USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 811 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 50 THR OG1 : rot 67:sc= 0.967 USER MOD Set 1.2: A 98 TYR OH : rot 30:sc= -0.644 USER MOD Set 1.3: A 100 MET CE :methyl 156:sc= -4.21 (180deg=-3.07!) USER MOD Set 2.1: A 72 SER OG : rot 123:sc= -0.597 USER MOD Set 2.2: A 94 TYR OH : rot 151:sc= 1.17 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=-0.071) USER MOD Single : A 14 THR OG1 : rot 98:sc= 0.576 USER MOD Single : A 32 GLN : amide:sc= -0.174 K(o=-0.17,f=-1.3) USER MOD Single : A 38 ASN : amide:sc= -0.114 X(o=-0.11,f=-0.23) USER MOD Single : A 41 GLN : amide:sc= -2.5! C(o=-2.5!,f=-1.3!) USER MOD Single : A 42 TYR OH : rot 180:sc= -1.24 USER MOD Single : A 43 ASN : amide:sc= -8.53! C(o=-8.5!,f=-12!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.476 X(o=-0.48,f=-0.075) USER MOD Single : A 60 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.00815) USER MOD Single : A 61 ASN : amide:sc= -1.14 K(o=-1.1,f=-0.14) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 104:sc= -0.945 USER MOD Single : A 70 THR OG1 : rot -1:sc= -0.424 USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 91:sc= 0.652 USER MOD Single : A 87 ASN : amide:sc= -0.441 X(o=-0.44,f=-0.13) USER MOD Single : A 89 ASN : amide:sc= -2.88 K(o=-2.9,f=-2.1!) USER MOD Single : A 90 THR OG1 : rot -130:sc= -0.463 USER MOD Single : A 91 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 153:sc= -1.4 USER MOD Single : A 99 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= -1.69! USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 160:sc= -0.0114 (180deg=-0.134) USER MOD Single : A 108 HIS : no HD1:sc= -0.506 X(o=-0.51,f=-0.17) USER MOD Single : A 109 MET CE :methyl 170:sc= -1.51 (180deg=-2.09) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= -0.0638 (180deg=-0.0638) USER MOD Single : A 117 SER OG : rot -172:sc= -1.48! USER MOD Single : A 118 TYR OH : rot 180:sc= -3.21! USER MOD Single : A 123 LYS NZ :NH3+ 179:sc= 0.0303 (180deg=-0.141) USER MOD ----------------------------------------------------------------- ATOM 131 N ASP A 10 13.520 3.074 1.491 1.00 0.00 N ATOM 132 CA ASP A 10 13.193 4.352 0.814 1.00 0.00 C ATOM 133 C ASP A 10 12.212 3.983 -0.283 1.00 0.00 C ATOM 134 O ASP A 10 12.596 3.648 -1.384 1.00 0.00 O ATOM 135 CB ASP A 10 14.456 4.969 0.206 1.00 0.00 C ATOM 136 CG ASP A 10 15.133 5.870 1.240 1.00 0.00 C ATOM 137 OD1 ASP A 10 14.420 6.526 1.982 1.00 0.00 O ATOM 138 OD2 ASP A 10 16.353 5.887 1.274 1.00 0.00 O ATOM 0 HA ASP A 10 12.777 5.084 1.506 1.00 0.00 H new ATOM 0 HB2 ASP A 10 15.141 4.183 -0.111 1.00 0.00 H new ATOM 0 HB3 ASP A 10 14.200 5.546 -0.683 1.00 0.00 H new ATOM 143 N ILE A 11 10.950 3.977 0.026 1.00 0.00 N ATOM 144 CA ILE A 11 9.952 3.558 -0.977 1.00 0.00 C ATOM 145 C ILE A 11 9.637 4.680 -1.940 1.00 0.00 C ATOM 146 O ILE A 11 9.866 4.554 -3.108 1.00 0.00 O ATOM 147 CB ILE A 11 8.665 3.130 -0.303 1.00 0.00 C ATOM 148 CG1 ILE A 11 8.928 2.493 1.058 1.00 0.00 C ATOM 149 CG2 ILE A 11 7.967 2.108 -1.188 1.00 0.00 C ATOM 150 CD1 ILE A 11 9.835 1.282 0.871 1.00 0.00 C ATOM 0 H ILE A 11 10.570 4.246 0.934 1.00 0.00 H new ATOM 0 HA ILE A 11 10.382 2.721 -1.526 1.00 0.00 H new ATOM 0 HB ILE A 11 8.047 4.015 -0.155 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.396 3.215 1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 11 7.988 2.192 1.521 1.00 0.00 H new ATOM 0 HG21 ILE A 11 7.038 1.791 -0.714 1.00 0.00 H new ATOM 0 HG22 ILE A 11 7.746 2.556 -2.157 1.00 0.00 H new ATOM 0 HG23 ILE A 11 8.616 1.244 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 11 10.029 0.820 1.839 1.00 0.00 H new ATOM 0 HD12 ILE A 11 9.348 0.560 0.215 1.00 0.00 H new ATOM 0 HD13 ILE A 11 10.778 1.599 0.425 1.00 0.00 H new ATOM 162 N GLU A 12 9.078 5.761 -1.475 1.00 0.00 N ATOM 163 CA GLU A 12 8.713 6.869 -2.409 1.00 0.00 C ATOM 164 C GLU A 12 9.849 7.140 -3.413 1.00 0.00 C ATOM 165 O GLU A 12 9.616 7.589 -4.518 1.00 0.00 O ATOM 166 CB GLU A 12 8.415 8.141 -1.613 1.00 0.00 C ATOM 167 CG GLU A 12 7.603 9.105 -2.478 1.00 0.00 C ATOM 168 CD GLU A 12 8.139 10.526 -2.299 1.00 0.00 C ATOM 169 OE1 GLU A 12 9.243 10.783 -2.749 1.00 0.00 O ATOM 170 OE2 GLU A 12 7.434 11.335 -1.718 1.00 0.00 O ATOM 0 H GLU A 12 8.857 5.928 -0.493 1.00 0.00 H new ATOM 0 HA GLU A 12 7.825 6.569 -2.966 1.00 0.00 H new ATOM 0 HB2 GLU A 12 7.862 7.894 -0.707 1.00 0.00 H new ATOM 0 HB3 GLU A 12 9.346 8.613 -1.299 1.00 0.00 H new ATOM 0 HG2 GLU A 12 7.665 8.811 -3.526 1.00 0.00 H new ATOM 0 HG3 GLU A 12 6.551 9.064 -2.197 1.00 0.00 H new ATOM 177 N ASN A 13 11.068 6.849 -3.046 1.00 0.00 N ATOM 178 CA ASN A 13 12.202 7.064 -3.990 1.00 0.00 C ATOM 179 C ASN A 13 12.400 5.784 -4.805 1.00 0.00 C ATOM 180 O ASN A 13 12.667 5.819 -5.988 1.00 0.00 O ATOM 181 CB ASN A 13 13.476 7.373 -3.201 1.00 0.00 C ATOM 182 CG ASN A 13 14.552 7.900 -4.152 1.00 0.00 C ATOM 183 OD1 ASN A 13 14.368 8.912 -4.797 1.00 0.00 O ATOM 184 ND2 ASN A 13 15.680 7.251 -4.267 1.00 0.00 N ATOM 0 H ASN A 13 11.327 6.472 -2.134 1.00 0.00 H new ATOM 0 HA ASN A 13 11.985 7.902 -4.653 1.00 0.00 H new ATOM 0 HB2 ASN A 13 13.267 8.112 -2.427 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.831 6.474 -2.696 1.00 0.00 H new ATOM 0 HD21 ASN A 13 16.404 7.595 -4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 13 15.837 6.401 -3.726 1.00 0.00 H new ATOM 191 N THR A 14 12.248 4.652 -4.173 1.00 0.00 N ATOM 192 CA THR A 14 12.396 3.350 -4.888 1.00 0.00 C ATOM 193 C THR A 14 11.146 3.099 -5.750 1.00 0.00 C ATOM 194 O THR A 14 11.084 2.150 -6.506 1.00 0.00 O ATOM 195 CB THR A 14 12.544 2.231 -3.833 1.00 0.00 C ATOM 196 OG1 THR A 14 13.880 2.217 -3.352 1.00 0.00 O ATOM 197 CG2 THR A 14 12.209 0.860 -4.437 1.00 0.00 C ATOM 0 H THR A 14 12.025 4.572 -3.181 1.00 0.00 H new ATOM 0 HA THR A 14 13.273 3.366 -5.535 1.00 0.00 H new ATOM 0 HB THR A 14 11.850 2.429 -3.016 1.00 0.00 H new ATOM 0 HG1 THR A 14 13.927 2.704 -2.503 1.00 0.00 H new ATOM 0 HG21 THR A 14 12.321 0.089 -3.674 1.00 0.00 H new ATOM 0 HG22 THR A 14 11.182 0.864 -4.801 1.00 0.00 H new ATOM 0 HG23 THR A 14 12.886 0.652 -5.265 1.00 0.00 H new ATOM 205 N LEU A 15 10.151 3.929 -5.627 1.00 0.00 N ATOM 206 CA LEU A 15 8.908 3.743 -6.412 1.00 0.00 C ATOM 207 C LEU A 15 8.944 4.666 -7.631 1.00 0.00 C ATOM 208 O LEU A 15 8.342 4.396 -8.651 1.00 0.00 O ATOM 209 CB LEU A 15 7.712 4.088 -5.517 1.00 0.00 C ATOM 210 CG LEU A 15 7.669 3.153 -4.308 1.00 0.00 C ATOM 211 CD1 LEU A 15 6.751 3.748 -3.241 1.00 0.00 C ATOM 212 CD2 LEU A 15 7.130 1.785 -4.729 1.00 0.00 C ATOM 0 H LEU A 15 10.149 4.739 -5.007 1.00 0.00 H new ATOM 0 HA LEU A 15 8.819 2.712 -6.754 1.00 0.00 H new ATOM 0 HB2 LEU A 15 7.785 5.123 -5.183 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.786 4.001 -6.086 1.00 0.00 H new ATOM 0 HG LEU A 15 8.676 3.037 -3.908 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.718 3.084 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 15 7.132 4.722 -2.935 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.747 3.863 -3.648 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.102 1.123 -3.863 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.124 1.899 -5.132 1.00 0.00 H new ATOM 0 HD23 LEU A 15 7.780 1.357 -5.492 1.00 0.00 H new ATOM 224 N ALA A 16 9.645 5.763 -7.520 1.00 0.00 N ATOM 225 CA ALA A 16 9.728 6.726 -8.655 1.00 0.00 C ATOM 226 C ALA A 16 10.949 6.406 -9.519 1.00 0.00 C ATOM 227 O ALA A 16 10.982 6.700 -10.698 1.00 0.00 O ATOM 228 CB ALA A 16 9.858 8.144 -8.096 1.00 0.00 C ATOM 0 H ALA A 16 10.167 6.034 -6.686 1.00 0.00 H new ATOM 0 HA ALA A 16 8.829 6.648 -9.266 1.00 0.00 H new ATOM 0 HB1 ALA A 16 9.919 8.856 -8.919 1.00 0.00 H new ATOM 0 HB2 ALA A 16 8.987 8.374 -7.482 1.00 0.00 H new ATOM 0 HB3 ALA A 16 10.760 8.214 -7.488 1.00 0.00 H new ATOM 340 N ASP A 24 9.897 -5.326 -6.059 1.00 0.00 N ATOM 341 CA ASP A 24 9.339 -6.690 -5.818 1.00 0.00 C ATOM 342 C ASP A 24 10.139 -7.407 -4.719 1.00 0.00 C ATOM 343 O ASP A 24 9.776 -8.480 -4.282 1.00 0.00 O ATOM 344 CB ASP A 24 9.416 -7.503 -7.115 1.00 0.00 C ATOM 345 CG ASP A 24 8.198 -7.195 -7.992 1.00 0.00 C ATOM 346 OD1 ASP A 24 7.426 -6.325 -7.624 1.00 0.00 O ATOM 347 OD2 ASP A 24 8.059 -7.837 -9.020 1.00 0.00 O ATOM 0 HA ASP A 24 8.301 -6.598 -5.497 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.333 -7.262 -7.652 1.00 0.00 H new ATOM 0 HB3 ASP A 24 9.451 -8.568 -6.886 1.00 0.00 H new ATOM 352 N GLY A 25 11.222 -6.829 -4.268 1.00 0.00 N ATOM 353 CA GLY A 25 12.032 -7.486 -3.202 1.00 0.00 C ATOM 354 C GLY A 25 11.730 -6.833 -1.852 1.00 0.00 C ATOM 355 O GLY A 25 12.590 -6.717 -1.002 1.00 0.00 O ATOM 0 H GLY A 25 11.580 -5.931 -4.592 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.803 -8.551 -3.162 1.00 0.00 H new ATOM 0 HA3 GLY A 25 13.094 -7.397 -3.431 1.00 0.00 H new ATOM 359 N LEU A 26 10.515 -6.407 -1.647 1.00 0.00 N ATOM 360 CA LEU A 26 10.156 -5.765 -0.362 1.00 0.00 C ATOM 361 C LEU A 26 9.223 -6.689 0.421 1.00 0.00 C ATOM 362 O LEU A 26 8.426 -7.414 -0.140 1.00 0.00 O ATOM 363 CB LEU A 26 9.441 -4.437 -0.631 1.00 0.00 C ATOM 364 CG LEU A 26 10.349 -3.508 -1.441 1.00 0.00 C ATOM 365 CD1 LEU A 26 9.490 -2.512 -2.223 1.00 0.00 C ATOM 366 CD2 LEU A 26 11.271 -2.741 -0.489 1.00 0.00 C ATOM 0 H LEU A 26 9.754 -6.479 -2.322 1.00 0.00 H new ATOM 0 HA LEU A 26 11.062 -5.579 0.215 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.514 -4.617 -1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.170 -3.963 0.312 1.00 0.00 H new ATOM 0 HG LEU A 26 10.948 -4.099 -2.134 1.00 0.00 H new ATOM 0 HD11 LEU A 26 10.135 -1.850 -2.800 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.829 -3.054 -2.899 1.00 0.00 H new ATOM 0 HD13 LEU A 26 8.893 -1.922 -1.528 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.918 -2.079 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 26 10.670 -2.150 0.202 1.00 0.00 H new ATOM 0 HD23 LEU A 26 11.882 -3.447 0.073 1.00 0.00 H new ATOM 378 N ALA A 27 9.316 -6.646 1.713 1.00 0.00 N ATOM 379 CA ALA A 27 8.436 -7.497 2.573 1.00 0.00 C ATOM 380 C ALA A 27 7.184 -6.697 2.968 1.00 0.00 C ATOM 381 O ALA A 27 6.518 -6.987 3.951 1.00 0.00 O ATOM 382 CB ALA A 27 9.201 -7.905 3.833 1.00 0.00 C ATOM 0 H ALA A 27 9.970 -6.053 2.224 1.00 0.00 H new ATOM 0 HA ALA A 27 8.138 -8.390 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.562 -8.525 4.462 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.091 -8.469 3.552 1.00 0.00 H new ATOM 0 HB3 ALA A 27 9.496 -7.012 4.385 1.00 0.00 H new ATOM 388 N PHE A 28 6.861 -5.694 2.198 1.00 0.00 N ATOM 389 CA PHE A 28 5.671 -4.867 2.491 1.00 0.00 C ATOM 390 C PHE A 28 5.208 -4.225 1.190 1.00 0.00 C ATOM 391 O PHE A 28 5.908 -3.452 0.565 1.00 0.00 O ATOM 392 CB PHE A 28 5.972 -3.803 3.562 1.00 0.00 C ATOM 393 CG PHE A 28 7.151 -2.915 3.198 1.00 0.00 C ATOM 394 CD1 PHE A 28 8.374 -3.458 2.767 1.00 0.00 C ATOM 395 CD2 PHE A 28 7.019 -1.529 3.325 1.00 0.00 C ATOM 396 CE1 PHE A 28 9.449 -2.615 2.462 1.00 0.00 C ATOM 397 CE2 PHE A 28 8.092 -0.693 3.022 1.00 0.00 C ATOM 398 CZ PHE A 28 9.310 -1.234 2.589 1.00 0.00 C ATOM 0 H PHE A 28 7.383 -5.414 1.368 1.00 0.00 H new ATOM 0 HA PHE A 28 4.879 -5.496 2.897 1.00 0.00 H new ATOM 0 HB2 PHE A 28 5.088 -3.183 3.709 1.00 0.00 H new ATOM 0 HB3 PHE A 28 6.176 -4.298 4.512 1.00 0.00 H new ATOM 0 HD1 PHE A 28 8.484 -4.528 2.671 1.00 0.00 H new ATOM 0 HD2 PHE A 28 6.083 -1.105 3.659 1.00 0.00 H new ATOM 0 HE1 PHE A 28 10.386 -3.035 2.128 1.00 0.00 H new ATOM 0 HE2 PHE A 28 7.984 0.377 3.121 1.00 0.00 H new ATOM 0 HZ PHE A 28 10.139 -0.583 2.354 1.00 0.00 H new ATOM 408 N GLY A 29 4.038 -4.587 0.773 1.00 0.00 N ATOM 409 CA GLY A 29 3.481 -4.071 -0.509 1.00 0.00 C ATOM 410 C GLY A 29 3.565 -2.553 -0.566 1.00 0.00 C ATOM 411 O GLY A 29 3.075 -1.871 0.300 1.00 0.00 O ATOM 0 H GLY A 29 3.426 -5.232 1.273 1.00 0.00 H new ATOM 0 HA2 GLY A 29 4.029 -4.501 -1.347 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.443 -4.386 -0.612 1.00 0.00 H new ATOM 415 N ALA A 30 4.142 -2.017 -1.607 1.00 0.00 N ATOM 416 CA ALA A 30 4.205 -0.536 -1.732 1.00 0.00 C ATOM 417 C ALA A 30 3.206 -0.137 -2.814 1.00 0.00 C ATOM 418 O ALA A 30 3.552 0.023 -3.969 1.00 0.00 O ATOM 419 CB ALA A 30 5.619 -0.087 -2.122 1.00 0.00 C ATOM 0 H ALA A 30 4.570 -2.539 -2.372 1.00 0.00 H new ATOM 0 HA ALA A 30 3.962 -0.059 -0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 30 5.645 0.999 -2.209 1.00 0.00 H new ATOM 0 HB2 ALA A 30 6.326 -0.407 -1.357 1.00 0.00 H new ATOM 0 HB3 ALA A 30 5.892 -0.534 -3.078 1.00 0.00 H new ATOM 425 N ILE A 31 1.955 -0.023 -2.457 1.00 0.00 N ATOM 426 CA ILE A 31 0.919 0.312 -3.470 1.00 0.00 C ATOM 427 C ILE A 31 0.709 1.825 -3.553 1.00 0.00 C ATOM 428 O ILE A 31 0.899 2.544 -2.597 1.00 0.00 O ATOM 429 CB ILE A 31 -0.406 -0.379 -3.088 1.00 0.00 C ATOM 430 CG1 ILE A 31 -1.068 0.338 -1.903 1.00 0.00 C ATOM 431 CG2 ILE A 31 -0.131 -1.827 -2.688 1.00 0.00 C ATOM 432 CD1 ILE A 31 -1.976 1.452 -2.427 1.00 0.00 C ATOM 0 H ILE A 31 1.608 -0.148 -1.506 1.00 0.00 H new ATOM 0 HA ILE A 31 1.253 -0.040 -4.446 1.00 0.00 H new ATOM 0 HB ILE A 31 -1.072 -0.343 -3.950 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.648 -0.371 -1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -0.306 0.754 -1.244 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.068 -2.314 -2.418 1.00 0.00 H new ATOM 0 HG22 ILE A 31 0.325 -2.355 -3.525 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.547 -1.846 -1.835 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -2.447 1.963 -1.587 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -1.383 2.166 -2.999 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.745 1.023 -3.069 1.00 0.00 H new ATOM 444 N GLN A 32 0.285 2.298 -4.686 1.00 0.00 N ATOM 445 CA GLN A 32 0.014 3.751 -4.837 1.00 0.00 C ATOM 446 C GLN A 32 -1.406 3.886 -5.381 1.00 0.00 C ATOM 447 O GLN A 32 -1.994 2.918 -5.817 1.00 0.00 O ATOM 448 CB GLN A 32 1.019 4.436 -5.791 1.00 0.00 C ATOM 449 CG GLN A 32 1.978 3.426 -6.450 1.00 0.00 C ATOM 450 CD GLN A 32 3.273 4.139 -6.842 1.00 0.00 C ATOM 451 OE1 GLN A 32 4.347 3.587 -6.709 1.00 0.00 O ATOM 452 NE2 GLN A 32 3.217 5.350 -7.322 1.00 0.00 N ATOM 0 H GLN A 32 0.113 1.737 -5.521 1.00 0.00 H new ATOM 0 HA GLN A 32 0.122 4.245 -3.872 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.473 4.974 -6.566 1.00 0.00 H new ATOM 0 HB3 GLN A 32 1.597 5.175 -5.237 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.193 2.609 -5.761 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.511 2.985 -7.331 1.00 0.00 H new ATOM 0 HE21 GLN A 32 2.315 5.813 -7.434 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.075 5.834 -7.586 1.00 0.00 H new ATOM 461 N LEU A 33 -1.982 5.056 -5.350 1.00 0.00 N ATOM 462 CA LEU A 33 -3.376 5.195 -5.864 1.00 0.00 C ATOM 463 C LEU A 33 -3.568 6.584 -6.480 1.00 0.00 C ATOM 464 O LEU A 33 -2.799 7.493 -6.235 1.00 0.00 O ATOM 465 CB LEU A 33 -4.370 5.037 -4.709 1.00 0.00 C ATOM 466 CG LEU A 33 -4.251 3.642 -4.091 1.00 0.00 C ATOM 467 CD1 LEU A 33 -5.086 3.582 -2.810 1.00 0.00 C ATOM 468 CD2 LEU A 33 -4.771 2.598 -5.083 1.00 0.00 C ATOM 0 H LEU A 33 -1.556 5.912 -4.996 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.549 4.426 -6.617 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.179 5.796 -3.950 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.386 5.196 -5.070 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.206 3.435 -3.858 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.003 2.589 -2.368 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -4.721 4.326 -2.102 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.130 3.788 -3.046 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.686 1.604 -4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.816 2.805 -5.314 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.181 2.641 -5.999 1.00 0.00 H new ATOM 480 N ASP A 34 -4.599 6.764 -7.265 1.00 0.00 N ATOM 481 CA ASP A 34 -4.837 8.104 -7.874 1.00 0.00 C ATOM 482 C ASP A 34 -6.308 8.507 -7.739 1.00 0.00 C ATOM 483 O ASP A 34 -7.188 7.830 -8.226 1.00 0.00 O ATOM 484 CB ASP A 34 -4.460 8.087 -9.353 1.00 0.00 C ATOM 485 CG ASP A 34 -5.340 7.081 -10.098 1.00 0.00 C ATOM 486 OD1 ASP A 34 -5.458 5.963 -9.627 1.00 0.00 O ATOM 487 OD2 ASP A 34 -5.884 7.450 -11.127 1.00 0.00 O ATOM 0 H ASP A 34 -5.281 6.046 -7.509 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.217 8.828 -7.345 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.585 9.081 -9.782 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -3.409 7.820 -9.467 1.00 0.00 H new ATOM 492 N GLY A 35 -6.530 9.635 -7.108 1.00 0.00 N ATOM 493 CA GLY A 35 -7.889 10.234 -6.894 1.00 0.00 C ATOM 494 C GLY A 35 -8.958 9.199 -6.550 1.00 0.00 C ATOM 495 O GLY A 35 -9.361 9.048 -5.412 1.00 0.00 O ATOM 0 H GLY A 35 -5.778 10.197 -6.709 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -7.832 10.968 -6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -8.188 10.770 -7.795 1.00 0.00 H new ATOM 499 N ASP A 36 -9.437 8.516 -7.538 1.00 0.00 N ATOM 500 CA ASP A 36 -10.515 7.502 -7.322 1.00 0.00 C ATOM 501 C ASP A 36 -9.970 6.279 -6.580 1.00 0.00 C ATOM 502 O ASP A 36 -10.700 5.357 -6.275 1.00 0.00 O ATOM 503 CB ASP A 36 -11.071 7.062 -8.679 1.00 0.00 C ATOM 504 CG ASP A 36 -12.350 6.250 -8.468 1.00 0.00 C ATOM 505 OD1 ASP A 36 -13.199 6.703 -7.719 1.00 0.00 O ATOM 506 OD2 ASP A 36 -12.459 5.189 -9.060 1.00 0.00 O ATOM 0 H ASP A 36 -9.129 8.612 -8.506 1.00 0.00 H new ATOM 0 HA ASP A 36 -11.303 7.953 -6.719 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -11.280 7.934 -9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -10.331 6.463 -9.210 1.00 0.00 H new ATOM 511 N GLY A 37 -8.701 6.253 -6.290 1.00 0.00 N ATOM 512 CA GLY A 37 -8.133 5.085 -5.576 1.00 0.00 C ATOM 513 C GLY A 37 -7.686 4.034 -6.592 1.00 0.00 C ATOM 514 O GLY A 37 -7.407 2.906 -6.240 1.00 0.00 O ATOM 0 H GLY A 37 -8.035 6.991 -6.518 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.287 5.396 -4.963 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.877 4.661 -4.901 1.00 0.00 H new ATOM 518 N ASN A 38 -7.600 4.387 -7.852 1.00 0.00 N ATOM 519 CA ASN A 38 -7.156 3.381 -8.856 1.00 0.00 C ATOM 520 C ASN A 38 -5.700 3.046 -8.574 1.00 0.00 C ATOM 521 O ASN A 38 -4.959 3.866 -8.080 1.00 0.00 O ATOM 522 CB ASN A 38 -7.296 3.945 -10.273 1.00 0.00 C ATOM 523 CG ASN A 38 -8.416 3.207 -11.010 1.00 0.00 C ATOM 524 OD1 ASN A 38 -8.366 2.003 -11.167 1.00 0.00 O ATOM 525 ND2 ASN A 38 -9.432 3.883 -11.474 1.00 0.00 N ATOM 0 H ASN A 38 -7.815 5.314 -8.220 1.00 0.00 H new ATOM 0 HA ASN A 38 -7.774 2.486 -8.785 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -7.516 5.012 -10.231 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -6.356 3.834 -10.814 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.183 3.401 -11.968 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.475 4.894 -11.343 1.00 0.00 H new ATOM 532 N ILE A 39 -5.289 1.841 -8.840 1.00 0.00 N ATOM 533 CA ILE A 39 -3.885 1.460 -8.526 1.00 0.00 C ATOM 534 C ILE A 39 -2.870 2.142 -9.445 1.00 0.00 C ATOM 535 O ILE A 39 -3.010 2.174 -10.652 1.00 0.00 O ATOM 536 CB ILE A 39 -3.720 -0.079 -8.636 1.00 0.00 C ATOM 537 CG1 ILE A 39 -2.624 -0.529 -7.671 1.00 0.00 C ATOM 538 CG2 ILE A 39 -3.326 -0.517 -10.050 1.00 0.00 C ATOM 539 CD1 ILE A 39 -3.218 -0.705 -6.273 1.00 0.00 C ATOM 0 H ILE A 39 -5.859 1.106 -9.259 1.00 0.00 H new ATOM 0 HA ILE A 39 -3.685 1.794 -7.508 1.00 0.00 H new ATOM 0 HB ILE A 39 -4.680 -0.534 -8.392 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -2.186 -1.467 -8.013 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -1.821 0.208 -7.647 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -3.222 -1.602 -10.079 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -4.098 -0.207 -10.755 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -2.378 -0.054 -10.323 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -2.437 -1.026 -5.584 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -3.635 0.243 -5.933 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -4.006 -1.458 -6.305 1.00 0.00 H new ATOM 551 N LEU A 40 -1.800 2.594 -8.864 1.00 0.00 N ATOM 552 CA LEU A 40 -0.697 3.175 -9.664 1.00 0.00 C ATOM 553 C LEU A 40 0.434 2.142 -9.617 1.00 0.00 C ATOM 554 O LEU A 40 1.187 1.984 -10.556 1.00 0.00 O ATOM 555 CB LEU A 40 -0.215 4.508 -9.074 1.00 0.00 C ATOM 556 CG LEU A 40 -1.377 5.259 -8.414 1.00 0.00 C ATOM 557 CD1 LEU A 40 -0.854 6.552 -7.791 1.00 0.00 C ATOM 558 CD2 LEU A 40 -2.430 5.597 -9.468 1.00 0.00 C ATOM 0 H LEU A 40 -1.642 2.585 -7.856 1.00 0.00 H new ATOM 0 HA LEU A 40 -1.025 3.386 -10.682 1.00 0.00 H new ATOM 0 HB2 LEU A 40 0.570 4.324 -8.340 1.00 0.00 H new ATOM 0 HB3 LEU A 40 0.222 5.123 -9.861 1.00 0.00 H new ATOM 0 HG LEU A 40 -1.823 4.633 -7.641 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -1.678 7.089 -7.321 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -0.100 6.315 -7.040 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.410 7.176 -8.567 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -3.256 6.131 -8.999 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.984 6.225 -10.240 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.802 4.677 -9.919 1.00 0.00 H new ATOM 570 N GLN A 41 0.527 1.410 -8.521 1.00 0.00 N ATOM 571 CA GLN A 41 1.573 0.354 -8.392 1.00 0.00 C ATOM 572 C GLN A 41 1.219 -0.583 -7.230 1.00 0.00 C ATOM 573 O GLN A 41 0.342 -0.302 -6.437 1.00 0.00 O ATOM 574 CB GLN A 41 2.952 0.998 -8.153 1.00 0.00 C ATOM 575 CG GLN A 41 4.083 -0.025 -8.390 1.00 0.00 C ATOM 576 CD GLN A 41 3.848 -0.766 -9.706 1.00 0.00 C ATOM 577 OE1 GLN A 41 4.214 -1.916 -9.850 1.00 0.00 O ATOM 578 NE2 GLN A 41 3.248 -0.141 -10.679 1.00 0.00 N ATOM 0 H GLN A 41 -0.085 1.507 -7.711 1.00 0.00 H new ATOM 0 HA GLN A 41 1.614 -0.222 -9.316 1.00 0.00 H new ATOM 0 HB2 GLN A 41 3.081 1.850 -8.820 1.00 0.00 H new ATOM 0 HB3 GLN A 41 3.008 1.380 -7.134 1.00 0.00 H new ATOM 0 HG2 GLN A 41 5.046 0.485 -8.417 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.121 -0.736 -7.564 1.00 0.00 H new ATOM 0 HE21 GLN A 41 2.943 0.824 -10.554 1.00 0.00 H new ATOM 0 HE22 GLN A 41 3.084 -0.617 -11.566 1.00 0.00 H new ATOM 587 N TYR A 42 1.878 -1.714 -7.141 1.00 0.00 N ATOM 588 CA TYR A 42 1.558 -2.686 -6.051 1.00 0.00 C ATOM 589 C TYR A 42 2.829 -3.439 -5.617 1.00 0.00 C ATOM 590 O TYR A 42 3.318 -3.251 -4.521 1.00 0.00 O ATOM 591 CB TYR A 42 0.535 -3.696 -6.590 1.00 0.00 C ATOM 592 CG TYR A 42 -0.486 -4.062 -5.533 1.00 0.00 C ATOM 593 CD1 TYR A 42 -1.428 -3.119 -5.101 1.00 0.00 C ATOM 594 CD2 TYR A 42 -0.512 -5.362 -5.011 1.00 0.00 C ATOM 595 CE1 TYR A 42 -2.394 -3.478 -4.148 1.00 0.00 C ATOM 596 CE2 TYR A 42 -1.472 -5.716 -4.058 1.00 0.00 C ATOM 597 CZ TYR A 42 -2.414 -4.782 -3.627 1.00 0.00 C ATOM 598 OH TYR A 42 -3.363 -5.150 -2.693 1.00 0.00 O ATOM 0 H TYR A 42 2.622 -2.004 -7.775 1.00 0.00 H new ATOM 0 HA TYR A 42 1.156 -2.151 -5.191 1.00 0.00 H new ATOM 0 HB2 TYR A 42 0.028 -3.275 -7.458 1.00 0.00 H new ATOM 0 HB3 TYR A 42 1.051 -4.595 -6.927 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -1.411 -2.116 -5.501 1.00 0.00 H new ATOM 0 HD2 TYR A 42 0.211 -6.092 -5.345 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -3.121 -2.752 -3.816 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -1.484 -6.717 -3.654 1.00 0.00 H new ATOM 0 HH TYR A 42 -3.229 -6.088 -2.443 1.00 0.00 H new ATOM 608 N ASN A 43 3.331 -4.295 -6.489 1.00 0.00 N ATOM 609 CA ASN A 43 4.556 -5.137 -6.225 1.00 0.00 C ATOM 610 C ASN A 43 4.102 -6.571 -5.899 1.00 0.00 C ATOM 611 O ASN A 43 2.996 -6.794 -5.448 1.00 0.00 O ATOM 612 CB ASN A 43 5.468 -4.543 -5.120 1.00 0.00 C ATOM 613 CG ASN A 43 5.072 -5.027 -3.719 1.00 0.00 C ATOM 614 OD1 ASN A 43 3.952 -5.426 -3.495 1.00 0.00 O ATOM 615 ND2 ASN A 43 5.959 -4.994 -2.759 1.00 0.00 N ATOM 0 H ASN A 43 2.923 -4.450 -7.411 1.00 0.00 H new ATOM 0 HA ASN A 43 5.176 -5.148 -7.121 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.504 -4.819 -5.319 1.00 0.00 H new ATOM 0 HB3 ASN A 43 5.416 -3.455 -5.155 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.707 -5.305 -1.821 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.903 -4.658 -2.948 1.00 0.00 H new ATOM 622 N ALA A 44 4.928 -7.547 -6.177 1.00 0.00 N ATOM 623 CA ALA A 44 4.526 -8.971 -5.944 1.00 0.00 C ATOM 624 C ALA A 44 4.601 -9.365 -4.463 1.00 0.00 C ATOM 625 O ALA A 44 4.069 -10.385 -4.074 1.00 0.00 O ATOM 626 CB ALA A 44 5.449 -9.886 -6.751 1.00 0.00 C ATOM 0 H ALA A 44 5.866 -7.421 -6.556 1.00 0.00 H new ATOM 0 HA ALA A 44 3.489 -9.079 -6.262 1.00 0.00 H new ATOM 0 HB1 ALA A 44 5.164 -10.925 -6.588 1.00 0.00 H new ATOM 0 HB2 ALA A 44 5.361 -9.648 -7.811 1.00 0.00 H new ATOM 0 HB3 ALA A 44 6.480 -9.738 -6.430 1.00 0.00 H new ATOM 632 N ALA A 45 5.250 -8.597 -3.634 1.00 0.00 N ATOM 633 CA ALA A 45 5.333 -8.986 -2.192 1.00 0.00 C ATOM 634 C ALA A 45 3.923 -9.128 -1.618 1.00 0.00 C ATOM 635 O ALA A 45 3.518 -10.193 -1.188 1.00 0.00 O ATOM 636 CB ALA A 45 6.102 -7.920 -1.410 1.00 0.00 C ATOM 0 H ALA A 45 5.722 -7.728 -3.884 1.00 0.00 H new ATOM 0 HA ALA A 45 5.856 -9.938 -2.107 1.00 0.00 H new ATOM 0 HB1 ALA A 45 6.159 -8.209 -0.361 1.00 0.00 H new ATOM 0 HB2 ALA A 45 7.109 -7.827 -1.816 1.00 0.00 H new ATOM 0 HB3 ALA A 45 5.586 -6.963 -1.495 1.00 0.00 H new ATOM 642 N GLU A 46 3.169 -8.068 -1.608 1.00 0.00 N ATOM 643 CA GLU A 46 1.786 -8.150 -1.069 1.00 0.00 C ATOM 644 C GLU A 46 0.967 -9.076 -1.954 1.00 0.00 C ATOM 645 O GLU A 46 0.211 -9.891 -1.484 1.00 0.00 O ATOM 646 CB GLU A 46 1.154 -6.766 -1.084 1.00 0.00 C ATOM 647 CG GLU A 46 1.153 -6.221 -2.507 1.00 0.00 C ATOM 648 CD GLU A 46 0.814 -4.733 -2.483 1.00 0.00 C ATOM 649 OE1 GLU A 46 1.609 -3.961 -2.988 1.00 0.00 O ATOM 650 OE2 GLU A 46 -0.368 -4.354 -1.879 1.00 0.00 O ATOM 0 H GLU A 46 3.450 -7.149 -1.949 1.00 0.00 H new ATOM 0 HA GLU A 46 1.811 -8.530 -0.048 1.00 0.00 H new ATOM 0 HB2 GLU A 46 0.134 -6.816 -0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 46 1.707 -6.095 -0.427 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.129 -6.375 -2.967 1.00 0.00 H new ATOM 0 HG3 GLU A 46 0.426 -6.761 -3.114 1.00 0.00 H new ATOM 658 N GLY A 47 1.121 -8.946 -3.235 1.00 0.00 N ATOM 659 CA GLY A 47 0.358 -9.817 -4.173 1.00 0.00 C ATOM 660 C GLY A 47 0.691 -11.287 -3.900 1.00 0.00 C ATOM 661 O GLY A 47 -0.013 -12.176 -4.329 1.00 0.00 O ATOM 0 H GLY A 47 1.744 -8.272 -3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.712 -9.648 -4.052 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.606 -9.563 -5.204 1.00 0.00 H new ATOM 665 N ASP A 48 1.760 -11.560 -3.197 1.00 0.00 N ATOM 666 CA ASP A 48 2.115 -12.978 -2.911 1.00 0.00 C ATOM 667 C ASP A 48 1.377 -13.445 -1.654 1.00 0.00 C ATOM 668 O ASP A 48 1.049 -14.606 -1.510 1.00 0.00 O ATOM 669 CB ASP A 48 3.625 -13.093 -2.688 1.00 0.00 C ATOM 670 CG ASP A 48 4.040 -14.565 -2.754 1.00 0.00 C ATOM 671 OD1 ASP A 48 4.230 -15.058 -3.853 1.00 0.00 O ATOM 672 OD2 ASP A 48 4.160 -15.174 -1.703 1.00 0.00 O ATOM 0 H ASP A 48 2.398 -10.864 -2.811 1.00 0.00 H new ATOM 0 HA ASP A 48 1.825 -13.602 -3.756 1.00 0.00 H new ATOM 0 HB2 ASP A 48 4.160 -12.519 -3.445 1.00 0.00 H new ATOM 0 HB3 ASP A 48 3.893 -12.671 -1.719 1.00 0.00 H new ATOM 677 N ILE A 49 1.118 -12.550 -0.741 1.00 0.00 N ATOM 678 CA ILE A 49 0.411 -12.931 0.508 1.00 0.00 C ATOM 679 C ILE A 49 -1.096 -13.056 0.226 1.00 0.00 C ATOM 680 O ILE A 49 -1.758 -13.958 0.700 1.00 0.00 O ATOM 681 CB ILE A 49 0.711 -11.848 1.556 1.00 0.00 C ATOM 682 CG1 ILE A 49 1.754 -12.379 2.540 1.00 0.00 C ATOM 683 CG2 ILE A 49 -0.539 -11.417 2.331 1.00 0.00 C ATOM 684 CD1 ILE A 49 3.063 -12.653 1.797 1.00 0.00 C ATOM 0 H ILE A 49 1.369 -11.564 -0.810 1.00 0.00 H new ATOM 0 HA ILE A 49 0.749 -13.897 0.884 1.00 0.00 H new ATOM 0 HB ILE A 49 1.084 -10.972 1.025 1.00 0.00 H new ATOM 0 HG12 ILE A 49 1.920 -11.654 3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 49 1.393 -13.293 3.011 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.270 -10.651 3.058 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.277 -11.016 1.637 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -0.960 -12.278 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.807 -13.032 2.498 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.890 -13.394 1.016 1.00 0.00 H new ATOM 0 HD13 ILE A 49 3.426 -11.729 1.347 1.00 0.00 H new ATOM 696 N THR A 50 -1.635 -12.143 -0.532 1.00 0.00 N ATOM 697 CA THR A 50 -3.098 -12.188 -0.839 1.00 0.00 C ATOM 698 C THR A 50 -3.310 -12.576 -2.314 1.00 0.00 C ATOM 699 O THR A 50 -4.428 -12.658 -2.779 1.00 0.00 O ATOM 700 CB THR A 50 -3.795 -10.824 -0.532 1.00 0.00 C ATOM 701 OG1 THR A 50 -4.667 -10.478 -1.601 1.00 0.00 O ATOM 702 CG2 THR A 50 -2.785 -9.676 -0.332 1.00 0.00 C ATOM 0 H THR A 50 -1.128 -11.365 -0.954 1.00 0.00 H new ATOM 0 HA THR A 50 -3.554 -12.941 -0.196 1.00 0.00 H new ATOM 0 HB THR A 50 -4.349 -10.954 0.398 1.00 0.00 H new ATOM 0 HG1 THR A 50 -5.408 -11.118 -1.639 1.00 0.00 H new ATOM 0 HG21 THR A 50 -3.322 -8.751 -0.122 1.00 0.00 H new ATOM 0 HG22 THR A 50 -2.127 -9.912 0.504 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.191 -9.552 -1.237 1.00 0.00 H new ATOM 710 N GLY A 51 -2.257 -12.834 -3.049 1.00 0.00 N ATOM 711 CA GLY A 51 -2.432 -13.233 -4.473 1.00 0.00 C ATOM 712 C GLY A 51 -2.636 -12.002 -5.365 1.00 0.00 C ATOM 713 O GLY A 51 -2.777 -12.120 -6.566 1.00 0.00 O ATOM 0 H GLY A 51 -1.291 -12.785 -2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.557 -13.790 -4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.289 -13.900 -4.565 1.00 0.00 H new ATOM 717 N ARG A 52 -2.680 -10.826 -4.799 1.00 0.00 N ATOM 718 CA ARG A 52 -2.905 -9.612 -5.636 1.00 0.00 C ATOM 719 C ARG A 52 -1.620 -9.175 -6.338 1.00 0.00 C ATOM 720 O ARG A 52 -0.944 -8.260 -5.912 1.00 0.00 O ATOM 721 CB ARG A 52 -3.415 -8.480 -4.755 1.00 0.00 C ATOM 722 CG ARG A 52 -4.939 -8.500 -4.793 1.00 0.00 C ATOM 723 CD ARG A 52 -5.509 -7.159 -4.344 1.00 0.00 C ATOM 724 NE ARG A 52 -6.340 -7.371 -3.129 1.00 0.00 N ATOM 725 CZ ARG A 52 -7.342 -8.218 -3.173 1.00 0.00 C ATOM 726 NH1 ARG A 52 -8.240 -8.132 -4.119 1.00 0.00 N ATOM 727 NH2 ARG A 52 -7.412 -9.197 -2.312 1.00 0.00 N ATOM 0 H ARG A 52 -2.571 -10.654 -3.800 1.00 0.00 H new ATOM 0 HA ARG A 52 -3.643 -9.854 -6.401 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.058 -8.603 -3.732 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.038 -7.521 -5.111 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -5.279 -8.725 -5.804 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.313 -9.294 -4.147 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -4.701 -6.459 -4.131 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -6.110 -6.720 -5.140 1.00 0.00 H new ATOM 0 HE ARG A 52 -6.133 -6.863 -2.269 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -8.165 -7.404 -4.829 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -9.016 -8.793 -4.147 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -6.687 -9.305 -1.603 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -8.192 -9.854 -2.349 1.00 0.00 H new ATOM 741 N ASP A 53 -1.303 -9.805 -7.431 1.00 0.00 N ATOM 742 CA ASP A 53 -0.084 -9.418 -8.194 1.00 0.00 C ATOM 743 C ASP A 53 -0.279 -7.987 -8.717 1.00 0.00 C ATOM 744 O ASP A 53 -1.304 -7.387 -8.461 1.00 0.00 O ATOM 745 CB ASP A 53 0.099 -10.386 -9.367 1.00 0.00 C ATOM 746 CG ASP A 53 1.455 -11.086 -9.248 1.00 0.00 C ATOM 747 OD1 ASP A 53 1.842 -11.399 -8.134 1.00 0.00 O ATOM 748 OD2 ASP A 53 2.082 -11.298 -10.273 1.00 0.00 O ATOM 0 H ASP A 53 -1.837 -10.576 -7.832 1.00 0.00 H new ATOM 0 HA ASP A 53 0.800 -9.461 -7.558 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -0.703 -11.124 -9.371 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.039 -9.845 -10.311 1.00 0.00 H new ATOM 753 N PRO A 54 0.697 -7.463 -9.429 1.00 0.00 N ATOM 754 CA PRO A 54 0.610 -6.097 -9.974 1.00 0.00 C ATOM 755 C PRO A 54 -0.284 -6.072 -11.219 1.00 0.00 C ATOM 756 O PRO A 54 -1.005 -5.124 -11.457 1.00 0.00 O ATOM 757 CB PRO A 54 2.061 -5.751 -10.321 1.00 0.00 C ATOM 758 CG PRO A 54 2.805 -7.097 -10.486 1.00 0.00 C ATOM 759 CD PRO A 54 1.960 -8.162 -9.762 1.00 0.00 C ATOM 0 HA PRO A 54 0.169 -5.384 -9.278 1.00 0.00 H new ATOM 0 HB2 PRO A 54 2.111 -5.165 -11.238 1.00 0.00 H new ATOM 0 HB3 PRO A 54 2.516 -5.150 -9.533 1.00 0.00 H new ATOM 0 HG2 PRO A 54 2.923 -7.347 -11.540 1.00 0.00 H new ATOM 0 HG3 PRO A 54 3.806 -7.041 -10.058 1.00 0.00 H new ATOM 0 HD2 PRO A 54 1.779 -9.027 -10.400 1.00 0.00 H new ATOM 0 HD3 PRO A 54 2.462 -8.526 -8.865 1.00 0.00 H new ATOM 767 N LYS A 55 -0.245 -7.107 -12.012 1.00 0.00 N ATOM 768 CA LYS A 55 -1.093 -7.140 -13.233 1.00 0.00 C ATOM 769 C LYS A 55 -2.555 -7.364 -12.838 1.00 0.00 C ATOM 770 O LYS A 55 -3.463 -7.004 -13.559 1.00 0.00 O ATOM 771 CB LYS A 55 -0.634 -8.281 -14.143 1.00 0.00 C ATOM 772 CG LYS A 55 -1.158 -8.045 -15.560 1.00 0.00 C ATOM 773 CD LYS A 55 -0.069 -7.381 -16.404 1.00 0.00 C ATOM 774 CE LYS A 55 -0.710 -6.646 -17.583 1.00 0.00 C ATOM 775 NZ LYS A 55 -0.822 -5.195 -17.262 1.00 0.00 N ATOM 0 H LYS A 55 0.338 -7.931 -11.866 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.001 -6.191 -13.761 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.454 -8.339 -14.151 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -1.001 -9.234 -13.762 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.456 -8.992 -16.011 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.046 -7.413 -15.530 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.502 -6.682 -15.794 1.00 0.00 H new ATOM 0 HD3 LYS A 55 0.632 -8.132 -16.768 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.110 -6.785 -18.482 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.696 -7.061 -17.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.258 -4.695 -18.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.412 -5.071 -16.414 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.125 -4.805 -17.084 1.00 0.00 H new ATOM 789 N GLN A 56 -2.790 -7.958 -11.700 1.00 0.00 N ATOM 790 CA GLN A 56 -4.194 -8.206 -11.268 1.00 0.00 C ATOM 791 C GLN A 56 -4.742 -6.961 -10.572 1.00 0.00 C ATOM 792 O GLN A 56 -5.858 -6.545 -10.810 1.00 0.00 O ATOM 793 CB GLN A 56 -4.230 -9.393 -10.303 1.00 0.00 C ATOM 794 CG GLN A 56 -5.675 -9.869 -10.133 1.00 0.00 C ATOM 795 CD GLN A 56 -5.715 -11.398 -10.155 1.00 0.00 C ATOM 796 OE1 GLN A 56 -6.660 -11.986 -10.639 1.00 0.00 O ATOM 797 NE2 GLN A 56 -4.719 -12.072 -9.648 1.00 0.00 N ATOM 0 H GLN A 56 -2.072 -8.282 -11.052 1.00 0.00 H new ATOM 0 HA GLN A 56 -4.808 -8.431 -12.140 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -3.611 -10.205 -10.685 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -3.815 -9.103 -9.338 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.083 -9.498 -9.193 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.298 -9.467 -10.932 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -3.924 -11.579 -9.241 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -4.735 -13.092 -9.659 1.00 0.00 H new ATOM 806 N VAL A 57 -3.960 -6.354 -9.721 1.00 0.00 N ATOM 807 CA VAL A 57 -4.435 -5.128 -9.022 1.00 0.00 C ATOM 808 C VAL A 57 -4.494 -3.964 -10.011 1.00 0.00 C ATOM 809 O VAL A 57 -4.966 -2.894 -9.686 1.00 0.00 O ATOM 810 CB VAL A 57 -3.478 -4.779 -7.888 1.00 0.00 C ATOM 811 CG1 VAL A 57 -3.472 -5.916 -6.870 1.00 0.00 C ATOM 812 CG2 VAL A 57 -2.070 -4.585 -8.453 1.00 0.00 C ATOM 0 H VAL A 57 -3.015 -6.654 -9.481 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.429 -5.311 -8.614 1.00 0.00 H new ATOM 0 HB VAL A 57 -3.801 -3.858 -7.403 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -2.789 -5.672 -6.056 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -4.477 -6.053 -6.471 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -3.145 -6.836 -7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -1.384 -4.335 -7.643 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -1.742 -5.505 -8.936 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -2.079 -3.776 -9.183 1.00 0.00 H new ATOM 822 N ILE A 58 -4.021 -4.156 -11.214 1.00 0.00 N ATOM 823 CA ILE A 58 -4.066 -3.054 -12.205 1.00 0.00 C ATOM 824 C ILE A 58 -5.517 -2.844 -12.624 1.00 0.00 C ATOM 825 O ILE A 58 -6.175 -3.735 -13.123 1.00 0.00 O ATOM 826 CB ILE A 58 -3.146 -3.406 -13.395 1.00 0.00 C ATOM 827 CG1 ILE A 58 -1.850 -2.623 -13.224 1.00 0.00 C ATOM 828 CG2 ILE A 58 -3.773 -3.039 -14.752 1.00 0.00 C ATOM 829 CD1 ILE A 58 -0.742 -3.275 -14.052 1.00 0.00 C ATOM 0 H ILE A 58 -3.608 -5.027 -11.548 1.00 0.00 H new ATOM 0 HA ILE A 58 -3.700 -2.118 -11.782 1.00 0.00 H new ATOM 0 HB ILE A 58 -2.979 -4.483 -13.396 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -1.994 -1.590 -13.540 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -1.565 -2.598 -12.172 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.086 -3.307 -15.555 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.709 -3.583 -14.879 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -3.969 -1.967 -14.784 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.184 -2.713 -13.928 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.592 -4.301 -13.715 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -1.027 -3.277 -15.104 1.00 0.00 H new ATOM 841 N GLY A 59 -6.018 -1.671 -12.389 1.00 0.00 N ATOM 842 CA GLY A 59 -7.436 -1.387 -12.732 1.00 0.00 C ATOM 843 C GLY A 59 -8.289 -1.610 -11.481 1.00 0.00 C ATOM 844 O GLY A 59 -9.393 -1.114 -11.370 1.00 0.00 O ATOM 0 H GLY A 59 -5.507 -0.892 -11.973 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -7.543 -0.362 -13.086 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -7.769 -2.039 -13.539 1.00 0.00 H new ATOM 848 N LYS A 60 -7.774 -2.350 -10.530 1.00 0.00 N ATOM 849 CA LYS A 60 -8.534 -2.601 -9.279 1.00 0.00 C ATOM 850 C LYS A 60 -8.420 -1.379 -8.379 1.00 0.00 C ATOM 851 O LYS A 60 -7.386 -0.738 -8.307 1.00 0.00 O ATOM 852 CB LYS A 60 -7.942 -3.812 -8.543 1.00 0.00 C ATOM 853 CG LYS A 60 -7.828 -5.000 -9.502 1.00 0.00 C ATOM 854 CD LYS A 60 -9.200 -5.303 -10.113 1.00 0.00 C ATOM 855 CE LYS A 60 -9.453 -6.810 -10.086 1.00 0.00 C ATOM 856 NZ LYS A 60 -10.880 -7.068 -9.747 1.00 0.00 N ATOM 0 H LYS A 60 -6.855 -2.791 -10.572 1.00 0.00 H new ATOM 0 HA LYS A 60 -9.578 -2.798 -9.524 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -6.960 -3.561 -8.143 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -8.573 -4.077 -7.695 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -7.109 -4.776 -10.290 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -7.455 -5.875 -8.970 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -9.980 -4.783 -9.556 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -9.242 -4.936 -11.138 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -9.214 -7.247 -11.055 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -8.802 -7.286 -9.