USER MOD reduce.3.24.130724 H: found=0, std=0, add=835, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 836 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 106 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 109 MET CE :methyl -178:sc= -1.01 (180deg=-1.04) USER MOD Set 1.3: A 110 SER OG : rot 180:sc= -0.065 USER MOD Set 2.1: A 96 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 97 ASN : amide:sc= 0 X(o=0,f=0.21) USER MOD Set 3.1: A 65 LYS NZ :NH3+ -179:sc= -0.777 (180deg=-0.351) USER MOD Set 3.2: A 68 SER OG : rot -38:sc= -1.41 USER MOD Set 4.1: A 23 TYR OH : rot -179:sc= -3.55! USER MOD Set 4.2: A 27 SER OG : rot 108:sc= 1.71 USER MOD Set 4.3: A 112 HIS : no HD1:sc= -8.93! C(o=-11!,f=-15!) USER MOD Single : A 12 TYR OH : rot 30:sc= -2.63! USER MOD Single : A 18 TYR OH : rot 175:sc= 1.15 USER MOD Single : A 20 THR OG1 : rot -165:sc= -1.94 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= -1.83 X(o=-1.8,f=-2.1!) USER MOD Single : A 30 ASN : amide:sc= -0.079 X(o=-0.079,f=-0.38) USER MOD Single : A 31 LYS NZ :NH3+ -172:sc= -1.03 (180deg=-1.23) USER MOD Single : A 34 GLN : amide:sc= -4.78 K(o=-4.8,f=-7.7!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0284) USER MOD Single : A 51 MET CE :methyl -157:sc= -3.37! (180deg=-4.42!) USER MOD Single : A 54 SER OG : rot 86:sc= 0.022 USER MOD Single : A 57 ASN : amide:sc= -2.6 X(o=-2.6,f=-2.5) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 72 MET CE :methyl -121:sc= -2.04! (180deg=-4.26!) USER MOD Single : A 73 THR OG1 : rot 57:sc= -5.2! USER MOD Single : A 75 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0222) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 SER OG : rot -94:sc= -0.918! USER MOD Single : A 82 THR OG1 : rot 78:sc= -0.0234 USER MOD Single : A 83 SER OG : rot -61:sc= 1.13 USER MOD Single : A 84 ASN : amide:sc= -0.278 K(o=-0.28,f=-2.7!) USER MOD Single : A 87 ASN : amide:sc= -3.48! C(o=-3.5!,f=-6.6!) USER MOD Single : A 92 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.045) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 MET CE :methyl 169:sc= 0 (180deg=-0.0383) USER MOD ----------------------------------------------------------------- ATOM 193 N TYR A 12 -3.391 3.083 15.104 1.00 0.00 N ATOM 194 CA TYR A 12 -3.795 4.407 15.563 1.00 0.00 C ATOM 195 C TYR A 12 -5.200 4.760 15.083 1.00 0.00 C ATOM 196 O TYR A 12 -6.156 4.714 15.857 1.00 0.00 O ATOM 197 CB TYR A 12 -2.767 5.438 15.062 1.00 0.00 C ATOM 198 CG TYR A 12 -1.610 4.788 14.323 1.00 0.00 C ATOM 199 CD1 TYR A 12 -0.860 3.790 14.933 1.00 0.00 C ATOM 200 CD2 TYR A 12 -1.299 5.131 13.015 1.00 0.00 C ATOM 201 CE1 TYR A 12 0.163 3.152 14.269 1.00 0.00 C ATOM 202 CE2 TYR A 12 -0.273 4.495 12.337 1.00 0.00 C ATOM 203 CZ TYR A 12 0.452 3.504 12.969 1.00 0.00 C ATOM 204 OH TYR A 12 1.473 2.869 12.301 1.00 0.00 O ATOM 0 HA TYR A 12 -3.822 4.415 16.653 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -3.262 6.150 14.402 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -2.381 6.004 15.910 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -1.085 3.509 15.951 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -1.865 5.905 12.519 1.00 0.00 H new ATOM 0 HE1 TYR A 12 0.735 2.381 14.764 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -0.041 4.772 11.319 1.00 0.00 H new ATOM 0 HH TYR A 12 1.565 1.953 12.638 1.00 0.00 H new ATOM 214 N GLY A 13 -5.326 5.111 13.805 1.00 0.00 N ATOM 215 CA GLY A 13 -6.630 5.462 13.270 1.00 0.00 C ATOM 216 C GLY A 13 -6.576 5.936 11.829 1.00 0.00 C ATOM 217 O GLY A 13 -6.821 5.162 10.905 1.00 0.00 O ATOM 0 H GLY A 13 -4.557 5.158 13.137 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -7.288 4.596 13.337 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.070 6.245 13.887 1.00 0.00 H new ATOM 221 N ILE A 14 -6.271 7.217 11.639 1.00 0.00 N ATOM 222 CA ILE A 14 -6.203 7.804 10.302 1.00 0.00 C ATOM 223 C ILE A 14 -5.419 6.922 9.334 1.00 0.00 C ATOM 224 O ILE A 14 -5.874 6.653 8.223 1.00 0.00 O ATOM 225 CB ILE A 14 -5.581 9.218 10.340 1.00 0.00 C ATOM 226 CG1 ILE A 14 -5.764 9.925 8.990 1.00 0.00 C ATOM 227 CG2 ILE A 14 -4.109 9.154 10.728 1.00 0.00 C ATOM 228 CD1 ILE A 14 -4.842 9.426 7.895 1.00 0.00 C ATOM 0 H ILE A 14 -6.066 7.870 12.395 1.00 0.00 H new ATOM 0 HA ILE A 14 -7.229 7.880 9.942 1.00 0.00 H new ATOM 0 HB ILE A 14 -6.102 9.800 11.101 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -6.797 9.800 8.664 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -5.600 10.994 9.128 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -3.694 10.162 10.748 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -4.012 8.702 11.715 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -3.566 8.552 9.999 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -5.037 9.978 6.976 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -3.805 9.577 8.196 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -5.020 8.364 7.725 1.00 0.00 H new ATOM 240 N GLU A 15 -4.243 6.472 9.756 1.00 0.00 N ATOM 241 CA GLU A 15 -3.415 5.619 8.912 1.00 0.00 C ATOM 242 C GLU A 15 -4.053 4.245 8.758 1.00 0.00 C ATOM 243 O GLU A 15 -3.936 3.609 7.711 1.00 0.00 O ATOM 244 CB GLU A 15 -2.008 5.487 9.497 1.00 0.00 C ATOM 245 CG GLU A 15 -1.011 6.471 8.906 1.00 0.00 C ATOM 246 CD GLU A 15 0.342 5.841 8.643 1.00 0.00 C ATOM 247 OE1 GLU A 15 0.459 5.070 7.667 1.00 0.00 O ATOM 248 OE2 GLU A 15 1.287 6.119 9.412 1.00 0.00 O ATOM 0 H GLU A 15 -3.844 6.682 10.671 1.00 0.00 H new ATOM 0 HA GLU A 15 -3.338 6.081 7.928 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -2.056 5.635 10.576 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.647 4.472 9.330 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.409 6.870 7.973 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.890 7.313 9.587 1.00 0.00 H new ATOM 255 N GLY A 16 -4.739 3.801 9.804 1.00 0.00 N ATOM 256 CA GLY A 16 -5.399 2.514 9.757 1.00 0.00 C ATOM 257 C GLY A 16 -6.614 2.538 8.856 1.00 0.00 C ATOM 258 O GLY A 16 -6.905 1.561 8.167 1.00 0.00 O ATOM 0 H GLY A 16 -4.849 4.309 10.681 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.698 1.759 9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.699 2.222 10.764 1.00 0.00 H new ATOM 262 N ARG A 17 -7.322 3.664 8.856 1.00 0.00 N ATOM 263 CA ARG A 17 -8.511 3.820 8.028 1.00 0.00 C ATOM 264 C ARG A 17 -8.154 3.768 6.548 1.00 0.00 C ATOM 265 O ARG A 17 -8.989 3.427 5.715 1.00 0.00 O ATOM 266 CB ARG A 17 -9.216 5.138 8.351 1.00 0.00 C ATOM 267 CG ARG A 17 -10.732 5.048 8.287 1.00 0.00 C ATOM 268 CD ARG A 17 -11.364 6.419 8.106 1.00 0.00 C ATOM 269 NE ARG A 17 -12.633 6.535 8.820 1.00 0.00 N ATOM 270 CZ ARG A 17 -13.458 7.574 8.704 1.00 0.00 C ATOM 271 NH1 ARG A 17 -13.150 8.586 7.902 1.00 0.00 N ATOM 272 NH2 ARG A 17 -14.592 7.601 9.390 1.00 0.00 N ATOM 0 H ARG A 17 -7.092 4.481 9.421 1.00 0.00 H new ATOM 0 HA ARG A 17 -9.187 2.994 8.248 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -8.921 5.463 9.349 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -8.876 5.903 7.653 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -11.025 4.399 7.461 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -11.109 4.590 9.201 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -10.676 7.185 8.463 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -11.527 6.606 7.045 1.00 0.00 H new ATOM 0 HE ARG A 17 -12.903 5.775 9.444 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -12.279 8.570 7.372 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.785 9.380 7.816 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -14.833 6.826 10.007 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.223 8.397 9.301 1.00 0.00 H new ATOM 286 N TYR A 18 -6.907 4.103 6.221 1.00 0.00 N ATOM 287 CA TYR A 18 -6.460 4.080 4.833 1.00 0.00 C ATOM 288 C TYR A 18 -6.643 2.690 4.240 1.00 0.00 C ATOM 289 O TYR A 18 -7.250 2.529 3.181 1.00 0.00 O ATOM 290 CB TYR A 18 -4.992 4.502 4.735 1.00 0.00 C ATOM 291 CG TYR A 18 -4.798 5.912 4.231 1.00 0.00 C ATOM 292 CD1 TYR A 18 -5.245 7.000 4.967 1.00 0.00 C ATOM 293 CD2 TYR A 18 -4.163 6.155 3.018 1.00 0.00 C ATOM 294 CE1 TYR A 18 -5.069 8.291 4.510 1.00 0.00 C ATOM 295 CE2 TYR A 18 -3.983 7.444 2.554 1.00 0.00 C ATOM 296 CZ TYR A 18 -4.437 8.509 3.304 1.00 0.00 C ATOM 297 OH TYR A 18 -4.260 9.794 2.846 1.00 0.00 O ATOM 0 H TYR A 18 -6.195 4.391 6.893 1.00 0.00 H new ATOM 0 HA TYR A 18 -7.066 4.787 4.266 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -4.530 4.410 5.718 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -4.469 3.813 4.072 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -5.739 6.834 5.913 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -3.805 5.323 2.429 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -5.425 9.126 5.095 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -3.489 7.617 1.609 1.00 0.00 H new ATOM 0 HH TYR A 18 -3.733 9.777 2.020 1.00 0.00 H new ATOM 307 N ALA A 19 -6.124 1.688 4.938 1.00 0.00 N ATOM 308 CA ALA A 19 -6.240 0.312 4.487 1.00 0.00 C ATOM 309 C ALA A 19 -7.668 -0.182 4.655 1.00 0.00 C ATOM 310 O ALA A 19 -8.156 -0.984 3.860 1.00 0.00 O ATOM 311 CB ALA A 19 -5.271 -0.581 5.247 1.00 0.00 C ATOM 0 H ALA A 19 -5.620 1.805 5.817 1.00 0.00 H new ATOM 0 HA ALA A 19 -5.984 0.271 3.428 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.371 -1.608 4.896 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -4.250 -0.238 5.077 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.496 -0.538 6.313 1.00 0.00 H new ATOM 317 N THR A 20 -8.341 0.312 5.689 1.00 0.00 N ATOM 318 CA THR A 20 -9.720 -0.076 5.944 1.00 0.00 C ATOM 319 C THR A 20 -10.650 0.562 4.919 1.00 0.00 C ATOM 320 O THR A 20 -11.709 0.019 4.608 1.00 0.00 O ATOM 321 CB THR A 20 -10.148 0.306 7.360 1.00 0.00 C ATOM 322 OG1 THR A 20 -9.027 0.390 8.218 1.00 0.00 O ATOM 323 CG2 THR A 20 -11.116 -0.683 7.973 1.00 0.00 C ATOM 0 H THR A 20 -7.955 0.977 6.359 1.00 0.00 H new ATOM 0 HA THR A 20 -9.786 -1.160 5.852 1.00 0.00 H new ATOM 0 HB THR A 20 -10.644 1.272 7.263 1.00 0.00 H new ATOM 0 HG1 THR A 20 -9.329 0.405 9.150 1.00 0.00 H new ATOM 0 HG21 THR A 20 -11.382 -0.356 8.978 1.00 0.00 H new ATOM 0 HG22 THR A 20 -12.015 -0.740 7.360 1.00 0.00 H new ATOM 0 HG23 THR A 20 -10.649 -1.666 8.023 1.00 0.00 H new ATOM 331 N ALA A 21 -10.241 1.711 4.385 1.00 0.00 N ATOM 332 CA ALA A 21 -11.039 2.401 3.383 1.00 0.00 C ATOM 333 C ALA A 21 -10.681 1.924 1.982 1.00 0.00 C ATOM 334 O ALA A 21 -11.202 2.432 0.989 1.00 0.00 O ATOM 335 CB ALA A 21 -10.860 3.908 3.502 1.00 0.00 C ATOM 0 H ALA A 21 -9.368 2.178 4.629 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.088 2.165 3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.464 4.407 2.745 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.177 4.235 4.492 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -9.810 4.163 3.354 1.00 0.00 H new ATOM 341 N LEU A 22 -9.812 0.921 1.911 1.00 0.00 N ATOM 342 CA LEU A 22 -9.411 0.344 0.635 1.00 0.00 C ATOM 343 C LEU A 22 -9.862 -1.091 0.608 1.00 0.00 C ATOM 344 O LEU A 22 -10.443 -1.562 -0.370 1.00 0.00 O ATOM 345 CB LEU A 22 -7.897 0.436 0.436 1.00 0.00 C ATOM 346 CG LEU A 22 -7.361 -0.304 -0.793 1.00 0.00 C ATOM 347 CD1 LEU A 22 -7.128 0.666 -1.941 1.00 0.00 C ATOM 348 CD2 LEU A 22 -6.079 -1.049 -0.451 1.00 0.00 C ATOM 0 H LEU A 22 -9.372 0.491 2.724 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.875 0.901 -0.179 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.619 1.487 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.404 0.040 1.324 1.00 0.00 H new ATOM 0 HG LEU A 22 -8.107 -1.034 -1.108 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.747 0.122 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.068 1.152 -2.203 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.402 1.420 -1.638 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.713 -1.569 -1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.326 -0.339 -0.110 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.279 -1.774 0.338 1.00 0.00 H new ATOM 360 N TYR A 23 -9.633 -1.770 1.717 1.00 0.00 N ATOM 361 CA TYR A 23 -10.059 -3.133 1.846 1.00 0.00 C ATOM 362 C TYR A 23 -11.581 -3.168 1.969 1.00 0.00 C ATOM 363 O