73 4.109 15.596 8.162 1.00 0.00 C ATOM 1143 C LYS A 73 2.815 14.961 8.681 1.00 0.00 C ATOM 1144 O LYS A 73 1.740 15.199 8.132 1.00 0.00 O ATOM 1145 CB LYS A 73 4.690 16.657 9.097 1.00 0.00 C ATOM 1146 CG LYS A 73 6.066 16.238 9.616 1.00 0.00 C ATOM 1147 CD LYS A 73 6.756 17.395 10.342 1.00 0.00 C ATOM 1148 CE LYS A 73 7.337 18.400 9.344 1.00 0.00 C ATOM 1149 NZ LYS A 73 8.248 19.342 10.031 1.00 0.00 N ATOM 0 H LYS A 73 3.988 17.165 6.777 1.00 0.00 H new ATOM 0 HA LYS A 73 4.857 14.804 8.113 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.771 17.607 8.569 1.00 0.00 H new ATOM 0 HB3 LYS A 73 4.014 16.816 9.937 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.960 15.391 10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.686 15.905 8.784 1.00 0.00 H new ATOM 0 HD2 LYS A 73 6.042 17.897 10.995 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.552 17.007 10.978 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.876 17.871 8.558 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.530 18.951 8.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 8.634 20.017 9.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 7.723 19.859 10.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 9.028 18.813 10.471 1.00 0.00 H new ATOM 1162 N ASP A 74 2.963 14.167 9.731 1.00 0.00 N ATOM 1163 CA ASP A 74 1.820 13.497 10.329 1.00 0.00 C ATOM 1164 C ASP A 74 0.751 14.536 10.675 1.00 0.00 C ATOM 1165 O ASP A 74 1.042 15.727 10.766 1.00 0.00 O ATOM 1166 CB ASP A 74 2.217 12.778 11.619 1.00 0.00 C ATOM 1167 CG ASP A 74 1.062 12.492 12.581 1.00 0.00 C ATOM 1168 OD1 ASP A 74 0.666 13.356 13.379 1.00 0.00 O ATOM 1169 OD2 ASP A 74 0.556 11.309 12.488 1.00 0.00 O ATOM 0 H ASP A 74 3.856 13.972 10.183 1.00 0.00 H new ATOM 0 HA ASP A 74 1.442 12.768 9.612 1.00 0.00 H new ATOM 0 HB2 ASP A 74 2.695 11.834 11.359 1.00 0.00 H new ATOM 0 HB3 ASP A 74 2.962 13.380 12.139 1.00 0.00 H new ATOM 1175 N GLY A 75 -0.466 14.045 10.857 1.00 0.00 N ATOM 1176 CA GLY A 75 -1.581 14.915 11.192 1.00 0.00 C ATOM 1177 C GLY A 75 -2.084 15.663 9.954 1.00 0.00 C ATOM 1178 O GLY A 75 -3.273 15.628 9.642 1.00 0.00 O ATOM 0 H GLY A 75 -0.705 13.056 10.779 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.392 14.325 11.619 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -1.272 15.631 11.954 1.00 0.00 H new ATOM 1182 N ASP A 76 -1.151 16.323 9.284 1.00 0.00 N ATOM 1183 CA ASP A 76 -1.483 17.078 8.088 1.00 0.00 C ATOM 1184 C ASP A 76 -2.040 16.127 7.026 1.00 0.00 C ATOM 1185 O ASP A 76 -3.116 16.361 6.481 1.00 0.00 O ATOM 1186 CB ASP A 76 -0.244 17.763 7.507 1.00 0.00 C ATOM 1187 CG ASP A 76 -0.198 19.281 7.689 1.00 0.00 C ATOM 1188 OD1 ASP A 76 -1.219 19.972 7.553 1.00 0.00 O ATOM 1189 OD2 ASP A 76 0.961 19.760 7.990 1.00 0.00 O ATOM 0 H ASP A 76 -0.166 16.351 9.546 1.00 0.00 H new ATOM 0 HA ASP A 76 -2.219 17.835 8.361 1.00 0.00 H new ATOM 0 HB2 ASP A 76 0.643 17.330 7.970 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.189 17.538 6.442 1.00 0.00 H new ATOM 1195 N PHE A 77 -1.279 15.074 6.764 1.00 0.00 N ATOM 1196 CA PHE A 77 -1.681 14.087 5.778 1.00 0.00 C ATOM 1197 C PHE A 77 -3.025 13.456 6.151 1.00 0.00 C ATOM 1198 O PHE A 77 -3.766 13.003 5.280 1.00 0.00 O ATOM 1199 CB PHE A 77 -0.605 12.999 5.768 1.00 0.00 C ATOM 1200 CG PHE A 77 -0.752 11.988 4.629 1.00 0.00 C ATOM 1201 CD1 PHE A 77 -0.427 12.345 3.358 1.00 0.00 C ATOM 1202 CD2 PHE A 77 -1.208 10.734 4.889 1.00 0.00 C ATOM 1203 CE1 PHE A 77 -0.564 11.407 2.300 1.00 0.00 C ATOM 1204 CE2 PHE A 77 -1.346 9.796 3.830 1.00 0.00 C ATOM 1205 CZ PHE A 77 -1.019 10.153 2.560 1.00 0.00 C ATOM 0 H PHE A 77 -0.386 14.884 7.218 1.00 0.00 H new ATOM 0 HA PHE A 77 -1.790 14.559 4.802 1.00 0.00 H new ATOM 0 HB2 PHE A 77 0.374 13.472 5.696 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -0.633 12.466 6.719 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -0.065 13.342 3.153 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -1.465 10.451 5.899 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -0.307 11.690 1.290 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.711 8.800 4.034 1.00 0.00 H new ATOM 0 HZ PHE A 77 -1.121 9.439 1.756 1.00 0.00 H new ATOM 1215 N GLN A 78 -3.297 13.445 7.447 1.00 0.00 N ATOM 1216 CA GLN A 78 -4.538 12.877 7.947 1.00 0.00 C ATOM 1217 C GLN A 78 -5.723 13.762 7.555 1.00 0.00 C ATOM 1218 O GLN A 78 -6.833 13.270 7.362 1.00 0.00 O ATOM 1219 CB GLN A 78 -4.480 12.679 9.462 1.00 0.00 C ATOM 1220 CG GLN A 78 -3.105 12.166 9.897 1.00 0.00 C ATOM 1221 CD GLN A 78 -3.149 11.622 11.326 1.00 0.00 C ATOM 1222 OE1 GLN A 78 -2.391 12.021 12.193 1.00 0.00 O ATOM 1223 NE2 GLN A 78 -4.076 10.688 11.521 1.00 0.00 N ATOM 0 H GLN A 78 -2.679 13.820 8.167 1.00 0.00 H new ATOM 0 HA GLN A 78 -4.675 11.897 7.491 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -4.695 13.622 9.964 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -5.250 11.971 9.769 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -2.773 11.382 9.216 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -2.375 12.973 9.834 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -4.679 10.399 10.751 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -4.184 10.261 12.441 1.00 0.00 H new ATOM 1232 N LYS A 79 -5.445 15.053 7.447 1.00 0.00 N ATOM 1233 CA LYS A 79 -6.475 16.011 7.081 1.00 0.00 C ATOM 1234 C LYS A 79 -6.658 16.001 5.561 1.00 0.00 C ATOM 1235 O LYS A 79 -7.777 16.120 5.067 1.00 0.00 O ATOM 1236 CB LYS A 79 -6.148 17.393 7.652 1.00 0.00 C ATOM 1237 CG LYS A 79 -6.934 17.654 8.938 1.00 0.00 C ATOM 1238 CD LYS A 79 -7.915 18.813 8.755 1.00 0.00 C ATOM 1239 CE LYS A 79 -8.006 19.662 10.025 1.00 0.00 C ATOM 1240 NZ LYS A 79 -7.038 20.780 9.971 1.00 0.00 N ATOM 0 H LYS A 79 -4.522 15.458 7.606 1.00 0.00 H new ATOM 0 HA LYS A 79 -7.432 15.728 7.520 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -5.079 17.463 7.854 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -6.384 18.160 6.915 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -7.478 16.754 9.225 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -6.244 17.882 9.750 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -7.595 19.436 7.919 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -8.901 18.423 8.503 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -9.017 20.054 10.136 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -7.806 19.042 10.