USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 523 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 39 THR OG1 : rot -66:sc= 0.23 USER MOD Set 1.2: A 69 THR OG1 : rot 160:sc= 0.168 USER MOD Set 2.1: A 14 THR OG1 : rot -77:sc= 0.0317 USER MOD Set 2.2: A 17 SER OG : rot -130:sc= 0.389 USER MOD Single : A 16 THR OG1 : rot 180:sc= -1.1! USER MOD Single : A 21 SER OG : rot 110:sc= 0 USER MOD Single : A 31 TYR OH : rot 150:sc= -1.79! USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -21:sc= 0.855! USER MOD Single : A 36 TYR OH : rot -109:sc= -0.707! USER MOD Single : A 46 GLN : amide:sc= -2.64! C(o=-2.6!,f=-2.6!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot -77:sc= 0.812 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= -0.266 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 112:sc= -1.33 USER MOD Single : A 71 THR OG1 : rot 180:sc= -1.99 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 ASN : amide:sc= -3.96! C(o=-4!,f=-2!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 123:sc= -0.364 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 8.878 2.113 -6.886 1.00 0.00 N ATOM 109 CA LEU A 8 7.841 1.040 -6.804 1.00 0.00 C ATOM 110 C LEU A 8 8.495 -0.321 -6.614 1.00 0.00 C ATOM 111 O LEU A 8 9.197 -0.794 -7.487 1.00 0.00 O ATOM 112 CB LEU A 8 7.057 1.014 -8.131 1.00 0.00 C ATOM 113 CG LEU A 8 5.857 1.958 -8.041 1.00 0.00 C ATOM 114 CD1 LEU A 8 6.355 3.389 -7.882 1.00 0.00 C ATOM 115 CD2 LEU A 8 5.039 1.850 -9.330 1.00 0.00 C ATOM 0 HA LEU A 8 7.184 1.246 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.706 1.313 -8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.719 0.000 -8.345 1.00 0.00 H new ATOM 0 HG LEU A 8 5.238 1.688 -7.186 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.503 4.066 -7.817 1.00 0.00 H new ATOM 0 HD12 LEU A 8 6.951 3.468 -6.973 1.00 0.00 H new ATOM 0 HD13 LEU A 8 6.968 3.659 -8.742 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.181 2.520 -9.274 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.662 2.128 -10.180 1.00 0.00 H new ATOM 0 HD23 LEU A 8 4.691 0.825 -9.455 1.00 0.00 H new ATOM 127 N GLU A 9 8.263 -0.942 -5.479 1.00 0.00 N ATOM 128 CA GLU A 9 8.890 -2.277 -5.264 1.00 0.00 C ATOM 129 C GLU A 9 8.346 -2.982 -4.020 1.00 0.00 C ATOM 130 O GLU A 9 7.531 -2.444 -3.294 1.00 0.00 O ATOM 131 CB GLU A 9 10.410 -2.080 -5.094 1.00 0.00 C ATOM 132 CG GLU A 9 10.686 -0.777 -4.325 1.00 0.00 C ATOM 133 CD GLU A 9 9.854 -0.750 -3.037 1.00 0.00 C ATOM 134 OE1 GLU A 9 10.376 -1.233 -2.044 1.00 0.00 O ATOM 135 OE2 GLU A 9 8.747 -0.246 -3.118 1.00 0.00 O ATOM 0 H GLU A 9 7.684 -0.591 -4.716 1.00 0.00 H new ATOM 0 HA GLU A 9 8.658 -2.900 -6.127 1.00 0.00 H new ATOM 0 HB2 GLU A 9 10.837 -2.927 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 9 10.893 -2.045 -6.071 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.747 -0.703 -4.086 1.00 0.00 H new ATOM 0 HG3 GLU A 9 10.439 0.083 -4.947 1.00 0.00 H new ATOM 142 N VAL A 10 8.814 -4.192 -3.812 1.00 0.00 N ATOM 143 CA VAL A 10 8.359 -4.976 -2.633 1.00 0.00 C ATOM 144 C VAL A 10 9.342 -4.820 -1.478 1.00 0.00 C ATOM 145 O VAL A 10 10.533 -4.990 -1.654 1.00 0.00 O ATOM 146 CB VAL A 10 8.305 -6.457 -3.037 1.00 0.00 C ATOM 147 CG1 VAL A 10 7.990 -7.303 -1.802 1.00 0.00 C ATOM 148 CG2 VAL A 10 7.204 -6.652 -4.083 1.00 0.00 C ATOM 0 H VAL A 10 9.491 -4.664 -4.411 1.00 0.00 H new ATOM 0 HA VAL A 10 7.380 -4.618 -2.314 1.00 0.00 H new ATOM 0 HB VAL A 10 9.264 -6.763 -3.454 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.950 -8.356 -2.082 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.768 -7.156 -1.052 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.027 -7.001 -1.390 1.00 0.00 H new ATOM 0 HG21 VAL A 10 7.160 -7.702 -4.374 1.00 0.00 H new ATOM 0 HG22 VAL A 10 6.245 -6.352 -3.662 1.00 0.00 H new ATOM 0 HG23 VAL A 10 7.422 -6.041 -4.959 1.00 0.00 H new ATOM 158 N VAL A 11 8.827 -4.499 -0.313 1.00 0.00 N ATOM 159 CA VAL A 11 9.713 -4.328 0.855 1.00 0.00 C ATOM 160 C VAL A 11 9.679 -5.545 1.774 1.00 0.00 C ATOM 161 O VAL A 11 10.436 -5.623 2.721 1.00 0.00 O ATOM 162 CB VAL A 11 9.209 -3.121 1.640 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.578 -1.837 0.890 1.00 0.00 C ATOM 164 CG2 VAL A 11 7.687 -3.215 1.779 1.00 0.00 C ATOM 0 H VAL A 11 7.834 -4.351 -0.133 1.00 0.00 H new ATOM 0 HA VAL A 11 10.737 -4.196 0.505 1.00 0.00 H new ATOM 0 HB VAL A 11 9.667 -3.105 2.629 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.219 -0.973 1.449 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.661 -1.776 0.784 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.117 -1.847 -0.098 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.319 -2.355 2.339 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.231 -3.225 0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.426 -4.132 2.308 1.00 0.00 H new ATOM 174 N ALA A 12 8.808 -6.472 1.487 1.00 0.00 N ATOM 175 CA ALA A 12 8.734 -7.678 2.354 1.00 0.00 C ATOM 176 C ALA A 12 7.872 -8.772 1.731 1.00 0.00 C ATOM 177 O ALA A 12 7.073 -8.519 0.848 1.00 0.00 O ATOM 178 CB ALA A 12 8.105 -7.265 3.693 1.00 0.00 C ATOM 0 H ALA A 12 8.155 -6.448 0.704 1.00 0.00 H new ATOM 0 HA ALA A 12 9.741 -8.073 2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.040 -8.134 4.348 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.723 -6.501 4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 12 7.106 -6.867 3.518 1.00 0.00 H new ATOM 184 N ALA A 13 8.054 -9.975 2.213 1.00 0.00 N ATOM 185 CA ALA A 13 7.267 -11.113 1.677 1.00 0.00 C ATOM 186 C ALA A 13 7.178 -12.234 2.716 1.00 0.00 C ATOM 187 O ALA A 13 8.182 -12.654 3.258 1.00 0.00 O ATOM 188 CB ALA A 13 7.987 -11.651 0.429 1.00 0.00 C ATOM 0 H ALA A 13 8.714 -10.213 2.954 1.00 0.00 H new ATOM 0 HA ALA A 13 6.260 -10.776 1.432 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.425 -12.490 0.018 1.00 0.00 H new ATOM 0 HB2 ALA A 13 8.059 -10.861 -0.318 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.988 -11.984 0.702 1.00 0.00 H new ATOM 194 N THR A 14 5.974 -12.697 2.974 1.00 0.00 N ATOM 195 CA THR A 14 5.802 -13.789 3.974 1.00 0.00 C ATOM 196 C THR A 14 4.791 -14.824 3.469 1.00 0.00 C ATOM 197 O THR A 14 4.062 -14.569 2.531 1.00 0.00 O ATOM 198 CB THR A 14 5.274 -13.171 5.280 1.00 0.00 C ATOM 199 OG1 THR A 14 4.065 -13.847 5.551 1.00 0.00 O ATOM 200 CG2 THR A 14 4.858 -11.709 5.073 1.00 0.00 C ATOM 0 H THR A 14 5.114 -12.366 2.537 1.00 0.00 H new ATOM 0 HA THR A 14 6.759 -14.284 4.137 1.00 0.00 H new ATOM 0 HB THR A 14 6.040 -13.242 6.053 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.360 -13.505 4.963 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.489 -11.299 6.013 1.00 0.00 H new ATOM 0 HG22 THR A 14 5.718 -11.130 4.737 1.00 0.00 H new ATOM 0 HG23 THR A 14 4.071 -11.658 4.321 1.00 0.00 H new ATOM 208 N PRO A 15 4.765 -15.994 4.105 1.00 0.00 N ATOM 209 CA PRO A 15 3.844 -17.048 3.707 1.00 0.00 C ATOM 210 C PRO A 15 2.398 -16.553 3.653 1.00 0.00 C ATOM 211 O PRO A 15 1.764 -16.365 4.670 1.00 0.00 O ATOM 212 CB PRO A 15 3.987 -18.136 4.792 1.00 0.00 C ATOM 213 CG PRO A 15 5.158 -17.710 5.727 1.00 0.00 C ATOM 214 CD PRO A 15 5.644 -16.332 5.249 1.00 0.00 C ATOM 0 HA PRO A 15 4.078 -17.412 2.707 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.061 -18.237 5.358 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.191 -19.106 4.338 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.824 -17.662 6.764 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.967 -18.439 5.686 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.564 -15.588 6.042 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.691 -16.365 4.947 1.00 0.00 H new ATOM 222 N THR A 16 1.918 -16.345 2.451 1.00 0.00 N ATOM 223 CA THR A 16 0.517 -15.863 2.265 1.00 0.00 C ATOM 224 C THR A 16 0.383 -14.369 2.536 1.00 0.00 C ATOM 225 O THR A 16 -0.631 -13.924 3.038 1.00 0.00 O ATOM 226 CB THR A 16 -0.407 -16.615 3.229 1.00 0.00 C ATOM 227 OG1 THR A 16 0.169 -17.895 3.390 1.00 0.00 O