USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 885 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 27 SER OG : rot -150:sc= -1.14 USER MOD Set 1.2: A 109 MET CE :methyl -166:sc= -0.896 (180deg=-0.0903) USER MOD Set 1.3: A 112 HIS : no HE2:sc= -4.6! C(o=-6.6!,f=-13!) USER MOD Set 2.1: A 96 THR OG1 : rot 180:sc= 0.0329 USER MOD Set 2.2: A 97 ASN : amide:sc= -0.0154 X(o=0.017,f=0.033) USER MOD Set 3.1: A 79 SER OG : rot 166:sc= -1.81! USER MOD Set 3.2: A 82 THR OG1 : rot 127:sc= 0.0794 USER MOD Set 4.1: A 65 LYS NZ :NH3+ -110:sc= -0.191 (180deg=-0.517) USER MOD Set 4.2: A 68 SER OG : rot -62:sc= 1.55 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -76:sc= -1.36 USER MOD Single : A 23 TYR OH : rot -71:sc= -1.65! 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= 0 X(o=0,f=0) USER MOD Single : A 30 ASN : amide:sc= 0.366 X(o=0.37,f=-0.00049) USER MOD Single : A 31 LYS NZ :NH3+ -173:sc= 1.12 (180deg=1.09) USER MOD Single : A 34 GLN :FLIP amide:sc= -0.848 F(o=-1.8,f=-0.85) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 MET CE :methyl -156:sc= -1.19 (180deg=-1.63!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= -1.07 X(o=-1.1,f=-0.66) 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= -0.0218 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 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 92:sc= -0.84 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 69:sc= 0.241 USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-2.8!) USER MOD Single : A 87 ASN : amide:sc= -0.305 K(o=-0.3,f=-1.5!) USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 98 THR OG1 : rot 171:sc= -0.304 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0242 USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 SER OG : rot -60:sc= 1.3 USER MOD Single : B 9 SER OG : rot 130:sc= -3.43! USER MOD Single : B 10 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 222 N ILE A 14 2.147 -13.019 -4.582 1.00 0.00 N ATOM 223 CA ILE A 14 2.929 -11.788 -4.980 1.00 0.00 C ATOM 224 C ILE A 14 2.240 -10.527 -4.410 1.00 0.00 C ATOM 225 O ILE A 14 2.900 -9.616 -3.945 1.00 0.00 O ATOM 226 CB ILE A 14 2.986 -11.782 -6.534 1.00 0.00 C ATOM 227 CG1 ILE A 14 4.172 -10.928 -7.012 1.00 0.00 C ATOM 228 CG2 ILE A 14 1.681 -11.249 -7.147 1.00 0.00 C ATOM 229 CD1 ILE A 14 4.016 -9.478 -6.546 1.00 0.00 C ATOM 0 HA ILE A 14 3.942 -11.794 -4.578 1.00 0.00 H new ATOM 0 HB ILE A 14 3.117 -12.812 -6.866 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.104 -11.341 -6.626 1.00 0.00 H new ATOM 0 HG13 ILE A 14 4.236 -10.961 -8.100 1.00 0.00 H new ATOM 0 HG21 ILE A 14 1.759 -11.260 -8.234 1.00 0.00 H new ATOM 0 HG22 ILE A 14 0.849 -11.880 -6.836 1.00 0.00 H new ATOM 0 HG23 ILE A 14 1.509 -10.228 -6.806 1.00 0.00 H new ATOM 0 HD11 ILE A 14 4.865 -8.890 -6.895 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.095 -9.062 -6.954 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.976 -9.448 -5.457 1.00 0.00 H new ATOM 241 N GLU A 15 0.922 -10.480 -4.426 1.00 0.00 N ATOM 242 CA GLU A 15 0.217 -9.278 -3.859 1.00 0.00 C ATOM 243 C GLU A 15 0.388 -9.256 -2.333 1.00 0.00 C ATOM 244 O GLU A 15 0.565 -8.206 -1.746 1.00 0.00 O ATOM 245 CB GLU A 15 -1.268 -9.412 -4.231 1.00 0.00 C ATOM 246 CG GLU A 15 -1.502 -8.801 -5.615 1.00 0.00 C ATOM 247 CD GLU A 15 -2.567 -9.611 -6.358 1.00 0.00 C ATOM 248 OE1 GLU A 15 -2.297 -10.756 -6.678 1.00 0.00 O ATOM 249 OE2 GLU A 15 -3.636 -9.071 -6.593 1.00 0.00 O ATOM 0 H GLU A 15 0.314 -11.209 -4.800 1.00 0.00 H new ATOM 0 HA GLU A 15 0.628 -8.351 -4.258 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.561 -10.462 -4.230 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.887 -8.908 -3.489 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -1.822 -7.764 -5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -0.572 -8.795 -6.184 1.00 0.00 H new ATOM 256 N GLY A 16 0.353 -10.404 -1.680 1.00 0.00 N ATOM 257 CA GLY A 16 0.534 -10.423 -0.199 1.00 0.00 C ATOM 258 C GLY A 16 1.945 -9.921 0.140 1.00 0.00 C ATOM 259 O GLY A 16 2.128 -9.176 1.085 1.00 0.00 O ATOM 0 H GLY A 16 0.208 -11.316 -2.112 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -0.215 -9.792 0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.392 -11.433 0.184 1.00 0.00 H new ATOM 263 N ARG A 17 2.946 -10.312 -0.626 1.00 0.00 N ATOM 264 CA ARG A 17 4.344 -9.831 -0.330 1.00 0.00 C ATOM 265 C ARG A 17 4.414 -8.295 -0.360 1.00 0.00 C ATOM 266 O ARG A 17 5.273 -7.716 0.271 1.00 0.00 O ATOM 267 CB ARG A 17 5.259 -10.421 -1.416 1.00 0.00 C ATOM 268 CG ARG A 17 5.712 -11.821 -0.997 1.00 0.00 C ATOM 269 CD ARG A 17 7.128 -12.078 -1.519 1.00 0.00 C ATOM 270 NE ARG A 17 7.603 -13.274 -0.771 1.00 0.00 N ATOM 271 CZ ARG A 17 8.010 -14.330 -1.420 1.00 0.00 C ATOM 272 NH1 ARG A 17 8.891 -14.210 -2.376 1.00 0.00 N ATOM 273 NH2 ARG A 17 7.538 -15.507 -1.113 1.00 0.00 N ATOM 0 H ARG A 17 2.859 -10.933 -1.430 1.00 0.00 H new ATOM 0 HA ARG A 17 4.653 -10.151 0.665 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.729 -10.468 -2.367 1.00 0.00 H new ATOM 0 HB3 ARG A 17 6.125 -9.777 -1.566 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.692 -11.911 0.089 1.00 0.00 H new ATOM 0 HG3 ARG A 17 5.026 -12.570 -1.392 1.00 0.00 H new ATOM 0 HD2 ARG A 17 7.126 -12.260 -2.594 1.00 0.00 H new ATOM 0 HD3 ARG A 17 7.776 -11.219 -1.343 1.00 0.00 H new ATOM 0 HE ARG A 17 7.610 -13.268 0.249 1.00 0.00 H new ATOM 0 HH11 ARG A 17 9.261 -13.290 -2.616 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.209 -15.036 -2.883 1.00 0.00 H new ATOM 0 HH21 ARG A 17 6.851 -15.602 -0.365 1.00 0.00 H new ATOM 0 HH22 ARG A 17 7.856 -16.332 -1.621 1.00 0.00 H new ATOM 287 N TYR A 18 3.533 -7.618 -1.077 1.00 0.00 N ATOM 288 CA TYR A 18 3.608 -6.112 -1.091 1.00 0.00 C ATOM 289 C TYR A 18 3.357 -5.578 0.322 1.00 0.00 C ATOM 290 O TYR A 18 4.088 -4.732 0.805 1.00 0.00 O ATOM 291 CB TYR A 18 2.510 -5.604 -2.042 1.00 0.00 C ATOM 292 CG TYR A 18 3.078 -5.380 -3.423 1.00 0.00 C ATOM 293 CD1 TYR A 18 3.678 -6.437 -4.116 1.00 0.00 C ATOM 294 CD2 TYR A 18 2.993 -4.114 -4.012 1.00 0.00 C ATOM 295 CE1 TYR A 18 4.195 -6.227 -5.399 1.00 0.00 C ATOM 296 CE2 TYR A 18 3.509 -3.903 -5.295 1.00 0.00 C ATOM 297 CZ TYR A 18 4.111 -4.959 -5.990 1.00 0.00 C ATOM 298 OH TYR A 18 4.620 -4.753 -7.256 1.00 0.00 O ATOM 0 H TYR A 18 2.786 -8.029 -1.637 1.00 0.00 H new ATOM 0 HA TYR A 18 4.589 -5.773 -1.423 1.00 0.00 H new ATOM 0 HB2 TYR A 18 1.696 -6.327 -2.089 1.00 0.00 H new ATOM 0 HB3 TYR A 18 2.089 -4.674 -1.659 1.00 0.00 H new ATOM 0 HD1 TYR A 18 3.742 -7.414 -3.661 1.00 0.00 H new ATOM 0 HD2 TYR A 18 2.529 -3.299 -3.476 1.00 0.00 H new ATOM 0 HE1 TYR A 18 4.659 -7.042 -5.934 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.443 -2.926 -5.750 1.00 0.00 H new ATOM 0 HH TYR A 18 4.479 -3.819 -7.517 1.00 0.00 H new ATOM 308 N ALA A 19 2.341 -6.072 0.999 1.00 0.00 N ATOM 309 CA ALA A 19 2.077 -5.582 2.395 1.00 0.00 C ATOM 310 C ALA A 19 3.106 -6.193 3.351 1.00 0.00 C ATOM 311 O ALA A 19 3.599 -5.523 4.238 1.00 0.00 O ATOM 312 CB ALA A 19 0.663 -6.041 2.775 1.00 0.00 C ATOM 0 H ALA A 19 1.694 -6.781 0.653 1.00 0.00 H new ATOM 0 HA ALA A 19 2.155 -4.497 2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 19 0.431 -5.705 3.785 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -0.058 -5.616 2.076 1.00 0.00 H new ATOM 0 HB3 ALA A 19 0.610 -7.129 2.734 1.00 0.00 H new ATOM 318 N THR A 20 3.443 -7.457 3.180 1.00 0.00 N ATOM 319 CA THR A 20 4.451 -8.078 4.103 1.00 0.00 C ATOM 320 C THR A 20 5.863 -7.564 3.803 1.00 0.00 C ATOM 321 O THR A 20 6.683 -7.498 4.698 1.00 0.00 O ATOM 322 CB THR A 20 4.360 -9.600 3.920 1.00 0.00 C ATOM 323 OG1 THR A 20 3.778 -9.895 2.656 1.00 0.00 O ATOM 324 CG2 THR A 20 3.490 -10.183 5.038 1.00 0.00 C ATOM 0 H THR A 20 3.071 -8.072 2.456 1.00 0.00 H new ATOM 0 HA THR A 20 4.239 -7.809 5.138 1.00 0.00 H new ATOM 0 HB THR A 20 5.357 -10.038 3.963 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.812 -9.736 2.696 1.00 0.00 H new ATOM 0 HG21 THR A 20 3.419 -11.264 4.917 1.00 0.00 H new ATOM 0 HG22 THR A 20 3.939 -9.955 6.005 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.493 -9.746 4.988 1.00 0.00 H new ATOM 332 N ALA A 21 6.163 -7.164 2.582 1.00 0.00 N ATOM 333 CA ALA A 21 7.538 -6.625 2.314 1.00 0.00 C ATOM 334 C ALA A 21 7.630 -5.162 2.783 1.00 0.00 C ATOM 335 O ALA A 21 8.714 -4.657 3.007 1.00 0.00 O ATOM 336 CB ALA A 21 7.776 -6.730 0.801 1.00 0.00 C ATOM 0 H ALA A 21 5.532 -7.187 1.781 1.00 0.00 H new ATOM 0 HA ALA A 21 8.296 -7.190 2.857 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.768 -6.347 0.561 1.00 0.00 H new ATOM 0 HB2 ALA A 21 7.705 -7.773 0.493 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.024 -6.144 0.273 1.00 0.00 H new ATOM 342 N LEU A 22 6.510 -4.477 2.966 1.00 0.00 N ATOM 343 CA LEU A 22 6.583 -3.064 3.457 1.00 0.00 C ATOM 344 C LEU A 22 6.335 -3.059 4.962 1.00 0.00 C ATOM 345 O LEU A 22 7.033 -2.391 5.704 1.00 0.00 O ATOM 346 CB LEU A 22 5.484 -2.286 2.721 1.00 0.00 C ATOM 347 CG LEU A 22 5.502 -0.817 3.174 1.00 0.00 C ATOM 348 CD1 LEU A 22 6.104 0.059 2.072 1.00 0.00 C ATOM 349 CD2 LEU A 22 4.073 -0.350 3.467 1.00 0.00 C ATOM 0 H LEU A 22 5.570 -4.835 2.798 1.00 0.00 H new ATOM 0 HA LEU A 22 7.556 -2.610 3.269 1.00 0.00 H new ATOM 0 HB2 LEU A 22 5.640 -2.347 1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.510 -2.729 2.928 1.00 0.00 H new ATOM 0 HG LEU A 22 6.107 -0.731 4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.114 1.099 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.124 -0.266 1.865 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.503 -0.031 1.167 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.089 0.692 3.788 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.468 -0.443 2.565 1.00 0.00 H new ATOM 0 HD23 LEU A 22 3.644 -0.966 4.257 1.00 0.00 H new ATOM 361 N TYR A 23 5.373 -3.826 5.433 1.00 0.00 N ATOM 362 CA TYR A 23 5.135 -3.874 6.896 1.00 0.00 C ATOM 363 C TYR A 23 6.182 -4.802 7.567 1.00 0.00 C ATOM 364 O TYR A 23 6.340 -4.749 8.767 1.00 0.00 O ATOM 365 CB TYR A 23 3.652 -4.327 7.083 1.00 0.00 C ATOM 366 CG TYR A 23 3.536 -5.659 7.779 1.00 0.00 C ATOM 367 CD1 TYR A 23 3.835 -5.760 9.134 1.00 0.00 C ATOM 368 CD2 TYR A 23 3.155 -6.787 7.058 1.00 0.00 C ATOM 369 CE1 TYR A 23 3.747 -6.991 9.779 1.00 0.00 C ATOM 370 CE2 TYR A 23 3.071 -8.021 7.689 1.00 0.00 C ATOM 371 CZ TYR A 23 3.364 -8.130 9.058 1.00 0.00 C ATOM 372 OH TYR A 23 3.281 -9.356 9.689 1.00 0.00 O ATOM 0 H TYR A 23 4.756 -4.409 4.867 1.00 0.00 H new ATOM 0 HA TYR A 23 5.264 -2.909 7.386 1.00 0.00 H new ATOM 0 HB2 TYR A 23 3.115 -3.573 7.658 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.169 -4.387 6.108 1.00 0.00 H new ATOM 0 HD1 TYR A 23 4.136 -4.882 9.687 1.00 0.00 H new ATOM 0 HD2 TYR A 23 2.924 -6.702 6.006 1.00 0.00 H new ATOM 0 HE1 TYR A 23 3.973 -7.068 10.832 1.00 0.00 H new ATOM 0 HE2 TYR A 23 2.780 -8.896 7.127 1.00 0.00 H new ATOM 0 HH TYR A 23 4.183 -9.677 9.901 1.00 0.00 H new ATOM 382 N SER A 24 6.924 -5.632 6.819 1.00 0.00 N ATOM 383 CA SER A 24 7.967 -6.505 7.494 1.00 0.00 C ATOM 384 C SER A 24 8.859 -5.611 8.370 1.00 0.00 C ATOM 385 O SER A 24 9.151 -5.940 9.505 1.00 0.00 O ATOM 386 CB SER A 24 8.797 -7.161 6.383 1.00 0.00 C ATOM 387 OG SER A 24 10.119 -7.384 6.852 1.00 0.00 O ATOM 0 H SER A 24 6.851 -5.735 5.807 1.00 0.00 H new ATOM 0 HA SER A 24 7.511 -7.270 8.122 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.342 -8.105 6.083 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.815 -6.521 5.501 1.00 0.00 H new ATOM 0 HG SER A 24 10.651 -7.804 6.144 1.00 0.00 H new ATOM 393 N ALA A 25 9.228 -4.447 7.870 1.00 0.00 N ATOM 394 CA ALA A 25 10.025 -3.504 8.716 1.00 0.00 C ATOM 395 C ALA A 25 9.064 -2.911 9.758 1.00 0.00 C ATOM 396 O ALA A 25 9.403 -2.783 10.918 1.00 0.00 O ATOM 397 CB ALA A 25 10.564 -2.405 7.786 1.00 0.00 C ATOM 0 H ALA A 25 9.014 -4.118 6.929 1.00 0.00 H new ATOM 0 HA ALA A 25 10.858 -3.990 9.224 1.00 0.00 H new ATOM 0 HB1 ALA A 25 11.153 -1.694 8.366 1.00 0.00 H new ATOM 0 HB2 ALA A 25 11.192 -2.855 7.017 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.730 -1.886 7.315 1.00 0.00 H new ATOM 403 N ALA A 26 7.847 -2.571 9.354 1.00 0.00 N ATOM 404 CA ALA A 26 6.857 -2.011 10.349 1.00 0.00 C ATOM 405 C ALA A 26 6.662 -2.999 11.517 1.00 0.00 C ATOM 406 O ALA A 26 6.526 -2.592 12.653 1.00 0.00 O ATOM 407 CB ALA A 26 5.529 -1.828 9.597 1.00 0.00 C ATOM 0 H ALA A 26 7.504 -2.656 8.397 1.00 0.00 H new ATOM 0 HA ALA A 26 7.212 -1.067 10.762 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.779 -1.424 10.277 1.00 0.00 H new ATOM 0 HB2 ALA A 26 5.674 -1.139 8.765 1.00 0.00 H new ATOM 0 HB3 ALA A 26 5.191 -2.791 9.215 1.00 0.00 H new ATOM 413 N SER A 27 6.655 -4.297 11.254 1.00 0.00 N ATOM 414 CA SER A 27 6.474 -5.297 12.378 1.00 0.00 C ATOM 415 C SER A 27 7.553 -5.059 13.447 1.00 0.00 C ATOM 416 O SER A 27 7.271 -5.062 14.630 1.00 0.00 O ATOM 417 CB SER A 27 6.649 -6.692 11.760 1.00 0.00 C ATOM 418 OG SER A 27 6.410 -7.679 12.755 1.00 0.00 O ATOM 0 H SER A 27 6.765 -4.703 10.325 1.00 0.00 H new ATOM 0 HA SER A 27 5.495 -5.199 12.848 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.958 -6.823 10.928 1.00 0.00 H new ATOM 0 HB3 SER A 27 7.656 -6.801 11.358 1.00 0.00 H new ATOM 0 HG SER A 27 6.945 -8.476 12.560 1.00 0.00 H new ATOM 424 N LYS A 28 8.785 -4.828 13.034 1.00 0.00 N ATOM 425 CA LYS A 28 9.870 -4.562 14.043 1.00 0.00 C ATOM 426 C LYS A 28 9.646 -3.177 14.671 1.00 0.00 C ATOM 427 O LYS A 28 9.827 -2.998 15.861 1.00 0.00 O ATOM 428 CB LYS A 28 11.205 -4.594 13.282 1.00 0.00 C ATOM 429 CG LYS A 28 12.294 -5.180 14.183 1.00 0.00 C ATOM 430 CD LYS A 28 13.671 -4.835 13.613 1.00 0.00 C ATOM 431 CE LYS A 28 14.694 -5.868 14.090 1.00 0.00 C ATOM 432 NZ LYS A 28 16.007 -5.167 14.024 1.00 0.00 N ATOM 0 H LYS A 28 9.082 -4.812 12.058 1.00 0.00 H new ATOM 0 HA LYS A 28 9.868 -5.304 14.841 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.105 -5.194 12.377 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.481 -3.587 12.968 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.197 -4.782 15.193 1.00 0.00 H new ATOM 0 HG3 LYS A 28 12.179 -6.262 14.254 1.00 0.00 H new ATOM 0 HD2 LYS A 28 13.633 -4.822 12.524 1.00 0.00 H new ATOM 0 HD3 LYS A 28 13.969 -3.837 13.934 1.00 0.00 H new ATOM 0 HE2 LYS A 28 14.475 -6.202 15.104 1.00 0.00 H new ATOM 0 HE3 LYS A 28 14.687 -6.754 13.