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -7.113 21.346 10.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -6.073 20.400 9.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -7.247 21.380 9.148 1.00 0.00 H new ATOM 1253 N TRP A 80 -5.540 15.859 4.864 1.00 0.00 N ATOM 1254 CA TRP A 80 -5.564 15.831 3.412 1.00 0.00 C ATOM 1255 C TRP A 80 -6.374 14.609 2.974 1.00 0.00 C ATOM 1256 O TRP A 80 -7.236 14.712 2.101 1.00 0.00 O ATOM 1257 CB TRP A 80 -4.144 15.843 2.840 1.00 0.00 C ATOM 1258 CG TRP A 80 -4.088 15.948 1.315 1.00 0.00 C ATOM 1259 CD1 TRP A 80 -4.818 15.276 0.414 1.00 0.00 C ATOM 1260 CD2 TRP A 80 -3.223 16.807 0.543 1.00 0.00 C ATOM 1261 NE1 TRP A 80 -4.487 15.638 -0.876 1.00 0.00 N ATOM 1262 CE2 TRP A 80 -3.487 16.599 -0.795 1.00 0.00 C ATOM 1263 CE3 TRP A 80 -2.249 17.731 0.962 1.00 0.00 C ATOM 1264 CZ2 TRP A 80 -2.820 17.276 -1.822 1.00 0.00 C ATOM 1265 CZ3 TRP A 80 -1.592 18.399 -0.077 1.00 0.00 C ATOM 1266 CH2 TRP A 80 -1.845 18.201 -1.428 1.00 0.00 C ATOM 0 H TRP A 80 -4.613 15.762 5.278 1.00 0.00 H new ATOM 0 HA TRP A 80 -6.045 16.726 3.018 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.597 16.681 3.272 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.631 14.933 3.150 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -5.571 14.543 0.666 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -4.901 15.268 -1.732 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -2.026 17.911 2.003 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -3.045 17.095 -2.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -0.834 19.120 0.191 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -1.293 18.757 -2.171 1.00 0.00 H new ATOM 1383 N LYS A 88 -13.329 3.694 1.668 1.00 0.00 N ATOM 1384 CA LYS A 88 -13.277 2.364 1.085 1.00 0.00 C ATOM 1385 C LYS A 88 -11.900 2.140 0.456 1.00 0.00 C ATOM 1386 O LYS A 88 -11.706 1.190 -0.300 1.00 0.00 O ATOM 1387 CB LYS A 88 -14.438 2.160 0.110 1.00 0.00 C ATOM 1388 CG LYS A 88 -15.113 0.805 0.338 1.00 0.00 C ATOM 1389 CD LYS A 88 -16.502 0.770 -0.303 1.00 0.00 C ATOM 1390 CE LYS A 88 -17.595 0.978 0.746 1.00 0.00 C ATOM 1391 NZ LYS A 88 -18.575 -0.130 0.700 1.00 0.00 N ATOM 0 HA LYS A 88 -13.402 1.605 1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.168 2.960 0.235 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -14.072 2.220 -0.915 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -14.495 0.011 -0.082 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.197 0.612 1.407 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.574 1.545 -1.067 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -16.651 -0.186 -0.804 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.148 1.035 1.739 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.101 1.927 0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.310 0.027 1.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -19.014 -0.166 -0.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.090 -1.030 0.891 1.00 0.00 H new ATOM 1404 N LEU A 89 -10.980 3.034 0.791 1.00 0.00 N ATOM 1405 CA LEU A 89 -9.628 2.946 0.269 1.00 0.00 C ATOM 1406 C LEU A 89 -8.652 2.710 1.425 1.00 0.00 C ATOM 1407 O LEU A 89 -8.658 3.452 2.405 1.00 0.00 O ATOM 1408 CB LEU A 89 -9.297 4.181 -0.573 1.00 0.00 C ATOM 1409 CG LEU A 89 -7.818 4.565 -0.648 1.00 0.00 C ATOM 1410 CD1 LEU A 89 -7.047 3.601 -1.551 1.00 0.00 C ATOM 1411 CD2 LEU A 89 -7.651 6.022 -1.089 1.00 0.00 C ATOM 0 H LEU A 89 -11.145 3.822 1.417 1.00 0.00 H new ATOM 0 HA LEU A 89 -9.535 2.094 -0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -9.660 4.013 -1.587 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -9.852 5.029 -0.172 1.00 0.00 H new ATOM 0 HG LEU A 89 -7.392 4.480 0.352 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.998 3.896 -1.587 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -7.126 2.589 -1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -7.467 3.630 -2.556 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -6.590 6.269 -1.134 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -8.097 6.157 -2.074 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -8.146 6.678 -0.373 1.00 0.00 H new ATOM 1423 N PRO A 90 -7.818 1.649 1.265 1.00 0.00 N ATOM 1424 CA PRO A 90 -6.840 1.306 2.284 1.00 0.00 C ATOM 1425 C PRO A 90 -5.660 2.281 2.260 1.00 0.00 C ATOM 1426 O PRO A 90 -5.051 2.499 1.215 1.00 0.00 O ATOM 1427 CB PRO A 90 -6.434 -0.125 1.974 1.00 0.00 C ATOM 1428 CG PRO A 90 -6.845 -0.372 0.532 1.00 0.00 C ATOM 1429 CD PRO A 90 -7.783 0.749 0.116 1.00 0.00 C ATOM 0 HA PRO A 90 -7.241 1.382 3.295 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -5.361 -0.263 2.103 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -6.929 -0.826 2.647 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -5.969 -0.397 -0.116 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -7.339 -1.339 0.436 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -7.419 1.259 -0.776 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -8.777 0.367 -0.118 1.00 0.00 H new ATOM 1437 N VAL A 91 -5.374 2.841 3.427 1.00 0.00 N ATOM 1438 CA VAL A 91 -4.278 3.786 3.554 1.00 0.00 C ATOM 1439 C VAL A 91 -3.523 3.515 4.856 1.00 0.00 C ATOM 1440 O VAL A 91 -4.130 3.428 5.922 1.00 0.00 O ATOM 1441 CB VAL A 91 -4.809 5.219 3.458 1.00 0.00 C ATOM 1442 CG1 VAL A 91 -3.702 6.235 3.743 1.00 0.00 C ATOM 1443 CG2 VAL A 91 -5.450 5.475 2.092 1.00 0.00 C ATOM 0 H VAL A 91 -5.882 2.658 4.292 1.00 0.00 H new ATOM 0 HA VAL A 91 -3.569 3.660 2.736 1.00 0.00 H new ATOM 0 HB VAL A 91 -5.580 5.342 4.219 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -4.106 7.244 3.668 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -3.311 6.074 4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -2.899 