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -11.090 -8.078 -9.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -11.055 -6.802 -8.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -11.492 -6.504 -10.370 1.00 0.00 H new ATOM 870 N ASN A 61 -9.465 -1.058 -7.681 1.00 0.00 N ATOM 871 CA ASN A 61 -9.408 0.110 -6.772 1.00 0.00 C ATOM 872 C ASN A 61 -8.926 -0.374 -5.410 1.00 0.00 C ATOM 873 O ASN A 61 -9.499 -1.269 -4.826 1.00 0.00 O ATOM 874 CB ASN A 61 -10.803 0.724 -6.641 1.00 0.00 C ATOM 875 CG ASN A 61 -10.898 1.963 -7.534 1.00 0.00 C ATOM 876 OD1 ASN A 61 -11.588 2.909 -7.207 1.00 0.00 O ATOM 877 ND2 ASN A 61 -10.233 1.998 -8.656 1.00 0.00 N ATOM 0 H ASN A 61 -10.356 -1.554 -7.700 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.728 0.866 -7.164 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -11.561 -0.004 -6.928 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.998 0.994 -5.603 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.292 2.819 -9.258 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -9.654 1.204 -8.931 1.00 0.00 H new ATOM 884 N PHE A 62 -7.870 0.192 -4.900 1.00 0.00 N ATOM 885 CA PHE A 62 -7.360 -0.260 -3.572 1.00 0.00 C ATOM 886 C PHE A 62 -8.453 -0.150 -2.503 1.00 0.00 C ATOM 887 O PHE A 62 -8.336 -0.713 -1.432 1.00 0.00 O ATOM 888 CB PHE A 62 -6.181 0.598 -3.145 1.00 0.00 C ATOM 889 CG PHE A 62 -5.622 0.021 -1.875 1.00 0.00 C ATOM 890 CD1 PHE A 62 -4.677 -1.003 -1.940 1.00 0.00 C ATOM 891 CD2 PHE A 62 -6.061 0.497 -0.636 1.00 0.00 C ATOM 892 CE1 PHE A 62 -4.165 -1.557 -0.760 1.00 0.00 C ATOM 893 CE2 PHE A 62 -5.548 -0.053 0.543 1.00 0.00 C ATOM 894 CZ PHE A 62 -4.600 -1.081 0.481 1.00 0.00 C ATOM 0 H PHE A 62 -7.339 0.944 -5.340 1.00 0.00 H new ATOM 0 HA PHE A 62 -7.051 -1.301 -3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -5.419 0.613 -3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -6.497 1.629 -2.988 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -4.341 -1.368 -2.899 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -6.795 1.288 -0.589 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -3.435 -2.351 -0.808 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -5.883 0.315 1.501 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.205 -1.507 1.391 1.00 0.00 H new ATOM 904 N PHE A 63 -9.504 0.570 -2.769 1.00 0.00 N ATOM 905 CA PHE A 63 -10.579 0.710 -1.749 1.00 0.00 C ATOM 906 C PHE A 63 -11.904 0.219 -2.332 1.00 0.00 C ATOM 907 O PHE A 63 -12.951 0.775 -2.069 1.00 0.00 O ATOM 908 CB PHE A 63 -10.719 2.180 -1.355 1.00 0.00 C ATOM 909 CG PHE A 63 -9.450 2.646 -0.685 1.00 0.00 C ATOM 910 CD1 PHE A 63 -9.108 2.157 0.580 1.00 0.00 C ATOM 911 CD2 PHE A 63 -8.618 3.567 -1.329 1.00 0.00 C ATOM 912 CE1 PHE A 63 -7.933 2.591 1.203 1.00 0.00 C ATOM 913 CE2 PHE A 63 -7.443 4.003 -0.706 1.00 0.00 C ATOM 914 CZ PHE A 63 -7.100 3.514 0.561 1.00 0.00 C ATOM 0 H PHE A 63 -9.666 1.066 -3.645 1.00 0.00 H new ATOM 0 HA PHE A 63 -10.323 0.117 -0.871 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -10.920 2.786 -2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -11.566 2.308 -0.681 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -9.751 1.445 1.076 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -8.882 3.942 -2.307 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.669 2.214 2.180 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -6.801 4.716 -1.202 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.193 3.849 1.042 1.00 0.00 H new ATOM 924 N LYS A 64 -11.867 -0.810 -3.128 1.00 0.00 N ATOM 925 CA LYS A 64 -13.128 -1.321 -3.734 1.00 0.00 C ATOM 926 C LYS A 64 -12.994 -2.811 -4.064 1.00 0.00 C ATOM 927 O LYS A 64 -13.826 -3.613 -3.687 1.00 0.00 O ATOM 928 CB LYS A 64 -13.421 -0.542 -5.019 1.00 0.00 C ATOM 929 CG LYS A 64 -14.932 -0.353 -5.169 1.00 0.00 C ATOM 930 CD LYS A 64 -15.380 0.857 -4.347 1.00 0.00 C ATOM 931 CE LYS A 64 -16.857 1.144 -4.621 1.00 0.00 C ATOM 932 NZ LYS A 64 -17.689 0.545 -3.541 1.00 0.00 N ATOM 0 H LYS A 64 -11.022 -1.319 -3.386 1.00 0.00 H new ATOM 0 HA LYS A 64 -13.943 -1.189 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -12.924 0.428 -4.990 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.024 -1.079 -5.881 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -15.188 -0.208 -6.218 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -15.456 -1.248 -4.833 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.227 0.665 -3.285 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -14.776 1.727 -4.603 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.026 2.220 -4.670 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.145 0.731 -5.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.693 0.740 -3.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.535 -0.483 -3.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -17.420 0.959 -2.626 1.00 0.00 H new ATOM 946 N ASP A 65 -11.967 -3.192 -4.777 1.00 0.00 N ATOM 947 CA ASP A 65 -11.813 -4.632 -5.136 1.00 0.00 C ATOM 948 C ASP A 65 -10.443 -5.160 -4.692 1.00 0.00 C ATOM 949 O ASP A 65 -10.053 -6.253 -5.052 1.00 0.00 O ATOM 950 CB ASP A 65 -11.945 -4.787 -6.652 1.00 0.00 C ATOM 951 CG ASP A 65 -13.371 -4.439 -7.081 1.00 0.00 C ATOM 952 OD1 ASP A 65 -13.798 -3.330 -6.807 1.00 0.00 O ATOM 953 OD2 ASP A 65 -14.013 -5.288 -7.680 1.00 0.00 O ATOM 0 H ASP A 65 -11.234 -2.574 -5.124 1.00 0.00 H new ATOM 0 HA ASP A 65 -12.589 -5.205 -4.628 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -11.233 -4.135 -7.158 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -11.705 -5.809 -6.945 1.00 0.00 H new ATOM 958 N VAL A 66 -9.707 -4.407 -3.920 1.00 0.00 N ATOM 959 CA VAL A 66 -8.376 -4.888 -3.472 1.00 0.00 C ATOM 960 C VAL A 66 -8.404 -5.049 -1.962 1.00 0.00 C ATOM 961 O VAL A 66 -7.767 -5.910 -1.396 1.00 0.00 O ATOM 962 CB VAL A 66 -7.342 -3.838 -3.847 1.00 0.00 C ATOM 963 CG1 VAL A 66 -5.934 -4.319 -3.517 1.00 0.00 C ATOM 964 CG2 VAL A 66 -7.425 -3.562 -5.339 1.00 0.00 C ATOM 0 H VAL A 66 -9.972 -3.482 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 66 -8.129 -5.841 -3.940 1.00 0.00 H new ATOM 0 HB VAL A 66 -7.550 -2.932 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -5.213 -3.550 -3.794 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -5.859 -4.518 -2.448 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -5.722 -5.233 -4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -6.685 -2.810 -5.612 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -7.228 -4.481 -5.891 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -8.422 -3.197 -5.587 1.00 0.00 H new ATOM 974 N ALA A 67 -9.129 -4.207 -1.305 1.00 0.00 N ATOM 975 CA ALA A 67 -9.188 -4.280 0.166 1.00 0.00 C ATOM 976 C ALA A 67 -10.534 -3.720 0.644 1.00 0.00 C ATOM 977 O ALA A 67 -10.652 -2.533 0.877 1.00 0.00 O ATOM 978 CB ALA A 67 -8.046 -3.430 0.705 1.00 0.00 C ATOM 0 H ALA A 67 -9.688 -3.465 -1.727 1.00 0.00 H new ATOM 0 HA ALA A 67 -9.096 -5.308 0.517 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -8.055 -3.458 1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -7.097 -3.822 0.340 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -8.168 -2.401 0.367 1.00 0.00 H new ATOM 984 N PRO A 68 -11.517 -4.585 0.779 1.00 0.00 N ATOM 985 CA PRO A 68 -12.860 -4.176 1.228 1.00 0.00 C ATOM 986 C PRO A 68 -12.842 -3.864 2.727 1.00 0.00 C ATOM 987 O PRO A 68 -13.775 -3.304 3.267 1.00 0.00 O ATOM 988 CB PRO A 68 -13.736 -5.395 0.921 1.00 0.00 C ATOM 989 CG PRO A 68 -12.780 -6.607 0.836 1.00 0.00 C ATOM 990 CD PRO A 68 -11.385 -6.038 0.514 1.00 0.00 C ATOM 0 HA PRO A 68 -13.224 -3.274 0.736 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -14.483 -5.543 1.701 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.276 -5.259 -0.016 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -12.767 -7.158 1.776 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -13.104 -7.303 0.062 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -10.616 -6.489 1.141 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -11.105 -6.231 -0.522 1.00 0.00 H new ATOM 998 N CYS A 69 -11.779 -4.214 3.400 1.00 0.00 N ATOM 999 CA CYS A 69 -11.688 -3.934 4.856 1.00 0.00 C ATOM 1000 C CYS A 69 -11.137 -2.518 5.058 1.00 0.00 C ATOM 1001 O CYS A 69 -11.406 -1.868 6.048 1.00 0.00 O ATOM 1002 CB CYS A 69 -10.740 -4.952 5.497 1.00 0.00 C ATOM 1003 SG CYS A 69 -9.064 -4.722 4.844 1.00 0.00 S ATOM 0 H CYS A 69 -10.967 -4.684 2.999 1.00 0.00 H new ATOM 0 HA CYS A 69 -12.673 -4.010 5.317 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -10.739 -4.830 6.580 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -11.085 -5.965 5.291 1.00 0.00 H new ATOM 0 HG CYS A 69 -8.330 -4.123 5.734 1.00 0.00 H new ATOM 1008 N THR A 70 -10.357 -2.048 4.121 1.00 0.00 N ATOM 1009 CA THR A 70 -9.770 -0.684 4.244 1.00 0.00 C ATOM 1010 C THR A 70 -10.853 0.377 4.036 1.00 0.00 C ATOM 1011 O THR A 70 -10.606 1.555 4.189 1.00 0.00 O ATOM 1012 CB THR A 70 -8.664 -0.510 3.201 1.00 0.00 C ATOM 1013 OG1 THR A 70 -9.133 -0.952 1.935 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.447 -1.335 3.614 1.00 0.00 C ATOM 0 H THR A 70 -10.101 -2.553 3.273 1.00 0.00 H new ATOM 0 HA THR A 70 -9.350 -0.564 5.243 1.00 0.00 H new ATOM 0 HB THR A 70 -8.385 0.542 3.135 1.00 0.00 H new ATOM 0 HG1 THR A 70 -10.050 -1.286 2.024 1.00 0.00 H new ATOM 0 HG21 THR A 70 -6.657 -1.214 2.873 1.00 0.00 H new ATOM 0 HG22 THR A 70 -7.089 -0.994 4.586 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.725 -2.387 3.678 1.00 0.00 H new ATOM 1022 N ASP A 71 -12.051 -0.023 3.696 1.00 0.00 N ATOM 1023 CA ASP A 71 -13.137 0.977 3.499 1.00 0.00 C ATOM 1024 C ASP A 71 -13.741 1.318 4.862 1.00 0.00 C ATOM 1025 O ASP A 71 -14.823 0.880 5.201 1.00 0.00 O ATOM 1026 CB ASP A 71 -14.221 0.389 2.594 1.00 0.00 C ATOM 1027 CG ASP A 71 -15.347 1.411 2.408 1.00 0.00 C ATOM 1028 OD1 ASP A 71 -15.160 2.553 2.798 1.00 0.00 O ATOM 1029 OD2 ASP A 71 -16.379 1.034 1.879 1.00 0.00 O ATOM 0 H ASP A 71 -12.321 -0.995 3.547 1.00 0.00 H new ATOM 0 HA ASP A 71 -12.733 1.876 3.033 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.796 0.122 1.627 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -14.617 -0.527 3.032 1.00 0.00 H new ATOM 1034 N SER A 72 -13.043 2.089 5.651 1.00 0.00 N ATOM 1035 CA SER A 72 -13.564 2.456 6.996 1.00 0.00 C ATOM 1036 C SER A 72 -12.800 3.680 7.517 1.00 0.00 C ATOM 1037 O SER A 72 -11.830 4.095 6.906 1.00 0.00 O ATOM 1038 CB SER A 72 -13.356 1.287 7.958 1.00 0.00 C ATOM 1039 OG SER A 72 -13.142 0.095 7.214 1.00 0.00 O ATOM 0 H SER A 72 -12.130 2.481 5.419 1.00 0.00 H new ATOM 0 HA SER A 72 -14.627 2.687 6.925 1.00 0.00 H new ATOM 0 HB2 SER A 72 -12.502 