TYR A 23 -12.195 -4.209 1.764 1.00 0.00 O ATOM 364 CB TYR A 23 -9.399 -3.784 3.057 1.00 0.00 C ATOM 365 CG TYR A 23 -10.384 -4.309 4.065 1.00 0.00 C ATOM 366 CD1 TYR A 23 -11.037 -5.509 3.849 1.00 0.00 C ATOM 367 CD2 TYR A 23 -10.668 -3.601 5.222 1.00 0.00 C ATOM 368 CE1 TYR A 23 -11.950 -5.996 4.751 1.00 0.00 C ATOM 369 CE2 TYR A 23 -11.578 -4.076 6.135 1.00 0.00 C ATOM 370 CZ TYR A 23 -12.223 -5.276 5.897 1.00 0.00 C ATOM 371 OH TYR A 23 -13.145 -5.750 6.799 1.00 0.00 O ATOM 0 H TYR A 23 -9.154 -1.392 2.535 1.00 0.00 H new ATOM 0 HA TYR A 23 -9.759 -3.697 0.963 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -8.765 -4.604 2.719 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -8.748 -3.056 3.541 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -10.824 -6.074 2.953 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.167 -2.663 5.409 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -12.451 -6.935 4.566 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.789 -3.515 7.034 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.231 -5.117 7.542 1.00 0.00 H new ATOM 381 N SER A 24 -12.194 -2.017 2.287 1.00 0.00 N ATOM 382 CA SER A 24 -13.647 -1.949 2.402 1.00 0.00 C ATOM 383 C SER A 24 -14.272 -2.585 1.172 1.00 0.00 C ATOM 384 O SER A 24 -15.283 -3.283 1.256 1.00 0.00 O ATOM 385 CB SER A 24 -14.112 -0.499 2.547 1.00 0.00 C ATOM 386 OG SER A 24 -13.837 0.246 1.373 1.00 0.00 O ATOM 0 H SER A 24 -11.710 -1.137 2.465 1.00 0.00 H new ATOM 0 HA SER A 24 -13.962 -2.491 3.294 1.00 0.00 H new ATOM 0 HB2 SER A 24 -15.182 -0.476 2.753 1.00 0.00 H new ATOM 0 HB3 SER A 24 -13.613 -0.038 3.399 1.00 0.00 H new ATOM 0 HG SER A 24 -14.146 1.169 1.491 1.00 0.00 H new ATOM 392 N ALA A 25 -13.621 -2.374 0.035 1.00 0.00 N ATOM 393 CA ALA A 25 -14.061 -2.960 -1.215 1.00 0.00 C ATOM 394 C ALA A 25 -13.539 -4.386 -1.296 1.00 0.00 C ATOM 395 O ALA A 25 -14.196 -5.274 -1.840 1.00 0.00 O ATOM 396 CB ALA A 25 -13.576 -2.136 -2.400 1.00 0.00 C ATOM 0 H ALA A 25 -12.783 -1.798 -0.042 1.00 0.00 H new ATOM 0 HA ALA A 25 -15.150 -2.969 -1.250 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -13.919 -2.595 -3.327 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -13.975 -1.124 -2.327 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -12.487 -2.098 -2.395 1.00 0.00 H new ATOM 402 N ALA A 26 -12.356 -4.600 -0.718 1.00 0.00 N ATOM 403 CA ALA A 26 -11.752 -5.923 -0.691 1.00 0.00 C ATOM 404 C ALA A 26 -12.489 -6.829 0.292 1.00 0.00 C ATOM 405 O ALA A 26 -12.302 -8.044 0.284 1.00 0.00 O ATOM 406 CB ALA A 26 -10.281 -5.827 -0.321 1.00 0.00 C ATOM 0 H ALA A 26 -11.802 -3.873 -0.265 1.00 0.00 H new ATOM 0 HA ALA A 26 -11.832 -6.358 -1.687 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -9.844 -6.825 -0.305 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -9.760 -5.214 -1.057 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -10.183 -5.372 0.665 1.00 0.00 H new ATOM 412 N SER A 27 -13.332 -6.232 1.135 1.00 0.00 N ATOM 413 CA SER A 27 -14.099 -6.990 2.114 1.00 0.00 C ATOM 414 C SER A 27 -15.245 -7.717 1.428 1.00 0.00 C ATOM 415 O SER A 27 -15.493 -8.895 1.688 1.00 0.00 O ATOM 416 CB SER A 27 -14.642 -6.062 3.203 1.00 0.00 C ATOM 417 OG SER A 27 -14.726 -6.732 4.449 1.00 0.00 O ATOM 0 H SER A 27 -13.498 -5.226 1.157 1.00 0.00 H new ATOM 0 HA SER A 27 -13.441 -7.724 2.580 1.00 0.00 H new ATOM 0 HB2 SER A 27 -13.995 -5.190 3.298 1.00 0.00 H new ATOM 0 HB3 SER A 27 -15.628 -5.697 2.916 1.00 0.00 H new ATOM 0 HG SER A 27 -14.026 -6.398 5.048 1.00 0.00 H new ATOM 423 N LYS A 28 -15.932 -7.012 0.533 1.00 0.00 N ATOM 424 CA LYS A 28 -17.040 -7.600 -0.207 1.00 0.00 C ATOM 425 C LYS A 28 -16.548 -8.783 -1.032 1.00 0.00 C ATOM 426 O LYS A 28 -17.293 -9.728 -1.292 1.00 0.00 O ATOM 427 CB LYS A 28 -17.687 -6.555 -1.120 1.00 0.00 C ATOM 428 CG LYS A 28 -18.825 -5.793 -0.462 1.00 0.00 C ATOM 429 CD LYS A 28 -18.969 -4.395 -1.042 1.00 0.00 C ATOM 430 CE LYS A 28 -17.984 -3.426 -0.409 1.00 0.00 C ATOM 431 NZ LYS A 28 -17.920 -2.137 -1.150 1.00 0.00 N ATOM 0 H LYS A 28 -15.740 -6.037 0.305 1.00 0.00 H new ATOM 0 HA LYS A 28 -17.787 -7.950 0.505 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -16.925 -5.846 -1.443 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -18.062 -7.050 -2.016 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -19.757 -6.342 -0.597 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -18.647 -5.726 0.611 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -18.807 -4.428 -2.119 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -19.986 -4.037 -0.883 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -18.274 -3.237 0.624 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -16.993 -3.880 -0.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -17.237 -1.504 -0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -17.619 -2.314 -2.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -18.859 -1.691 -1.152 1.00 0.00 H new ATOM 445 N GLN A 29 -15.280 -8.724 -1.430 1.00 0.00 N ATOM 446 CA GLN A 29 -14.671 -9.789 -2.213 1.00 0.00 C ATOM 447 C GLN A 29 -13.993 -10.802 -1.298 1.00 0.00 C ATOM 448 O GLN A 29 -14.162 -12.010 -1.469 1.00 0.00 O ATOM 449 CB GLN A 29 -13.653 -9.210 -3.199 1.00 0.00 C ATOM 450 CG GLN A 29 -14.287 -8.437 -4.343 1.00 0.00 C ATOM 451 CD GLN A 29 -14.385 -6.950 -4.057 1.00 0.00 C ATOM 452 OE1 GLN A 29 -15.439 -6.451 -3.664 1.00 0.00 O ATOM 453 NE2 GLN A 29 -13.285 -6.235 -4.256 1.00 0.00 N ATOM 0 H GLN A 29 -14.654 -7.946 -1.221 1.00 0.00 H new ATOM 0 HA GLN A 29 -15.456 -10.295 -2.775 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -12.972 -8.552 -2.660 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.054 -10.023 -3.609 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -13.702 -8.591 -5.250 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -15.284 -8.833 -4.536 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -12.433 -6.690 -4.583 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -13.292 -5.230 -4.082 1.00 0.00 H new ATOM 462 N ASN A 30 -13.219 -10.294 -0.332 1.00 0.00 N ATOM 463 CA ASN A 30 -12.494 -11.130 0.627 1.00 0.00 C ATOM 464 C ASN A 30 -11.048 -11.278 0.192 1.00 0.00 C ATOM 465 O ASN A 30 -10.430 -12.326 0.380 1.00 0.00 O ATOM 466 CB ASN A 30 -13.140 -12.512 0.788 1.00 0.00 C ATOM 467 CG ASN A 30 -12.766 -13.176 2.099 1.00 0.00 C ATOM 468 OD1 ASN A 30 -13.484 -13.064 3.092 1.00 0.00 O ATOM 469 ND2 ASN A 30 -11.635 -13.871 2.109 1.00 0.00 N ATOM 0 H ASN A 30 -13.079 -9.293 -0.195 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.537 -10.634 1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -14.224 -12.412 0.731 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.835 -13.152 -0.040 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -11.331 -14.338 2.963 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.070 -13.938 1.262 1.00 0.00 H new ATOM 476 N LYS A 31 -10.516 -10.214 -0.397 1.00 0.00 N ATOM 477 CA LYS A 31 -9.143 -10.210 -0.868 1.00 0.00 C ATOM 478 C LYS A 31 -8.188 -9.702 0.207 1.00 0.00 C ATOM 479 O LYS A 31 -7.048 -9.351 -0.093 1.00 0.00 O ATOM 480 CB LYS A 31 -9.016 -9.357 -2.131 1.00 0.00 C ATOM 481 CG LYS A 31 -9.180 -10.150 -3.417 1.00 0.00 C ATOM 482 CD LYS A 31 -10.591 -10.032 -3.969 1.00 0.00 C ATOM 483 CE LYS A 31 -10.626 -10.286 -5.467 1.00 0.00 C ATOM 484 NZ LYS A 31 -9.997 -9.177 -6.235 1.00 0.00 N ATOM 0 H LYS A 31 -11.019 -9.342 -0.559 1.00 0.00 H new ATOM 0 HA LYS A 31 -8.869 -11.238 -1.104 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -9.766 -8.566 -2.103 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.040 -8.871 -2.135 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.467 -9.792 -4.160 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.948 -11.199 -3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.242 -10.745 -3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.983 -9.037 -3.758 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -10.109 -11.220 -5.689 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -11.660 -10.410 -5.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -10.161 -9.322 -7.252 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -10.416 -8.271 -5.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.974 -9.162 -6.048 1.00 0.00 H new ATOM 498 N LEU A 32 -8.647 -9.680 1.465 1.00 0.00 N ATOM 499 CA LEU A 32 -7.814 -9.233 2.581 1.00 0.00 C ATOM 500 C LEU A 32 -6.395 -9.755 2.419 1.00 0.00 C ATOM 501 O LEU A 32 -5.432 -9.077 2.756 1.00 0.00 O ATOM 502 CB LEU A 32 -8.402 -9.737 3.895 1.00 0.00 C ATOM 503 CG LEU A 32 -9.542 -8.890 4.445 1.00 0.00 C ATOM 504 CD1 LEU A 32 -10.008 -9.428 5.785 1.00 0.00 C ATOM 505 CD2 LEU A 32 -9.099 -7.442 4.563 1.00 0.00 C ATOM 0 H LEU A 32 -9.589 -9.966 1.732 1.00 0.00 H new ATOM 0 HA LEU A 32 -7.790 -8.143 2.590 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -8.761 -10.756 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -7.608 -9.782 4.640 1.00 0.00 H new ATOM 0 HG LEU A 32 -10.385 -8.939 3.756 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -10.823 -8.810 6.162 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -10.357 -10.454 5.664 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -9.180 -9.408 6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.919 -6.842 4.957 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -8.245 -7.377 5.237 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -8.815 -7.067 3.580 1.00 0.00 H new ATOM 517 N GLU A 33 -6.286 -10.963 1.879 1.00 0.00 N ATOM 518 CA GLU A 33 -4.986 -11.582 1.647 1.00 0.00 C ATOM 519 C GLU A 33 -4.255 -10.865 0.517 1.00 0.00 C ATOM 520 O GLU A 33 -3.095 -10.479 0.660 1.00 0.00 O ATOM 521 CB GLU A 33 -5.155 -13.064 1.305 1.00 0.00 C ATOM 522 CG GLU A 33 -5.635 -13.907 2.475 1.00 0.00 C ATOM 523 CD GLU A 33 -5.027 -15.296 2.481 1.00 0.00 C ATOM 524 OE1 GLU A 33 -5.253 -16.047 1.509 1.00 0.00 O ATOM 525 OE2 GLU A 33 -4.325 -15.633 3.458 1.00 0.00 O ATOM 0 H GLU A 33 -7.082 -11.534 1.594 1.00 0.00 H new ATOM 0 HA GLU A 33 -4.395 -11.498 2.559 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -5.865 -13.160 0.483 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -4.202 -13.458 0.951 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -5.387 -13.402 3.408 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -6.721 -13.990 2.437 1.00 0.00 H new ATOM 532 N GLN A 34 -4.949 -10.682 -0.603 1.00 0.00 N ATOM 533 CA GLN A 34 -4.377 -9.999 -1.757 1.00 0.00 C ATOM 534 C GLN A 34 -4.047 -8.550 -1.415 1.00 0.00 C ATOM 535 O GLN A 34 -3.167 -7.943 -2.026 1.00 0.00 O ATOM 536 CB GLN A 34 -5.347 -10.053 -2.940 1.00 0.00 C ATOM 537 CG GLN A 34 -4.747 -10.681 -4.188 1.00 0.00 C ATOM 538 CD GLN A 34 -3.575 -9.891 -4.733 1.00 0.00 C ATOM 539 OE1 GLN A 34 -2.727 -9.414 -3.980 1.00 0.00 O ATOM 540 NE2 GLN A 34 -3.521 -9.746 -6.053 1.00 0.00 N ATOM 0 H GLN A 34 -5.910 -10.998 -0.735 1.00 0.00 H new ATOM 0 HA GLN A 34 -3.454 -10.508 -2.034 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -6.232 -10.618 -2.648 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.678 -9.041 -3.175 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -4.421 -11.696 -3.959 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -5.516 -10.759 -4.956 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.245 -10.158 -6.641 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -2.755 -9.223 -6.478 1.00 0.00 H new ATOM 549 N VAL A 35 -4.757 -8.002 -0.434 1.00 0.00 N ATOM 550 CA VAL A 35 -4.536 -6.623 -0.011 1.00 0.00 C ATOM 551 C VAL A 35 -3.659 -6.566 1.241 1.00 0.00 C ATOM 552 O VAL A 35 -3.153 -5.505 1.602 1.00 0.00 O ATOM 553 CB VAL A 35 -5.864 -5.882 0.285 1.00 0.00 C ATOM 554 CG1 VAL A 35 -5.805 -4.461 -0.247 1.00 0.00 C ATOM 555 CG2 VAL A 35 -7.070 -6.625 -0.292 1.00 0.00 C ATOM 0 H VAL A 35 -5.489 -8.490 0.082 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.034 -6.127 -0.842 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.991 -5.849 1.367 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.745 -3.953 -0.032 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.985 -3.927 0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -5.643 -4.482 -1.325 