USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 587 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 Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot -63:sc= 0.289 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 SER OG : rot -29:sc=0.000388 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 ASN : amide:sc= -0.0101 X(o=-0.01,f=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=-0.005) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 8 SER OG : rot 163:sc= 0.118 USER MOD ----------------------------------------------------------------- ATOM 69 N GLU A 6 -6.008 -15.323 -2.745 1.00 0.00 N ATOM 70 CA GLU A 6 -6.749 -14.457 -3.795 1.00 0.00 C ATOM 71 C GLU A 6 -6.243 -12.950 -3.813 1.00 0.00 C ATOM 72 O GLU A 6 -6.324 -12.232 -2.775 1.00 0.00 O ATOM 73 CB GLU A 6 -8.400 -14.619 -3.815 1.00 0.00 C ATOM 74 CG GLU A 6 -9.246 -14.345 -2.478 1.00 0.00 C ATOM 75 CD GLU A 6 -10.777 -14.472 -2.654 1.00 0.00 C ATOM 76 OE1 GLU A 6 -11.436 -13.443 -2.967 1.00 0.00 O ATOM 77 OE2 GLU A 6 -11.319 -15.590 -2.450 1.00 0.00 O ATOM 0 HA GLU A 6 -6.458 -14.884 -4.754 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -8.783 -13.949 -4.585 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -8.623 -15.636 -4.138 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -8.922 -15.045 -1.708 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -9.016 -13.343 -2.116 1.00 0.00 H new ATOM 84 N TYR A 7 -5.722 -12.511 -5.039 1.00 0.00 N ATOM 85 CA TYR A 7 -5.096 -11.119 -5.314 1.00 0.00 C ATOM 86 C TYR A 7 -6.072 -10.141 -6.074 1.00 0.00 C ATOM 87 O TYR A 7 -6.868 -10.593 -6.975 1.00 0.00 O ATOM 88 CB TYR A 7 -3.703 -11.256 -6.117 1.00 0.00 C ATOM 89 CG TYR A 7 -2.512 -12.083 -5.479 1.00 0.00 C ATOM 90 CD1 TYR A 7 -2.421 -13.488 -5.604 1.00 0.00 C ATOM 91 CD2 TYR A 7 -1.490 -11.433 -4.806 1.00 0.00 C ATOM 92 CE1 TYR A 7 -1.359 -14.190 -5.081 1.00 0.00 C ATOM 93 CE2 TYR A 7 -0.410 -12.141 -4.272 1.00 0.00 C ATOM 94 CZ TYR A 7 -0.350 -13.515 -4.419 1.00 0.00 C ATOM 95 OH TYR A 7 0.716 -14.214 -3.898 1.00 0.00 O ATOM 0 H TYR A 7 -5.722 -13.107 -5.867 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.902 -10.678 -4.336 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.927 -11.701 -7.086 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.335 -10.248 -6.307 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.203 -14.023 -6.122 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.529 -10.360 -4.692 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.314 -15.264 -5.187 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.375 -11.617 -3.747 1.00 0.00 H new ATOM 0 HH TYR A 7 1.336 -13.590 -3.466 1.00 0.00 H new ATOM 105 N GLU A 8 -5.994 -8.765 -5.674 1.00 0.00 N ATOM 106 CA GLU A 8 -6.878 -7.641 -6.239 1.00 0.00 C ATOM 107 C GLU A 8 -5.988 -6.426 -6.773 1.00 0.00 C ATOM 108 O GLU A 8 -5.024 -5.968 -6.080 1.00 0.00 O ATOM 109 CB GLU A 8 -8.026 -7.185 -5.133 1.00 0.00 C ATOM 110 CG GLU A 8 -9.345 -6.382 -5.616 1.00 0.00 C ATOM 111 CD GLU A 8 -10.408 -7.200 -6.420 1.00 0.00 C ATOM 112 OE1 GLU A 8 -10.313 -7.244 -7.673 1.00 0.00 O ATOM 113 OE2 GLU A 8 -11.334 -7.768 -5.787 1.00 0.00 O ATOM 0 H GLU A 8 -5.331 -8.436 -4.972 1.00 0.00 H new ATOM 0 HA GLU A 8 -7.422 -8.018 -7.105 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -8.365 -8.089 -4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -7.528 -6.568 -4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -9.832 -5.965 -4.734 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -9.025 -5.541 -6.232 1.00 0.00 H new ATOM 120 N GLU A 9 -6.349 -5.953 -8.062 1.00 0.00 N ATOM 121 CA GLU A 9 -5.745 -4.767 -8.792 1.00 0.00 C ATOM 122 C GLU A 9 -6.706 -3.499 -8.810 1.00 0.00 C ATOM 123 O GLU A 9 -7.842 -3.566 -9.387 1.00 0.00 O ATOM 124 CB GLU A 9 -5.067 -5.160 -10.249 1.00 0.00 C ATOM 125 CG GLU A 9 -5.893 -5.942 -11.417 1.00 0.00 C ATOM 126 CD GLU A 9 -6.926 -5.117 -12.240 1.00 0.00 C ATOM 127 OE1 GLU A 9 -6.521 -4.465 -13.236 1.00 0.00 O ATOM 128 OE2 GLU A 9 -8.131 -5.153 -11.895 1.00 0.00 O ATOM 0 H GLU A 9 -7.080 -6.408 -8.609 1.00 0.00 H new ATOM 0 HA GLU A 9 -4.889 -4.446 -8.198 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -4.711 -4.228 -10.689 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -4.187 -5.765 -10.030 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -5.170 -6.367 -12.113 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -6.420 -6.777 -10.955 1.00 0.00 H new ATOM 135 N ILE A 10 -6.243 -2.366 -8.088 1.00 0.00 N ATOM 136 CA ILE A 10 -7.015 -1.027 -7.951 1.00 0.00 C ATOM 137 C ILE A 10 -6.201 0.133 -8.740 1.00 0.00 C ATOM 138 O ILE A 10 -4.943 0.183 -8.677 1.00 0.00 O ATOM 139 CB ILE A 10 -7.366 -0.664 -6.308 1.00 0.00 C ATOM 140 CG1 ILE A 10 -8.230 -1.840 -5.596 1.00 0.00 C ATOM 141 CG2 ILE A 10 -8.076 0.779 -6.041 1.00 0.00 C ATOM 142 CD1 ILE A 10 -7.838 -2.167 -4.118 1.00 0.00 C ATOM 0 H ILE A 10 -5.348 -2.360 -7.599 1.00 0.00 H new ATOM 0 HA ILE A 10 -7.995 -1.105 -8.421 1.00 0.00 H new ATOM 0 HB ILE A 10 -6.379 -0.599 -5.851 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -9.283 -1.558 -5.620 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -8.130 -2.749 -6.189 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.253 0.906 -4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -7.425 1.577 -6.398 