6.111 3.017 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -5.819 6.500 2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -4.708 5.324 1.308 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -6.280 4.784 1.944 1.00 0.00 H new ATOM 1453 N VAL A 92 -2.211 3.389 4.728 1.00 0.00 N ATOM 1454 CA VAL A 92 -1.367 3.129 5.882 1.00 0.00 C ATOM 1455 C VAL A 92 -0.307 4.226 5.990 1.00 0.00 C ATOM 1456 O VAL A 92 0.374 4.536 5.013 1.00 0.00 O ATOM 1457 CB VAL A 92 -0.768 1.726 5.785 1.00 0.00 C ATOM 1458 CG1 VAL A 92 0.250 1.486 6.903 1.00 0.00 C ATOM 1459 CG2 VAL A 92 -1.863 0.658 5.802 1.00 0.00 C ATOM 0 H VAL A 92 -1.711 3.462 3.842 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.955 3.154 6.800 1.00 0.00 H new ATOM 0 HB VAL A 92 -0.244 1.652 4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 92 0.661 0.481 6.811 1.00 0.00 H new ATOM 0 HG12 VAL A 92 1.056 2.216 6.824 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -0.241 1.590 7.871 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -1.409 -0.330 5.732 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -2.429 0.732 6.731 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -2.533 0.810 4.956 1.00 0.00 H new ATOM 1469 N THR A 93 -0.199 4.785 7.187 1.00 0.00 N ATOM 1470 CA THR A 93 0.768 5.841 7.436 1.00 0.00 C ATOM 1471 C THR A 93 1.846 5.360 8.409 1.00 0.00 C ATOM 1472 O THR A 93 1.549 5.029 9.556 1.00 0.00 O ATOM 1473 CB THR A 93 0.006 7.071 7.932 1.00 0.00 C ATOM 1474 OG1 THR A 93 -0.965 6.540 8.830 1.00 0.00 O ATOM 1475 CG2 THR A 93 -0.827 7.728 6.831 1.00 0.00 C ATOM 0 H THR A 93 -0.765 4.526 7.995 1.00 0.00 H new ATOM 0 HA THR A 93 1.298 6.115 6.524 1.00 0.00 H new ATOM 0 HB THR A 93 0.713 7.797 8.334 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.528 5.932 9.463 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.347 8.596 7.237 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.172 8.044 6.019 1.00 0.00 H new ATOM 0 HG23 THR A 93 -1.556 7.013 6.451 1.00 0.00 H new ATOM 1483 N ASP A 94 3.074 5.334 7.916 1.00 0.00 N ATOM 1484 CA ASP A 94 4.198 4.898 8.727 1.00 0.00 C ATOM 1485 C ASP A 94 5.151 6.075 8.945 1.00 0.00 C ATOM 1486 O ASP A 94 5.799 6.536 8.008 1.00 0.00 O ATOM 1487 CB ASP A 94 4.979 3.781 8.033 1.00 0.00 C ATOM 1488 CG ASP A 94 6.195 3.264 8.805 1.00 0.00 C ATOM 1489 OD1 ASP A 94 6.585 3.833 9.835 1.00 0.00 O ATOM 1490 OD2 ASP A 94 6.757 2.219 8.300 1.00 0.00 O ATOM 0 H ASP A 94 3.316 5.608 6.964 1.00 0.00 H new ATOM 0 HA ASP A 94 3.806 4.529 9.675 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.303 2.946 7.849 1.00 0.00 H new ATOM 0 HB3 ASP A 94 5.312 4.142 7.060 1.00 0.00 H new ATOM 1496 N ASN A 95 5.205 6.528 10.189 1.00 0.00 N ATOM 1497 CA ASN A 95 6.068 7.642 10.544 1.00 0.00 C ATOM 1498 C ASN A 95 7.517 7.287 10.207 1.00 0.00 C ATOM 1499 O ASN A 95 8.096 6.386 10.813 1.00 0.00 O ATOM 1500 CB ASN A 95 5.991 7.944 12.041 1.00 0.00 C ATOM 1501 CG ASN A 95 4.546 7.869 12.542 1.00 0.00 C ATOM 1502 OD1 ASN A 95 3.880 6.852 12.443 1.00 0.00 O ATOM 1503 ND2 ASN A 95 4.103 8.999 13.085 1.00 0.00 N ATOM 0 H ASN A 95 4.665 6.144 10.964 1.00 0.00 H new ATOM 0 HA ASN A 95 5.737 8.516 9.983 1.00 0.00 H new ATOM 0 HB2 ASN A 95 6.608 7.233 12.591 1.00 0.00 H new ATOM 0 HB3 ASN A 95 6.397 8.937 12.237 1.00 0.00 H new ATOM 0 HD21 ASN A 95 3.152 9.051 13.450 1.00 0.00 H new ATOM 0 HD22 ASN A 95 4.714 9.814 13.136 1.00 0.00 H new ATOM 1510 N GLY A 96 8.061 8.012 9.240 1.00 0.00 N ATOM 1511 CA GLY A 96 9.432 7.783 8.816 1.00 0.00 C ATOM 1512 C GLY A 96 9.499 6.704 7.734 1.00 0.00 C ATOM 1513 O GLY A 96 10.493 6.598 7.018 1.00 0.00 O ATOM 0 H GLY A 96 7.578 8.757 8.739 1.00 0.00 H new ATOM 0 HA2 GLY A 96 9.858 8.711 8.436 1.00 0.00 H new ATOM 0 HA3 GLY A 96 10.036 7.482 9.672 1.00 0.00 H new ATOM 1517 N GLY A 97 8.427 5.930 7.649 1.00 0.00 N ATOM 1518 CA GLY A 97 8.352 4.863 6.666 1.00 0.00 C ATOM 1519 C GLY A 97 9.428 3.804 6.922 1.00 0.00 C ATOM 1520 O GLY A 97 10.352 3.651 6.125 1.00 0.00 O ATOM 0 H GLY A 97 7.604 6.021 8.244 1.00 0.00 H new ATOM 0 HA2 GLY A 97 7.366 4.400 6.701 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.475 5.277 5.665 1.00 0.00 H new ATOM 1524 N THR A 98 9.272 3.104 8.035 1.00 0.00 N ATOM 1525 CA THR A 98 10.219 2.066 8.404 1.00 0.00 C ATOM 1526 C THR A 98 10.339 1.030 7.285 1.00 0.00 C ATOM 1527 O THR A 98 11.413 0.476 7.060 1.00 0.00 O ATOM 1528 CB THR A 98 9.768 1.470 9.739 1.00 0.00 C ATOM 1529 OG1 THR A 98 10.214 2.414 10.710 1.00 0.00 O ATOM 1530 CG2 THR A 98 10.526 0.187 10.092 1.00 0.00 C ATOM 0 H THR A 98 8.504 3.235 8.694 1.00 0.00 H new ATOM 0 HA THR A 98 11.222 2.473 8.534 1.00 0.00 H new ATOM 0 HB THR A 98 8.699 1.263 9.701 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.961 2.106 11.605 1.00 0.00 H new ATOM 0 HG21 THR A 98 10.168 -0.195 11.048 1.00 0.00 H new ATOM 0 HG22 THR A 98 10.358 -0.560 9.316 1.00 0.00 H new ATOM 0 HG23 THR A 98 11.592 0.402 10.163 1.00 0.00 H new ATOM 1538 N ILE A 99 9.220 0.800 6.614 1.00 0.00 N ATOM 1539 CA ILE A 99 9.186 -0.161 5.524 1.00 0.00 C ATOM 1540 C ILE A 99 9.871 0.445 4.296 1.00 0.00 C ATOM 1541 O ILE A 99 10.534 -0.264 3.540 1.00 0.00 O ATOM 1542 CB ILE A 99 7.751 -0.622 5.261 1.00 0.00 C ATOM 1543 CG1 ILE A 99 7.104 -1.158 6.540 1.00 0.00 C ATOM 1544 CG2 ILE A 99 7.703 -1.644 4.123 1.00 0.00 C ATOM 1545 CD1 ILE A 99 5.757 -0.481 6.798 1.00 0.00 C ATOM 0 H ILE A 99 8.331 1.262 6.804 1.00 0.00 H new ATOM 0 HA ILE A 99 9.742 -1.060 5.791 1.00 0.00 H new ATOM 0 HB ILE A 99 7.168 0.242 4.943 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.963 -2.236 6.457 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.769 -0.988 7.387 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.672 -1.955 3.957 1.00 0.00 H new ATOM 0 HG22 ILE A 99 8.097 -1.193 3.212 1.00 0.00 H new ATOM 0 HG23 ILE A 99 8.306 -2.513 4.388 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.319 -0.880 7.713 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.904 0.594 6.905 1.00 0.00 H new ATOM 0 HD13 ILE A 99 5.087 -0.674 5.960 1.00 0.00 H new ATOM 1557 N ALA