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -7.981 -6.073 -0.063 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.961 -6.712 -1.373 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.129 -7.621 0.148 1.00 0.00 H new ATOM 565 N GLU A 36 -3.480 -7.708 1.898 1.00 0.00 N ATOM 566 CA GLU A 36 -2.658 -7.775 3.104 1.00 0.00 C ATOM 567 C GLU A 36 -1.235 -8.185 2.754 1.00 0.00 C ATOM 568 O GLU A 36 -0.293 -7.893 3.492 1.00 0.00 O ATOM 569 CB GLU A 36 -3.251 -8.760 4.116 1.00 0.00 C ATOM 570 CG GLU A 36 -2.384 -8.968 5.349 1.00 0.00 C ATOM 571 CD GLU A 36 -1.587 -10.257 5.289 1.00 0.00 C ATOM 572 OE1 GLU A 36 -0.706 -10.370 4.410 1.00 0.00 O ATOM 573 OE2 GLU A 36 -1.844 -11.153 6.121 1.00 0.00 O ATOM 0 H GLU A 36 -3.892 -8.598 1.617 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.641 -6.783 3.556 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -4.231 -8.400 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.406 -9.721 3.626 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -1.700 -8.126 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.017 -8.977 6.237 1.00 0.00 H new ATOM 580 N LYS A 37 -1.083 -8.851 1.615 1.00 0.00 N ATOM 581 CA LYS A 37 0.226 -9.287 1.160 1.00 0.00 C ATOM 582 C LYS A 37 0.900 -8.153 0.413 1.00 0.00 C ATOM 583 O LYS A 37 2.113 -7.960 0.509 1.00 0.00 O ATOM 584 CB LYS A 37 0.102 -10.517 0.258 1.00 0.00 C ATOM 585 CG LYS A 37 0.195 -11.833 1.009 1.00 0.00 C ATOM 586 CD LYS A 37 1.612 -12.383 0.998 1.00 0.00 C ATOM 587 CE LYS A 37 1.965 -13.039 2.323 1.00 0.00 C ATOM 588 NZ LYS A 37 3.416 -13.361 2.415 1.00 0.00 N ATOM 0 H LYS A 37 -1.852 -9.099 0.992 1.00 0.00 H new ATOM 0 HA LYS A 37 0.830 -9.562 2.025 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.851 -10.476 -0.269 1.00 0.00 H new ATOM 0 HB3 LYS A 37 0.886 -10.483 -0.498 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.132 -11.689 2.039 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.481 -12.559 0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 37 1.715 -13.110 0.192 1.00 0.00 H new ATOM 0 HD3 LYS A 37 2.315 -11.576 0.792 1.00 0.00 H new ATOM 0 HE2 LYS A 37 1.688 -12.375 3.142 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.382 -13.952 2.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.615 -13.807 3.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.676 -14.015 1.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 3.972 -12.486 2.327 1.00 0.00 H new ATOM 602 N GLU A 38 0.098 -7.392 -0.324 1.00 0.00 N ATOM 603 CA GLU A 38 0.605 -6.265 -1.079 1.00 0.00 C ATOM 604 C GLU A 38 1.331 -5.277 -0.175 1.00 0.00 C ATOM 605 O GLU A 38 2.444 -4.845 -0.472 1.00 0.00 O ATOM 606 CB GLU A 38 -0.546 -5.552 -1.775 1.00 0.00 C ATOM 607 CG GLU A 38 -1.724 -5.253 -0.866 1.00 0.00 C ATOM 608 CD GLU A 38 -1.655 -3.869 -0.248 1.00 0.00 C ATOM 609 OE1 GLU A 38 -0.618 -3.194 -0.418 1.00 0.00 O ATOM 610 OE2 GLU A 38 -2.641 -3.456 0.395 1.00 0.00 O ATOM 0 H GLU A 38 -0.907 -7.540 -0.411 1.00 0.00 H new ATOM 0 HA GLU A 38 1.311 -6.645 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.179 -4.617 -2.197 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.889 -6.165 -2.609 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.649 -5.346 -1.435 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -1.762 -5.999 -0.072 1.00 0.00 H new ATOM 617 N LEU A 39 0.687 -4.911 0.926 1.00 0.00 N ATOM 618 CA LEU A 39 1.264 -3.960 1.865 1.00 0.00 C ATOM 619 C LEU A 39 2.685 -4.362 2.240 1.00 0.00 C ATOM 620 O LEU A 39 3.565 -3.514 2.380 1.00 0.00 O ATOM 621 CB LEU A 39 0.393 -3.853 3.115 1.00 0.00 C ATOM 622 CG LEU A 39 -1.051 -3.407 2.868 1.00 0.00 C ATOM 623 CD1 LEU A 39 -1.836 -3.399 4.169 1.00 0.00 C ATOM 624 CD2 LEU A 39 -1.084 -2.031 2.216 1.00 0.00 C ATOM 0 H LEU A 39 -0.235 -5.259 1.190 1.00 0.00 H new ATOM 0 HA LEU A 39 1.303 -2.984 1.382 1.00 0.00 H new ATOM 0 HB2 LEU A 39 0.377 -4.823 3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 39 0.860 -3.150 3.805 1.00 0.00 H new ATOM 0 HG LEU A 39 -1.518 -4.119 2.188 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.860 -3.080 3.974 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.844 -4.402 4.595 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.368 -2.710 4.872 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.119 -1.732 2.049 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.598 -1.307 2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.558 -2.068 1.262 1.00 0.00 H new ATOM 636 N LEU A 40 2.907 -5.663 2.388 1.00 0.00 N ATOM 637 CA LEU A 40 4.228 -6.171 2.732 1.00 0.00 C ATOM 638 C LEU A 40 5.206 -5.950 1.582 1.00 0.00 C ATOM 639 O LEU A 40 6.417 -5.877 1.788 1.00 0.00 O ATOM 640 CB LEU A 40 4.155 -7.660 3.080 1.00 0.00 C ATOM 641 CG LEU A 40 5.356 -8.203 3.857 1.00 0.00 C ATOM 642 CD1 LEU A 40 5.335 -7.700 5.291 1.00 0.00 C ATOM 643 CD2 LEU A 40 5.367 -9.723 3.823 1.00 0.00 C ATOM 0 H LEU A 40 2.192 -6.382 2.276 1.00 0.00 H new ATOM 0 HA LEU A 40 4.586 -5.623 3.604 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.253 -7.837 3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.052 -8.229 2.156 1.00 0.00 H new ATOM 0 HG LEU A 40 6.268 -7.842 3.381 1.00 0.00 H new ATOM 0 HD11 LEU A 40 6.197 -8.096 5.828 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.375 -6.611 5.295 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.419 -8.032 5.780 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.228 -10.093 4.380 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.451 -10.104 4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.430 -10.063 2.789 1.00 0.00 H new ATOM 655 N ARG A 41 4.670 -5.840 0.369 1.00 0.00 N ATOM 656 CA ARG A 41 5.493 -5.621 -0.814 1.00 0.00 C ATOM 657 C ARG A 41 6.018 -4.189 -0.850 1.00 0.00 C ATOM 658 O ARG A 41 7.219 -3.964 -1.001 1.00 0.00 O ATOM 659 CB ARG A 41 4.689 -5.920 -2.083 1.00 0.00 C ATOM 660 CG ARG A 41 5.211 -7.114 -2.864 1.00 0.00 C ATOM 661 CD ARG A 41 4.881 -8.424 -2.167 1.00 0.00 C ATOM 662 NE ARG A 41 6.026 -8.957 -1.433 1.00 0.00 N ATOM 663 CZ ARG A 41 6.031 -10.143 -0.828 1.00 0.00 C ATOM 664 NH1 ARG A 41 4.955 -10.920 -0.865 1.00 0.00 N ATOM 665 NH2 ARG A 41 7.115 -10.553 -0.183 1.00 0.00 N ATOM 0 H ARG A 41 3.669 -5.899 0.181 1.00 0.00 H new ATOM 0 HA ARG A 41 6.345 -6.299 -0.768 1.00 0.00 H new ATOM 0 HB2 ARG A 41 3.649 -6.101 -1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.702 -5.041 -2.727 1.00 0.00 H new ATOM 0 HG2 ARG A 41 4.777 -7.114 -3.864 1.00 0.00 H new ATOM 0 HG3 ARG A 41 6.291 -7.027 -2.985 1.00 0.00 H new ATOM 0 HD2 ARG A 41 4.050 -8.269 -1.479 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.552 -9.155 -2.906 1.00 0.00 H new ATOM 0 HE ARG A 41 6.871 -8.388 -1.381 1.00 0.00 H new ATOM 0 HH11 ARG A 41 4.118 -10.609 -1.359 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.965 -11.828 -0.400 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.944 -9.960 -0.151 1.00 0.00 H new ATOM 0 HH22 ARG A 41 7.119 -11.461 0.281 1.00 0.00 H new ATOM 679 N VAL A 42 5.114 -3.223 -0.705 1.00 0.00 N ATOM 680 CA VAL A 42 5.498 -1.816 -0.718 1.00 0.00 C ATOM 681 C VAL A 42 6.461 -1.505 0.424 1.00 0.00 C ATOM 682 O VAL A 42 7.259 -0.572 0.338 1.00 0.00 O ATOM 683 CB VAL A 42 4.270 -0.889 -0.613 1.00 0.00 C ATOM 684 CG1 VAL A 42 4.681 0.569 -0.767 1.00 0.00 C ATOM 685 CG2 VAL A 42 3.223 -1.262 -1.654 1.00 0.00 C ATOM 0 H VAL A 42 4.116 -3.389 -0.578 1.00 0.00 H new ATOM 0 HA VAL A 42 5.993 -1.631 -1.671 1.00 0.00 H new ATOM 0 HB VAL A 42 3.831 -1.018 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 42 3.800 1.206 -0.690 1.00 0.00 H new ATOM 0 HG12 VAL A 42 5.389 0.832 0.019 1.00 0.00 H new ATOM 0 HG13 VAL A 42 5.149 0.714 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.365 -0.596 -1.562 1.00 0.00 H new ATOM 0 HG22 VAL A 42 3.652 -1.167 -2.652 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.902 -2.291 -1.494 1.00 0.00 H new ATOM 695 N GLY A 43 6.385 -2.294 1.493 1.00 0.00 N ATOM 696 CA GLY A 43 7.261 -2.085 2.630 1.00 0.00 C ATOM 697 C GLY A 43 8.682 -2.526 2.349 1.00 0.00 C ATOM 698 O GLY A 43 9.636 -1.829 2.692 1.00 0.00 O ATOM 0 H GLY A 43 5.733 -3.072 1.591 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.257 -1.029 2.899 1.00 0.00 H new ATOM 0 HA3 GLY A 43 6.875 -2.634 3.489 1.00 0.00 H new ATOM 702 N GLN A 44 8.823 -3.688 1.717 1.00 0.00 N ATOM 703 CA GLN A 44 10.138 -4.222 1.385 1.00 0.00 C ATOM 704 C GLN A 44 10.826 -3.356 0.332 1.00 0.00 C ATOM 705 O GLN A 44 12.051 -3.357 0.216 1.00 0.00 O ATOM 706 CB GLN A 44 10.014 -5.660 0.877 1.00 0.00 C ATOM 707 CG GLN A 44 9.709 -6.668 1.974 1.00 0.00 C ATOM 708 CD GLN A 44 10.437 -7.983 1.775 1.00 0.00 C ATOM 709 OE1 GLN A 44 11.259 -8.382 2.601 1.00 0.00 O ATOM 710 NE2 GLN A 44 10.137 -8.664 0.675 1.00 0.00 N ATOM 0 H GLN A 44 8.043 -4.277 1.425 1.00 0.00 H new ATOM 0 HA GLN A 44 10.745 -4.215 2.290 1.00 0.00 H new ATOM 0 HB2 GLN A 44 9.226 -5.704 0.125 1.00 0.00 H new ATOM 0 HB3 GLN A 44 10.943 -5.943 0.383 1.00 0.00 H new ATOM 0 HG2 GLN A 44 9.988 -6.245 2.939 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.635 -6.852 2.005 1.00 0.00 H new ATOM 0 HE21 GLN A 44 9.449 -8.295 0.018 1.00 0.00 H new ATOM 0 HE22 GLN A 44 10.594 -9.556 0.487 1.00 0.00 H new ATOM 719 N ILE A 45 10.029 -2.617 -0.433 1.00 0.00 N ATOM 720 CA ILE A 45 10.560 -1.745 -1.475 1.00 0.00 C ATOM 721 C ILE A 45 11.245 -0.520 -0.873 1.00 0.00 C ATOM 722 O ILE A 45 12.059 0.127 -1.529 1.00 0.00 O ATOM 723 CB ILE A 45 9.445 -1.289 -2.440 1.00 0.00 C ATOM 724 CG1 ILE A 45 8.817 -2.501 -3.131 1.00 0.00 C ATOM 725 CG2 ILE A 45 9.990 -0.310 -3.471 1.00 0.00 C ATOM 726 CD1 ILE A 45 7.402 -2.259 -3.608 1.00 0.00 C ATOM 0 H ILE A 45 9.012 -2.605 -0.351 1.00 0.00 H new ATOM 0 HA ILE A 45 11.297 -2.322 -2.033 1.00 0.00 H new ATOM 0 HB ILE A 45 8.675 -0.778 -1.861 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.435 -2.784 -3.983 1.00 0.00 H new ATOM 0 HG13 ILE A 45 8.820 -3.344 -2.441 1.00 0.00 H new ATOM 0 HG21 ILE A 45 9.187 -0.002 -4.140 1.00 0.00 H new ATOM 0 HG22 ILE A 45 10.395 0.565 -2.963 1.00 0.00 H new ATOM 0 HG23 ILE A 45 10.779 -0.792 -4.048 1.00 0.00 H new ATOM 0 HD11 ILE A 45 7.021 -3.160 -4.088 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.770 -2.005 -2.757 1.00 0.00 H new ATOM 0 HD13 ILE A 45 7.395 -1.437 -4.323 1.00 0.00 H new ATOM 738 N LEU A 46 10.914 -0.203 0.375 1.00 0.00 N ATOM 739 CA LEU A 46 11.509 0.947 1.044 1.00 0.00 C ATOM 740 C LEU A 46 12.842 0.576 1.683 1.00 0.00 C ATOM 741 O LEU A 46 13.747 1.404 1.782 1.00 0.00 O ATOM 742 CB LEU A 46 10.556 1.504 2.104 1.00 0.00 C ATOM 743 CG LEU A 46 9.255 2.107 1.566 1.00 0.00 C ATOM 744 CD1 LEU A 46 8.600 2.983 2.622 1.00 0.00 C ATOM 745 CD2 LEU A 46 9.514 2.908 0.297 1.00 0.00 C ATOM 0 H LEU A 46 10.242 -0.723 0.939 1.00 0.00 H new ATOM 0 HA LEU A 46 11.689 1.716 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.305 0.703 2.799 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.082 2.269 2.675 1.00 0.00 H new ATOM 0 HG LEU A 46 8.576 1.290 1.321 1.00 0.00 H new ATOM 0 HD11 LEU A 46 7.677 3.404 2.224 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.375 2.383 3.504 1.00 0.00 H new ATOM 0 HD13 LEU A 46 9.278 3.791 2.896 1.00 0.00 H new ATOM 0 HD21 LEU A 46 8.576 3.327 -0.067 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.212 3.716 0.513 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.940 2.255 -0.465 1.00 0.00 H new ATOM 757 N LYS A 47 12.962 -0.678 2.110 1.00 0.00 N ATOM 758 CA LYS A 47 14.191 -1.154 2.731 1.00 0.00 C ATOM 759 C LYS A 47 15.264 -1.399 1.675 1.00 0.00 C ATOM 760 O LYS A 47 16.459 -1.325 1.960 1.00 0.00 O ATOM 761 CB LYS A 47 13.928 -2.436 3.527 1.00 0.00 C ATOM 762 CG LYS A 47 13.588 -3.639 2.661 1.00 0.00 C ATOM 763 CD LYS A 47 13.787 -4.942 3.417 1.00 0.00 C ATOM 764 CE LYS A 47 15.261 -5.252 3.617 1.00 0.00 C ATOM 765 NZ LYS A 47 15.520 -5.889 4.939 1.00 0.00 N ATOM 0 H LYS A 47 12.225 -1.380 2.037 1.00 0.00 H new ATOM 0 HA LYS A 47 14.548 -0.386 3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 47 14.809 -2.668 4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 47 13.108 -2.258 4.223 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.554 -3.566 2.325 1.00 0.00 H new ATOM 0 HG3 LYS A 47 14.214 -3.635 1.769 1.00 0.00 H new ATOM 0 HD2 LYS A 47 13.293 -4.880 4.386 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.314 -5.757 2.869 1.00 0.00 H new ATOM 0 HE2 LYS A 47 15.604 -5.914 2.822 1.00 0.00 H new ATOM 0 HE3 LYS A 47 15.840 -4.332 3.