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.026 0.821 -6.573 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.477 -2.965 -3.740 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.797 -2.487 -4.080 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.967 -1.277 -3.502 1.00 0.00 H new ATOM 154 N THR A 11 -7.009 1.030 -9.483 1.00 0.00 N ATOM 155 CA THR A 11 -6.506 2.262 -10.238 1.00 0.00 C ATOM 156 C THR A 11 -7.196 3.572 -9.617 1.00 0.00 C ATOM 157 O THR A 11 -8.467 3.708 -9.600 1.00 0.00 O ATOM 158 CB THR A 11 -6.694 2.163 -11.886 1.00 0.00 C ATOM 159 OG1 THR A 11 -6.493 0.804 -12.341 1.00 0.00 O ATOM 160 CG2 THR A 11 -5.630 3.022 -12.656 1.00 0.00 C ATOM 0 H THR A 11 -8.018 0.906 -9.565 1.00 0.00 H new ATOM 0 HA THR A 11 -5.426 2.323 -10.100 1.00 0.00 H new ATOM 0 HB THR A 11 -7.703 2.523 -12.089 1.00 0.00 H new ATOM 0 HG1 THR A 11 -6.609 0.764 -13.313 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.793 2.926 -13.730 1.00 0.00 H new ATOM 0 HG22 THR A 11 -5.728 4.068 -12.366 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.629 2.669 -12.408 1.00 0.00 H new ATOM 168 N LEU A 12 -6.273 4.496 -9.100 1.00 0.00 N ATOM 169 CA LEU A 12 -6.575 5.846 -8.461 1.00 0.00 C ATOM 170 C LEU A 12 -5.979 7.052 -9.290 1.00 0.00 C ATOM 171 O LEU A 12 -4.906 6.912 -9.955 1.00 0.00 O ATOM 172 CB LEU A 12 -6.012 5.938 -6.914 1.00 0.00 C ATOM 173 CG LEU A 12 -6.693 5.180 -5.684 1.00 0.00 C ATOM 174 CD1 LEU A 12 -5.771 5.287 -4.494 1.00 0.00 C ATOM 175 CD2 LEU A 12 -8.077 5.771 -5.276 1.00 0.00 C ATOM 0 H LEU A 12 -5.271 4.306 -9.122 1.00 0.00 H new ATOM 0 HA LEU A 12 -7.662 5.925 -8.454 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -4.975 5.605 -6.944 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -5.999 6.996 -6.654 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.860 4.149 -5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -6.217 4.775 -3.641 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.813 4.826 -4.733 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -5.616 6.337 -4.247 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -8.480 5.207 -4.435 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -7.956 6.815 -4.988 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -8.764 5.705 -6.120 1.00 0.00 H new ATOM 284 N GLY A 20 -6.310 9.726 0.672 1.00 0.00 N ATOM 285 CA GLY A 20 -7.190 9.473 1.862 1.00 0.00 C ATOM 286 C GLY A 20 -6.854 8.183 2.622 1.00 0.00 C ATOM 287 O GLY A 20 -7.787 7.478 3.077 1.00 0.00 O ATOM 0 HA2 GLY A 20 -7.110 10.317 2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -8.228 9.428 1.531 1.00 0.00 H new ATOM 291 N PHE A 21 -5.453 7.875 2.749 1.00 0.00 N ATOM 292 CA PHE A 21 -4.788 6.725 3.475 1.00 0.00 C ATOM 293 C PHE A 21 -3.264 7.142 3.842 1.00 0.00 C ATOM 294 O PHE A 21 -2.750 8.190 3.307 1.00 0.00 O ATOM 295 CB PHE A 21 -4.882 5.314 2.585 1.00 0.00 C ATOM 296 CG PHE A 21 -4.053 5.107 1.216 1.00 0.00 C ATOM 297 CD1 PHE A 21 -4.363 5.795 -0.008 1.00 0.00 C ATOM 298 CD2 PHE A 21 -3.036 4.151 1.191 1.00 0.00 C ATOM 299 CE1 PHE A 21 -3.660 5.511 -1.184 1.00 0.00 C ATOM 300 CE2 PHE A 21 -2.332 3.882 0.013 1.00 0.00 C ATOM 301 CZ PHE A 21 -2.649 4.558 -1.166 1.00 0.00 C ATOM 0 H PHE A 21 -4.756 8.478 2.311 1.00 0.00 H new ATOM 0 HA PHE A 21 -5.315 6.521 4.407 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -4.593 4.502 3.253 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -5.934 5.167 2.340 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -5.146 6.538 -0.020 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -2.790 3.612 2.094 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -3.902 6.029 -2.100 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -1.540 3.148 0.016 1.00 0.00 H new ATOM 0 HZ PHE A 21 -2.104 4.339 -2.072 1.00 0.00 H new ATOM 311 N SER A 22 -2.548 6.324 4.788 1.00 0.00 N ATOM 312 CA SER A 22 -1.052 6.422 5.081 1.00 0.00 C ATOM 313 C SER A 22 -0.384 4.983 5.076 1.00 0.00 C ATOM 314 O SER A 22 -1.044 3.974 5.515 1.00 0.00 O ATOM 315 CB SER A 22 -0.745 7.231 6.391 1.00 0.00 C ATOM 316 OG SER A 22 -1.100 8.605 6.286 1.00 0.00 O ATOM 0 H SER A 22 -3.011 5.603 5.341 1.00 0.00 H new ATOM 0 HA SER A 22 -0.595 6.996 4.275 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.286 6.783 7.224 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.317 7.151 6.621 1.00 0.00 H new ATOM 0 HG SER A 22 -0.563 9.029 5.585 1.00 0.00 H new ATOM 322 N ILE A 23 0.966 4.886 4.570 1.00 0.00 N ATOM 323 CA ILE A 23 1.768 3.538 4.386 1.00 0.00 C ATOM 324 C ILE A 23 3.132 3.352 5.123 1.00 0.00 C ATOM 325 O ILE A 23 4.069 4.159 4.970 1.00 0.00 O ATOM 326 CB ILE A 23 1.765 2.854 2.888 1.00 0.00 C ATOM 327 CG1 ILE A 23 1.961 3.799 1.577 1.00 0.00 C ATOM 328 CG2 ILE A 23 0.502 2.066 2.773 1.00 0.00 C ATOM 329 CD1 ILE A 23 3.343 4.480 1.273 1.00 0.00 C ATOM 0 H ILE A 23 1.503 5.707 4.291 1.00 0.00 H new ATOM 0 HA ILE A 23 1.085 2.939 4.989 1.00 0.00 H new ATOM 0 HB ILE A 23 2.680 2.262 2.853 1.00 0.00 H new ATOM 0 HG12 ILE A 23 1.704 3.196 0.707 1.00 0.00 H new ATOM 0 HG13 ILE A 23 1.220 4.595 1.643 1.00 0.00 H new ATOM 0 HG21 ILE A 23 0.456 1.593 1.792 1.00 0.00 H new ATOM 0 HG22 ILE A 23 0.480 1.299 3.547 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.354 2.730 2.896 1.00 0.00 H new ATOM 0 HD11 ILE A 23 3.266 5.066 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 23 3.616 5.134 2.101 