ATOM 228 CG2 THR A 16 -1.768 -16.884 2.569 1.00 0.00 C ATOM 0 H THR A 16 2.441 -16.490 1.587 1.00 0.00 H new ATOM 0 HA THR A 16 0.241 -16.049 1.227 1.00 0.00 H new ATOM 0 HB THR A 16 -0.528 -16.041 4.148 1.00 0.00 H new ATOM 0 HG1 THR A 16 -0.381 -18.427 4.003 1.00 0.00 H new ATOM 0 HG21 THR A 16 -2.412 -17.419 3.267 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.234 -15.937 2.298 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.625 -17.488 1.673 1.00 0.00 H new ATOM 236 N SER A 17 1.396 -13.613 2.206 1.00 0.00 N ATOM 237 CA SER A 17 1.304 -12.150 2.452 1.00 0.00 C ATOM 238 C SER A 17 2.446 -11.392 1.782 1.00 0.00 C ATOM 239 O SER A 17 3.601 -11.707 1.979 1.00 0.00 O ATOM 240 CB SER A 17 1.374 -11.908 3.966 1.00 0.00 C ATOM 241 OG SER A 17 2.176 -12.972 4.450 1.00 0.00 O ATOM 0 H SER A 17 2.266 -13.939 1.785 1.00 0.00 H new ATOM 0 HA SER A 17 0.365 -11.788 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.817 -10.939 4.195 1.00 0.00 H new ATOM 0 HB3 SER A 17 0.382 -11.919 4.418 1.00 0.00 H new ATOM 0 HG SER A 17 1.725 -13.404 5.206 1.00 0.00 H new ATOM 247 N LEU A 18 2.088 -10.403 0.992 1.00 0.00 N ATOM 248 CA LEU A 18 3.123 -9.596 0.288 1.00 0.00 C ATOM 249 C LEU A 18 2.929 -8.113 0.593 1.00 0.00 C ATOM 250 O LEU A 18 1.850 -7.579 0.419 1.00 0.00 O ATOM 251 CB LEU A 18 2.972 -9.823 -1.225 1.00 0.00 C ATOM 252 CG LEU A 18 4.225 -9.312 -1.941 1.00 0.00 C ATOM 253 CD1 LEU A 18 5.171 -10.486 -2.198 1.00 0.00 C ATOM 254 CD2 LEU A 18 3.822 -8.689 -3.280 1.00 0.00 C ATOM 0 H LEU A 18 1.124 -10.125 0.809 1.00 0.00 H new ATOM 0 HA LEU A 18 4.114 -9.900 0.624 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.827 -10.883 -1.433 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.089 -9.302 -1.596 1.00 0.00 H new ATOM 0 HG LEU A 18 4.723 -8.565 -1.323 1.00 0.00 H new ATOM 0 HD11 LEU A 18 6.065 -10.128 -2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.452 -10.941 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.670 -11.227 -2.821 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.711 -8.324 -3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 18 3.329 -9.440 -3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.138 -7.859 -3.104 1.00 0.00 H new ATOM 266 N LEU A 19 3.981 -7.478 1.046 1.00 0.00 N ATOM 267 CA LEU A 19 3.887 -6.025 1.375 1.00 0.00 C ATOM 268 C LEU A 19 4.538 -5.163 0.293 1.00 0.00 C ATOM 269 O LEU A 19 5.738 -5.212 0.100 1.00 0.00 O ATOM 270 CB LEU A 19 4.636 -5.794 2.704 1.00 0.00 C ATOM 271 CG LEU A 19 4.226 -4.437 3.304 1.00 0.00 C ATOM 272 CD1 LEU A 19 2.747 -4.472 3.722 1.00 0.00 C ATOM 273 CD2 LEU A 19 5.088 -4.159 4.542 1.00 0.00 C ATOM 0 H LEU A 19 4.896 -7.901 1.201 1.00 0.00 H new ATOM 0 HA LEU A 19 2.836 -5.745 1.447 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.407 -6.596 3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.712 -5.817 2.534 1.00 0.00 H new ATOM 0 HG LEU A 19 4.371 -3.655 2.559 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.466 -3.508 4.145 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.127 -4.680 2.850 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.598 -5.253 4.468 1.00 0.00 H new ATOM 0 HD21 LEU A 19 4.805 -3.199 4.974 1.00 0.00 H new ATOM 0 HD22 LEU A 19 4.933 -4.948 5.278 1.00 0.00 H new ATOM 0 HD23 LEU A 19 6.139 -4.132 4.255 1.00 0.00 H new ATOM 285 N ILE A 20 3.725 -4.383 -0.389 1.00 0.00 N ATOM 286 CA ILE A 20 4.267 -3.503 -1.467 1.00 0.00 C ATOM 287 C ILE A 20 4.203 -2.050 -1.020 1.00 0.00 C ATOM 288 O ILE A 20 3.446 -1.702 -0.133 1.00 0.00 O ATOM 289 CB ILE A 20 3.410 -3.697 -2.761 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.681 -2.389 -3.172 1.00 0.00 C ATOM 291 CG2 ILE A 20 2.349 -4.775 -2.468 1.00 0.00 C ATOM 292 CD1 ILE A 20 1.867 -2.628 -4.450 1.00 0.00 C ATOM 0 H ILE A 20 2.717 -4.322 -0.243 1.00 0.00 H new ATOM 0 HA ILE A 20 5.305 -3.766 -1.672 1.00 0.00 H new ATOM 0 HB ILE A 20 4.072 -3.986 -3.577 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.024 -2.060 -2.367 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.407 -1.593 -3.336 1.00 0.00 H new ATOM 0 HG21 ILE A 20 1.735 -4.932 -3.355 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.843 -5.709 -2.199 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.717 -4.448 -1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.357 -1.707 -4.734 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.535 -2.936 -5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.130 -3.410 -4.271 1.00 0.00 H new ATOM 304 N SER A 21 4.992 -1.230 -1.640 1.00 0.00 N ATOM 305 CA SER A 21 4.989 0.203 -1.267 1.00 0.00 C ATOM 306 C SER A 21 5.545 1.048 -2.391 1.00 0.00 C ATOM 307 O SER A 21 6.433 0.615 -3.115 1.00 0.00 O ATOM 308 CB SER A 21 5.876 0.392 -0.026 1.00 0.00 C ATOM 309 OG SER A 21 6.850 -0.627 -0.140 1.00 0.00 O ATOM 0 H SER A 21 5.637 -1.488 -2.387 1.00 0.00 H new ATOM 0 HA SER A 21 3.964 0.513 -1.064 1.00 0.00 H new ATOM 0 HB2 SER A 21 6.334 1.381 -0.010 1.00 0.00 H new ATOM 0 HB3 SER A 21 5.301 0.292 0.894 1.00 0.00 H new ATOM 0 HG SER A 21 7.720 -0.226 -0.347 1.00 0.00 H new ATOM 315 N TRP A 22 5.007 2.241 -2.531 1.00 0.00 N ATOM 316 CA TRP A 22 5.494 3.130 -3.608 1.00 0.00 C ATOM 317 C TRP A 22 5.697 4.557 -3.105 1.00 0.00 C ATOM 318 O TRP A 22 5.905 4.770 -1.924 1.00 0.00 O ATOM 319 CB TRP A 22 4.511 3.088 -4.808 1.00 0.00 C ATOM 320 CG TRP A 22 3.181 3.771 -4.489 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.842 4.964 -4.945 1.00 0.00 C ATOM 322 CD2 TRP A 22 2.197 3.230 -3.800 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.584 5.132 -4.501 1.00 0.00 N ATOM 324 CE2 TRP A 22 1.100 4.072 -3.759 1.00 0.00 C ATOM 325 CE3 TRP A 22 2.134 1.998 -3.171 1.00 0.00 C ATOM 326 CZ2 TRP A 22 -0.043 3.692 -3.089 1.00 0.00 C ATOM 327 CZ3 TRP A 22 0.987 1.620 -2.502 1.00 0.00 C ATOM 328 CH2 TRP A 22 -0.100 2.467 -2.462 1.00 0.00 C ATOM 0 H TRP A 22 4.262 2.622 -1.948 1.00 0.00 H new ATOM 0 HA TRP A 22 6.467 2.770 -3.942 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.970 3.574 -5.669 1.00 0.00 H new ATOM 0 HB3 TRP A 22 4.327 2.051 -5.089 1.00 0.00 H new ATOM 0 HD1 TRP A 22 3.436 5.645 -5.536 1.00 0.00 H new ATOM 0 HE1 TRP A 22 1.035 5.969 -4.695 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.983 1.332 -3.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.895 4.355 -3.056 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.941 0.660 -2.010 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.997 2.170 -1.939 1.00 0.00 H new ATOM 415 N VAL A 29 -3.534 15.059 -3.623 1.00 0.00 N ATOM 416 CA VAL A 29 -3.937 13.967 -4.543 1.00 0.00 C ATOM 417 C VAL A 29 -5.293 13.417 -4.139 1.00 0.00 C ATOM 418 O VAL A 29 -5.570 13.250 -2.968 1.00 0.00 O ATOM 419 CB VAL A 29 -2.905 12.837 -4.433 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.462 11.580 -5.109 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.614 13.263 -5.134 1.00 0.00 C ATOM 0 HA VAL A 29 -3.991 14.353 -5.561 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.697 12.627 -3.384 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.733 10.773 -5.034 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.386 11.281 -4.615 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.663 11.791 -6.159 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.878 12.463 -5.058 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.821 13.468 -6.184 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.222 14.163 -4.660 1.00 0.00 H new ATOM 431 N ARG A 30 -6.119 13.144 -5.107 1.00 0.00 N ATOM 432 CA ARG A 30 -7.454 12.606 -4.773 1.00 0.00 C ATOM 433 C ARG A 30 -7.336 11.187 -4.241 1.00 0.00 C ATOM 434 O ARG A 30 -7.454 10.958 -3.053 1.00 0.00 O ATOM 435 CB ARG A 30 -8.318 12.608 -6.041 1.00 0.00 C ATOM 436 CG ARG A 30 -9.412 13.657 -5.873 1.00 0.00 C ATOM 437 CD ARG A 30 -10.278 13.697 -7.128 1.00 0.00 C ATOM 438 NE ARG A 30 -11.667 14.069 -6.737 1.00 0.00 N ATOM 439 CZ ARG A 30 -12.268 15.045 -7.358 1.00 0.00 C ATOM 440 NH1 ARG A 30 -11.964 16.272 -7.040 1.00 0.00 N ATOM 441 NH2 ARG A 30 -13.161 14.760 -8.267 1.00 0.00 N ATOM 0 H ARG A 30 -5.927 13.269 -6.101 1.00 0.00 H new ATOM 0 HA ARG A 30 -7.912 13.228 -4.004 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.708 12.832 -6.916 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.757 11.624 -6.203 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -10.025 13.422 -5.003 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -8.967 14.636 -5.694 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -9.879 14.420 -7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.272 12.726 -7.623 1.00 0.00 H new ATOM 0 HE ARG A 30 -12.144 13.564 -5.990 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.267 16.454 -6.317 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -12.423 17.050 -7.514 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -13.378 13.787 -8.481 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -13.641 15.511 -8.763 1.00 0.00 H new ATOM 455 N TYR A 31 -7.104 10.255 -5.124 1.00 0.00 N ATOM 456 CA TYR A 31 -6.976 8.849 -4.667 1.00 0.00 C ATOM 457 C TYR A 31 -6.115 8.026 -5.618 1.00 0.00 C ATOM 458 O TYR A 31 -5.806 8.446 -6.722 1.00 0.00 O ATOM 459 CB TYR A 31 -8.372 8.206 -4.600 1.00 0.00 C ATOM 460 CG TYR A 31 -9.425 9.184 -5.107 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.773 9.213 -6.443 1.00 0.00 C ATOM 462 CD2 TYR A 31 -10.065 10.032 -4.230 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.752 10.075 -6.892 1.00 0.00 C ATOM 464 CE2 TYR A 31 -11.042 10.893 -4.677 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.395 10.922 -6.012 1.00 0.00 C ATOM 466 OH TYR A 31 -12.383 11.776 -6.458 1.00 0.00 O ATOM 0 H TYR A 31 -6.999 10.405 -6.127 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.502 8.861 -3.685 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.391 7.296 -5.200 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.598 7.916 -3.574 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.275 8.556 -7.141 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.798 10.021 -3.184 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.017 10.087 -7.939 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.536 11.551 -3.978 1.00 0.00 H new ATOM 0 HH TYR A 31 -13.031 11.931 -5.739 1.00 0.00 H new ATOM 476 N TYR A 32 -5.751 6.860 -5.158 1.00 0.00 N ATOM 477 CA TYR A 32 -4.912 5.950 -5.975 1.00 0.00 C ATOM 478 C TYR A 32 -5.623 4.615 -6.123 1.00 0.00 C ATOM 479 O TYR A 32 -6.450 4.268 -5.302 1.00 0.00 O ATOM 480 CB TYR A 32 -3.599 5.697 -5.208 1.00 0.00 C ATOM 481 CG TYR A 32 -2.446 6.520 -5.791 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.168 7.775 -5.292 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.617 5.989 -6.762 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.078 8.486 -5.748 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.525 6.704 -7.218 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.251 7.958 -6.712 1.00 0.00 C ATOM 487 OH TYR A 32 0.845 8.666 -7.143 1.00 0.00 O ATOM 0 H TYR A 32 -6.005 6.499 -4.239 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.725 6.392 -6.954 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -3.735 5.951 -4.157 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.349 4.637 -5.250 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -2.810 8.205 -4.537 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.824 5.009 -7.167 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -0.872 9.466 -5.345 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.117 6.278 -7.975 1.00 0.00 H new ATOM 0 HH TYR A 32 1.321 8.148 -7.825 1.00 0.00 H new ATOM 497 N ARG A 33 -5.301 3.889 -7.156 1.00 0.00 N ATOM 498 CA ARG A 33 -5.965 2.573 -7.346 1.00 0.00 C ATOM 499 C ARG A 33 -4.965 1.569 -7.836 1.00 0.00 C ATOM 500 O ARG A 33 -4.499 1.635 -8.958 1.00 0.00 O ATOM 501 CB ARG A 33 -7.117 2.712 -8.357 1.00 0.00 C ATOM 502 CG ARG A 33 -7.951 1.428 -8.354 1.00 0.00 C ATOM 503 CD ARG A 33 -9.086 1.567 -9.371 1.00 0.00 C ATOM 504 NE ARG A 33 -10.030 2.623 -8.905 1.00 0.00 N ATOM 505 CZ ARG A 33 -10.623 3.387 -9.780 1.00 0.00 C ATOM 506 NH1 ARG A 33 -9.991 4.434 -10.237 1.00 0.00 N ATOM 507 NH2 ARG A 33 -11.829 3.079 -10.171 1.00 0.00 N ATOM 0 H ARG A 33 -4.616 4.146 -7.867 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.371 2.232 -6.394 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -7.743 3.566 -8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -6.720 2.899 -9.355 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.324 0.572 -8.604 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -8.357 1.246 -7.359 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -8.684 1.827 -10.350 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -9.609 0.617 -9.483 1.00 0.00 H new ATOM 0 HE ARG A 33 -10.211 2.747 -7.909 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.048 4.644 -9.909 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.440 5.042 -10.922 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -12.292 2.253 -9.793 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -12.309 3.665 -10.855 1.00 0.00 H new ATOM 521 N ILE A 34 -4.650 0.648 -6.978 1.00 0.00 N ATOM 522 CA ILE A 34 -3.669 -0.392 -7.354 1.00 0.00 C ATOM 523 C ILE A 34 -4.357 -1.639 -7.864 1.00 0.00 C ATOM 524 O ILE A 34 -5.180 -2.223 -7.186 1.00 0.00 O ATOM 525 CB ILE A 34 -2.842 -0.740 -6.118 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.144 0.520 -5.609 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.770 -1.784 -6.518 1.00 0.00 C ATOM 528 CD1 ILE A 34 -2.937 1.100 -4.436 1.00 0.00 C ATOM 0 H ILE A 34 -5.030 0.572 -6.034 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.034 -0.009 -8.153 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.488 -1.142 -5.337 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.127 0.284 -5.294 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.067 1.255 -6.410 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.171 -2.043 -5.645 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.259 -2.680 -6.901 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.124 -1.365 -7.290 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -2.441 1.999 -4.071 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.945 1.350 -4.767 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.991 0.364 -3.634 1.00 0.00 H new ATOM 540 N THR A 35 -4.000 -2.019 -9.059 1.00 0.00 N ATOM 541 CA THR A 35 -4.602 -3.227 -9.669 1.00 0.00 C ATOM 542 C THR A 35 -3.509 -4.179 -10.101 1.00 0.00 C ATOM 543 O THR A 35 -2.557 -3.771 -10.735 1.00 0.00 O ATOM 544 CB THR A 35 -5.395 -2.805 -10.914 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.434 -2.703 -11.946 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.957 -1.374 -10.774 1.00 0.00 C ATOM 0 H THR A 35 -3.312 -1.539 -9.639 1.00 0.00 H new ATOM 0 HA THR A 35 -5.252 -3.716 -8.943 1.00 0.00 H new ATOM 0 HB THR A 35 -6.207 -3.512 -11.082 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.543 -2.589 -11.553 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.512 -1.111 -11.675 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.622 -1.327 -9.912 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.135 -0.672 -10.637 1.00 0.00 H new ATOM 554 N TYR A 36 -3.649 -5.436 -9.753 1.00 0.00 N ATOM 555 CA TYR A 36 -2.593 -6.404 -10.160 1.00 0.00 C ATOM 556 C TYR A 36 -3.158 -7.774 -10.493 1.00 0.00 C ATOM 557 O TYR A 36 -4.314 -8.073 -10.216 1.00 0.00 O ATOM 558 CB TYR A 36 -1.579 -6.549 -9.012 1.00 0.00 C ATOM 559 CG TYR A 36 -2.266 -6.294 -7.667 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.387 -7.009 -7.303 1.00 0.00 C ATOM 561 CD2 TYR A 36 -1.758 -5.358 -6.789 1.00 0.00 C ATOM 562 CE1 TYR A 36 -3.986 -6.794 -6.085 1.00 0.00 C ATOM 563 CE2 TYR A 36 -2.360 -5.146 -5.571 1.00 0.00 C ATOM 564 CZ TYR A 36 -3.478 -5.863 -5.210 1.00 0.00 C ATOM 565 OH TYR A 36 -4.070 -5.661 -3.990 1.00 0.00 O ATOM 0 H TYR A 36 -4.428 -5.822 -9.219 