1.483 8.606 1.00 0.00 H new ATOM 0 HB3 SER A 72 -14.227 1.174 8.604 1.00 0.00 H new ATOM 0 HG SER A 72 -12.287 -0.305 7.476 1.00 0.00 H new ATOM 1045 N PRO A 73 -13.253 4.222 8.633 1.00 0.00 N ATOM 1046 CA PRO A 73 -12.623 5.402 9.256 1.00 0.00 C ATOM 1047 C PRO A 73 -11.349 4.996 10.002 1.00 0.00 C ATOM 1048 O PRO A 73 -11.326 4.891 11.212 1.00 0.00 O ATOM 1049 CB PRO A 73 -13.689 5.913 10.227 1.00 0.00 C ATOM 1050 CG PRO A 73 -14.616 4.713 10.531 1.00 0.00 C ATOM 1051 CD PRO A 73 -14.429 3.711 9.377 1.00 0.00 C ATOM 0 HA PRO A 73 -12.321 6.158 8.532 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.232 6.292 11.141 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.252 6.737 9.787 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.358 4.256 11.487 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.655 5.034 10.601 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -14.255 2.702 9.751 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -15.313 3.667 8.741 1.00 0.00 H new ATOM 1059 N GLU A 74 -10.292 4.767 9.278 1.00 0.00 N ATOM 1060 CA GLU A 74 -9.005 4.362 9.908 1.00 0.00 C ATOM 1061 C GLU A 74 -8.031 4.008 8.792 1.00 0.00 C ATOM 1062 O GLU A 74 -6.857 4.309 8.846 1.00 0.00 O ATOM 1063 CB GLU A 74 -9.231 3.144 10.793 1.00 0.00 C ATOM 1064 CG GLU A 74 -8.684 3.415 12.195 1.00 0.00 C ATOM 1065 CD GLU A 74 -8.601 2.101 12.972 1.00 0.00 C ATOM 1066 OE1 GLU A 74 -8.088 1.142 12.420 1.00 0.00 O ATOM 1067 OE2 GLU A 74 -9.052 2.076 14.105 1.00 0.00 O ATOM 0 H GLU A 74 -10.264 4.844 8.261 1.00 0.00 H new ATOM 0 HA GLU A 74 -8.608 5.172 10.520 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -10.295 2.914 10.846 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -8.737 2.273 10.362 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -7.698 3.874 12.130 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -9.330 4.120 12.719 1.00 0.00 H new ATOM 1074 N PHE A 75 -8.534 3.393 7.764 1.00 0.00 N ATOM 1075 CA PHE A 75 -7.681 3.039 6.607 1.00 0.00 C ATOM 1076 C PHE A 75 -8.038 4.006 5.480 1.00 0.00 C ATOM 1077 O PHE A 75 -7.257 4.863 5.101 1.00 0.00 O ATOM 1078 CB PHE A 75 -7.963 1.599 6.175 1.00 0.00 C ATOM 1079 CG PHE A 75 -6.740 1.045 5.487 1.00 0.00 C ATOM 1080 CD1 PHE A 75 -6.284 1.633 4.304 1.00 0.00 C ATOM 1081 CD2 PHE A 75 -6.061 -0.051 6.034 1.00 0.00 C ATOM 1082 CE1 PHE A 75 -5.147 1.129 3.665 1.00 0.00 C ATOM 1083 CE2 PHE A 75 -4.921 -0.557 5.394 1.00 0.00 C ATOM 1084 CZ PHE A 75 -4.464 0.034 4.210 1.00 0.00 C ATOM 0 H PHE A 75 -9.512 3.118 7.677 1.00 0.00 H new ATOM 0 HA PHE A 75 -6.624 3.113 6.861 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.217 0.989 7.042 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -8.820 1.569 5.502 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -6.810 2.477 3.883 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -6.415 -0.506 6.947 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -4.795 1.584 2.751 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -4.396 -1.402 5.814 1.00 0.00 H new ATOM 0 HZ PHE A 75 -3.585 -0.354 3.717 1.00 0.00 H new ATOM 1094 N TYR A 76 -9.242 3.921 4.981 1.00 0.00 N ATOM 1095 CA TYR A 76 -9.650 4.880 3.927 1.00 0.00 C ATOM 1096 C TYR A 76 -9.966 6.210 4.606 1.00 0.00 C ATOM 1097 O TYR A 76 -9.997 7.235 3.974 1.00 0.00 O ATOM 1098 CB TYR A 76 -10.879 4.374 3.171 1.00 0.00 C ATOM 1099 CG TYR A 76 -11.043 5.185 1.903 1.00 0.00 C ATOM 1100 CD1 TYR A 76 -9.945 5.387 1.053 1.00 0.00 C ATOM 1101 CD2 TYR A 76 -12.288 5.740 1.581 1.00 0.00 C ATOM 1102 CE1 TYR A 76 -10.095 6.141 -0.119 1.00 0.00 C ATOM 1103 CE2 TYR A 76 -12.436 6.494 0.410 1.00 0.00 C ATOM 1104 CZ TYR A 76 -11.340 6.695 -0.438 1.00 0.00 C ATOM 1105 OH TYR A 76 -11.488 7.438 -1.591 1.00 0.00 O ATOM 0 H TYR A 76 -9.948 3.238 5.256 1.00 0.00 H new ATOM 0 HA TYR A 76 -8.844 4.997 3.202 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -10.765 3.317 2.930 1.00 0.00 H new ATOM 0 HB3 TYR A 76 -11.769 4.465 3.794 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -8.984 4.961 1.302 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -13.133 5.587 2.235 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -9.251 6.294 -0.775 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -13.396 6.921 0.161 1.00 0.00 H new ATOM 0 HH TYR A 76 -12.415 7.749 -1.663 1.00 0.00 H new ATOM 1115 N GLY A 77 -10.185 6.198 5.900 1.00 0.00 N ATOM 1116 CA GLY A 77 -10.467 7.466 6.625 1.00 0.00 C ATOM 1117 C GLY A 77 -9.256 8.380 6.508 1.00 0.00 C ATOM 1118 O GLY A 77 -9.338 9.479 5.999 1.00 0.00 O ATOM 0 H GLY A 77 -10.179 5.360 6.481 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -11.348 7.952 6.206 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -10.685 7.261 7.673 1.00 0.00 H new ATOM 1122 N LYS A 78 -8.130 7.927 6.980 1.00 0.00 N ATOM 1123 CA LYS A 78 -6.902 8.767 6.902 1.00 0.00 C ATOM 1124 C LYS A 78 -6.565 9.035 5.443 1.00 0.00 C ATOM 1125 O LYS A 78 -5.851 9.956 5.127 1.00 0.00 O ATOM 1126 CB LYS A 78 -5.742 8.057 7.608 1.00 0.00 C ATOM 1127 CG LYS A 78 -6.240 7.392 8.905 1.00 0.00 C ATOM 1128 CD LYS A 78 -7.298 8.271 9.598 1.00 0.00 C ATOM 1129 CE LYS A 78 -7.123 8.182 11.115 1.00 0.00 C ATOM 1130 NZ LYS A 78 -8.194 8.970 11.789 1.00 0.00 N ATOM 0 H LYS A 78 -8.006 7.013 7.416 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.075 9.720 7.402 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.309 7.305 6.948 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -4.952 8.773 7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.665 6.414 8.678 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.400 7.226 9.580 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -7.198 9.306 9.270 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.299 7.943 9.317 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -7.167 7.141 11.436 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -6.143 8.563 11.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -8.074 8.908 12.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.132 9.965 11.492 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -9.124 8.587 11.526 1.00 0.00 H new ATOM 1144 N PHE A 79 -7.081 8.244 4.550 1.00 0.00 N ATOM 1145 CA PHE A 79 -6.816 8.473 3.114 1.00 0.00 C ATOM 1146 C PHE A 79 -7.664 9.649 2.641 1.00 0.00 C ATOM 1147 O PHE A 79 -7.212 10.481 1.897 1.00 0.00 O ATOM 1148 CB PHE A 79 -7.203 7.219 2.344 1.00 0.00 C ATOM 1149 CG PHE A 79 -7.064 7.431 0.850 1.00 0.00 C ATOM 1150 CD1 PHE A 79 -8.015 8.195 0.158 1.00 0.00 C ATOM 1151 CD2 PHE A 79 -6.000 6.842 0.150 1.00 0.00 C ATOM 1152 CE1 PHE A 79 -7.902 8.366 -1.227 1.00 0.00 C ATOM 1153 CE2 PHE A 79 -5.895 7.015 -1.229 1.00 0.00 C ATOM 1154 CZ PHE A 79 -6.842 7.771 -1.917 1.00 0.00 C ATOM 0 H PHE A 79 -7.679 7.444 4.758 1.00 0.00 H new ATOM 0 HA PHE A 79 -5.762 8.695 2.949 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -6.572 6.387 2.657 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -8.231 6.946 2.581 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.834 8.651 0.693 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -5.263 6.255 0.679 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.632 8.956 -1.761 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -5.076 6.561 -1.767 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.757 7.898 -2.986 1.00 0.00 H new ATOM 1164 N LYS A 80 -8.883 9.732 3.083 1.00 0.00 N ATOM 1165 CA LYS A 80 -9.742 10.858 2.673 1.00 0.00 C ATOM 1166 C LYS A 80 -9.357 12.093 3.482 1.00 0.00 C ATOM 1167 O LYS A 80 -9.834 13.183 3.240 1.00 0.00 O ATOM 1168 CB LYS A 80 -11.205 10.512 2.943 1.00 0.00 C ATOM 1169 CG LYS A 80 -11.889 10.109 1.635 1.00 0.00 C ATOM 1170 CD LYS A 80 -12.209 11.363 0.818 1.00 0.00 C ATOM 1171 CE LYS A 80 -13.703 11.388 0.483 1.00 0.00 C ATOM 1172 NZ LYS A 80 -13.951 10.572 -0.739 1.00 0.00 N ATOM 0 H LYS A 80 -9.320 9.061 3.715 1.00 0.00 H new ATOM 0 HA LYS A 80 -9.609 11.053 1.609 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -11.269 9.697 3.664 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.716 11.368 3.383 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.241 9.445 1.063 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.804 9.556 1.846 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -11.937 12.256 1.381 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -11.620 11.373 -0.099 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -14.281 10.995 1.319 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -14.033 12.414 0.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.965 10.588 -0.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.410 10.966 -1.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -13.650 9.591 -0.568 1.00 0.00 H new ATOM 1186 N GLU A 81 -8.485 11.931 4.441 1.00 0.00 N ATOM 1187 CA GLU A 81 -8.059 13.097 5.261 1.00 0.00 C ATOM 1188 C GLU A 81 -6.770 13.647 4.664 1.00 0.00 C ATOM 1189 O GLU A 81 -6.571 14.840 4.563 1.00 0.00 O ATOM 1190 CB GLU A 81 -7.815 12.651 6.703 1.00 0.00 C ATOM 1191 CG GLU A 81 -9.017 11.843 7.198 1.00 0.00 C ATOM 1192 CD GLU A 81 -9.756 12.634 8.278 1.00 0.00 C ATOM 1193 OE1 GLU A 81 -9.109 13.058 9.220 1.00 0.00 O ATOM 1194 OE2 GLU A 81 -10.957 12.803 8.144 1.00 0.00 O ATOM 0 H GLU A 81 -8.051 11.042 4.690 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.832 13.865 5.261 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -6.909 12.047 6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -7.659 13.520 7.342 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -9.689 11.626 6.368 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -8.685 10.885 7.598 1.00 0.00 H new ATOM 1201 N GLY A 82 -5.911 12.768 4.241 1.00 0.00 N ATOM 1202 CA GLY A 82 -4.634 13.203 3.612 1.00 0.00 C ATOM 1203 C GLY A 82 -4.969 13.813 2.255 1.00 0.00 C ATOM 1204 O GLY A 82 -4.483 14.864 1.890 1.00 0.00 O ATOM 0 H GLY A 82 -6.038 11.758 4.304 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -4.125 13.931 4.244 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -3.958 12.356 3.494 1.00 0.00 H new ATOM 1208 N VAL A 83 -5.816 13.155 1.515 1.00 0.00 N ATOM 1209 CA VAL A 83 -6.220 13.680 0.179 1.00 0.00 C ATOM 1210 C VAL A 83 -6.854 15.066 0.342 1.00 0.00 C ATOM 1211 O VAL A 83 -6.677 15.942 -0.482 1.00 0.00 O ATOM 1212 CB VAL A 83 -7.257 12.739 -0.442 1.00 0.00 C ATOM 1213 CG1 VAL A 83 -7.627 13.234 -1.841 1.00 0.00 C ATOM 1214 CG2 VAL A 83 -6.683 11.325 -0.539 1.00 0.00 C ATOM 0 H VAL A 83 -6.249 12.270 1.779 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.341 13.747 -0.461 1.00 0.00 H new ATOM 0 HB VAL A 83 -8.147 12.724 0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -8.365 12.563 -2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -8.045 14.238 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -6.735 13.254 -2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -7.425 10.661 -0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -5.789 11.337 -1.163 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.425 10.968 0.458 1.00 0.00 H new ATOM 1224 N ALA A 84 -7.610 15.263 1.388 1.00 0.00 N ATOM 1225 CA ALA A 84 -8.281 16.581 1.594 1.00 0.00 C ATOM 1226 C ALA A 84 -7.440 17.493 2.498 1.00 0.00 C ATOM 1227 O ALA A 84 -7.786 18.636 2.721 1.00 0.00 O ATOM 1228 CB ALA A 84 -9.645 16.351 2.246 1.00 0.00 C ATOM 0 H ALA A 84 -7.793 14.567 2.111 1.00 0.00 H new ATOM 0 HA ALA A 84 -8.397 17.066 0.625 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -10.141 17.309 2.400 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -10.258 15.725 1.597 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -9.510 15.854 3.207 1.00 0.00 H new ATOM 1234 N SER A 85 -6.346 17.010 3.023 1.00 0.00 N ATOM 1235 CA SER A 85 -5.512 17.875 3.908 1.00 0.00 C ATOM 1236 C SER A 85 -4.296 18.396 3.137 1.00 0.00 C ATOM 1237 O SER A 85 -3.651 19.340 3.548 1.00 0.00 O ATOM 1238 CB SER A 85 -5.040 17.068 5.118 1.00 0.00 C ATOM 1239 OG SER A 85 -6.082 17.016 6.082 1.00 0.00 O ATOM 0 H SER A 85 -5.996 16.063 2.880 1.00 0.00 H new ATOM 0 HA SER A 85 -6.112 18.721 4.245 1.00 0.00 H new ATOM 0 HB2 SER A 85 -4.762 16.060 4.811 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.151 17.526 5.551 1.00 0.00 H new ATOM 0 HG SER A 85 -6.638 16.225 5.921 1.00 0.00 H new ATOM 1245 N GLY A 86 -3.971 17.791 2.026 1.00 0.00 N ATOM 1246 CA GLY A 86 -2.792 18.259 1.243 1.00 0.00 C ATOM 1247 C GLY A 86 -1.506 17.709 1.868 1.00 0.00 C ATOM 1248 O GLY A 86 -0.422 18.190 1.606 1.00 0.00 O ATOM 0 H GLY A 86 -4.470 16.995 1.628 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.876 17.927 0.208 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.763 19.348 1.227 1.00 0.00 H new ATOM 1252 N ASN A 87 -1.617 16.701 2.692 1.00 0.00 N ATOM 1253 CA ASN A 87 -0.409 16.114 3.335 1.00 0.00 C ATOM 1254 C ASN A 87 -0.769 14.734 3.884 1.00 0.00 C ATOM 1255 O ASN A 87 -1.135 14.589 5.034 1.00 0.00 O ATOM 1256 CB ASN A 87 0.055 17.017 4.482 1.00 0.00 C ATOM 1257 CG ASN A 87 1.579 16.961 4.595 1.00 0.00 C ATOM 1258 OD1 ASN A 87 2.113 16.738 5.665 1.00 0.00 O ATOM 1259 ND2 ASN A 87 2.308 17.152 3.530 1.00 0.00 N ATOM 0 H ASN A 87 -2.499 16.257 2.948 1.00 0.00 H new ATOM 0 HA ASN A 87 0.395 16.027 2.604 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -0.269 18.042 4.305 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -0.401 16.696 5.418 1.00 0.00 H new ATOM 0 HD21 ASN A 87 3.325 17.114 3.595 1.00 0.00 H new ATOM 0 HD22 ASN A 87 1.861 17.339 2.633 1.00 0.00 H new ATOM 1266 N LEU A 88 -0.685 13.720 3.069 1.00 0.00 N ATOM 1267 CA LEU A 88 -1.041 12.355 3.543 1.00 0.00 C ATOM 1268 C LEU A 88 0.127 11.738 4.310 1.00 0.00 C ATOM 1269 O LEU A 88 1.200 11.538 3.778 1.00 0.00 O ATOM 1270 CB LEU A 88 -1.389 11.471 2.346 1.00 0.00 C ATOM 1271 CG LEU A 88 -2.370 10.387 2.791 1.00 0.00 C ATOM 1272 CD1 LEU A 88 -3.580 10.372 1.854 1.00 0.00 C ATOM 1273 CD2 LEU A 88 -1.677 9.024 2.748 1.00 0.00 C ATOM 0 H LEU A 88 -0.385 13.778 2.096 1.00 0.00 H new ATOM 0 HA LEU A 88 -1.902 12.427 4.208 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -1.829 12.072 1.550 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -0.486 11.016 1.940 1.00 0.00 H new ATOM 0 HG LEU A 88 -2.702 10.596 3.808 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -4.278 9.598 2.173 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -4.075 11.342 1.884 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -3.249 10.165 0.836 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -2.376 8.250 3.065 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -1.344 8.817 1.731 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -0.817 9.032 3.417 1.00 0.00 H new ATOM 1285 N ASN A 89 -0.082 11.426 5.558 1.00 0.00 N ATOM 1286 CA ASN A 89 0.999 10.809 6.375 1.00 0.00 C ATOM 1287 C ASN A 89 0.368 10.121 7.584 1.00 0.00 C ATOM 1288 O ASN A 89 0.199 10.719 8.629 1.00 0.00 O ATOM 1289 CB ASN A 89 1.966 11.897 6.850 1.00 0.00 C ATOM 1290 CG ASN A 89 1.171 13.063 7.439 1.00 0.00 C ATOM 1291 OD1 ASN A 89 0.929 13.108 8.630 1.00 0.00 O ATOM 1292 ND2 ASN A 89 0.747 14.012 6.650 1.00 0.00 N ATOM 0 H ASN A 89 -0.963 11.573 6.051 1.00 0.00 H new ATOM 0 HA ASN A 89 1.547 10.080 5.778 1.00 0.00 H new ATOM 0 HB2 ASN A 89 2.647 11.492 7.599 1.00 0.00 H new ATOM 0 HB3 ASN A 89 2.578 12.244 6.017 1.00 0.00 H new ATOM 0 HD21 ASN A 89 0.212 14.792 7.032 1.00 0.00 H new ATOM 0 HD22 ASN A 89 0.950 13.974 5.651 1.00 0.00 H new ATOM 1299 N THR A 90 -0.001 8.874 7.453 1.00 0.00 N ATOM 1300 CA THR A 90 -0.639 8.177 8.608 1.00 0.00 C ATOM 1301 C THR A 90 -0.109 6.745 8.732 1.00 0.00 C ATOM 1302 O THR A 90 0.604 6.252 7.881 1.00 0.00 O ATOM 1303 CB THR A 90 -2.156 8.147 8.404 1.00 0.00 C ATOM 1304 OG1 THR A 90 -2.743 7.260 9.345 1.00 0.00 O ATOM 1305 CG2 THR A 90 -2.474 7.672 6.986 1.00 0.00 C ATOM 0 H THR A 90 0.110 8.314 6.608 1.00 0.00 H new ATOM 0 HA THR A 90 -0.398 8.717 9.524 1.00 0.00 H new ATOM 0 HB THR A 90 -2.560 9.149 8.548 1.00 0.00 H new ATOM 0 HG1 THR A 90 -3.345 6.641 8.880 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.554 7.651 6.843 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.025 8.355 6.264 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.069 6.671 6.838 1.00 0.00 H new ATOM 1313 N MET A 91 -0.457 6.082 9.802 1.00 0.00 N ATOM 1314 CA MET A 91 0.011 4.683 10.021 1.00 0.00 C ATOM 1315 C MET A 91 -0.942 4.004 11.004 1.00 0.00 C ATOM 1316 O MET A 91 -1.509 4.645 11.866 1.00 0.00 O ATOM 1317 CB MET A 91 1.433 4.722 10.601 1.00 0.00 C ATOM 1318 CG MET A 91 1.935 3.302 10.876 1.00 0.00 C ATOM 1319 SD MET A 91 2.698 3.234 12.516 1.00 0.00 S ATOM 1320 CE MET A 91 4.384 2.878 11.966 1.00 0.00 C ATOM 0 H MET A 91 -1.052 6.455 10.542 1.00 0.00 H new ATOM 0 HA MET A 91 0.024 4.126 9.084 1.00 0.00 H new ATOM 0 HB2 MET A 91 2.104 5.223 9.903 1.00 0.00 H new ATOM 0 HB3 MET A 91 1.441 5.303 11.523 1.00 0.00 H new ATOM 0 HG2 MET A 91 1.107 2.596 10.820 1.00 0.00 H new ATOM 0 HG3 MET A 91 2.658 3.007 10.115 1.00 0.00 H new ATOM 0 HE1 MET A 91 5.039 2.793 12.833 1.00 0.00 H new ATOM 0 HE2 MET A 91 4.395 1.941 11.410 1.00 0.00 H new ATOM 0 HE3 MET A 91 4.735 3.685 11.324 1.00 0.00 H new ATOM 1330 N PHE A 92 -1.143 2.718 10.880 1.00 0.00 N ATOM 1331 CA PHE A 92 -2.084 2.039 11.819 1.00 0.00 C ATOM 1332 C PHE A 92 -1.974 0.522 11.690 1.00 0.00 C ATOM 1333 O PHE A 92 -1.632 0.003 10.654 1.00 0.00 O ATOM 1334 CB PHE A 92 -3.514 2.463 11.488 1.00 0.00 C ATOM 1335 CG PHE A 92 -3.778 2.261 10.014 1.00 0.00 C ATOM 1336 CD1 PHE A 92 -3.948 0.970 9.497 1.00 0.00 C ATOM 1337 CD2 PHE A 92 -3.864 3.368 9.167 1.00 0.00 C ATOM 1338 CE1 PHE A 92 -4.205 0.792 8.133 1.00 0.00 C ATOM 1339 CE2 PHE A 92 -4.121 3.188 7.804 1.00 0.00 C ATOM 1340 CZ PHE A 92 -4.294 1.900 7.288 1.00 0.00 C ATOM 0 H PHE A 92 -0.705 2.117 10.182 1.00 0.00 H new ATOM 0 HA PHE A 92 -1.828 2.326 12.839 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -4.222 1.880 12.077 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -3.664 3.509 11.754 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -3.881 0.113 10.151 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -3.732 4.363 9.565 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -4.335 -0.203 7.734 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -4.186 4.045 7.149 1.00 0.00 H new ATOM 0 HZ PHE A 92 -4.496 1.762 6.236 1.00 0.00 H new ATOM 1350 N GLU A 93 -2.286 -0.195 12.735 1.00 0.00 N ATOM 1351 CA GLU A 93 -2.222 -1.680 12.666 1.00 0.00 C ATOM 1352 C GLU A 93 -3.543 -2.195 12.095 1.00 0.00 C ATOM 1353 O GLU A 93 -4.592 -2.027 12.686 1.00 0.00 O ATOM 1354 CB GLU A 93 -2.008 -2.253 14.069 1.00 0.00 C ATOM 1355 CG GLU A 93 -0.619 -1.861 14.575 1.00 0.00 C ATOM 1356 CD GLU A 93 0.405 -2.895 14.104 1.00 0.00 C ATOM 1357 OE1 GLU A 93 0.372 -3.241 12.935 1.00 0.00 O ATOM 1358 OE2 GLU A 93 1.203 -3.324 14.920 1.00 0.00 O ATOM 0 H GLU A 93 -2.583 0.185 13.634 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.393 -1.990 12.029 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -2.773 -1.876 14.748 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -2.106 -3.338 14.049 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -0.351 -0.872 14.204 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.619 -1.803 15.663 1.00 0.00 H new ATOM 1365 N TYR A 94 -3.509 -2.801 10.942 1.00 0.00 N ATOM 1366 CA TYR A 94 -4.772 -3.301 10.332 1.00 0.00 C ATOM 1367 C TYR A 94 -4.737 -4.826 10.226 1.00 0.00 C ATOM 1368 O TYR A 94 -3.806 -5.473 10.662 1.00 0.00 O ATOM 1369 CB TYR A 94 -4.928 -2.696 8.936 1.00 0.00 C ATOM 1370 CG TYR A 94 -6.365 -2.292 8.716 1.00 0.00 C ATOM 1371 CD1 TYR A 94 -6.990 -1.408 9.604 1.00 0.00 C ATOM 1372 CD2 TYR A 94 -7.074 -2.802 7.622 1.00 0.00 C ATOM 1373 CE1 TYR A 94 -8.323 -1.035 9.398 1.00 0.00 C ATOM 1374 CE2 TYR A 94 -8.406 -2.429 7.415 1.00 0.00 C ATOM 1375 CZ TYR A 94 -9.031 -1.544 8.303 1.00 0.00 C ATOM 1376 OH TYR A 94 -10.346 -1.177 8.104 1.00 0.00 O ATOM 0 H TYR A 94 -2.664 -2.972 10.397 1.00 0.00 H new ATOM 0 HA TYR A 94 -5.615 -3.010 10.959 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -4.276 -1.829 8.830 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -4.623 -3.419 8.179 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -6.443 -1.014 10.448 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -6.592 -3.484 6.937 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -8.805 -0.354 10.084 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -8.952 -2.823 6.571 1.00 0.00 H new ATOM 0 HH TYR A 94 -10.553 -1.208 7.147 1.00 0.00 H new ATOM 1386 N THR A 95 -5.753 -5.399 9.645 1.00 0.00 N ATOM 1387 CA THR A 95 -5.803 -6.880 9.497 1.00 0.00 C ATOM 1388 C THR A 95 -6.619 -7.227 8.251 1.00 0.00 C ATOM 1389 O THR A 95 -7.817 -7.033 8.211 1.00 0.00 O ATOM 1390 CB THR A 95 -6.470 -7.495 10.730 1.00 0.00 C ATOM 1391 OG1 THR A 95 -5.795 -7.057 11.900 1.00 0.00 O ATOM 1392 CG2 THR A 95 -6.405 -9.020 10.639 1.00 0.00 C ATOM 0 H THR A 95 -6.557 -4.901 9.263 1.00 0.00 H new ATOM 0 HA THR A 95 -4.792 -7.275 9.400 1.00 0.00 H new ATOM 0 HB THR A 95 -7.513 -7.181 10.775 1.00 0.00 H new ATOM 0 HG1 THR A 95 -6.416 -7.065 12.658 1.00 0.00 H new ATOM 0 HG21 THR A 95 -6.880 -9.457 11.517 1.00 0.00 H new ATOM 0 HG22 THR A 95 -6.925 -9.353 9.741 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.363 -9.338 10.594 1.00 0.00 H new ATOM 1400 N PHE A 96 -5.981 -7.734 7.234 1.00 0.00 N ATOM 1401 CA PHE A 96 -6.731 -8.087 5.993 1.00 0.00 C ATOM 1402 C PHE A 96 -7.355 -9.475 6.151 1.00 0.00 C ATOM 1403 O PHE A 96 -6.668 -10.473 6.185 1.00 0.00 O ATOM 1404 CB PHE A 96 -5.772 -8.086 4.796 1.00 0.00 C ATOM 1405 CG PHE A 96 -5.102 -6.730 4.652 1.00 0.00 C ATOM 1406 CD1 PHE A 96 -5.741 -5.561 5.096 1.00 0.00 C ATOM 1407 CD2 PHE A 96 -3.836 -6.647 4.059 1.00 0.00 C ATOM 1408 CE1 PHE A 96 -5.112 -4.318 4.948 1.00 0.00 C ATOM 1409 CE2 PHE A 96 -3.211 -5.403 3.910 1.00 0.00 C ATOM 1410 CZ PHE A 96 -3.849 -4.240 4.355 1.00 0.00 C ATOM 0 H PHE A 96 -4.978 -7.919 7.206 1.00 0.00 H new ATOM 0 HA PHE A 96 -7.519 -7.353 5.824 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -5.016 -8.860 4.928 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -6.319 -8.327 3.884 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -6.718 -5.620 5.552 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -3.341 -7.544 3.716 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -5.603 -3.420 5.292 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -2.235 -5.341 3.451 1.00 0.00 H new ATOM 0 HZ PHE A 96 -3.365 -3.281 4.240 1.00 0.00 H new ATOM 1420 N ASP A 97 -8.656 -9.545 6.252 1.00 0.00 N ATOM 1421 CA ASP A 97 -9.317 -10.870 6.416 1.00 0.00 C ATOM 1422 C ASP A 97 -10.502 -10.979 5.461 1.00 0.00 C ATOM 1423 O ASP A 97 -11.549 -11.481 5.816 1.00 0.00 O ATOM 1424 CB ASP A 97 -9.816 -11.024 7.857 1.00 0.00 C ATOM 1425 CG ASP A 97 -8.692 -10.681 8.837 1.00 0.00 C ATOM 1426 OD1 ASP A 97 -7.541 -10.802 8.455 1.00 0.00 O ATOM 1427 OD2 ASP A 97 -9.003 -10.307 9.956 1.00 0.00 O ATOM 0 H ASP A 97 -9.287 -8.744 6.228 1.00 0.00 H new ATOM 0 HA ASP A 97 -8.596 -11.656 6.192 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -10.671 -10.369 8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -10.158 -12.045 8.025 1.00 0.00 H new ATOM 1432 N TYR A 98 -10.341 -10.540 4.247 1.00 0.00 N ATOM 1433 CA TYR A 98 -11.460 -10.656 3.275 1.00 0.00 C ATOM 1434 C TYR A 98 -11.495 -12.112 2.810 1.00 0.00 C ATOM 1435 O TYR A 98 -10.453 -12.676 2.563 1.00 0.00 O ATOM 1436 CB TYR A 98 -11.209 -9.720 2.070 1.00 0.00 C ATOM 1437 CG TYR A 98 -10.002 -10.196 1.282 1.00 0.00 C ATOM 1438 CD1 TYR A 98 -10.123 -11.288 0.414 1.00 0.00 C ATOM 1439 CD2 TYR A 98 -8.760 -9.567 1.441 1.00 0.00 C ATOM 1440 CE1 TYR A 98 -9.012 -11.757 -0.288 1.00 0.00 C ATOM 1441 CE2 TYR A 98 -7.643 -10.032 0.727 1.00 0.00 C ATOM 1442 CZ TYR A 98 -7.771 -11.129 -0.134 1.00 0.00 C ATOM 1443 OH TYR A 98 -6.673 -11.593 -0.830 1.00 0.00 O ATOM 0 H TYR A 98 -9.490 -10.109 3.887 1.00 0.00 H new ATOM 0 HA TYR A 98 -12.408 -10.370 3.731 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -12.088 -9.700 1.426 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -11.046 -8.700 2.419 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -11.081 -11.770 0.287 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -8.662 -8.726 2.111 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -9.110 -12.605 -0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -6.686 -9.544 0.842 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.966 -11.988 -1.678 1.00 0.00 H new ATOM 1453 N GLN A 99 -12.676 -12.708 2.709 1.00 0.00 N ATOM 1454 CA GLN A 99 -12.844 -14.158 2.263 1.00 0.00 C ATOM 1455 C GLN A 99 -11.491 -14.855 2.060 1.00 0.00 C ATOM 1456 O GLN A 99 -11.121 -15.213 0.959 1.00 0.00 O ATOM 1457 CB GLN