1.00 0.00 H new ATOM 0 HD13 ILE A 23 4.107 3.713 1.150 1.00 0.00 H new ATOM 341 N ALA A 24 3.209 2.155 5.899 1.00 0.00 N ATOM 342 CA ALA A 24 4.393 1.737 6.754 1.00 0.00 C ATOM 343 C ALA A 24 5.223 0.577 6.069 1.00 0.00 C ATOM 344 O ALA A 24 4.694 -0.551 5.821 1.00 0.00 O ATOM 345 CB ALA A 24 3.917 1.395 8.209 1.00 0.00 C ATOM 0 H ALA A 24 2.445 1.480 5.929 1.00 0.00 H new ATOM 0 HA ALA A 24 5.085 2.575 6.839 1.00 0.00 H new ATOM 0 HB1 ALA A 24 4.775 1.097 8.812 1.00 0.00 H new ATOM 0 HB2 ALA A 24 3.448 2.273 8.654 1.00 0.00 H new ATOM 0 HB3 ALA A 24 3.197 0.578 8.174 1.00 0.00 H new ATOM 351 N GLY A 25 6.537 0.925 5.773 1.00 0.00 N ATOM 352 CA GLY A 25 7.529 0.061 5.027 1.00 0.00 C ATOM 353 C GLY A 25 8.947 0.648 4.981 1.00 0.00 C ATOM 354 O GLY A 25 9.120 1.899 5.132 1.00 0.00 O ATOM 0 H GLY A 25 6.933 1.823 6.052 1.00 0.00 H new ATOM 0 HA2 GLY A 25 7.567 -0.922 5.497 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.173 -0.087 4.007 1.00 0.00 H new ATOM 358 N GLY A 26 9.962 -0.287 4.754 1.00 0.00 N ATOM 359 CA GLY A 26 11.436 0.064 4.843 1.00 0.00 C ATOM 360 C GLY A 26 12.454 -1.079 4.685 1.00 0.00 C ATOM 361 O GLY A 26 12.135 -2.270 4.954 1.00 0.00 O ATOM 0 H GLY A 26 9.783 -1.262 4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.650 0.811 4.079 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.610 0.537 5.809 1.00 0.00 H new ATOM 365 N THR A 27 13.711 -0.665 4.204 1.00 0.00 N ATOM 366 CA THR A 27 15.024 -1.507 4.214 1.00 0.00 C ATOM 367 C THR A 27 16.064 -1.024 5.316 1.00 0.00 C ATOM 368 O THR A 27 16.637 -1.883 6.047 1.00 0.00 O ATOM 369 CB THR A 27 15.756 -1.727 2.788 1.00 0.00 C ATOM 370 OG1 THR A 27 15.845 -0.535 1.994 1.00 0.00 O ATOM 371 CG2 THR A 27 15.174 -2.899 1.996 1.00 0.00 C ATOM 0 H THR A 27 13.849 0.260 3.797 1.00 0.00 H new ATOM 0 HA THR A 27 14.654 -2.496 4.486 1.00 0.00 H new ATOM 0 HB THR A 27 16.782 -1.994 3.041 1.00 0.00 H new ATOM 0 HG1 THR A 27 16.298 -0.738 1.149 1.00 0.00 H new ATOM 0 HG21 THR A 27 15.705 -2.998 1.049 1.00 0.00 H new ATOM 0 HG22 THR A 27 15.285 -3.818 2.572 1.00 0.00 H new ATOM 0 HG23 THR A 27 14.117 -2.718 1.802 1.00 0.00 H new ATOM 379 N ASP A 28 16.262 0.390 5.413 1.00 0.00 N ATOM 380 CA ASP A 28 17.141 1.121 6.439 1.00 0.00 C ATOM 381 C ASP A 28 16.293 1.795 7.634 1.00 0.00 C ATOM 382 O ASP A 28 16.794 1.837 8.801 1.00 0.00 O ATOM 383 CB ASP A 28 18.142 2.183 5.758 1.00 0.00 C ATOM 384 CG ASP A 28 19.305 1.576 4.923 1.00 0.00 C ATOM 385 OD1 ASP A 28 19.121 1.371 3.698 1.00 0.00 O ATOM 386 OD2 ASP A 28 20.392 1.329 5.500 1.00 0.00 O ATOM 0 H ASP A 28 15.805 1.036 4.770 1.00 0.00 H new ATOM 0 HA ASP A 28 17.757 0.344 6.891 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.560 2.840 5.112 1.00 0.00 H new ATOM 0 HB3 ASP A 28 18.570 2.806 6.543 1.00 0.00 H new ATOM 391 N ASN A 29 14.969 2.281 7.301 1.00 0.00 N ATOM 392 CA ASN A 29 13.965 2.933 8.251 1.00 0.00 C ATOM 393 C ASN A 29 12.804 1.859 8.732 1.00 0.00 C ATOM 394 O ASN A 29 11.918 1.504 7.885 1.00 0.00 O ATOM 395 CB ASN A 29 13.344 4.315 7.675 1.00 0.00 C ATOM 396 CG ASN A 29 14.330 5.519 7.570 1.00 0.00 C ATOM 397 OD1 ASN A 29 14.492 6.292 8.522 1.00 0.00 O ATOM 398 ND2 ASN A 29 14.955 5.689 6.397 1.00 0.00 N ATOM 0 H ASN A 29 14.604 2.213 6.351 1.00 0.00 H new ATOM 0 HA ASN A 29 14.522 3.224 9.142 1.00 0.00 H new ATOM 0 HB2 ASN A 29 12.934 4.120 6.684 1.00 0.00 H new ATOM 0 HB3 ASN A 29 12.510 4.609 8.313 1.00 0.00 H new ATOM 0 HD21 ASN A 29 15.589 6.477 6.267 1.00 0.00 H new ATOM 0 HD22 ASN A 29 14.796 5.030 5.634 1.00 0.00 H new ATOM 501 N SER A 37 9.107 -6.444 4.045 1.00 0.00 N ATOM 502 CA SER A 37 7.793 -6.114 3.285 1.00 0.00 C ATOM 503 C SER A 37 6.996 -4.814 3.822 1.00 0.00 C ATOM 504 O SER A 37 7.127 -4.443 5.028 1.00 0.00 O ATOM 505 CB SER A 37 6.860 -7.423 3.195 1.00 0.00 C ATOM 506 OG SER A 37 6.518 -7.980 4.480 1.00 0.00 O ATOM 0 HA SER A 37 8.091 -5.823 2.278 1.00 0.00 H new ATOM 0 HB2 SER A 37 5.943 -7.169 2.663 1.00 0.00 H new ATOM 0 HB3 SER A 37 7.371 -8.183 2.604 1.00 0.00 H new ATOM 0 HG SER A 37 7.230 -7.780 5.123 1.00 0.00 H new ATOM 512 N ILE A 38 6.151 -4.145 2.855 1.00 0.00 N ATOM 513 CA ILE A 38 5.297 -2.869 3.100 1.00 0.00 C ATOM 514 C ILE A 38 3.742 -3.302 3.438 1.00 0.00 C ATOM 515 O ILE A 38 3.154 -4.162 2.726 1.00 0.00 O ATOM 516 CB ILE A 38 5.394 -1.707 1.805 1.00 0.00 C ATOM 517 CG1 ILE A 38 6.824 -1.552 0.908 1.00 0.00 C ATOM 518 CG2 ILE A 38 4.859 -0.259 2.164 1.00 0.00 C ATOM 519 CD1 ILE A 38 8.272 -1.655 1.573 1.00 0.00 C ATOM 0 H ILE A 38 6.060 -4.490 1.900 1.00 0.00 H new ATOM 0 HA ILE A 38 5.716 -2.352 3.963 1.00 0.00 H new ATOM 0 HB ILE A 38 4.707 -2.223 1.134 1.00 0.00 H new ATOM 0 HG12 ILE A 38 6.785 -2.311 0.127 1.00 0.00 H new ATOM 0 HG13 ILE A 38 6.777 -0.582 0.413 1.00 0.00 H new ATOM 0 HG21 ILE A 38 4.961 0.392 1.296 1.00 0.00 H new ATOM 0 HG22 ILE A 38 3.809 -0.320 2.451 1.00 0.00 H new ATOM 0 HG23 ILE A 38 5.439 0.148 2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 38 9.035 -1.525 0.806 1.00 0.00 H new ATOM 0 HD12 ILE A 38 8.381 -0.878 2.329 1.00 0.00 H new ATOM 0 HD13 ILE A 38 8.390 -2.633 2.039 1.00 0.00 H new ATOM 531 N PHE A 39 3.152 -2.647 4.559 1.00 0.00 N ATOM 532 CA PHE A 39 1.738 -2.884 5.154 1.00 0.00 C ATOM 533 C PHE A 39 0.920 -1.511 5.343 1.00 0.00 C ATOM 534 O PHE A 39 1.544 -0.382 5.456 1.00 0.00 O ATOM 535 CB PHE A 39 1.781 -3.625 6.636 