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.118 -6.014 -11.060 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.145 -7.549 -9.024 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.759 -5.844 -9.150 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -3.798 -7.744 -7.980 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.882 -4.788 -7.060 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.864 -7.361 -5.813 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -1.952 -4.411 -4.892 1.00 0.00 H new ATOM 0 HH TYR A 36 -4.522 -4.791 -3.986 1.00 0.00 H new ATOM 575 N GLY A 37 -2.319 -8.581 -11.095 1.00 0.00 N ATOM 576 CA GLY A 37 -2.742 -9.950 -11.476 1.00 0.00 C ATOM 577 C GLY A 37 -1.657 -10.611 -12.340 1.00 0.00 C ATOM 578 O GLY A 37 -0.835 -9.934 -12.924 1.00 0.00 O ATOM 0 H GLY A 37 -1.357 -8.343 -11.337 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -2.921 -10.547 -10.582 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.682 -9.910 -12.026 1.00 0.00 H new ATOM 582 N GLU A 38 -1.675 -11.915 -12.401 1.00 0.00 N ATOM 583 CA GLU A 38 -0.653 -12.617 -13.219 1.00 0.00 C ATOM 584 C GLU A 38 -0.681 -12.132 -14.665 1.00 0.00 C ATOM 585 O GLU A 38 -1.655 -11.559 -15.112 1.00 0.00 O ATOM 586 CB GLU A 38 -0.958 -14.123 -13.198 1.00 0.00 C ATOM 587 CG GLU A 38 0.203 -14.859 -12.527 1.00 0.00 C ATOM 588 CD GLU A 38 -0.173 -16.329 -12.331 1.00 0.00 C ATOM 589 OE1 GLU A 38 -1.044 -16.561 -11.510 1.00 0.00 O ATOM 590 OE2 GLU A 38 0.435 -17.136 -13.015 1.00 0.00 O ATOM 0 H GLU A 38 -2.347 -12.517 -11.924 1.00 0.00 H new ATOM 0 HA GLU A 38 0.332 -12.411 -12.801 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.885 -14.311 -12.657 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.101 -14.492 -14.214 1.00 0.00 H new ATOM 0 HG2 GLU A 38 1.101 -14.780 -13.140 1.00 0.00 H new ATOM 0 HG3 GLU A 38 0.432 -14.399 -11.566 1.00 0.00 H new ATOM 597 N THR A 39 0.392 -12.372 -15.370 1.00 0.00 N ATOM 598 CA THR A 39 0.448 -11.934 -16.786 1.00 0.00 C ATOM 599 C THR A 39 -0.558 -12.706 -17.629 1.00 0.00 C ATOM 600 O THR A 39 -1.041 -13.745 -17.220 1.00 0.00 O ATOM 601 CB THR A 39 1.858 -12.209 -17.324 1.00 0.00 C ATOM 602 OG1 THR A 39 2.729 -11.947 -16.242 1.00 0.00 O ATOM 603 CG2 THR A 39 2.246 -11.174 -18.391 1.00 0.00 C ATOM 0 H THR A 39 1.225 -12.850 -15.026 1.00 0.00 H new ATOM 0 HA THR A 39 0.209 -10.872 -16.840 1.00 0.00 H new ATOM 0 HB THR A 39 1.907 -13.218 -17.734 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.696 -10.993 -16.019 1.00 0.00 H new ATOM 0 HG21 THR A 39 3.250 -11.389 -18.758 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.539 -11.222 -19.219 1.00 0.00 H new ATOM 0 HG23 THR A 39 2.225 -10.176 -17.954 1.00 0.00 H new ATOM 664 N VAL A 45 -6.004 -10.665 -10.464 1.00 0.00 N ATOM 665 CA VAL A 45 -6.142 -10.984 -9.023 1.00 0.00 C ATOM 666 C VAL A 45 -7.174 -10.098 -8.354 1.00 0.00 C ATOM 667 O VAL A 45 -8.271 -10.530 -8.061 1.00 0.00 O ATOM 668 CB VAL A 45 -4.773 -10.763 -8.348 1.00 0.00 C ATOM 669 CG1 VAL A 45 -4.954 -10.623 -6.831 1.00 0.00 C ATOM 670 CG2 VAL A 45 -3.872 -11.962 -8.632 1.00 0.00 C ATOM 0 HA VAL A 45 -6.471 -12.018 -8.921 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.322 -9.853 -8.745 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.983 -10.467 -6.362 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -5.600 -9.771 -6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.408 -11.531 -6.433 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.903 -11.810 -8.157 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.333 -12.866 -8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.735 -12.068 -9.708 1.00 0.00 H new ATOM 680 N GLN A 46 -6.812 -8.878 -8.130 1.00 0.00 N ATOM 681 CA GLN A 46 -7.773 -7.950 -7.473 1.00 0.00 C ATOM 682 C GLN A 46 -7.243 -6.520 -7.488 1.00 0.00 C ATOM 683 O GLN A 46 -6.070 -6.292 -7.699 1.00 0.00 O ATOM 684 CB GLN A 46 -7.952 -8.416 -6.002 1.00 0.00 C ATOM 685 CG GLN A 46 -8.893 -7.459 -5.241 1.00 0.00 C ATOM 686 CD GLN A 46 -10.186 -7.256 -6.038 1.00 0.00 C ATOM 687 OE1 GLN A 46 -10.720 -8.177 -6.623 1.00 0.00 O ATOM 688 NE2 GLN A 46 -10.722 -6.066 -6.087 1.00 0.00 N ATOM 0 H GLN A 46 -5.904 -8.479 -8.368 1.00 0.00 H new ATOM 0 HA GLN A 46 -8.722 -7.965 -8.009 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -8.359 -9.427 -5.982 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -6.982 -8.452 -5.506 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -9.123 -7.867 -4.257 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -8.400 -6.500 -5.081 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -10.280 -5.287 -5.599 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -11.582 -5.916 -6.614 1.00 0.00 H new ATOM 697 N GLU A 47 -8.122 -5.585 -7.263 1.00 0.00 N ATOM 698 CA GLU A 47 -7.696 -4.166 -7.261 1.00 0.00 C ATOM 699 C GLU A 47 -8.532 -3.342 -6.266 1.00 0.00 C ATOM 700 O GLU A 47 -9.692 -3.634 -6.050 1.00 0.00 O ATOM 701 CB GLU A 47 -7.949 -3.616 -8.664 1.00 0.00 C ATOM 702 CG GLU A 47 -9.459 -3.579 -8.916 1.00 0.00 C ATOM 703 CD GLU A 47 -9.731 -3.719 -10.414 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.189 -4.654 -10.979 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.469 -2.882 -10.910 1.00 0.00 O ATOM 0 H GLU A 47 -9.113 -5.745 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.647 -4.100 -6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.526 -2.616 -8.759 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.458 -4.242 -9.409 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.949 -4.385 -8.370 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -9.877 -2.643 -8.546 1.00 0.00 H new ATOM 712 N PHE A 48 -7.933 -2.323 -5.674 1.00 0.00 N ATOM 713 CA PHE A 48 -8.712 -1.492 -4.702 1.00 0.00 C ATOM 714 C PHE A 48 -8.253 -0.039 -4.719 1.00 0.00 C ATOM 715 O PHE A 48 -7.256 0.291 -5.332 1.00 0.00 O ATOM 716 CB PHE A 48 -8.554 -2.056 -3.269 1.00 0.00 C ATOM 717 CG PHE A 48 -7.117 -2.540 -3.013 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.042 -1.656 -3.053 1.00 0.00 C ATOM 719 CD2 PHE A 48 -6.877 -3.865 -2.685 1.00 0.00 C ATOM 720 CE1 PHE A 48 -4.767 -2.097 -2.771 1.00 0.00 C ATOM 721 CE2 PHE A 48 -5.601 -4.295 -2.402 1.00 0.00 C ATOM 722 CZ PHE A 48 -4.548 -3.413 -2.445 1.00 0.00 C ATOM 0 H PHE A 48 -6.964 -2.041 -5.821 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.759 -1.531 -5.003 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.815 -1.287 -2.542 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -9.250 -2.882 -3.123 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -6.208 -0.619 -3.306 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -7.698 -4.566 -2.651 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -3.938 -1.406 -2.806 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -5.426 -5.329 -2.145 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.548 -3.755 -2.222 1.00 0.00 H new ATOM 732 N THR A 49 -8.998 0.807 -4.036 1.00 0.00 N ATOM 733 CA THR A 49 -8.630 2.248 -3.994 1.00 0.00 C ATOM 734 C THR A 49 -8.020 2.636 -2.664 1.00 0.00 C ATOM 735 O THR A 49 -7.969 1.851 -1.737 1.00 0.00 O ATOM 736 CB THR A 49 -9.900 3.081 -4.189 1.00 0.00 C ATOM 737 OG1 THR A 49 -10.692 2.826 -3.045 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.732 2.550 -5.359 1.00 0.00 C ATOM 0 H THR A 49 -9.837 0.556 -3.513 1.00 0.00 H new ATOM 0 HA THR A 49 -7.897 2.431 -4.780 1.00 0.00 H new ATOM 0 HB THR A 49 -9.633 4.124 -4.356 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.527 3.335 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 49 -11.628 3.160 -5.475 1.00 0.00 H new ATOM 0 HG22 THR A 49 -10.142 2.594 -6.275 1.00 0.00 H new ATOM 0 HG23 THR A 49 -11.019 1.517 -5.162 1.00 0.00 H new ATOM 746 N VAL A 50 -7.568 3.856 -2.601 1.00 0.00 N ATOM 747 CA VAL A 50 -6.953 4.351 -1.359 1.00 0.00 C ATOM 748 C VAL A 50 -6.835 5.909 -1.430 1.00 0.00 C ATOM 749 O VAL A 50 -6.482 6.439 -2.466 1.00 0.00 O ATOM 750 CB VAL A 50 -5.546 3.726 -1.273 