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 16.537 -6.085 5.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 15.216 -5.247 5.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 14.988 -6.780 5.005 1.00 0.00 H new ATOM 779 N GLU A 48 14.826 -1.689 0.453 1.00 0.00 N ATOM 780 CA GLU A 48 15.745 -1.942 -0.647 1.00 0.00 C ATOM 781 C GLU A 48 16.627 -0.722 -0.909 1.00 0.00 C ATOM 782 O GLU A 48 16.143 0.311 -1.373 1.00 0.00 O ATOM 783 CB GLU A 48 14.965 -2.299 -1.914 1.00 0.00 C ATOM 784 CG GLU A 48 14.653 -3.781 -2.039 1.00 0.00 C ATOM 785 CD GLU A 48 13.501 -4.056 -2.986 1.00 0.00 C ATOM 786 OE1 GLU A 48 13.739 -4.099 -4.212 1.00 0.00 O ATOM 787 OE2 GLU A 48 12.363 -4.230 -2.503 1.00 0.00 O ATOM 0 H GLU A 48 13.840 -1.754 0.202 1.00 0.00 H new ATOM 0 HA GLU A 48 16.385 -2.780 -0.370 1.00 0.00 H new ATOM 0 HB2 GLU A 48 14.031 -1.737 -1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 48 15.539 -1.982 -2.785 1.00 0.00 H new ATOM 0 HG2 GLU A 48 15.541 -4.307 -2.390 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.413 -4.182 -1.054 1.00 0.00 H new ATOM 794 N PRO A 49 17.938 -0.819 -0.616 1.00 0.00 N ATOM 795 CA PRO A 49 18.875 0.289 -0.827 1.00 0.00 C ATOM 796 C PRO A 49 18.752 0.896 -2.220 1.00 0.00 C ATOM 797 O PRO A 49 18.730 2.115 -2.378 1.00 0.00 O ATOM 798 CB PRO A 49 20.244 -0.366 -0.646 1.00 0.00 C ATOM 799 CG PRO A 49 19.992 -1.517 0.265 1.00 0.00 C ATOM 800 CD PRO A 49 18.608 -2.011 -0.060 1.00 0.00 C ATOM 0 HA PRO A 49 18.690 1.116 -0.142 1.00 0.00 H new ATOM 0 HB2 PRO A 49 20.654 -0.698 -1.600 1.00 0.00 H new ATOM 0 HB3 PRO A 49 20.963 0.331 -0.215 1.00 0.00 H new ATOM 0 HG2 PRO A 49 20.732 -2.303 0.114 1.00 0.00 H new ATOM 0 HG3 PRO A 49 20.061 -1.210 1.309 1.00 0.00 H new ATOM 0 HD2 PRO A 49 18.633 -2.830 -0.779 1.00 0.00 H new ATOM 0 HD3 PRO A 49 18.096 -2.382 0.828 1.00 0.00 H new ATOM 808 N LYS A 50 18.668 0.034 -3.229 1.00 0.00 N ATOM 809 CA LYS A 50 18.542 0.485 -4.609 1.00 0.00 C ATOM 810 C LYS A 50 17.210 1.196 -4.826 1.00 0.00 C ATOM 811 O LYS A 50 17.095 2.073 -5.682 1.00 0.00 O ATOM 812 CB LYS A 50 18.664 -0.700 -5.569 1.00 0.00 C ATOM 813 CG LYS A 50 20.101 -1.103 -5.857 1.00 0.00 C ATOM 814 CD LYS A 50 20.687 -1.925 -4.721 1.00 0.00 C ATOM 815 CE LYS A 50 20.084 -3.319 -4.673 1.00 0.00 C ATOM 816 NZ LYS A 50 19.903 -3.798 -3.275 1.00 0.00 N ATOM 0 H LYS A 50 18.685 -0.980 -3.116 1.00 0.00 H new ATOM 0 HA LYS A 50 19.348 1.190 -4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 50 18.133 -1.554 -5.148 1.00 0.00 H new ATOM 0 HB3 LYS A 50 18.171 -0.449 -6.508 1.00 0.00 H new ATOM 0 HG2 LYS A 50 20.140 -1.679 -6.782 1.00 0.00 H new ATOM 0 HG3 LYS A 50 20.707 -0.210 -6.011 1.00 0.00 H new ATOM 0 HD2 LYS A 50 21.768 -1.999 -4.844 1.00 0.00 H new ATOM 0 HD3 LYS A 50 20.508 -1.417 -3.773 1.00 0.00 H new ATOM 0 HE2 LYS A 50 19.121 -3.316 -5.183 1.00 0.00 H new ATOM 0 HE3 LYS A 50 20.729 -4.012 -5.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 19.718 -4.821 -3.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 20.766 -3.605 -2.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.098 -3.303 -2.840 1.00 0.00 H new ATOM 830 N MET A 51 16.205 0.810 -4.046 1.00 0.00 N ATOM 831 CA MET A 51 14.880 1.410 -4.151 1.00 0.00 C ATOM 832 C MET A 51 14.839 2.768 -3.456 1.00 0.00 C ATOM 833 O MET A 51 14.239 3.716 -3.961 1.00 0.00 O ATOM 834 CB MET A 51 13.827 0.483 -3.541 1.00 0.00 C ATOM 835 CG MET A 51 13.575 -0.778 -4.352 1.00 0.00 C ATOM 836 SD MET A 51 13.153 -0.436 -6.074 1.00 0.00 S ATOM 837 CE MET A 51 12.082 0.988 -5.893 1.00 0.00 C ATOM 0 H MET A 51 16.283 0.084 -3.334 1.00 0.00 H new ATOM 0 HA MET A 51 14.659 1.556 -5.208 1.00 0.00 H new ATOM 0 HB2 MET A 51 14.143 0.201 -2.537 1.00 0.00 H new ATOM 0 HB3 MET A 51 12.890 1.031 -3.438 1.00 0.00 H new ATOM 0 HG2 MET A 51 14.464 -1.408 -4.320 1.00 0.00 H new ATOM 0 HG3 MET A 51 12.766 -1.344 -3.891 1.00 0.00 H new ATOM 0 HE1 MET A 51 11.433 1.068 -6.765 1.00 0.00 H new ATOM 0 HE2 MET A 51 11.473 0.874 -4.996 1.00 0.00 H new ATOM 0 HE3 MET A 51 12.688 1.890 -5.808 1.00 0.00 H new ATOM 847 N ALA A 52 15.478 2.852 -2.293 1.00 0.00 N ATOM 848 CA ALA A 52 15.513 4.093 -1.528 1.00 0.00 C ATOM 849 C ALA A 52 16.099 5.234 -2.352 1.00 0.00 C ATOM 850 O ALA A 52 15.749 6.398 -2.157 1.00 0.00 O ATOM 851 CB ALA A 52 16.311 3.900 -0.247 1.00 0.00 C ATOM 0 H ALA A 52 15.978 2.076 -1.860 1.00 0.00 H new ATOM 0 HA ALA A 52 14.488 4.359 -1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 52 16.329 4.834 0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.845 3.122 0.358 1.00 0.00 H new ATOM 0 HB3 ALA A 52 17.331 3.606 -0.495 1.00 0.00 H new ATOM 857 N ALA A 53 16.993 4.893 -3.273 1.00 0.00 N ATOM 858 CA ALA A 53 17.627 5.890 -4.128 1.00 0.00 C ATOM 859 C ALA A 53 16.718 6.293 -5.285 1.00 0.00 C ATOM 860 O ALA A 53 16.915 7.338 -5.904 1.00 0.00 O ATOM 861 CB ALA A 53 18.952 5.362 -4.657 1.00 0.00 C ATOM 0 H ALA A 53 17.295 3.934 -3.447 1.00 0.00 H new ATOM 0 HA ALA A 53 17.812 6.779 -3.525 1.00 0.00 H new ATOM 0 HB1 ALA A 53 19.416 6.115 -5.294 1.00 0.00 H new ATOM 0 HB2 ALA A 53 19.614 5.137 -3.821 1.00 0.00 H new ATOM 0 HB3 ALA A 53 18.777 4.455 -5.236 1.00 0.00 H new ATOM 867 N SER A 54 15.723 5.459 -5.577 1.00 0.00 N ATOM 868 CA SER A 54 14.790 5.735 -6.663 1.00 0.00 C ATOM 869 C SER A 54 13.496 6.348 -6.136 1.00 0.00 C ATOM 870 O SER A 54 12.918 7.233 -6.766 1.00 0.00 O ATOM 871 CB SER A 54 14.481 4.451 -7.435 1.00 0.00 C ATOM 872 OG SER A 54 15.655 3.906 -8.012 1.00 0.00 O ATOM 0 H SER A 54 15.543 4.588 -5.077 1.00 0.00 H new ATOM 0 HA SER A 54 15.260 6.454 -7.334 1.00 0.00 H new ATOM 0 HB2 SER A 54 14.029 3.720 -6.765 1.00 0.00 H new ATOM 0 HB3 SER A 54 13.751 4.660 -8.217 1.00 0.00 H new ATOM 0 HG SER A 54 16.110 3.339 -7.355 1.00 0.00 H new ATOM 878 N LEU A 55 13.046 5.871 -4.981 1.00 0.00 N ATOM 879 CA LEU A 55 11.817 6.373 -4.374 1.00 0.00 C ATOM 880 C LEU A 55 12.059 7.703 -3.668 1.00 0.00 C ATOM 881 O LEU A 55 11.160 8.541 -3.577 1.00 0.00 O ATOM 882 CB LEU A 55 11.259 5.351 -3.383 1.00 0.00 C ATOM 883 CG LEU A 55 11.271 3.901 -3.870 1.00 0.00 C ATOM 884 CD1 LEU A 55 11.503 2.951 -2.705 1.00 0.00 C ATOM 885 CD2 LEU A 55 9.969 3.568 -4.581 1.00 0.00 C ATOM 0 H LEU A 55 13.512 5.138 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 55 11.089 6.533 -5.170 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.834 5.412 -2.459 1.00 0.00 H new ATOM 0 HB3 LEU A 55 10.233 5.627 -3.139 1.00 0.00 H new ATOM 0 HG LEU A 55 12.090 3.781 -4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 55 11.509 1.924 -3.069 1.00 0.00 H new ATOM 0 HD12 LEU A 55 12.462 3.176 -2.238 1.00 0.00 H new ATOM 0 HD13 LEU A 55 10.705 3.072 -1.972 1.00 0.00 H new ATOM 0 HD21 LEU A 55 9.995 2.533 -4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.134 3.704 -3.894 1.00 0.00 H new ATOM 0 HD23 LEU A 55 9.844 4.229 -5.439 1.00 0.00 H new ATOM 897 N LEU A 56 13.275 7.890 -3.166 1.00 0.00 N ATOM 898 CA LEU A 56 13.631 9.118 -2.463 1.00 0.00 C ATOM 899 C LEU A 56 14.200 10.160 -3.424 1.00 0.00 C ATOM 900 O LEU A 56 14.188 11.355 -3.132 1.00 0.00 O ATOM 901 CB LEU A 56 14.645 8.819 -1.358 1.00 0.00 C ATOM 902 CG LEU A 56 14.609 9.777 -0.166 1.00 0.00 C ATOM 903 CD1 LEU A 56 15.105 11.156 -0.574 1.00 0.00 C ATOM 904 CD2 LEU A 56 13.203 9.861 0.407 1.00 0.00 C ATOM 0 H LEU A 56 14.030 7.208 -3.233 1.00 0.00 H new ATOM 0 HA LEU A 56 12.723 9.525 -2.018 1.00 0.00 H new ATOM 0 HB2 LEU A 56 14.475 7.806 -0.995 1.00 0.00 H new ATOM 0 HB3 LEU A 56 15.646 8.839 -1.790 1.00 0.00 H new ATOM 0 HG LEU A 56 15.272 9.390 0.608 1.00 0.00 H new ATOM 0 HD11 LEU A 56 15.072 11.824 0.287 1.00 0.00 H new ATOM 0 HD12 LEU A 56 16.130 11.081 -0.937 1.00 0.00 H new ATOM 0 HD13 LEU A 56 14.468 11.552 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 56 13.196 10.547 1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 56 12.519 10.224 -0.360 1.00 0.00 H new ATOM 0 HD23 LEU A 56 12.885 8.872 0.738 1.00 0.00 H new ATOM 916 N ASN A 57 14.698 9.702 -4.570 1.00 0.00 N ATOM 917 CA ASN A 57 15.272 10.601 -5.565 1.00 0.00 C ATOM 918 C ASN A 57 14.274 11.691 -5.961 1.00 0.00 C ATOM 919 O ASN A 57 13.169 11.393 -6.412 1.00 0.00 O ATOM 920 CB ASN A 57 15.700 9.810 -6.804 1.00 0.00 C ATOM 921 CG ASN A 57 17.202 9.839 -7.018 1.00 0.00 C ATOM 922 OD1 ASN A 57 17.678 9.974 -8.146 1.00 0.00 O ATOM 923 ND2 ASN A 57 17.957 9.712 -5.933 1.00 0.00 N ATOM 0 H ASN A 57 14.715 8.716 -4.831 1.00 0.00 H new ATOM 0 HA ASN A 57 16.146 11.081 -5.125 1.00 0.00 H new ATOM 0 HB2 ASN A 57 15.370 8.776 -6.704 1.00 0.00 H new ATOM 0 HB3 ASN A 57 15.202 10.220 -7.683 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.974 9.724 -6.015 1.00 0.00 H new ATOM 0 HD22 ASN A 57 17.520 9.602 -5.018 1.00 0.00 H new ATOM 930 N PRO A 58 14.653 12.977 -5.806 1.00 0.00 N ATOM 931 CA PRO A 58 13.779 14.103 -6.159 1.00 0.00 C ATOM 932 C PRO A 58 13.425 14.124 -7.645 1.00 0.00 C ATOM 933 O PRO A 58 12.558 14.885 -8.076 1.00 0.00 O ATOM 934 CB PRO A 58 14.610 15.341 -5.796 1.00 0.00 C ATOM 935 CG PRO A 58 15.665 14.847 -4.866 1.00 0.00 C ATOM 936 CD PRO A 58 15.949 13.434 -5.280 1.00 0.00 C ATOM 0 HA PRO A 58 12.824 14.046 -5.636 1.00 0.00 H new ATOM 0 HB2 PRO A 58 15.050 15.794 -6.685 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.993 16.104 -5.321 1.00 0.00 H new ATOM 0 HG2 PRO A 58 16.563 15.461 -4.932 1.00 0.00 H new ATOM 0 HG3 PRO A 58 15.325 14.890 -3.831 1.00 0.00 H new ATOM 0 HD2 PRO A 58 16.732 13.385 -6.037 1.00 0.00 H new ATOM 0 HD3 PRO A 58 16.280 12.826 -4.438 1.00 0.00 H new ATOM 944 N TYR A 59 14.107 13.291 -8.423 1.00 0.00 N ATOM 945 CA TYR A 59 13.877 13.211 -9.861 1.00 0.00 C ATOM 946 C TYR A 59 12.624 12.398 -10.186 1.00 0.00 C ATOM 947 O TYR A 59 12.238 12.281 -11.349 1.00 0.00 O ATOM 948 CB TYR A 59 15.097 12.591 -10.544 1.00 0.00 C ATOM 949 CG TYR A 59 16.406 13.216 -10.114 1.00 0.00 C ATOM 950 CD1 TYR A 59 17.023 12.835 -8.928 1.00 0.00 C ATOM 951 CD2 TYR A 59 17.018 14.192 -10.888 1.00 0.00 C ATOM 952 CE1 TYR A 59 18.212 13.411 -8.527 1.00 0.00 C ATOM 953 CE2 TYR A 59 18.211 14.771 -10.494 1.00 0.00 C ATOM 954 CZ TYR A 59 18.802 14.377 -9.313 1.00 0.00 C ATOM 955 OH TYR A 59 19.988 14.952 -8.916 1.00 0.00 O ATOM 0 H TYR A 59 14.829 12.657 -8.079 1.00 0.00 H new ATOM 0 HA TYR A 59 13.721 14.223 -10.236 1.00 0.00 H new ATOM 0 HB2 TYR A 59 15.123 11.523 -10.326 1.00 0.00 H new ATOM 0 HB3 TYR A 59 14.991 12.693 -11.624 1.00 0.00 H new ATOM 0 HD1 TYR A 59 16.565 12.076 -8.311 1.00 0.00 H new ATOM 0 HD2 TYR A 59 16.556 14.504 -11.813 1.00 0.00 H new ATOM 0 HE1 TYR A 59 18.678 13.106 -7.602 1.00 0.00 H new ATOM 0 HE2 TYR A 59 18.677 15.527 -11.108 1.00 0.00 H new ATOM 0 HH TYR A 59 20.270 15.613 -9.582 1.00 0.00 H new ATOM 965 N VAL A 60 11.989 11.839 -9.158 1.00 0.00 N ATOM 966 CA VAL A 60 10.782 11.044 -9.350 1.00 0.00 C ATOM 967 C VAL A 60 9.620 11.606 -8.537 1.00 0.00 C ATOM 968 O VAL A 60 9.231 11.039 -7.515 1.00 0.00 O ATOM 969 CB VAL A 60 11.009 9.572 -8.954 1.00 0.00 C ATOM 970 CG1 VAL A 60 11.941 8.890 -9.945 1.00 0.00 C ATOM 971 CG2 VAL A 60 11.562 9.478 -7.541 1.00 0.00 C ATOM 0 H VAL A 60 12.290 11.922 -8.187 1.00 0.00 H new ATOM 0 HA VAL A 60 10.536 11.092 -10.411 1.00 0.00 H new ATOM 0 HB VAL A 60 10.049 9.056 -8.979 1.00 0.00 H new ATOM 0 HG11 VAL A 60 12.090 7.851 -9.649 1.00 0.00 H new ATOM 0 HG12 VAL A 60 11.500 8.924 -10.941 1.00 0.00 H new ATOM 0 HG13 VAL A 60 12.901 9.405 -9.955 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.716 8.431 -7.279 1.00 0.00 H new ATOM 0 HG22 VAL A 60 12.512 10.009 -7.486 1.00 0.00 H new ATOM 0 HG23 VAL A 60 10.855 9.926 -6.843 1.00 0.00 H new ATOM 981 N LYS A 61 9.069 12.725 -8.998 1.00 0.00 N ATOM 982 CA LYS A 61 7.951 13.367 -8.314 1.00 0.00 C ATOM 983 C LYS A 61 6.807 12.381 -8.088 1.00 0.00 C ATOM 984 O LYS A 61 6.875 11.229 -8.514 1.00 0.00 O ATOM 985 CB LYS A 61 7.453 14.570 -9.118 1.00 0.00 C ATOM 986 CG LYS A 61 7.338 14.301 -10.609 1.00 0.00 C ATOM 987 CD LYS A 61 6.538 15.387 -11.309 1.00 0.00 C ATOM 988 CE LYS A 61 5.998 14.907 -12.646 1.00 0.00 C ATOM 989 NZ LYS A 61 5.067 15.895 -13.259 1.00 0.00 N ATOM 0 H LYS A 61 9.379 13.206 -9.842 1.00 0.00 H new ATOM 0 HA LYS A 61 8.305 13.711 -7.342 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.478 14.873 -8.736 1.00 0.00 H new ATOM 0 HB3 LYS A 61 8.132 15.408 -8.960 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.334 14.241 -11.047 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.861 13.334 -10.770 1.00 0.00 H new ATOM 0 HD2 LYS A 61 5.710 15.699 -10.672 1.00 0.00 H new ATOM 0 HD3 LYS A 61 7.169 16.263 -11.463 1.00 0.00 H new ATOM 0 HE2 LYS A 61 6.829 14.721 -13.327 1.00 0.00 H new ATOM 0 HE3 LYS A 61 5.480 13.958 -12.