1.00 0.00 C ATOM 536 CG PHE A 39 2.434 -5.049 6.879 1.00 0.00 C ATOM 537 CD1 PHE A 39 2.029 -6.224 6.200 1.00 0.00 C ATOM 538 CD2 PHE A 39 3.411 -5.181 7.867 1.00 0.00 C ATOM 539 CE1 PHE A 39 2.607 -7.455 6.501 1.00 0.00 C ATOM 540 CE2 PHE A 39 3.978 -6.408 8.178 1.00 0.00 C ATOM 541 CZ PHE A 39 3.580 -7.545 7.492 1.00 0.00 C ATOM 0 H PHE A 39 3.662 -1.930 5.075 1.00 0.00 H new ATOM 0 HA PHE A 39 1.243 -3.529 4.428 1.00 0.00 H new ATOM 0 HB2 PHE A 39 2.288 -2.935 7.311 1.00 0.00 H new ATOM 0 HB3 PHE A 39 0.747 -3.699 6.973 1.00 0.00 H new ATOM 0 HD1 PHE A 39 1.264 -6.165 5.440 1.00 0.00 H new ATOM 0 HD2 PHE A 39 3.735 -4.302 8.405 1.00 0.00 H new ATOM 0 HE1 PHE A 39 2.300 -8.341 5.965 1.00 0.00 H new ATOM 0 HE2 PHE A 39 4.728 -6.477 8.952 1.00 0.00 H new ATOM 0 HZ PHE A 39 4.025 -8.501 7.727 1.00 0.00 H new ATOM 551 N ILE A 40 -0.532 -1.638 5.375 1.00 0.00 N ATOM 552 CA ILE A 40 -1.535 -0.532 5.780 1.00 0.00 C ATOM 553 C ILE A 40 -1.784 -0.604 7.369 1.00 0.00 C ATOM 554 O ILE A 40 -1.843 -1.722 7.982 1.00 0.00 O ATOM 555 CB ILE A 40 -3.043 -0.595 4.992 1.00 0.00 C ATOM 556 CG1 ILE A 40 -3.106 -1.273 3.494 1.00 0.00 C ATOM 557 CG2 ILE A 40 -3.857 0.800 5.022 1.00 0.00 C ATOM 558 CD1 ILE A 40 -2.291 -0.647 2.337 1.00 0.00 C ATOM 0 H ILE A 40 -0.999 -2.508 5.119 1.00 0.00 H new ATOM 0 HA ILE A 40 -1.073 0.406 5.471 1.00 0.00 H new ATOM 0 HB ILE A 40 -3.552 -1.319 5.628 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -2.788 -2.311 3.592 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -4.152 -1.287 3.186 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -4.806 0.679 4.500 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -4.046 1.089 6.056 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -3.269 1.575 4.530 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -2.452 -1.223 1.426 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -2.615 0.382 2.179 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -1.231 -0.658 2.591 1.00 0.00 H new ATOM 570 N THR A 41 -1.960 0.644 7.952 1.00 0.00 N ATOM 571 CA THR A 41 -2.203 0.958 9.457 1.00 0.00 C ATOM 572 C THR A 41 -3.121 2.220 9.698 1.00 0.00 C ATOM 573 O THR A 41 -3.821 2.259 10.769 1.00 0.00 O ATOM 574 CB THR A 41 -0.887 0.983 10.456 1.00 0.00 C ATOM 575 OG1 THR A 41 0.208 1.684 9.903 1.00 0.00 O ATOM 576 CG2 THR A 41 -0.422 -0.412 10.908 1.00 0.00 C ATOM 0 H THR A 41 -1.939 1.494 7.389 1.00 0.00 H new ATOM 0 HA THR A 41 -2.745 0.063 9.763 1.00 0.00 H new ATOM 0 HB THR A 41 -1.240 1.518 11.338 1.00 0.00 H new ATOM 0 HG1 THR A 41 0.958 1.670 10.534 1.00 0.00 H new ATOM 0 HG21 THR A 41 0.445 -0.313 11.561 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.229 -0.907 11.449 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.153 -1.006 10.035 1.00 0.00 H new ATOM 584 N LYS A 42 -3.174 3.261 8.652 1.00 0.00 N ATOM 585 CA LYS A 42 -4.023 4.508 8.769 1.00 0.00 C ATOM 586 C LYS A 42 -4.968 4.687 7.495 1.00 0.00 C ATOM 587 O LYS A 42 -4.497 4.621 6.310 1.00 0.00 O ATOM 588 CB LYS A 42 -3.072 5.808 9.074 1.00 0.00 C ATOM 589 CG LYS A 42 -3.631 6.989 9.952 1.00 0.00 C ATOM 590 CD LYS A 42 -4.435 8.076 9.155 1.00 0.00 C ATOM 591 CE LYS A 42 -4.850 9.284 10.011 1.00 0.00 C ATOM 592 NZ LYS A 42 -6.027 9.041 10.945 1.00 0.00 N ATOM 0 H LYS A 42 -2.642 3.207 7.783 1.00 0.00 H new ATOM 0 HA LYS A 42 -4.699 4.408 9.618 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.165 5.443 9.557 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -2.775 6.228 8.113 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -4.277 6.574 10.726 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -2.796 7.473 10.459 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -3.828 8.425 8.319 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.328 7.617 8.731 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.993 9.599 10.606 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.098 10.112 9.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -6.232 9.910 11.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.863 8.772 10.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -5.792 8.275 11.608 1.00 0.00 H new ATOM 606 N ILE A 43 -6.337 4.856 7.815 1.00 0.00 N ATOM 607 CA ILE A 43 -7.466 5.184 6.852 1.00 0.00 C ATOM 608 C ILE A 43 -8.198 6.535 7.355 1.00 0.00 C ATOM 609 O ILE A 43 -8.577 6.647 8.566 1.00 0.00 O ATOM 610 CB ILE A 43 -8.545 3.830 6.582 1.00 0.00 C ATOM 611 CG1 ILE A 43 -7.845 2.481 5.905 1.00 0.00 C ATOM 612 CG2 ILE A 43 -9.978 4.122 5.908 1.00 0.00 C ATOM 613 CD1 ILE A 43 -7.073 2.589 4.504 1.00 0.00 C ATOM 0 H ILE A 43 -6.671 4.762 8.774 1.00 0.00 H new ATOM 0 HA ILE A 43 -7.057 5.376 5.860 1.00 0.00 H new ATOM 0 HB ILE A 43 -8.773 3.608 7.625 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -7.138 2.084 6.634 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -8.631 1.735 5.784 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -10.530 3.187 5.807 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -10.543 4.810 6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -9.833 4.567 4.923 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -6.686 1.609 4.225 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -7.762 2.939 3.735 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -6.246 3.293 4.598 1.00 0.00 H new ATOM 625 N ILE A 44 -8.377 7.526 6.359 1.00 0.00 N ATOM 