USER MOD reduce.3.24.130724 H: found=0, std=0, add=520, rem=0, adj=25 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 71 THR OG1 : rot -148:sc= -0.949! USER MOD Set 1.2: A 89 SER OG : rot 177:sc= -1.76! USER MOD Set 2.1: A 39 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 69 THR OG1 : rot -170:sc= 0 USER MOD Set 3.1: A 14 THR OG1 : rot 45:sc= 1.56 USER MOD Set 3.2: A 17 SER OG : rot 88:sc= 0.547! USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.507 USER MOD Single : A 21 SER OG : rot 150:sc= -0.983 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot -9:sc= 0.276! USER MOD Single : A 36 TYR OH : rot 180:sc= -0.0237 USER MOD Single : A 46 GLN : amide:sc= -0.923 X(o=-0.92,f=-1.1) 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+ -149:sc= -0.109 (180deg=-0.784) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.477 USER MOD Single : A 60 SER OG : rot 154:sc= 1.01 USER MOD Single : A 63 LYS NZ :NH3+ -162:sc= -0.0816 (180deg=-0.64) USER MOD Single : A 68 TYR OH : rot 165:sc= -0.2 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 91 ASN : amide:sc= -1.74! C(o=-1.7!,f=-2.7!) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 108 N LEU A 8 9.627 2.955 -5.418 1.00 0.00 N ATOM 109 CA LEU A 8 8.981 1.636 -5.749 1.00 0.00 C ATOM 110 C LEU A 8 9.874 0.473 -5.294 1.00 0.00 C ATOM 111 O LEU A 8 10.994 0.356 -5.748 1.00 0.00 O ATOM 112 CB LEU A 8 8.882 1.547 -7.301 1.00 0.00 C ATOM 113 CG LEU A 8 7.517 0.991 -7.766 1.00 0.00 C ATOM 114 CD1 LEU A 8 7.126 -0.257 -6.942 1.00 0.00 C ATOM 115 CD2 LEU A 8 6.464 2.085 -7.621 1.00 0.00 C ATOM 0 HA LEU A 8 8.010 1.573 -5.257 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.035 2.537 -7.731 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.681 0.909 -7.679 1.00 0.00 H new ATOM 0 HG LEU A 8 7.585 0.688 -8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 8 6.162 -0.632 -7.285 1.00 0.00 H new ATOM 0 HD12 LEU A 8 7.883 -1.030 -7.071 1.00 0.00 H new ATOM 0 HD13 LEU A 8 7.056 0.010 -5.888 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.496 1.704 -7.946 1.00 0.00 H new ATOM 0 HD22 LEU A 8 6.400 2.393 -6.577 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.742 2.941 -8.236 1.00 0.00 H new ATOM 127 N GLU A 9 9.374 -0.377 -4.424 1.00 0.00 N ATOM 128 CA GLU A 9 10.228 -1.521 -3.969 1.00 0.00 C ATOM 129 C GLU A 9 9.454 -2.511 -3.095 1.00 0.00 C ATOM 130 O GLU A 9 8.401 -2.201 -2.569 1.00 0.00 O ATOM 131 CB GLU A 9 11.403 -0.971 -3.140 1.00 0.00 C ATOM 132 CG GLU A 9 12.318 -2.138 -2.750 1.00 0.00 C ATOM 133 CD GLU A 9 13.712 -1.604 -2.410 1.00 0.00 C ATOM 134 OE1 GLU A 9 14.394 -1.233 -3.352 1.00 0.00 O ATOM 135 OE2 GLU A 9 14.018 -1.601 -1.228 1.00 0.00 O ATOM 0 H GLU A 9 8.439 -0.331 -4.020 1.00 0.00 H new ATOM 0 HA GLU A 9 10.573 -2.045 -4.860 1.00 0.00 H new ATOM 0 HB2 GLU A 9 11.959 -0.231 -3.716 1.00 0.00 H new ATOM 0 HB3 GLU A 9 11.032 -0.467 -2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 9 11.902 -2.669 -1.894 1.00 0.00 H new ATOM 0 HG3 GLU A 9 12.381 -2.854 -3.570 1.00 0.00 H new ATOM 142 N VAL A 10 10.010 -3.696 -2.966 1.00 0.00 N ATOM 143 CA VAL A 10 9.354 -4.743 -2.136 1.00 0.00 C ATOM 144 C VAL A 10 9.879 -4.657 -0.708 1.00 0.00 C ATOM 145 O VAL A 10 11.045 -4.905 -0.463 1.00 0.00 O ATOM 146 CB VAL A 10 9.721 -6.122 -2.710 1.00 0.00 C ATOM 147 CG1 VAL A 10 9.024 -7.209 -1.885 1.00 0.00 C ATOM 148 CG2 VAL A 10 9.245 -6.211 -4.160 1.00 0.00 C ATOM 0 H VAL A 10 10.889 -3.976 -3.402 1.00 0.00 H new ATOM 0 HA VAL A 10 8.274 -4.599 -2.143 1.00 0.00 H new ATOM 0 HB VAL A 10 10.801 -6.261 -2.670 1.00 0.00 H new ATOM 0 HG11 VAL A 10 9.279 -8.190 -2.286 1.00 0.00 H new ATOM 0 HG12 VAL A 10 9.352 -7.145 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.944 -7.067 -1.934 1.00 0.00 H new ATOM 0 HG21 VAL A 10 9.504 -7.188 -4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.164 -6.077 -4.197 1.00 0.00 H new ATOM 0 HG23 VAL A 10 9.727 -5.431 -4.750 1.00 0.00 H new ATOM 158 N VAL A 11 9.026 -4.312 0.213 1.00 0.00 N ATOM 159 CA VAL A 11 9.493 -4.212 1.622 1.00 0.00 C ATOM 160 C VAL A 11 9.588 -5.580 2.273 1.00 0.00 C ATOM 161 O VAL A 11 10.612 -5.940 2.822 1.00 0.00 O ATOM 162 CB VAL A 11 8.495 -3.346 2.409 1.00 0.00 C ATOM 163 CG1 VAL A 11 9.246 -2.560 3.480 1.00 0.00 C ATOM 164 CG2 VAL A 11 7.821 -2.361 1.455 1.00 0.00 C ATOM 0 H VAL A 11 8.041 -4.098 0.056 1.00 0.00 H new ATOM 0 HA VAL A 11 10.487 -3.764 1.629 1.00 0.00 H new ATOM 0 HB VAL A 11 7.745 -3.985 2.874 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.542 -1.945 4.040 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.742 -3.253 4.159 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.991 -1.920 3.007 1.00 0.00 H new ATOM 0 HG21 VAL A 11 7.113 -1.745 2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 11 8.577 -1.723 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 11 7.292 -2.912 0.677 1.00 0.00 H new ATOM 174 N ALA A 12 8.530 -6.315 2.198 1.00 0.00 N ATOM 175 CA ALA A 12 8.539 -7.669 2.808 1.00 0.00 C ATOM 176 C ALA A 12 7.659 -8.627 2.019 1.00 0.00 C ATOM 177 O ALA A 12 6.781 -8.210 1.303 1.00 0.00 O ATOM 178 CB ALA A 12 7.987 -7.556 4.236 1.00 0.00 C ATOM 0 H ALA A 12 7.658 -6.044 1.743 1.00 0.00 H new ATOM 0 HA ALA A 12 9.559 -8.053 2.807 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.984 -8.540 4.704 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.615 -6.880 4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 12 6.969 -7.167 4.203 1.00 0.00 H new ATOM 184 N ALA A 13 7.913 -9.901 2.169 1.00 0.00 N ATOM 185 CA ALA A 13 7.097 -10.901 1.430 1.00 0.00 C ATOM 186 C ALA A 13 6.917 -12.173 2.256 1.00 0.00 C ATOM 187 O ALA A 13 7.840 -12.948 2.409 1.00 0.00 O ATOM 188 CB ALA A 13 7.834 -11.259 0.127 1.00 0.00 C ATOM 0 H ALA A 13 8.644 -10.287 2.766 1.00 0.00 H new ATOM 0 HA ALA A 13 6.115 -10.476 1.224 1.00 0.00 H new ATOM 0 HB1 ALA A 13 7.252 -11.992 -0.431 1.00 0.00 H new ATOM 0 HB2 ALA A 13 7.961 -10.361 -0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 13 8.812 -11.678 0.365 1.00 0.00 H new ATOM 194 N THR A 14 5.724 -12.361 2.775 1.00 0.00 N ATOM 195 CA THR A 14 5.459 -13.576 3.596 1.00 0.00 C ATOM 196 C THR A 14 4.623 -14.604 2.795 1.00 0.00 C ATOM 197 O THR A 14 3.906 -14.236 1.887 1.00 0.00 O ATOM 198 CB THR A 14 4.658 -13.141 4.832 1.00 0.00 C ATOM 199 OG1 THR A 14 3.844 -12.076 4.390 1.00 0.00 O ATOM 200 CG2 THR A 14 5.574 -12.506 5.894 1.00 0.00 C ATOM 0 H THR A 14 4.932 -11.728 2.664 1.00 0.00 H new ATOM 0 HA THR A 14 6.404 -14.041 3.878 1.00 0.00 H new ATOM 0 HB THR A 14 4.133 -14.001 5.248 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.437 -12.310 3.530 1.00 0.00 H new ATOM 0 HG21 THR A 14 4.978 -12.208 6.757 1.00 0.00 H new ATOM 0 HG22 THR A 14 6.327 -13.230 6.205 1.00 0.00 H new ATOM 0 HG23 THR A 14 6.066 -11.629 5.473 1.00 0.00 H new ATOM 208 N PRO A 15 4.728 -15.892 3.155 1.00 0.00 N ATOM 209 CA PRO A 15 3.975 -16.939 2.456 1.00 0.00 C ATOM 210 C PRO A 15 2.461 -16.714 2.527 1.00 0.00 C ATOM 211 O PRO A 15 1.695 -17.524 2.047 1.00 0.00 O ATOM 212 CB PRO A 15 4.326 -18.247 3.202 1.00 0.00 C ATOM 213 CG PRO A 15 5.271 -17.874 4.384 1.00 0.00 C ATOM 214 CD PRO A 15 5.593 -16.378 4.253 1.00 0.00 C ATOM 0 HA PRO A 15 4.236 -16.954 1.398 1.00 0.00 H new ATOM 0 HB2 PRO A 15 3.422 -18.731 3.572 1.00 0.00 H new ATOM 0 HB3 PRO A 15 4.814 -18.953 2.529 1.00 0.00 H new ATOM 0 HG2 PRO A 15 4.791 -18.082 5.340 1.00 0.00 H new ATOM 0 HG3 PRO A 15 6.184 -18.469 4.349 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.386 -15.847 5.182 1.00 0.00 H new ATOM 0 HD3 PRO A 15 6.647 -16.220 4.024 1.00 0.00 H new ATOM 222 N THR A 16 2.052 -15.623 3.120 1.00 0.00 N ATOM 223 CA THR A 16 0.588 -15.361 3.214 1.00 0.00 C ATOM 224 C THR A 16 0.287 -13.867 3.208 1.00 0.00 C ATOM 225 O THR A 16 -0.738 -13.438 