A 100 9.689 1.747 4.137 1.00 0.00 N ATOM 1558 CA ALA A 100 10.281 2.454 3.015 1.00 0.00 C ATOM 1559 C ALA A 100 11.800 2.509 3.198 1.00 0.00 C ATOM 1560 O ALA A 100 12.551 2.348 2.236 1.00 0.00 O ATOM 1561 CB ALA A 100 9.657 3.847 2.901 1.00 0.00 C ATOM 0 H ALA A 100 9.139 2.331 4.767 1.00 0.00 H new ATOM 0 HA ALA A 100 10.079 1.929 2.081 1.00 0.00 H new ATOM 0 HB1 ALA A 100 10.102 4.377 2.059 1.00 0.00 H new ATOM 0 HB2 ALA A 100 8.583 3.753 2.744 1.00 0.00 H new ATOM 0 HB3 ALA A 100 9.842 4.405 3.819 1.00 0.00 H new ATOM 1567 N GLN A 101 12.207 2.737 4.438 1.00 0.00 N ATOM 1568 CA GLN A 101 13.622 2.816 4.759 1.00 0.00 C ATOM 1569 C GLN A 101 14.214 1.412 4.898 1.00 0.00 C ATOM 1570 O GLN A 101 15.362 1.178 4.523 1.00 0.00 O ATOM 1571 CB GLN A 101 13.852 3.638 6.028 1.00 0.00 C ATOM 1572 CG GLN A 101 13.695 5.133 5.750 1.00 0.00 C ATOM 1573 CD GLN A 101 14.249 5.967 6.908 1.00 0.00 C ATOM 1574 OE1 GLN A 101 13.520 6.475 7.745 1.00 0.00 O ATOM 1575 NE2 GLN A 101 15.574 6.078 6.909 1.00 0.00 N ATOM 0 H GLN A 101 11.581 2.870 5.233 1.00 0.00 H new ATOM 0 HA GLN A 101 14.132 3.324 3.941 1.00 0.00 H new ATOM 0 HB2 GLN A 101 13.143 3.331 6.797 1.00 0.00 H new ATOM 0 HB3 GLN A 101 14.851 3.440 6.417 1.00 0.00 H new ATOM 0 HG2 GLN A 101 14.216 5.392 4.828 1.00 0.00 H new ATOM 0 HG3 GLN A 101 12.642 5.370 5.598 1.00 0.00 H new ATOM 0 HE21 GLN A 101 16.124 5.627 6.178 1.00 0.00 H new ATOM 0 HE22 GLN A 101 16.040 6.614 7.641 1.00 0.00 H new ATOM 1584 N SER A 102 13.402 0.514 5.439 1.00 0.00 N ATOM 1585 CA SER A 102 13.831 -0.861 5.632 1.00 0.00 C ATOM 1586 C SER A 102 14.172 -1.498 4.283 1.00 0.00 C ATOM 1587 O SER A 102 15.213 -2.136 4.139 1.00 0.00 O ATOM 1588 CB SER A 102 12.754 -1.678 6.349 1.00 0.00 C ATOM 1589 OG SER A 102 12.791 -1.488 7.760 1.00 0.00 O ATOM 0 H SER A 102 12.451 0.712 5.749 1.00 0.00 H new ATOM 0 HA SER A 102 14.723 -0.856 6.259 1.00 0.00 H new ATOM 0 HB2 SER A 102 11.772 -1.394 5.971 1.00 0.00 H new ATOM 0 HB3 SER A 102 12.890 -2.735 6.122 1.00 0.00 H new ATOM 0 HG SER A 102 12.127 -0.814 8.017 1.00 0.00 H new ATOM 1595 N LEU A 103 13.273 -1.303 3.329 1.00 0.00 N ATOM 1596 CA LEU A 103 13.466 -1.850 1.997 1.00 0.00 C ATOM 1597 C LEU A 103 14.279 -0.864 1.157 1.00 0.00 C ATOM 1598 O LEU A 103 14.667 -1.175 0.032 1.00 0.00 O ATOM 1599 CB LEU A 103 12.119 -2.227 1.373 1.00 0.00 C ATOM 1600 CG LEU A 103 11.421 -3.450 1.970 1.00 0.00 C ATOM 1601 CD1 LEU A 103 9.900 -3.323 1.857 1.00 0.00 C ATOM 1602 CD2 LEU A 103 11.938 -4.741 1.331 1.00 0.00 C ATOM 0 H LEU A 103 12.410 -0.774 3.452 1.00 0.00 H new ATOM 0 HA LEU A 103 14.040 -2.775 2.045 1.00 0.00 H new ATOM 0 HB2 LEU A 103 11.449 -1.372 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 103 12.271 -2.404 0.308 1.00 0.00 H new ATOM 0 HG LEU A 103 11.661 -3.497 3.032 1.00 0.00 H new ATOM 0 HD11 LEU A 103 9.428 -4.206 2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.568 -2.435 2.394 1.00 0.00 H new ATOM 0 HD13 LEU A 103 9.619 -3.238 0.807 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.426 -5.596 1.773 1.00 0.00 H new ATOM 0 HD22 LEU A 103 11.747 -4.718 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 103 13.010 -4.830 1.506 1.00 0.00 H new ATOM 1614 N ASN A 104 14.513 0.304 1.736 1.00 0.00 N ATOM 1615 CA ASN A 104 15.273 1.338 1.055 1.00 0.00 C ATOM 1616 C ASN A 104 14.584 1.686 -0.266 1.00 0.00 C ATOM 1617 O ASN A 104 15.153 1.486 -1.338 1.00 0.00 O ATOM 1618 CB ASN A 104 16.692 0.859 0.737 1.00 0.00 C ATOM 1619 CG ASN A 104 17.424 1.868 -0.148 1.00 0.00 C ATOM 1620 OD1 ASN A 104 17.820 1.580 -1.267 1.00 0.00 O ATOM 1621 ND2 ASN A 104 17.584 3.065 0.410 1.00 0.00 N ATOM 0 H ASN A 104 14.190 0.557 2.670 1.00 0.00 H new ATOM 0 HA ASN A 104 15.324 2.207 1.711 1.00 0.00 H new ATOM 0 HB2 ASN A 104 17.247 0.713 1.664 1.00 0.00 H new ATOM 0 HB3 ASN A 104 16.650 -0.108 0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 104 18.062 3.807 -0.102 1.00 0.00 H new ATOM 0 HD22 ASN A 104 17.229 3.241 1.350 1.00 0.00 H new ATOM 1628 N ILE A 105 13.368 2.198 -0.145 1.00 0.00 N ATOM 1629 CA ILE A 105 12.595 2.575 -1.317 1.00 0.00 C ATOM 1630 C ILE A 105 12.782 4.070 -1.586 1.00 0.00 C ATOM 1631 O ILE A 105 13.533 4.454 -2.480 1.00 0.00 O ATOM 1632 CB ILE A 105 11.133 2.157 -1.151 1.00 0.00 C ATOM 1633 CG1 ILE A 105 11.029 0.762 -0.534 1.00 0.00 C ATOM 1634 CG2 ILE A 105 10.381 2.254 -2.480 1.00 0.00 C ATOM 1635 CD1 ILE A 105 9.588 0.451 -0.123 1.00 0.00 C ATOM 0 H ILE A 105 12.899 2.361 0.746 1.00 0.00 H new ATOM 0 HA ILE A 105 12.955 2.045 -2.199 1.00 0.00 H new ATOM 0 HB ILE A 105 10.655 2.851 -0.460 1.00 0.00 H new ATOM 0 HG12 ILE A 105 11.376 0.017 -1.250 1.00 0.00 H new ATOM 0 HG13 ILE A 105 11.682 0.696 0.336 1.00 0.00 H new ATOM 0 HG21 ILE A 105 9.344 1.951 -2.334 1.00 0.00 H new ATOM 0 HG22 ILE A 105 10.412 3.282 -2.841 1.00 0.00 H new ATOM 0 HG23 ILE A 105 10.851 1.598 -3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 105 9.541 -0.547 0.313 1.00 0.00 H new ATOM 0 HD12 ILE A 105 9.253 1.184 0.611 1.00 0.00 H new ATOM 0 HD13 ILE A 105 8.942 0.494 -1.000 1.00 0.00 H new ATOM 1647 N SER A 106 12.084 4.872 -0.795 1.00 0.00 N ATOM 1648 CA SER A 106 12.162 6.316 -0.937 1.00 0.00 C ATOM 1649 C SER A 106 11.857 6.717 -2.382 1.00 0.00 C ATOM 1650 O SER A 106 12.309 7.763 -2.847 1.00 0.00 O ATOM 1651 CB SER A 106 13.540 6.837 -0.521 1.00 0.00 C ATOM 1652 OG SER A 106 14.578 5.914 -0.840 1.00 0.00 O ATOM 0 H SER A 106 11.462 4.549 -0.054 1.00 0.00 H new ATOM 0 HA SER A 106 11.419 6.765 -0.277 1.00 0.00 H new ATOM 0 HB2 SER A 106 13.734 7.787 -1.019 1.00 0.00 H new ATOM 0 HB3 SER A 106 13.545 7.032 0.551 1.00 0.00 H new ATOM 0 HG SER A 106 14.489 5.632 -1.774 1.00 0.00 H new ATOM 1658 N VAL A 107 11.094 5.865 -3.051 1.00 0.00 N ATOM 1659 CA VAL A 107 10.724 6.119 -4.433 1.00 0.00 C ATOM 1660 C VAL A 107 9.277 5.680 -4.657 1.00 0.00 C ATOM 1661 O VAL A 107 8.887 4.582 -4.261 1.00 0.00 O ATOM 1662 CB VAL A 107 11.711 5.425 -5.373 1.00 0.00 C ATOM 1663 CG1 VAL A 107 11.774 3.922 -5.093 1.00 0.00 C ATOM 1664 CG2 VAL A 107 11.356 5.695 -6.838 1.00 0.00 C ATOM 0 H