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.722 15.529 -14.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 4.261 16.054 -12.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 5.567 16.793 -13.415 1.00 0.00 H new ATOM 1003 N ARG A 62 5.762 12.842 -7.411 1.00 0.00 N ATOM 1004 CA ARG A 62 4.604 12.003 -7.122 1.00 0.00 C ATOM 1005 C ARG A 62 3.984 11.454 -8.403 1.00 0.00 C ATOM 1006 O ARG A 62 3.593 10.288 -8.464 1.00 0.00 O ATOM 1007 CB ARG A 62 3.558 12.796 -6.337 1.00 0.00 C ATOM 1008 CG ARG A 62 3.786 12.783 -4.834 1.00 0.00 C ATOM 1009 CD ARG A 62 2.622 13.414 -4.088 1.00 0.00 C ATOM 1010 NE ARG A 62 2.893 14.802 -3.722 1.00 0.00 N ATOM 1011 CZ ARG A 62 3.659 15.162 -2.695 1.00 0.00 C ATOM 1012 NH1 ARG A 62 4.232 14.240 -1.930 1.00 0.00 N ATOM 1013 NH2 ARG A 62 3.855 16.447 -2.433 1.00 0.00 N ATOM 0 H ARG A 62 5.692 13.794 -7.051 1.00 0.00 H new ATOM 0 HA ARG A 62 4.945 11.161 -6.520 1.00 0.00 H new ATOM 0 HB2 ARG A 62 3.559 13.828 -6.687 1.00 0.00 H new ATOM 0 HB3 ARG A 62 2.570 12.388 -6.550 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.923 11.756 -4.495 1.00 0.00 H new ATOM 0 HG3 ARG A 62 4.704 13.321 -4.600 1.00 0.00 H new ATOM 0 HD2 ARG A 62 1.728 13.371 -4.709 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.413 12.836 -3.188 1.00 0.00 H new ATOM 0 HE ARG A 62 2.470 15.539 -4.287 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.086 13.250 -2.128 1.00 0.00 H new ATOM 0 HH12 ARG A 62 4.818 14.522 -1.144 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.419 17.159 -3.019 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.442 16.723 -1.646 1.00 0.00 H new ATOM 1027 N SER A 63 3.893 12.300 -9.424 1.00 0.00 N ATOM 1028 CA SER A 63 3.313 11.893 -10.701 1.00 0.00 C ATOM 1029 C SER A 63 4.204 10.878 -11.409 1.00 0.00 C ATOM 1030 O SER A 63 3.719 10.028 -12.155 1.00 0.00 O ATOM 1031 CB SER A 63 3.092 13.112 -11.598 1.00 0.00 C ATOM 1032 OG SER A 63 1.796 13.654 -11.412 1.00 0.00 O ATOM 0 H SER A 63 4.212 13.268 -9.394 1.00 0.00 H new ATOM 0 HA SER A 63 2.351 11.422 -10.498 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.842 13.871 -11.377 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.224 12.828 -12.642 1.00 0.00 H new ATOM 0 HG SER A 63 1.680 14.433 -11.995 1.00 0.00 H new ATOM 1038 N VAL A 64 5.506 10.963 -11.165 1.00 0.00 N ATOM 1039 CA VAL A 64 6.452 10.040 -11.776 1.00 0.00 C ATOM 1040 C VAL A 64 6.580 8.777 -10.935 1.00 0.00 C ATOM 1041 O VAL A 64 6.818 7.689 -11.459 1.00 0.00 O ATOM 1042 CB VAL A 64 7.843 10.681 -11.949 1.00 0.00 C ATOM 1043 CG1 VAL A 64 8.778 9.744 -12.699 1.00 0.00 C ATOM 1044 CG2 VAL A 64 7.730 12.018 -12.667 1.00 0.00 C ATOM 0 H VAL A 64 5.929 11.659 -10.551 1.00 0.00 H new ATOM 0 HA VAL A 64 6.065 9.787 -12.763 1.00 0.00 H new ATOM 0 HB VAL A 64 8.263 10.859 -10.959 1.00 0.00 H new ATOM 0 HG11 VAL A 64 9.754 10.216 -12.810 1.00 0.00 H new ATOM 0 HG12 VAL A 64 8.886 8.814 -12.141 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.365 9.529 -13.684 1.00 0.00 H new ATOM 0 HG21 VAL A 64 8.722 12.455 -12.780 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.286 11.866 -13.651 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.101 12.691 -12.085 1.00 0.00 H new ATOM 1054 N LYS A 65 6.405 8.930 -9.628 1.00 0.00 N ATOM 1055 CA LYS A 65 6.486 7.804 -8.710 1.00 0.00 C ATOM 1056 C LYS A 65 5.173 7.027 -8.699 1.00 0.00 C ATOM 1057 O LYS A 65 5.148 5.838 -8.381 1.00 0.00 O ATOM 1058 CB LYS A 65 6.822 8.290 -7.297 1.00 0.00 C ATOM 1059 CG LYS A 65 7.968 7.532 -6.648 1.00 0.00 C ATOM 1060 CD LYS A 65 7.636 6.057 -6.474 1.00 0.00 C ATOM 1061 CE LYS A 65 8.429 5.188 -7.436 1.00 0.00 C ATOM 1062 NZ LYS A 65 7.846 3.823 -7.563 1.00 0.00 N ATOM 0 H LYS A 65 6.206 9.825 -9.181 1.00 0.00 H new ATOM 0 HA LYS A 65 7.281 7.140 -9.051 1.00 0.00 H new ATOM 0 HB2 LYS A 65 7.075 9.349 -7.337 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.935 8.198 -6.670 1.00 0.00 H new ATOM 0 HG2 LYS A 65 8.865 7.634 -7.259 1.00 0.00 H new ATOM 0 HG3 LYS A 65 8.192 7.972 -5.676 1.00 0.00 H new ATOM 0 HD2 LYS A 65 7.849 5.754 -5.449 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.570 5.902 -6.637 1.00 0.00 H new ATOM 0 HE2 LYS A 65 8.456 5.664 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 65 9.460 5.111 -7.090 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.426 3.257 -8.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.828 3.365 -6.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.877 3.893 -7.934 1.00 0.00 H new ATOM 1076 N VAL A 66 4.082 7.705 -9.051 1.00 0.00 N ATOM 1077 CA VAL A 66 2.770 7.073 -9.083 1.00 0.00 C ATOM 1078 C VAL A 66 2.595 6.240 -10.350 1.00 0.00 C ATOM 1079 O VAL A 66 1.939 5.198 -10.333 1.00 0.00 O ATOM 1080 CB VAL A 66 1.635 8.117 -8.993 1.00 0.00 C ATOM 1081 CG1 VAL A 66 1.522 8.915 -10.284 1.00 0.00 C ATOM 1082 CG2 VAL A 66 0.314 7.441 -8.657 1.00 0.00 C ATOM 0 H VAL A 66 4.083 8.690 -9.317 1.00 0.00 H new ATOM 0 HA VAL A 66 2.710 6.419 -8.213 1.00 0.00 H new ATOM 0 HB VAL A 66 1.878 8.814 -8.191 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.715 9.642 -10.193 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.461 9.436 -10.473 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.309 8.239 -11.112 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -0.474 8.192 -8.598 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.068 6.717 -9.434 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.401 6.929 -7.698 1.00 0.00 H new ATOM 1092 N LYS A 67 3.188 6.704 -11.447 1.00 0.00 N ATOM 1093 CA LYS A 67 3.097 5.996 -12.717 1.00 0.00 C ATOM 1094 C LYS A 67 4.022 4.784 -12.724 1.00 0.00 C ATOM 1095 O LYS A 67 3.684 3.735 -13.272 1.00 0.00 O ATOM 1096 CB LYS A 67 3.449 6.932 -13.875 1.00 0.00 C ATOM 1097 CG LYS A 67 2.538 6.775 -15.082 1.00 0.00 C ATOM 1098 CD LYS A 67 1.113 7.197 -14.763 1.00 0.00 C ATOM 1099 CE LYS A 67 0.221 5.994 -14.501 1.00 0.00 C ATOM 1100 NZ LYS A 67 -1.160 6.203 -15.015 1.00 0.00 N ATOM 0 H LYS A 67 3.735 7.565 -11.480 1.00 0.00 H new ATOM 0 HA LYS A 67 2.071 5.650 -12.843 1.00 0.00 H new ATOM 0 HB2 LYS A 67 3.401 7.963 -13.525 1.00 0.00 H new ATOM 0 HB3 LYS A 67 4.479 6.747 -14.181 1.00 0.00 H new ATOM 0 HG2 LYS A 67 2.920 7.375 -15.908 1.00 0.00 H new ATOM 0 HG3 LYS A 67 2.546 5.736 -15.412 1.00 0.00 H new ATOM 0 HD2 LYS A 67 1.112 7.849 -13.889 1.00 0.00 H new ATOM 0 HD3 LYS A 67 0.710 7.776 -15.593 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.654 5.112 -14.973 1.00 0.00 H new ATOM 0 HE3 LYS A 67 0.183 5.797 -13.430 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -1.736 5.360 -14.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -1.583 7.030 -14.547 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.127 6.366 -16.042 1.00 0.00 H new ATOM 1114 N SER A 68 5.186 4.935 -12.104 1.00 0.00 N ATOM 1115 CA SER A 68 6.157 3.851 -12.032 1.00 0.00 C ATOM 1116 C SER A 68 5.677 2.760 -11.080 1.00 0.00 C ATOM 1117 O SER A 68 6.050 1.595 -11.217 1.00 0.00 O ATOM 1118 CB SER A 68 7.515 4.385 -11.572 1.00 0.00 C ATOM 1119 OG SER A 68 7.527 4.615 -10.174 1.00 0.00 O ATOM 0 H SER A 68 5.480 5.797 -11.644 1.00 0.00 H new ATOM 0 HA SER A 68 6.263 3.421 -13.028 1.00 0.00 H new ATOM 0 HB2 SER A 68 8.297 3.672 -11.833 1.00 0.00 H new ATOM 0 HB3 SER A 68 7.741 5.312 -12.098 1.00 0.00 H new ATOM 0 HG SER A 68 6.662 4.981 -9.895 1.00 0.00 H new ATOM 1125 N LEU A 69 4.847 3.145 -10.114 1.00 0.00 N ATOM 1126 CA LEU A 69 4.317 2.198 -9.141 1.00 0.00 C ATOM 1127 C LEU A 69 3.306 1.258 -9.788 1.00 0.00 C ATOM 1128 O LEU A 69 3.209 0.088 -9.420 1.00 0.00 O ATOM 1129 CB LEU A 69 3.663 2.945 -7.976 1.00 0.00 C ATOM 1130 CG LEU A 69 3.901 2.328 -6.596 1.00 0.00 C ATOM 1131 CD1 LEU A 69 5.376 2.386 -6.233 1.00 0.00 C ATOM 1132 CD2 LEU A 69 3.062 3.038 -5.544 1.00 0.00 C ATOM 0 H LEU A 69 4.528 4.105 -9.985 1.00 0.00 H new ATOM 0 HA LEU A 69 5.148 1.602 -8.763 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.034 3.970 -7.968 1.00 0.00 H new ATOM 0 HB3 LEU A 69 2.589 2.996 -8.154 1.00 0.00 H new ATOM 0 HG LEU A 69 3.598 1.282 -6.629 1.00 0.00 H new ATOM 0 HD11 LEU A 69 5.526 1.943 -5.249 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.955 1.832 -6.972 1.00 0.00 H new ATOM 0 HD13 LEU A 69 5.706 3.425 -6.217 1.00 0.00 H new ATOM 0 HD21 LEU A 69 3.243 2.587 -4.569 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.335 4.093 -5.512 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.006 2.944 -5.797 1.00 0.00 H new ATOM 1144 N SER A 70 2.552 1.777 -10.751 1.00 0.00 N ATOM 1145 CA SER A 70 1.544 0.984 -11.445 1.00 0.00 C ATOM 1146 C SER A 70 2.183 0.035 -12.452 1.00 0.00 C ATOM 1147 O SER A 70 1.643 -1.032 -12.739 1.00 0.00 O ATOM 1148 CB SER A 70 0.539 1.897 -12.150 1.00 0.00 C ATOM 1149 OG SER A 70 -0.358 2.481 -11.223 1.00 0.00 O ATOM 0 H SER A 70 2.620 2.744 -11.069 1.00 0.00 H new ATOM 0 HA SER A 70 1.020 0.386 -10.699 1.00 0.00 H new ATOM 0 HB2 SER A 70 1.071 2.681 -12.689 1.00 0.00 H new ATOM 0 HB3 SER A 70 -0.020 1.324 -12.890 1.00 0.00 H new ATOM 0 HG SER A 70 -0.989 3.061 -11.699 1.00 0.00 H new ATOM 1155 N ASP A 71 3.339 0.420 -12.977 1.00 0.00 N ATOM 1156 CA ASP A 71 4.043 -0.418 -13.938 1.00 0.00 C ATOM 1157 C ASP A 71 4.984 -1.359 -13.209 1.00 0.00 C ATOM 1158 O ASP A 71 5.165 -2.509 -13.610 1.00 0.00 O ATOM 1159 CB ASP A 71 4.819 0.441 -14.939 1.00 0.00 C ATOM 1160 CG ASP A 71 5.394 -0.377 -16.079 1.00 0.00 C ATOM 1161 OD1 ASP A 71 6.035 -1.412 -15.802 1.00 0.00 O ATOM 1162 OD2 ASP A 71 5.204 0.019 -17.249 1.00 0.00 O ATOM 0 H ASP A 71 3.806 1.300 -12.756 1.00 0.00 H new ATOM 0 HA ASP A 71 3.310 -1.006 -14.491 1.00 0.00 H new ATOM 0 HB2 ASP A 71 4.159 1.209 -15.343 1.00 0.00 H new ATOM 0 HB3 ASP A 71 5.628 0.956 -14.421 1.00 0.00 H new ATOM 1167 N MET A 72 5.561 -0.872 -12.119 1.00 0.00 N ATOM 1168 CA MET A 72 6.458 -1.684 -11.318 1.00 0.00 C ATOM 1169 C MET A 72 5.659 -2.697 -10.515 1.00 0.00 C ATOM 1170 O MET A 72 6.183 -3.740 -10.122 1.00 0.00 O ATOM 1171 CB MET A 72 7.311 -0.807 -10.394 1.00 0.00 C ATOM 1172 CG MET A 72 6.577 -0.318 -9.155 1.00 0.00 C ATOM 1173 SD MET A 72 6.893 -1.349 -7.709 1.00 0.00 S ATOM 1174 CE MET A 72 5.431 -1.017 -6.730 1.00 0.00 C ATOM 0 H MET A 72 5.423 0.077 -11.773 1.00 0.00 H new ATOM 0 HA MET A 72 7.134 -2.219 -11.985 1.00 0.00 H new ATOM 0 HB2 MET A 72 8.190 -1.372 -10.084 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.668 0.056 -10.956 1.00 0.00 H new ATOM 0 HG2 MET A 72 6.879 0.707 -8.939 1.00 0.00 H new ATOM 0 HG3 MET A 72 5.506 -0.299 -9.356 1.00 0.00 H new ATOM 0 HE1 MET A 72 5.725 -0.603 -5.765 1.00 0.00 H new ATOM 0 HE2 MET A 72 4.797 -0.301 -7.254 1.00 0.00 H new ATOM 0 HE3 MET A 72 4.879 -1.944 -6.574 1.00 0.00 H new ATOM 1184 N THR A 73 4.377 -2.402 -10.285 1.00 0.00 N ATOM 1185 CA THR A 73 3.534 -3.322 -9.546 1.00 0.00 C ATOM 1186 C THR A 73 3.400 -4.625 -10.308 1.00 0.00 C ATOM 1187 O THR A 73 3.284 -5.694 -9.708 1.00 0.00 O ATOM 1188 CB THR A 73 2.150 -2.741 -9.282 1.00 0.00 C ATOM 1189 OG1 THR A 73 1.421 -3.624 -8.463 1.00 0.00 O ATOM 1190 CG2 THR A 73 1.325 -2.521 -10.522 1.00 0.00 C ATOM 0 H THR A 73 3.914 -1.548 -10.596 1.00 0.00 H new ATOM 0 HA THR A 73 4.011 -3.501 -8.582 1.00 0.00 H new ATOM 0 HB THR A 73 2.327 -1.772 -8.816 1.00 0.00 H new ATOM 0 HG1 THR A 73 1.918 -3.787 -7.634 1.00 0.00 H new ATOM 0 HG21 THR A 73 0.356 -2.106 -10.245 1.00 0.00 H new ATOM 0 HG22 THR A 73 1.842 -1.826 -11.184 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.179 -3.471 -11.035 1.00 0.00 H new ATOM 1198 N ALA A 74 3.439 -4.539 -11.638 1.00 0.00 N ATOM 1199 CA ALA A 74 3.344 -5.732 -12.463 1.00 0.00 C ATOM 1200 C ALA A 74 4.330 -6.784 -11.968 1.00 0.00 C ATOM 1201 O ALA A 74 4.103 -7.985 -12.113 1.00 0.00 O ATOM 1202 CB ALA A 74 3.606 -5.394 -13.924 1.00 0.00 C ATOM 0 H ALA A 74 3.534 -3.666 -12.157 1.00 0.00 H new ATOM 0 HA ALA A 74 2.334 -6.135 -12.386 1.00 0.00 H new ATOM 0 HB1 ALA A 74 3.531 -6.299 -14.526 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.869 -4.668 -14.267 1.00 0.00 H new ATOM 0 HB3 ALA A 74 4.606 -4.973 -14.026 1.00 0.00 H new ATOM 1208 N LYS A 75 5.423 -6.315 -11.365 1.00 0.00 N ATOM 1209 CA LYS A 75 6.438 -7.207 -10.826 1.00 0.00 C ATOM 1210 C LYS A 75 6.319 -7.320 -9.307 1.00 0.00 C ATOM 1211 O LYS A 75 6.815 -8.275 -8.711 1.00 0.00 O ATOM 1212 CB LYS A 75 7.836 -6.715 -11.208 1.00 0.00 C ATOM 1213 CG LYS A 75 8.347 -7.292 -12.519 1.00 0.00 C ATOM 1214 CD LYS A 75 9.736 -6.775 -12.852 1.00 0.00 C ATOM 1215 CE LYS A 75 10.054 -6.941 -14.329 1.00 0.00 C ATOM 1216 NZ LYS A 75 10.046 -8.373 -14.740 1.00 0.00 N ATOM 0 H LYS A 75 5.624 -5.323 -11.240 1.00 0.00 H new ATOM 0 HA LYS A 75 6.280 -8.196 -11.256 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.822 -5.627 -11.280 1.00 0.00 H new ATOM 0 HB3 LYS A 75 8.533 -6.973 -10.411 1.00 0.00 H new ATOM 0 HG2 LYS A 75 8.368 -8.380 -12.455 1.00 0.00 H new ATOM 0 HG3 LYS A 75 7.659 -7.034 -13.324 1.00 0.00 H new ATOM 0 HD2 LYS A 75 9.808 -5.722 -12.580 1.00 0.00 H new ATOM 0 HD3 LYS A 75 10.476 -7.310 -12.257 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.325 -6.389 -14.922 1.00 0.00 H new ATOM 0 HE3 LYS A 75 11.031 -6.508 -14.541 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 10.350 -8.451 -15.