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 16.761 -5.812 14.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 16.192 -4.867 13.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 15.986 -4.332 14.644 1.00 0.00 H new ATOM 446 N GLN A 29 9.229 -2.198 13.886 1.00 0.00 N ATOM 447 CA GLN A 29 8.974 -0.834 14.468 1.00 0.00 C ATOM 448 C GLN A 29 7.592 -0.765 15.161 1.00 0.00 C ATOM 449 O GLN A 29 7.256 0.244 15.750 1.00 0.00 O ATOM 450 CB GLN A 29 9.029 0.156 13.295 1.00 0.00 C ATOM 451 CG GLN A 29 9.541 1.510 13.791 1.00 0.00 C ATOM 452 CD GLN A 29 11.072 1.535 13.721 1.00 0.00 C ATOM 453 OE1 GLN A 29 11.737 1.360 14.722 1.00 0.00 O ATOM 454 NE2 GLN A 29 11.670 1.748 12.573 1.00 0.00 N ATOM 0 H GLN A 29 9.057 -2.285 12.884 1.00 0.00 H new ATOM 0 HA GLN A 29 9.718 -0.599 15.229 1.00 0.00 H new ATOM 0 HB2 GLN A 29 9.684 -0.227 12.512 1.00 0.00 H new ATOM 0 HB3 GLN A 29 8.038 0.269 12.855 1.00 0.00 H new ATOM 0 HG2 GLN A 29 9.125 2.313 13.182 1.00 0.00 H new ATOM 0 HG3 GLN A 29 9.210 1.683 14.815 1.00 0.00 H new ATOM 0 HE21 GLN A 29 11.116 1.896 11.729 1.00 0.00 H new ATOM 0 HE22 GLN A 29 12.689 1.766 12.524 1.00 0.00 H new ATOM 463 N ASN A 30 6.776 -1.815 15.098 1.00 0.00 N ATOM 464 CA ASN A 30 5.423 -1.791 15.751 1.00 0.00 C ATOM 465 C ASN A 30 4.508 -0.804 15.022 1.00 0.00 C ATOM 466 O ASN A 30 3.750 -0.083 15.643 1.00 0.00 O ATOM 467 CB ASN A 30 5.634 -1.369 17.215 1.00 0.00 C ATOM 468 CG ASN A 30 4.497 -1.927 18.079 1.00 0.00 C ATOM 469 OD1 ASN A 30 4.666 -2.930 18.742 1.00 0.00 O ATOM 470 ND2 ASN A 30 3.335 -1.320 18.102 1.00 0.00 N ATOM 0 H ASN A 30 7.000 -2.686 14.618 1.00 0.00 H new ATOM 0 HA ASN A 30 4.946 -2.770 15.707 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.594 -1.738 17.576 1.00 0.00 H new ATOM 0 HB3 ASN A 30 5.662 -0.282 17.290 1.00 0.00 H new ATOM 0 HD21 ASN A 30 2.577 -1.691 18.675 1.00 0.00 H new ATOM 0 HD22 ASN A 30 3.189 -0.477 17.547 1.00 0.00 H new ATOM 477 N LYS A 31 4.561 -0.773 13.705 1.00 0.00 N ATOM 478 CA LYS A 31 3.673 0.162 12.950 1.00 0.00 C ATOM 479 C LYS A 31 2.536 -0.593 12.225 1.00 0.00 C ATOM 480 O LYS A 31 1.877 -0.021 11.379 1.00 0.00 O ATOM 481 CB LYS A 31 4.584 0.862 11.939 1.00 0.00 C ATOM 482 CG LYS A 31 5.062 2.197 12.519 1.00 0.00 C ATOM 483 CD LYS A 31 6.275 1.957 13.420 1.00 0.00 C ATOM 484 CE LYS A 31 6.256 2.956 14.579 1.00 0.00 C ATOM 485 NZ LYS A 31 5.424 2.308 15.630 1.00 0.00 N ATOM 0 H LYS A 31 5.176 -1.350 13.131 1.00 0.00 H new ATOM 0 HA LYS A 31 3.185 0.868 13.622 1.00 0.00 H new ATOM 0 HB2 LYS A 31 5.439 0.228 11.705 1.00 0.00 H new ATOM 0 HB3 LYS A 31 4.047 1.031 11.006 1.00 0.00 H new ATOM 0 HG2 LYS A 31 5.324 2.883 11.713 1.00 0.00 H new ATOM 0 HG3 LYS A 31 4.260 2.666 13.089 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.259 0.937 13.805 1.00 0.00 H new ATOM 0 HD3 LYS A 31 7.195 2.067 12.846 1.00 0.00 H new ATOM 0 HE2 LYS A 31 7.263 3.159 14.942 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.830 3.911 14.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 5.265 2.978 16.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.509 2.026 15.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 5.916 1.467 15.993 1.00 0.00 H new ATOM 499 N LEU A 32 2.273 -1.859 12.552 1.00 0.00 N ATOM 500 CA LEU A 32 1.143 -2.608 11.872 1.00 0.00 C ATOM 501 C LEU A 32 -0.130 -1.744 11.870 1.00 0.00 C ATOM 502 O LEU A 32 -0.863 -1.722 10.902 1.00 0.00 O ATOM 503 CB LEU A 32 0.934 -3.893 12.704 1.00 0.00 C ATOM 504 CG LEU A 32 1.843 -5.032 12.195 1.00 0.00 C ATOM 505 CD1 LEU A 32 1.271 -5.579 10.888 1.00 0.00 C ATOM 506 CD2 LEU A 32 3.279 -4.532 11.965 1.00 0.00 C ATOM 0 H LEU A 32 2.787 -2.395 13.251 1.00 0.00 H new ATOM 0 HA LEU A 32 1.372 -2.844 10.833 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.150 -3.691 13.753 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.110 -4.202 12.647 1.00 0.00 H new ATOM 0 HG LEU A 32 1.876 -5.819 12.949 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.907 -6.384 10.521 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.266 -5.962 11.063 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.231 -4.781 10.146 1.00 0.00 H new ATOM 0 HD21 LEU A 32 3.898 -5.355 11.607 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.272 -3.734 11.223 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.687 -4.153 12.902 1.00 0.00 H new ATOM 518 N GLU A 33 -0.368 -0.989 12.926 1.00 0.00 N ATOM 519 CA GLU A 33 -1.570 -0.088 12.931 1.00 0.00 C ATOM 520 C GLU A 33 -1.265 1.120 12.028 1.00 0.00 C ATOM 521 O GLU A 33 -2.096 1.540 11.245 1.00 0.00 O ATOM 522 CB GLU A 33 -1.788 0.362 14.384 1.00 0.00 C ATOM 523 CG GLU A 33 -2.553 -0.723 15.145 1.00 0.00 C ATOM 524 CD GLU A 33 -2.131 -0.710 16.615 1.00 0.00 C ATOM 525 OE1 GLU A 33 -1.127 -1.328 16.929 1.00 0.00 O ATOM 526 OE2 GLU A 33 -2.819 -0.082 17.403 1.00 0.00 O ATOM 0 H GLU A 33 0.207 -0.959 13.768 1.00 0.00 H new ATOM 0 HA GLU A 33 -2.465 -0.588 12.560 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -0.828 0.551 14.865 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -2.345 1.298 14.406 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.626 -0.552 15.062 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.351 -1.700 14.707 1.00 0.00 H new ATOM 533 N GLN A 34 -0.062 1.666 12.112 1.00 0.00 N ATOM 534 CA GLN A 34 0.298 2.830 11.225 1.00 0.00 C ATOM 535 C GLN A 34 0.197 2.428 9.745 1.00 0.00 C ATOM 536 O GLN A 34 -0.065 3.263 8.899 1.00 0.00 O ATOM 537 CB GLN A 34 1.747 3.221 11.569 1.00 0.00 C ATOM 538 CG GLN A 34 1.803 3.799 12.987 1.00 0.00 C ATOM 539 CD GLN A 34 0.963 5.083 13.060 1.00 0.00 C ATOM 540 OE1 GLN A 34 1.427 6.199 12.553 1.00 0.00 O flip ATOM 541 NE2 GLN A 34 -0.131 5.071 13.587 1.00 0.00 N flip ATOM 0 H GLN A 34 0.674 1.359 12.748 1.00 0.00 H new ATOM 0 HA GLN A 34 -0.384 3.665 11.387 1.00 0.00 H new ATOM 0 HB2 GLN A 34 2.396 2.349 11.496 1.00 0.00 H new ATOM 0 HB3 GLN A 34 2.116 3.954 10.852 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.428 3.067 13.703 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.836 4.013 13.262 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -0.497 4.205 13.983 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -0.684 5.927 13.633 1.00 0.00 H new ATOM 550 N VAL A 35 0.412 1.168 9.411 1.00 0.00 N ATOM 551 CA VAL A 35 0.330 0.762 7.970 1.00 0.00 C ATOM 552 C VAL A 35 -1.013 0.065 7.679 1.00 0.00 C ATOM 553 O VAL A 35 -1.621 0.307 6.654 1.00 0.00 O ATOM 554 CB VAL A 35 1.505 -0.211 7.702 1.00 0.00 C ATOM 555 CG1 VAL A 35 1.847 -0.179 6.212 1.00 0.00 C ATOM 556 CG2 VAL A 35 2.763 0.176 8.510 1.00 0.00 C ATOM 0 H VAL A 35 0.637 0.418 10.065 1.00 0.00 H new ATOM 0 HA VAL A 35 0.393 1.637 7.323 1.00 0.00 H new ATOM 0 HB VAL A 35 1.195 -1.209 8.011 1.00 0.00 H new ATOM 0 HG11 VAL A 35 2.674 -0.861 6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 35 0.976 -0.486 5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 35 2.135 0.833 5.926 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.565 -0.530 8.295 1.00 0.00 H new ATOM 0 HG22 VAL A 35 3.080 1.181 8.231 1.00 0.00 H new ATOM 0 HG23 VAL A 35 2.533 0.151 9.575 1.00 0.00 H new ATOM 566 N GLU A 36 -1.486 -0.799 8.559 1.00 0.00 N ATOM 567 CA GLU A 36 -2.799 -1.496 8.290 1.00 0.00 C ATOM 568 C GLU A 36 -3.987 -0.515 8.346 1.00 0.00 C ATOM 569 O GLU A 36 -5.029 -0.792 7.779 1.00 0.00 O ATOM 570 CB GLU A 36 -2.968 -2.569 9.378 1.00 0.00 C ATOM 571 CG GLU A 36 -4.004 -3.599 8.923 1.00 0.00 C ATOM 572 CD GLU A 36 -4.634 -4.264 10.148 1.00 0.00 C ATOM 573 OE1 GLU A 36 -3.938 -5.013 10.814 1.00 0.00 O ATOM 574 OE2 GLU A 36 -5.801 -4.014 10.398 1.00 0.00 O ATOM 0 H GLU A 36 -1.030 -1.049 9.437 1.00 0.00 H new ATOM 0 HA GLU A 36 -2.787 -1.930 7.290 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -2.014 -3.059 9.572 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -3.285 -2.107 10.313 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.774 -3.115 8.322 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -3.532 -4.351 8.290 1.00 0.00 H new ATOM 581 N LYS A 37 -3.864 0.614 9.021 1.00 0.00 N ATOM 582 CA LYS A 37 -5.026 1.563 9.085 1.00 0.00 C ATOM 583 C LYS A 37 -4.900 2.653 8.016 1.00 0.00 C ATOM 584 O LYS A 37 -5.889 3.045 7.423 1.00 0.00 O ATOM 585 CB LYS A 37 -5.001 2.178 10.490 1.00 0.00 C ATOM 586 CG LYS A 37 -6.257 3.026 10.698 1.00 0.00 C ATOM 587 CD LYS A 37 -6.321 3.496 12.154 1.00 0.00 C ATOM 588 CE LYS A 37 -7.658 4.194 12.407 1.00 0.00 C ATOM 589 NZ LYS A 37 -7.657 4.511 13.863 1.00 0.00 N ATOM 0 H LYS A 37 -3.025 0.912 9.520 1.00 0.00 H new ATOM 0 HA LYS A 37 -5.966 1.045 8.896 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -4.952 1.391 11.242 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -4.110 2.793 10.614 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.244 3.885 10.028 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -7.146 2.445 10.453 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -6.210 2.646 12.827 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -5.497 4.178 12.363 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -7.751 5.099 11.806 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.496 3.549 12.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -8.544 4.992 14.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.574 3.630 14.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.852 5.132 14.083 1.00 0.00 H new ATOM 603 N GLU A 38 -3.705 3.134 7.738 1.00 0.00 N ATOM 604 CA GLU A 38 -3.577 4.182 6.674 1.00 0.00 C ATOM 605 C GLU A 38 -3.627 3.492 5.304 1.00 0.00 C ATOM 606 O GLU A 38 -4.284 3.963 4.395 1.00 0.00 O ATOM 607 CB GLU A 38 -2.238 4.892 6.910 1.00 0.00 C ATOM 608 CG GLU A 38 -2.473 6.112 7.806 1.00 0.00 C ATOM 609 CD GLU A 38 -2.604 5.666 9.264 1.00 0.00 C ATOM 610 OE1 GLU A 38 -1.957 4.699 9.629 1.00 0.00 O ATOM 611 OE2 GLU A 38 -3.351 6.300 9.991 1.00 0.00 O ATOM 0 H GLU A 38 -2.835 2.853 8.190 1.00 0.00 H new ATOM 0 HA GLU A 38 -4.383 4.915 6.705 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -1.528 4.211 7.379 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.803 5.201 5.960 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.646 6.815 7.704 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.376 6.636 7.494 1.00 0.00 H new ATOM 618 N LEU A 39 -2.975 2.352 5.154 1.00 0.00 N ATOM 619 CA LEU A 39 -3.044 1.629 3.833 1.00 0.00 C ATOM 620 C LEU A 39 -4.508 1.271 3.518 1.00 0.00 C ATOM 621 O LEU A 39 -4.916 1.297 2.372 1.00 0.00 O ATOM 622 CB LEU A 39 -2.205 0.348 3.979 1.00 0.00 C ATOM 623 CG LEU A 39 -2.179 -0.400 2.646 1.00 0.00 C ATOM 624 CD1 LEU A 39 -1.206 0.292 1.691 1.00 0.00 C ATOM 625 CD2 LEU A 39 -1.724 -1.843 2.881 1.00 0.00 C ATOM 0 H LEU A 39 -2.410 1.900 5.873 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.663 2.249 3.021 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.190 0.599 4.287 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -2.626 -0.289 4.757 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.178 -0.399 2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.188 -0.241 0.741 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.529 1.320 1.524 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.207 0.292 2.126 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -1.705 -2.378 1.931 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -0.725 -1.843 3.318 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -2.417 -2.337 3.562 1.00 0.00 H new ATOM 