1.00 0.00 C ATOM 751 CG1 VAL A 50 -4.688 4.287 -2.394 1.00 0.00 C ATOM 752 CG2 VAL A 50 -4.897 4.065 0.064 1.00 0.00 C ATOM 0 H VAL A 50 -7.602 4.529 -3.366 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.550 4.085 -0.487 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.631 2.643 -1.364 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -3.690 3.851 -2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.141 4.044 -3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -4.617 5.370 -2.290 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.904 3.617 0.111 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -4.812 5.147 0.163 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.510 3.673 0.876 1.00 0.00 H new ATOM 762 N PRO A 51 -7.145 6.629 -0.333 1.00 0.00 N ATOM 763 CA PRO A 51 -7.054 8.102 -0.334 1.00 0.00 C ATOM 764 C PRO A 51 -5.661 8.638 -0.727 1.00 0.00 C ATOM 765 O PRO A 51 -5.372 9.799 -0.522 1.00 0.00 O ATOM 766 CB PRO A 51 -7.373 8.520 1.115 1.00 0.00 C ATOM 767 CG PRO A 51 -7.742 7.229 1.906 1.00 0.00 C ATOM 768 CD PRO A 51 -7.629 6.047 0.934 1.00 0.00 C ATOM 0 HA PRO A 51 -7.739 8.512 -1.076 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -6.514 9.015 1.569 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -8.199 9.231 1.136 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.071 7.094 2.754 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -8.753 7.301 2.307 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -6.937 5.293 1.310 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -8.593 5.556 0.798 1.00 0.00 H new ATOM 776 N GLY A 52 -4.826 7.796 -1.279 1.00 0.00 N ATOM 777 CA GLY A 52 -3.465 8.269 -1.679 1.00 0.00 C ATOM 778 C GLY A 52 -2.742 8.930 -0.501 1.00 0.00 C ATOM 779 O GLY A 52 -1.697 9.526 -0.672 1.00 0.00 O ATOM 0 H GLY A 52 -5.023 6.813 -1.469 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -2.877 7.427 -2.044 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.551 8.979 -2.502 1.00 0.00 H new ATOM 783 N SER A 53 -3.310 8.816 0.667 1.00 0.00 N ATOM 784 CA SER A 53 -2.658 9.433 1.845 1.00 0.00 C ATOM 785 C SER A 53 -1.419 8.644 2.235 1.00 0.00 C ATOM 786 O SER A 53 -0.400 9.214 2.572 1.00 0.00 O ATOM 787 CB SER A 53 -3.648 9.413 3.017 1.00 0.00 C ATOM 788 OG SER A 53 -3.979 10.781 3.217 1.00 0.00 O ATOM 0 H SER A 53 -4.186 8.328 0.852 1.00 0.00 H new ATOM 0 HA SER A 53 -2.367 10.455 1.603 1.00 0.00 H new ATOM 0 HB2 SER A 53 -4.532 8.820 2.782 1.00 0.00 H new ATOM 0 HB3 SER A 53 -3.200 8.977 3.910 1.00 0.00 H new ATOM 0 HG SER A 53 -4.617 10.858 3.957 1.00 0.00 H new ATOM 794 N LYS A 54 -1.538 7.340 2.179 1.00 0.00 N ATOM 795 CA LYS A 54 -0.385 6.468 2.539 1.00 0.00 C ATOM 796 C LYS A 54 0.021 5.621 1.345 1.00 0.00 C ATOM 797 O LYS A 54 -0.741 4.800 0.877 1.00 0.00 O ATOM 798 CB LYS A 54 -0.818 5.539 3.684 1.00 0.00 C ATOM 799 CG LYS A 54 -0.718 6.301 5.006 1.00 0.00 C ATOM 800 CD LYS A 54 -1.654 5.658 6.032 1.00 0.00 C ATOM 801 CE LYS A 54 -1.317 6.200 7.424 1.00 0.00 C ATOM 802 NZ LYS A 54 -0.367 5.289 8.121 1.00 0.00 N ATOM 0 H LYS A 54 -2.385 6.845 1.899 1.00 0.00 H new ATOM 0 HA LYS A 54 0.460 7.086 2.842 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -1.840 5.195 3.524 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -0.184 4.653 3.711 1.00 0.00 H new ATOM 0 HG2 LYS A 54 0.309 6.284 5.372 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -0.986 7.347 4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -2.692 5.878 5.784 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -1.545 4.574 6.014 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -0.880 7.195 7.338 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.229 6.303 8.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.148 5.670 9.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.798 4.348 8.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.510 5.212 7.567 1.00 0.00 H new ATOM 816 N SER A 55 1.217 5.834 0.867 1.00 0.00 N ATOM 817 CA SER A 55 1.680 5.045 -0.297 1.00 0.00 C ATOM 818 C SER A 55 2.152 3.657 0.132 1.00 0.00 C ATOM 819 O SER A 55 3.285 3.279 -0.092 1.00 0.00 O ATOM 820 CB SER A 55 2.846 5.803 -0.960 1.00 0.00 C ATOM 821 OG SER A 55 2.207 6.655 -1.895 1.00 0.00 O ATOM 0 H SER A 55 1.884 6.514 1.231 1.00 0.00 H new ATOM 0 HA SER A 55 0.853 4.917 -0.996 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.421 6.371 -0.229 1.00 0.00 H new ATOM 0 HB3 SER A 55 3.540 5.120 -1.450 1.00 0.00 H new ATOM 0 HG SER A 55 1.932 6.134 -2.678 1.00 0.00 H new ATOM 827 N THR A 56 1.270 2.924 0.751 1.00 0.00 N ATOM 828 CA THR A 56 1.641 1.562 1.203 1.00 0.00 C ATOM 829 C THR A 56 0.402 0.680 1.302 1.00 0.00 C ATOM 830 O THR A 56 -0.678 1.154 1.595 1.00 0.00 O ATOM 831 CB THR A 56 2.272 1.661 2.597 1.00 0.00 C ATOM 832 OG1 THR A 56 1.379 2.454 3.350 1.00 0.00 O ATOM 833 CG2 THR A 56 3.577 2.473 2.563 1.00 0.00 C ATOM 0 H THR A 56 0.314 3.210 0.961 1.00 0.00 H new ATOM 0 HA THR A 56 2.339 1.129 0.487 1.00 0.00 H new ATOM 0 HB THR A 56 2.462 0.660 2.985 1.00 0.00 H new ATOM 0 HG1 THR A 56 1.723 2.558 4.262 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.000 2.525 3.566 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.289 1.990 1.894 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.369 3.481 2.204 1.00 0.00 H new ATOM 841 N ALA A 57 0.575 -0.586 1.056 1.00 0.00 N ATOM 842 CA ALA A 57 -0.590 -1.504 1.135 1.00 0.00 C ATOM 843 C ALA A 57 -0.135 -2.955 1.178 1.00 0.00 C ATOM 844 O ALA A 57 0.902 -3.295 0.643 1.00 0.00 O ATOM 845 CB ALA A 57 -1.461 -1.296 -0.112 1.00 0.00 C ATOM 0 H ALA A 57 1.463 -1.021 0.806 1.00 0.00 H new ATOM 0 HA ALA A 57 -1.150 -1.286 2.044 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.322 -1.963 -0.070 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.805 -0.262 -0.148 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.876 -1.515 -1.005 1.00 0.00 H new ATOM 851 N THR A 58 -0.926 -3.785 1.820 1.00 0.00 N ATOM 852 CA THR A 58 -0.570 -5.228 1.918 1.00 0.00 C ATOM 853 C THR A 58 -1.617 -6.091 1.224 1.00 0.00 C ATOM 854 O THR A 58 -2.790 -5.773 1.226 1.00 0.00 O ATOM 855 CB THR A 58 -0.499 -5.614 3.410 1.00 0.00 C ATOM 856 OG1 THR A 58 0.432 -6.676 3.475 1.00 0.00 O ATOM 857 CG2 THR A 58 -1.823 -6.233 3.903 1.00 0.00 C ATOM 0 H THR A 58 -1.799 -3.521 2.277 1.00 0.00 H new ATOM 0 HA THR A 58 0.391 -5.394 1.431 1.00 0.00 H new ATOM 0 HB THR A 58 -0.258 -4.730 4.000 1.00 0.00 H new ATOM 0 HG1 THR A 58 0.527 -6.971 4.405 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.733 -6.492 4.958 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.632 -5.514 3.773 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.041 -7.132 3.327 1.00 0.00 H new ATOM 865 N ILE A 59 -1.166 -7.163 0.632 1.00 0.00 N ATOM 866 CA ILE A 59 -2.100 -8.071 -0.072 1.00 0.00 C ATOM 867 C ILE A 59 -1.784 -9.519 0.262 1.00 0.00 C ATOM 868 O ILE A 59 -0.638 -9.928 0.238 1.00 0.00 O ATOM 869 CB ILE A 59 -1.924 -7.854 -1.570 1.00 0.00 C ATOM 870 CG1 ILE A 59 -2.384 -9.088 -2.338 1.00 0.00 C ATOM 871 CG2 ILE A 59 -0.433 -7.628 -1.856 1.00 0.00 C ATOM 872 CD1 ILE A 59 -2.692 -8.696 -3.786 1.00 0.00 C ATOM 0 H ILE A 59 -0.186 -7.446 0.608 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.124 -7.859 0.237 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.516 -6.994 -1.883 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.610 -9.855 -2.313 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.270 -9.514 -1.868 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.287 -7.471 -2.925 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.087 -6.751 -1.310 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.135 -8.502 -1.537 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -3.021 -9.576 -4.339 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -3.480 -7.943 -3.799 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.794 -8.290 -4.252 1.00 0.00 H new ATOM 884 N SER A 60 -2.813 -10.269 0.568 1.00 0.00 N ATOM 885 CA SER A 60 -2.615 -11.701 0.911 1.00 0.00 C ATOM 886 C SER A 60 -3.573 -12.578 0.119 1.00 0.00 C ATOM 887 O SER A 60 -4.524 -12.092 -0.461 1.00 0.00 O ATOM 888 CB SER A 60 -2.903 -11.878 2.407 1.00 0.00 C ATOM 889 OG SER A 60 -1.760 -11.331 3.048 1.00 0.00 O ATOM 0 H SER A 60 -3.780 -9.947 0.594 1.00 0.00 H new ATOM 0 HA SER A 60 -1.593 -11.993 0.670 1.00 0.00 H new ATOM 0 HB2 SER A 60 -3.813 -11.356 2.702 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.040 -12.928 2.665 1.00 0.00 H new ATOM 0 HG SER A 60 -1.864 -11.403 4.020 1.00 0.00 H new ATOM 895 N GLY A 61 -3.311 -13.855 0.106 1.00 0.00 N ATOM 896 CA GLY A 61 -4.205 -14.776 -0.650 1.00 0.00 C ATOM 897 C GLY A 61 -3.796 -14.817 -2.122 1.00 0.00 C ATOM 898 O GLY A 61 -4.622 -14.669 -3.001 1.00 0.00 O ATOM 0 H GLY A 61 -2.525 -14.298 0.581 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.153 -15.777 -0.222 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -5.240 -14.445 -0.561 1.00 0.00 H new ATOM 902 N LEU A 62 -2.520 -15.012 -2.351 1.00 0.00 N ATOM 903 CA LEU A 62 -2.009 -15.069 -3.750 1.00 0.00 C ATOM 904 C LEU A 62 -1.301 -16.401 -4.012 1.00 0.00 C ATOM 905 O LEU A 62 -1.580 -17.388 -3.359 1.00 0.00 O ATOM 906 CB LEU A 62 -1.006 -13.911 -3.936 1.00 0.00 C ATOM 907 CG LEU A 62 0.099 -14.019 -2.879 1.00 0.00 C ATOM 908 CD1 LEU A 62 1.457 -14.091 -3.576 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.065 -12.780 -1.983 1.00 0.00 C ATOM 0 H LEU A 62 -1.812 -15.134 -1.627 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.841 -14.981 -4.449 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.573 -13.948 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.519 -12.953 -3.845 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.057 -14.914 -2.278 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.246 -14.168 -2.828 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.486 -14.966 -4.226 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.608 -13.191 -4.172 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.850 -12.854 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.226 -11.888 -2.589 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.905 -12.714 -1.491 1.00 0.00 H new ATOM 921 N LYS A 63 -0.398 -16.401 -4.968 1.00 0.00 N ATOM 922 CA LYS A 63 0.345 -17.654 -5.296 1.00 0.00 C ATOM 923 C LYS A 63 1.867 -17.365 -5.377 1.00 0.00 C ATOM 924 O LYS A 63 2.338 -16.882 -6.386 1.00 0.00 O ATOM 925 CB LYS A 63 -0.130 -18.128 -6.691 1.00 0.00 C ATOM 926 CG LYS A 63 0.363 -19.567 -6.959 1.00 0.00 C ATOM 927 CD LYS A 63 -0.711 -20.323 -7.757 1.00 0.00 C ATOM 928 CE LYS A 63 -1.915 -20.624 -6.851 1.00 0.00 C ATOM 929 NZ LYS A 63 -3.160 -20.051 -7.436 1.00 0.00 N ATOM 0 H LYS A 63 -0.147 -15.588 -5.531 1.00 0.00 H new ATOM 0 HA LYS A 63 0.160 -18.406 -4.529 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.218 -18.092 -6.745 1.00 0.00 H new ATOM 0 HB3 LYS A 63 0.250 -17.456 -7.461 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.300 -19.546 -7.515 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.562 -20.078 -6.017 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.028 -19.727 -8.613 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.299 -21.252 -8.150 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -2.026 -21.701 -6.728 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -1.746 -20.206 -5.859 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -3.965 -20.262 -6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -3.057 -19.021 -7.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.328 -20.470 -8.373 1.00 0.00 H new ATOM 943 N PRO A 64 2.625 -17.664 -4.308 1.00 0.00 N ATOM 944 CA PRO A 64 4.066 -17.413 -4.319 1.00 0.00 C ATOM 945 C PRO A 64 4.772 -18.242 -5.387 1.00 0.00 C ATOM 946 O PRO A 64 4.391 -19.363 -5.661 1.00 0.00 O ATOM 947 CB PRO A 64 4.558 -17.837 -2.917 1.00 0.00 C ATOM 948 CG PRO A 64 3.307 -18.276 -2.098 1.00 0.00 C ATOM 949 CD PRO A 64 2.109 -18.262 -3.059 1.00 0.00 C ATOM 0 HA PRO A 64 4.281 -16.369 -4.546 1.00 0.00 H new ATOM 0 HB2 PRO A 64 5.274 -18.655 -2.993 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.069 -17.011 -2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.452 -19.271 -1.678 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.137 -17.598 -1.261 1.00 0.00 H new ATOM 0 HD2 PRO A 64 1.730 -19.269 -3.231 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.284 -17.676 -2.653 1.00 0.00 H new ATOM 957 N GLY A 65 5.791 -17.671 -5.971 1.00 0.00 N ATOM 958 CA GLY A 65 6.539 -18.409 -7.026 1.00 0.00 C ATOM 959 C GLY A 65 5.834 -18.279 -8.380 1.00 0.00 C ATOM 960 O GLY A 65 5.599 -19.263 -9.053 1.00 0.00 O ATOM 0 H GLY A 65 6.135 -16.733 -5.765 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.554 -18.019 -7.100 1.00 0.00 H new ATOM 0 HA3 GLY A 65 6.621 -19.461 -6.752 1.00 0.00 H new ATOM 964 N VAL A 66 5.508 -17.066 -8.753 1.00 0.00 N ATOM 965 CA VAL A 66 4.823 -16.869 -10.055 1.00 0.00 C ATOM 966 C VAL A 66 4.981 -15.436 -10.556 1.00 0.00 C ATOM 967 O VAL A 66 5.153 -14.514 -9.778 1.00 0.00 O ATOM 968 CB VAL A 66 3.324 -17.156 -9.859 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.641 -15.909 -9.283 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.695 -17.497 -11.209 1.00 0.00 C ATOM 0 H VAL A 66 5.686 -16.217 -8.216 1.00 0.00 H new ATOM 0 HA VAL A 66 5.267 -17.542 -10.789 1.00 0.00 H new ATOM 0 HB VAL A 66 3.197 -17.994 -9.173 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.579 -16.108 -9.143 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.093 -15.657 -8.324 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.766 -15.074 -9.973 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.633 -17.701 -11.074 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.819 -16.656 -11.891 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.184 -18.378 -11.626 1.00 0.00 H new ATOM 980 N ASP A 67 4.927 -15.276 -11.853 1.00 0.00 N ATOM 981 CA ASP A 67 5.070 -13.918 -12.429 1.00 0.00 C ATOM 982 C ASP A 67 3.953 -13.017 -11.927 1.00 0.00 C ATOM 983 O ASP A 67 2.874 -13.485 -11.622 1.00 0.00 O ATOM 984 CB ASP A 67 4.973 -14.027 -13.958 1.00 0.00 C ATOM 985 CG ASP A 67 6.216 -13.392 -14.589 1.00 0.00 C ATOM 986 OD1 ASP A 67 6.380 -12.201 -14.381 1.00 0.00 O ATOM 987 OD2 ASP A 67 6.931 -14.134 -15.243 1.00 0.00 O ATOM 0 H ASP A 67 4.791 -16.026 -12.530 1.00 0.00 H new ATOM 0 HA ASP A 67 6.030 -13.495 -12.132 1.00 0.00 H new ATOM 0 HB2 ASP A 67 4.893 -15.073 -14.256 1.00 0.00 H new ATOM 0 HB3 ASP A 67 4.073 -13.525 -14.314 1.00 0.00 H new ATOM 992 N TYR A 68 4.222 -11.741 -11.846 1.00 0.00 N ATOM 993 CA TYR A 68 3.175 -10.820 -11.364 1.00 0.00 C ATOM 994 C TYR A 68 3.291 -9.446 -12.013 1.00 0.00 C ATOM 995 O TYR A 68 4.305 -8.785 -11.899 1.00 0.00 O ATOM 996 CB TYR A 68 3.363 -10.660 -9.856 1.00 0.00 C ATOM 997 CG TYR A 68 2.131 -11.195 -9.126 1.00 0.00 C ATOM 998 CD1 TYR A 68 1.002 -10.413 -8.986 1.00 0.00 C ATOM 999 CD2 TYR A 68 2.138 -12.463 -8.584 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.103 -10.894 -8.313 1.00 0.00 C ATOM 1001 CE2 TYR A 68 1.035 -12.944 -7.911 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.094 -12.163 -7.770 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.199 -12.643 -7.094 1.00 0.00 O ATOM 0 H TYR A 68 5.113 -11.309 -12.091 1.00 0.00 H new ATOM 0 HA TYR A 68 2.197 -11.231 -11.616 1.00 0.00 H new ATOM 0 HB2 TYR A 68 4.253 -11.199 -9.531 1.00 0.00 H new ATOM 0 HB3 TYR A 68 3.518 -9.610 -9.608 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.983 -9.418 -9.406 1.00 0.00 H new ATOM 0 HD2 TYR A 68 3.015 -13.085 -8.688 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -0.981 -10.273 -8.211 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.055 -13.939 -7.491 1.00 0.00 H new ATOM 0 HH TYR A 68 -1.607 -13.370 -7.609 1.00 0.00 H new ATOM 1013 N THR A 69 2.240 -9.043 -12.683 1.00 0.00 N ATOM 1014 CA THR A 69 2.247 -7.716 -13.352 1.00 0.00 C ATOM 1015 C THR A 69 1.381 -6.744 -12.568 1.00 0.00 C ATOM 