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 10.698 -8.912 -14.135 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.085 -8.757 -14.641 1.00 0.00 H new ATOM 1230 N GLU A 76 5.658 -6.346 -8.681 1.00 0.00 N ATOM 1231 CA GLU A 76 5.482 -6.356 -7.237 1.00 0.00 C ATOM 1232 C GLU A 76 4.472 -7.420 -6.825 1.00 0.00 C ATOM 1233 O GLU A 76 4.818 -8.380 -6.136 1.00 0.00 O ATOM 1234 CB GLU A 76 5.025 -4.981 -6.748 1.00 0.00 C ATOM 1235 CG GLU A 76 5.482 -4.655 -5.336 1.00 0.00 C ATOM 1236 CD GLU A 76 6.982 -4.788 -5.162 1.00 0.00 C ATOM 1237 OE1 GLU A 76 7.710 -4.659 -6.168 1.00 0.00 O ATOM 1238 OE2 GLU A 76 7.430 -5.022 -4.019 1.00 0.00 O ATOM 0 H GLU A 76 5.239 -5.545 -9.153 1.00 0.00 H new ATOM 0 HA GLU A 76 6.442 -6.593 -6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 76 5.403 -4.218 -7.429 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.937 -4.933 -6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 76 5.180 -3.638 -5.086 1.00 0.00 H new ATOM 0 HG3 GLU A 76 4.978 -5.319 -4.633 1.00 0.00 H new ATOM 1245 N LYS A 77 3.222 -7.244 -7.262 1.00 0.00 N ATOM 1246 CA LYS A 77 2.143 -8.188 -6.952 1.00 0.00 C ATOM 1247 C LYS A 77 0.775 -7.523 -7.097 1.00 0.00 C ATOM 1248 O LYS A 77 -0.194 -8.163 -7.505 1.00 0.00 O ATOM 1249 CB LYS A 77 2.287 -8.744 -5.529 1.00 0.00 C ATOM 1250 CG LYS A 77 2.849 -10.156 -5.483 1.00 0.00 C ATOM 1251 CD LYS A 77 1.747 -11.198 -5.579 1.00 0.00 C ATOM 1252 CE LYS A 77 2.230 -12.564 -5.118 1.00 0.00 C ATOM 1253 NZ LYS A 77 2.664 -13.414 -6.260 1.00 0.00 N ATOM 0 H LYS A 77 2.931 -6.452 -7.835 1.00 0.00 H new ATOM 0 HA LYS A 77 2.219 -9.010 -7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 77 2.936 -8.084 -4.954 1.00 0.00 H new ATOM 0 HB3 LYS A 77 1.311 -8.734 -5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 77 3.555 -10.295 -6.302 1.00 0.00 H new ATOM 0 HG3 LYS A 77 3.405 -10.297 -4.556 1.00 0.00 H new ATOM 0 HD2 LYS A 77 0.897 -10.887 -4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 77 1.396 -11.264 -6.609 1.00 0.00 H new ATOM 0 HE2 LYS A 77 3.060 -12.440 -4.422 1.00 0.00 H new ATOM 0 HE3 LYS A 77 1.431 -13.067 -4.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 2.986 -14.336 -5.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 1.866 -13.554 -6.912 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 3.444 -12.946 -6.764 1.00 0.00 H new ATOM 1267 N PHE A 78 0.701 -6.242 -6.743 1.00 0.00 N ATOM 1268 CA PHE A 78 -0.548 -5.494 -6.813 1.00 0.00 C ATOM 1269 C PHE A 78 -1.219 -5.617 -8.157 1.00 0.00 C ATOM 1270 O PHE A 78 -0.753 -6.327 -9.047 1.00 0.00 O ATOM 1271 CB PHE A 78 -0.316 -4.012 -6.538 1.00 0.00 C ATOM 1272 CG PHE A 78 0.779 -3.757 -5.561 1.00 0.00 C ATOM 1273 CD1 PHE A 78 0.755 -4.351 -4.315 1.00 0.00 C ATOM 1274 CD2 PHE A 78 1.847 -2.951 -5.903 1.00 0.00 C ATOM 1275 CE1 PHE A 78 1.786 -4.142 -3.425 1.00 0.00 C ATOM 1276 CE2 PHE A 78 2.876 -2.732 -5.017 1.00 0.00 C ATOM 1277 CZ PHE A 78 2.849 -3.331 -3.774 1.00 0.00 C ATOM 0 H PHE A 78 1.496 -5.700 -6.404 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.196 -5.927 -6.051 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -0.081 -3.508 -7.476 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -1.239 -3.571 -6.162 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -0.076 -4.982 -4.037 1.00 0.00 H new ATOM 0 HD2 PHE A 78 1.875 -2.487 -6.878 1.00 0.00 H new ATOM 0 HE1 PHE A 78 1.763 -4.613 -2.453 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.702 -2.094 -5.293 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.656 -3.166 -3.076 1.00 0.00 H new ATOM 1287 N SER A 79 -2.316 -4.881 -8.272 1.00 0.00 N ATOM 1288 CA SER A 79 -3.124 -4.817 -9.477 1.00 0.00 C ATOM 1289 C SER A 79 -4.610 -4.827 -9.136 1.00 0.00 C ATOM 1290 O SER A 79 -5.406 -4.176 -9.812 1.00 0.00 O ATOM 1291 CB SER A 79 -2.814 -5.953 -10.463 1.00 0.00 C ATOM 1292 OG SER A 79 -2.889 -7.220 -9.834 1.00 0.00 O ATOM 0 H SER A 79 -2.674 -4.301 -7.513 1.00 0.00 H new ATOM 0 HA SER A 79 -2.867 -3.877 -9.966 1.00 0.00 H new ATOM 0 HB2 SER A 79 -3.517 -5.916 -11.295 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.817 -5.812 -10.881 1.00 0.00 H new ATOM 0 HG SER A 79 -1.997 -7.488 -9.530 1.00 0.00 H new ATOM 1298 N PRO A 80 -5.031 -5.603 -8.117 1.00 0.00 N ATOM 1299 CA PRO A 80 -6.424 -5.710 -7.753 1.00 0.00 C ATOM 1300 C PRO A 80 -6.840 -4.882 -6.541 1.00 0.00 C ATOM 1301 O PRO A 80 -7.574 -3.905 -6.686 1.00 0.00 O ATOM 1302 CB PRO A 80 -6.548 -7.204 -7.460 1.00 0.00 C ATOM 1303 CG PRO A 80 -5.182 -7.630 -6.989 1.00 0.00 C ATOM 1304 CD PRO A 80 -4.225 -6.489 -7.277 1.00 0.00 C ATOM 0 HA PRO A 80 -7.076 -5.324 -8.537 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.304 -7.394 -6.698 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -6.847 -7.756 -8.351 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.198 -7.858 -5.923 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -4.864 -8.537 -7.504 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -3.897 -5.994 -6.363 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -3.328 -6.832 -7.793 1.00 0.00 H new ATOM 1312 N LEU A 81 -6.393 -5.264 -5.347 1.00 0.00 N ATOM 1313 CA LEU A 81 -6.768 -4.523 -4.157 1.00 0.00 C ATOM 1314 C LEU A 81 -5.684 -3.534 -3.796 1.00 0.00 C ATOM 1315 O LEU A 81 -5.739 -2.874 -2.759 1.00 0.00 O ATOM 1316 CB LEU A 81 -7.040 -5.474 -2.999 1.00 0.00 C ATOM 1317 CG LEU A 81 -8.321 -6.298 -3.140 1.00 0.00 C ATOM 1318 CD1 LEU A 81 -9.534 -5.384 -3.196 1.00 0.00 C ATOM 1319 CD2 LEU A 81 -8.257 -7.170 -4.383 1.00 0.00 C ATOM 0 H LEU A 81 -5.784 -6.066 -5.184 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.685 -3.970 -4.363 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.195 -6.155 -2.899 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -7.095 -4.896 -2.076 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.414 -6.945 -2.268 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -10.438 -5.985 -3.296 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -9.589 -4.796 -2.280 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.446 -4.715 -4.052 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.176 -7.750 -4.468 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.143 -6.539 -5.265 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -7.406 -7.847 -4.309 1.00 0.00 H new ATOM 1331 N THR A 82 -4.703 -3.431 -4.676 1.00 0.00 N ATOM 1332 CA THR A 82 -3.604 -2.523 -4.481 1.00 0.00 C ATOM 1333 C THR A 82 -3.407 -1.636 -5.700 1.00 0.00 C ATOM 1334 O THR A 82 -2.525 -0.782 -5.709 1.00 0.00 O ATOM 1335 CB THR A 82 -2.333 -3.288 -4.172 1.00 0.00 C ATOM 1336 OG1 THR A 82 -2.605 -4.662 -3.953 1.00 0.00 O ATOM 1337 CG2 THR A 82 -1.630 -2.753 -2.950 1.00 0.00 C ATOM 0 H THR A 82 -4.653 -3.974 -5.538 1.00 0.00 H new ATOM 0 HA THR A 82 -3.841 -1.883 -3.631 1.00 0.00 H new ATOM 0 HB THR A 82 -1.688 -3.163 -5.042 1.00 0.00 H new ATOM 0 HG1 THR A 82 -2.740 -5.110 -4.814 1.00 0.00 H new ATOM 0 HG21 THR A 82 -0.725 -3.332 -2.768 1.00 0.00 H new ATOM 0 HG22 THR A 82 -1.366 -1.708 -3.111 1.00 0.00 H new ATOM 0 HG23 THR A 82 -2.291 -2.831 -2.087 1.00 0.00 H new ATOM 1345 N SER A 83 -4.239 -1.815 -6.729 1.00 0.00 N ATOM 1346 CA SER A 83 -4.122 -0.988 -7.920 1.00 0.00 C ATOM 1347 C SER A 83 -4.887 0.320 -7.737 1.00 0.00 C ATOM 1348 O SER A 83 -5.323 0.951 -8.699 1.00 0.00 O ATOM 1349 CB SER A 83 -4.633 -1.723 -9.156 1.00 0.00 C ATOM 1350 OG SER A 83 -4.779 -0.840 -10.255 1.00 0.00 O ATOM 0 H SER A 83 -4.984 -2.511 -6.758 1.00 0.00 H new ATOM 0 HA SER A 83 -3.065 -0.765 -8.068 1.00 0.00 H new ATOM 0 HB2 SER A 83 -3.941 -2.523 -9.419 1.00 0.00 H new ATOM 0 HB3 SER A 83 -5.592 -2.192 -8.933 1.00 0.00 H new ATOM 0 HG SER A 83 -5.429 -0.142 -10.030 1.00 0.00 H new ATOM 1356 N ASN A 84 -5.016 0.717 -6.485 1.00 0.00 N ATOM 1357 CA ASN A 84 -5.690 1.944 -6.103 1.00 0.00 C ATOM 1358 C ASN A 84 -4.929 2.519 -4.933 1.00 0.00 C ATOM 1359 O ASN A 84 -4.589 3.701 -4.902 1.00 0.00 O ATOM 1360 CB ASN A 84 -7.147 1.675 -5.720 1.00 0.00 C ATOM 1361 CG ASN A 84 -8.091 1.816 -6.898 1.00 0.00 C ATOM 1362 OD1 ASN A 84 -7.725 2.362 -7.939 1.00 0.00 O ATOM 1363 ND2 ASN A 84 -9.314 1.323 -6.739 1.00 0.00 N ATOM 0 H ASN A 84 -4.650 0.188 -5.693 1.00 0.00 H new ATOM 0 HA ASN A 84 -5.708 2.645 -6.937 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.232 0.669 -5.309 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.447 2.367 -4.933 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -9.993 1.389 -7.497 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -9.574 0.879 -5.859 1.00 0.00 H new ATOM 1370 N LEU A 85 -4.603 1.633 -3.998 1.00 0.00 N ATOM 1371 CA LEU A 85 -3.811 2.002 -2.851 1.00 0.00 C ATOM 1372 C LEU A 85 -2.403 2.341 -3.330 1.00 0.00 C ATOM 1373 O LEU A 85 -1.649 3.023 -2.637 1.00 0.00 O ATOM 1374 CB LEU A 85 -3.775 0.854 -1.832 1.00 0.00 C ATOM 1375 CG LEU A 85 -2.710 0.981 -0.738 1.00 0.00 C ATOM 1376 CD1 LEU A 85 -3.272 0.556 0.611 1.00 0.00 C ATOM 1377 CD2 LEU A 85 -1.485 0.151 -1.089 1.00 0.00 C ATOM 0 H LEU A 85 -4.881 0.652 -4.021 1.00 0.00 H new ATOM 0 HA LEU A 85 -4.251 2.868 -2.357 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -4.753 0.782 -1.357 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -3.611 -0.081 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 85 -2.412 2.027 -0.671 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.500 0.654 1.374 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -4.119 1.192 0.869 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.600 -0.482 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.739 0.253 -0.301 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.771 -0.897 -1.185 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -1.067 0.501 -2.033 1.00 0.00 H new ATOM 1389 N ILE A 86 -2.055 1.865 -4.539 1.00 0.00 N ATOM 1390 CA ILE A 86 -0.746 2.137 -5.103 1.00 0.00 C ATOM 1391 C ILE A 86 -0.603 3.623 -5.420 1.00 0.00 C ATOM 1392 O ILE A 86 0.346 4.274 -4.983 1.00 0.00 O ATOM 1393 CB ILE A 86 -0.485 1.285 -6.377 1.00 0.00 C ATOM 1394 CG1 ILE A 86 0.512 0.167 -6.069 1.00 0.00 C ATOM 1395 CG2 ILE A 86 0.026 2.138 -7.535 1.00 0.00 C ATOM 1396 CD1 ILE A 86 0.043 -0.778 -4.986 1.00 0.00 C ATOM 0 H ILE A 86 -2.663 1.297 -5.129 1.00 0.00 H new ATOM 0 HA ILE A 86 0.001 1.859 -4.359 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.436 0.848 -6.682 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.701 -0.402 -6.980 1.00 0.00 H new ATOM 0 HG13 ILE A 86 1.461 0.610 -5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 86 0.196 1.505 -8.406 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -0.714 2.900 -7.779 1.00 0.00 H new ATOM 0 HG23 ILE A 86 0.961 2.619 -7.248 1.00 0.00 H new ATOM 0 HD11 ILE A 86 0.799 -1.545 -4.820 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.118 -0.222 -4.063 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.890 -1.249 -5.294 1.00 0.00 H new ATOM 1408 N ASN A 87 -1.559 4.153 -6.177 1.00 0.00 N ATOM 1409 CA ASN A 87 -1.546 5.561 -6.545 1.00 0.00 C ATOM 1410 C ASN A 87 -1.833 6.434 -5.328 1.00 0.00 C ATOM 1411 O ASN A 87 -1.425 7.594 -5.272 1.00 0.00 O ATOM 1412 CB ASN A 87 -2.579 5.835 -7.640 1.00 0.00 C ATOM 1413 CG ASN A 87 -2.224 5.160 -8.950 1.00 0.00 C ATOM 1414 OD1 ASN A 87 -1.630 5.773 -9.837 1.00 0.00 O ATOM 1415 ND2 ASN A 87 -2.587 3.889 -9.080 1.00 0.00 N ATOM 0 H ASN A 87 -2.351 3.627 -6.546 1.00 0.00 H new ATOM 0 HA ASN A 87 -0.555 5.806 -6.926 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -3.557 5.487 -7.308 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.660 6.910 -7.799 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -2.375 3.383 -9.940 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -3.078 3.419 -8.320 1.00 0.00 H new ATOM 1422 N LEU A 88 -2.537 5.865 -4.354 1.00 0.00 N ATOM 1423 CA LEU A 88 -2.880 6.586 -3.135 1.00 0.00 C ATOM 1424 C LEU A 88 -1.677 6.682 -2.204 1.00 0.00 C ATOM 1425 O LEU A 88 -1.516 7.668 -1.486 1.00 0.00 O ATOM 1426 CB LEU A 88 -4.041 5.893 -2.419 1.00 0.00 C ATOM 1427 CG LEU A 88 -4.926 6.815 -1.578 1.00 0.00 C ATOM 1428 CD1 LEU A 88 -5.440 7.973 -2.419 1.00 0.00 C ATOM 1429 CD2 LEU A 88 -6.085 6.034 -0.977 1.00 0.00 C ATOM 0 H LEU A 88 -2.881 4.905 -4.386 1.00 0.00 H new ATOM 0 HA LEU A 88 -3.183 7.596 -3.411 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -4.663 5.397 -3.164 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -3.636 5.114 -1.773 1.00 0.00 H new ATOM 0 HG LEU A 88 -4.326 7.223 -0.764 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.068 8.618 -1.805 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.596 8.546 -2.803 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.025 7.585 -3.253 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -6.705 6.704 -0.382 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -6.685 5.599 -1.777 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.697 5.238 -0.341 1.00 0.00 H new ATOM 1441 N LEU A 89 -0.831 5.655 -2.220 1.00 0.00 N ATOM 1442 CA LEU A 89 0.354 5.638 -1.372 1.00 0.00 C ATOM 1443 C LEU A 89 1.428 6.568 -1.925 1.00 0.00 C ATOM 1444 O LEU A 89 2.208 7.151 -1.172 1.00 0.00 O ATOM 1445 CB LEU A 89 0.901 4.215 -1.246 1.00 0.00 C ATOM 1446 CG LEU A 89 0.715 3.580 0.131 1.00 0.00 C ATOM 1447 CD1 LEU A 89 0.648 2.065 0.019 1.00 0.00 C ATOM 1448 CD2 LEU A 89 1.841 3.999 1.064 1.00 0.00 C ATOM 0 H LEU A 89 -0.944 4.829 -2.808 1.00 0.00 H new ATOM 0 HA LEU A 89 0.068 5.992 -0.382 1.00 0.00 H new ATOM 0 HB2 LEU A 89 0.413 3.586 -1.990 1.00 0.00 H new ATOM 0 HB3 LEU A 89 1.964 4.226 -1.485 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.228 3.932 0.548 1.00 0.00 H new ATOM 0 HD11 LEU A 89 0.515 1.632 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.193 1.784 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.573 1.691 -0.419 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.694 3.539 2.041 1.00 0.00 H new ATOM 0 HD22 LEU A 89 2.796 3.675 0.650 1.00 0.00 H new ATOM 0 HD23 LEU A 89 1.841 5.084 1.170 1.00 0.00 H new ATOM 1460 N ALA A 90 1.460 6.703 -3.244 1.00 0.00 N ATOM 1461 CA ALA A 90 2.435 7.565 -3.900 1.00 0.00 C ATOM 1462 C ALA A 90 1.855 8.948 -4.190 1.00 0.00 C ATOM 1463 O ALA A 90 2.486 9.765 -4.862 1.00 0.00 O ATOM 1464 CB ALA A 90 2.929 6.918 -5.186 1.00 0.00 C ATOM 0 H ALA A 90 0.822 6.227 -3.881 1.00 0.00 H new ATOM 0 HA ALA A 90 3.277 7.694 -3.220 1.00 0.00 H new ATOM 0 HB1 ALA A 90 3.657 7.572 -5.666 1.00 0.00 H new ATOM 0 HB2 ALA A 90 3.398 5.961 -4.955 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.087 6.756 -5.859 1.00 0.00 H new ATOM 1470 N GLU A 91 0.651 9.209 -3.684 1.00 0.00 N ATOM 1471 CA GLU A 91 -0.002 10.497 -3.895 1.00 0.00 C ATOM 1472 C GLU A 91 -0.194 11.230 -2.570 1.00 0.00 C ATOM 1473 O GLU A 91 0.468 12.233 -2.303 1.00 0.00 O ATOM 1474 CB GLU A 91 -1.353 10.301 -4.584 1.00 0.00 C ATOM 1475 CG GLU A 91 -2.095 11.601 -4.851 1.00 0.00 C ATOM 1476 CD GLU A 91 -1.985 12.049 -6.294 1.00 0.00 C ATOM 1477 OE1 GLU A 91 -0.851 12.290 -6.757 1.00 0.00 O ATOM 1478 OE2 GLU A 91 -3.034 12.159 -6.964 1.00 0.00 O ATOM 0 H GLU A 91 0.110 8.547 -3.127 1.00 0.00 H new ATOM 0 HA GLU A 91 0.639 11.102 -4.536 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -1.197 9.781 -5.529 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -1.977 9.657 -3.965 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -3.146 11.474 -4.593 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -1.699 12.381 -4.201 1.00 0.00 H new ATOM 1485 N ASN A 92 -1.101 10.720 -1.745 1.00 0.00 N ATOM 1486 CA ASN A 92 -1.380 11.324 -0.447 1.00 0.00 C ATOM 1487 C ASN A 92 -1.472 10.256 0.638 1.00 0.00 C ATOM 1488 O ASN A 92 -2.191 10.419 1.624 1.00 0.00 O ATOM 1489 CB ASN A 92 -2.680 12.126 -0.502 1.00 0.00 C ATOM 1490 CG ASN A 92 -2.642 13.219 -1.552 1.00 0.00 C ATOM 1491 OD1 ASN A 92 -1.816 14.129 -1.489 1.00 0.00 O ATOM 1492 ND2 ASN A 92 -3.539 13.133 -2.528 1.00 0.00 N ATOM 0 H ASN A 92 -1.656 9.890 -1.952 1.00 0.00 H new ATOM 0 HA ASN A 92 -0.558 11.997 -0.202 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -3.510 11.452 -0.713 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -2.871 12.571 0.475 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -3.561 13.839 -3.264 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -4.206 12.361 -2.541 1.00 0.00 H new ATOM 1499 N GLY A 93 -0.740 9.163 0.449 1.00 0.00 N ATOM 1500 CA GLY A 93 -0.753 8.082 1.417 1.00 0.00 C ATOM 1501 C GLY A 93 0.543 7.979 2.202 1.00 0.00 C ATOM 1502 O GLY A 93 0.645 7.183 3.135 1.00 0.00 O ATOM 0 H GLY A 93 -0.137 9.007 -0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.581 8.231 2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.935 7.140 0.900 1.00 0.00 H new ATOM 1506 N ARG A 94 1.537 8.782 1.825 1.00 0.00 N ATOM 1507 CA ARG A 94 2.830 8.775 2.503 1.00 0.00 C ATOM 1508 C ARG A 94 3.612 7.508 2.171 1.00 0.00 C ATOM 1509 O ARG A 94 3.331 6.435 2.703 1.00 0.00 O ATOM 1510 CB ARG A 94 2.644 8.889 4.019 1.00 0.00 C ATOM 1511 CG ARG A 94 1.625 9.938 4.432 1.00 0.00 C ATOM 1512 CD ARG A 94 1.052 9.646 5.809 1.00 0.00 C ATOM 1513 NE ARG A 94 0.446 10.830 6.413 1.00 0.00 N ATOM 1514 CZ ARG A 94 1.143 11.814 6.976 1.00 0.00 C ATOM 1515 NH1 ARG A 94 2.468 11.760 7.015 1.00 0.00 N ATOM 1516 NH2 ARG A 94 0.513 12.856 7.502 1.00 0.00 N ATOM 0 H ARG A 94 1.470 9.446 1.053 1.00 0.00 H new ATOM 0 HA ARG A 94 3.397 9.636 2.150 1.00 0.00 H new ATOM 0 HB2 ARG A 94 2.335 7.920 4.412 1.00 0.00 H new ATOM 0 HB3 ARG A 94 3.604 9.127 4.477 1.00 0.00 H new ATOM 0 HG2 ARG A 94 2.094 10.922 4.433 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.818 9.971 3.700 1.00 0.00 H new ATOM 0 HD2 ARG A 94 0.305 8.857 5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.843 9.272 6.459 1.00 0.00 H new ATOM 0 HE ARG A 94 -0.571 10.907 6.403 1.00 0.00 H new ATOM 0 HH11 ARG A 94 2.958 10.961 6.612 1.00 0.00 H new ATOM 0 HH12 ARG A 94 2.997 12.517 7.448 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -0.506 12.903 7.475 1.00 0.00 H new ATOM 0 HH22 ARG A 94 1.047 13.610 7.934 1.00 0.00 H new ATOM 1530 N LEU A 95 4.604 7.644 1.294 1.00 0.00 N ATOM 1531 CA LEU A 95 5.434 6.510 0.900 1.00 0.00 C ATOM 1532 C LEU A 95 6.689 6.426 1.765 1.00 0.00 C ATOM 1533 O LEU A 95 7.657 5.751 1.410 1.00 0.00 O ATOM 1534 CB LEU A 95 5.819 6.619 -0.577 1.00 0.00 C ATOM 1535 CG LEU A 95 5.836 5.294 -1.342 1.00 0.00 C ATOM 1536 CD1 LEU A 95 4.439 4.698 -1.407 1.00 0.00 C ATOM 1537 CD2 LEU A 95 6.399 5.494 -2.740 1.00 0.00 C ATOM 0 H LEU A 95 4.852 8.525 0.844 1.00 0.00 H new ATOM 0 HA LEU A 95 4.854 5.599 1.048 1.00 0.00 H new ATOM 0 HB2 LEU A 95 5.121 7.296 -1.069 1.00 0.00 H new ATOM 0 HB3 LEU A 95 6.807 7.074 -0.646 1.00 0.00 H new ATOM 0 HG LEU A 95 6.481 4.596 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 95 4.470 3.756 -1.955 1.00 0.00 H new ATOM 0 HD12 LEU A 95 4.073 4.518 -0.396 1.00 0.00 H new ATOM 0 HD13 LEU A 95 3.771 5.392 -1.917 1.00 0.00 H new ATOM 0 HD21 LEU A 95 6.404 4.542 -3.270 1.00 0.00 H new ATOM 0 HD22 LEU A 95 5.780 6.208 -3.283 1.00 0.00 H new ATOM 0 HD23 LEU A 95 7.418 5.876 -2.671 1.00 0.00 H new ATOM 1549 N THR A 96 6.656 7.101 2.908 1.00 0.00 N ATOM 1550 CA THR A 96 7.775 7.096 3.840 1.00 0.00 C ATOM 1551 C THR A 96 7.350 6.421 5.136 1.00 0.00 C ATOM 1552 O THR A 96 8.116 5.682 5.751 1.00 0.00 O ATOM 1553 CB THR A 96 8.249 8.524 4.119 1.00 0.00 C ATOM 1554 OG1 THR A 96 7.210 9.292 4.700 1.00 0.00 O ATOM 1555 CG2 THR A 96 8.719 9.252 2.878 1.00 0.00 C ATOM 0 H THR A 96 5.860 7.662 3.212 1.00 0.00 H new ATOM 0 HA THR A 96 8.603 6.543 3.398 1.00 0.00 H new ATOM 0 HB THR A 96 9.093 8.420 4.801 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.533 10.201 4.873 1.00 0.00 H new ATOM 0 HG21 THR A 96 9.041 10.258 3.146 1.00 0.00 H new ATOM 0 HG22 THR A 96 9.554 8.711 2.433 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.901 9.312 2.160 1.00 0.00 H new ATOM 1563 N ASN A 97 6.105 6.672 5.524 1.00 0.00 N ATOM 1564 CA ASN A 97 5.538 6.085 6.727 1.00 0.00 C ATOM 1565 C ASN A 97 4.562 4.968 6.361 1.00 0.00 C ATOM 1566 O ASN A 97 3.767 4.528 7.191 1.00 0.00 O ATOM 1567 CB ASN A 97 4.820 7.157 7.549 1.00 0.00 C ATOM 1568 CG ASN A 97 5.786 8.083 8.261 1.00 0.00 C ATOM 1569 OD1 ASN A 97 6.231 7.799 9.373 1.00 0.00 O ATOM 1570 ND2 ASN A 97 6.115 9.199 7.622 1.00 0.00 N ATOM 0 H ASN A 97 5.466 7.284 5.016 1.00 0.00 H new ATOM 0 HA ASN A 97 6.347 5.664 7.324 1.00 0.00 H new ATOM 0 HB2 ASN A 97 4.176 7.743 6.893 1.00 0.00 H new ATOM 0 HB3 ASN A 97 4.174 6.676 8.283 1.00 0.00 H new ATOM 0 HD21 ASN A 97 6.761 9.861 8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 97 5.722 9.394 6.701 1.00 0.00 H new ATOM 1577 N THR A 98 4.626 4.517 5.105 1.00 0.00 N ATOM 1578 CA THR A 98 3.748 3.457 4.620 1.00 0.00 C ATOM 1579 C THR A 98 3.682 2.267 5.587 1.00 0.00 C ATOM 1580 O THR A 98 2.595 1.751 5.847 1.00 0.00 O ATOM 1581 CB THR A 98 4.175 2.984 3.226 1.00 0.00 C ATOM 1582 OG1 THR A 98 3.539 1.762 2.898 1.00 0.00 O ATOM 1583 CG2 THR A 98 5.666 2.775 3.073 1.00 0.00 C ATOM 0 H THR A 98 5.279 4.873 4.407 1.00 0.00 H new ATOM 0 HA THR A 98 2.747 3.884 4.557 1.00 0.00 H new ATOM 0 HB THR A 98 3.875 3.789 2.555 1.00 0.00 H new ATOM 0 HG1 THR A 98 3.822 1.476 2.004 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.884 2.441 2.059 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.187 3.713 3.266 1.00 0.00 H new ATOM 0 HG23 THR A 98 6.002 2.020 3.784 1.00 0.00 H new ATOM 1591 N PRO A 99 4.830 1.803 6.139 1.00 0.00 N ATOM 1592 CA PRO A 99 4.862 0.672 7.069 1.00 0.00 C ATOM 1593 C PRO A 99 3.680 0.666 8.036 1.00 0.00 C ATOM 1594 O PRO A 99 3.204 -0.393 8.444 1.00 0.00 O ATOM 1595 CB PRO A 99 6.185 0.859 7.834 1.00 0.00 C ATOM 1596 CG PRO A 99 6.844 2.069 7.242 1.00 0.00 C ATOM 1597 CD PRO A 99 6.186 2.314 5.915 1.00 0.00 C ATOM 0 HA PRO A 99 4.794 -0.279 6.540 1.00 0.00 H new ATOM 0 HB2 PRO A 99 6.002 0.998 8.900 1.00 0.00 H new ATOM 0 HB3 PRO A 99 6.821 -0.020 7.732 1.00 0.00 H new ATOM 0 HG2 PRO A 99 6.727 2.932 7.897 1.00 0.00 H new ATOM 0 HG3 PRO A 99 7.915 1.905 7.119 1.00 0.00 H new ATOM 0 HD2 PRO A 99 6.184 3.372 5.652 1.00 0.00 H new ATOM 0 HD3 PRO A 99 6.691 1.785 5.107 1.00 0.00 H new ATOM 1605 N ALA A 100 3.206 1.855 8.392 1.00 0.00 N ATOM 1606 CA ALA A 100 2.076 1.982 9.302 1.00 0.00 C ATOM 1607 C ALA A 100 0.809 1.415 8.674 1.00 0.00 C ATOM 1608 O ALA A 100 0.089 0.635 9.297 1.00 0.00 O ATOM 1609 CB ALA A 100 1.871 3.439 9.686 1.00 0.00 C ATOM 0 H ALA A 100 3.587 2.743 8.064 1.00 0.00 H new ATOM 0 HA ALA A 100 2.295 1.409 10.203 1.00 0.00 H new ATOM 0 HB1 ALA A 100 1.023 3.520 10.366 1.00 0.00 H new ATOM 0 HB2 ALA A 100 2.768 3.815 10.177 1.00 0.00 H