637 N LEU A 40 -5.314 0.950 4.522 1.00 0.00 N ATOM 638 CA LEU A 40 -6.758 0.611 4.236 1.00 0.00 C ATOM 639 C LEU A 40 -7.442 1.787 3.514 1.00 0.00 C ATOM 640 O LEU A 40 -8.263 1.582 2.639 1.00 0.00 O ATOM 641 CB LEU A 40 -7.434 0.361 5.593 1.00 0.00 C ATOM 642 CG LEU A 40 -8.664 -0.527 5.395 1.00 0.00 C ATOM 643 CD1 LEU A 40 -9.167 -1.015 6.754 1.00 0.00 C ATOM 644 CD2 LEU A 40 -9.767 0.277 4.703 1.00 0.00 C ATOM 0 H LEU A 40 -5.040 0.909 5.504 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.834 -0.267 3.594 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.733 -0.117 6.278 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -7.726 1.309 6.046 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.396 -1.385 4.778 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -10.043 -1.648 6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.382 -1.588 7.248 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -9.435 -0.158 7.372 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -10.644 -0.355 4.562 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.034 1.135 5.320 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.410 0.625 3.734 1.00 0.00 H new ATOM 656 N ARG A 41 -7.111 3.018 3.864 1.00 0.00 N ATOM 657 CA ARG A 41 -7.758 4.194 3.172 1.00 0.00 C ATOM 658 C ARG A 41 -7.517 4.111 1.654 1.00 0.00 C ATOM 659 O ARG A 41 -8.395 4.426 0.872 1.00 0.00 O ATOM 660 CB ARG A 41 -7.098 5.462 3.741 1.00 0.00 C ATOM 661 CG ARG A 41 -8.080 6.632 3.649 1.00 0.00 C ATOM 662 CD ARG A 41 -8.837 6.769 4.971 1.00 0.00 C ATOM 663 NE ARG A 41 -9.481 8.111 4.908 1.00 0.00 N ATOM 664 CZ ARG A 41 -9.008 9.094 5.625 1.00 0.00 C ATOM 665 NH1 ARG A 41 -8.773 8.921 6.897 1.00 0.00 N ATOM 666 NH2 ARG A 41 -8.772 10.251 5.069 1.00 0.00 N ATOM 0 H ARG A 41 -6.432 3.257 4.587 1.00 0.00 H new ATOM 0 HA ARG A 41 -8.835 4.203 3.340 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -6.806 5.299 4.778 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.188 5.692 3.186 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -7.543 7.555 3.428 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -8.782 6.468 2.831 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -9.580 5.979 5.084 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -8.161 6.695 5.823 1.00 0.00 H new ATOM 0 HE ARG A 41 -10.290 8.261 4.306 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -8.959 8.017 7.332 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -8.403 9.690 7.456 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.957 10.386 4.075 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.402 11.020 5.628 1.00 0.00 H new ATOM 680 N VAL A 42 -6.343 3.683 1.228 1.00 0.00 N ATOM 681 CA VAL A 42 -6.079 3.581 -0.254 1.00 0.00 C ATOM 682 C VAL A 42 -7.111 2.637 -0.902 1.00 0.00 C ATOM 683 O VAL A 42 -7.579 2.890 -1.997 1.00 0.00 O ATOM 684 CB VAL A 42 -4.651 3.024 -0.411 1.00 0.00 C ATOM 685 CG1 VAL A 42 -4.324 2.830 -1.895 1.00 0.00 C ATOM 686 CG2 VAL A 42 -3.653 4.013 0.198 1.00 0.00 C ATOM 0 H VAL A 42 -5.568 3.404 1.830 1.00 0.00 H new ATOM 0 HA VAL A 42 -6.167 4.550 -0.746 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.584 2.064 0.100 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.313 2.436 -1.996 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.033 2.128 -2.335 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.394 3.788 -2.411 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.641 3.623 0.089 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -3.730 4.971 -0.317 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.877 4.151 1.256 1.00 0.00 H new ATOM 696 N GLY A 43 -7.478 1.560 -0.235 1.00 0.00 N ATOM 697 CA GLY A 43 -8.483 0.625 -0.819 1.00 0.00 C ATOM 698 C GLY A 43 -9.834 1.348 -0.934 1.00 0.00 C ATOM 699 O GLY A 43 -10.478 1.300 -1.965 1.00 0.00 O ATOM 0 H GLY A 43 -7.122 1.296 0.684 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -8.154 0.284 -1.801 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -8.582 -0.260 -0.191 1.00 0.00 H new ATOM 703 N GLN A 44 -10.267 2.027 0.113 1.00 0.00 N ATOM 704 CA GLN A 44 -11.584 2.760 0.035 1.00 0.00 C ATOM 705 C GLN A 44 -11.544 3.790 -1.108 1.00 0.00 C ATOM 706 O GLN A 44 -12.519 3.976 -1.810 1.00 0.00 O ATOM 707 CB GLN A 44 -11.776 3.475 1.382 1.00 0.00 C ATOM 708 CG GLN A 44 -13.249 3.844 1.560 1.00 0.00 C ATOM 709 CD GLN A 44 -13.387 4.885 2.678 1.00 0.00 C ATOM 710 OE1 GLN A 44 -14.009 5.912 2.489 1.00 0.00 O ATOM 711 NE2 GLN A 44 -12.830 4.668 3.845 1.00 0.00 N ATOM 0 H GLN A 44 -9.776 2.105 1.003 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.406 2.071 -0.162 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.451 2.829 2.198 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.158 4.372 1.420 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.650 4.241 0.628 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.830 2.955 1.804 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.307 3.808 4.008 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.920 5.360 4.589 1.00 0.00 H new ATOM 720 N ILE A 45 -10.420 4.457 -1.309 1.00 0.00 N ATOM 721 CA ILE A 45 -10.336 5.470 -2.428 1.00 0.00 C ATOM 722 C ILE A 45 -10.651 4.781 -3.765 1.00 0.00 C ATOM 723 O ILE A 45 -11.362 5.327 -4.587 1.00 0.00 O ATOM 724 CB ILE A 45 -8.892 6.023 -2.398 1.00 0.00 C ATOM 725 CG1 ILE A 45 -8.687 6.822 -1.106 1.00 0.00 C ATOM 726 CG2 ILE A 45 -8.633 6.944 -3.596 1.00 0.00 C ATOM 727 CD1 ILE A 45 -7.205 6.817 -0.720 1.00 0.00 C ATOM 0 H ILE A 45 -9.570 4.347 -0.757 1.00 0.00 H new ATOM 0 HA ILE A 45 -11.054 6.282 -2.310 1.00 0.00 H new ATOM 0 HB ILE A 45 -8.199 5.183 -2.444 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -9.033 7.847 -1.243 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -9.283 6.389 -0.302 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -7.611 7.320 -3.552 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -8.775 6.386 -4.521 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -9.329 7.782 -3.568 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.066 7.387 0.199 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.873 5.791 -0.564 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.619 7.270 -1.520 1.00 0.00 H new ATOM 739 N LEU A 46 -10.161 3.577 -3.979 1.00 0.00 N ATOM 740 CA LEU A 46 -10.487 2.870 -5.262 1.00 0.00 C ATOM 741 C LEU A 46 -11.880 2.222 -5.157 1.00 0.00 C ATOM 742 O LEU A 46 -12.581 2.109 -6.146 1.00 0.00 O ATOM 743 CB LEU A 46 -9.402 1.804 -5.483 1.00 0.00 C ATOM 744 CG LEU A 46 -9.685 1.030 -6.780 1.00 0.00 C ATOM 745 CD1 LEU A 46 -9.729 1.994 -7.973 1.00 0.00 C ATOM 746 CD2 LEU A 46 -8.578 -0.001 -7.003 1.00 0.00 C ATOM 0 H LEU A 46 -9.561 3.063 -3.334 1.00 0.00 H new ATOM 0 HA LEU A 46 -10.507 3.564 -6.102 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -8.421 2.277 -5.538 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -9.378 1.117 -4.637 1.00 0.00 H new ATOM 0 HG LEU A 46 -10.649 0.528 -6.693 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.930 1.434 -8.886 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -10.518 2.730 -7.817 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.770 2.504 -8.064 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.775 -0.553 -7.922 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -7.618 0.508 -7.084 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -8.552 -0.694 -6.162 1.00 0.00 H new ATOM 758 N LYS A 47 -12.306 1.821 -3.971 1.00 0.00 N ATOM 759 CA LYS A 47 -13.675 1.220 -3.842 1.00 0.00 C ATOM 760 C LYS A 47 -14.727 2.334 -3.947 1.00 0.00 C ATOM 761 O LYS A 47 -15.835 2.094 -4.389 1.00 0.00 O ATOM 762 CB LYS A 47 -13.741 0.548 -2.461 1.00 0.00 C ATOM 763 CG LYS A 47 -15.088 -0.162 -2.302 1.00 0.00 C ATOM 764 CD LYS A 47 -15.543 -0.076 -0.844 1.00 0.00 C ATOM 765 CE LYS A 47 -17.017 -0.476 -0.745 1.00 0.00 C ATOM 766 NZ LYS A 47 -17.774 0.790 -0.953 1.00 0.00 N ATOM 0 H LYS A 47 -11.772 1.884 -3.104 1.00 0.00 H new ATOM 0 HA LYS A 47 -13.870 0.492 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -12.926 -0.168 -2.354 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -13.616 1.294 -1.676 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -15.832 0.297 -2.954 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.999 -1.205 -2.605 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -14.934 -0.733 -0.223 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.404 0.938 -0.468 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -17.276 -1.219 -1.499 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -17.242 -0.916 0.227 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -18.795 0.597 -0.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.512 1.476 -0.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -17.545 1.182 -1.889 1.00 0.00 H new ATOM 780 N GLU A 48 -14.400 3.560 -3.547 1.00 0.00 N ATOM 781 CA GLU A 48 -15.415 4.668 -3.644 1.00 0.00 C ATOM 782 C GLU A 48 -15.988 4.743 -5.075 1.00 0.00 C ATOM 783 O GLU A 48 -15.245 4.639 -6.028 1.00 0.00 O ATOM 784 CB GLU A 48 -14.670 5.970 -3.309 1.00 0.00 C ATOM 785 CG GLU A 48 -14.783 6.253 -1.809 1.00 0.00 C ATOM 786 CD GLU A 48 -14.785 7.765 -1.573 1.00 0.00 C ATOM 787 OE1 GLU A 48 -15.506 8.453 -2.277 1.00 0.00 O ATOM 788 OE2 GLU A 48 -14.066 8.207 -0.692 1.00 0.00 O ATOM 0 H GLU A 48 -13.493 3.829 -3.167 1.00 0.00 H new ATOM 0 HA GLU A 48 -16.248 4.499 -2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -13.622 5.885 -3.596 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -15.090 6.799 -3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -15.697 5.811 -1.413 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -13.950 5.792 -1.278 1.00 0.00 H new ATOM 795 N PRO A 49 -17.289 4.912 -5.191 1.00 0.00 N ATOM 796 CA PRO A 49 -17.920 4.982 -6.538 1.00 0.00 C ATOM 797 C PRO A 49 -17.570 6.300 -7.251 1.00 0.00 C ATOM 798 O PRO A 49 -17.399 6.321 -8.455 1.00 0.00 O ATOM 799 CB PRO A 49 -19.415 4.904 -6.242 1.00 0.00 C ATOM 800 CG PRO A 49 -19.555 5.409 -4.842 1.00 0.00 C ATOM 801 CD PRO A 49 -18.286 5.053 -4.117 1.00 0.00 C ATOM 0 HA PRO A 49 -17.576 4.189 -7.202 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -19.989 5.513 -6.941 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -19.783 3.882 -6.332 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -19.714 6.487 -4.835 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -20.418 4.957 -4.353 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -18.001 5.829 -3.407 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -18.396 4.128 -3.551 1.00 0.00 H new ATOM 809 N LYS A 50 -17.442 7.395 -6.528 1.00 0.00 N ATOM 810 CA LYS A 50 -17.078 8.692 -7.202 1.00 0.00 C ATOM 811 C LYS A 50 -15.569 8.706 -7.491 1.00 0.00 C ATOM 812 O LYS A 50 -15.132 9.245 -8.490 1.00 0.00 O ATOM 813 CB LYS A 50 -17.450 9.819 -6.225 1.00 0.00 C ATOM 814 CG LYS A 50 -18.971 9.982 -6.187 1.00 0.00 C ATOM 815 CD LYS A 50 -19.371 10.738 -4.919 1.00 0.00 C ATOM 816 CE LYS A 50 -20.776 11.321 -5.093 1.00 0.00 C ATOM 817 NZ LYS A 50 -21.698 10.226 -4.679 1.00 0.00 N ATOM 0 H LYS A 50 -17.571 7.448 -5.518 1.00 0.00 H new ATOM 0 HA LYS A 50 -17.605 8.818 -8.148 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -17.073 9.589 -5.228 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -16.981 10.753 -6.535 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -19.312 10.524 -7.069 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.453 9.005 -6.208 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -19.348 10.067 -4.060 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -18.657 11.537 -4.719 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -20.915 12.209 -4.476 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -20.955 11.619 -6.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -22.683 10.548 -4.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -21.547 9.397 -5.