3.698 1.00 0.00 O ATOM 226 CB THR A 16 0.078 -15.952 4.529 1.00 0.00 C ATOM 227 OG1 THR A 16 0.758 -17.180 4.676 1.00 0.00 O ATOM 228 CG2 THR A 16 -1.405 -16.339 4.414 1.00 0.00 C ATOM 0 H THR A 16 2.657 -14.914 3.536 1.00 0.00 H new ATOM 0 HA THR A 16 0.098 -15.815 2.353 1.00 0.00 H new ATOM 0 HB THR A 16 0.224 -15.236 5.338 1.00 0.00 H new ATOM 0 HG1 THR A 16 0.475 -17.613 5.508 1.00 0.00 H new ATOM 0 HG21 THR A 16 -1.746 -16.757 5.361 1.00 0.00 H new ATOM 0 HG22 THR A 16 -1.994 -15.454 4.175 1.00 0.00 H new ATOM 0 HG23 THR A 16 -1.527 -17.081 3.625 1.00 0.00 H new ATOM 236 N SER A 17 1.182 -13.103 2.657 1.00 0.00 N ATOM 237 CA SER A 17 0.959 -11.638 2.614 1.00 0.00 C ATOM 238 C SER A 17 2.169 -10.938 2.019 1.00 0.00 C ATOM 239 O SER A 17 3.286 -11.363 2.221 1.00 0.00 O ATOM 240 CB SER A 17 0.750 -11.138 4.051 1.00 0.00 C ATOM 241 OG SER A 17 1.365 -12.132 4.857 1.00 0.00 O ATOM 0 H SER A 17 2.053 -13.427 2.237 1.00 0.00 H new ATOM 0 HA SER A 17 0.087 -11.421 1.997 1.00 0.00 H new ATOM 0 HB2 SER A 17 1.209 -10.161 4.204 1.00 0.00 H new ATOM 0 HB3 SER A 17 -0.309 -11.033 4.286 1.00 0.00 H new ATOM 0 HG SER A 17 2.314 -11.918 4.973 1.00 0.00 H new ATOM 247 N LEU A 18 1.923 -9.876 1.288 1.00 0.00 N ATOM 248 CA LEU A 18 3.054 -9.133 0.668 1.00 0.00 C ATOM 249 C LEU A 18 2.954 -7.636 0.944 1.00 0.00 C ATOM 250 O LEU A 18 1.955 -7.006 0.652 1.00 0.00 O ATOM 251 CB LEU A 18 3.005 -9.365 -0.860 1.00 0.00 C ATOM 252 CG LEU A 18 4.380 -9.838 -1.360 1.00 0.00 C ATOM 253 CD1 LEU A 18 4.262 -10.288 -2.818 1.00 0.00 C ATOM 254 CD2 LEU A 18 5.372 -8.674 -1.276 1.00 0.00 C ATOM 0 H LEU A 18 0.995 -9.498 1.098 1.00 0.00 H new ATOM 0 HA LEU A 18 3.989 -9.495 1.094 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.245 -10.109 -1.100 1.00 0.00 H new ATOM 0 HB3 LEU A 18 2.721 -8.443 -1.368 1.00 0.00 H new ATOM 0 HG LEU A 18 4.727 -10.668 -0.745 1.00 0.00 H new ATOM 0 HD11 LEU A 18 5.236 -10.624 -3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.547 -11.108 -2.889 1.00 0.00 H new ATOM 0 HD13 LEU A 18 3.919 -9.453 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 18 6.349 -9.003 -1.629 1.00 0.00 H new ATOM 0 HD22 LEU A 18 5.020 -7.850 -1.897 1.00 0.00 H new ATOM 0 HD23 LEU A 18 5.454 -8.339 -0.242 1.00 0.00 H new ATOM 266 N LEU A 19 4.002 -7.101 1.509 1.00 0.00 N ATOM 267 CA LEU A 19 4.021 -5.653 1.823 1.00 0.00 C ATOM 268 C LEU A 19 4.716 -4.891 0.693 1.00 0.00 C ATOM 269 O LEU A 19 5.931 -4.890 0.601 1.00 0.00 O ATOM 270 CB LEU A 19 4.811 -5.468 3.135 1.00 0.00 C ATOM 271 CG LEU A 19 4.226 -4.291 3.928 1.00 0.00 C ATOM 272 CD1 LEU A 19 4.993 -4.137 5.248 1.00 0.00 C ATOM 273 CD2 LEU A 19 4.365 -3.003 3.110 1.00 0.00 C ATOM 0 H LEU A 19 4.847 -7.611 1.766 1.00 0.00 H new ATOM 0 HA LEU A 19 3.006 -5.271 1.929 1.00 0.00 H new ATOM 0 HB2 LEU A 19 4.764 -6.380 3.731 1.00 0.00 H new ATOM 0 HB3 LEU A 19 5.863 -5.284 2.915 1.00 0.00 H new ATOM 0 HG LEU A 19 3.173 -4.480 4.134 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.580 -3.302 5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.899 -5.052 5.832 1.00 0.00 H new ATOM 0 HD13 LEU A 19 6.045 -3.947 5.037 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.949 -2.168 3.673 1.00 0.00 H new ATOM 0 HD22 LEU A 19 5.419 -2.814 2.905 1.00 0.00 H new ATOM 0 HD23 LEU A 19 3.826 -3.110 2.169 1.00 0.00 H new ATOM 285 N ILE A 20 3.927 -4.258 -0.149 1.00 0.00 N ATOM 286 CA ILE A 20 4.522 -3.490 -1.285 1.00 0.00 C ATOM 287 C ILE A 20 4.375 -1.983 -1.109 1.00 0.00 C ATOM 288 O ILE A 20 3.377 -1.498 -0.607 1.00 0.00 O ATOM 289 CB ILE A 20 3.790 -3.900 -2.571 1.00 0.00 C ATOM 290 CG1 ILE A 20 2.336 -3.445 -2.517 1.00 0.00 C ATOM 291 CG2 ILE A 20 3.820 -5.435 -2.679 1.00 0.00 C ATOM 292 CD1 ILE A 20 2.162 -2.186 -3.385 1.00 0.00 C ATOM 0 H ILE A 20 2.908 -4.242 -0.097 1.00 0.00 H new ATOM 0 HA ILE A 20 5.587 -3.718 -1.327 1.00 0.00 H new ATOM 0 HB ILE A 20 4.279 -3.438 -3.429 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.681 -4.240 -2.874 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.048 -3.233 -1.487 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.304 -5.746 -3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.854 -5.777 -2.714 1.00 0.00 H new ATOM 0 HG23 ILE A 20 3.323 -5.871 -1.812 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.123 -1.859 -3.348 1.00 0.00 H new ATOM 0 HD12 ILE A 20 2.806 -1.392 -3.007 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.434 -2.414 -4.416 1.00 0.00 H new ATOM 304 N SER A 21 5.390 -1.276 -1.537 1.00 0.00 N ATOM 305 CA SER A 21 5.380 0.209 -1.431 1.00 0.00 C ATOM 306 C SER A 21 5.544 0.794 -2.822 1.00 0.00 C ATOM 307 O SER A 21 6.329 0.281 -3.597 1.00 0.00 O ATOM 308 CB SER A 21 6.578 0.637 -0.569 1.00 0.00 C ATOM 309 OG SER A 21 7.465 -0.467 -0.643 1.00 0.00 O ATOM 0 H SER A 21 6.231 -1.670 -1.958 1.00 0.00 H new ATOM 0 HA SER A 21 4.448 0.557 -0.986 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.040 1.547 -0.952 1.00 0.00 H new ATOM 0 HB3 SER A 21 6.278 0.840 0.459 1.00 0.00 H new ATOM 0 HG SER A 21 8.389 -0.150 -0.561 1.00 0.00 H new ATOM 315 N TRP A 22 4.809 1.856 -3.134 1.00 0.00 N ATOM 316 CA TRP A 22 4.962 2.445 -4.510 1.00 0.00 C ATOM 317 C TRP A 22 5.436 3.873 -4.508 1.00 0.00 C ATOM 318 O TRP A 22 5.641 4.473 -3.481 1.00 0.00 O ATOM 319 CB TRP A 22 3.629 2.403 -5.248 1.00 0.00 C ATOM 320 CG TRP A 22 2.603 3.265 -4.512 1.00 0.00 C ATOM 321 CD1 TRP A 22 2.430 4.556 -4.743 1.00 0.00 C ATOM 322 CD2 TRP A 22 1.743 2.821 -3.631 1.00 0.00 C ATOM 323 NE1 TRP A 22 1.389 4.879 -3.957 1.00 0.00 N ATOM 324 CE2 TRP A 22 0.894 3.827 -3.211 1.00 0.00 C ATOM 325 CE3 TRP A 22 1.611 1.553 -3.108 1.00 0.00 C ATOM 326 CZ2 TRP A 22 -0.084 3.563 -2.276 1.00 0.00 C ATOM 327 CZ3 TRP A 22 0.632 1.289 -2.172 1.00 0.00 C ATOM 328 CH2 TRP A 22 -0.216 2.295 -1.757 1.00 0.00 C ATOM 0 H TRP A 22 4.139 2.319 -2.520 1.00 0.00 H new ATOM 0 HA TRP A 22 5.720 1.838 -5.005 1.00 0.00 H new ATOM 0 HB2 TRP A 22 3.756 2.764 -6.268 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.273 1.375 -5.316 1.00 0.00 H new ATOM 0 HD1 TRP A 22 2.992 5.198 -5.406 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.998 5.820 -3.915 1.00 0.00 H new ATOM 0 HE3 TRP A 22 2.275 0.765 -3.431 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -0.747 4.351 -1.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 0.530 0.294 -1.764 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -0.983 2.088 -1.025 1.00 0.00 H new ATOM 415 N VAL A 29 -2.295 14.277 -5.314 1.00 0.00 N ATOM 416 CA VAL A 29 -3.149 13.229 -5.921 1.00 0.00 C ATOM 417 C VAL A 29 -4.432 13.044 -5.121 1.00 0.00 C ATOM 418 O VAL A 29 -4.421 13.084 -3.907 1.00 0.00 O ATOM 419 CB VAL A 29 -2.357 11.916 -5.925 1.00 0.00 C ATOM 420 CG1 VAL A 29 -3.208 10.810 -6.543 1.00 0.00 C ATOM 421 CG2 VAL A 29 -1.092 12.106 -6.764 1.00 0.00 C ATOM 0 HA VAL A 29 -3.421 13.523 -6.935 1.00 0.00 H new ATOM 0 HB VAL A 29 -2.092 11.641 -4.904 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -2.645 9.877 -6.546 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.119 10.682 -5.959 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.468 11.080 -7.566 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.520 11.178 -6.775 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.369 12.373 -7.784 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.485 12.902 -6.332 1.00 0.00 H new ATOM 431 N ARG A 30 -5.518 12.843 -5.818 1.00 0.00 N ATOM 432 CA ARG A 30 -6.810 12.656 -5.112 1.00 0.00 C ATOM 433 C ARG A 30 -7.022 11.200 -4.707 1.00 0.00 C ATOM 434 O ARG A 30 -7.457 10.928 -3.605 1.00 0.00 O ATOM 435 CB ARG A 30 -7.945 13.077 -6.057 1.00 0.00 C ATOM 436 CG ARG A 30 -7.739 14.535 -6.470 1.00 0.00 C ATOM 437 CD ARG A 30 -8.953 15.356 -6.027 1.00 0.00 C ATOM 438 NE ARG A 30 -9.122 15.215 -4.552 1.00 0.00 N ATOM 439 CZ ARG A 30 -9.572 16.226 -3.857 1.00 0.00 C ATOM 440 NH1 ARG A 30 -10.832 16.554 -3.963 1.00 0.00 N ATOM 441 NH2 ARG A 30 -8.749 16.874 -3.079 1.00 0.00 N ATOM 0 H ARG A 30 -5.563 12.801 -6.836 1.00 0.00 H new ATOM 0 HA ARG A 30 -6.802 13.263 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -7.958 12.435 -6.938 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -8.909 12.959 -5.562 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -6.831 14.930 -6.015 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -7.611 14.606 -7.550 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -8.815 16.404 -6.292 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -9.849 15.012 -6.543 1.00 0.00 H new ATOM 0 HE ARG A 30 -8.888 14.337 -4.089 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -11.447 16.024 -4.581 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -11.201 17.340 -3.428 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -7.771 16.589 -3.020 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -9.083 17.666 -2.529 1.00 0.00 H new ATOM 455 N TYR A 31 -6.715 10.286 -5.601 1.00 0.00 N ATOM 456 CA TYR A 31 -6.906 8.845 -5.253 1.00 0.00 C ATOM 457 C TYR A 31 -5.816 7.960 -5.838 1.00 0.00 C ATOM 458 O TYR A 31 -4.961 8.402 -6.591 1.00 0.00 O ATOM 459 CB TYR A 31 -8.247 8.366 -5.825 1.00 0.00 C ATOM 460 CG TYR A 31 -9.389 8.760 -4.886 1.00 0.00 C ATOM 461 CD1 TYR A 31 -9.942 10.021 -4.943 1.00 0.00 C ATOM 462 CD2 TYR A 31 -9.894 7.848 -3.980 1.00 0.00 C ATOM 463 CE1 TYR A 31 -10.985 10.368 -4.107 1.00 0.00 C ATOM 464 CE2 TYR A 31 -10.936 8.194 -3.146 1.00 0.00 C ATOM 465 CZ TYR A 31 -11.490 9.457 -3.203 1.00 0.00 C ATOM 466 OH TYR A 31 -12.536 9.802 -2.369 1.00 0.00 O ATOM 0 H TYR A 31 -6.349 10.472 -6.535 1.00 0.00 H new ATOM 0 HA TYR A 31 -6.874 8.768 -4.166 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.408 8.804 -6.810 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -8.230 7.284 -5.956 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -9.557 10.744 -5.647 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -9.470 6.856 -3.924 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -11.408 11.360 -4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -11.322 7.471 -2.443 1.00 0.00 H new ATOM 0 HH TYR A 31 -12.765 9.039 -1.798 1.00 0.00 H new ATOM 476 N TYR A 32 -5.903 6.709 -5.491 1.00 0.00 N ATOM 477 CA TYR A 32 -4.916 5.711 -5.976 1.00 0.00 C ATOM 478 C TYR A 32 -5.613 4.381 -6.226 1.00 0.00 C ATOM 479 O TYR A 32 -6.430 3.968 -5.432 1.00 0.00 O ATOM 480 CB TYR A 32 -3.866 5.486 -4.868 1.00 0.00 C ATOM 481 CG TYR A 32 -2.566 6.216 -5.209 1.00 0.00 C ATOM 482 CD1 TYR A 32 -2.457 7.572 -5.010 1.00 0.00 C ATOM 483 CD2 TYR A 32 -1.471 5.519 -5.693 1.00 0.00 C ATOM 484 CE1 TYR A 32 -1.277 8.227 -5.284 1.00 0.00 C ATOM 485 CE2 TYR A 32 -0.289 6.178 -5.966 1.00 0.00 C ATOM 486 CZ TYR A 32 -0.190 7.542 -5.763 1.00 0.00 C ATOM 487 OH TYR A 32 0.972 8.212 -6.043 1.00 0.00 O ATOM 0 H TYR A 32 -6.628 6.331 -4.882 1.00 0.00 H new ATOM 0 HA TYR A 32 -4.455 6.074 -6.895 1.00 0.00 H new ATOM 0 HB2 TYR A 32 -4.252 5.845 -3.914 1.00 0.00 H new ATOM 0 HB3 TYR A 32 -3.672 4.420 -4.753 1.00 0.00 H new ATOM 0 HD1 TYR A 32 -3.304 8.128 -4.636 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -1.542 4.454 -5.858 1.00 0.00 H new ATOM 0 HE1 TYR A 32 -1.207 9.292 -5.120 1.00 0.00 H new ATOM 0 HE2 TYR A 32 0.561 5.626 -6.339 1.00 0.00 H new ATOM 0 HH TYR A 32 1.643 7.579 -6.372 1.00 0.00 H new ATOM 497 N ARG A 33 -5.286 3.732 -7.322 1.00 0.00 N ATOM 498 CA ARG A 33 -5.941 2.413 -7.616 1.00 0.00 C ATOM 499 C ARG A 33 -4.892 1.368 -7.931 1.00 0.00 C ATOM 500 O ARG A 33 -4.253 1.412 -8.963 1.00 0.00 O ATOM 501 CB ARG A 33 -6.889 2.564 -8.820 1.00 0.00 C ATOM 502 CG ARG A 33 -7.465 3.984 -8.836 1.00 0.00 C ATOM 503 CD ARG A 33 -8.758 3.996 -9.661 1.00 0.00 C ATOM 504 NE ARG A 33 -8.614 3.059 -10.810 1.00 0.00 N ATOM 505 CZ ARG A 33 -9.651 2.799 -11.560 1.00 0.00 C ATOM 506 NH1 ARG A 33 -9.971 3.638 -12.509 1.00 0.00 N ATOM 507 NH2 ARG A 33 -10.336 1.710 -11.337 1.00 0.00 N ATOM 0 H ARG A 33 -4.607 4.050 -8.014 1.00 0.00 H new ATOM 0 HA ARG A 33 -6.507 2.097 -6.740 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -6.352 2.367 -9.748 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -7.695 1.833 -8.757 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -7.666 4.319 -7.818 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.741 4.678 -9.263 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -9.603 3.701 -9.039 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -8.964 5.004 -10.022 1.00 0.00 H new ATOM 0 HE ARG A 33 -7.713 2.624 -11.009 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -9.414 4.480 -12.654 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -10.778 3.451 -13.104 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -10.058 1.078 -10.586 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -11.149 1.492 -11.913 1.00 0.00 H new ATOM 521 N ILE A 34 -4.741 0.435 -7.025 1.00 0.00 N ATOM 522 CA ILE A 34 -3.737 -0.636 -7.234 1.00 0.00 C ATOM 523 C ILE A 34 -4.383 -1.931 -7.698 1.00 0.00 C ATOM 524 O ILE A 34 -5.111 -2.563 -6.960 1.00 0.00 O ATOM 525 CB ILE A 34 -3.031 -0.891 -5.902 1.00 0.00 C ATOM 526 CG1 ILE A 34 -2.527 0.430 -5.331 1.00 0.00 C ATOM 527 CG2 ILE A 34 -1.817 -1.807 -6.156 1.00 0.00 C ATOM 528 CD1 ILE A 34 -3.533 0.970 -4.305 1.00 0.00 C ATOM 0 H ILE A 34 -5.270 0.374 -6.155 1.00 0.00 H new ATOM 0 HA ILE A 34 -3.038 -0.312 -8.005 1.00 0.00 H new ATOM 0 HB ILE A 34 -3.725 -1.356 -5.202 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -1.555 0.286 -4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -2.388 1.154 -6.134 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -1.302 -1.998 -5.214 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -2.156 -2.751 -6.582 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -1.133 -1.320 -6.851 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.168 1.914 -3.900 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -4.496 1.131 -4.790 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -3.650 0.249 -3.496 1.00 0.00 H new ATOM 540 N THR A 35 -4.093 -2.301 -8.919 1.00 0.00 N ATOM 541 CA THR A 35 -4.671 -3.553 -9.477 1.00 0.00 C ATOM 542 C THR A 35 -3.565 -4.560 -9.717 1.00 0.00 C ATOM 543 O THR A 35 -2.524 -4.209 -10.240 1.00 0.00 O ATOM 544 CB THR A 35 -5.330 -3.235 -10.825 1.00 0.00 C ATOM 545 OG1 THR A 35 -4.269 -3.197 -11.757 1.00 0.00 O ATOM 546 CG2 THR A 35 -5.909 -1.809 -10.845 1.00 0.00 C ATOM 0 H THR A 35 -3.480 -1.787 -9.552 1.00 0.00 H new ATOM 0 HA THR A 35 -5.400 -3.960 -8.776 1.00 0.00 H new ATOM 0 HB THR A 35 -6.116 -3.963 -11.026 1.00 0.00 H new ATOM 0 HG1 THR A 35 -3.413 -3.235 -11.280 1.00 0.00 H new ATOM 0 HG21 THR A 35 -6.368 -1.616 -11.814 1.00 0.00 H new ATOM 0 HG22 THR A 35 -6.660 -1.710 -10.061 1.00 0.00 H new ATOM 0 HG23 THR A 35 -5.109 -1.089 -10.673 1.00 0.00 H new ATOM 554 N TYR A 36 -3.791 -5.793 -9.328 1.00 0.00 N ATOM 555 CA TYR A 36 -2.738 -6.807 -9.543 1.00 0.00 C ATOM 556 C TYR A 36 -3.336 -8.126 -9.984 1.00 0.00 C ATOM 557 O TYR A 36 -4.493 -8.412 -9.718 1.00 0.00 O ATOM 558 CB TYR A 36 -1.962 -7.005 -8.227 1.00 0.00 C ATOM 559 CG TYR A 36 -2.883 -7.593 -7.152 1.00 0.00 C ATOM 560 CD1 TYR A 36 -3.915 -6.843 -6.616 1.00 0.00 C ATOM 561 CD2 TYR A 36 -2.682 -8.876 -6.687 1.00 0.00 C ATOM 562 CE1 TYR A 36 -4.726 -7.371 -5.633 1.00 0.00 C ATOM 563 CE2 TYR A 36 -3.492 -9.402 -5.703 1.00 0.00 C ATOM 564 CZ TYR A 36 -4.522 -8.654 -5.170 1.00 0.00 C ATOM 565 OH TYR A 36 -5.334 -9.180 -4.186 1.00 0.00 O ATOM 0 H TYR A 36 -4.645 -6.126 -8.881 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.068 -6.459 -10.329 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.114 -7.670 -8.393 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.558 -6.051 -7.888 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.087 -5.837 -6.970 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.882 -9.474 -7.098 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -5.527 -6.775 -5.222 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.319 -10.407 -5.347 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.049 -10.095 -3.981 1.00 0.00 H new ATOM 575 N GLY A 37 -2.538 -8.895 -10.681 1.00 0.00 N ATOM 576 CA GLY A 37 -3.019 -10.219 -11.166 1.00 0.00 C ATOM 577 C GLY A 37 -2.010 -10.813 -12.154 1.00 0.00 C ATOM 578 O GLY A 37 -1.168 -10.112 -12.680 1.00 0.00 O ATOM 0 H GLY A 37 -1.578 -8.662 -10.933 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -3.157 -10.896 -10.323 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -3.990 -10.108 -11.648 1.00 0.00 H new ATOM 582 N GLU A 38 -2.112 -12.093 -12.384 1.00 0.00 N ATOM 583 CA GLU A 38 -1.166 -12.739 -13.332 1.00 0.00 C ATOM 584 C GLU A 38 -1.207 -12.041 -14.689 1.00 0.00 C ATOM 585 O GLU A 38 -2.209 -11.466 -15.064 1.00 0.00 O ATOM 586 CB GLU A 38 -1.590 -14.208 -13.512 1.00 0.00 C ATOM 587 CG GLU A 38 -0.342 -15.084 -13.662 1.00 0.00 C ATOM 588 CD GLU A 38 0.422 -14.674 -14.920 1.00 0.00 C ATOM 589 OE1 GLU A 38 -0.148 -14.858 -15.981 1.00 0.00 O ATOM 590 OE2 GLU A 38 1.533 -14.201 -14.751 1.00 0.00 O ATOM 0 H GLU A 38 -2.803 -12.713 -11.961 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.153 -12.672 -12.935 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.177 -14.536 -12.654 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -2.226 -14.309 -14.391 1.00 0.00 H new ATOM 0 HG2 GLU A 38 0.297 -14.978 -12.785 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -0.627 -16.134 -13.723 1.00 0.00 H new ATOM 597 N THR A 39 -0.113 -12.105 -15.404 1.00 0.00 N ATOM 598 CA THR A 39 -0.075 -11.449 -16.736 1.00 0.00 C ATOM 599 C THR A 39 -0.855 -12.257 -17.774 1.00 0.00 C ATOM 600 O THR A 39 -0.868 -13.469 -17.740 1.00 0.00 O ATOM 601 CB THR A 39 1.398 -11.332 -17.177 1.00 0.00 C ATOM 602 OG1 THR A 39 1.450 -10.180 -17.992 1.00 0.00 O ATOM 603 CG2 THR A 39 1.807 -12.483 -18.117 1.00 0.00 C ATOM 0 H THR A 39 0.745 -12.579 -15.123 1.00 0.00 H new ATOM 0 HA THR A 39 -0.537 -10.465 -16.661 1.00 0.00 H new ATOM 0 HB THR A 39 2.038 -11.325 -16.294 1.00 0.00 H new ATOM 0 HG1 THR A 39 2.368 -10.044 -18.308 1.00 0.00 H new ATOM 0 HG21 THR A 39 2.852 -12.364 -18.405 1.00 0.00 H new ATOM 0 HG22 THR A 39 1.679 -13.436 -17.603 1.00 0.00 H new ATOM 0 HG23 THR A 39 1.181 -12.465 -19.009 1.00 0.00 H new ATOM 664 N VAL A 45 -6.551 -11.291 -10.427 1.00 0.00 N ATOM 665 CA VAL A 45 -6.952 -11.297 -9.000 1.00 0.00 C ATOM 666 C VAL A 45 -7.999 -10.246 -8.710 1.00 0.00 C ATOM 667 O VAL A 45 -9.180 -10.536 -8.702 1.00 0.00 O ATOM 668 CB VAL A 45 -5.723 -11.009 -8.131 1.00 0.00 C ATOM 669 CG1 VAL A 45 -6.141 -10.991 -6.666 1.00 0.00 C ATOM 670 CG2 VAL A 45 -4.683 -12.099 -8.344 1.00 0.00 C ATOM 0 HA VAL A 45 -7.372 -12.277 -8.775 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.298 -10.044 -8.406 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -5.271 -10.787 -6.042 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.890 -10.214 -6.511 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.562 -11.959 -6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -3.809 -11.894 -7.726 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.106 -13.064 -8.066 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.388 -12.121 -9.393 1.00 0.00 H new ATOM 680 N GLN A 46 -7.566 -9.040 -8.475 1.00 0.00 N ATOM 681 CA GLN A 46 -8.561 -7.970 -8.180 1.00 0.00 C ATOM 682 C GLN A 46 -7.909 -6.596 -8.124 1.00 0.00 C ATOM 683 O GLN A 46 -6.839 -6.386 -8.658 1.00 0.00 O ATOM 684 CB GLN A 46 -9.194 -8.262 -6.804 1.00 0.00 C ATOM 685 CG GLN A 46 -10.699 -7.999 -6.872 1.00 0.00 C ATOM 686 CD GLN A 46 -11.380 -9.142 -7.626 1.00 0.00 C ATOM 687 OE1 GLN A 46 -11.639 -9.050 -8.809 1.00 0.00 O ATOM 688 NE2 GLN A 46 -11.685 -10.236 -6.982 1.00 0.00 N ATOM 0 H GLN A 46 -6.588 -8.751 -8.474 1.00 0.00 H new ATOM 0 HA GLN A 46 -9.307 -7.965 -8.975 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -9.007 -9.297 -6.517 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -8.738 -7.632 -6.040 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -11.111 -7.916 -5.866 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -10.892 -7.051 -7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -11.470 -10.320 -5.988 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -12.138 -11.007 -7.472 1.00 0.00 H new ATOM 697 N GLU A 47 -8.577 -5.682 -7.471 1.00 0.00 N ATOM 698 CA GLU A 47 -8.028 -4.312 -7.359 1.00 0.00 C ATOM 699 C GLU A 47 -8.768 -3.517 -6.284 1.00 0.00 C ATOM 700 O GLU A 47 -9.898 -3.821 -5.954 1.00 0.00 O ATOM 701 CB GLU A 47 -8.228 -3.609 -8.706 1.00 0.00 C ATOM 702 CG GLU A 47 -9.726 -3.528 -9.012 1.00 0.00 C ATOM 703 CD GLU A 47 -9.925 -3.317 -10.514 1.00 0.00 C ATOM 704 OE1 GLU A 47 -9.626 -2.218 -10.950 1.00 0.00 O ATOM 705 OE2 GLU A 47 -10.364 -4.268 -11.142 1.00 0.00 O ATOM 0 H GLU A 47 -9.476 -5.831 -7.014 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.973 -4.369 -7.090 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.796 -2.609 -8.676 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.712 -4.155 -9.495 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -10.224 -4.443 -8.693 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.179 -2.708 -8.455 1.00 0.00 H new ATOM 712 N PHE A 48 -8.120 -2.510 -5.757 1.00 0.00 N ATOM 713 CA PHE A 48 -8.777 -1.692 -4.706 1.00 0.00 C ATOM 714 C PHE A 48 -8.330 -0.240 -4.801 1.00 0.00 C ATOM 715 O PHE A 48 -7.258 0.044 -5.302 1.00 0.00 O ATOM 716 CB PHE A 48 -8.381 -2.251 -3.328 1.00 0.00 C ATOM 717 CG PHE A 48 -6.880 -2.541 -3.304 1.00 0.00 C ATOM 718 CD1 PHE A 48 -6.366 -3.643 -3.965 1.00 0.00 C ATOM 719 CD2 PHE A 48 -6.015 -1.706 -2.617 1.00 0.00 C ATOM 720 CE1 PHE A 48 -5.009 -3.904 -3.937 1.00 0.00 C ATOM 721 CE2 PHE A 48 -4.660 -1.973 -2.592 1.00 0.00 C ATOM 722 CZ PHE A 48 -4.161 -3.069 -3.251 1.00 0.00 C ATOM 0 H PHE A 48 -7.174 -2.224 -6.009 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.858 -1.735 -4.842 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -8.636 -1.535 -2.547 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -8.941 -3.163 -3.119 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -7.029 -4.302 -4.506 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -6.402 -0.841 -2.098 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -4.615 -4.766 -4.455 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -3.992 -1.318 -2.053 1.00 0.00 H new ATOM 0 HZ PHE A 48 -3.101 -3.275 -3.230 1.00 0.00 H new ATOM 732 N THR A 49 -9.165 0.657 -4.318 1.00 0.00 N ATOM 733 CA THR A 49 -8.810 2.103 -4.371 1.00 0.00 C ATOM 734 C THR A 49 -8.649 2.695 -2.979 1.00 0.00 C ATOM 735 O THR A 49 -9.198 2.199 -2.016 1.00 0.00 O ATOM 736 CB THR A 49 -9.935 2.852 -5.089 1.00 0.00 C ATOM 737 OG1 THR A 49 -11.108 2.560 -4.357 1.00 0.00 O ATOM 738 CG2 THR A 49 -10.187 2.259 -6.483 1.00 0.00 C ATOM 0 H THR A 49 -10.068 0.445 -3.894 1.00 0.00 H new ATOM 0 HA THR A 49 -7.861 2.204 -4.898 1.00 0.00 H new ATOM 0 HB THR A 49 -9.682 3.909 -5.167 1.00 0.00 H new ATOM 0 HG1 THR A 49 -11.872 3.015 -4.768 1.00 0.00 H new ATOM 0 HG21 THR A 49 -10.991 2.809 -6.972 1.00 0.00 H new ATOM 0 HG22 THR A 49 -9.279 2.336 -7.081 1.00 0.00 H new ATOM 0 HG23 THR A 49 -10.471 1.211 -6.387 1.00 0.00 H new ATOM 746 N VAL A 50 -7.892 3.757 -2.908 1.00 0.00 N ATOM 747 CA VAL A 50 -7.665 4.418 -1.604 1.00 0.00 C ATOM 748 C VAL A 50 -7.465 5.943 -1.819 1.00 0.00 C ATOM 749 O VAL A 50 -7.004 6.353 -2.866 1.00 0.00 O ATOM 750 CB VAL A 