A 99 -13.631 -14.226 0.937 1.00 0.00 C ATOM 1458 CG GLN A 99 -14.369 -12.910 0.659 1.00 0.00 C ATOM 1459 CD GLN A 99 -15.438 -13.143 -0.410 1.00 0.00 C ATOM 1460 OE1 GLN A 99 -16.498 -13.663 -0.122 1.00 0.00 O ATOM 1461 NE2 GLN A 99 -15.205 -12.779 -1.642 1.00 0.00 N ATOM 0 H GLN A 99 -13.557 -12.240 2.922 1.00 0.00 H new ATOM 0 HA GLN A 99 -13.390 -14.670 3.055 1.00 0.00 H new ATOM 0 HB2 GLN A 99 -12.947 -14.442 0.116 1.00 0.00 H new ATOM 0 HB3 GLN A 99 -14.348 -15.046 0.979 1.00 0.00 H new ATOM 0 HG2 GLN A 99 -14.829 -12.538 1.574 1.00 0.00 H new ATOM 0 HG3 GLN A 99 -13.664 -12.149 0.324 1.00 0.00 H new ATOM 0 HE21 GLN A 99 -14.316 -12.342 -1.885 1.00 0.00 H new ATOM 0 HE22 GLN A 99 -15.912 -12.931 -2.361 1.00 0.00 H new ATOM 1470 N MET A 100 -10.733 -15.012 3.110 1.00 0.00 N ATOM 1471 CA MET A 100 -9.391 -15.637 2.966 1.00 0.00 C ATOM 1472 C MET A 100 -8.747 -15.802 4.344 1.00 0.00 C ATOM 1473 O MET A 100 -9.339 -15.500 5.361 1.00 0.00 O ATOM 1474 CB MET A 100 -8.506 -14.717 2.112 1.00 0.00 C ATOM 1475 CG MET A 100 -7.602 -15.564 1.212 1.00 0.00 C ATOM 1476 SD MET A 100 -5.864 -15.230 1.602 1.00 0.00 S ATOM 1477 CE MET A 100 -5.789 -13.549 0.935 1.00 0.00 C ATOM 0 H MET A 100 -10.985 -14.735 4.059 1.00 0.00 H new ATOM 0 HA MET A 100 -9.493 -16.614 2.493 1.00 0.00 H new ATOM 0 HB2 MET A 100 -9.128 -14.059 1.504 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.900 -14.079 2.755 1.00 0.00 H new ATOM 0 HG2 MET A 100 -7.820 -16.622 1.355 1.00 0.00 H new ATOM 0 HG3 MET A 100 -7.800 -15.336 0.165 1.00 0.00 H new ATOM 0 HE1 MET A 100 -4.984 -13.000 1.423 1.00 0.00 H new ATOM 0 HE2 MET A 100 -5.601 -13.591 -0.138 1.00 0.00 H new ATOM 0 HE3 MET A 100 -6.737 -13.042 1.118 1.00 0.00 H new ATOM 1487 N THR A 101 -7.528 -16.269 4.382 1.00 0.00 N ATOM 1488 CA THR A 101 -6.831 -16.440 5.689 1.00 0.00 C ATOM 1489 C THR A 101 -6.642 -15.060 6.335 1.00 0.00 C ATOM 1490 O THR A 101 -6.529 -14.072 5.637 1.00 0.00 O ATOM 1491 CB THR A 101 -5.463 -17.088 5.453 1.00 0.00 C ATOM 1492 OG1 THR A 101 -4.665 -16.960 6.621 1.00 0.00 O ATOM 1493 CG2 THR A 101 -4.762 -16.395 4.284 1.00 0.00 C ATOM 0 H THR A 101 -6.984 -16.540 3.563 1.00 0.00 H new ATOM 0 HA THR A 101 -7.423 -17.077 6.347 1.00 0.00 H new ATOM 0 HB THR A 101 -5.602 -18.144 5.221 1.00 0.00 H new ATOM 0 HG1 THR A 101 -3.791 -17.377 6.468 1.00 0.00 H new ATOM 0 HG21 THR A 101 -3.789 -16.857 4.118 1.00 0.00 H new ATOM 0 HG22 THR A 101 -5.370 -16.495 3.385 1.00 0.00 H new ATOM 0 HG23 THR A 101 -4.627 -15.338 4.515 1.00 0.00 H new ATOM 1501 N PRO A 102 -6.609 -15.021 7.650 1.00 0.00 N ATOM 1502 CA PRO A 102 -6.433 -13.757 8.386 1.00 0.00 C ATOM 1503 C PRO A 102 -4.985 -13.266 8.280 1.00 0.00 C ATOM 1504 O PRO A 102 -4.045 -14.004 8.505 1.00 0.00 O ATOM 1505 CB PRO A 102 -6.804 -14.119 9.827 1.00 0.00 C ATOM 1506 CG PRO A 102 -6.641 -15.651 9.949 1.00 0.00 C ATOM 1507 CD PRO A 102 -6.740 -16.214 8.521 1.00 0.00 C ATOM 0 HA PRO A 102 -7.045 -12.944 7.995 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -6.157 -13.602 10.536 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -7.827 -13.818 10.052 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -5.682 -15.905 10.401 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.416 -16.074 10.588 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -5.951 -16.940 8.323 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -7.690 -16.723 8.359 1.00 0.00 H new ATOM 1515 N THR A 103 -4.806 -12.019 7.932 1.00 0.00 N ATOM 1516 CA THR A 103 -3.431 -11.459 7.801 1.00 0.00 C ATOM 1517 C THR A 103 -3.296 -10.238 8.711 1.00 0.00 C ATOM 1518 O THR A 103 -4.205 -9.443 8.847 1.00 0.00 O ATOM 1519 CB THR A 103 -3.186 -11.041 6.334 1.00 0.00 C ATOM 1520 OG1 THR A 103 -2.930 -12.201 5.556 1.00 0.00 O ATOM 1521 CG2 THR A 103 -1.984 -10.083 6.226 1.00 0.00 C ATOM 0 H THR A 103 -5.559 -11.361 7.732 1.00 0.00 H new ATOM 0 HA THR A 103 -2.698 -12.212 8.090 1.00 0.00 H new ATOM 0 HB THR A 103 -4.073 -10.525 5.967 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.775 -11.942 4.624 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.833 -9.804 5.183 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.178 -9.188 6.816 1.00 0.00 H new ATOM 0 HG23 THR A 103 -1.089 -10.578 6.602 1.00 0.00 H new ATOM 1529 N LYS A 104 -2.153 -10.072 9.304 1.00 0.00 N ATOM 1530 CA LYS A 104 -1.928 -8.892 10.174 1.00 0.00 C ATOM 1531 C LYS A 104 -0.794 -8.080 9.559 1.00 0.00 C ATOM 1532 O LYS A 104 0.169 -8.635 9.071 1.00 0.00 O ATOM 1533 CB LYS A 104 -1.526 -9.345 11.580 1.00 0.00 C ATOM 1534 CG LYS A 104 -1.961 -8.292 12.600 1.00 0.00 C ATOM 1535 CD LYS A 104 -2.830 -8.946 13.675 1.00 0.00 C ATOM 1536 CE LYS A 104 -3.920 -7.967 14.118 1.00 0.00 C ATOM 1537 NZ LYS A 104 -4.204 -8.162 15.569 1.00 0.00 N ATOM 0 H LYS A 104 -1.359 -10.707 9.223 1.00 0.00 H new ATOM 0 HA LYS A 104 -2.838 -8.297 10.250 1.00 0.00 H new ATOM 0 HB2 LYS A 104 -1.990 -10.304 11.811 1.00 0.00 H new ATOM 0 HB3 LYS A 104 -0.447 -9.492 11.631 1.00 0.00 H new ATOM 0 HG2 LYS A 104 -1.086 -7.831 13.057 1.00 0.00 H new ATOM 0 HG3 LYS A 104 -2.517 -7.497 12.103 1.00 0.00 H new ATOM 0 HD2 LYS A 104 -3.282 -9.858 13.286 1.00 0.00 H new ATOM 0 HD3 LYS A 104 -2.216 -9.233 14.529 1.00 0.00 H new ATOM 0 HE2 LYS A 104 -3.599 -6.942 13.934 1.00 0.00 H new ATOM 0 HE3 LYS A 104 -4.827 -8.127 13.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 -4.945 -7.497 15.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 -4.527 -9.137 15.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 -3.338 -7.988 16.119 1.00 0.00 H new ATOM 1551 N VAL A 105 -0.889 -6.781 9.561 1.00 0.00 N ATOM 1552 CA VAL A 105 0.202 -5.970 8.951 1.00 0.00 C ATOM 1553 C VAL A 105 0.245 -4.576 9.579 1.00 0.00 C ATOM 1554 O VAL A 105 -0.777 -3.977 9.849 1.00 0.00 O ATOM 1555 CB VAL A 105 -0.069 -5.808 7.442 1.00 0.00 C ATOM 1556 CG1 VAL A 105 -0.312 -7.178 6.802 1.00 0.00 C ATOM 1557 CG2 VAL A 105 -1.315 -4.937 7.213 1.00 0.00 C ATOM 0 H VAL A 105 -1.666 -6.249 9.954 1.00 0.00 H new ATOM 0 HA VAL A 105 1.151 -6.479 9.122 1.00 0.00 H new ATOM 0 HB VAL A 105 0.802 -5.333 6.990 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -0.503 -7.053 5.736 1.00 0.00 H new ATOM 0 HG12 VAL A 105 0.568 -7.806 6.942 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -1.174 -7.651 7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.494 -4.832 6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -2.179 -5.408 7.680 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -1.157 -3.952 7.653 1.00 0.00 H new ATOM 1567 N LYS A 106 1.413 -4.023 9.734 1.00 0.00 N ATOM 1568 CA LYS A 106 1.498 -2.632 10.252 1.00 0.00 C ATOM 1569 C LYS A 106 1.566 -1.757 9.009 1.00 0.00 C ATOM 1570 O LYS A 106 2.461 -1.889 8.210 1.00 0.00 O ATOM 1571 CB LYS A 106 2.735 -2.430 11.148 1.00 0.00 C ATOM 1572 CG LYS A 106 4.015 -2.900 10.446 1.00 0.00 C ATOM 1573 CD LYS A 106 4.392 -4.294 10.949 1.00 0.00 C ATOM 1574 CE LYS A 106 5.915 -4.409 11.037 1.00 0.00 C ATOM 1575 NZ LYS A 106 6.406 -3.657 12.226 1.00 0.00 N ATOM 0 H LYS A 106 2.306 -4.470 9.526 1.00 0.00 H new ATOM 0 HA LYS A 106 0.644 -2.384 10.883 1.00 0.00 H new ATOM 0 HB2 LYS A 106 2.828 -1.376 11.411 1.00 0.00 H new ATOM 0 HB3 LYS A 106 2.606 -2.981 12.080 1.00 0.00 H new ATOM 0 HG2 LYS A 106 3.864 -2.920 9.367 1.00 0.00 H new ATOM 0 HG3 LYS A 106 4.827 -2.200 10.641 1.00 0.00 H new ATOM 0 HD2 LYS A 106 3.946 -4.472 11.927 1.00 0.00 H new ATOM 0 HD3 LYS A 106 3.997 -5.055 10.275 1.00 0.00 H new ATOM 0 HE2 LYS A 106 6.207 -5.457 11.111 1.00 0.00 H new ATOM 0 HE3 LYS A 106 6.373 -4.014 10.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 7.354 -3.997 12.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 6.452 -2.643 12.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 5.755 -3.805 13.024 1.00 0.00 H new ATOM 1589 N VAL A 107 0.588 -0.928 8.790 1.00 0.00 N ATOM 1590 CA VAL A 107 0.564 -0.113 7.537 1.00 0.00 C ATOM 1591 C VAL A 107 1.298 1.211 7.725 1.00 0.00 C ATOM 1592 O VAL A 107 1.506 1.688 8.823 1.00 0.00 O ATOM 1593 CB VAL A 107 -0.923 0.153 7.092 1.00 0.00 C ATOM 1594 CG1 VAL A 107 -1.864 -0.878 7.713 1.00 0.00 C ATOM 1595 CG2 VAL A 107 -1.418 1.570 7.475 1.00 0.00 C ATOM 0 H VAL A 107 -0.198 -0.776 9.422 1.00 0.00 H new ATOM 0 HA VAL A 107 1.077 -0.677 6.758 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.933 0.071 6.005 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -2.886 -0.677 7.393 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -1.573 -1.877 7.390 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.805 -0.816 8.800 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -2.449 1.697 7.144 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -1.367 1.693 8.557 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -0.787 2.318 6.994 1.00 0.00 H new ATOM 1605 N HIS A 108 1.602 1.828 6.623 1.00 0.00 N ATOM 1606 CA HIS A 108 2.246 3.171 6.631 1.00 0.00 C ATOM 1607 C HIS A 108 2.010 3.783 5.251 1.00 0.00 C ATOM 1608 O HIS A 108 2.638 3.396 4.299 1.00 0.00 O ATOM 1609 CB HIS A 108 3.745 3.045 6.898 1.00 0.00 C ATOM 1610 CG HIS A 108 4.367 4.413 6.854 1.00 0.00 C ATOM 1611 ND1 HIS A 108 5.736 4.597 6.767 1.00 0.00 N ATOM 1612 CD2 HIS A 108 3.819 5.674 6.879 1.00 0.00 C ATOM 1613 CE1 HIS A 108 5.967 5.923 6.741 1.00 0.00 C ATOM 1614 NE2 HIS A 108 4.833 6.625 6.807 1.00 0.00 N ATOM 0 H HIS A 108 1.428 1.450 5.692 1.00 0.00 H new ATOM 0 HA HIS A 108 1.823 3.796 7.417 1.00 0.00 H new ATOM 0 HB2 HIS A 108 3.917 2.585 7.871 1.00 0.00 H new ATOM 0 HB3 HIS A 108 4.207 2.397 6.153 1.00 0.00 H new ATOM 0 HD2 HIS A 108 2.763 5.893 6.944 1.00 0.00 H new ATOM 0 HE1 HIS A 108 6.950 6.365 6.675 1.00 0.00 H new ATOM 0 HE2 HIS A 108 4.732 7.640 6.805 1.00 0.00 H new ATOM 1622 N MET A 109 1.080 4.697 5.129 1.00 0.00 N ATOM 1623 CA MET A 109 0.768 5.292 3.783 1.00 0.00 C ATOM 1624 C MET A 109 1.136 6.783 3.764 1.00 0.00 C ATOM 1625 O MET A 109 1.087 7.448 4.780 1.00 0.00 O ATOM 1626 CB MET A 109 -0.746 5.161 3.497 1.00 0.00 C ATOM 1627 CG MET A 109 -1.383 4.048 4.349 1.00 0.00 C ATOM 1628 SD MET A 109 -2.041 4.767 5.872 1.00 0.00 S ATOM 1629 CE MET A 109 -3.613 5.337 5.180 1.00 0.00 C ATOM 0 H MET A 109 0.521 5.060 5.901 1.00 0.00 H new ATOM 0 HA MET A 109 1.345 4.760 3.027 1.00 0.00 H new ATOM 0 HB2 MET A 109 -1.241 6.110 3.705 1.00 0.00 H new ATOM 0 HB3 MET A 109 -0.901 4.946 2.440 1.00 0.00 H new ATOM 0 HG2 MET A 109 -2.180 3.557 3.791 1.00 0.00 H new ATOM 0 HG3 MET A 109 -0.642 3.284 4.584 1.00 0.00 H new ATOM 0 HE1 MET A 109 -4.269 5.662 5.987 1.00 0.00 H new ATOM 0 HE2 MET A 109 -3.431 6.171 4.502 1.00 0.00 H new ATOM 0 HE3 MET A 109 -4.087 4.522 4.633 1.00 0.00 H new ATOM 1639 N LYS A 110 1.489 7.334 2.618 1.00 0.00 N ATOM 1640 CA LYS A 110 1.826 8.791 2.584 1.00 0.00 C ATOM 1641 C LYS A 110 1.419 9.368 1.226 1.00 0.00 C ATOM 1642 O LYS A 110 0.968 8.655 0.359 1.00 0.00 O ATOM 1643 CB LYS A 110 3.331 8.981 2.799 1.00 0.00 C ATOM 1644 CG LYS A 110 3.578 10.220 3.660 1.00 0.00 C ATOM 1645 CD LYS A 110 5.076 10.363 3.940 1.00 0.00 C ATOM 1646 CE LYS A 110 5.468 11.840 3.868 1.00 0.00 C ATOM 1647 NZ LYS A 110 6.874 11.958 3.389 1.00 0.00 N ATOM 0 H LYS A 110 1.556 6.845 1.725 1.00 0.00 H new ATOM 0 HA LYS A 110 1.288 9.309 3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 110 3.753 8.100 3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 110 3.834 9.088 1.838 1.00 0.00 H new ATOM 0 HG2 LYS A 110 3.207 11.109 3.150 1.00 0.00 H new ATOM 0 HG3 LYS A 110 3.029 10.138 4.598 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.313 9.960 4.925 1.00 0.00 H new ATOM 0 HD3 LYS A 110 5.650 9.787 3.213 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.797 12.373 3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 110 5.367 12.302 4.