1016 O THR A 69 0.205 -6.987 -12.373 1.00 0.00 O ATOM 1017 CB THR A 69 1.658 -7.879 -14.757 1.00 0.00 C ATOM 1018 OG1 THR A 69 2.253 -9.050 -15.278 1.00 0.00 O ATOM 1019 CG2 THR A 69 2.136 -6.755 -15.689 1.00 0.00 C ATOM 0 H THR A 69 1.379 -9.579 -12.793 1.00 0.00 H new ATOM 0 HA THR A 69 3.266 -7.334 -13.404 1.00 0.00 H new ATOM 0 HB THR A 69 0.570 -7.888 -14.700 1.00 0.00 H new ATOM 0 HG1 THR A 69 1.707 -9.394 -16.016 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.703 -6.895 -16.680 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.821 -5.791 -15.288 1.00 0.00 H new ATOM 0 HG23 THR A 69 3.223 -6.780 -15.761 1.00 0.00 H new ATOM 1027 N ILE A 70 1.978 -5.660 -12.124 1.00 0.00 N ATOM 1028 CA ILE A 70 1.195 -4.659 -11.344 1.00 0.00 C ATOM 1029 C ILE A 70 0.989 -3.376 -12.130 1.00 0.00 C ATOM 1030 O ILE A 70 1.724 -3.078 -13.049 1.00 0.00 O ATOM 1031 CB ILE A 70 1.962 -4.338 -10.054 1.00 0.00 C ATOM 1032 CG1 ILE A 70 3.227 -3.543 -10.365 1.00 0.00 C ATOM 1033 CG2 ILE A 70 2.371 -5.662 -9.389 1.00 0.00 C ATOM 1034 CD1 ILE A 70 3.001 -2.073 -9.989 1.00 0.00 C ATOM 0 H ILE A 70 2.962 -5.431 -12.268 1.00 0.00 H new ATOM 0 HA ILE A 70 0.215 -5.081 -11.123 1.00 0.00 H new ATOM 0 HB ILE A 70 1.323 -3.748 -9.397 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.072 -3.948 -9.808 1.00 0.00 H new ATOM 0 HG13 ILE A 70 3.473 -3.627 -11.424 1.00 0.00 H new ATOM 0 HG21 ILE A 70 2.918 -5.454 -8.469 1.00 0.00 H new ATOM 0 HG22 ILE A 70 1.479 -6.243 -9.157 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.007 -6.229 -10.069 1.00 0.00 H new ATOM 0 HD11 ILE A 70 3.901 -1.499 -10.209 1.00 0.00 H new ATOM 0 HD12 ILE A 70 2.166 -1.674 -10.566 1.00 0.00 H new ATOM 0 HD13 ILE A 70 2.775 -2.000 -8.925 1.00 0.00 H new ATOM 1046 N THR A 71 -0.011 -2.640 -11.744 1.00 0.00 N ATOM 1047 CA THR A 71 -0.302 -1.368 -12.439 1.00 0.00 C ATOM 1048 C THR A 71 -1.001 -0.409 -11.497 1.00 0.00 C ATOM 1049 O THR A 71 -2.042 -0.727 -10.957 1.00 0.00 O ATOM 1050 CB THR A 71 -1.222 -1.665 -13.623 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.454 -2.460 -14.504 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.519 -0.385 -14.418 1.00 0.00 C ATOM 0 H THR A 71 -0.640 -2.868 -10.974 1.00 0.00 H new ATOM 0 HA THR A 71 0.629 -0.915 -12.780 1.00 0.00 H new ATOM 0 HB THR A 71 -2.147 -2.117 -13.267 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.991 -2.689 -15.291 1.00 0.00 H new ATOM 0 HG21 THR A 71 -2.175 -0.621 -15.256 1.00 0.00 H new ATOM 0 HG22 THR A 71 -2.007 0.342 -13.768 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.586 0.034 -14.795 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.420 0.759 -11.319 1.00 0.00 N ATOM 1061 CA VAL A 72 -1.047 1.758 -10.403 1.00 0.00 C ATOM 1062 C VAL A 72 -1.646 2.930 -11.178 1.00 0.00 C ATOM 1063 O VAL A 72 -1.093 3.383 -12.173 1.00 0.00 O ATOM 1064 CB VAL A 72 0.037 2.290 -9.437 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.637 1.115 -8.662 1.00 0.00 C ATOM 1066 CG2 VAL A 72 1.137 2.967 -10.234 1.00 0.00 C ATOM 0 H VAL A 72 0.449 1.056 -11.764 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.852 1.269 -9.855 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.410 3.005 -8.746 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.402 1.483 -7.979 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.147 0.616 -8.093 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.084 0.408 -9.361 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.901 3.342 -9.553 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.584 2.248 -10.921 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.717 3.798 -10.801 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.778 3.383 -10.698 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.477 4.521 -11.348 1.00 0.00 C ATOM 1078 C TYR A 73 -3.450 5.741 -10.427 1.00 0.00 C ATOM 1079 O TYR A 73 -4.163 5.788 -9.442 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.944 4.108 -11.559 1.00 0.00 C ATOM 1081 CG TYR A 73 -5.172 3.586 -12.983 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.466 2.496 -13.455 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -6.126 4.168 -13.798 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.709 1.998 -14.721 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -6.369 3.669 -15.062 1.00 0.00 C ATOM 1086 CZ TYR A 73 -5.663 2.579 -15.534 1.00 0.00 C ATOM 1087 OH TYR A 73 -5.909 2.078 -16.797 1.00 0.00 O ATOM 0 H TYR A 73 -3.248 3.005 -9.875 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.991 4.768 -12.292 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.215 3.337 -10.838 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.596 4.962 -11.373 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.719 2.030 -12.830 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -6.686 5.020 -13.442 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -4.148 1.147 -15.078 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -7.117 4.134 -15.687 1.00 0.00 H new ATOM 0 HH TYR A 73 -6.612 2.608 -17.228 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.632 6.700 -10.755 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.556 7.915 -9.900 1.00 0.00 C ATOM 1099 C ALA A 74 -3.609 8.941 -10.310 1.00 0.00 C ATOM 1100 O ALA A 74 -3.384 9.737 -11.196 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.161 8.537 -10.079 1.00 0.00 C ATOM 0 H ALA A 74 -2.018 6.696 -11.570 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.736 7.634 -8.862 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.079 9.431 -9.461 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.400 7.817 -9.777 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.013 8.804 -11.125 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.743 8.912 -9.649 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.810 9.884 -10.001 1.00 0.00 C ATOM 1109 C VAL A 75 -5.666 11.164 -9.191 1.00 0.00 C ATOM 1110 O VAL A 75 -5.854 11.166 -7.987 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.179 9.245 -9.695 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.298 10.253 -10.015 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.352 8.001 -10.573 1.00 0.00 C ATOM 0 H VAL A 75 -4.968 8.265 -8.893 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.728 10.133 -11.059 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.231 8.968 -8.642 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.267 9.802 -9.799 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.169 11.146 -9.404 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.252 10.525 -11.069 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.318 7.540 -10.365 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.306 8.288 -11.624 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.556 7.289 -10.356 1.00 0.00 H new ATOM 1123 N THR A 76 -5.336 12.230 -9.872 1.00 0.00 N ATOM 1124 CA THR A 76 -5.170 13.529 -9.177 1.00 0.00 C ATOM 1125 C THR A 76 -5.777 14.657 -10.002 1.00 0.00 C ATOM 1126 O THR A 76 -6.059 14.492 -11.172 1.00 0.00 O ATOM 1127 CB THR A 76 -3.672 13.798 -9.003 1.00 0.00 C ATOM 1128 OG1 THR A 76 -3.498 15.165 -9.321 1.00 0.00 O ATOM 1129 CG2 THR A 76 -2.853 13.043 -10.065 1.00 0.00 C ATOM 0 H THR A 76 -5.175 12.252 -10.879 1.00 0.00 H new ATOM 0 HA THR A 76 -5.674 13.486 -8.211 1.00 0.00 H new ATOM 0 HB THR A 76 -3.358 13.505 -8.001 1.00 0.00 H new ATOM 0 HG1 THR A 76 -2.552 15.405 -9.227 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.792 13.250 -9.921 1.00 0.00 H new ATOM 0 HG22 THR A 76 -3.031 11.972 -9.968 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.155 13.372 -11.059 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.483 6.428 -15.896 1.00 0.00 N ATOM 1267 CA PRO A 87 -1.036 5.227 -15.178 1.00 0.00 C ATOM 1268 C PRO A 87 0.230 4.612 -15.739 1.00 0.00 C ATOM 1269 O PRO A 87 0.689 4.964 -16.808 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.196 4.230 -15.318 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.395 