VAL A 107 10.722 4.999 -2.662 1.00 0.00 H new ATOM 0 HA VAL A 107 10.778 7.185 -4.654 1.00 0.00 H new ATOM 0 HB VAL A 107 12.700 5.842 -5.185 1.00 0.00 H new ATOM 0 HG11 VAL A 107 12.483 3.454 -5.776 1.00 0.00 H new ATOM 0 HG12 VAL A 107 12.097 3.757 -4.065 1.00 0.00 H new ATOM 0 HG13 VAL A 107 10.787 3.483 -5.238 1.00 0.00 H new ATOM 0 HG21 VAL A 107 12.073 5.190 -7.485 1.00 0.00 H new ATOM 0 HG22 VAL A 107 10.354 5.319 -7.045 1.00 0.00 H new ATOM 0 HG23 VAL A 107 11.388 6.768 -7.028 1.00 0.00 H new ATOM 1674 N TYR A 108 8.517 6.561 -5.293 1.00 0.00 N ATOM 1675 CA TYR A 108 7.120 6.278 -5.573 1.00 0.00 C ATOM 1676 C TYR A 108 6.783 6.579 -7.036 1.00 0.00 C ATOM 1677 O TYR A 108 7.421 7.425 -7.662 1.00 0.00 O ATOM 1678 CB TYR A 108 6.310 7.215 -4.674 1.00 0.00 C ATOM 1679 CG TYR A 108 6.679 7.126 -3.192 1.00 0.00 C ATOM 1680 CD1 TYR A 108 7.001 5.906 -2.632 1.00 0.00 C ATOM 1681 CD2 TYR A 108 6.690 8.266 -2.414 1.00 0.00 C ATOM 1682 CE1 TYR A 108 7.348 5.823 -1.237 1.00 0.00 C ATOM 1683 CE2 TYR A 108 7.037 8.183 -1.019 1.00 0.00 C ATOM 1684 CZ TYR A 108 7.349 6.965 -0.500 1.00 0.00 C ATOM 1685 OH TYR A 108 7.677 6.886 0.818 1.00 0.00 O ATOM 0 H TYR A 108 8.843 7.470 -5.622 1.00 0.00 H new ATOM 0 HA TYR A 108 6.898 5.227 -5.389 1.00 0.00 H new ATOM 0 HB2 TYR A 108 6.453 8.241 -5.013 1.00 0.00 H new ATOM 0 HB3 TYR A 108 5.250 6.986 -4.789 1.00 0.00 H new ATOM 0 HD1 TYR A 108 6.993 5.014 -3.240 1.00 0.00 H new ATOM 0 HD2 TYR A 108 6.438 9.221 -2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 108 7.602 4.875 -0.787 1.00 0.00 H new ATOM 0 HE2 TYR A 108 7.049 9.067 -0.399 1.00 0.00 H new ATOM 0 HH TYR A 108 8.303 6.145 0.955 1.00 0.00 H new ATOM 1695 N PRO A 109 5.757 5.851 -7.550 1.00 0.00 N ATOM 1696 CA PRO A 109 5.054 4.870 -6.740 1.00 0.00 C ATOM 1697 C PRO A 109 5.900 3.608 -6.552 1.00 0.00 C ATOM 1698 O PRO A 109 6.902 3.420 -7.240 1.00 0.00 O ATOM 1699 CB PRO A 109 3.753 4.608 -7.479 1.00 0.00 C ATOM 1700 CG PRO A 109 3.977 5.094 -8.902 1.00 0.00 C ATOM 1701 CD PRO A 109 5.239 5.943 -8.912 1.00 0.00 C ATOM 0 HA PRO A 109 4.856 5.224 -5.728 1.00 0.00 H new ATOM 0 HB2 PRO A 109 3.502 3.547 -7.463 1.00 0.00 H new ATOM 0 HB3 PRO A 109 2.924 5.139 -7.011 1.00 0.00 H new ATOM 0 HG2 PRO A 109 4.080 4.249 -9.582 1.00 0.00 H new ATOM 0 HG3 PRO A 109 3.122 5.677 -9.245 1.00 0.00 H new ATOM 0 HD2 PRO A 109 5.962 5.569 -9.637 1.00 0.00 H new ATOM 0 HD3 PRO A 109 5.020 6.976 -9.184 1.00 0.00 H new ATOM 1709 N SER A 110 5.465 2.777 -5.617 1.00 0.00 N ATOM 1710 CA SER A 110 6.169 1.539 -5.330 1.00 0.00 C ATOM 1711 C SER A 110 5.181 0.474 -4.851 1.00 0.00 C ATOM 1712 O SER A 110 4.145 0.798 -4.271 1.00 0.00 O ATOM 1713 CB SER A 110 7.263 1.758 -4.283 1.00 0.00 C ATOM 1714 OG SER A 110 8.493 2.167 -4.874 1.00 0.00 O ATOM 0 H SER A 110 4.634 2.937 -5.048 1.00 0.00 H new ATOM 0 HA SER A 110 6.646 1.196 -6.248 1.00 0.00 H new ATOM 0 HB2 SER A 110 6.935 2.513 -3.569 1.00 0.00 H new ATOM 0 HB3 SER A 110 7.419 0.836 -3.723 1.00 0.00 H new ATOM 0 HG SER A 110 8.512 3.144 -4.947 1.00 0.00 H new ATOM 1720 N TRP A 111 5.535 -0.776 -5.110 1.00 0.00 N ATOM 1721 CA TRP A 111 4.693 -1.891 -4.712 1.00 0.00 C ATOM 1722 C TRP A 111 5.567 -2.905 -3.971 1.00 0.00 C ATOM 1723 O TRP A 111 6.693 -3.175 -4.384 1.00 0.00 O ATOM 1724 CB TRP A 111 3.972 -2.493 -5.920 1.00 0.00 C ATOM 1725 CG TRP A 111 3.090 -1.499 -6.679 1.00 0.00 C ATOM 1726 CD1 TRP A 111 3.473 -0.547 -7.541 1.00 0.00 C ATOM 1727 CD2 TRP A 111 1.653 -1.397 -6.606 1.00 0.00 C ATOM 1728 NE1 TRP A 111 2.392 0.159 -8.027 1.00 0.00 N ATOM 1729 CE2 TRP A 111 1.250 -0.374 -7.443 1.00 0.00 C ATOM 1730 CE3 TRP A 111 0.723 -2.143 -5.861 1.00 0.00 C ATOM 1731 CZ2 TRP A 111 -0.090 -0.005 -7.611 1.00 0.00 C ATOM 1732 CZ3 TRP A 111 -0.612 -1.762 -6.041 1.00 0.00 C ATOM 1733 CH2 TRP A 111 -1.033 -0.735 -6.877 1.00 0.00 C ATOM 0 H TRP A 111 6.394 -1.041 -5.591 1.00 0.00 H new ATOM 0 HA TRP A 111 3.904 -1.556 -4.039 1.00 0.00 H new ATOM 0 HB2 TRP A 111 4.714 -2.902 -6.606 1.00 0.00 H new ATOM 0 HB3 TRP A 111 3.355 -3.327 -5.584 1.00 0.00 H new ATOM 0 HD1 TRP A 111 4.499 -0.356 -7.820 1.00 0.00 H new ATOM 0 HE1 TRP A 111 2.425 0.931 -8.693 1.00 0.00 H new ATOM 0 HE3 TRP A 111 1.015 -2.947 -5.202 1.00 0.00 H new ATOM 0 HZ2 TRP A 111 -0.381 0.799 -8.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 111 -1.367 -2.304 -5.492 1.00 0.00 H new ATOM 0 HH2 TRP A 111 -2.084 -0.501 -6.960 1.00 0.00 H new ATOM 1744 N ALA A 112 5.015 -3.437 -2.891 1.00 0.00 N ATOM 1745 CA ALA A 112 5.731 -4.415 -2.090 1.00 0.00 C ATOM 1746 C ALA A 112 4.796 -5.578 -1.758 1.00 0.00 C ATOM 1747 O ALA A 112 3.631 -5.369 -1.424 1.00 0.00 O ATOM 1748 CB ALA A 112 6.288 -3.737 -0.835 1.00 0.00 C ATOM 0 H ALA A 112 4.080 -3.209 -2.552 1.00 0.00 H new ATOM 0 HA ALA A 112 6.577 -4.821 -2.645 1.00 0.00 H new ATOM 0 HB1 ALA A 112 6.825 -4.470 -0.233 1.00 0.00 H new ATOM 0 HB2 ALA A 112 6.969 -2.937 -1.125 1.00 0.00 H new ATOM 0 HB3 ALA A 112 5.467 -3.321 -0.251 1.00 0.00 H new ATOM 1754 N LEU A 113 5.342 -6.782 -1.860 1.00 0.00 N ATOM 1755 CA LEU A 113 4.571 -7.980 -1.574 1.00 0.00 C ATOM 1756 C LEU A 113 5.054 -8.591 -0.258 1.00 0.00 C ATOM 1757 O LEU A 113 6.255 -8.632 0.007 1.00 0.00 O ATOM 1758 CB LEU A 113 4.626 -8.948 -2.759 1.00 0.00 C ATOM 1759 CG LEU A 113 3.789 -10.221 -2.624 1.00 0.00 C ATOM 1760 CD1 LEU A 113 2.294 -9.904 -2.695 1.00 0.00 C ATOM 1761 CD2 LEU A 113 4.205 -11.262 -3.664 1.00 0.00 C ATOM 0 H LEU A 113 6.309 -6.953 -2.137 1.00 0.00 H new ATOM 0 HA LEU A 113 3.518 -7.733 -1.442 1.00 0.00 H new ATOM 0 HB2 LEU A 113 4.300 -8.416 -3.653 1.00 0.00 H new ATOM 0 HB3 LEU A 113 5.665 -9.235 -2.920 1.00 0.00 H new ATOM 0 HG LEU A 113 3.979 -10.653 -1.642 1.00 0.00 H new ATOM 0 HD11 LEU A 113 1.721 -10.826 -2.596 1.00 0.00 H new ATOM 0 HD12 LEU A 113 2.028 -9.223 -1.886 1.00 0.00 H new ATOM 0 HD13 LEU A 113 2.066 -9.436 -3.653 1.00 0.00 H new ATOM 0 HD21 LEU A 113 3.595 -12.158 -3.547 1.00 0.00 H new ATOM 0 HD22 LEU A 113 4.062 -10.854 -4.665 1.00 0.00 H new ATOM 0 HD23 LEU A 113 5.255 -11.518 -3.523 1.00 0.00 H new ATOM 1773 N ILE A 