50 -6.376 3.823 -0.985 1.00 0.00 C ATOM 751 CG1 VAL A 50 -6.555 2.314 -0.797 1.00 0.00 C ATOM 752 CG2 VAL A 50 -5.193 4.077 -1.927 1.00 0.00 C ATOM 0 H VAL A 50 -7.423 4.191 -3.703 1.00 0.00 H new ATOM 0 HA VAL A 50 -8.520 4.258 -0.947 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.184 4.294 -0.021 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -5.649 1.892 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -7.398 2.128 -0.132 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.745 1.847 -1.763 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -4.285 3.659 -1.492 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -5.386 3.603 -2.889 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.066 5.150 -2.070 1.00 0.00 H new ATOM 762 N PRO A 51 -7.821 6.769 -0.823 1.00 0.00 N ATOM 763 CA PRO A 51 -7.660 8.227 -0.951 1.00 0.00 C ATOM 764 C PRO A 51 -6.190 8.646 -1.134 1.00 0.00 C ATOM 765 O PRO A 51 -5.842 9.788 -0.901 1.00 0.00 O ATOM 766 CB PRO A 51 -8.184 8.801 0.383 1.00 0.00 C ATOM 767 CG PRO A 51 -8.555 7.596 1.296 1.00 0.00 C ATOM 768 CD PRO A 51 -8.421 6.323 0.450 1.00 0.00 C ATOM 0 HA PRO A 51 -8.194 8.592 -1.828 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -7.425 9.422 0.858 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -9.054 9.435 0.212 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -7.895 7.553 2.162 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -9.572 7.700 1.675 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -7.791 5.585 0.946 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -9.391 5.855 0.286 1.00 0.00 H new ATOM 776 N GLY A 52 -5.358 7.726 -1.549 1.00 0.00 N ATOM 777 CA GLY A 52 -3.921 8.075 -1.744 1.00 0.00 C ATOM 778 C GLY A 52 -3.302 8.551 -0.427 1.00 0.00 C ATOM 779 O GLY A 52 -2.330 9.279 -0.423 1.00 0.00 O ATOM 0 H GLY A 52 -5.608 6.760 -1.759 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -3.377 7.207 -2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -3.829 8.856 -2.499 1.00 0.00 H new ATOM 783 N SER A 53 -3.879 8.127 0.664 1.00 0.00 N ATOM 784 CA SER A 53 -3.338 8.546 1.981 1.00 0.00 C ATOM 785 C SER A 53 -2.143 7.684 2.381 1.00 0.00 C ATOM 786 O SER A 53 -1.135 8.191 2.834 1.00 0.00 O ATOM 787 CB SER A 53 -4.445 8.379 3.033 1.00 0.00 C ATOM 788 OG SER A 53 -4.703 9.703 3.477 1.00 0.00 O ATOM 0 H SER A 53 -4.694 7.514 0.698 1.00 0.00 H new ATOM 0 HA SER A 53 -3.010 9.583 1.917 1.00 0.00 H new ATOM 0 HB2 SER A 53 -5.337 7.921 2.604 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.122 7.739 3.854 1.00 0.00 H new ATOM 0 HG SER A 53 -5.408 9.688 4.158 1.00 0.00 H new ATOM 794 N LYS A 54 -2.274 6.396 2.208 1.00 0.00 N ATOM 795 CA LYS A 54 -1.153 5.492 2.576 1.00 0.00 C ATOM 796 C LYS A 54 -0.198 5.301 1.396 1.00 0.00 C ATOM 797 O LYS A 54 -0.616 5.264 0.256 1.00 0.00 O ATOM 798 CB LYS A 54 -1.741 4.130 2.974 1.00 0.00 C ATOM 799 CG LYS A 54 -1.627 3.959 4.492 1.00 0.00 C ATOM 800 CD LYS A 54 -2.418 2.722 4.921 1.00 0.00 C ATOM 801 CE LYS A 54 -1.779 2.130 6.181 1.00 0.00 C ATOM 802 NZ LYS A 54 -0.429 1.580 5.872 1.00 0.00 N ATOM 0 H LYS A 54 -3.103 5.936 1.831 1.00 0.00 H new ATOM 0 HA LYS A 54 -0.595 5.931 3.403 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -2.785 4.066 2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -1.209 3.327 2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -0.581 3.854 4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -2.010 4.844 4.999 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -3.457 2.989 5.116 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -2.424 1.983 4.120 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -1.698 2.898 6.950 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.416 1.342 6.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -0.232 0.773 6.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -0.401 1.266 4.881 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 0.289 2.317 6.022 1.00 0.00 H new ATOM 816 N SER A 55 1.072 5.182 1.697 1.00 0.00 N ATOM 817 CA SER A 55 2.071 4.993 0.605 1.00 0.00 C ATOM 818 C SER A 55 2.395 3.519 0.402 1.00 0.00 C ATOM 819 O SER A 55 3.020 3.141 -0.582 1.00 0.00 O ATOM 820 CB SER A 55 3.361 5.722 1.007 1.00 0.00 C ATOM 821 OG SER A 55 2.944 7.057 1.255 1.00 0.00 O ATOM 0 H SER A 55 1.455 5.207 2.642 1.00 0.00 H new ATOM 0 HA SER A 55 1.657 5.388 -0.323 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.812 5.275 1.893 1.00 0.00 H new ATOM 0 HB3 SER A 55 4.107 5.679 0.213 1.00 0.00 H new ATOM 0 HG SER A 55 3.717 7.597 1.522 1.00 0.00 H new ATOM 827 N THR A 56 1.970 2.715 1.334 1.00 0.00 N ATOM 828 CA THR A 56 2.234 1.259 1.232 1.00 0.00 C ATOM 829 C THR A 56 1.001 0.465 1.648 1.00 0.00 C ATOM 830 O THR A 56 0.003 1.035 2.042 1.00 0.00 O ATOM 831 CB THR A 56 3.386 0.916 2.184 1.00 0.00 C ATOM 832 OG1 THR A 56 2.810 0.895 3.474 1.00 0.00 O ATOM 833 CG2 THR A 56 4.409 2.061 2.238 1.00 0.00 C ATOM 0 H THR A 56 1.451 3.006 2.162 1.00 0.00 H new ATOM 0 HA THR A 56 2.486 1.005 0.202 1.00 0.00 H new ATOM 0 HB THR A 56 3.865 -0.010 1.866 1.00 0.00 H new ATOM 0 HG1 THR A 56 3.499 0.678 4.136 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.217 1.795 2.920 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.816 2.232 1.242 1.00 0.00 H new ATOM 0 HG23 THR A 56 3.920 2.969 2.591 1.00 0.00 H new ATOM 841 N ALA A 57 1.084 -0.836 1.551 1.00 0.00 N ATOM 842 CA ALA A 57 -0.089 -1.660 1.943 1.00 0.00 C ATOM 843 C ALA A 57 0.268 -3.142 1.996 1.00 0.00 C ATOM 844 O ALA A 57 1.149 -3.597 1.290 1.00 0.00 O ATOM 845 CB ALA A 57 -1.192 -1.454 0.896 1.00 0.00 C ATOM 0 H ALA A 57 1.900 -1.353 1.223 1.00 0.00 H new ATOM 0 HA ALA A 57 -0.421 -1.352 2.935 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.064 -2.050 1.164 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.469 -0.400 0.862 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -0.827 -1.765 -0.083 1.00 0.00 H new ATOM 851 N THR A 58 -0.434 -3.869 2.840 1.00 0.00 N ATOM 852 CA THR A 58 -0.166 -5.329 2.970 1.00 0.00 C ATOM 853 C THR A 58 -1.341 -6.147 2.453 1.00 0.00 C ATOM 854 O THR A 58 -2.355 -6.258 3.115 1.00 0.00 O ATOM 855 CB THR A 58 0.031 -5.655 4.455 1.00 0.00 C ATOM 856 OG1 THR A 58 0.979 -4.719 4.923 1.00 0.00 O ATOM 857 CG2 THR A 58 0.715 -7.020 4.628 1.00 0.00 C ATOM 0 H THR A 58 -1.177 -3.509 3.439 1.00 0.00 H new ATOM 0 HA THR A 58 0.721 -5.577 2.386 1.00 0.00 H new ATOM 0 HB THR A 58 -0.932 -5.643 4.966 1.00 0.00 H new ATOM 0 HG1 THR A 58 1.149 -4.874 5.876 1.00 0.00 H new ATOM 0 HG21 THR A 58 0.844 -7.230 5.690 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.097 -7.796 4.177 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.690 -7.003 4.140 1.00 0.00 H new ATOM 865 N ILE A 59 -1.181 -6.706 1.276 1.00 0.00 N ATOM 866 CA ILE A 59 -2.273 -7.523 0.690 1.00 0.00 C ATOM 867 C ILE A 59 -1.878 -8.993 0.668 1.00 0.00 C ATOM 868 O ILE A 59 -0.731 -9.324 0.869 1.00 0.00 O ATOM 869 CB ILE A 59 -2.503 -7.053 -0.745 1.00 0.00 C ATOM 870 CG1 ILE A 59 -1.274 -6.293 -1.250 1.00 0.00 C ATOM 871 CG2 ILE A 59 -3.714 -6.100 -0.757 1.00 0.00 C ATOM 872 CD1 ILE A 59 -1.402 -6.031 -2.768 1.00 0.00 C ATOM 0 H ILE A 59 -0.341 -6.628 0.703 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.177 -7.408 1.288 1.00 0.00 H new ATOM 0 HB ILE A 59 -2.682 -7.915 -1.388 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.176 -5.348 -0.716 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -0.371 -6.869 -1.047 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -3.894 -5.753 -1.775 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -4.595 -6.627 -0.392 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -3.510 -5.245 -0.113 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.523 -5.490 -3.119 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.478 -6.981 -3.296 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -2.295 -5.437 -2.961 1.00 0.00 H new ATOM 884 N SER A 60 -2.835 -9.851 0.429 1.00 0.00 N ATOM 885 CA SER A 60 -2.518 -11.303 0.394 1.00 0.00 C ATOM 886 C SER A 60 -3.330 -12.012 -0.681 1.00 0.00 C ATOM 887 O SER A 60 -4.103 -11.397 -1.388 1.00 0.00 O ATOM 888 CB SER A 60 -2.862 -11.914 1.760 1.00 0.00 C ATOM 889 OG SER A 60 -2.253 -13.198 1.727 1.00 0.00 O ATOM 0 H SER A 60 -3.811 -9.610 0.259 1.00 0.00 H new ATOM 0 HA SER A 60 -1.459 -11.426 0.168 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.472 -11.308 2.578 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.940 -11.987 1.904 1.00 0.00 H new ATOM 0 HG SER A 60 -2.052 -13.488 2.641 1.00 0.00 H new ATOM 895 N GLY A 61 -3.141 -13.300 -0.782 1.00 0.00 N ATOM 896 CA GLY A 61 -3.894 -14.074 -1.807 1.00 0.00 C ATOM 897 C GLY A 61 -3.097 -14.127 -3.110 1.00 0.00 C ATOM 898 O GLY A 61 -3.554 -13.665 -4.137 1.00 0.00 O ATOM 0 H GLY A 61 -2.502 -13.845 -0.203 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.083 -15.085 -1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.865 -13.611 -1.983 1.00 0.00 H new ATOM 902 N LEU A 62 -1.914 -14.692 -3.033 1.00 0.00 N ATOM 903 CA LEU A 62 -1.057 -14.792 -4.247 1.00 0.00 C ATOM 904 C LEU A 62 -0.541 -16.223 -4.436 1.00 0.00 C ATOM 905 O LEU A 62 -1.143 -17.167 -3.968 1.00 0.00 O ATOM 906 CB LEU A 62 0.140 -13.833 -4.056 1.00 0.00 C ATOM 907 CG LEU A 62 0.838 -14.137 -2.726 1.00 0.00 C ATOM 908 CD1 LEU A 62 2.355 -14.028 -2.917 1.00 0.00 C ATOM 909 CD2 LEU A 62 0.385 -13.118 -1.687 1.00 0.00 C ATOM 0 H LEU A 62 -1.511 -15.085 -2.183 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.637 -14.526 -5.130 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.844 -13.945 -4.881 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.204 -12.799 -4.069 1.00 0.00 H new ATOM 0 HG LEU A 62 0.584 -15.143 -2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 62 2.857 -14.243 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.679 -14.744 -3.672 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.609 -13.019 -3.241 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.876 -13.325 -0.736 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.650 -12.115 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.695 -13.184 -1.559 1.00 0.00 H new ATOM 921 N LYS A 63 0.565 -16.354 -5.121 1.00 0.00 N ATOM 922 CA LYS A 63 1.129 -17.708 -5.347 1.00 0.00 C ATOM 923 C LYS A 63 2.683 -17.625 -5.484 1.00 0.00 C ATOM 924 O LYS A 63 3.182 -16.736 -6.144 1.00 0.00 O ATOM 925 CB LYS A 63 0.550 -18.252 -6.668 1.00 0.00 C ATOM 926 CG LYS A 63 -0.966 -18.430 -6.531 1.00 0.00 C ATOM 927 CD LYS A 63 -1.465 -19.327 -7.671 1.00 0.00 C ATOM 928 CE LYS A 63 -2.997 -19.336 -7.678 1.00 0.00 C ATOM 929 NZ LYS A 63 -3.528 -19.415 -6.286 1.00 0.00 N ATOM 0 H LYS A 63 1.096 -15.585 -5.529 1.00 0.00 H new ATOM 0 HA LYS A 63 0.876 -18.356 -4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.773 -17.565 -7.485 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.017 -19.205 -6.916 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.208 -18.876 -5.566 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -1.464 -17.461 -6.568 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -1.088 -18.963 -8.627 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -1.085 -20.341 -7.544 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.369 -18.434 -8.164 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.358 -20.184 -8.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -4.521 -19.723 -6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -2.967 -20.098 -5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -3.467 -18.479 -5.838 1.00 0.00 H new ATOM 943 N PRO A 64 3.432 -18.559 -4.860 1.00 0.00 N ATOM 944 CA PRO A 64 4.900 -18.535 -4.951 1.00 0.00 C ATOM 945 C PRO A 64 5.407 -18.745 -6.383 1.00 0.00 C ATOM 946 O PRO A 64 4.760 -19.381 -7.192 1.00 0.00 O ATOM 947 CB PRO A 64 5.372 -19.722 -4.082 1.00 0.00 C ATOM 948 CG PRO A 64 4.102 -20.485 -3.607 1.00 0.00 C ATOM 949 CD PRO A 64 2.883 -19.653 -4.034 1.00 0.00 C ATOM 0 HA PRO A 64 5.280 -17.567 -4.626 1.00 0.00 H new ATOM 0 HB2 PRO A 64 6.024 -20.381 -4.655 1.00 0.00 H new ATOM 0 HB3 PRO A 64 5.948 -19.367 -3.228 1.00 0.00 H new ATOM 0 HG2 PRO A 64 4.063 -21.480 -4.051 1.00 0.00 H new ATOM 0 HG3 PRO A 64 4.116 -20.619 -2.525 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.173 -20.256 -4.600 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.349 -19.263 -3.167 1.00 0.00 H new ATOM 957 N GLY A 65 6.563 -18.195 -6.658 1.00 0.00 N ATOM 958 CA GLY A 65 7.162 -18.332 -8.019 1.00 0.00 C ATOM 959 C GLY A 65 6.128 -18.114 -9.122 1.00 0.00 C ATOM 960 O GLY A 65 5.647 -19.056 -9.718 1.00 0.00 O ATOM 0 H GLY A 65 7.119 -17.655 -5.995 1.00 0.00 H new ATOM 0 HA2 GLY A 65 7.972 -17.611 -8.133 1.00 0.00 H new ATOM 0 HA3 GLY A 65 7.601 -19.324 -8.124 1.00 0.00 H new ATOM 964 N VAL A 66 5.808 -16.876 -9.374 1.00 0.00 N ATOM 965 CA VAL A 66 4.814 -16.590 -10.435 1.00 0.00 C ATOM 966 C VAL A 66 4.892 -15.128 -10.880 1.00 0.00 C ATOM 967 O VAL A 66 5.152 -14.238 -10.086 1.00 0.00 O ATOM 968 CB VAL A 66 3.403 -16.909 -9.894 1.00 0.00 C ATOM 969 CG1 VAL A 66 2.746 -15.646 -9.338 1.00 0.00 C ATOM 970 CG2 VAL A 66 2.544 -17.453 -11.036 1.00 0.00 C ATOM 0 H VAL A 66 6.189 -16.060 -8.895 1.00 0.00 H new ATOM 0 HA VAL A 66 5.029 -17.213 -11.304 1.00 0.00 H new ATOM 0 HB VAL A 66 3.488 -17.646 -9.096 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.752 -15.889 -8.961 1.00 0.00 H new ATOM 0 HG12 VAL A 66 3.354 -15.246 -8.527 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.662 -14.901 -10.129 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.545 -17.681 -10.663 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.474 -16.706 -11.827 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.999 -18.360 -11.433 1.00 0.00 H new ATOM 980 N ASP A 67 4.677 -14.915 -12.151 1.00 0.00 N ATOM 981 CA ASP A 67 4.727 -13.535 -12.691 1.00 0.00 C ATOM 982 C ASP A 67 3.473 -12.757 -12.333 1.00 0.00 C ATOM 983 O ASP A 67 2.383 -13.108 -12.744 1.00 0.00 O ATOM 984 CB ASP A 67 4.833 -13.620 -14.222 1.00 0.00 C ATOM 985 CG ASP A 67 5.397 -12.306 -14.763 1.00 0.00 C ATOM 986 OD1 ASP A 67 6.594 -12.128 -14.613 1.00 0.00 O ATOM 987 OD2 ASP A 67 4.597 -11.554 -15.295 1.00 0.00 O ATOM 0 H ASP A 67 4.469 -15.642 -12.836 1.00 0.00 H new ATOM 0 HA ASP A 67 5.586 -13.020 -12.261 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.478 -14.451 -14.508 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.852 -13.814 -14.656 1.00 0.00 H new ATOM 992 N TYR A 68 3.655 -11.707 -11.571 1.00 0.00 N ATOM 993 CA TYR A 68 2.504 -10.875 -11.162 1.00 0.00 C ATOM 994 C TYR A 68 2.648 -9.462 -11.704 1.00 0.00 C ATOM 995 O TYR A 68 3.676 -8.838 -11.541 1.00 0.00 O ATOM 996 CB TYR A 68 2.503 -10.800 -9.633 1.00 0.00 C ATOM 997 CG TYR A 68 1.481 -11.787 -9.070 1.00 0.00 C ATOM 998 CD1 TYR A 68 0.148 -11.676 -9.398 1.00 0.00 C ATOM 999 CD2 TYR A 68 1.880 -12.804 -8.227 1.00 0.00 C ATOM 1000 CE1 TYR A 68 -0.772 -12.566 -8.890 1.00 0.00 C ATOM 1001 CE2 TYR A 68 0.959 -13.692 -7.720 1.00 0.00 C ATOM 1002 CZ TYR A 68 -0.374 -13.581 -8.047 1.00 0.00 C ATOM 1003 OH TYR A 68 -1.298 -14.467 -7.531 1.00 0.00 O ATOM 0 H TYR A 68 4.560 -11.396 -11.218 1.00 0.00 H new ATOM 0 HA TYR A 68 1.583 -11.313 -11.548 1.00 0.00 H new ATOM 0 HB2 TYR A 68 3.496 -11.030 -9.247 1.00 0.00 H new ATOM 0 HB3 TYR A 68 2.262 -9.788 -9.309 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -0.178 -10.886 -10.058 1.00 0.00 H new ATOM 0 HD2 TYR A 68 2.923 -12.904 -7.963 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -1.814 -12.468 -9.155 1.00 0.00 H new ATOM 0 HE2 TYR A 68 1.284 -14.483 -7.060 1.00 0.00 H new ATOM 0 HH TYR A 68 -0.832 -15.243 -7.155 1.00 0.00 H new ATOM 1013 N THR A 69 1.614 -8.982 -12.338 1.00 0.00 N ATOM 1014 CA THR A 69 1.672 -7.609 -12.897 1.00 0.00 C ATOM 1015 C THR A 69 0.976 -6.628 -11.964 1.00 0.00 C ATOM 1016 O THR A 69 -0.197 -6.782 -11.673 1.00 0.00 O ATOM 1017 CB THR A 69 0.945 -7.604 -14.247 1.00 0.00 C ATOM 1018 OG1 THR A 69 1.042 -8.930 -14.729 1.00 0.00 O ATOM 1019 CG2 THR A 69 1.710 -6.760 -15.278 1.00 0.00 C ATOM 0 H THR A 69 0.737 -9.480 -12.491 1.00 0.00 H new ATOM 0 HA THR A 69 2.714 -7.311 -13.014 1.00 0.00 H new ATOM 0 HB THR A 69 -0.068 -7.223 -14.119 1.00 0.00 H new ATOM 0 HG1 THR A 69 0.736 -8.963 -15.659 1.00 0.00 H new ATOM 0 HG21 THR A 69 1.175 -6.772 -16.227 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.791 -5.734 -14.920 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.708 -7.175 -15.419 1.00 0.00 H new ATOM 1027 N ILE A 70 1.717 -5.641 -11.501 1.00 0.00 N ATOM 1028 CA ILE A 70 1.117 -4.629 -10.578 1.00 0.00 C ATOM 1029 C ILE A 70 1.017 -3.278 -11.265 1.00 0.00 C ATOM 1030 O ILE A 70 1.855 -2.927 -12.073 1.00 0.00 O ATOM 1031 CB ILE A 70 2.021 -4.482 -9.347 1.00 0.00 C ATOM 1032 CG1 ILE A 70 1.732 -3.147 -8.656 1.00 0.00 C ATOM 1033 CG2 ILE A 70 3.488 -4.489 -9.813 1.00 0.00 C ATOM 1034 CD1 ILE A 70 2.195 -3.213 -7.200 1.00 0.00 C ATOM 0 H ILE A 70 2.702 -5.498 -11.723 1.00 0.00 H new ATOM 0 HA ILE A 70 0.120 -4.962 -10.290 1.00 0.00 H new ATOM 0 HB ILE A 70 1.835 -5.302 -8.653 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.246 -2.338 -9.175 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.665 -2.927 -8.700 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.145 -4.385 -8.949 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.704 -5.428 -10.322 1.00 0.00 H new ATOM 0 HG23 ILE A 70 3.656 -3.658 -10.498 1.00 0.00 H new ATOM 0 HD11 ILE A 70 1.989 -2.262 -6.709 1.00 0.00 H new ATOM 0 HD12 ILE A 70 1.661 -4.011 -6.684 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.266 -3.413 -7.167 1.00 0.00 H new ATOM 1046 N THR A 71 -0.003 -2.538 -10.935 1.00 0.00 N ATOM 1047 CA THR A 71 -0.162 -1.212 -11.564 1.00 0.00 C ATOM 1048 C THR A 71 -0.833 -0.240 -10.625 1.00 0.00 C ATOM 1049 O THR A 71 -1.735 -0.607 -9.903 1.00 0.00 O ATOM 1050 CB THR A 71 -1.037 -1.372 -12.808 1.00 0.00 C ATOM 1051 OG1 THR A 71 -0.245 -2.078 -13.733 1.00 0.00 O ATOM 1052 CG2 THR A 71 -1.294 -0.013 -13.475 1.00 0.00 C ATOM 0 H THR A 71 -0.725 -2.796 -10.262 1.00 0.00 H new ATOM 0 HA THR A 71 0.824 -0.823 -11.819 1.00 0.00 H new ATOM 0 HB THR A 71 -1.980 -1.848 -12.537 1.00 0.00 H new ATOM 0 HG1 THR A 71 -0.473 -1.794 -14.643 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.918 -0.153 -14.357 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.802 0.647 -12.772 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.344 0.433 -13.770 1.00 0.00 H new ATOM 1060 N VAL A 72 -0.379 0.993 -10.656 1.00 0.00 N ATOM 1061 CA VAL A 72 -0.985 2.023 -9.763 1.00 0.00 C ATOM 1062 C VAL A 72 -1.404 3.244 -10.573 1.00 0.00 C ATOM 1063 O VAL A 72 -0.653 3.748 -11.401 1.00 0.00 O ATOM 1064 CB VAL A 72 0.047 2.419 -8.661 1.00 0.00 C ATOM 1065 CG1 VAL A 72 0.961 1.231 -8.390 1.00 0.00 C ATOM 1066 CG2 VAL A 72 0.898 3.609 -9.111 1.00 0.00 C ATOM 0 H VAL A 72 0.377 1.324 -11.256 1.00 0.00 H new ATOM 0 HA VAL A 72 -1.876 1.613 -9.286 1.00 0.00 H new ATOM 0 HB VAL A 72 -0.496 2.700 -7.759 1.00 0.00 H new ATOM 0 HG11 VAL A 72 1.686 1.498 -7.621 1.00 0.00 H new ATOM 0 HG12 VAL A 72 0.365 0.384 -8.049 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.486 0.960 -9.306 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.609 3.865 -8.326 1.00 0.00 H new ATOM 0 HG22 VAL A 72 1.440 3.346 -10.019 1.00 0.00 H new ATOM 0 HG23 VAL A 72 0.252 4.464 -9.309 1.00 0.00 H new ATOM 1076 N TYR A 73 -2.615 3.678 -10.337 1.00 0.00 N ATOM 1077 CA TYR A 73 -3.138 4.860 -11.063 1.00 0.00 C ATOM 1078 C TYR A 73 -3.155 6.086 -10.173 1.00 0.00 C ATOM 1079 O TYR A 73 -3.760 6.074 -9.117 1.00 0.00 O ATOM 1080 CB TYR A 73 -4.598 4.581 -11.453 1.00 0.00 C ATOM 1081 CG TYR A 73 -4.690 3.845 -12.794 1.00 0.00 C ATOM 1082 CD1 TYR A 73 -4.102 2.610 -12.962 1.00 0.00 C ATOM 1083 CD2 TYR A 73 -5.421 4.384 -13.839 1.00 0.00 C ATOM 1084 CE1 TYR A 73 -4.245 1.921 -14.152 1.00 0.00 C ATOM 1085 CE2 TYR A 73 -5.562 3.695 -15.025 1.00 0.00 C ATOM 1086 CZ TYR A 73 -4.976 2.459 -15.191 1.00 0.00 C ATOM 1087 OH TYR A 73 -5.127 1.764 -16.374 1.00 0.00 O ATOM 0 H TYR A 73 -3.262 3.259 -9.669 1.00 0.00 H new ATOM 0 HA TYR A 73 -2.499 5.038 -11.928 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -5.076 3.984 -10.676 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -5.145 5.522 -11.515 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -3.525 2.177 -12.158 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -5.885 5.353 -13.724 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -3.780 0.953 -14.269 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.137 4.128 -15.831 1.00 0.00 H new ATOM 0 HH TYR A 73 -5.672 2.290 -16.995 1.00 0.00 H new ATOM 1097 N ALA A 74 -2.492 7.121 -10.607 1.00 0.00 N ATOM 1098 CA ALA A 74 -2.464 8.360 -9.796 1.00 0.00 C ATOM 1099 C ALA A 74 -3.537 9.299 -10.318 1.00 0.00 C ATOM 1100 O ALA A 74 -3.287 10.100 -11.195 1.00 0.00 O ATOM 1101 CB ALA A 74 -1.089 9.029 -9.961 1.00 0.00 C ATOM 0 H ALA A 74 -1.972 7.159 -11.484 1.00 0.00 H new ATOM 0 HA ALA A 74 -2.641 8.132 -8.745 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -1.056 9.943 -9.368 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -0.310 8.347 -9.621 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.926 9.271 -11.011 1.00 0.00 H new ATOM 1107 N VAL A 75 -4.721 9.189 -9.774 1.00 0.00 N ATOM 1108 CA VAL A 75 -5.811 10.077 -10.249 1.00 0.00 C ATOM 1109 C VAL A 75 -5.702 11.471 -9.665 1.00 0.00 C ATOM 1110 O VAL A 75 -5.779 11.659 -8.465 1.00 0.00 O ATOM 1111 CB VAL A 75 -7.155 9.468 -9.841 1.00 0.00 C ATOM 1112 CG1 VAL A 75 -8.250 10.038 -10.747 1.00 0.00 C ATOM 1113 CG2 VAL A 75 -7.090 7.951 -10.021 1.00 0.00 C ATOM 0 H VAL A 75 -4.973 8.533 -9.034 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.731 10.162 -11.333 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.374 9.705 -8.800 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -9.213 9.612 -10.466 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -8.287 11.122 -10.636 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -8.031 9.787 -11.785 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.044 7.509 -9.732 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -6.883 7.717 -11.065 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -6.297 7.544 -9.394 1.00 0.00 H new ATOM 1123 N THR A 76 -5.535 12.425 -10.545 1.00 0.00 N ATOM 1124 CA THR A 76 -5.415 13.836 -10.110 1.00 0.00 C ATOM 1125 C THR A 76 -6.451 14.695 -10.830 1.00 0.00 C ATOM 1126 O THR A 76 -7.639 14.516 -10.654 1.00 0.00 O ATOM 1127 CB THR A 76 -4.013 14.326 -10.491 1.00 0.00 C ATOM 1128 OG1 THR A 76 -3.974 14.285 -11.904 1.00 0.00 O ATOM 1129 CG2 THR A 76 -2.943 13.317 -10.053 1.00 0.00 C ATOM 0 H THR A 76 -5.477 12.279 -11.553 1.00 0.00 H new ATOM 0 HA THR A 76 -5.579 13.910 -9.035 1.00 0.00 H new ATOM 0 HB THR A 76 -3.829 15.301 -10.040 1.00 0.00 H new ATOM 0 HG1 THR A 76 -3.097 14.591 -12.216 1.00 0.00 H new ATOM 0 HG21 THR A 76 -1.957 13.687 -10.334 1.00 0.00 H new ATOM 0 HG22 THR A 76 -2.987 13.187 -8.972 1.00 0.00 H new ATOM 0 HG23 THR A 76 -3.124 12.360 -10.541 1.00 0.00 H new ATOM 1266 N PRO A 87 -1.014 6.741 -15.879 1.00 0.00 N ATOM 1267 CA PRO A 87 -0.790 5.638 -14.944 1.00 0.00 C ATOM 1268 C PRO A 87 0.497 4.901 -15.275 1.00 0.00 C ATOM 1269 O PRO A 87 1.103 5.158 -16.298 1.00 0.00 O ATOM 1270 CB PRO A 87 -2.007 4.711 -15.133 1.00 0.00 C ATOM 1271 