4.998 -15.945 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.864 6.359 -16.414 1.00 0.00 C ATOM 0 HA PRO A 87 -0.793 5.485 -14.147 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.906 3.390 -15.949 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.469 3.819 -14.346 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.815 4.439 -16.782 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -4.194 5.127 -15.215 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.882 6.437 -17.501 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -3.473 7.176 -16.026 1.00 0.00 H new ATOM 1280 N ILE A 88 0.770 3.690 -14.983 1.00 0.00 N ATOM 1281 CA ILE A 88 2.011 3.008 -15.413 1.00 0.00 C ATOM 1282 C ILE A 88 2.040 1.599 -14.846 1.00 0.00 C ATOM 1283 O ILE A 88 1.383 1.316 -13.863 1.00 0.00 O ATOM 1284 CB ILE A 88 3.206 3.803 -14.870 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.506 2.993 -15.026 1.00 0.00 C ATOM 1286 CG2 ILE A 88 2.972 4.068 -13.375 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.724 3.884 -14.712 1.00 0.00 C ATOM 0 H ILE A 88 0.397 3.384 -14.084 1.00 0.00 H new ATOM 0 HA ILE A 88 2.055 2.953 -16.501 1.00 0.00 H new ATOM 0 HB ILE A 88 3.299 4.737 -15.425 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.491 2.134 -14.356 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.582 2.604 -16.041 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.812 4.633 -12.970 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.054 4.641 -13.246 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.885 3.119 -12.847 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.639 3.302 -14.825 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.744 4.729 -15.400 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.652 4.251 -13.688 1.00 0.00 H new ATOM 1299 N SER A 89 2.797 0.733 -15.468 1.00 0.00 N ATOM 1300 CA SER A 89 2.864 -0.659 -14.960 1.00 0.00 C ATOM 1301 C SER A 89 4.255 -1.254 -15.139 1.00 0.00 C ATOM 1302 O SER A 89 5.044 -0.778 -15.930 1.00 0.00 O ATOM 1303 CB SER A 89 1.861 -1.511 -15.751 1.00 0.00 C ATOM 1304 OG SER A 89 2.426 -1.592 -17.051 1.00 0.00 O ATOM 0 H SER A 89 3.362 0.930 -16.294 1.00 0.00 H new ATOM 0 HA SER A 89 2.630 -0.651 -13.896 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.739 -2.499 -15.307 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.875 -1.048 -15.773 1.00 0.00 H new ATOM 0 HG SER A 89 1.843 -2.127 -17.628 1.00 0.00 H new ATOM 1310 N ILE A 90 4.525 -2.292 -14.392 1.00 0.00 N ATOM 1311 CA ILE A 90 5.850 -2.949 -14.488 1.00 0.00 C ATOM 1312 C ILE A 90 5.738 -4.430 -14.147 1.00 0.00 C ATOM 1313 O ILE A 90 4.946 -4.819 -13.306 1.00 0.00 O ATOM 1314 CB ILE A 90 6.805 -2.284 -13.489 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.998 -1.526 -12.430 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.686 -1.279 -14.259 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.892 -1.184 -11.222 1.00 0.00 C ATOM 0 H ILE A 90 3.881 -2.710 -13.720 1.00 0.00 H new ATOM 0 HA ILE A 90 6.224 -2.846 -15.507 1.00 0.00 H new ATOM 0 HB ILE A 90 7.419 -3.041 -13.001 1.00 0.00 H new ATOM 0 HG12 ILE A 90 5.590 -0.611 -12.860 1.00 0.00 H new ATOM 0 HG13 ILE A 90 5.152 -2.131 -12.105 1.00 0.00 H new ATOM 0 HG21 ILE A 90 8.374 -0.793 -13.567 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.254 -1.806 -15.026 1.00 0.00 H new ATOM 0 HG23 ILE A 90 7.053 -0.526 -14.729 1.00 0.00 H new ATOM 0 HD11 ILE A 90 6.306 -0.646 -10.477 1.00 0.00 H new ATOM 0 HD12 ILE A 90 7.279 -2.104 -10.784 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.724 -0.560 -11.550 1.00 0.00 H new ATOM 1329 N ASN A 91 6.531 -5.230 -14.805 1.00 0.00 N ATOM 1330 CA ASN A 91 6.485 -6.687 -14.535 1.00 0.00 C ATOM 1331 C ASN A 91 7.490 -7.065 -13.452 1.00 0.00 C ATOM 1332 O ASN A 91 8.559 -6.495 -13.370 1.00 0.00 O ATOM 1333 CB ASN A 91 6.852 -7.428 -15.830 1.00 0.00 C ATOM 1334 CG ASN A 91 7.519 -8.759 -15.478 1.00 0.00 C ATOM 1335 OD1 ASN A 91 8.564 -9.100 -15.997 1.00 0.00 O ATOM 1336 ND2 ASN A 91 6.949 -9.540 -14.602 1.00 0.00 N ATOM 0 H ASN A 91 7.204 -4.936 -15.513 1.00 0.00 H new ATOM 0 HA ASN A 91 5.485 -6.959 -14.196 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.958 -7.603 -16.429 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.525 -6.819 -16.433 1.00 0.00 H new ATOM 0 HD21 ASN A 91 7.380 -10.431 -14.356 1.00 0.00 H new ATOM 0 HD22 ASN A 91 6.072 -9.260 -14.163 1.00 0.00 H new ATOM 1343 N TYR A 92 7.129 -8.021 -12.638 1.00 0.00 N ATOM 1344 CA TYR A 92 8.053 -8.444 -11.556 1.00 0.00 C ATOM 1345 C TYR A 92 7.677 -9.821 -11.031 1.00 0.00 C ATOM 1346 O TYR A 92 6.517 -10.106 -10.807 1.00 0.00 O ATOM 1347 CB TYR A 92 7.940 -7.437 -10.401 1.00 0.00 C ATOM 1348 CG TYR A 92 9.012 -7.745 -9.350 1.00 0.00 C ATOM 1349 CD1 TYR A 92 10.270 -7.190 -9.452 1.00 0.00 C ATOM 1350 CD2 TYR A 92 8.732 -8.575 -8.282 1.00 0.00 C ATOM 1351 CE1 TYR A 92 11.235 -7.461 -8.503 1.00 0.00 C ATOM 1352 CE2 TYR A 92 9.696 -8.846 -7.334 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.955 -8.291 -7.436 1.00 0.00 C ATOM 1354 OH TYR A 92 11.917 -8.556 -6.484 1.00 0.00 O ATOM 0 H TYR A 92 6.241 -8.521 -12.678 1.00 0.00 H new ATOM 0 HA TYR A 92 9.068 -8.482 -11.952 1.00 0.00 H new ATOM 0 HB2 TYR A 92 8.064 -6.421 -10.776 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.948 -7.492 -9.952 1.00 0.00 H new ATOM 0 HD1 TYR A 92 10.502 -6.538 -10.281 1.00 0.00 H new ATOM 0 HD2 TYR A 92 7.750 -9.015 -8.189 1.00 0.00 H new ATOM 0 HE1 TYR A 92 12.217 -7.020 -8.596 1.00 0.00 H new ATOM 0 HE2 TYR A 92 9.464 -9.498 -6.505 1.00 0.00 H new ATOM 0 HH TYR A 92 11.548 -9.158 -5.805 1.00 0.00 H new ATOM 1364 N ARG A 93 8.661 -10.654 -10.843 1.00 0.00 N ATOM 1365 CA ARG A 93 8.370 -12.010 -10.332 1.00 0.00 C ATOM 1366 C ARG A 93 8.382 -12.012 -8.815 1.00 0.00 C ATOM 1367 O ARG A 93 9.288 -11.480 -8.203 1.00 0.00 O ATOM 1368 CB ARG A 93 9.454 -12.976 -10.844 1.00 0.00 C ATOM 1369 CG ARG A 93 10.742 -12.196 -11.113 1.00 0.00 C ATOM 1370 CD ARG A 93 11.894 -13.184 -11.321 1.00 0.00 C ATOM 1371 NE ARG A 93 11.477 -14.214 -12.317 1.00 0.00 N ATOM 1372 CZ ARG A 93 12.326 -15.138 -12.678 1.00 0.00 C ATOM 1373 NH1 ARG A 93 13.286 -14.826 -13.506 1.00 0.00 N ATOM 1374 NH2 ARG A 93 12.190 -16.345 -12.196 1.00 0.00 N ATOM 0 H ARG A 93 9.645 -10.452 -11.021 1.00 0.00 H new ATOM 0 HA ARG A 93 7.386 -12.323 -10.680 1.00 0.00 H new ATOM 0 HB2 ARG A 93 9.637 -13.759 -10.108 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.117 -13.469 -11.756 1.00 0.00 H new ATOM 0 HG2 ARG A 93 10.623 -11.567 -11.995 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.962 -11.533 -10.276 1.00 0.00 H new ATOM 0 HD2 ARG A 93 12.782 -12.658 -11.672 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.158 -13.659 -10.376 1.00 0.00 H new ATOM 0 HE ARG A 93 10.537 -14.196 -12.712 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.364 -13.873 -13.860 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.958 -15.535 -13.798 1.00 0.00 H new ATOM 0 HH21 ARG A 93 11.430 -16.553 -11.549 1.00 0.00 H new ATOM 0 HH22 ARG A 93 12.844 -17.079 -12.467 1.00 0.00 H new ATOM 1388 N THR A 94 7.368 -12.608 -8.232 1.00 0.00 N ATOM 1389 CA THR A 94 7.295 -12.658 -6.743 1.00 0.00 C ATOM 1390 C THR A 94 7.271 -14.097 -6.251 1.00 0.00 C ATOM 1391 O THR A 94 6.338 -14.784 -6.636 1.00 0.00 O ATOM 1392 CB THR A 94 6.001 -11.966 -6.302 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.357 -11.582 -7.498 1.00 0.00 O ATOM 1394 CG2 THR A 94 6.306 -10.640 -5.579 1.00 0.00 C ATOM 1395 OXT THR A 94 8.184 -14.433 -5.517 1.00 0.00 O ATOM 0 H THR A 94 6.595 -13.058 -8.722 1.00 0.00 H new ATOM 0 HA THR A 94 8.170 -12.161 -6.325 1.00 0.00 H new ATOM 0 HB THR A 94 5.430 -12.630 -5.653 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.463 -11.982 -7.531 1.00 0.00 H new ATOM 0 HG21 THR A 94 5.372 -10.168 -5.276 1.00 0.00 H new ATOM 0 HG22 THR A 94 6.915 -10.838 -4.697 1.00 0.00 H new ATOM 0 HG23 THR A 94 6.847 -9.975 -6.252 1.00 0.00 H new