626 CA ILE A 44 -9.160 8.850 6.508 1.00 0.00 C ATOM 627 C ILE A 44 -10.802 8.606 6.256 1.00 0.00 C ATOM 628 O ILE A 44 -11.142 7.946 5.239 1.00 0.00 O ATOM 629 CB ILE A 44 -8.442 10.125 5.574 1.00 0.00 C ATOM 630 CG1 ILE A 44 -7.014 10.622 6.096 1.00 0.00 C ATOM 631 CG2 ILE A 44 -9.297 11.428 5.323 1.00 0.00 C ATOM 632 CD1 ILE A 44 -5.805 9.737 5.840 1.00 0.00 C ATOM 0 H ILE A 44 -7.977 7.421 5.427 1.00 0.00 H new ATOM 0 HA ILE A 44 -9.084 9.201 7.537 1.00 0.00 H new ATOM 0 HB ILE A 44 -8.358 9.587 4.630 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -6.815 11.594 5.646 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -7.089 10.779 7.172 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -8.719 12.133 4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -10.211 11.166 4.790 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -9.552 11.885 6.279 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -4.914 10.210 6.253 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -5.956 8.768 6.317 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -5.677 9.597 4.767 1.00 0.00 H new ATOM 644 N PRO A 45 -11.846 9.179 7.229 1.00 0.00 N ATOM 645 CA PRO A 45 -13.397 9.016 7.055 1.00 0.00 C ATOM 646 C PRO A 45 -14.097 9.731 5.756 1.00 0.00 C ATOM 647 O PRO A 45 -15.202 9.265 5.319 1.00 0.00 O ATOM 648 CB PRO A 45 -13.976 9.569 8.418 1.00 0.00 C ATOM 649 CG PRO A 45 -12.814 9.595 9.380 1.00 0.00 C ATOM 650 CD PRO A 45 -11.601 9.946 8.555 1.00 0.00 C ATOM 0 HA PRO A 45 -13.626 7.972 6.843 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -14.398 10.566 8.288 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -14.777 8.930 8.790 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -12.976 10.330 10.168 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -12.689 8.628 9.867 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -11.522 11.021 8.391 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -10.678 9.629 9.040 1.00 0.00 H new ATOM 658 N GLY A 46 -13.386 10.822 5.169 1.00 0.00 N ATOM 659 CA GLY A 46 -13.837 11.594 3.955 1.00 0.00 C ATOM 660 C GLY A 46 -12.771 11.771 2.827 1.00 0.00 C ATOM 661 O GLY A 46 -12.712 12.884 2.235 1.00 0.00 O ATOM 0 H GLY A 46 -12.500 11.159 5.545 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -14.707 11.092 3.531 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -14.165 12.582 4.277 1.00 0.00 H new ATOM 665 N GLY A 47 -11.914 10.648 2.542 1.00 0.00 N ATOM 666 CA GLY A 47 -10.892 10.580 1.415 1.00 0.00 C ATOM 667 C GLY A 47 -11.374 9.922 0.067 1.00 0.00 C ATOM 668 O GLY A 47 -12.560 9.518 -0.075 1.00 0.00 O ATOM 0 H GLY A 47 -11.939 9.794 3.100 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -10.555 11.594 1.198 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -10.025 10.026 1.774 1.00 0.00 H new ATOM 672 N ALA A 48 -10.369 9.840 -0.921 1.00 0.00 N ATOM 673 CA ALA A 48 -10.467 9.318 -2.361 1.00 0.00 C ATOM 674 C ALA A 48 -10.396 7.711 -2.517 1.00 0.00 C ATOM 675 O ALA A 48 -11.126 7.156 -3.365 1.00 0.00 O ATOM 676 CB ALA A 48 -9.410 10.068 -3.264 1.00 0.00 C ATOM 0 H ALA A 48 -9.422 10.156 -0.713 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.473 9.550 -2.711 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -9.478 9.698 -4.287 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -9.614 11.139 -3.250 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -8.407 9.885 -2.878 1.00 0.00 H new ATOM 682 N ALA A 49 -9.485 6.993 -1.650 1.00 0.00 N ATOM 683 CA ALA A 49 -9.298 5.451 -1.566 1.00 0.00 C ATOM 684 C ALA A 49 -10.379 4.653 -0.667 1.00 0.00 C ATOM 685 O ALA A 49 -10.612 3.413 -0.899 1.00 0.00 O ATOM 686 CB ALA A 49 -7.861 5.118 -1.148 1.00 0.00 C ATOM 0 H ALA A 49 -8.872 7.487 -1.001 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.491 5.086 -2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.740 4.036 -1.092 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -7.165 5.523 -1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -7.655 5.557 -0.172 1.00 0.00 H new ATOM 692 N ALA A 50 -11.056 5.420 0.351 1.00 0.00 N ATOM 693 CA ALA A 50 -12.142 4.924 1.311 1.00 0.00 C ATOM 694 C ALA A 50 -13.630 5.001 0.697 1.00 0.00 C ATOM 695 O ALA A 50 -14.425 4.035 0.892 1.00 0.00 O ATOM 696 CB ALA A 50 -12.027 5.670 2.689 1.00 0.00 C ATOM 0 H ALA A 50 -10.837 6.405 0.502 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.965 3.861 1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -12.804 5.310 3.364 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.048 5.477 3.127 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.150 6.742 2.534 1.00 0.00 H new ATOM 702 N GLN A 51 -13.960 6.182 -0.073 1.00 0.00 N ATOM 703 CA GLN A 51 -15.284 6.476 -0.797 1.00 0.00 C ATOM 704 C GLN A 51 -15.336 5.973 -2.326 1.00 0.00 C ATOM 705 O GLN A 51 -16.254 5.174 -2.660 1.00 0.00 O ATOM 706 CB GLN A 51 -15.725 8.021 -0.681 1.00 0.00 C ATOM 707 CG GLN A 51 -15.958 8.589 0.786 1.00 0.00 C ATOM 708 CD GLN A 51 -16.667 10.010 0.964 1.00 0.00 C ATOM 709 OE1 GLN A 51 -17.387 10.196 1.946 1.00 0.00 O ATOM 710 NE2 GLN A 51 -16.398 11.033 0.093 1.00 0.00 N ATOM 0 H GLN A 51 -13.288 6.941 -0.189 1.00 0.00 H new ATOM 0 HA GLN A 51 -16.017 5.874 -0.260 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -14.961 8.630 -1.164 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -16.646 8.155 -1.248 