CG PRO A 87 -3.045 5.491 -15.996 1.00 0.00 C ATOM 1272 CD PRO A 87 -2.333 6.735 -16.547 1.00 0.00 C ATOM 0 HA PRO A 87 -0.690 5.987 -13.916 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -1.713 3.785 -15.627 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -2.436 4.436 -14.169 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -3.415 4.867 -16.810 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -3.908 5.776 -15.395 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -2.228 6.683 -17.631 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -2.894 7.643 -16.324 1.00 0.00 H new ATOM 1280 N ILE A 88 0.903 3.998 -14.411 1.00 0.00 N ATOM 1281 CA ILE A 88 2.158 3.256 -14.697 1.00 0.00 C ATOM 1282 C ILE A 88 2.076 1.818 -14.214 1.00 0.00 C ATOM 1283 O ILE A 88 1.679 1.557 -13.094 1.00 0.00 O ATOM 1284 CB ILE A 88 3.313 3.961 -13.974 1.00 0.00 C ATOM 1285 CG1 ILE A 88 4.613 3.183 -14.217 1.00 0.00 C ATOM 1286 CG2 ILE A 88 3.000 4.004 -12.449 1.00 0.00 C ATOM 1287 CD1 ILE A 88 5.818 4.101 -13.974 1.00 0.00 C ATOM 0 H ILE A 88 0.428 3.752 -13.543 1.00 0.00 H new ATOM 0 HA ILE A 88 2.318 3.242 -15.775 1.00 0.00 H new ATOM 0 HB ILE A 88 3.428 4.977 -14.352 1.00 0.00 H new ATOM 0 HG12 ILE A 88 4.661 2.320 -13.553 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.634 2.801 -15.238 1.00 0.00 H new ATOM 0 HG21 ILE A 88 3.815 4.503 -11.924 1.00 0.00 H new ATOM 0 HG22 ILE A 88 2.072 4.552 -12.283 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.894 2.987 -12.071 1.00 0.00 H new ATOM 0 HD11 ILE A 88 6.740 3.545 -14.147 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.772 4.950 -14.656 1.00 0.00 H new ATOM 0 HD13 ILE A 88 5.800 4.461 -12.945 1.00 0.00 H new ATOM 1299 N SER A 89 2.455 0.905 -15.083 1.00 0.00 N ATOM 1300 CA SER A 89 2.415 -0.536 -14.717 1.00 0.00 C ATOM 1301 C SER A 89 3.806 -1.155 -14.815 1.00 0.00 C ATOM 1302 O SER A 89 4.651 -0.671 -15.543 1.00 0.00 O ATOM 1303 CB SER A 89 1.491 -1.260 -15.705 1.00 0.00 C ATOM 1304 OG SER A 89 0.259 -0.560 -15.605 1.00 0.00 O ATOM 0 H SER A 89 2.788 1.103 -16.026 1.00 0.00 H new ATOM 0 HA SER A 89 2.054 -0.634 -13.693 1.00 0.00 H new ATOM 0 HB2 SER A 89 1.888 -1.226 -16.720 1.00 0.00 H new ATOM 0 HB3 SER A 89 1.374 -2.312 -15.444 1.00 0.00 H new ATOM 0 HG SER A 89 -0.381 -0.932 -16.247 1.00 0.00 H new ATOM 1310 N ILE A 90 4.023 -2.219 -14.086 1.00 0.00 N ATOM 1311 CA ILE A 90 5.357 -2.869 -14.136 1.00 0.00 C ATOM 1312 C ILE A 90 5.261 -4.364 -13.862 1.00 0.00 C ATOM 1313 O ILE A 90 4.572 -4.794 -12.952 1.00 0.00 O ATOM 1314 CB ILE A 90 6.246 -2.244 -13.061 1.00 0.00 C ATOM 1315 CG1 ILE A 90 5.382 -1.520 -12.028 1.00 0.00 C ATOM 1316 CG2 ILE A 90 7.180 -1.221 -13.732 1.00 0.00 C ATOM 1317 CD1 ILE A 90 6.257 -1.036 -10.860 1.00 0.00 C ATOM 0 H ILE A 90 3.341 -2.658 -13.467 1.00 0.00 H new ATOM 0 HA ILE A 90 5.770 -2.722 -15.134 1.00 0.00 H new ATOM 0 HB ILE A 90 6.824 -3.024 -12.565 1.00 0.00 H new ATOM 0 HG12 ILE A 90 4.879 -0.672 -12.492 1.00 0.00 H new ATOM 0 HG13 ILE A 90 4.605 -2.189 -11.659 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.822 -0.765 -12.978 1.00 0.00 H new ATOM 0 HG22 ILE A 90 7.796 -1.725 -14.477 1.00 0.00 H new ATOM 0 HG23 ILE A 90 6.584 -0.448 -14.217 1.00 0.00 H new ATOM 0 HD11 ILE A 90 5.635 -0.521 -10.128 1.00 0.00 H new ATOM 0 HD12 ILE A 90 6.740 -1.892 -10.388 1.00 0.00 H new ATOM 0 HD13 ILE A 90 7.018 -0.351 -11.235 1.00 0.00 H new ATOM 1329 N ASN A 91 5.957 -5.130 -14.657 1.00 0.00 N ATOM 1330 CA ASN A 91 5.929 -6.597 -14.467 1.00 0.00 C ATOM 1331 C ASN A 91 6.978 -6.999 -13.437 1.00 0.00 C ATOM 1332 O ASN A 91 8.104 -6.545 -13.495 1.00 0.00 O ATOM 1333 CB ASN A 91 6.266 -7.267 -15.809 1.00 0.00 C ATOM 1334 CG ASN A 91 5.679 -8.679 -15.833 1.00 0.00 C ATOM 1335 OD1 ASN A 91 4.479 -8.864 -15.822 1.00 0.00 O ATOM 1336 ND2 ASN A 91 6.490 -9.703 -15.866 1.00 0.00 N ATOM 0 H ASN A 91 6.540 -4.799 -15.426 1.00 0.00 H new ATOM 0 HA ASN A 91 4.943 -6.908 -14.121 1.00 0.00 H new ATOM 0 HB2 ASN A 91 5.862 -6.679 -16.633 1.00 0.00 H new ATOM 0 HB3 ASN A 91 7.347 -7.308 -15.946 1.00 0.00 H new ATOM 0 HD21 ASN A 91 6.114 -10.651 -15.882 1.00 0.00 H new ATOM 0 HD22 ASN A 91 7.499 -9.554 -15.875 1.00 0.00 H new ATOM 1343 N TYR A 92 6.593 -7.836 -12.510 1.00 0.00 N ATOM 1344 CA TYR A 92 7.566 -8.271 -11.471 1.00 0.00 C ATOM 1345 C TYR A 92 7.402 -9.748 -11.149 1.00 0.00 C ATOM 1346 O TYR A 92 6.305 -10.222 -10.936 1.00 0.00 O ATOM 1347 CB TYR A 92 7.291 -7.458 -10.187 1.00 0.00 C ATOM 1348 CG TYR A 92 8.502 -7.542 -9.239 1.00 0.00 C ATOM 1349 CD1 TYR A 92 8.800 -8.719 -8.570 1.00 0.00 C ATOM 1350 CD2 TYR A 92 9.308 -6.440 -9.034 1.00 0.00 C ATOM 1351 CE1 TYR A 92 9.884 -8.788 -7.719 1.00 0.00 C ATOM 1352 CE2 TYR A 92 10.392 -6.511 -8.180 1.00 0.00 C ATOM 1353 CZ TYR A 92 10.686 -7.685 -7.516 1.00 0.00 C ATOM 1354 OH TYR A 92 11.768 -7.755 -6.661 1.00 0.00 O ATOM 0 H TYR A 92 5.657 -8.233 -12.429 1.00 0.00 H new ATOM 0 HA TYR A 92 8.577 -8.107 -11.842 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.090 -6.417 -10.442 1.00 0.00 H new ATOM 0 HB3 TYR A 92 6.401 -7.841 -9.688 1.00 0.00 H new ATOM 0 HD1 TYR A 92 8.178 -9.590 -8.716 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.089 -5.514 -9.546 1.00 0.00 H new ATOM 0 HE1 TYR A 92 10.106 -9.713 -7.208 1.00 0.00 H new ATOM 0 HE2 TYR A 92 11.014 -5.641 -8.031 1.00 0.00 H new ATOM 0 HH TYR A 92 12.223 -6.887 -6.638 1.00 0.00 H new ATOM 1364 N ARG A 93 8.501 -10.450 -11.123 1.00 0.00 N ATOM 1365 CA ARG A 93 8.430 -11.895 -10.814 1.00 0.00 C ATOM 1366 C ARG A 93 8.535 -12.087 -9.314 1.00 0.00 C ATOM 1367 O ARG A 93 9.604 -11.950 -8.750 1.00 0.00 O ATOM 1368 CB ARG A 93 9.608 -12.621 -11.498 1.00 0.00 C ATOM 1369 CG ARG A 93 10.472 -11.604 -12.258 1.00 0.00 C ATOM 1370 CD ARG A 93 11.610 -12.339 -12.976 1.00 0.00 C ATOM 1371 NE ARG A 93 12.872 -12.150 -12.207 1.00 0.00 N ATOM 1372 CZ ARG A 93 13.621 -13.185 -11.949 1.00 0.00 C ATOM 1373 NH1 ARG A 93 13.056 -14.278 -11.513 1.00 0.00 N ATOM 1374 NH2 ARG A 93 14.910 -13.095 -12.136 1.00 0.00 N ATOM 0 H ARG A 93 9.436 -10.084 -11.302 1.00 0.00 H new ATOM 0 HA ARG A 93 7.486 -12.302 -11.176 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.211 -13.139 -10.752 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.231 -13.378 -12.186 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.863 -11.060 -12.980 1.00 0.00 H new ATOM 0 HG3 ARG A 93 10.880 -10.867 -11.566 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.377 -13.400 -13.062 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.726 -11.955 -13.989 1.00 0.00 H new ATOM 0 HE ARG A 93 13.147 -11.222 -11.886 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.045 -14.312 -11.380 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.625 -15.099 -11.306 1.00 0.00 H new ATOM 0 HH21 ARG A 93 15.316 -12.224 -12.479 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.511 -13.895 -11.939 1.00 0.00 H new ATOM 1388 N THR A 94 7.422 -12.404 -8.693 1.00 0.00 N ATOM 1389 CA THR A 94 7.437 -12.607 -7.211 1.00 0.00 C ATOM 1390 C THR A 94 7.066 -14.041 -6.856 1.00 0.00 C ATOM 1391 O THR A 94 6.160 -14.542 -7.499 1.00 0.00 O ATOM 1392 CB THR A 94 6.403 -11.656 -6.584 1.00 0.00 C ATOM 1393 OG1 THR A 94 5.795 -10.997 -7.675 1.00 0.00 O ATOM 1394 CG2 THR A 94 7.095 -10.523 -5.787 1.00 0.00 C ATOM 1395 OXT THR A 94 7.711 -14.558 -5.959 1.00 0.00 O ATOM 0 H THR A 94 6.515 -12.529 -9.143 1.00 0.00 H new ATOM 0 HA THR A 94 8.439 -12.404 -6.832 1.00 0.00 H new ATOM 0 HB THR A 94 5.733 -12.221 -5.936 1.00 0.00 H new ATOM 0 HG1 THR A 94 5.118 -10.371 -7.343 1.00 0.00 H new ATOM 0 HG21 THR A 94 6.339 -9.867 -5.356 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.698 -10.956 -4.989 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.736 -9.948 -6.455 1.00 0.00 H new