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -21.508 9.968 -3.690 1.00 0.00 H new ATOM 831 N MET A 51 -14.769 8.105 -6.632 1.00 0.00 N ATOM 832 CA MET A 51 -13.290 8.074 -6.875 1.00 0.00 C ATOM 833 C MET A 51 -12.906 6.871 -7.762 1.00 0.00 C ATOM 834 O MET A 51 -11.926 6.929 -8.482 1.00 0.00 O ATOM 835 CB MET A 51 -12.643 7.953 -5.490 1.00 0.00 C ATOM 836 CG MET A 51 -11.127 7.982 -5.630 1.00 0.00 C ATOM 837 SD MET A 51 -10.597 9.616 -6.202 1.00 0.00 S ATOM 838 CE MET A 51 -9.049 9.092 -6.980 1.00 0.00 C ATOM 0 H MET A 51 -15.078 7.638 -5.779 1.00 0.00 H new ATOM 0 HA MET A 51 -12.953 8.969 -7.399 1.00 0.00 H new ATOM 0 HB2 MET A 51 -12.975 8.770 -4.850 1.00 0.00 H new ATOM 0 HB3 MET A 51 -12.956 7.025 -5.011 1.00 0.00 H new ATOM 0 HG2 MET A 51 -10.659 7.752 -4.673 1.00 0.00 H new ATOM 0 HG3 MET A 51 -10.803 7.217 -6.335 1.00 0.00 H new ATOM 0 HE1 MET A 51 -8.360 9.935 -7.024 1.00 0.00 H new ATOM 0 HE2 MET A 51 -8.602 8.288 -6.395 1.00 0.00 H new ATOM 0 HE3 MET A 51 -9.252 8.736 -7.990 1.00 0.00 H new ATOM 848 N ALA A 52 -13.658 5.781 -7.727 1.00 0.00 N ATOM 849 CA ALA A 52 -13.295 4.596 -8.590 1.00 0.00 C ATOM 850 C ALA A 52 -13.240 5.014 -10.068 1.00 0.00 C ATOM 851 O ALA A 52 -12.371 4.582 -10.803 1.00 0.00 O ATOM 852 CB ALA A 52 -14.397 3.543 -8.384 1.00 0.00 C ATOM 0 H ALA A 52 -14.491 5.663 -7.150 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.316 4.201 -8.318 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -14.178 2.664 -8.990 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.436 3.258 -7.333 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.359 3.960 -8.683 1.00 0.00 H new ATOM 858 N ALA A 53 -14.155 5.852 -10.513 1.00 0.00 N ATOM 859 CA ALA A 53 -14.130 6.285 -11.958 1.00 0.00 C ATOM 860 C ALA A 53 -12.792 6.976 -12.277 1.00 0.00 C ATOM 861 O ALA A 53 -12.229 6.774 -13.335 1.00 0.00 O ATOM 862 CB ALA A 53 -15.292 7.272 -12.149 1.00 0.00 C ATOM 0 H ALA A 53 -14.907 6.250 -9.950 1.00 0.00 H new ATOM 0 HA ALA A 53 -14.233 5.429 -12.625 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -15.313 7.613 -13.184 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -16.233 6.776 -11.911 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -15.155 8.128 -11.488 1.00 0.00 H new ATOM 868 N SER A 54 -12.278 7.787 -11.373 1.00 0.00 N ATOM 869 CA SER A 54 -10.968 8.478 -11.655 1.00 0.00 C ATOM 870 C SER A 54 -9.822 7.455 -11.659 1.00 0.00 C ATOM 871 O SER A 54 -9.020 7.428 -12.574 1.00 0.00 O ATOM 872 CB SER A 54 -10.757 9.503 -10.529 1.00 0.00 C ATOM 873 OG SER A 54 -9.938 10.561 -11.006 1.00 0.00 O ATOM 0 H SER A 54 -12.699 7.998 -10.468 1.00 0.00 H new ATOM 0 HA SER A 54 -10.983 8.965 -12.630 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.717 9.894 -10.193 1.00 0.00 H new ATOM 0 HB3 SER A 54 -10.289 9.025 -9.669 1.00 0.00 H new ATOM 0 HG SER A 54 -9.803 11.218 -10.291 1.00 0.00 H new ATOM 879 N LEU A 55 -9.733 6.612 -10.650 1.00 0.00 N ATOM 880 CA LEU A 55 -8.617 5.597 -10.625 1.00 0.00 C ATOM 881 C LEU A 55 -8.719 4.628 -11.820 1.00 0.00 C ATOM 882 O LEU A 55 -7.717 4.111 -12.278 1.00 0.00 O ATOM 883 CB LEU A 55 -8.753 4.825 -9.303 1.00 0.00 C ATOM 884 CG LEU A 55 -8.181 5.671 -8.162 1.00 0.00 C ATOM 885 CD1 LEU A 55 -8.655 5.114 -6.820 1.00 0.00 C ATOM 886 CD2 LEU A 55 -6.653 5.631 -8.217 1.00 0.00 C ATOM 0 H LEU A 55 -10.371 6.580 -9.855 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.649 6.093 -10.699 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -9.800 4.594 -9.110 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.223 3.875 -9.367 1.00 0.00 H new ATOM 0 HG LEU A 55 -8.525 6.700 -8.268 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -8.246 5.718 -6.010 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -9.744 5.141 -6.779 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -8.314 4.084 -6.712 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.244 6.233 -7.405 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.312 4.601 -8.113 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.313 6.031 -9.172 1.00 0.00 H new ATOM 898 N LEU A 56 -9.909 4.370 -12.334 1.00 0.00 N ATOM 899 CA LEU A 56 -10.031 3.425 -13.499 1.00 0.00 C ATOM 900 C LEU A 56 -10.079 4.188 -14.840 1.00 0.00 C ATOM 901 O LEU A 56 -9.642 3.673 -15.852 1.00 0.00 O ATOM 902 CB LEU A 56 -11.341 2.653 -13.275 1.00 0.00 C ATOM 903 CG LEU A 56 -11.534 1.627 -14.395 1.00 0.00 C ATOM 904 CD1 LEU A 56 -12.348 0.444 -13.868 1.00 0.00 C ATOM 905 CD2 LEU A 56 -12.282 2.282 -15.562 1.00 0.00 C ATOM 0 H LEU A 56 -10.787 4.768 -12.001 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.170 2.759 -13.554 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.317 2.150 -12.308 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -12.183 3.345 -13.254 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.561 1.274 -14.738 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -12.486 -0.287 -14.665 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -11.818 -0.021 -13.037 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -13.321 0.796 -13.526 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -12.420 1.553 -16.360 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -13.255 2.634 -15.219 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -11.703 3.126 -15.937 1.00 0.00 H new ATOM 917 N ASN A 57 -10.616 5.398 -14.872 1.00 0.00 N ATOM 918 CA ASN A 57 -10.690 6.157 -16.181 1.00 0.00 C ATOM 919 C ASN A 57 -9.327 6.177 -16.896 1.00 0.00 C ATOM 920 O ASN A 57 -8.297 6.112 -16.257 1.00 0.00 O ATOM 921 CB ASN A 57 -11.114 7.597 -15.838 1.00 0.00 C ATOM 922 CG ASN A 57 -12.621 7.761 -16.075 1.00 0.00 C ATOM 923 OD1 ASN A 57 -13.046 8.715 -16.695 1.00 0.00 O ATOM 924 ND2 ASN A 57 -13.459 6.867 -15.607 1.00 0.00 N ATOM 0 H ASN A 57 -11.000 5.887 -14.063 1.00 0.00 H new ATOM 0 HA ASN A 57 -11.401 5.675 -16.852 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -10.873 7.820 -14.799 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -10.560 8.306 -16.453 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -14.461 6.975 -15.765 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -13.109 6.063 -15.085 1.00 0.00 H new ATOM 931 N PRO A 58 -9.367 6.284 -18.212 1.00 0.00 N ATOM 932 CA PRO A 58 -8.112 6.333 -19.004 1.00 0.00 C ATOM 933 C PRO A 58 -7.448 7.733 -18.954 1.00 0.00 C ATOM 934 O PRO A 58 -6.378 7.919 -19.504 1.00 0.00 O ATOM 935 CB PRO A 58 -8.572 6.019 -20.424 1.00 0.00 C ATOM 936 CG PRO A 58 -10.012 6.424 -20.478 1.00 0.00 C ATOM 937 CD PRO A 58 -10.560 6.362 -19.074 1.00 0.00 C ATOM 0 HA PRO A 58 -7.362 5.640 -18.623 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -7.982 6.568 -21.158 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -8.454 4.959 -20.649 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -10.111 7.431 -20.883 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -10.572 5.760 -21.136 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -11.159 7.243 -18.843 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -11.205 5.494 -18.938 1.00 0.00 H new ATOM 945 N TYR A 59 -8.053 8.716 -18.305 1.00 0.00 N ATOM 946 CA TYR A 59 -7.419 10.077 -18.243 1.00 0.00 C ATOM 947 C TYR A 59 -6.504 10.180 -17.011 1.00 0.00 C ATOM 948 O TYR A 59 -5.480 10.834 -17.057 1.00 0.00 O ATOM 949 CB TYR A 59 -8.581 11.077 -18.141 1.00 0.00 C ATOM 950 CG TYR A 59 -9.461 10.945 -19.363 1.00 0.00 C ATOM 951 CD1 TYR A 59 -9.192 11.710 -20.504 1.00 0.00 C ATOM 952 CD2 TYR A 59 -10.539 10.049 -19.358 1.00 0.00 C ATOM 953 CE1 TYR A 59 -10.001 11.581 -21.639 1.00 0.00 C ATOM 954 CE2 TYR A 59 -11.346 9.919 -20.494 1.00 0.00 C ATOM 955 CZ TYR A 59 -11.079 10.687 -21.634 1.00 0.00 C ATOM 956 OH TYR A 59 -11.875 10.559 -22.754 1.00 0.00 O ATOM 0 H TYR A 59 -8.948 8.631 -17.823 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.801 10.276 -19.118 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -9.161 10.887 -17.238 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -8.196 12.094 -18.064 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.361 12.399 -20.509 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -10.747 9.459 -18.478 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -9.794 12.171 -22.519 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -12.175 9.226 -20.491 1.00 0.00 H new ATOM 0 HH TYR A 59 -12.576 9.896 -22.583 1.00 0.00 H new ATOM 966 N VAL A 60 -6.855 9.540 -15.907 1.00 0.00 N ATOM 967 CA VAL A 60 -5.973 9.620 -14.679 1.00 0.00 C ATOM 968 C VAL A 60 -4.503 9.276 -15.022 1.00 0.00 C ATOM 969 O VAL A 60 -3.591 9.771 -14.388 1.00 0.00 O ATOM 970 CB VAL A 60 -6.542 8.611 -13.663 1.00 0.00 C ATOM 971 CG1 VAL A 60 -6.499 7.195 -14.246 1.00 0.00 C ATOM 972 CG2 VAL A 60 -5.717 8.655 -12.374 1.00 0.00 C ATOM 0 H VAL A 60 -7.698 8.975 -15.802 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.970 10.632 -14.273 1.00 0.00 H new ATOM 0 HB VAL A 60 -7.576 8.877 -13.444 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -6.903 6.490 -13.520 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -7.095 7.159 -15.158 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -5.468 6.927 -14.476 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.122 7.940 -11.658 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -4.681 8.398 -12.596 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.759 9.658 -11.949 1.00 0.00 H new ATOM 982 N LYS A 61 -4.259 8.437 -16.019 1.00 0.00 N ATOM 983 CA LYS A 61 -2.848 8.080 -16.388 1.00 0.00 C ATOM 984 C LYS A 61 -2.099 7.502 -15.175 1.00 0.00 C ATOM 985 O LYS A 61 -2.631 7.450 -14.082 1.00 0.00 O ATOM 986 CB LYS A 61 -2.192 9.390 -16.856 1.00 0.00 C ATOM 987 CG LYS A 61 -1.963 9.344 -18.370 1.00 0.00 C ATOM 988 CD LYS A 61 -3.135 10.020 -19.086 1.00 0.00 C ATOM 989 CE LYS A 61 -2.634 10.685 -20.370 1.00 0.00 C ATOM 990 NZ LYS A 61 -2.744 9.630 -21.416 1.00 0.00 N ATOM 0 H LYS A 61 -4.978 7.989 -16.587 1.00 0.00 H new ATOM 0 HA LYS A 61 -2.820 7.318 -17.167 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -2.828 10.237 -16.601 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.243 9.537 -16.340 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -1.030 9.848 -18.623 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.868 8.310 -18.703 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -3.904 9.285 -19.321 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -3.593 10.763 -18.434 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -3.236 11.557 -20.624 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.605 11.028 -20.262 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -2.418 10.010 -22.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -2.155 8.815 -21.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -3.735 9.328 -21.501 1.00 0.00 H new ATOM 1004 N ARG A 62 -0.865 7.070 -15.358 1.00 0.00 N ATOM 1005 CA ARG A 62 -0.092 6.503 -14.206 1.00 0.00 C ATOM 1006 C ARG A 62 0.900 7.548 -13.678 1.00 0.00 C ATOM 1007 O ARG A 62 0.950 7.811 -12.490 1.00 0.00 O ATOM 1008 CB ARG A 62 0.653 5.283 -14.758 1.00 0.00 C ATOM 1009 CG ARG A 62 1.413 4.593 -13.624 1.00 0.00 C ATOM 1010 CD ARG A 62 2.487 3.676 -14.213 1.00 0.00 C ATOM 1011 NE ARG A 62 3.730 4.497 -14.219 1.00 0.00 N ATOM 1012 CZ ARG A 62 4.334 4.756 -15.347 1.00 0.00 C ATOM 1013 NH1 ARG A 62 5.236 3.934 -15.809 1.00 0.00 N ATOM 1014 NH2 ARG A 62 4.036 5.838 -16.013 1.00 0.00 N ATOM 0 H ARG A 62 -0.368 7.087 -16.249 1.00 0.00 H new ATOM 0 HA ARG A 62 -0.743 6.225 -13.377 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -0.053 4.588 -15.213 1.00 0.00 H new ATOM 0 HB3 ARG A 62 1.347 5.591 -15.541 1.00 0.00 H new ATOM 0 HG2 ARG A 62 1.872 5.338 -12.974 1.00 0.00 H new ATOM 0 HG3 ARG A 62 0.723 4.015 -13.009 1.00 0.00 H new ATOM 0 HD2 ARG A 62 2.611 2.776 -13.611 1.00 0.00 H new ATOM 0 HD3 ARG A 62 2.222 3.353 -15.220 1.00 0.00 H new ATOM 0 HE ARG A 62 4.109 4.856 -13.343 1.00 0.00 H new ATOM 0 HH11 ARG A 62 5.470 3.088 -15.289 1.00 0.00 H new ATOM 0 HH12 ARG A 62 5.707 4.137 -16.690 1.00 0.00 H new ATOM 0 HH21 ARG A 62 3.331 6.481 -15.652 1.00 0.00 H new ATOM 0 HH22 ARG A 62 4.508 6.041 -16.894 1.00 0.00 H new ATOM 1028 N SER A 63 1.687 8.159 -14.546 1.00 0.00 N ATOM 1029 CA SER A 63 2.666 9.203 -14.061 1.00 0.00 C ATOM 1030 C SER A 63 1.909 10.305 -13.297 1.00 0.00 C ATOM 1031 O SER A 63 2.365 10.776 -12.272 1.00 0.00 O ATOM 1032 CB SER A 63 3.344 9.793 -15.306 1.00 0.00 C ATOM 1033 OG SER A 63 2.355 10.365 -16.152 1.00 0.00 O ATOM 0 H SER A 63 1.696 7.985 -15.551 1.00 0.00 H new ATOM 0 HA SER A 63 3.405 8.770 -13.388 1.00 0.00 H new ATOM 0 HB2 SER A 63 4.071 10.550 -15.014 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.890 9.015 -15.840 1.00 0.00 H new ATOM 0 HG SER A 63 2.784 10.744 -16.947 1.00 0.00 H new ATOM 1039 N VAL A 64 0.749 10.707 -13.780 1.00 0.00 N ATOM 1040 CA VAL A 64 -0.033 11.768 -13.051 1.00 0.00 C ATOM 1041 C VAL A 64 -0.446 11.233 -11.669 1.00 0.00 C ATOM 1042 O VAL A 64 -0.398 11.949 -10.686 1.00 0.00 O ATOM 1043 CB VAL A 64 -1.278 12.070 -13.908 1.00 0.00 C ATOM 1044 CG1 VAL A 64 -2.128 13.151 -13.233 1.00 0.00 C ATOM 1045 CG2 VAL A 64 -0.835 12.567 -15.287 1.00 0.00 C ATOM 0 H VAL A 64 0.316 10.353 -14.633 1.00 0.00 H new ATOM 0 HA VAL A 64 0.556 12.673 -12.901 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.869 11.160 -14.013 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.006 13.359 -13.845 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -2.445 12.803 -12.250 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -1.539 14.061 -13.123 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.713 12.782 -15.896 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.242 13.474 -15.173 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.234 11.799 -15.775 1.00 0.00 H new ATOM 1055 N LYS A 65 -0.845 9.977 -11.580 1.00 0.00 N ATOM 1056 CA LYS A 65 -1.251 9.414 -10.241 1.00 0.00 C ATOM 1057 C LYS A 65 -0.087 9.522 -9.241 1.00 0.00 C ATOM 1058 O LYS A 65 -0.301 9.770 -8.070 1.00 0.00 O ATOM 1059 CB LYS A 65 -1.609 7.935 -10.472 1.00 0.00 C ATOM 1060 CG LYS A 65 -3.097 7.810 -10.829 1.00 0.00 C ATOM 1061 CD LYS A 65 -3.856 7.145 -9.677 1.00 0.00 C ATOM 1062 CE LYS A 65 -4.200 8.196 -8.617 1.00 0.00 C ATOM 1063 NZ LYS A 65 -3.146 8.049 -7.575 1.00 0.00 N ATOM 0 H LYS A 65 -0.907 9.327 -12.363 1.00 0.00 H new ATOM 0 HA LYS A 65 -2.096 9.965 -9.828 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -0.997 7.524 -11.275 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -1.390 7.354 -9.576 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.516 8.796 -11.030 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -3.213 7.222 -11.740 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -4.767 6.678 -10.050 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -3.249 6.354 -9.236 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -4.199 9.200 -9.041 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -5.193 8.027 -8.201 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -3.564 7.645 -6.