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -16.550 7.855 1.333 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -14.986 8.643 1.276 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.801 10.869 -0.717 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.795 11.958 0.255 1.00 0.00 H new ATOM 719 N ASP A 52 -14.303 6.452 -3.239 1.00 0.00 N ATOM 720 CA ASP A 52 -14.234 6.188 -4.752 1.00 0.00 C ATOM 721 C ASP A 52 -13.415 4.890 -5.250 1.00 0.00 C ATOM 722 O ASP A 52 -13.830 4.270 -6.282 1.00 0.00 O ATOM 723 CB ASP A 52 -13.767 7.504 -5.518 1.00 0.00 C ATOM 724 CG ASP A 52 -14.853 8.600 -5.711 1.00 0.00 C ATOM 725 OD1 ASP A 52 -14.979 9.482 -4.825 1.00 0.00 O ATOM 726 OD2 ASP A 52 -15.552 8.575 -6.754 1.00 0.00 O ATOM 0 H ASP A 52 -13.523 7.021 -2.911 1.00 0.00 H new ATOM 0 HA ASP A 52 -15.259 5.926 -5.016 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -12.931 7.941 -4.972 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -13.391 7.215 -6.500 1.00 0.00 H new ATOM 731 N GLY A 53 -12.289 4.461 -4.461 1.00 0.00 N ATOM 732 CA GLY A 53 -11.300 3.341 -4.850 1.00 0.00 C ATOM 733 C GLY A 53 -11.656 1.874 -4.436 1.00 0.00 C ATOM 734 O GLY A 53 -11.601 0.971 -5.298 1.00 0.00 O ATOM 0 H GLY A 53 -12.066 4.886 -3.561 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -11.179 3.363 -5.933 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -10.330 3.585 -4.416 1.00 0.00 H new ATOM 738 N ARG A 54 -12.026 1.663 -3.065 1.00 0.00 N ATOM 739 CA ARG A 54 -12.400 0.339 -2.297 1.00 0.00 C ATOM 740 C ARG A 54 -11.187 -0.461 -1.631 1.00 0.00 C ATOM 741 O ARG A 54 -10.900 -1.681 -1.944 1.00 0.00 O ATOM 742 CB ARG A 54 -13.587 -0.607 -2.939 1.00 0.00 C ATOM 743 CG ARG A 54 -15.095 -0.144 -2.815 1.00 0.00 C ATOM 744 CD ARG A 54 -15.572 0.897 -3.879 1.00 0.00 C ATOM 745 NE ARG A 54 -17.028 1.291 -3.676 1.00 0.00 N ATOM 746 CZ ARG A 54 -17.860 2.140 -4.453 1.00 0.00 C ATOM 747 NH1 ARG A 54 -17.456 2.783 -5.597 1.00 0.00 N ATOM 748 NH2 ARG A 54 -19.110 2.326 -4.049 1.00 0.00 N ATOM 0 H ARG A 54 -12.073 2.461 -2.432 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.914 0.775 -1.440 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -13.369 -0.733 -3.999 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -13.507 -1.592 -2.478 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.733 -1.025 -2.883 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.245 0.282 -1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.944 1.786 -3.823 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.445 0.479 -4.878 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.475 0.882 -2.855 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -16.502 2.665 -5.939 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -18.110 3.379 -6.105 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.447 1.865 -3.204 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -19.734 2.930 -4.584 1.00 0.00 H new ATOM 762 N LEU A 55 -10.371 0.349 -0.795 1.00 0.00 N ATOM 763 CA LEU A 55 -9.253 -0.100 0.089 1.00 0.00 C ATOM 764 C LEU A 55 -9.601 0.057 1.649 1.00 0.00 C ATOM 765 O LEU A 55 -10.079 1.140 2.125 1.00 0.00 O ATOM 766 CB LEU A 55 -7.909 0.679 -0.378 1.00 0.00 C ATOM 767 CG LEU A 55 -6.528 0.536 0.364 1.00 0.00 C ATOM 768 CD1 LEU A 55 -5.584 -0.453 -0.306 1.00 0.00 C ATOM 769 CD2 LEU A 55 -5.950 1.893 0.426 1.00 0.00 C ATOM 0 H LEU A 55 -10.509 1.358 -0.745 1.00 0.00 H new ATOM 0 HA LEU A 55 -9.087 -1.171 -0.023 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -7.733 0.395 -1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -8.152 1.742 -0.376 1.00 0.00 H new ATOM 0 HG LEU A 55 -6.682 0.123 1.361 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.651 -0.504 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.047 -1.439 -0.330 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.377 -0.125 -1.325 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -4.986 1.855 0.933 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -5.813 2.277 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.623 2.551 0.976 1.00 0.00 H new ATOM 781 N ARG A 56 -9.360 -1.105 2.369 1.00 0.00 N ATOM 782 CA ARG A 56 -9.366 -1.294 3.889 1.00 0.00 C ATOM 783 C ARG A 56 -7.881 -1.601 4.428 1.00 0.00 C ATOM 784 O ARG A 56 -7.004 -2.113 3.656 1.00 0.00 O ATOM 785 CB ARG A 56 -10.412 -2.440 4.352 1.00 0.00 C ATOM 786 CG ARG A 56 -11.893 -2.093 4.309 1.00 0.00 C ATOM 787 CD ARG A 56 -12.645 -3.295 4.784 1.00 0.00 C ATOM 788 NE ARG A 56 -14.148 -3.068 4.889 1.00 0.00 N ATOM 789 CZ ARG A 56 -15.182 -3.970 5.271 1.00 0.00 C ATOM 790 NH1 ARG A 56 -14.972 -5.280 5.629 1.00 0.00 N ATOM 791 NH2 ARG A 56 -16.431 -3.519 5.284 1.00 0.00 N ATOM 0 H ARG A 56 -9.146 -1.979 1.888 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.704 -0.360 4.337 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -10.253 -3.316 3.723 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -10.163 -2.731 5.373 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -12.105 -1.232 4.943 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -12.196 -1.825 3.297 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -12.457 -4.124 4.102 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -12.261 -3.592 5.760 1.00 0.00 H new ATOM 0 HE ARG A 56 -14.461 -2.127 4.649 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -14.026 -5.663 5.632 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -15.762 -5.870 5.892 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -16.627 -2.552 5.025 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -17.195 -4.140 5.553 1.00 0.00 H new ATOM 805 N VAL A 57 -7.626 -1.324 5.804 1.00 0.00 N ATOM 806 CA VAL A 57 -6.259 -1.623 6.647 1.00 0.00 C ATOM 807 C VAL A 57 -5.681 -3.119 6.553 1.00 0.00 C ATOM 808 O VAL A 57 -4.432 -3.357 6.611 1.00 0.00 O ATOM 809 CB VAL A 57 -6.260 -1.141 8.228 1.00 0.00 C ATOM 810 CG1 VAL A 57 -6.036 0.331 8.364 1.00 0.00 C ATOM 811 CG2 VAL A 57 -7.537 -1.537 9.020 1.00 0.00 C ATOM 0 H VAL A 57 -8.338 -0.888 6.390 1.00 0.00 H new ATOM 0 HA VAL A 57 -5.577 -0.971 6.101 1.00 0.00 H new ATOM 0 HB VAL A 57 -5.426 -1.685 8.670 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -6.044 0.604 9.419 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -5.072 0.594 7.929 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -6.828 0.869 7.844 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -7.453 -1.182 10.047 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -8.411 -1.086 8.550 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -7.644 -2.622 9.019 1.00 0.00 H new ATOM 821 N ASN A 58 -6.690 -4.055 6.370 1.00 0.00 N ATOM 822 CA ASN A 58 -6.580 -5.516 6.276 1.00 0.00 C ATOM 823 C ASN A 58 -6.369 -6.069 4.733 1.00 0.00 C ATOM 824 O ASN A 58 -6.349 -7.326 4.515 1.00 0.00 O ATOM 825 CB ASN A 58 -7.790 -6.191 7.166 1.00 0.00 C ATOM 826 CG ASN A 58 -9.287 -6.051 6.661 1.00 0.00 C ATOM 827 OD1 ASN A 58 -9.778 -6.882 5.893 1.00 0.00 O ATOM 828 ND2 ASN A 58 -9.982 -5.011 7.128 1.00 0.00 N ATOM 0 H ASN A 58 -7.661 -3.754 6.282 1.00 0.00 H new ATOM 0 HA ASN A 58 -5.648 -5.858 6.726 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -7.573 -7.255 7.262 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -7.739 -5.764 8.167 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -10.955 -4.882 6.851 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -9.540 -4.345 7.762 1.00 0.00 H new ATOM 835 N ASP A 59 -6.130 -5.051 3.674 1.00 0.00 N ATOM 836 CA ASP A 59 -5.868 -5.398 2.191 1.00 0.00 C ATOM 837 C ASP A 59 -4.337 -5.632 1.804 1.00 0.00 C ATOM 838 O ASP A 59 -4.042 -6.514 0.929 1.00 0.00 O ATOM 839 CB ASP A 59 -6.598 -4.411 1.184 1.00 0.00 C ATOM 840 CG ASP A 59 -8.101 -4.711 0.940 1.00 0.00 C ATOM 841 OD1 ASP A 59 -8.948 -4.201 1.703 1.00 0.00 O ATOM 842 OD2 ASP A 59 -8.413 -5.448 -0.029 1.00 0.00 O ATOM 0 H ASP A 59 -6.124 -4.049 3.862 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.330 -6.378 2.075 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.504 -3.394 1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -6.077 -4.443 0.227 1.00 0.00 H new ATOM 847 N SER A 60 -3.329 -4.809 2.498 1.00 0.00 N ATOM 848 CA SER A 60 -1.741 -4.847 2.383 1.00 0.00 C ATOM 849 C SER A 60 -1.120 -4.962 0.913 1.00 0.00 C ATOM 850 O SER A 60 -1.373 -5.975 0.189 1.00 0.00 O ATOM 851 CB SER A 60 -1.069 -5.867 3.404 1.00 0.00 C ATOM 852 OG SER A 60 -1.303 -5.495 4.759 1.00 0.00 O ATOM 0 H SER A 60 -3.626 -4.093 3.161 1.00 0.00 H new ATOM 0 HA SER A 60 -1.467 -3.836 2.684 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.463 -6.868 3.229 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.004 -5.911 3.220 1.00 0.00 H new ATOM 0 HG SER A 60 -0.877 -6.146 5.355 1.00 0.00 H new ATOM 858 N ILE A 61 -0.270 -3.908 0.512 1.00 0.00 N ATOM 859 CA ILE A 61 0.375 -3.761 -0.903 1.00 0.00 C ATOM 860 C ILE A 61 1.727 -4.665 -1.027 1.00 0.00 C ATOM 861 O ILE A 61 2.608 -4.630 -0.119 1.00 0.00 O ATOM 862 CB ILE A 61 0.640 -2.122 -1.383 1.00 0.00 C ATOM 863 CG1 ILE A 61 -0.701 -1.197 -1.207 1.00 0.00 C ATOM 864 CG2 ILE A 61 1.126 -2.022 -2.926 1.00 0.00 C ATOM 865 CD1 ILE A 61 -0.523 0.367 -1.011 1.00 0.00 C ATOM 0 H ILE A 61 -0.014 -3.148 1.143 1.00 0.00 H new ATOM 0 HA ILE A 61 -0.357 -4.147 -1.613 1.00 0.00 H new ATOM 0 HB ILE A 61 1.422 -1.747 -0.723 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -1.328 -1.352 -2.085 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -1.255 -1.577 -0.349 1.00 0.00 H new ATOM 0 HG21 ILE A 61 1.282 -0.976 -3.191 1.00 0.00 H new ATOM 0 HG22 ILE A 61 2.059 -2.571 -3.050 1.00 0.00 H new ATOM 0 HG23 ILE A 61 0.364 -2.451 -3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -1.502 0.835 -0.910 1.00 0.00 H new ATOM 0 HD12 ILE A 61 0.065 0.557 -0.113 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -0.009 0.786 -1.876 1.00 0.00 H new ATOM 877 N LEU A 62 1.791 -5.469 -2.207 1.00 0.00 N ATOM 878 CA LEU A 62 3.043 -6.185 -2.712 1.00 0.00 C ATOM 879 C LEU A 62 3.790 -5.374 -3.822 1.00 0.00 C ATOM 880 O LEU A 62 5.050 -5.259 -3.764 1.00 0.00 O ATOM 881 CB LEU A 62 2.809 -7.751 -3.132 1.00 0.00 C ATOM 882 CG LEU A 62 1.756 -8.200 -4.256 1.00 0.00 C ATOM 883 CD1 LEU A 62 2.122 -9.550 -4.753 1.00 0.00 C ATOM 884 CD2 LEU A 62 0.331 -8.277 -3.739 1.00 0.00 C ATOM 0 H LEU A 62 0.980 -5.621 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 62 3.704 -6.227 -1.846 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.779 -8.137 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU A 62 2.533 -8.280 -2.219 1.00 0.00 H new ATOM 0 HG LEU A 62 1.796 -7.444 -5.041 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.410 -9.862 -5.517 1.00 0.00 H new ATOM 0 HD12 LEU A 62 3.124 -9.521 -5.181 