new ATOM 0 HB3 ALA A 100 1.674 4.027 8.790 1.00 0.00 H new ATOM 1615 N VAL A 101 0.547 1.807 7.432 1.00 0.00 N ATOM 1616 CA VAL A 101 -0.630 1.334 6.715 1.00 0.00 C ATOM 1617 C VAL A 101 -0.594 -0.182 6.543 1.00 0.00 C ATOM 1618 O VAL A 101 -1.630 -0.818 6.348 1.00 0.00 O ATOM 1619 CB VAL A 101 -0.743 1.996 5.328 1.00 0.00 C ATOM 1620 CG1 VAL A 101 -2.053 1.611 4.656 1.00 0.00 C ATOM 1621 CG2 VAL A 101 -0.622 3.508 5.448 1.00 0.00 C ATOM 0 H VAL A 101 1.134 2.451 6.902 1.00 0.00 H new ATOM 0 HA VAL A 101 -1.500 1.608 7.312 1.00 0.00 H new ATOM 0 HB VAL A 101 0.076 1.636 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -2.114 2.088 3.678 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -2.095 0.529 4.535 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.889 1.940 5.273 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.704 3.959 4.459 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -1.419 3.887 6.087 1.00 0.00 H new ATOM 0 HG23 VAL A 101 0.344 3.762 5.884 1.00 0.00 H new ATOM 1631 N ILE A 102 0.605 -0.756 6.614 1.00 0.00 N ATOM 1632 CA ILE A 102 0.771 -2.197 6.465 1.00 0.00 C ATOM 1633 C ILE A 102 0.337 -2.938 7.726 1.00 0.00 C ATOM 1634 O ILE A 102 -0.441 -3.889 7.660 1.00 0.00 O ATOM 1635 CB ILE A 102 2.233 -2.569 6.154 1.00 0.00 C ATOM 1636 CG1 ILE A 102 2.792 -1.673 5.044 1.00 0.00 C ATOM 1637 CG2 ILE A 102 2.332 -4.037 5.763 1.00 0.00 C ATOM 1638 CD1 ILE A 102 4.189 -2.055 4.600 1.00 0.00 C ATOM 0 H ILE A 102 1.473 -0.245 6.774 1.00 0.00 H new ATOM 0 HA ILE A 102 0.138 -2.497 5.630 1.00 0.00 H new ATOM 0 HB ILE A 102 2.831 -2.410 7.051 1.00 0.00 H new ATOM 0 HG12 ILE A 102 2.123 -1.714 4.184 1.00 0.00 H new ATOM 0 HG13 ILE A 102 2.800 -0.640 5.392 1.00 0.00 H new ATOM 0 HG21 ILE A 102 3.371 -4.286 5.546 1.00 0.00 H new ATOM 0 HG22 ILE A 102 1.974 -4.657 6.585 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.722 -4.220 4.878 1.00 0.00 H new ATOM 0 HD11 ILE A 102 4.519 -1.377 3.813 1.00 0.00 H new ATOM 0 HD12 ILE A 102 4.872 -1.986 5.447 1.00 0.00 H new ATOM 0 HD13 ILE A 102 4.183 -3.077 4.220 1.00 0.00 H new ATOM 1650 N SER A 103 0.849 -2.500 8.872 1.00 0.00 N ATOM 1651 CA SER A 103 0.515 -3.128 10.145 1.00 0.00 C ATOM 1652 C SER A 103 -0.883 -2.730 10.606 1.00 0.00 C ATOM 1653 O SER A 103 -1.514 -3.441 11.388 1.00 0.00 O ATOM 1654 CB SER A 103 1.544 -2.748 11.211 1.00 0.00 C ATOM 1655 OG SER A 103 2.860 -3.050 10.783 1.00 0.00 O ATOM 0 H SER A 103 1.495 -1.714 8.945 1.00 0.00 H new ATOM 0 HA SER A 103 0.532 -4.208 10.000 1.00 0.00 H new ATOM 0 HB2 SER A 103 1.466 -1.684 11.432 1.00 0.00 H new ATOM 0 HB3 SER A 103 1.328 -3.283 12.136 1.00 0.00 H new ATOM 0 HG SER A 103 3.498 -2.796 11.482 1.00 0.00 H new ATOM 1661 N ALA A 104 -1.362 -1.591 10.119 1.00 0.00 N ATOM 1662 CA ALA A 104 -2.684 -1.103 10.487 1.00 0.00 C ATOM 1663 C ALA A 104 -3.783 -1.902 9.792 1.00 0.00 C ATOM 1664 O ALA A 104 -4.899 -2.004 10.299 1.00 0.00 O ATOM 1665 CB ALA A 104 -2.812 0.375 10.155 1.00 0.00 C ATOM 0 H ALA A 104 -0.855 -0.990 9.470 1.00 0.00 H new ATOM 0 HA ALA A 104 -2.804 -1.235 11.562 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -3.805 0.726 10.435 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.059 0.938 10.706 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.664 0.522 9.085 1.00 0.00 H new ATOM 1671 N PHE A 105 -3.466 -2.465 8.629 1.00 0.00 N ATOM 1672 CA PHE A 105 -4.439 -3.250 7.877 1.00 0.00 C ATOM 1673 C PHE A 105 -4.716 -4.582 8.561 1.00 0.00 C ATOM 1674 O PHE A 105 -5.856 -5.044 8.603 1.00 0.00 O ATOM 1675 CB PHE A 105 -3.953 -3.503 6.447 1.00 0.00 C ATOM 1676 CG PHE A 105 -4.970 -4.210 5.589 1.00 0.00 C ATOM 1677 CD1 PHE A 105 -6.320 -3.944 5.737 1.00 0.00 C ATOM 1678 CD2 PHE A 105 -4.579 -5.137 4.634 1.00 0.00 C ATOM 1679 CE1 PHE A 105 -7.255 -4.583 4.956 1.00 0.00 C ATOM 1680 CE2 PHE A 105 -5.513 -5.777 3.847 1.00 0.00 C ATOM 1681 CZ PHE A 105 -6.851 -5.501 4.009 1.00 0.00 C ATOM 0 H PHE A 105 -2.548 -2.393 8.189 1.00 0.00 H new ATOM 0 HA PHE A 105 -5.363 -2.672 7.842 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -3.696 -2.550 5.984 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.040 -4.097 6.481 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -6.644 -3.225 6.475 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -3.530 -5.360 4.505 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -8.305 -4.366 5.084 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -5.195 -6.494 3.105 1.00 0.00 H new ATOM 0 HZ PHE A 105 -7.584 -6.003 3.395 1.00 0.00 H new ATOM 1691 N SER A 106 -3.666 -5.201 9.086 1.00 0.00 N ATOM 1692 CA SER A 106 -3.798 -6.488 9.758 1.00 0.00 C ATOM 1693 C SER A 106 -4.812 -6.423 10.896 1.00 0.00 C ATOM 1694 O SER A 106 -5.368 -7.445 11.300 1.00 0.00 O ATOM 1695 CB SER A 106 -2.441 -6.951 10.289 1.00 0.00 C ATOM 1696 OG SER A 106 -2.577 -8.105 11.099 1.00 0.00 O ATOM 0 H SER A 106 -2.715 -4.834 9.060 1.00 0.00 H new ATOM 0 HA SER A 106 -4.161 -7.209 9.026 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.774 -7.166 9.454 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.980 -6.150 10.867 1.00 0.00 H new ATOM 0 HG SER A 106 -1.695 -8.382 11.425 1.00 0.00 H new ATOM 1702 N THR A 107 -5.052 -5.222 11.410 1.00 0.00 N ATOM 1703 CA THR A 107 -6.004 -5.041 12.500 1.00 0.00 C ATOM 1704 C THR A 107 -7.404 -4.788 11.959 1.00 0.00 C ATOM 1705 O THR A 107 -8.397 -5.166 12.580 1.00 0.00 O ATOM 1706 CB THR A 107 -5.569 -3.885 13.402 1.00 0.00 C ATOM 1707 OG1 THR A 107 -4.269 -4.111 13.916 1.00 0.00 O ATOM 1708 CG2 THR A 107 -6.495 -3.662 14.578 1.00 0.00 C ATOM 0 H THR A 107 -4.603 -4.363 11.092 1.00 0.00 H new ATOM 0 HA THR A 107 -6.024 -5.958 13.089 1.00 0.00 H new ATOM 0 HB THR A 107 -5.594 -2.999 12.767 1.00 0.00 H new ATOM 0 HG1 THR A 107 -4.009 -3.360 14.489 1.00 0.00 H new ATOM 0 HG21 THR A 107 -6.129 -2.828 15.177 1.00 0.00 H new ATOM 0 HG22 THR A 107 -7.497 -3.435 14.214 1.00 0.00 H new ATOM 0 HG23 THR A 107 -6.527 -4.562 15.192 1.00 0.00 H new ATOM 1716 N MET A 108 -7.479 -4.157 10.793 1.00 0.00 N ATOM 1717 CA MET A 108 -8.759 -3.870 10.169 1.00 0.00 C ATOM 1718 C MET A 108 -9.232 -5.075 9.365 1.00 0.00 C ATOM 1719 O MET A 108 -10.431 -5.282 9.181 1.00 0.00 O ATOM 1720 CB MET A 108 -8.642 -2.641 9.271 1.00 0.00 C ATOM 1721 CG MET A 108 -7.902 -1.483 9.923 1.00 0.00 C ATOM 1722 SD MET A 108 -8.968 -0.486 10.983 1.00 0.00 S ATOM 1723 CE MET A 108 -8.386 -0.973 12.605 1.00 0.00 C ATOM 0 H MET A 108 -6.668 -3.836 10.264 1.00 0.00 H new ATOM 0 HA MET A 108 -9.493 -3.662 10.947 1.00 0.00 H new ATOM 0 HB2 MET A 108 -8.127 -2.920 8.352 1.00 0.00 H new ATOM 0 HB3 MET A 108 -9.642 -2.310 8.988 1.00 0.00 H new ATOM 0 HG2 MET A 108 -7.072 -1.873 10.513 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.472 -0.849 9.148 1.00 0.00 H new ATOM 0 HE1 MET A 108 -8.806 -0.306 13.358 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.699 -1.997 12.812 1.00 0.00 H new ATOM 0 HE3 MET A 108 -7.298 -0.913 12.634 1.00 0.00 H new ATOM 1733 N MET A 109 -8.276 -5.873 8.899 1.00 0.00 N ATOM 1734 CA MET A 109 -8.587 -7.069 8.127 1.00 0.00 C ATOM 1735 C MET A 109 -8.987 -8.222 9.047 1.00 0.00 C ATOM 1736 O MET A 109 -9.542 -9.218 8.592 1.00 0.00 O ATOM 1737 CB MET A 109 -7.389 -7.475 7.265 1.00 0.00 C ATOM 1738 CG MET A 109 -6.217 -8.022 8.064 1.00 0.00 C ATOM 1739 SD MET A 109 -6.327 -9.803 8.325 1.00 0.00 S ATOM 1740 CE MET A 109 -4.992 -10.057 9.492 1.00 0.00 C ATOM 0 H MET A 109 -7.279 -5.712 9.043 1.00 0.00 H new ATOM 0 HA MET A 109 -9.430 -6.841 7.474 1.00 0.00 H new ATOM 0 HB2 MET A 109 -7.709 -8.228 6.545 1.00 0.00 H new ATOM 0 HB3 MET A 109 -7.055 -6.610 6.693 1.00 0.00 H new ATOM 0 HG2 MET A 109 -5.288 -7.792 7.543 1.00 0.00 H new ATOM 0 HG3 MET A 109 -6.174 -7.519 9.030 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.909 -11.119 9.724 1.00 0.00 H new ATOM 0 HE2 MET A 109 -4.056 -9.707 9.056 1.00 0.00 H new ATOM 0 HE3 MET A 109 -5.197 -9.500 10.406 1.00 0.00 H new ATOM 1750 N SER A 110 -8.707 -8.083 10.343 1.00 0.00 N ATOM 1751 CA SER A 110 -9.052 -9.121 11.308 1.00 0.00 C ATOM 1752 C SER A 110 -10.306 -8.736 12.079 1.00 0.00 C ATOM 1753 O SER A 110 -11.106 -9.594 12.453 1.00 0.00 O ATOM 1754 CB SER A 110 -7.892 -9.363 12.274 1.00 0.00 C ATOM 1755 OG SER A 110 -7.043 -10.396 11.804 1.00 0.00 O ATOM 0 H SER A 110 -8.245 -7.267 10.745 1.00 0.00 H new ATOM 0 HA SER A 110 -9.248 -10.044 10.762 1.00 0.00 H new ATOM 0 HB2 SER A 110 -7.319 -8.444 12.396 1.00 0.00 H new ATOM 0 HB3 SER A 110 -8.282 -9.628 13.257 1.00 0.00 H new ATOM 0 HG SER A 110 -6.308 -10.530 12.439 1.00 0.00 H new ATOM 1761 N VAL A 111 -10.480 -7.439 12.301 1.00 0.00 N ATOM 1762 CA VAL A 111 -11.649 -6.943 13.015 1.00 0.00 C ATOM 1763 C VAL A 111 -12.918 -7.170 12.197 1.00 0.00 C ATOM 1764 O VAL A 111 -14.029 -7.072 12.718 1.00 0.00 O ATOM 1765 CB VAL A 111 -11.515 -5.442 13.341 1.00 0.00 C ATOM 1766 CG1 VAL A 111 -11.482 -4.612 12.067 1.00 0.00 C ATOM 1767 CG2 VAL A 111 -12.649 -4.992 14.251 1.00 0.00 C ATOM 0 H VAL A 111 -9.829 -6.714 11.998 1.00 0.00 H new ATOM 0 HA VAL A 111 -11.716 -7.499 13.950 1.00 0.00 H new ATOM 0 HB VAL A 111 -10.572 -5.288 13.866 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -11.387 -3.557 12.323 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -10.631 -4.916 11.457 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -12.404 -4.768 11.507 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -12.539 -3.930 14.471 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -13.604 -5.163 13.754 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -12.617 -5.561 15.180 1.00 0.00 H new ATOM 1777 N HIS A 112 -12.746 -7.472 10.910 1.00 0.00 N ATOM 1778 CA HIS A 112 -13.868 -7.710 10.024 1.00 0.00 C ATOM 1779 C HIS A 112 -14.527 -9.055 10.324 1.00 0.00 C ATOM 1780 O HIS A 112 -15.719 -9.241 10.079 1.00 0.00 O ATOM 1781 CB HIS A 112 -13.389 -7.659 8.574 1.00 0.00 C ATOM 1782 CG HIS A 112 -12.827 -8.948 8.065 1.00 0.00 C ATOM 1783 ND1 HIS A 112 -11.978 -9.749 8.796 1.00 0.00 N ATOM 1784 CD2 HIS A 112 -13.008 -9.578 6.886 1.00 0.00 C ATOM 1785 CE1 HIS A 112 -11.664 -10.817 8.086 1.00 0.00 C ATOM 1786 NE2 HIS A 112 -12.279 -10.738 6.924 1.00 0.00 N ATOM 0 H HIS A 112 -11.833 -7.556 10.463 1.00 0.00 H new ATOM 0 HA HIS A 112 -14.615 -6.933 10.185 1.00 0.00 H new ATOM 0 HB2 HIS A 112 -14.224 -7.364 7.938 1.00 0.00 H new ATOM 0 HB3 HIS A 112 -12.629 -6.883 8.482 1.00 0.00 H new ATOM 0 HD2 HIS A 112 -13.616 -9.232 6.063 1.00 0.00 H new ATOM 0 HE1 HIS A 112 -11.014 -11.619 8.404 1.00 0.00 H new ATOM 0 HE2 HIS A 112 -12.222 -11.428 6.175 1.00 0.00 H new ATOM 1795 N ARG A 113 -13.741 -9.991 10.848 1.00 0.00 N ATOM 1796 CA ARG A 113 -14.250 -11.317 11.173 1.00 0.00 C ATOM 1797 C ARG A 113 -15.292 -11.242 12.284 1.00 0.00 C ATOM 1798 O ARG A 113 -16.265 -11.996 12.288 1.00 0.00 O ATOM 1799 CB ARG A 113 -13.104 -12.239 11.592 1.00 0.00 C ATOM 1800 CG ARG A 113 -13.267 -13.670 11.109 1.00 0.00 C ATOM 1801 CD ARG A 113 -11.930 -14.285 10.725 1.00 0.00 C ATOM 1802 NE ARG A 113 -11.886 -15.719 11.005 1.00 0.00 N ATOM 1803 CZ ARG A 113 -11.686 -16.232 12.216 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -11.511 -15.434 13.262 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -11.660 -17.546 12.383 1.00 0.00 N ATOM 0 H ARG A 113 -12.752 -9.855 11.056 1.00 0.00 H new ATOM 0 HA ARG A 113 -14.725 -11.725 10.281 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -12.167 -11.839 11.206 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.027 -12.238 12.679 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -13.732 -14.269 11.892 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -13.938 -13.691 10.250 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -11.745 -14.117 9.664 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -11.130 -13.784 11.271 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.016 -16.364 10.226 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -11.529 -14.422 13.140 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -11.358 -15.833 14.188 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.793 -18.165 11.583 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -11.507 -17.939 13.312 1.00 0.00 H new