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.141 12.962 3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.508 11.463 4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.956 11.531 2.444 1.00 0.00 H new ATOM 1661 N LYS A 111 1.566 10.650 1.031 1.00 0.00 N ATOM 1662 CA LYS A 111 1.176 11.245 -0.278 1.00 0.00 C ATOM 1663 C LYS A 111 2.337 11.107 -1.267 1.00 0.00 C ATOM 1664 O LYS A 111 3.337 11.788 -1.167 1.00 0.00 O ATOM 1665 CB LYS A 111 0.830 12.726 -0.090 1.00 0.00 C ATOM 1666 CG LYS A 111 0.524 13.362 -1.449 1.00 0.00 C ATOM 1667 CD LYS A 111 -0.797 14.129 -1.375 1.00 0.00 C ATOM 1668 CE LYS A 111 -0.514 15.611 -1.124 1.00 0.00 C ATOM 1669 NZ LYS A 111 -1.671 16.424 -1.593 1.00 0.00 N ATOM 0 H LYS A 111 1.937 11.307 1.717 1.00 0.00 H new ATOM 0 HA LYS A 111 0.304 10.721 -0.669 1.00 0.00 H new ATOM 0 HB2 LYS A 111 -0.030 12.827 0.571 1.00 0.00 H new ATOM 0 HB3 LYS A 111 1.661 13.246 0.387 1.00 0.00 H new ATOM 0 HG2 LYS A 111 1.331 14.036 -1.736 1.00 0.00 H new ATOM 0 HG3 LYS A 111 0.465 12.591 -2.217 1.00 0.00 H new ATOM 0 HD2 LYS A 111 -1.353 14.007 -2.304 1.00 0.00 H new ATOM 0 HD3 LYS A 111 -1.419 13.726 -0.576 1.00 0.00 H new ATOM 0 HE2 LYS A 111 -0.341 15.784 -0.062 1.00 0.00 H new ATOM 0 HE3 LYS A 111 0.393 15.913 -1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 -1.479 17.432 -1.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 -1.816 16.267 -2.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 -2.527 16.142 -1.074 1.00 0.00 H new ATOM 1683 N ALA A 112 2.205 10.231 -2.224 1.00 0.00 N ATOM 1684 CA ALA A 112 3.291 10.046 -3.225 1.00 0.00 C ATOM 1685 C ALA A 112 3.589 11.386 -3.907 1.00 0.00 C ATOM 1686 O ALA A 112 2.732 12.238 -4.016 1.00 0.00 O ATOM 1687 CB ALA A 112 2.838 9.028 -4.270 1.00 0.00 C ATOM 0 H ALA A 112 1.389 9.634 -2.356 1.00 0.00 H new ATOM 0 HA ALA A 112 4.193 9.686 -2.730 1.00 0.00 H new ATOM 0 HB1 ALA A 112 3.628 8.887 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 112 2.623 8.077 -3.782 1.00 0.00 H new ATOM 0 HB3 ALA A 112 1.939 9.392 -4.767 1.00 0.00 H new ATOM 1693 N LEU A 113 4.797 11.580 -4.368 1.00 0.00 N ATOM 1694 CA LEU A 113 5.136 12.869 -5.039 1.00 0.00 C ATOM 1695 C LEU A 113 4.848 12.775 -6.543 1.00 0.00 C ATOM 1696 O LEU A 113 5.140 13.686 -7.292 1.00 0.00 O ATOM 1697 CB LEU A 113 6.620 13.183 -4.827 1.00 0.00 C ATOM 1698 CG LEU A 113 6.789 14.676 -4.540 1.00 0.00 C ATOM 1699 CD1 LEU A 113 6.985 14.890 -3.039 1.00 0.00 C ATOM 1700 CD2 LEU A 113 8.010 15.207 -5.295 1.00 0.00 C ATOM 0 H LEU A 113 5.560 10.905 -4.309 1.00 0.00 H new ATOM 0 HA LEU A 113 4.526 13.662 -4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 113 7.012 12.595 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 113 7.192 12.905 -5.712 1.00 0.00 H new ATOM 0 HG LEU A 113 5.898 15.211 -4.869 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.105 15.954 -2.836 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.115 14.514 -2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.875 14.355 -2.708 1.00 0.00 H new ATOM 0 HD21 LEU A 113 8.130 16.271 -5.090 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.901 14.672 -4.968 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.869 15.057 -6.365 1.00 0.00 H new ATOM 1742 N SER A 117 -0.978 11.706 -5.457 1.00 0.00 N ATOM 1743 CA SER A 117 -1.173 10.234 -5.321 1.00 0.00 C ATOM 1744 C SER A 117 -1.232 9.859 -3.837 1.00 0.00 C ATOM 1745 O SER A 117 -1.046 10.686 -2.967 1.00 0.00 O ATOM 1746 CB SER A 117 -0.014 9.503 -6.004 1.00 0.00 C ATOM 1747 OG SER A 117 0.183 8.234 -5.389 1.00 0.00 O ATOM 0 HA SER A 117 -2.109 9.942 -5.797 1.00 0.00 H new ATOM 0 HB2 SER A 117 -0.228 9.374 -7.065 1.00 0.00 H new ATOM 0 HB3 SER A 117 0.897 10.098 -5.932 1.00 0.00 H new ATOM 0 HG SER A 117 1.000 7.823 -5.741 1.00 0.00 H new ATOM 1753 N TYR A 118 -1.512 8.616 -3.547 1.00 0.00 N ATOM 1754 CA TYR A 118 -1.612 8.173 -2.122 1.00 0.00 C ATOM 1755 C TYR A 118 -1.134 6.723 -2.026 1.00 0.00 C ATOM 1756 O TYR A 118 -1.815 5.817 -2.468 1.00 0.00 O ATOM 1757 CB TYR A 118 -3.084 8.255 -1.680 1.00 0.00 C ATOM 1758 CG TYR A 118 -3.702 9.508 -2.225 1.00 0.00 C ATOM 1759 CD1 TYR A 118 -3.486 10.734 -1.593 1.00 0.00 C ATOM 1760 CD2 TYR A 118 -4.485 9.435 -3.374 1.00 0.00 C ATOM 1761 CE1 TYR A 118 -4.061 11.893 -2.118 1.00 0.00 C ATOM 1762 CE2 TYR A 118 -5.057 10.587 -3.902 1.00 0.00 C ATOM 1763 CZ TYR A 118 -4.848 11.822 -3.275 1.00 0.00 C ATOM 1764 OH TYR A 118 -5.414 12.967 -3.797 1.00 0.00 O ATOM 0 H TYR A 118 -1.677 7.884 -4.238 1.00 0.00 H new ATOM 0 HA TYR A 118 -0.999 8.808 -1.482 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -3.631 7.382 -2.037 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -3.149 8.249 -0.592 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -2.877 10.786 -0.702 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -4.648 8.482 -3.856 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -3.899 12.844 -1.632 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -5.662 10.530 -4.795 1.00 0.00 H new ATOM 0 HH TYR A 118 -5.928 12.741 -4.601 1.00 0.00 H new ATOM 1774 N TRP A 119 0.032 6.482 -1.479 1.00 0.00 N ATOM 1775 CA TRP A 119 0.510 5.077 -1.403 1.00 0.00 C ATOM 1776 C TRP A 119 0.366 4.486 -0.008 1.00 0.00 C ATOM 1777 O TRP A 119 0.599 5.123 0.987 1.00 0.00 O ATOM 1778 CB TRP A 119 1.944 4.950 -1.944 1.00 0.00 C ATOM 1779 CG TRP A 119 2.908 5.914 -1.332 1.00 0.00 C ATOM 1780 CD1 TRP A 119 3.497 6.940 -1.970 1.00 0.00 C ATOM 1781 CD2 TRP A 119 3.468 5.893 -0.012 1.00 0.00 C ATOM 1782 NE1 TRP A 119 4.375 7.566 -1.105 1.00 0.00 N ATOM 1783 CE2 TRP A 119 4.393 6.947 0.122 1.00 0.00 C ATOM 1784 CE3 TRP A 119 3.245 5.063 1.063 1.00 0.00 C ATOM 1785 CZ2 TRP A 119 5.088 7.156 1.308 1.00 0.00 C ATOM 1786 CZ3 TRP A 119 3.938 5.256 2.266 1.00 0.00 C ATOM 1787 CH2 TRP A 119 4.861 6.301 2.387 1.00 0.00 C ATOM 0 H TRP A 119 0.660 7.186 -1.090 1.00 0.00 H new ATOM 0 HA TRP A 119 -0.137 4.482 -2.047 1.00 0.00 H new ATOM 0 HB2 TRP A 119 2.300 3.935 -1.769 1.00 0.00 H new ATOM 0 HB3 TRP A 119 1.930 5.101 -3.023 1.00 0.00 H new ATOM 0 HD1 TRP A 119 3.314 7.229 -2.994 1.00 0.00 H new ATOM 0 HE1 TRP A 119 4.937 8.382 -1.346 1.00 0.00 H new ATOM 0 HE3 TRP A 119 2.531 4.257 0.979 1.00 0.00 H new ATOM 0 HZ2 TRP A 119 5.794 7.969 1.393 1.00 0.00 H new ATOM 0 HZ3 TRP A 119 3.759 4.596 3.102 1.00 0.00 H new ATOM 0 HH2 TRP A 119 5.397 6.445 3.314 1.00 0.00 H new ATOM 1798 N VAL A 120 -0.046 3.241 0.040 1.00 0.00 N ATOM 1799 CA VAL A 120 -0.241 2.534 1.334 1.00 0.00 C ATOM 1800 C VAL A 120 0.735 1.361 1.404 1.00 0.00 C ATOM 1801 O VAL A 120 0.604 0.387 0.688 1.00 0.00 O ATOM 1802 CB VAL A 120 -1.675 1.992 1.418 1.00 0.00 C ATOM 1803 CG1 VAL A 120 -1.915 1.403 2.809 1.00 0.00 C ATOM 1804 CG2 VAL A 120 -2.668 3.128 1.166 1.00 0.00 C ATOM 0 H VAL A 120 -0.258 2.679 -0.784 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.065 3.225 2.158 1.00 0.00 H new ATOM 0 HB VAL A 120 -1.815 1.216 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 120 -2.933 1.018 2.870 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -1.209 0.592 2.988 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -1.775 2.179 3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 120 -3.686 2.742 1.226 1.00 0.00 H new ATOM 0 HG22 VAL A 120 -2.530 3.905 1.918 1.00 0.00 H new ATOM 0 HG23 VAL A 120 -2.497 3.548 0.175 1.00 0.00 H new ATOM 1814 N PHE A 121 1.712 1.445 2.257 1.00 0.00 N ATOM 1815 CA PHE A 121 2.689 0.333 2.373 1.00 0.00 C ATOM 1816 C PHE A 121 2.231 -0.629 3.464 1.00 0.00 C ATOM 1817 O PHE A 121 2.120 -0.261 4.616 1.00 0.00 O ATOM 1818 CB PHE A 121 4.083 0.875 2.738 1.00 0.00 C ATOM 1819 CG PHE A 121 4.564 1.888 1.714 1.00 0.00 C ATOM 1820 CD1 PHE A 121 3.954 1.987 0.454 1.00 0.00 C ATOM 1821 CD2 PHE A 121 5.631 2.738 2.038 1.00 0.00 C ATOM 1822 CE1 PHE A 121 4.404 2.931 -0.471 1.00 0.00 C ATOM 1823 CE2 PHE A 121 6.077 3.684 1.110 1.00 0.00 C ATOM 1824 CZ PHE A 121 5.462 3.783 -0.141 1.00 0.00 C ATOM 0 H PHE A 121 1.877 2.236 2.879 1.00 0.00 H new ATOM 0 HA PHE A 121 2.747 -0.182 1.414 1.00 0.00 H new ATOM 0 HB2 PHE A 121 4.049 1.339 3.724 1.00 0.00 H new ATOM 0 HB3 PHE A 121 4.793 0.050 2.798 1.00 0.00 H new ATOM 0 HD1 PHE A 121 3.134 1.331 0.199 1.00 0.00 H new ATOM 0 HD2 PHE A 121 6.108 2.662 3.004 1.00 0.00 H new ATOM 0 HE1 PHE A 121 3.935 3.003 -1.441 1.00 0.00 H new ATOM 0 HE2 PHE A 121 6.898 4.339 1.360 1.00 0.00 H new ATOM 0 HZ PHE A 121 5.805 4.519 -0.854 1.00 0.00 H new ATOM 1834 N VAL A 122 1.967 -1.859 3.125 1.00 0.00 N ATOM 1835 CA VAL A 122 1.530 -2.819 4.161 1.00 0.00 C ATOM 1836 C VAL A 122 2.708 -3.705 4.559 1.00 0.00 C ATOM 1837 O VAL A 122 3.296 -4.387 3.742 1.00 0.00 O ATOM 1838 CB VAL A 122 0.345 -3.652 3.616 1.00 0.00 C ATOM 1839 CG1 VAL A 122 0.469 -5.147 3.971 1.00 0.00 C ATOM 1840 CG2 VAL A 122 -0.943 -3.111 4.226 1.00 0.00 C ATOM 0 H VAL A 122 2.036 -2.235 2.179 1.00 0.00 H new ATOM 0 HA VAL A 122 1.191 -2.291 5.052 1.00 0.00 H new ATOM 0 HB VAL A 122 0.344 -3.567 2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -0.386 -5.689 3.567 1.00 0.00 H new ATOM 0 HG12 VAL A 122 1.388 -5.548 3.543 1.00 0.00 H new ATOM 0 HG13 VAL A 122 0.493 -5.263 5.055 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -1.791 -3.686 3.854 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -0.895 -3.196 5.312 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -1.065 -2.064 3.949 1.00 0.00 H new ATOM 1850 N LYS A 123 3.030 -3.703 5.818 1.00 0.00 N ATOM 1851 CA LYS A 123 4.148 -4.546 6.309 1.00 0.00 C ATOM 1852 C LYS A 123 3.573 -5.817 6.918 1.00 0.00 C ATOM 1853 O LYS A 123 2.765 -5.762 7.819 1.00 0.00 O ATOM 1854 CB LYS A 123 4.924 -3.775 7.376 1.00 0.00 C ATOM 1855 CG LYS A 123 6.410 -3.748 7.016 1.00 0.00 C ATOM 1856 CD LYS A 123 6.731 -2.411 6.349 1.00 0.00 C ATOM 1857 CE LYS A 123 8.229 -2.307 6.038 1.00 0.00 C ATOM 1858 NZ LYS A 123 8.761 -3.617 5.560 1.00 0.00 N ATOM 0 H LYS A 123 2.562 -3.148 6.534 1.00 0.00 H new ATOM 0 HA LYS A 123 4.816 -4.801 5.486 1.00 0.00 H new ATOM 0 HB2 LYS A 123 4.541 -2.758 7.454 1.00 0.00 H new ATOM 0 HB3 LYS A 123 4.785 -4.244 8.350 1.00 0.00 H new ATOM 0 HG2 LYS A 123 7.018 -3.879 7.911 1.00 0.00 H new ATOM 0 HG3 LYS A 123 6.651 -4.572 6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 123 6.156 -2.310 5.429 1.00 0.00 H new ATOM 0 HD3 LYS A 123 6.432 -1.592 7.003 1.00 0.00 H new ATOM 0 HE2 LYS A 123 8.396 -1.543 5.279 1.00 0.00 H new ATOM 0 HE3 LYS A 123 8.770 -1.993 6.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 9.773 -3.521 5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 8.635 -4.334 6.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 8.246 -3.910 4.705 1.00 0.00 H new ATOM 1872 N ARG A 124 3.969 -6.965 6.442 1.00 0.00 N ATOM 1873 CA ARG A 124 3.410 -8.211 7.032 1.00 0.00 C ATOM 1874 C ARG A 124 4.059 -8.449 8.393 1.00 0.00 C ATOM 1875 O ARG A 124 5.258 -8.609 8.508 1.00 0.00 O ATOM 1876 CB ARG A 124 3.665 -9.403 6.102 1.00 0.00 C ATOM 1877 CG ARG A 124 3.151 -10.682 6.767 1.00 0.00 C ATOM 1878 CD ARG A 124 3.160 -11.829 5.754 1.00 0.00 C ATOM 1879 NE ARG A 124 3.864 -13.005 6.341 1.00 0.00 N ATOM 1880 CZ ARG A 124 3.318 -14.190 6.284 1.00 0.00 C ATOM 1881 NH1 ARG A 124 2.039 -14.330 6.497 1.00 0.00 N ATOM 1882 NH2 ARG A 124 4.054 -15.233 6.015 1.00 0.00 N ATOM 0 H ARG A 124 4.641 -7.093 5.686 1.00 0.00 H new ATOM 0 HA ARG A 124 2.332 -8.104 7.156 1.00 0.00 H new ATOM 0 HB2 ARG A 124 3.162 -9.248 5.147 1.00 0.00 H new ATOM 0 HB3 ARG A 124 4.730 -9.492 5.890 1.00 0.00 H new ATOM 0 HG2 ARG A 124 3.777 -10.935 7.623 1.00 0.00 H new ATOM 0 HG3 ARG A 124 2.141 -10.526 7.145 1.00 0.00 H new ATOM 0 HD2 ARG A 124 2.139 -12.100 5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 124 3.658 -11.514 4.837 1.00 0.00 H new ATOM 0 HE ARG A 124 4.773 -12.884 6.788 1.00 0.00 H new ATOM 0 HH11 ARG A 124 1.465 -13.514 6.708 1.00 0.00 H new ATOM 0 HH12 ARG A 124 1.613 -15.256 6.452 1.00 0.00 H new ATOM 0 HH21 ARG A 124 5.054 -15.122 5.850 1.00 0.00 H new ATOM 0 HH22 ARG A 124 3.629 -16.159 5.970 1.00 0.00 H new ATOM 1896 N VAL A 125 3.267 -8.457 9.428 1.00 0.00 N ATOM 1897 CA VAL A 125 3.820 -8.667 10.797 1.00 0.00 C ATOM 1898 C VAL A 125 4.008 -10.164 11.045 1.00 0.00 C ATOM 1899 O VAL A 125 5.007 -10.524 11.646 1.00 0.00 O ATOM 1900 CB VAL A 125 2.865 -8.093 11.864 1.00 0.00 C ATOM 1901 CG1 VAL A 125 3.688 -7.497 12.993 1.00 0.00 C ATOM 1902 CG2 VAL A 125 1.988 -6.982 11.286 1.00 0.00 C ATOM 1903 OXT VAL A 125 3.149 -10.926 10.632 1.00 0.00 O ATOM 0 H VAL A 125 2.256 -8.327 9.386 1.00 0.00 H new ATOM 0 HA VAL A 125 4.778 -8.152 10.868 1.00 0.00 H new ATOM 0 HB VAL A 125 2.228 -8.903 12.218 1.00 0.00 H new ATOM 0 HG11 VAL A 125 3.022 -7.088 13.753 1.00 0.00 H new ATOM 0 HG12 VAL A 125 4.312 -8.273 13.437 1.00 0.00 H new ATOM 0 HG13 VAL A 125 4.322 -6.702 12.601 1.00 0.00 H new ATOM 0 HG21 VAL A 125 1.327 -6.599 12.063 1.00 0.00 H new ATOM 0 HG22 VAL A 125 2.620 -6.174 10.917 1.00 0.00 H new ATOM 0 HG23 VAL A 125 1.391 -7.380 10.465 1.00 0.00 H new