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -2.397 7.418 -7.925 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -2.740 8.981 -7.358 1.00 0.00 H new ATOM 1077 N VAL A 66 1.146 9.339 -9.686 1.00 0.00 N ATOM 1078 CA VAL A 66 2.305 9.441 -8.723 1.00 0.00 C ATOM 1079 C VAL A 66 2.322 10.839 -8.082 1.00 0.00 C ATOM 1080 O VAL A 66 2.540 10.971 -6.891 1.00 0.00 O ATOM 1081 CB VAL A 66 3.590 9.203 -9.541 1.00 0.00 C ATOM 1082 CG1 VAL A 66 4.818 9.329 -8.632 1.00 0.00 C ATOM 1083 CG2 VAL A 66 3.555 7.795 -10.152 1.00 0.00 C ATOM 0 H VAL A 66 1.396 9.128 -10.652 1.00 0.00 H new ATOM 0 HA VAL A 66 2.223 8.708 -7.921 1.00 0.00 H new ATOM 0 HB VAL A 66 3.650 9.948 -10.335 1.00 0.00 H new ATOM 0 HG11 VAL A 66 5.722 9.160 -9.217 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.848 10.328 -8.198 1.00 0.00 H new ATOM 0 HG13 VAL A 66 4.758 8.589 -7.834 1.00 0.00 H new ATOM 0 HG21 VAL A 66 4.463 7.627 -10.730 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.490 7.054 -9.355 1.00 0.00 H new ATOM 0 HG23 VAL A 66 2.687 7.703 -10.805 1.00 0.00 H new ATOM 1093 N LYS A 67 2.080 11.882 -8.852 1.00 0.00 N ATOM 1094 CA LYS A 67 2.071 13.259 -8.245 1.00 0.00 C ATOM 1095 C LYS A 67 0.859 13.391 -7.312 1.00 0.00 C ATOM 1096 O LYS A 67 0.966 13.932 -6.227 1.00 0.00 O ATOM 1097 CB LYS A 67 1.966 14.261 -9.405 1.00 0.00 C ATOM 1098 CG LYS A 67 3.294 14.306 -10.165 1.00 0.00 C ATOM 1099 CD LYS A 67 4.200 15.372 -9.547 1.00 0.00 C ATOM 1100 CE LYS A 67 5.345 15.690 -10.511 1.00 0.00 C ATOM 1101 NZ LYS A 67 6.364 14.633 -10.258 1.00 0.00 N ATOM 0 H LYS A 67 1.892 11.842 -9.854 1.00 0.00 H new ATOM 0 HA LYS A 67 2.973 13.446 -7.662 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.160 13.970 -10.078 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.720 15.252 -9.022 1.00 0.00 H new ATOM 0 HG2 LYS A 67 3.781 13.332 -10.125 1.00 0.00 H new ATOM 0 HG3 LYS A 67 3.116 14.530 -11.217 1.00 0.00 H new ATOM 0 HD2 LYS A 67 3.626 16.275 -9.337 1.00 0.00 H new ATOM 0 HD3 LYS A 67 4.599 15.019 -8.596 1.00 0.00 H new ATOM 0 HE2 LYS A 67 5.006 15.672 -11.547 1.00 0.00 H new ATOM 0 HE3 LYS A 67 5.752 16.684 -10.326 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.182 14.783 -10.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.673 14.679 -9.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 5.949 13.698 -10.449 1.00 0.00 H new ATOM 1115 N SER A 68 -0.292 12.889 -7.717 1.00 0.00 N ATOM 1116 CA SER A 68 -1.498 12.984 -6.822 1.00 0.00 C ATOM 1117 C SER A 68 -1.237 12.216 -5.517 1.00 0.00 C ATOM 1118 O SER A 68 -1.642 12.648 -4.454 1.00 0.00 O ATOM 1119 CB SER A 68 -2.672 12.349 -7.585 1.00 0.00 C ATOM 1120 OG SER A 68 -2.697 10.951 -7.327 1.00 0.00 O ATOM 0 H SER A 68 -0.446 12.426 -8.612 1.00 0.00 H new ATOM 0 HA SER A 68 -1.718 14.020 -6.565 1.00 0.00 H new ATOM 0 HB2 SER A 68 -3.612 12.805 -7.274 1.00 0.00 H new ATOM 0 HB3 SER A 68 -2.567 12.532 -8.654 1.00 0.00 H new ATOM 0 HG SER A 68 -1.869 10.543 -7.656 1.00 0.00 H new ATOM 1126 N LEU A 69 -0.560 11.081 -5.579 1.00 0.00 N ATOM 1127 CA LEU A 69 -0.285 10.312 -4.312 1.00 0.00 C ATOM 1128 C LEU A 69 0.563 11.168 -3.360 1.00 0.00 C ATOM 1129 O LEU A 69 0.266 11.264 -2.184 1.00 0.00 O ATOM 1130 CB LEU A 69 0.485 9.044 -4.716 1.00 0.00 C ATOM 1131 CG LEU A 69 -0.427 8.134 -5.540 1.00 0.00 C ATOM 1132 CD1 LEU A 69 0.422 7.160 -6.359 1.00 0.00 C ATOM 1133 CD2 LEU A 69 -1.345 7.348 -4.599 1.00 0.00 C ATOM 0 H LEU A 69 -0.194 10.663 -6.434 1.00 0.00 H new ATOM 0 HA LEU A 69 -1.211 10.054 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU A 69 1.369 9.311 -5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.833 8.519 -3.827 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.030 8.741 -6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.230 6.513 -6.945 1.00 0.00 H new ATOM 0 HD12 LEU A 69 1.074 7.720 -7.029 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.028 6.552 -5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -1.996 6.699 -5.184 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -0.741 6.742 -3.923 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.952 8.043 -4.019 1.00 0.00 H new ATOM 1145 N SER A 70 1.611 11.800 -3.856 1.00 0.00 N ATOM 1146 CA SER A 70 2.453 12.657 -2.947 1.00 0.00 C ATOM 1147 C SER A 70 1.645 13.891 -2.521 1.00 0.00 C ATOM 1148 O SER A 70 1.625 14.248 -1.358 1.00 0.00 O ATOM 1149 CB SER A 70 3.691 13.079 -3.752 1.00 0.00 C ATOM 1150 OG SER A 70 4.211 14.288 -3.213 1.00 0.00 O ATOM 0 H SER A 70 1.914 11.761 -4.829 1.00 0.00 H new ATOM 0 HA SER A 70 2.748 12.117 -2.047 1.00 0.00 H new ATOM 0 HB2 SER A 70 4.448 12.295 -3.715 1.00 0.00 H new ATOM 0 HB3 SER A 70 3.427 13.218 -4.800 1.00 0.00 H new ATOM 0 HG SER A 70 5.002 14.560 -3.723 1.00 0.00 H new ATOM 1156 N ASP A 71 0.962 14.536 -3.448 1.00 0.00 N ATOM 1157 CA ASP A 71 0.138 15.737 -3.060 1.00 0.00 C ATOM 1158 C ASP A 71 -1.079 15.314 -2.213 1.00 0.00 C ATOM 1159 O ASP A 71 -1.611 16.113 -1.464 1.00 0.00 O ATOM 1160 CB ASP A 71 -0.326 16.401 -4.366 1.00 0.00 C ATOM 1161 CG ASP A 71 0.783 17.310 -4.900 1.00 0.00 C ATOM 1162 OD1 ASP A 71 1.722 16.790 -5.479 1.00 0.00 O ATOM 1163 OD2 ASP A 71 0.673 18.512 -4.720 1.00 0.00 O ATOM 0 H ASP A 71 0.939 14.289 -4.437 1.00 0.00 H new ATOM 0 HA ASP A 71 0.727 16.428 -2.457 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -0.574 15.639 -5.105 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.232 16.981 -4.190 1.00 0.00 H new ATOM 1168 N MET A 72 -1.506 14.064 -2.285 1.00 0.00 N ATOM 1169 CA MET A 72 -2.662 13.626 -1.434 1.00 0.00 C ATOM 1170 C MET A 72 -2.088 13.155 -0.097 1.00 0.00 C ATOM 1171 O MET A 72 -2.578 13.509 0.957 1.00 0.00 O ATOM 1172 CB MET A 72 -3.347 12.468 -2.176 1.00 0.00 C ATOM 1173 CG MET A 72 -4.692 12.163 -1.517 1.00 0.00 C ATOM 1174 SD MET A 72 -5.183 10.464 -1.905 1.00 0.00 S ATOM 1175 CE MET A 72 -4.479 9.684 -0.433 1.00 0.00 C ATOM 0 H MET A 72 -1.108 13.343 -2.887 1.00 0.00 H new ATOM 0 HA MET A 72 -3.385 14.421 -1.252 1.00 0.00 H new ATOM 0 HB2 MET A 72 -3.495 12.730 -3.224 1.00 0.00 H new ATOM 0 HB3 MET A 72 -2.711 11.583 -2.156 1.00 0.00 H new ATOM 0 HG2 MET A 72 -4.618 12.294 -0.437 1.00 0.00 H new ATOM 0 HG3 MET A 72 -5.450 12.862 -1.872 1.00 0.00 H new ATOM 0 HE1 MET A 72 -4.668 8.611 -0.464 1.00 0.00 H new ATOM 0 HE2 MET A 72 -3.404 9.862 -0.406 1.00 0.00 H new ATOM 0 HE3 MET A 72 -4.940 10.108 0.459 1.00 0.00 H new ATOM 1185 N THR A 73 -1.015 12.388 -0.136 1.00 0.00 N ATOM 1186 CA THR A 73 -0.370 11.930 1.139 1.00 0.00 C ATOM 1187 C THR A 73 0.049 13.174 1.963 1.00 0.00 C ATOM 1188 O THR A 73 -0.065 13.180 3.175 1.00 0.00 O ATOM 1189 CB THR A 73 0.851 11.078 0.694 1.00 0.00 C ATOM 1190 OG1 THR A 73 0.417 9.759 0.403 1.00 0.00 O ATOM 1191 CG2 THR A 73 1.923 11.023 1.780 1.00 0.00 C ATOM 0 H THR A 73 -0.563 12.063 -0.991 1.00 0.00 H new ATOM 0 HA THR A 73 -1.030 11.340 1.776 1.00 0.00 H new ATOM 0 HB THR A 73 1.286 11.544 -0.190 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.202 9.688 -0.550 1.00 0.00 H new ATOM 0 HG21 THR A 73 2.761 10.419 1.433 1.00 0.00 H new ATOM 0 HG22 THR A 73 2.270 12.033 2.000 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.504 10.578 2.683 1.00 0.00 H new ATOM 1199 N ALA A 74 0.522 14.228 1.317 1.00 0.00 N ATOM 1200 CA ALA A 74 0.926 15.456 2.095 1.00 0.00 C ATOM 1201 C ALA A 74 -0.305 16.065 2.789 1.00 0.00 C ATOM 1202 O ALA A 74 -0.216 16.536 3.908 1.00 0.00 O ATOM 1203 CB ALA A 74 1.509 16.454 1.082 1.00 0.00 C ATOM 0 H ALA A 74 0.643 14.290 0.306 1.00 0.00 H new ATOM 0 HA ALA A 74 1.658 15.210 2.864 1.00 0.00 H new ATOM 0 HB1 ALA A 74 1.816 17.362 1.601 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.373 16.009 0.588 1.00 0.00 H new ATOM 0 HB3 ALA A 74 0.752 16.700 0.337 1.00 0.00 H new ATOM 1209 N LYS A 75 -1.457 16.051 2.145 1.00 0.00 N ATOM 1210 CA LYS A 75 -2.687 16.628 2.796 1.00 0.00 C ATOM 1211 C LYS A 75 -3.386 15.568 3.669 1.00 0.00 C ATOM 1212 O LYS A 75 -3.987 15.898 4.674 1.00 0.00 O ATOM 1213 CB LYS A 75 -3.613 17.074 1.654 1.00 0.00 C ATOM 1214 CG LYS A 75 -3.221 18.480 1.196 1.00 0.00 C ATOM 1215 CD LYS A 75 -4.149 18.926 0.063 1.00 0.00 C ATOM 1216 CE LYS A 75 -3.440 19.978 -0.793 1.00 0.00 C ATOM 1217 NZ LYS A 75 -4.536 20.718 -1.478 1.00 0.00 N ATOM 0 H LYS A 75 -1.598 15.670 1.209 1.00 0.00 H new ATOM 0 HA LYS A 75 -2.430 17.463 3.448 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -3.541 16.376 0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -4.650 17.065 1.989 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -3.288 19.178 2.031 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -2.185 18.488 0.856 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.428 18.070 -0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.071 19.337 0.474 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -2.837 20.646 -0.178 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.767 19.513 -1.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -4.129 21.458 -2.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -5.089 20.058 -2.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -5.156 21.156 -0.767 1.00 0.00 H new ATOM 1231 N GLU A 76 -3.314 14.297 3.306 1.00 0.00 N ATOM 1232 CA GLU A 76 -3.986 13.243 4.150 1.00 0.00 C ATOM 1233 C GLU A 76 -3.206 12.964 5.455 1.00 0.00 C ATOM 1234 O GLU A 76 -3.695 12.255 6.313 1.00 0.00 O ATOM 1235 CB GLU A 76 -4.041 11.969 3.291 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.186 11.076 3.775 1.00 0.00 C ATOM 1237 CD GLU A 76 -4.672 10.129 4.860 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -3.634 9.523 4.647 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -5.324 10.025 5.885 1.00 0.00 O ATOM 0 H GLU A 76 -2.829 13.951 2.478 1.00 0.00 H new ATOM 0 HA GLU A 76 -4.979 13.580 4.448 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -4.188 12.230 2.243 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.095 11.432 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -5.998 11.688 4.167 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.592 10.504 2.941 1.00 0.00 H new ATOM 1246 N LYS A 77 -2.002 13.497 5.628 1.00 0.00 N ATOM 1247 CA LYS A 77 -1.228 13.233 6.886 1.00 0.00 C ATOM 1248 C LYS A 77 -1.042 11.720 7.077 1.00 0.00 C ATOM 1249 O LYS A 77 -1.263 11.196 8.151 1.00 0.00 O ATOM 1250 CB LYS A 77 -2.054 13.828 8.035 1.00 0.00 C ATOM 1251 CG LYS A 77 -1.551 15.239 8.348 1.00 0.00 C ATOM 1252 CD LYS A 77 -1.784 15.547 9.829 1.00 0.00 C ATOM 1253 CE LYS A 77 -0.663 14.922 10.663 1.00 0.00 C ATOM 1254 NZ LYS A 77 -1.334 14.429 11.899 1.00 0.00 N ATOM 0 H LYS A 77 -1.532 14.099 4.951 1.00 0.00 H new ATOM 0 HA LYS A 77 -0.235 13.681 6.849 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -3.109 13.859 7.761 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.973 13.197 8.920 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -0.490 15.319 8.111 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -2.072 15.968 7.728 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.812 16.625 9.987 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.750 15.154 10.146 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -0.178 14.108 10.125 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.110 15.654 10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -0.630 13.986 12.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -1.781 15.227 12.