114 4.095 -9.050 0.532 1.00 0.00 N ATOM 1774 CA ILE A 114 4.408 -9.657 1.815 1.00 0.00 C ATOM 1775 C ILE A 114 3.872 -11.089 1.841 1.00 0.00 C ATOM 1776 O ILE A 114 2.668 -11.307 1.718 1.00 0.00 O ATOM 1777 CB ILE A 114 3.889 -8.785 2.960 1.00 0.00 C ATOM 1778 CG1 ILE A 114 4.571 -7.415 2.960 1.00 0.00 C ATOM 1779 CG2 ILE A 114 4.039 -9.501 4.304 1.00 0.00 C ATOM 1780 CD1 ILE A 114 6.073 -7.551 3.215 1.00 0.00 C ATOM 0 H ILE A 114 3.100 -9.014 0.309 1.00 0.00 H new ATOM 0 HA ILE A 114 5.487 -9.718 1.955 1.00 0.00 H new ATOM 0 HB ILE A 114 2.824 -8.613 2.803 1.00 0.00 H new ATOM 0 HG12 ILE A 114 4.404 -6.922 2.002 1.00 0.00 H new ATOM 0 HG13 ILE A 114 4.124 -6.782 3.727 1.00 0.00 H new ATOM 0 HG21 ILE A 114 3.663 -8.860 5.102 1.00 0.00 H new ATOM 0 HG22 ILE A 114 3.470 -10.431 4.287 1.00 0.00 H new ATOM 0 HG23 ILE A 114 5.091 -9.723 4.483 1.00 0.00 H new ATOM 0 HD11 ILE A 114 6.534 -6.563 3.210 1.00 0.00 H new ATOM 0 HD12 ILE A 114 6.236 -8.023 4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 114 6.521 -8.164 2.433 1.00 0.00 H new ATOM 1792 N GLY A 115 4.792 -12.029 2.001 1.00 0.00 N ATOM 1793 CA GLY A 115 4.427 -13.434 2.044 1.00 0.00 C ATOM 1794 C GLY A 115 3.150 -13.645 2.861 1.00 0.00 C ATOM 1795 O GLY A 115 2.759 -12.779 3.641 1.00 0.00 O ATOM 0 H GLY A 115 5.790 -11.845 2.102 1.00 0.00 H new ATOM 0 HA2 GLY A 115 4.280 -13.806 1.030 1.00 0.00 H new ATOM 0 HA3 GLY A 115 5.242 -14.012 2.481 1.00 0.00 H new ATOM 1799 N LYS A 116 2.537 -14.800 2.653 1.00 0.00 N ATOM 1800 CA LYS A 116 1.314 -15.137 3.361 1.00 0.00 C ATOM 1801 C LYS A 116 1.629 -15.353 4.842 1.00 0.00 C ATOM 1802 O LYS A 116 0.720 -15.458 5.665 1.00 0.00 O ATOM 1803 CB LYS A 116 0.621 -16.328 2.698 1.00 0.00 C ATOM 1804 CG LYS A 116 1.480 -17.590 2.805 1.00 0.00 C ATOM 1805 CD LYS A 116 0.779 -18.786 2.157 1.00 0.00 C ATOM 1806 CE LYS A 116 1.766 -19.625 1.343 1.00 0.00 C ATOM 1807 NZ LYS A 116 1.043 -20.507 0.399 1.00 0.00 N ATOM 0 H LYS A 116 2.865 -15.515 2.004 1.00 0.00 H new ATOM 0 HA LYS A 116 0.602 -14.313 3.304 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -0.346 -16.500 3.171 1.00 0.00 H new ATOM 0 HB3 LYS A 116 0.427 -16.103 1.649 1.00 0.00 H new ATOM 0 HG2 LYS A 116 2.442 -17.422 2.321 1.00 0.00 H new ATOM 0 HG3 LYS A 116 1.684 -17.808 3.853 1.00 0.00 H new ATOM 0 HD2 LYS A 116 0.320 -19.405 2.928 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -0.025 -18.434 1.510 1.00 0.00 H new ATOM 0 HE2 LYS A 116 2.442 -18.970 0.793 1.00 0.00 H new ATOM 0 HE3 LYS A 116 2.380 -20.226 2.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 1.728 -21.069 -0.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 0.416 -21.145 0.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 0.476 -19.928 -0.252 1.00 0.00 H new ATOM 1820 N ASP A 117 2.920 -15.415 5.137 1.00 0.00 N ATOM 1821 CA ASP A 117 3.367 -15.619 6.504 1.00 0.00 C ATOM 1822 C ASP A 117 3.536 -14.262 7.188 1.00 0.00 C ATOM 1823 O ASP A 117 3.515 -14.174 8.415 1.00 0.00 O ATOM 1824 CB ASP A 117 4.715 -16.340 6.542 1.00 0.00 C ATOM 1825 CG ASP A 117 4.636 -17.851 6.770 1.00 0.00 C ATOM 1826 OD1 ASP A 117 4.582 -18.638 5.814 1.00 0.00 O ATOM 1827 OD2 ASP A 117 4.630 -18.215 8.007 1.00 0.00 O ATOM 0 H ASP A 117 3.670 -15.327 4.452 1.00 0.00 H new ATOM 0 HA ASP A 117 2.620 -16.226 7.016 1.00 0.00 H new ATOM 0 HB2 ASP A 117 5.234 -16.157 5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 117 5.323 -15.900 7.333 1.00 0.00 H new ATOM 1833 N GLY A 118 3.700 -13.237 6.365 1.00 0.00 N ATOM 1834 CA GLY A 118 3.873 -11.887 6.875 1.00 0.00 C ATOM 1835 C GLY A 118 5.343 -11.465 6.822 1.00 0.00 C ATOM 1836 O GLY A 118 5.804 -10.699 7.667 1.00 0.00 O ATOM 0 H GLY A 118 3.717 -13.314 5.348 1.00 0.00 H new ATOM 0 HA2 GLY A 118 3.270 -11.193 6.289 1.00 0.00 H new ATOM 0 HA3 GLY A 118 3.512 -11.833 7.902 1.00 0.00 H new ATOM 1840 N ASP A 119 6.039 -11.985 5.821 1.00 0.00 N ATOM 1841 CA ASP A 119 7.447 -11.672 5.646 1.00 0.00 C ATOM 1842 C ASP A 119 7.659 -11.050 4.264 1.00 0.00 C ATOM 1843 O ASP A 119 6.931 -11.359 3.322 1.00 0.00 O ATOM 1844 CB ASP A 119 8.306 -12.932 5.735 1.00 0.00 C ATOM 1845 CG ASP A 119 8.381 -13.758 4.448 1.00 0.00 C ATOM 1846 OD1 ASP A 119 9.474 -14.066 3.951 1.00 0.00 O ATOM 1847 OD2 ASP A 119 7.240 -14.089 3.947 1.00 0.00 O ATOM 0 H ASP A 119 5.654 -12.621 5.123 1.00 0.00 H new ATOM 0 HA ASP A 119 7.740 -10.981 6.436 1.00 0.00 H new ATOM 0 HB2 ASP A 119 9.317 -12.644 6.023 1.00 0.00 H new ATOM 0 HB3 ASP A 119 7.915 -13.564 6.532 1.00 0.00 H new ATOM 1853 N VAL A 120 8.661 -10.186 4.185 1.00 0.00 N ATOM 1854 CA VAL A 120 8.979 -9.521 2.935 1.00 0.00 C ATOM 1855 C VAL A 120 9.224 -10.573 1.849 1.00 0.00 C ATOM 1856 O VAL A 120 10.156 -11.367 1.950 1.00 0.00 O ATOM 1857 CB VAL A 120 10.167 -8.576 3.130 1.00 0.00 C ATOM 1858 CG1 VAL A 120 10.759 -8.152 1.785 1.00 0.00 C ATOM 1859 CG2 VAL A 120 9.765 -7.356 3.962 1.00 0.00 C ATOM 0 H VAL A 120 9.263 -9.932 4.968 1.00 0.00 H new ATOM 0 HA VAL A 120 8.141 -8.905 2.608 1.00 0.00 H new ATOM 0 HB VAL A 120 10.938 -9.117 3.678 1.00 0.00 H new ATOM 0 HG11 VAL A 120 11.601 -7.481 1.954 1.00 0.00 H new ATOM 0 HG12 VAL A 120 11.101 -9.034 1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 120 9.998 -7.638 1.198 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.627 -6.700 4.086 1.00 0.00 H new ATOM 0 HG22 VAL A 120 8.968 -6.815 3.453 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.414 -7.683 4.941 1.00 0.00 H new ATOM 1869 N GLN A 121 8.370 -10.542 0.837 1.00 0.00 N ATOM 1870 CA GLN A 121 8.482 -11.482 -0.266 1.00 0.00 C ATOM 1871 C GLN A 121 9.352 -10.894 -1.379 1.00 0.00 C ATOM 1872 O GLN A 121 10.404 -11.442 -1.705 1.00 0.00 O ATOM 1873 CB GLN A 121 7.101 -11.872 -0.796 1.00 0.00 C ATOM 1874 CG GLN A 121 7.157 -13.208 -1.538 1.00 0.00 C ATOM 1875 CD GLN A 121 6.655 -14.350 -0.650 1.00 0.00 C ATOM 1876 OE1 GLN A 121 7.167 -14.602 0.429 1.00 0.00 O ATOM 1877 NE2 GLN A 121 5.629 -15.021 -1.161 1.00 0.00 N ATOM 0 H GLN A 121 7.597 -9.881 0.757 1.00 0.00 H new ATOM 0 HA GLN A 121 8.962 -12.389 0.102 1.00 0.00 H new ATOM 0 HB2 GLN A 