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -2.060 13.729 11.644 1.00 0.00 H new ATOM 1268 N PHE A 78 -0.643 11.012 6.036 1.00 0.00 N ATOM 1269 CA PHE A 78 -0.450 9.520 6.174 1.00 0.00 C ATOM 1270 C PHE A 78 0.535 9.209 7.311 1.00 0.00 C ATOM 1271 O PHE A 78 0.950 10.096 8.035 1.00 0.00 O ATOM 1272 CB PHE A 78 0.097 8.999 4.825 1.00 0.00 C ATOM 1273 CG PHE A 78 -1.023 8.340 4.044 1.00 0.00 C ATOM 1274 CD1 PHE A 78 -1.828 7.371 4.658 1.00 0.00 C ATOM 1275 CD2 PHE A 78 -1.259 8.699 2.710 1.00 0.00 C ATOM 1276 CE1 PHE A 78 -2.866 6.764 3.944 1.00 0.00 C ATOM 1277 CE2 PHE A 78 -2.299 8.090 1.995 1.00 0.00 C ATOM 1278 CZ PHE A 78 -3.102 7.123 2.613 1.00 0.00 C ATOM 0 H PHE A 78 -0.445 11.394 5.111 1.00 0.00 H new ATOM 0 HA PHE A 78 -1.394 9.032 6.417 1.00 0.00 H new ATOM 0 HB2 PHE A 78 0.520 9.823 4.250 1.00 0.00 H new ATOM 0 HB3 PHE A 78 0.902 8.285 4.999 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -1.646 7.092 5.685 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -0.640 9.444 2.233 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -3.485 6.018 4.420 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -2.481 8.366 0.967 1.00 0.00 H new ATOM 0 HZ PHE A 78 -3.904 6.654 2.062 1.00 0.00 H new ATOM 1288 N SER A 79 0.914 7.961 7.479 1.00 0.00 N ATOM 1289 CA SER A 79 1.865 7.609 8.569 1.00 0.00 C ATOM 1290 C SER A 79 3.260 7.444 7.969 1.00 0.00 C ATOM 1291 O SER A 79 3.449 7.725 6.801 1.00 0.00 O ATOM 1292 CB SER A 79 1.352 6.282 9.161 1.00 0.00 C ATOM 1293 OG SER A 79 0.090 5.953 8.598 1.00 0.00 O ATOM 0 H SER A 79 0.603 7.177 6.906 1.00 0.00 H new ATOM 0 HA SER A 79 1.926 8.374 9.343 1.00 0.00 H new ATOM 0 HB2 SER A 79 2.068 5.485 8.961 1.00 0.00 H new ATOM 0 HB3 SER A 79 1.265 6.367 10.244 1.00 0.00 H new ATOM 0 HG SER A 79 -0.126 5.019 8.802 1.00 0.00 H new ATOM 1299 N PRO A 80 4.205 6.988 8.764 1.00 0.00 N ATOM 1300 CA PRO A 80 5.569 6.799 8.234 1.00 0.00 C ATOM 1301 C PRO A 80 5.680 5.538 7.354 1.00 0.00 C ATOM 1302 O PRO A 80 6.715 5.307 6.756 1.00 0.00 O ATOM 1303 CB PRO A 80 6.427 6.678 9.481 1.00 0.00 C ATOM 1304 CG PRO A 80 5.510 6.193 10.557 1.00 0.00 C ATOM 1305 CD PRO A 80 4.113 6.617 10.190 1.00 0.00 C ATOM 0 HA PRO A 80 5.875 7.619 7.584 1.00 0.00 H new ATOM 0 HB2 PRO A 80 7.250 5.981 9.324 1.00 0.00 H new ATOM 0 HB3 PRO A 80 6.869 7.638 9.747 1.00 0.00 H new ATOM 0 HG2 PRO A 80 5.569 5.109 10.650 1.00 0.00 H new ATOM 0 HG3 PRO A 80 5.796 6.612 11.522 1.00 0.00 H new ATOM 0 HD2 PRO A 80 3.399 5.808 10.345 1.00 0.00 H new ATOM 0 HD3 PRO A 80 3.780 7.458 10.799 1.00 0.00 H new ATOM 1313 N LEU A 81 4.639 4.726 7.237 1.00 0.00 N ATOM 1314 CA LEU A 81 4.737 3.525 6.368 1.00 0.00 C ATOM 1315 C LEU A 81 3.671 3.566 5.260 1.00 0.00 C ATOM 1316 O LEU A 81 3.408 2.557 4.630 1.00 0.00 O ATOM 1317 CB LEU A 81 4.487 2.344 7.304 1.00 0.00 C ATOM 1318 CG LEU A 81 5.835 1.767 7.764 1.00 0.00 C ATOM 1319 CD1 LEU A 81 5.762 1.403 9.246 1.00 0.00 C ATOM 1320 CD2 LEU A 81 6.167 0.514 6.949 1.00 0.00 C ATOM 0 H LEU A 81 3.742 4.854 7.706 1.00 0.00 H new ATOM 0 HA LEU A 81 5.703 3.460 5.868 1.00 0.00 H new ATOM 0 HB2 LEU A 81 3.903 2.666 8.166 1.00 0.00 H new ATOM 0 HB3 LEU A 81 3.905 1.577 6.793 1.00 0.00 H new ATOM 0 HG LEU A 81 6.613 2.515 7.612 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.720 0.994 9.568 1.00 0.00 H new ATOM 0 HD12 LEU A 81 5.534 2.295 9.829 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.980 0.659 9.400 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.124 0.108 7.279 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.386 -0.233 7.095 1.00 0.00 H new ATOM 0 HD23 LEU A 81 6.228 0.773 5.892 1.00 0.00 H new ATOM 1332 N THR A 82 3.046 4.709 5.006 1.00 0.00 N ATOM 1333 CA THR A 82 2.013 4.754 3.937 1.00 0.00 C ATOM 1334 C THR A 82 2.378 5.721 2.788 1.00 0.00 C ATOM 1335 O THR A 82 1.609 5.861 1.854 1.00 0.00 O ATOM 1336 CB THR A 82 0.722 5.185 4.636 1.00 0.00 C ATOM 1337 OG1 THR A 82 0.605 4.494 5.874 1.00 0.00 O ATOM 1338 CG2 THR A 82 -0.456 4.815 3.733 1.00 0.00 C ATOM 0 H THR A 82 3.213 5.590 5.492 1.00 0.00 H new ATOM 0 HA THR A 82 1.916 3.780 3.457 1.00 0.00 H new ATOM 0 HB THR A 82 0.731 6.259 4.824 1.00 0.00 H new ATOM 0 HG1 THR A 82 0.464 5.140 6.597 1.00 0.00 H new ATOM 0 HG21 THR A 82 -1.389 5.113 4.211 1.00 0.00 H new ATOM 0 HG22 THR A 82 -0.358 5.330 2.777 1.00 0.00 H new ATOM 0 HG23 THR A 82 -0.462 3.738 3.566 1.00 0.00 H new ATOM 1346 N SER A 83 3.539 6.361 2.803 1.00 0.00 N ATOM 1347 CA SER A 83 3.898 7.256 1.659 1.00 0.00 C ATOM 1348 C SER A 83 5.032 6.606 0.844 1.00 0.00 C ATOM 1349 O SER A 83 5.910 7.272 0.329 1.00 0.00 O ATOM 1350 CB SER A 83 4.346 8.578 2.283 1.00 0.00 C ATOM 1351 OG SER A 83 5.688 8.453 2.735 1.00 0.00 O ATOM 0 H SER A 83 4.234 6.298 3.547 1.00 0.00 H new ATOM 0 HA SER A 83 3.063 7.421 0.978 1.00 0.00 H new ATOM 0 HB2 SER A 83 4.270 9.383 1.552 1.00 0.00 H new ATOM 0 HB3 SER A 83 3.693 8.840 3.115 1.00 0.00 H new ATOM 0 HG SER A 83 6.288 8.382 1.963 1.00 0.00 H new ATOM 1357 N ASN A 84 4.986 5.303 0.707 1.00 0.00 N ATOM 1358 CA ASN A 84 6.009 4.558 -0.092 1.00 0.00 C ATOM 1359 C ASN A 84 5.247 3.452 -0.823 1.00 0.00 C ATOM 1360 O ASN A 84 5.158 3.448 -2.036 1.00 0.00 O ATOM 1361 CB ASN A 84 7.005 3.990 0.926 1.00 0.00 C ATOM 1362 CG ASN A 84 8.029 3.102 0.207 1.00 0.00 C ATOM 1363 OD1 ASN A 84 8.046 1.902 0.402 1.00 0.00 O ATOM 1364 ND2 ASN A 84 8.892 3.638 -0.621 1.00 0.00 N ATOM 0 H ASN A 84 4.267 4.712 1.125 1.00 0.00 H new ATOM 0 HA ASN A 84 6.548 5.162 -0.822 1.00 0.00 H new ATOM 0 HB2 ASN A 84 7.514 4.803 1.444 1.00 0.00 H new ATOM 0 HB3 ASN A 84 6.476 3.412 1.683 1.00 0.00 H new ATOM 0 HD21 ASN A 84 9.574 3.049 -1.099 1.00 0.00 H new ATOM 0 HD22 ASN A 84 8.882 4.644 -0.788 1.00 0.00 H new ATOM 1371 N LEU A 85 4.605 2.565 -0.078 1.00 0.00 N ATOM 1372 CA LEU A 85 3.750 1.532 -0.739 1.00 0.00 C ATOM 1373 C LEU A 85 2.645 2.266 -1.541 1.00 0.00 C ATOM 1374 O LEU A 85 2.152 1.744 -2.523 1.00 0.00 O ATOM 1375 CB LEU A 85 3.144 0.670 0.397 1.00 0.00 C ATOM 1376 CG LEU A 85 2.056 -0.268 -0.149 1.00 0.00 C ATOM 1377 CD1 LEU A 85 2.645 -1.182 -1.228 1.00 0.00 C ATOM 1378 CD2 LEU A 85 1.510 -1.127 0.994 1.00 0.00 C ATOM 0 H LEU A 85 4.640 2.519 0.940 1.00 0.00 H new ATOM 0 HA LEU A 85 4.307 0.896 -1.427 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.930 0.084 0.873 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.720 1.318 1.164 1.00 0.00 H new ATOM 0 HG LEU A 85 1.254 0.329 -0.583 1.00 0.00 H new ATOM 0 HD11 LEU A 85 1.867 -1.843 -1.609 1.00 0.00 H new ATOM 0 HD12 LEU A 85 3.038 -0.575 -2.044 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.450 -1.779 -0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.738 -1.794 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.319 -1.718 1.424 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.084 -0.482 1.762 1.00 0.00 H new ATOM 1390 N ILE A 86 2.260 3.486 -1.144 1.00 0.00 N ATOM 1391 CA ILE A 86 1.206 4.210 -1.934 1.00 0.00 C ATOM 1392 C ILE A 86 1.705 4.435 -3.372 1.00 0.00 C ATOM 1393 O ILE A 86 0.949 4.301 -4.316 1.00 0.00 O ATOM 1394 CB ILE A 86 0.928 5.555 -1.219 1.00 0.00 C ATOM 1395 CG1 ILE A 86 -0.254 6.253 -1.901 1.00 0.00 C ATOM 1396 CG2 ILE A 86 2.159 6.472 -1.279 1.00 0.00 C ATOM 1397 CD1 ILE A 86 -1.114 6.949 -0.847 1.00 0.00 C ATOM 0 H ILE A 86 2.625 3.985 -0.333 1.00 0.00 H new ATOM 0 HA ILE A 86 0.285 3.630 -1.991 1.00 0.00 H new ATOM 0 HB ILE A 86 0.696 5.352 -0.173 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.109 6.980 -2.627 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -0.852 5.526 -2.450 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.939 7.410 -0.770 1.00 0.00 H new ATOM 0 HG22 ILE A 86 3.001 5.983 -0.790 1.00 0.00 H new ATOM 0 HG23 ILE A 86 2.412 6.674 -2.320 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -1.954 7.445 -1.333 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.489 6.211 -0.138 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.513 7.688 -0.317 1.00 0.00 H new ATOM 1409 N ASN A 87 2.978 4.743 -3.553 1.00 0.00 N ATOM 1410 CA ASN A 87 3.498 4.932 -4.950 1.00 0.00 C ATOM 1411 C ASN A 87 3.584 3.553 -5.618 1.00 0.00 C ATOM 1412 O ASN A 87 3.194 3.386 -6.757 1.00 0.00 O ATOM 1413 CB ASN A 87 4.895 5.560 -4.828 1.00 0.00 C ATOM 1414 CG ASN A 87 5.341 6.090 -6.197 1.00 0.00 C ATOM 1415 OD1 ASN A 87 4.883 5.618 -7.218 1.00 0.00 O ATOM 1416 ND2 ASN A 87 6.221 7.059 -6.267 1.00 0.00 N ATOM 0 H ASN A 87 3.663 4.869 -2.808 1.00 0.00 H new ATOM 0 HA ASN A 87 2.852 5.574 -5.549 1.00 0.00 H new ATOM 0 HB2 ASN A 87 4.878 6.371 -4.100 1.00 0.00 H new ATOM 0 HB3 ASN A 87 5.607 4.820 -4.463 1.00 0.00 H new ATOM 0 HD21 ASN A 87 6.518 7.413 -7.176 1.00 0.00 H new ATOM 0 HD22 ASN A 87 6.609 7.459 -5.412 1.00 0.00 H new ATOM 1423 N LEU A 88 4.069 2.550 -4.903 1.00 0.00 N ATOM 1424 CA LEU A 88 4.153 1.167 -5.502 1.00 0.00 C ATOM 1425 C LEU A 88 2.759 0.737 -5.987 1.00 0.00 C ATOM 1426 O LEU A 88 2.622 0.155 -7.046 1.00 0.00 O ATOM 1427 CB LEU A 88 4.640 0.214 -4.388 1.00 0.00 C ATOM 1428 CG LEU A 88 5.728 -0.709 -4.940 1.00 0.00 C ATOM 1429 CD1 LEU A 88 7.103 -0.085 -4.679 1.00 0.00 C ATOM 1430 CD2 LEU A 88 5.643 -2.071 -4.242 1.00 0.00 C ATOM 0 H LEU A 88 4.406 2.629 -3.943 1.00 0.00 H new ATOM 0 HA LEU A 88 4.837 1.146 -6.350 1.00 0.00 H new ATOM 0 HB2 LEU A 88 5.029 0.789 -3.548 1.00 0.00 H new ATOM 0 HB3 LEU A 88 3.805 -0.377 -4.010 1.00 0.00 H new ATOM 0 HG LEU A 88 5.586 -0.842 -6.013 1.00 0.00 H new ATOM 0 HD11 LEU A 88 7.880 -0.741 -5.071 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.162 0.885 -5.173 1.00 0.00 H new ATOM 0 HD13 LEU A 88 7.246 0.045 -3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.418 -2.730 -4.634 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.787 -1.940 -3.170 1.00 0.00 H new ATOM 0 HD23 LEU A 88 4.664 -2.513 -4.425 1.00 0.00 H new ATOM 1442 N LEU A 89 1.717 1.035 -5.227 1.00 0.00 N ATOM 1443 CA LEU A 89 0.334 0.646 -5.681 1.00 0.00 C ATOM 1444 C LEU A 89 0.032 1.322 -7.026 1.00 0.00 C ATOM 1445 O LEU A 89 -0.553 0.720 -7.907 1.00 0.00 O ATOM 1446 CB LEU A 89 -0.645 1.134 -4.601 1.00 0.00 C ATOM 1447 CG LEU A 89 -0.591 0.185 -3.402 1.00 0.00 C ATOM 1448 CD1 LEU A 89 -1.481 0.728 -2.281 1.00 0.00 C ATOM 1449 CD2 LEU A 89 -1.088 -1.200 -3.826 1.00 0.00 C ATOM 0 H LEU A 89 1.764 1.520 -4.331 1.00 0.00 H new ATOM 0 HA LEU A 89 0.245 -0.432 -5.817 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -0.386 2.146 -4.290 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.657 1.173 -5.003 1.00 0.00 H new ATOM 0 HG LEU A 89 0.436 0.108 -3.044 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -1.443 0.052 -1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -1.126 1.714 -1.980 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -2.508 0.805 -2.637 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -1.050 -1.877 -2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -2.115 -1.124 -4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -0.453 -1.586 -4.624 1.00 0.00 H new ATOM 1461 N ALA A 90 0.446 2.561 -7.204 1.00 0.00 N ATOM 1462 CA ALA A 90 0.199 3.244 -8.511 1.00 0.00 C ATOM 1463 C ALA A 90 1.504 3.317 -9.330 1.00 0.00 C ATOM 1464 O ALA A 90 1.674 4.211 -10.137 1.00 0.00 O ATOM 1465 CB ALA A 90 -0.292 4.651 -8.153 1.00 0.00 C ATOM 0 H ALA A 90 0.938 3.119 -6.506 1.00 0.00 H new ATOM 0 HA ALA A 90 -0.529 2.708 -9.119 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.493 5.210 -9.067 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.206 4.578 -7.564 1.00 0.00 H new ATOM 0 HB3 ALA A 90 0.473 5.167 -7.573 1.00 0.00 H new ATOM 1471 N GLU A 91 2.429 2.386 -9.140 1.00 0.00 N ATOM 1472 CA GLU A 91 3.705 2.433 -9.931 1.00 0.00 C ATOM 1473 C GLU A 91 3.650 1.431 -11.096 1.00 0.00 C ATOM 1474 O GLU A 91 4.031 1.754 -12.206 1.00 0.00 O ATOM 1475 CB GLU A 91 4.825 2.056 -8.951 1.00 0.00 C ATOM 1476 CG GLU A 91 6.178 2.119 -9.665 1.00 0.00 C ATOM 1477 CD GLU A 91 7.295 1.789 -8.673 1.00 0.00 C ATOM 1478 OE1 GLU A 91 7.455 2.535 -7.722 1.00 0.00 O ATOM 1479 OE2 GLU A 91 7.971 0.796 -8.882 1.00 0.00 O ATOM 0 H GLU A 91 2.352 1.611 -8.481 1.00 0.00 H new ATOM 0 HA GLU A 91 3.871 3.420 -10.364 1.00 0.00 H new ATOM 0 HB2 GLU A 91 4.820 2.736 -8.099 1.00 0.00 H new ATOM 0 HB3 GLU A 91 4.656 1.053 -8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 91 6.196 1.414 -10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 91 6.333 3.112 -10.086 1.00 0.00 H new ATOM 1486 N ASN A 92 3.185 0.218 -10.862 1.00 0.00 N ATOM 1487 CA ASN A 92 3.120 -0.781 -11.976 1.00 0.00 C ATOM 1488 C ASN A 92 1.660 -1.115 -12.345 1.00 0.00 C ATOM 1489 O ASN A 92 1.384 -2.192 -12.841 1.00 0.00 O ATOM 1490 CB ASN A 92 3.835 -2.027 -11.435 1.00 0.00 C ATOM 1491 CG ASN A 92 4.819 -2.559 -12.485 1.00 0.00 C ATOM 1492 OD1 ASN A 92 4.468 -2.698 -13.640 1.00 0.00 O ATOM 1493 ND2 ASN A 92 6.045 -2.866 -12.136 1.00 0.00 N ATOM 0 H ASN A 92 2.853 -0.116 -9.957 1.00 0.00 H new ATOM 0 HA ASN A 92 3.584 -0.398 -12.885 1.00 0.00 H new ATOM 0 HB2 ASN A 92 4.367 -1.782 -10.516 1.00 0.00 H new ATOM 0 HB3 ASN A 92 3.105 -2.797 -11.185 1.00 0.00 H new ATOM 0 HD21 ASN A 92 6.700 -3.220 -12.833 1.00 0.00 H new ATOM 0 HD22 ASN A 92 6.344 -2.751 -11.168 1.00 0.00 H new ATOM 1500 N GLY A 93 0.720 -0.214 -12.117 1.00 0.00 N ATOM 1501 CA GLY A 93 -0.698 -0.510 -12.467 1.00 0.00 C ATOM 1502 C GLY A 93 -1.315 -1.382 -11.371 1.00 0.00 C ATOM 1503 O GLY A 93 -1.907 -2.408 -11.655 1.00 0.00 O ATOM 0 H GLY A 93 0.883 0.705 -11.706 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -1.261 0.418 -12.570 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -0.749 -1.022 -13.428 1.00 0.00 H new ATOM 1507 N ARG A 94 -1.187 -0.990 -10.119 1.00 0.00 N ATOM 1508 CA ARG A 94 -1.775 -1.818 -9.024 1.00 0.00 C ATOM 1509 C ARG A 94 -2.974 -1.101 -8.377 1.00 0.00 C ATOM 1510 O ARG A 94 -3.208 -1.240 -7.191 1.00 0.00 O ATOM 1511 CB ARG A 94 -0.645 -2.016 -8.006 1.00 0.00 C ATOM 1512 CG ARG A 94 -0.617 -3.478 -7.532 1.00 0.00 C ATOM 1513 CD ARG A 94 0.813 -4.023 -7.607 1.00 0.00 C ATOM 1514 NE ARG A 94 0.852 -4.829 -8.859 1.00 0.00 N ATOM 1515 CZ ARG A 94 0.364 -6.039 -8.869 1.00 0.00 C ATOM 1516 NH1 ARG A 94 0.937 -6.980 -8.169 1.00 0.00 N ATOM 1517 NH2 ARG A 94 -0.697 -6.310 -9.579 1.00 0.00 N ATOM 0 H ARG A 94 -0.706 -0.143 -9.817 1.00 0.00 H new ATOM 0 HA ARG A 94 -2.151 -2.770 -9.399 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.312 -1.752 -8.456 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -0.791 -1.351 -7.154 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.988 -3.545 -6.509 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.279 -4.083 -8.151 1.00 0.00 H new ATOM 0 HD2 ARG A 94 1.543 -3.214 -7.635 1.00 0.00 H new ATOM 0 HD3 ARG A 94 1.049 -4.635 -6.736 1.00 0.00 H new ATOM 0 HE ARG A 94 1.260 -4.436 -9.707 1.00 0.00 H new ATOM 0 HH11 ARG A 94 1.766 -6.769 -7.614 1.00 0.00 H new ATOM 0 HH12 ARG A 94 0.555 -7.926 -8.177 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -1.145 -5.576 -10.127 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.078 -7.256 -9.586 1.00 0.00 H new ATOM 1531 N LEU A 95 -3.754 -0.360 -9.144 1.00 0.00 N ATOM 1532 CA LEU A 95 -4.948 0.324 -8.553 1.00 0.00 C ATOM 1533 C LEU A 95 -6.214 -0.413 -9.016 1.00 0.00 C ATOM 1534 O LEU A 95 -7.185 0.186 -9.435 1.00 0.00 O ATOM 1535 CB LEU A 95 -4.913 1.764 -9.075 1.00 0.00 C ATOM 1536 CG LEU A 95 -3.889 2.572 -8.271 1.00 0.00 C ATOM 1537 CD1 LEU A 95 -3.685 3.938 -8.927 1.00 0.00 C ATOM 1538 CD2 LEU A 95 -4.399 2.767 -6.840 1.00 0.00 C ATOM 0 H LEU A 95 -3.613 -0.204 -10.142 1.00 0.00 H new ATOM 0 HA LEU A 95 -4.944 0.320 -7.463 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -4.650 1.773 -10.133 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -5.900 2.218 -8.988 1.00 0.00 H new ATOM 0 HG LEU A 95 -2.942 2.033 -8.250 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -2.956 4.512 -8.354 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -3.320 3.802 -9.945 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.633 4.476 -8.950 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -3.670 3.342 -6.269 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -5.347 3.304 -6.862 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.543 1.794 -6.369 1.00 0.00 H new ATOM 1550 N THR A 96 -6.198 -1.722 -8.919 1.00 0.00 N ATOM 1551 CA THR A 96 -7.376 -2.548 -9.322 1.00 0.00 C ATOM 1552 C THR A 96 -7.667 -3.528 -8.181 1.00 0.00 C ATOM 1553 O THR A 96 -8.728 -3.503 -7.587 1.00 0.00 O ATOM 1554 CB THR A 96 -6.938 -3.291 -10.586 1.00 0.00 C ATOM 1555 OG1 THR A 96 -5.611 -3.770 -10.415 1.00 0.00 O ATOM 1556 CG2 THR A 96 -6.989 -2.342 -11.783 1.00 0.00 C ATOM 0 H THR A 96 -5.404 -2.259 -8.571 1.00 0.00 H new ATOM 0 HA THR A 96 -8.277 -1.965 -9.514 1.00 0.00 H new ATOM 0 HB THR A 96 -7.609 -4.131 -10.764 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.329 -4.248 -11.223 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.677 -2.873 -12.682 1.00 0.00 H new ATOM 0 HG22 THR A 96 -8.007 -1.975 -11.913 1.00 0.00 H new ATOM 0 HG23 THR A 96 -6.320 -1.500 -11.608 1.00 0.00 H new ATOM 1564 N ASN A 97 -6.696 -4.354 -7.822 1.00 0.00 N ATOM 1565 CA ASN A 97 -6.892 -5.281 -6.668 1.00 0.00 C ATOM 1566 C ASN A 97 -6.223 -4.680 -5.405 1.00 0.00 C ATOM 1567 O ASN A 97 -5.933 -5.393 -4.464 1.00 0.00 O ATOM 1568 CB ASN A 97 -6.204 -6.592 -7.066 1.00 0.00 C ATOM 1569 CG ASN A 97 -6.943 -7.218 -8.254 1.00 0.00 C ATOM 1570 OD1 ASN A 97 -7.849 -8.006 -8.068 1.00 0.00 O ATOM 1571 ND2 ASN A 97 -6.599 -6.902 -9.479 1.00 0.00 N ATOM 0 H ASN A 97 -5.787 -4.418 -8.281 1.00 0.00 H new ATOM 0 HA ASN A 97 -7.946 -5.441 -6.441 1.00 0.00 H new ATOM 0 HB2 ASN A 97 -5.163 -6.403 -7.330 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -6.199 -7.283 -6.223 1.00 0.00 H new ATOM 0 HD21 ASN A 97 -7.091 -7.317 -10.270 1.00 0.00 H new ATOM 0 HD22 ASN A 97 -5.839 -6.241 -9.641 1.00 0.00 H new ATOM 1578 N THR A 98 -5.971 -3.371 -5.373 1.00 0.00 N ATOM 1579 CA THR A 98 -5.322 -2.743 -4.168 1.00 0.00 C ATOM 1580 C THR A 98 -5.994 -3.189 -2.853 1.00 0.00 C ATOM 1581 O THR A 98 -5.303 -3.579 -1.932 1.00 0.00 O ATOM 1582 CB THR A 98 -5.461 -1.218 -4.351 1.00 0.00 C ATOM 1583 OG1 THR A 98 -5.840 -0.933 -5.691 1.00 0.00 O ATOM 1584 CG2 THR A 98 -4.126 -0.538 -4.050 1.00 0.00 C ATOM 0 H THR A 98 -6.189 -2.723 -6.130 1.00 0.00 H new ATOM 0 HA THR A 98 -4.279 -3.051 -4.096 1.00 0.00 H new ATOM 0 HB THR A 98 -6.222 -0.843 -3.666 1.00 0.00 H new ATOM 0 HG1 THR A 98 -6.069 0.016 -5.771 1.00 0.00 H new ATOM 0 HG21 THR A 98 -4.229 0.539 -4.181 1.00 0.00 H new ATOM 0 HG22 THR A 98 -3.832 -0.753 -3.023 1.00 0.00 H new ATOM 0 HG23 THR A 98 -3.364 -0.915 -4.732 1.00 0.00 H new ATOM 1592 N PRO A 99 -7.313 -3.129 -2.786 1.00 0.00 N ATOM 1593 CA PRO A 99 -8.006 -3.553 -1.542 1.00 0.00 C ATOM 1594 C PRO A 99 -7.796 -5.056 -1.301 1.00 0.00 C ATOM 1595 O PRO A 99 -7.623 -5.481 -0.173 1.00 0.00 O ATOM 1596 CB PRO A 99 -9.472 -3.207 -1.801 1.00 0.00 C ATOM 1597 CG PRO A 99 -9.597 -3.178 -3.286 1.00 0.00 C ATOM 1598 CD PRO A 99 -8.273 -2.689 -3.814 1.00 0.00 C ATOM 0 HA PRO A 99 -7.630 -3.061 -0.645 1.00 0.00 H new ATOM 0 HB2 PRO A 99 -10.138 -3.950 -1.362 1.00 0.00 H new ATOM 0 HB3 PRO A 99 -9.735 -2.244 -1.363 1.00 0.00 H new ATOM 0 HG2 PRO A 99 -9.829 -4.169 -3.676 1.00 0.00 H new ATOM 0 HG3 PRO A 99 -10.407 -2.517 -3.595 1.00 0.00 H new ATOM 0 HD2 PRO A 99 -8.045 -3.121 -4.788 1.00 0.00 H new ATOM 0 HD3 PRO A 99 -8.264 -1.606 -3.935 1.00 0.00 H new ATOM 1606 N ALA A 100 -7.779 -5.866 -2.344 1.00 0.00 N ATOM 1607 CA ALA A 100 -7.540 -7.339 -2.130 1.00 0.00 C ATOM 1608 C ALA A 100 -6.143 -7.540 -1.520 1.00 0.00 C ATOM 1609 O ALA A 100 -5.962 -8.357 -0.636 1.00 0.00 O ATOM 1610 CB ALA A 100 -7.622 -8.012 -3.510 1.00 0.00 C ATOM 0 H ALA A 100 -7.917 -5.579 -3.313 1.00 0.00 H new ATOM 0 HA ALA A 100 -8.276 -7.771 -1.451 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -7.454 -9.084 -3.403 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -8.609 -7.840 -3.940 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -6.861 -7.590 -4.167 1.00 0.00 H new ATOM 1616 N VAL A 101 -5.153 -6.789 -1.970 1.00 0.00 N ATOM 1617 CA VAL A 101 -3.774 -6.942 -1.381 1.00 0.00 C ATOM 1618 C VAL A 101 -3.797 -6.502 0.093 1.00 0.00 C ATOM 1619 O VAL A 101 -3.172 -7.120 0.934 1.00 0.00 O ATOM 1620 CB VAL A 101 -2.836 -6.028 -2.194 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -1.403 -6.158 -1.662 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -2.873 -6.439 -3.671 1.00 0.00 C ATOM 0 H VAL A 101 -5.238 -6.089 -2.707 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.435 -7.977 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 101 -3.166 -4.994 -2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.741 -5.511 -2.238 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.376 -5.863 -0.613 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -1.072 -7.192 -1.757 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -2.210 -5.792 -4.245 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.545 -7.474 -3.769 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -3.891 -6.343 -4.050 1.00 0.00 H new ATOM 1632 N ILE A 102 -4.518 -5.444 0.418 1.00 0.00 N ATOM 1633 CA ILE A 102 -4.569 -4.989 1.856 1.00 0.00 C ATOM 1634 C ILE A 102 -5.129 -6.119 2.744 1.00 0.00 C ATOM 1635 O ILE A 102 -4.701 -6.284 3.871 1.00 0.00 O ATOM 1636 CB ILE A 102 -5.487 -3.748 1.900 1.00 0.00 C ATOM 1637 CG1 ILE A 102 -4.836 -2.611 1.103 1.00 0.00 C ATOM 1638 CG2 ILE A 102 -5.685 -3.288 3.349 1.00 0.00 C ATOM 1639 CD1 ILE A 102 -5.918 -1.680 0.544 1.00 0.00 C ATOM 0 H ILE A 102 -5.064 -4.885 -0.237 1.00 0.00 H new ATOM 0 HA ILE A 102 -3.576 -4.741 2.231 1.00 0.00 H new ATOM 0 HB ILE A 102 -6.454 -4.006 1.469 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -4.156 -2.049 1.743 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.240 -3.021 0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.334 -2.412 3.367 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.143 -4.091 3.926 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -4.719 -3.033 3.785 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -5.449 -0.875 -0.021 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -6.581 -2.245 -0.112 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -6.495 -1.258 1.367 1.00 0.00 H new ATOM 1651 N SER A 103 -6.077 -6.905 2.256 1.00 0.00 N ATOM 1652 CA SER A 103 -6.631 -8.023 3.110 1.00 0.00 C ATOM 1653 C SER A 103 -5.486 -8.931 3.581 1.00 0.00 C ATOM 1654 O SER A 103 -5.451 -9.345 4.725 1.00 0.00 O ATOM 1655 CB SER A 103 -7.608 -8.814 2.228 1.00 0.00 C ATOM 1656 OG SER A 103 -8.867 -8.154 2.210 1.00 0.00 O ATOM 0 H SER A 103 -6.483 -6.824 1.324 1.00 0.00 H new ATOM 0 HA SER A 103 -7.136 -7.633 3.994 1.00 0.00 H new ATOM 0 HB2 SER A 103 -7.214 -8.898 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 103 -7.722 -9.828 2.611 1.00 0.00 H new ATOM 0 HG SER A 103 -9.492 -8.656 1.646 1.00 0.00 H new ATOM 1662 N ALA A 104 -4.535 -9.229 2.715 1.00 0.00 N ATOM 1663 CA ALA A 104 -3.380 -10.096 3.149 1.00 0.00 C ATOM 1664 C ALA A 104 -2.638 -9.427 4.321 1.00 0.00 C ATOM 1665 O ALA A 104 -2.146 -10.098 5.208 1.00 0.00 O ATOM 1666 CB ALA A 104 -2.444 -10.230 1.937 1.00 0.00 C ATOM 0 H ALA A 104 -4.507 -8.916 1.745 1.00 0.00 H new ATOM 0 HA ALA A 104 -3.725 -11.074 3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -1.590 -10.852 2.204 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -2.984 -10.691 1.110 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -2.094 -9.242 1.637 1.00 0.00 H new ATOM 1672 N PHE A 105 -2.556 -8.105 4.340 1.00 0.00 N ATOM 1673 CA PHE A 105 -1.844 -7.411 5.477 1.00 0.00 C ATOM 1674 C PHE A 105 -2.459 -7.835 6.818 1.00 0.00 C ATOM 1675 O PHE A 105 -1.750 -8.073 7.778 1.00 0.00 O ATOM 1676 CB PHE A 105 -2.050 -5.900 5.266 1.00 0.00 C ATOM 1677 CG PHE A 105 -1.094 -5.122 6.138 1.00 0.00 C ATOM 1678 CD1 PHE A 105 -1.235 -5.136 7.533 1.00 0.00 C ATOM 1679 CD2 PHE A 105 -0.064 -4.380 5.552 1.00 0.00 C ATOM 1680 CE1 PHE A 105 -0.349 -4.414 8.331 1.00 0.00 C ATOM 1681 CE2 PHE A 105 0.821 -3.656 6.354 1.00 0.00 C ATOM 1682 CZ PHE A 105 0.678 -3.675 7.744 1.00 0.00 C ATOM 0 H PHE A 105 -2.945 -7.487 3.628 1.00 0.00 H new ATOM 0 HA PHE A 105 -0.785 -7.670 5.494 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.889 -5.645 4.218 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -3.078 -5.628 5.506 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -2.030 -5.706 7.989 1.00 0.00 H new ATOM 0 HD2 PHE A 105 0.047 -4.367 4.478 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.458 -4.427 9.405 1.00 0.00 H new ATOM 0 HE2 PHE A 105 1.615 -3.082 5.900 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.363 -3.117 8.364 1.00 0.00 H new ATOM 1692 N SER A 106 -3.771 -7.934 6.893 1.00 0.00 N ATOM 1693 CA SER A 106 -4.407 -8.349 8.193 1.00 0.00 C ATOM 1694 C SER A 106 -4.066 -9.816 8.491 1.00 0.00 C ATOM 1695 O SER A 106 -3.805 -10.171 9.625 1.00 0.00 O ATOM 1696 CB SER A 106 -5.923 -8.175 8.028 1.00 0.00 C ATOM 1697 OG SER A 106 -6.577 -8.616 9.210 1.00 0.00 O ATOM 0 H SER A 106 -4.418 -7.750 6.127 1.00 0.00 H new ATOM 0 HA SER A 106 -4.041 -7.744 9.022 1.00 0.00 H new ATOM 0 HB2 SER A 106 -6.162 -7.129 7.835 1.00 0.00 H new ATOM 0 HB3 SER A 106 -6.275 -8.746 7.169 1.00 0.00 H new ATOM 0 HG SER A 106 -7.545 -8.505 9.109 1.00 0.00 H new ATOM 1703 N THR A 107 -4.054 -10.672 7.487 1.00 0.00 N ATOM 1704 CA THR A 107 -3.710 -12.113 7.750 1.00 0.00 C ATOM 1705 C THR A 107 -2.209 -12.245 8.035 1.00 0.00 C ATOM 1706 O THR A 107 -1.812 -13.033 8.875 1.00 0.00 O ATOM 1707 CB THR A 107 -4.093 -12.903 6.488 1.00 0.00 C ATOM 1708 OG1 THR A 107 -5.264 -12.341 5.916 1.00 0.00 O ATOM 1709 CG2 THR A 107 -4.355 -14.364 6.860 1.00 0.00 C ATOM 0 H THR A 107 -4.263 -10.441 6.516 1.00 0.00 H new ATOM 0 HA THR A 107 -4.247 -12.496 8.618 1.00 0.00 H new ATOM 0 HB THR A 107 -3.277 -12.854 5.767 1.00 0.00 H new ATOM 0 HG1 THR A 107 -5.508 -12.843 5.110 1.00 0.00 H new ATOM 0 HG21 THR A 107 -4.627 -14.924 5.965 1.00 0.00 H new ATOM 0 HG22 THR A 107 -3.455 -14.795 7.299 1.00 0.00 H new ATOM 0 HG23 THR A 107 -5.170 -14.415 7.582 1.00 0.00 H new ATOM 1717 N MET A 108 -1.366 -11.475 7.370 1.00 0.00 N ATOM 1718 CA MET A 108 0.103 -11.579 7.665 1.00 0.00 C ATOM 1719 C MET A 108 0.390 -10.962 9.041 1.00 0.00 C ATOM 1720 O MET A 108 1.237 -11.444 9.769 1.00 0.00 O ATOM 1721 CB MET A 108 0.839 -10.803 6.568 1.00 0.00 C ATOM 1722 CG MET A 108 0.600 -11.475 5.212 1.00 0.00 C ATOM 1723 SD MET A 108 1.367 -13.116 5.198 1.00 0.00 S ATOM 1724 CE MET A 108 0.899 -13.570 3.511 1.00 0.00 C ATOM 0 H MET A 108 -1.626 -10.797 6.654 1.00 0.00 H new ATOM 0 HA MET A 108 0.433 -12.618 7.682 1.00 0.00 H new ATOM 0 HB2 MET A 108 0.488 -9.771 6.541 1.00 0.00 H new ATOM 0 HB3 MET A 108 1.907 -10.771 6.786 1.00 0.00 H new ATOM 0 HG2 MET A 108 -0.470 -11.562 5.022 1.00 0.00 H new ATOM 0 HG3 MET A 108 1.017 -10.862 4.413 1.00 0.00 H new ATOM 0 HE1 MET A 108 1.277 -14.567 3.284 1.00 0.00 H new ATOM 0 HE2 MET A 108 -0.187 -13.564 3.421 1.00 0.00 H new ATOM 0 HE3 MET A 108 1.325 -12.853 2.810 1.00 0.00 H new ATOM 1734 N MET A 109 -0.316 -9.907 9.418 1.00 0.00 N ATOM 1735 CA MET A 109 -0.068 -9.290 10.769 1.00 0.00 C ATOM 1736 C MET A 109 -0.279 -10.354 11.861 1.00 0.00 C ATOM 1737 O MET A 109 0.470 -10.413 12.812 1.00 0.00 O ATOM 1738 CB MET A 109 -1.087 -8.141 10.925 1.00 0.00 C ATOM 1739 CG MET A 109 -0.986 -7.521 12.330 1.00 0.00 C ATOM 1740 SD MET A 109 -2.446 -7.963 13.312 1.00 0.00 S ATOM 1741 CE MET A 109 -1.576 -8.387 14.840 1.00 0.00 C ATOM 0 H MET A 109 -1.039 -9.456 8.858 1.00 0.00 H new ATOM 0 HA MET A 109 0.950 -8.912 10.861 1.00 0.00 H new ATOM 0 HB2 MET A 109 -0.902 -7.377 10.170 1.00 0.00 H new ATOM 0 HB3 MET A 109 -2.097 -8.517 10.758 1.00 0.00 H new ATOM 0 HG2 MET A 109 -0.083 -7.874 12.828 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.905 -6.437 12.253 1.00 0.00 H new ATOM 0 HE1 MET A 109 -2.252 -8.923 15.507 1.00 0.00 H new ATOM 0 HE2 MET A 109 -0.719 -9.019 14.607 1.00 0.00 H new ATOM 0 HE3 MET A 109 -1.232 -7.475 15.328 1.00 0.00 H new ATOM 1751 N SER A 110 -1.274 -11.210 11.738 1.00 0.00 N ATOM 1752 CA SER A 110 -1.468 -12.263 12.806 1.00 0.00 C ATOM 1753 C SER A 110 -0.182 -13.092 12.987 1.00 0.00 C ATOM 1754 O SER A 110 0.109 -13.548 14.078 1.00 0.00 O ATOM 1755 CB SER A 110 -2.619 -13.165 12.347 1.00 0.00 C ATOM 1756 OG SER A 110 -2.199 -13.931 11.225 1.00 0.00 O ATOM 0 H SER A 110 -1.944 -11.230 10.969 1.00 0.00 H new ATOM 0 HA SER A 110 -1.697 -11.798 13.765 1.00 0.00 H new ATOM 0 HB2 SER A 110 -2.924 -13.825 13.159 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.487 -12.560 12.084 1.00 0.00 H new ATOM 0 HG SER A 110 -1.943 -13.329 10.495 1.00 0.00 H new ATOM 1762 N VAL A 111 0.600 -13.280 11.939 1.00 0.00 N ATOM 1763 CA VAL A 111 1.870 -14.072 12.098 1.00 0.00 C ATOM 1764 C VAL A 111 2.984 -13.218 12.744 1.00 0.00 C ATOM 1765 O VAL A 111 3.967 -13.761 13.216 1.00 0.00 O ATOM 1766 CB VAL A 111 2.290 -14.518 10.687 1.00 0.00 C ATOM 1767 CG1 VAL A 111 3.539 -15.399 10.776 1.00 0.00 C ATOM 1768 CG2 VAL A 111 1.154 -15.318 10.045 1.00 0.00 C ATOM 0 H VAL A 111 0.418 -12.927 11.000 1.00 0.00 H new ATOM 0 HA VAL A 111 1.707 -14.927 12.754 1.00 0.00 H new ATOM 0 HB VAL A 111 2.507 -13.638 10.082 1.00 0.00 H new ATOM 0 HG11 VAL A 111 3.834 -15.714 9.775 1.00 0.00 H new ATOM 0 HG12 VAL A 111 4.351 -14.834 11.233 1.00 0.00 H new ATOM 0 HG13 VAL A 111 3.322 -16.278 11.383 1.00 0.00 H new ATOM 0 HG21 VAL A 111 1.451 -15.634 9.045 1.00 0.00 H new ATOM 0 HG22 VAL A 111 0.938 -16.196 10.654 1.00 0.00 H new ATOM 0 HG23 VAL A 111 0.262 -14.694 9.978 1.00 0.00 H new ATOM 1778 N HIS A 112 2.853 -11.900 12.793 1.00 0.00 N ATOM 1779 CA HIS A 112 3.920 -11.076 13.433 1.00 0.00 C ATOM 1780 C HIS A 112 3.678 -10.979 14.961 1.00 0.00 C ATOM 1781 O HIS A 112 4.597 -10.693 15.708 1.00 0.00 O ATOM 1782 CB HIS A 112 3.866 -9.699 12.707 1.00 0.00 C ATOM 1783 CG HIS A 112 3.205 -8.631 13.546 1.00 0.00 C ATOM 1784 ND1 HIS A 112 1.898 -8.715 13.986 1.00 0.00 N ATOM 1785 CD2 HIS A 112 3.686 -7.467 14.042 1.00 0.00 C ATOM 1786 CE1 HIS A 112 1.644 -7.621 14.719 1.00 0.00 C ATOM 1787 NE2 HIS A 112 2.707 -6.819 14.787 1.00 0.00 N ATOM 0 H HIS A 112 2.061 -11.377 12.420 1.00 0.00 H new ATOM 0 HA HIS A 112 4.915 -11.509 13.333 1.00 0.00 H new ATOM 0 HB2 HIS A 112 4.879 -9.384 12.455 1.00 0.00 H new ATOM 0 HB3 HIS A 112 3.323 -9.807 11.768 1.00 0.00 H new ATOM 0 HD1 HIS A 112 1.244 -9.473 13.789 1.00 0.00 H new ATOM 0 HD2 HIS A 112 4.687 -7.095 13.882 1.00 0.00 H new ATOM 0 HE1 HIS A 112 0.697 -7.415 15.195 1.00 0.00 H new ATOM 1795 N ARG A 113 2.462 -11.209 15.438 1.00 0.00 N ATOM 1796 CA ARG A 113 2.224 -11.115 16.915 1.00 0.00 C ATOM 1797 C ARG A 113 2.358 -12.501 17.577 1.00 0.00 C ATOM 1798 O ARG A 113 2.756 -12.599 18.723 1.00 0.00 O ATOM 1799 CB ARG A 113 0.796 -10.577 17.084 1.00 0.00 C ATOM 1800 CG ARG A 113 0.643 -9.961 18.475 1.00 0.00 C ATOM 1801 CD ARG A 113 -0.348 -8.796 18.414 1.00 0.00 C ATOM 1802 NE ARG A 113 -1.183 -8.935 19.640 1.00 0.00 N ATOM 1803 CZ ARG A 113 -2.466 -9.150 19.534 1.00 0.00 C ATOM 1804 NH1 ARG A 113 -2.906 -10.113 18.772 1.00 0.00 N ATOM 1805 NH2 ARG A 113 -3.308 -8.399 20.190 1.00 0.00 N ATOM 0 H ARG A 113 1.646 -11.452 14.876 1.00 0.00 H new ATOM 0 HA ARG A 113 2.955 -10.462 17.391 1.00 0.00 H new ATOM 0 HB2 ARG A 113 0.585 -9.830 16.319 1.00 0.00 H new ATOM 0 HB3 ARG A 113 0.074 -11.383 16.950 1.00 0.00 H new ATOM 0 HG2 ARG A 113 0.292 -10.714 19.181 1.00 0.00 H new ATOM 0 HG3 ARG A 113 1.610 -9.611 18.837 1.00 0.00 H new ATOM 0 HD2 ARG A 113 0.171 -7.837 18.396 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -0.959 -8.845 17.513 1.00 0.00 H new ATOM 0 HE ARG A 113 -0.752 -8.862 20.562 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -2.247 -10.699 18.259 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -3.909 -10.280 18.690 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -2.963 -7.645 20.784 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -4.311 -8.566 20.108 1.00 0.00 H new ATOM 1819 N GLY A 114 2.028 -13.575 16.880 1.00 0.00 N ATOM 1820 CA GLY A 114 2.142 -14.932 17.494 1.00 0.00 C ATOM 1821 C GLY A 114 3.617 -15.364 17.561 1.00 0.00 C ATOM 1822 O GLY A 114 4.024 -16.015 18.505 1.00 0.00 O ATOM 0 H GLY A 114 1.687 -13.562 15.919 1.00 0.00 H new ATOM 0 HA2 GLY A 114 1.713 -14.923 18.496 1.00 0.00 H new ATOM 0 HA3 GLY A 114 1.571 -15.653 16.909 1.00 0.00 H new ATOM 2000 N GLU B 7 9.958 -9.163 -7.559 1.00 0.00 N ATOM 2001 CA GLU B 7 9.587 -8.390 -6.331 1.00 0.00 C ATOM 2002 C GLU B 7 10.801 -7.581 -5.829 1.00 0.00 C ATOM 2003 O GLU B 7 10.937 -7.339 -4.645 1.00 0.00 O ATOM 2004 CB GLU B 7 9.166 -9.434 -5.289 1.00 0.00 C ATOM 2005 CG GLU B 7 7.985 -10.253 -5.824 1.00 0.00 C ATOM 2006 CD GLU B 7 8.489 -11.598 -6.355 1.00 0.00 C ATOM 2007 OE1 GLU B 7 9.595 -11.635 -6.869 1.00 0.00 O ATOM 2008 OE2 GLU B 7 7.760 -12.569 -6.238 1.00 0.00 O ATOM 0 HA GLU B 7 8.784 -7.680 -6.526 1.00 0.00 H new ATOM 0 HB2 GLU B 7 10.004 -10.093 -5.061 1.00 0.00 H new ATOM 0 HB3 GLU B 7 8.886 -8.940 -4.358 1.00 0.00 H new ATOM 0 HG2 GLU B 7 7.254 -10.415 -5.032 1.00 0.00 H new ATOM 0 HG3 GLU B 7 7.479 -9.704 -6.618 1.00 0.00 H new ATOM 2015 N VAL B 8 11.686 -7.156 -6.718 1.00 0.00 N ATOM 2016 CA VAL B 8 12.888 -6.359 -6.272 1.00 0.00 C ATOM 2017 C VAL B 8 12.450 -5.144 -5.431 1.00 0.00 C ATOM 2018 O VAL B 8 13.133 -4.757 -4.500 1.00 0.00 O ATOM 2019 CB VAL B 8 13.611 -5.900 -7.556 1.00 0.00 C ATOM 2020 CG1 VAL B 8 12.688 -5.007 -8.396 1.00 0.00 C ATOM 2021 CG2 VAL B 8 14.876 -5.121 -7.182 1.00 0.00 C ATOM 0 H VAL B 8 11.628 -7.325 -7.722 1.00 0.00 H new ATOM 0 HA VAL B 8 13.547 -6.960 -5.645 1.00 0.00 H new ATOM 0 HB VAL B 8 13.882 -6.779 -8.142 1.00 0.00 H new ATOM 0 HG11 VAL B 8 13.211 -4.690 -9.299 1.00 0.00 H new ATOM 0 HG12 VAL B 8 11.794 -5.566 -8.672 1.00 0.00 H new ATOM 0 HG13 VAL B 8 12.403 -4.130 -7.815 1.00 0.00 H new ATOM 0 HG21 VAL B 8 15.386 -4.797 -8.090 1.00 0.00 H new ATOM 0 HG22 VAL B 8 14.604 -4.249 -6.588 1.00 0.00 H new ATOM 0 HG23 VAL B 8 15.540 -5.762 -6.602 1.00 0.00 H new ATOM 2031 N SER B 9 11.317 -4.543 -5.736 1.00 0.00 N ATOM 2032 CA SER B 9 10.863 -3.365 -4.916 1.00 0.00 C ATOM 2033 C SER B 9 10.485 -3.838 -3.502 1.00 0.00 C ATOM 2034 O SER B 9 10.745 -3.155 -2.530 1.00 0.00 O ATOM 2035 CB SER B 9 9.638 -2.769 -5.625 1.00 0.00 C ATOM 2036 OG SER B 9 9.645 -1.356 -5.468 1.00 0.00 O ATOM 0 H SER B 9 10.698 -4.810 -6.501 1.00 0.00 H new ATOM 0 HA SER B 9 11.652 -2.619 -4.823 1.00 0.00 H new ATOM 0 HB2 SER B 9 9.654 -3.029 -6.683 1.00 0.00 H new ATOM 0 HB3 SER B 9 8.722 -3.188 -5.208 1.00 0.00 H new ATOM 0 HG SER B 9 9.522 -0.929 -6.342 1.00 0.00 H new ATOM 2042 N SER B 10 9.880 -5.006 -3.375 1.00 0.00 N ATOM 2043 CA SER B 10 9.504 -5.502 -2.003 1.00 0.00 C ATOM 2044 C SER B 10 10.769 -5.799 -1.187 1.00 0.00 C ATOM 2045 O SER B 10 10.879 -5.382 -0.048 1.00 0.00 O ATOM 2046 CB SER B 10 8.688 -6.788 -2.202 1.00 0.00 C ATOM 2047 OG SER B 10 7.312 -6.455 -2.336 1.00 0.00 O ATOM 0 H SER B 10 9.635 -5.626 -4.147 1.00 0.00 H new ATOM 0 HA SER B 10 8.925 -4.754 -1.461 1.00 0.00 H new ATOM 0 HB2 SER B 10 9.034 -7.318 -3.089 1.00 0.00 H new ATOM 0 HB3 SER B 10 8.831 -7.458 -1.354 1.00 0.00 H new ATOM 0 HG SER B 10 6.788 -7.273 -2.465 1.00 0.00 H new ATOM 2053 N ILE B 11 11.733 -6.507 -1.752 1.00 0.00 N ATOM 2054 CA ILE B 11 12.985 -6.797 -0.963 1.00 0.00 C ATOM 2055 C ILE B 11 13.684 -5.476 -0.582 1.00 0.00 C ATOM 2056 O ILE B 11 14.287 -5.379 0.470 1.00 0.00 O ATOM 2057 CB ILE B 11 13.902 -7.674 -1.843 1.00 0.00 C ATOM 2058 CG1 ILE B 11 14.316 -6.916 -3.108 1.00 0.00 C ATOM 2059 CG2 ILE B 11 13.163 -8.954 -2.243 1.00 0.00 C ATOM 2060 CD1 ILE B 11 15.419 -7.692 -3.829 1.00 0.00 C ATOM 0 H ILE B 11 11.709 -6.886 -2.698 1.00 0.00 H new ATOM 0 HA ILE B 11 12.748 -7.323 -0.038 1.00 0.00 H new ATOM 0 HB ILE B 11 14.795 -7.925 -1.270 1.00 0.00 H new ATOM 0 HG12 ILE B 11 13.457 -6.788 -3.766 1.00 0.00 H new ATOM 0 HG13 ILE B 11 14.669 -5.918 -2.848 1.00 0.00 H new ATOM 0 HG21 ILE B 11 13.813 -9.570 -2.864 1.00 0.00 H new ATOM 0 HG22 ILE B 11 12.885 -9.509 -1.347 1.00 0.00 H new ATOM 0 HG23 ILE B 11 12.265 -8.695 -2.803 1.00 0.00 H new ATOM 0 HD11 ILE B 11 15.714 -7.153 -4.729 1.00 0.00 H new ATOM 0 HD12 ILE B 11 16.281 -7.797 -3.170 1.00 0.00 H new ATOM 0 HD13 ILE B 11 15.049 -8.680 -4.102 1.00 0.00 H new ATOM 2072 N LEU B 12 13.604 -4.452 -1.419 1.00 0.00 N ATOM 2073 CA LEU B 12 14.270 -3.148 -1.061 1.00 0.00 C ATOM 2074 C LEU B 12 13.690 -2.597 0.254 1.00 0.00 C ATOM 2075 O LEU B 12 14.404 -2.010 1.044 1.00 0.00 O ATOM 2076 CB LEU B 12 13.984 -2.169 -2.212 1.00 0.00 C ATOM 2077 CG LEU B 12 14.885 -0.941 -2.073 1.00 0.00 C ATOM 2078 CD1 LEU B 12 16.218 -1.202 -2.776 1.00 0.00 C ATOM 2079 CD2 LEU B 12 14.199 0.268 -2.713 1.00 0.00 C ATOM 0 H LEU B 12 13.117 -4.464 -2.315 1.00 0.00 H new ATOM 0 HA LEU B 12 15.342 -3.286 -0.921 1.00 0.00 H new ATOM 0 HB2 LEU B 12 14.161 -2.657 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU B 12 12.936 -1.868 -2.196 1.00 0.00 H new ATOM 0 HG LEU B 12 15.066 -0.741 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU B 12 16.859 -0.326 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU B 12 16.707 -2.063 -2.321 1.00 0.00 H new ATOM 0 HD13 LEU B 12 16.039 -1.402 -3.832 1.00 0.00 H new ATOM 0 HD21 LEU B 12 14.840 1.144 -2.615 1.00 0.00 H new ATOM 0 HD22 LEU B 12 14.018 0.067 -3.769 1.00 0.00 H new ATOM 0 HD23 LEU B 12 13.249 0.455 -2.212 1.00 0.00 H new ATOM 2091 N GLU B 13 12.402 -2.779 0.504 1.00 0.00 N ATOM 2092 CA GLU B 13 11.811 -2.250 1.791 1.00 0.00 C ATOM 2093 C GLU B 13 12.576 -2.814 2.999 1.00 0.00 C ATOM 2094 O GLU B 13 12.800 -2.118 3.971 1.00 0.00 O ATOM 2095 CB GLU B 13 10.345 -2.710 1.829 1.00 0.00 C ATOM 2096 CG GLU B 13 9.454 -1.645 1.183 1.00 0.00 C ATOM 2097 CD GLU B 13 8.353 -2.322 0.364 1.00 0.00 C ATOM 2098 OE1 GLU B 13 7.646 -3.144 0.923 1.00 0.00 O ATOM 2099 OE2 GLU B 13 8.236 -2.008 -0.810 1.00 0.00 O ATOM 0 H GLU B 13 11.748 -3.260 -0.113 1.00 0.00 H new ATOM 0 HA GLU B 13 11.881 -1.163 1.835 1.00 0.00 H new ATOM 0 HB2 GLU B 13 10.237 -3.658 1.301 1.00 0.00 H new ATOM 0 HB3 GLU B 13 10.034 -2.882 2.859 1.00 0.00 H new ATOM 0 HG2 GLU B 13 9.011 -1.012 1.952 1.00 0.00 H new ATOM 0 HG3 GLU B 13 10.052 -0.997 0.542 1.00 0.00 H new ATOM 2106 N GLU B 14 12.993 -4.068 2.948 1.00 0.00 N ATOM 2107 CA GLU B 14 13.759 -4.647 4.114 1.00 0.00 C ATOM 2108 C GLU B 14 15.001 -3.786 4.412 1.00 0.00 C ATOM 2109 O GLU B 14 15.375 -3.613 5.556 1.00 0.00 O ATOM 2110 CB GLU B 14 14.187 -6.065 3.704 1.00 0.00 C ATOM 2111 CG GLU B 14 13.027 -7.036 3.932 1.00 0.00 C ATOM 2112 CD GLU B 14 13.579 -8.431 4.228 1.00 0.00 C ATOM 2113 OE1 GLU B 14 14.272 -8.573 5.223 1.00 0.00 O ATOM 2114 OE2 GLU B 14 13.301 -9.334 3.457 1.00 0.00 O ATOM 0 H GLU B 14 12.840 -4.704 2.166 1.00 0.00 H new ATOM 0 HA GLU B 14 13.144 -4.668 5.014 1.00 0.00 H new ATOM 0 HB2 GLU B 14 14.484 -6.077 2.655 1.00 0.00 H new ATOM 0 HB3 GLU B 14 15.055 -6.376 4.285 1.00 0.00 H new ATOM 0 HG2 GLU B 14 12.410 -6.694 4.763 1.00 0.00 H new ATOM 0 HG3 GLU B 14 12.386 -7.067 3.051 1.00 0.00 H new