121 6.396 -11.941 0.032 1.00 0.00 H new ATOM 0 HB3 GLN A 121 6.732 -11.095 -1.465 1.00 0.00 H new ATOM 0 HG2 GLN A 121 6.550 -13.152 -2.442 1.00 0.00 H new ATOM 0 HG3 GLN A 121 8.181 -13.411 -1.853 1.00 0.00 H new ATOM 0 HE21 GLN A 121 5.249 -14.757 -2.070 1.00 0.00 H new ATOM 0 HE22 GLN A 121 5.221 -15.800 -0.644 1.00 0.00 H new ATOM 1886 N ARG A 122 8.881 -9.785 -1.931 1.00 0.00 N ATOM 1887 CA ARG A 122 9.602 -9.116 -3.000 1.00 0.00 C ATOM 1888 C ARG A 122 9.177 -7.649 -3.091 1.00 0.00 C ATOM 1889 O ARG A 122 8.073 -7.293 -2.682 1.00 0.00 O ATOM 1890 CB ARG A 122 9.349 -9.799 -4.346 1.00 0.00 C ATOM 1891 CG ARG A 122 7.908 -10.303 -4.441 1.00 0.00 C ATOM 1892 CD ARG A 122 7.657 -10.994 -5.783 1.00 0.00 C ATOM 1893 NE ARG A 122 8.443 -10.333 -6.848 1.00 0.00 N ATOM 1894 CZ ARG A 122 9.711 -10.667 -7.170 1.00 0.00 C ATOM 1895 NH1 ARG A 122 10.346 -11.658 -6.513 1.00 0.00 N ATOM 1896 NH2 ARG A 122 10.319 -10.008 -8.140 1.00 0.00 N ATOM 0 H ARG A 122 8.008 -9.333 -1.657 1.00 0.00 H new ATOM 0 HA ARG A 122 10.666 -9.175 -2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 122 9.547 -9.098 -5.157 1.00 0.00 H new ATOM 0 HB3 ARG A 122 10.039 -10.634 -4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 122 7.708 -10.999 -3.626 1.00 0.00 H new ATOM 0 HG3 ARG A 122 7.218 -9.467 -4.323 1.00 0.00 H new ATOM 0 HD2 ARG A 122 7.933 -12.046 -5.716 1.00 0.00 H new ATOM 0 HD3 ARG A 122 6.595 -10.957 -6.027 1.00 0.00 H new ATOM 0 HE ARG A 122 7.999 -9.578 -7.371 1.00 0.00 H new ATOM 0 HH11 ARG A 122 9.869 -12.162 -5.766 1.00 0.00 H new ATOM 0 HH12 ARG A 122 11.304 -11.904 -6.763 1.00 0.00 H new ATOM 0 HH21 ARG A 122 9.831 -9.260 -8.633 1.00 0.00 H new ATOM 0 HH22 ARG A 122 11.277 -10.247 -8.396 1.00 0.00 H new ATOM 1909 N ILE A 123 10.077 -6.839 -3.629 1.00 0.00 N ATOM 1910 CA ILE A 123 9.807 -5.418 -3.779 1.00 0.00 C ATOM 1911 C ILE A 123 9.733 -5.071 -5.267 1.00 0.00 C ATOM 1912 O ILE A 123 10.502 -5.598 -6.070 1.00 0.00 O ATOM 1913 CB ILE A 123 10.840 -4.593 -3.007 1.00 0.00 C ATOM 1914 CG1 ILE A 123 10.420 -3.124 -2.929 1.00 0.00 C ATOM 1915 CG2 ILE A 123 12.236 -4.760 -3.611 1.00 0.00 C ATOM 1916 CD1 ILE A 123 10.768 -2.527 -1.565 1.00 0.00 C ATOM 0 H ILE A 123 10.992 -7.138 -3.966 1.00 0.00 H new ATOM 0 HA ILE A 123 8.840 -5.166 -3.344 1.00 0.00 H new ATOM 0 HB ILE A 123 10.885 -4.969 -1.985 1.00 0.00 H new ATOM 0 HG12 ILE A 123 10.918 -2.557 -3.716 1.00 0.00 H new ATOM 0 HG13 ILE A 123 9.348 -3.039 -3.105 1.00 0.00 H new ATOM 0 HG21 ILE A 123 12.951 -4.164 -3.044 1.00 0.00 H new ATOM 0 HG22 ILE A 123 12.526 -5.810 -3.571 1.00 0.00 H new ATOM 0 HG23 ILE A 123 12.226 -4.425 -4.648 1.00 0.00 H new ATOM 0 HD11 ILE A 123 10.459 -1.482 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 123 10.249 -3.081 -0.782 1.00 0.00 H new ATOM 0 HD13 ILE A 123 11.844 -2.592 -1.403 1.00 0.00 H new ATOM 1928 N VAL A 124 8.800 -4.190 -5.590 1.00 0.00 N ATOM 1929 CA VAL A 124 8.614 -3.766 -6.968 1.00 0.00 C ATOM 1930 C VAL A 124 8.694 -2.241 -7.044 1.00 0.00 C ATOM 1931 O VAL A 124 7.962 -1.542 -6.347 1.00 0.00 O ATOM 1932 CB VAL A 124 7.297 -4.324 -7.514 1.00 0.00 C ATOM 1933 CG1 VAL A 124 7.049 -3.843 -8.945 1.00 0.00 C ATOM 1934 CG2 VAL A 124 7.276 -5.852 -7.438 1.00 0.00 C ATOM 0 H VAL A 124 8.163 -3.757 -4.921 1.00 0.00 H new ATOM 0 HA VAL A 124 9.408 -4.164 -7.600 1.00 0.00 H new ATOM 0 HB VAL A 124 6.488 -3.946 -6.889 1.00 0.00 H new ATOM 0 HG11 VAL A 124 6.107 -4.254 -9.309 1.00 0.00 H new ATOM 0 HG12 VAL A 124 7.000 -2.754 -8.959 1.00 0.00 H new ATOM 0 HG13 VAL A 124 7.863 -4.178 -9.588 1.00 0.00 H new ATOM 0 HG21 VAL A 124 6.330 -6.223 -7.832 1.00 0.00 H new ATOM 0 HG22 VAL A 124 8.098 -6.257 -8.028 1.00 0.00 H new ATOM 0 HG23 VAL A 124 7.385 -6.166 -6.400 1.00 0.00 H new ATOM 1944 N LYS A 125 9.589 -1.769 -7.899 1.00 0.00 N ATOM 1945 CA LYS A 125 9.775 -0.339 -8.075 1.00 0.00 C ATOM 1946 C LYS A 125 9.154 0.091 -9.406 1.00 0.00 C ATOM 1947 O LYS A 125 9.578 -0.361 -10.467 1.00 0.00 O ATOM 1948 CB LYS A 125 11.253 0.031 -7.938 1.00 0.00 C ATOM 1949 CG LYS A 125 12.056 -0.462 -9.144 1.00 0.00 C ATOM 1950 CD LYS A 125 13.558 -0.418 -8.858 1.00 0.00 C ATOM 1951 CE LYS A 125 14.093 -1.812 -8.527 1.00 0.00 C ATOM 1952 NZ LYS A 125 15.448 -1.720 -7.937 1.00 0.00 N ATOM 0 H LYS A 125 10.194 -2.352 -8.478 1.00 0.00 H new ATOM 0 HA LYS A 125 9.259 0.212 -7.289 1.00 0.00 H new ATOM 0 HB2 LYS A 125 11.354 1.113 -7.847 1.00 0.00 H new ATOM 0 HB3 LYS A 125 11.658 -0.405 -7.024 1.00 0.00 H new ATOM 0 HG2 LYS A 125 11.759 -1.481 -9.391 1.00 0.00 H new ATOM 0 HG3 LYS A 125 11.830 0.156 -10.013 1.00 0.00 H new ATOM 0 HD2 LYS A 125 14.085 -0.018 -9.724 1.00 0.00 H new ATOM 0 HD3 LYS A 125 13.754 0.258 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 125 13.419 -2.311 -7.830 1.00 0.00 H new ATOM 0 HE3 LYS A 125 14.124 -2.420 -9.431 1.00 0.00 H new ATOM 0 HZ1 LYS A 125 15.797 -2.675 -7.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 125 16.091 -1.263 -8.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 125 15.409 -1.157 -7.063 1.00 0.00 H new ATOM 1965 N GLY A 126 8.160 0.961 -9.305 1.00 0.00 N ATOM 1966 CA GLY A 126 7.476 1.458 -10.487 1.00 0.00 C ATOM 1967 C GLY A 126 5.958 1.370 -10.319 1.00 0.00 C ATOM 1968 O GLY A 126 5.456 1.299 -9.198 1.00 0.00 O ATOM 0 H GLY A 126 7.812 1.335 -8.422 1.00 0.00 H new ATOM 0 HA2 GLY A 126 7.766 2.492 -10.671 1.00 0.00 H new ATOM 0 HA3 GLY A 126 7.783 0.881 -11.359 1.00 0.00 H new ATOM 1972 N SER A 127 5.268 1.379 -11.451 1.00 0.00 N ATOM 1973 CA SER A 127 3.818 1.303 -11.444 1.00 0.00 C ATOM 1974 C SER A 127 3.357 0.028 -12.156 1.00 0.00 C ATOM 1975 O SER A 127 4.125 -0.584 -12.896 1.00 0.00 O ATOM 1976 CB SER A 127 3.197 2.534 -12.107 1.00 0.00 C ATOM 1977 OG SER A 127 3.896 3.730 -11.768 1.00 0.00 O ATOM 0 H SER A 127 5.687 1.438 -12.379 1.00 0.00 H new ATOM 0 HA SER A 127 3.483 1.275 -10.407 1.00 0.00 H new ATOM 0 HB2 SER A 127 3.202 2.405 -13.189 1.00 0.00 H new ATOM 0 HB3 SER A 127 2.155 2.624 -11.802 1.00 0.00 H new ATOM 0 HG SER A 127 3.471 4.494 -12.211 1.00 0.00 H new ATOM 1983 N ILE A 128 2.106 -0.331 -11.908 1.00 0.00 N ATOM 1984 CA ILE A 128 1.535 -1.521 -12.516 1.00 0.00 C ATOM 1985 C ILE A 128 0.098 -1.224 -12.952 1.00 0.00 C ATOM 1986 O ILE A 128 -0.501 -0.246 -12.507 1.00 0.00 O ATOM 1987 CB ILE A 128 1.656 -2.717 -11.571 1.00 0.00 C ATOM 1988 CG1 ILE A 128 1.122 -2.373 -10.180 1.00 0.00 C ATOM 1989 CG2 ILE A 128 3.097 -3.232 -11.521 1.00 0.00 C ATOM 1990 CD1 ILE A 128 0.746 -3.640 -9.409 1.00 0.00 C ATOM 0 H ILE A 128 1.472 0.181 -11.295 1.00 0.00 H new ATOM 0 HA ILE A 128 2.091 -1.796 -13.412 1.00 0.00 H new ATOM 0 HB ILE A 128 1.038 -3.525 -11.962 1.00 0.00 H new ATOM 0 HG12 ILE A 128 1.876 -1.815 -9.625 1.00 0.00 H new ATOM 0 HG13 ILE A 128 0.250 -1.726 -10.271 1.00 0.00 H new ATOM 0 HG21 ILE A 128 3.156 -4.083 -10.842 1.00 0.00 H new ATOM 0 HG22 ILE A 128 3.407 -3.542 -12.519 1.00 0.00 H new ATOM 0 HG23 ILE A 128 3.755 -2.438 -11.167 1.00 0.00 H new ATOM 0 HD11 ILE A 128 0.369 -3.368 -8.423 1.00 0.00 H new ATOM 0 HD12 ILE A 128 -0.025 -4.183 -9.955 1.00 0.00 H new ATOM 0 HD13 ILE A 128 1.626 -4.273 -9.299 1.00 0.00 H new ATOM 2002 N ASN A 129 -0.414 -2.087 -13.817 1.00 0.00 N ATOM 2003 CA ASN A 129 -1.769 -1.933 -14.318 1.00 0.00 C ATOM 2004 C ASN A 129 -2.665 -3.005 -13.695 1.00 0.00 C ATOM 2005 O ASN A 129 -2.172 -3.954 -13.086 1.00 0.00 O ATOM 2006 CB ASN A 129 -1.818 -2.099 -15.838 1.00 0.00 C ATOM 2007 CG ASN A 129 -0.840 -3.182 -16.301 1.00 0.00 C ATOM 2008 OD1 ASN A 129 -1.107 -4.370 -16.225 1.00 0.00 O ATOM 2009 ND2 ASN A 129 0.304 -2.707 -16.785 1.00 0.00 N ATOM 0 H ASN A 129 0.086 -2.897 -14.184 1.00 0.00 H new ATOM 0 HA ASN A 129 -2.113 -0.933 -14.054 1.00 0.00 H new ATOM 0 HB2 ASN A 129 -2.830 -2.361 -16.147 1.00 0.00 H new ATOM 0 HB3 ASN A 129 -1.573 -1.152 -16.319 1.00 0.00 H new ATOM 0 HD21 ASN A 129 1.022 -3.349 -17.121 1.00 0.00 H new ATOM 0 HD22 ASN A 129 0.464 -1.700 -16.820 1.00 0.00 H new ATOM 2016 N GLU A 130 -3.964 -2.820 -13.871 1.00 0.00 N ATOM 2017 CA GLU A 130 -4.934 -3.760 -13.334 1.00 0.00 C ATOM 2018 C GLU A 130 -4.609 -5.181 -13.800 1.00 0.00 C ATOM 2019 O GLU A 130 -4.867 -6.146 -13.082 1.00 0.00 O ATOM 2020 CB GLU A 130 -6.358 -3.365 -13.729 1.00 0.00 C ATOM 2021 CG GLU A 130 -7.366 -4.422 -13.273 1.00 0.00 C ATOM 2022 CD GLU A 130 -7.823 -5.287 -14.449 1.00 0.00 C ATOM 2023 OE1 GLU A 130 -7.055 -5.496 -15.400 1.00 0.00 O ATOM 2024 OE2 GLU A 130 -9.022 -5.752 -14.350 1.00 0.00 O ATOM 0 H GLU A 130 -4.369 -2.033 -14.378 1.00 0.00 H new ATOM 0 HA GLU A 130 -4.874 -3.732 -12.246 1.00 0.00 H new ATOM 0 HB2 GLU A 130 -6.609 -2.402 -13.284 1.00 0.00 H new ATOM 0 HB3 GLU A 130 -6.419 -3.242 -14.810 1.00 0.00 H new ATOM 0 HG2 GLU A 130 -6.915 -5.053 -12.507 1.00 0.00 H new ATOM 0 HG3 GLU A 130 -8.229 -3.935 -12.818 1.00 0.00 H new ATOM 2032 N ALA A 131 -4.048 -5.264 -14.997 1.00 0.00 N ATOM 2033 CA ALA A 131 -3.686 -6.549 -15.567 1.00 0.00 C ATOM 2034 C ALA A 131 -2.571 -7.178 -14.729 1.00 0.00 C ATOM 2035 O ALA A 131 -2.679 -8.329 -14.309 1.00 0.00 O ATOM 2036 CB ALA A 131 -3.280 -6.363 -17.030 1.00 0.00 C ATOM 0 H ALA A 131 -3.835 -4.461 -15.588 1.00 0.00 H new ATOM 0 HA ALA A 131 -4.537 -7.230 -15.549 1.00 0.00 H new ATOM 0 HB1 ALA A 131 -3.008 -7.328 -17.458 1.00 0.00 H new ATOM 0 HB2 ALA A 131 -4.115 -5.941 -17.589 1.00 0.00 H new ATOM 0 HB3 ALA A 131 -2.427 -5.687 -17.088 1.00 0.00 H new ATOM 2042 N GLN A 132 -1.525 -6.394 -14.510 1.00 0.00 N ATOM 2043 CA GLN A 132 -0.392 -6.859 -13.729 1.00 0.00 C ATOM 2044 C GLN A 132 -0.867 -7.427 -12.389 1.00 0.00 C ATOM 2045 O GLN A 132 -0.382 -8.467 -11.945 1.00 0.00 O ATOM 2046 CB GLN A 132 0.627 -5.737 -13.519 1.00 0.00 C ATOM 2047 CG GLN A 132 1.871 -5.958 -14.380 1.00 0.00 C ATOM 2048 CD GLN A 132 2.230 -4.692 -15.161 1.00 0.00 C ATOM 2049 OE1 GLN A 132 2.131 -3.580 -14.670 1.00 0.00 O ATOM 2050 NE2 GLN A 132 2.649 -4.922 -16.402 1.00 0.00 N ATOM 0 H GLN A 132 -1.439 -5.440 -14.860 1.00 0.00 H new ATOM 0 HA GLN A 132 0.104 -7.656 -14.284 1.00 0.00 H new ATOM 0 HB2 GLN A 132 0.173 -4.778 -13.768 1.00 0.00 H new ATOM 0 HB3 GLN A 132 0.911 -5.691 -12.468 1.00 0.00 H new ATOM 0 HG2 GLN A 132 2.709 -6.249 -13.746 1.00 0.00 H new ATOM 0 HG3 GLN A 132 1.696 -6.780 -15.074 1.00 0.00 H new ATOM 0 HE21 GLN A 132 2.709 -5.879 -16.751 1.00 0.00 H new ATOM 0 HE22 GLN A 132 2.911 -4.142 -17.005 1.00 0.00 H new ATOM 2059 N ALA A 133 -1.810 -6.719 -11.784 1.00 0.00 N ATOM 2060 CA ALA A 133 -2.355 -7.140 -10.504 1.00 0.00 C ATOM 2061 C ALA A 133 -2.864 -8.578 -10.621 1.00 0.00 C ATOM 2062 O ALA A 133 -2.595 -9.407 -9.753 1.00 0.00 O ATOM 2063 CB ALA A 133 -3.453 -6.165 -10.074 1.00 0.00 C ATOM 0 H ALA A 133 -2.210 -5.858 -12.156 1.00 0.00 H new ATOM 0 HA ALA A 133 -1.585 -7.125 -9.733 1.00 0.00 H new ATOM 0 HB1 ALA A 133 -3.863 -6.479 -9.114 1.00 0.00 H new ATOM 0 HB2 ALA A 133 -3.034 -5.163 -9.979 1.00 0.00 H new ATOM 0 HB3 ALA A 133 -4.246 -6.157 -10.822 1.00 0.00 H new ATOM 2069 N LEU A 134 -3.591 -8.830 -11.699 1.00 0.00 N ATOM 2070 CA LEU A 134 -4.140 -10.154 -11.940 1.00 0.00 C ATOM 2071 C LEU A 134 -2.996 -11.165 -12.046 1.00 0.00 C ATOM 2072 O LEU A 134 -3.037 -12.221 -11.418 1.00 0.00 O ATOM 2073 CB LEU A 134 -5.061 -10.138 -13.160 1.00 0.00 C ATOM 2074 CG LEU A 134 -6.204 -9.120 -13.126 1.00 0.00 C ATOM 2075 CD1 LEU A 134 -7.330 -9.527 -14.077 1.00 0.00 C ATOM 2076 CD2 LEU A 134 -6.707 -8.911 -11.696 1.00 0.00 C ATOM 0 H LEU A 134 -3.813 -8.140 -12.416 1.00 0.00 H new ATOM 0 HA LEU A 134 -4.764 -10.465 -11.102 1.00 0.00 H new ATOM 0 HB2 LEU A 134 -4.455 -9.944 -14.045 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -5.491 -11.133 -13.279 1.00 0.00 H new ATOM 0 HG LEU A 134 -5.820 -8.162 -13.476 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -8.129 -8.787 -14.033 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -6.944 -9.584 -15.095 1.00 0.00 H new ATOM 0 HD13 LEU A 134 -7.721 -10.501 -13.782 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -7.519 -8.184 -11.698 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -7.070 -9.858 -11.296 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -5.892 -8.543 -11.074 1.00 0.00 H new