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.101 -10.260 -3.926 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.333 -8.586 -4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.277 -9.003 -2.927 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.024 -7.298 -3.371 1.00 0.00 H new ATOM 896 N PHE A 63 2.949 -4.804 -4.849 1.00 0.00 N ATOM 897 CA PHE A 63 3.461 -4.053 -6.080 1.00 0.00 C ATOM 898 C PHE A 63 2.692 -2.751 -6.311 1.00 0.00 C ATOM 899 O PHE A 63 1.453 -2.741 -6.267 1.00 0.00 O ATOM 900 CB PHE A 63 3.461 -5.002 -7.425 1.00 0.00 C ATOM 901 CG PHE A 63 4.543 -6.147 -7.475 1.00 0.00 C ATOM 902 CD1 PHE A 63 4.354 -7.360 -6.803 1.00 0.00 C ATOM 903 CD2 PHE A 63 5.715 -5.978 -8.179 1.00 0.00 C ATOM 904 CE1 PHE A 63 5.284 -8.358 -6.839 1.00 0.00 C ATOM 905 CE2 PHE A 63 6.659 -6.968 -8.234 1.00 0.00 C ATOM 906 CZ PHE A 63 6.451 -8.174 -7.568 1.00 0.00 C ATOM 0 H PHE A 63 1.931 -4.868 -4.818 1.00 0.00 H new ATOM 0 HA PHE A 63 4.498 -3.785 -5.877 1.00 0.00 H new ATOM 0 HB2 PHE A 63 2.476 -5.459 -7.521 1.00 0.00 H new ATOM 0 HB3 PHE A 63 3.601 -4.361 -8.295 1.00 0.00 H new ATOM 0 HD1 PHE A 63 3.445 -7.511 -6.239 1.00 0.00 H new ATOM 0 HD2 PHE A 63 5.892 -5.047 -8.697 1.00 0.00 H new ATOM 0 HE1 PHE A 63 5.114 -9.282 -6.306 1.00 0.00 H new ATOM 0 HE2 PHE A 63 7.568 -6.814 -8.796 1.00 0.00 H new ATOM 0 HZ PHE A 63 7.191 -8.959 -7.618 1.00 0.00 H new ATOM 916 N VAL A 64 3.462 -1.607 -6.510 1.00 0.00 N ATOM 917 CA VAL A 64 2.859 -0.201 -6.801 1.00 0.00 C ATOM 918 C VAL A 64 3.367 0.287 -8.170 1.00 0.00 C ATOM 919 O VAL A 64 4.467 0.039 -8.452 1.00 0.00 O ATOM 920 CB VAL A 64 3.036 0.837 -5.529 1.00 0.00 C ATOM 921 CG1 VAL A 64 4.263 1.726 -5.268 1.00 0.00 C ATOM 922 CG2 VAL A 64 1.766 1.207 -4.807 1.00 0.00 C ATOM 0 H VAL A 64 4.481 -1.613 -6.478 1.00 0.00 H new ATOM 0 HA VAL A 64 1.774 -0.257 -6.890 1.00 0.00 H new ATOM 0 HB VAL A 64 3.637 0.065 -5.048 1.00 0.00 H new ATOM 0 HG11 VAL A 64 4.105 2.306 -4.359 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.147 1.100 -5.150 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.408 2.403 -6.110 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.998 1.892 -3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.080 1.690 -5.502 1.00 0.00 H new ATOM 0 HG23 VAL A 64 1.301 0.307 -4.405 1.00 0.00 H new ATOM 932 N ASN A 65 2.490 0.964 -9.047 1.00 0.00 N ATOM 933 CA ASN A 65 2.813 1.448 -10.567 1.00 0.00 C ATOM 934 C ASN A 65 2.938 0.228 -11.669 1.00 0.00 C ATOM 935 O ASN A 65 2.988 0.480 -12.911 1.00 0.00 O ATOM 936 CB ASN A 65 4.184 2.437 -10.695 1.00 0.00 C ATOM 937 CG ASN A 65 4.012 3.941 -10.367 1.00 0.00 C ATOM 938 OD1 ASN A 65 2.933 4.551 -10.523 1.00 0.00 O ATOM 939 ND2 ASN A 65 5.105 4.556 -9.958 1.00 0.00 N ATOM 0 H ASN A 65 1.541 1.206 -8.764 1.00 0.00 H new ATOM 0 HA ASN A 65 1.927 2.034 -10.812 1.00 0.00 H new ATOM 0 HB2 ASN A 65 4.952 2.034 -10.035 1.00 0.00 H new ATOM 0 HB3 ASN A 65 4.564 2.356 -11.713 1.00 0.00 H new ATOM 0 HD21 ASN A 65 5.084 5.556 -9.760 1.00 0.00 H new ATOM 0 HD22 ASN A 65 5.972 4.031 -9.840 1.00 0.00 H new ATOM 946 N GLU A 66 2.867 -1.120 -11.133 1.00 0.00 N ATOM 947 CA GLU A 66 3.413 -2.486 -11.727 1.00 0.00 C ATOM 948 C GLU A 66 5.021 -2.662 -11.456 1.00 0.00 C ATOM 949 O GLU A 66 5.725 -3.545 -12.062 1.00 0.00 O ATOM 950 CB GLU A 66 2.922 -2.905 -13.257 1.00 0.00 C ATOM 951 CG GLU A 66 1.453 -3.483 -13.426 1.00 0.00 C ATOM 952 CD GLU A 66 0.277 -2.463 -13.415 1.00 0.00 C ATOM 953 OE1 GLU A 66 -0.222 -2.123 -12.311 1.00 0.00 O ATOM 954 OE2 GLU A 66 -0.151 -2.045 -14.516 1.00 0.00 O ATOM 0 H GLU A 66 2.407 -1.282 -10.237 1.00 0.00 H new ATOM 0 HA GLU A 66 2.895 -3.249 -11.146 1.00 0.00 H new ATOM 0 HB2 GLU A 66 3.011 -2.023 -13.891 1.00 0.00 H new ATOM 0 HB3 GLU A 66 3.621 -3.647 -13.643 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.413 -4.033 -14.366 1.00 0.00 H new ATOM 0 HG3 GLU A 66 1.281 -4.204 -12.627 1.00 0.00 H new ATOM 961 N VAL A 67 5.520 -1.845 -10.368 1.00 0.00 N ATOM 962 CA VAL A 67 6.936 -1.698 -9.887 1.00 0.00 C ATOM 963 C VAL A 67 7.127 -2.481 -8.488 1.00 0.00 C ATOM 964 O VAL A 67 6.175 -2.502 -7.609 1.00 0.00 O ATOM 965 CB VAL A 67 7.405 -0.068 -9.903 1.00 0.00 C ATOM 966 CG1 VAL A 67 7.342 0.855 -8.615 1.00 0.00 C ATOM 967 CG2 VAL A 67 8.584 0.229 -10.767 1.00 0.00 C ATOM 0 H VAL A 67 4.882 -1.271 -9.817 1.00 0.00 H new ATOM 0 HA VAL A 67 7.634 -2.180 -10.572 1.00 0.00 H new ATOM 0 HB VAL A 67 6.485 0.281 -10.373 1.00 0.00 H new ATOM 0 HG11 VAL A 67 7.692 1.856 -8.867 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.314 0.909 -8.256 1.00 0.00 H new ATOM 0 HG13 VAL A 67 7.977 0.435 -7.835 1.00 0.00 H new ATOM 0 HG21 VAL A 67 8.813 1.293 -10.717 1.00 0.00 H new ATOM 0 HG22 VAL A 67 9.444 -0.344 -10.419 1.00 0.00 H new ATOM 0 HG23 VAL A 67 8.358 -0.045 -11.798 1.00 0.00 H new ATOM 977 N ASP A 68 8.412 -3.007 -8.300 1.00 0.00 N ATOM 978 CA ASP A 68 8.888 -3.875 -7.161 1.00 0.00 C ATOM 979 C ASP A 68 9.300 -3.078 -5.864 1.00 0.00 C ATOM 980 O ASP A 68 10.417 -2.472 -5.782 1.00 0.00 O ATOM 981 CB ASP A 68 9.936 -5.062 -7.616 1.00 0.00 C ATOM 982 CG ASP A 68 11.256 -4.644 -8.373 1.00 0.00 C ATOM 983 OD1 ASP A 68 12.278 -4.395 -7.695 1.00 0.00 O ATOM 984 OD2 ASP A 68 11.233 -4.586 -9.623 1.00 0.00 O ATOM 0 H ASP A 68 9.158 -2.822 -8.970 1.00 0.00 H new ATOM 0 HA ASP A 68 8.001 -4.424 -6.843 1.00 0.00 H new ATOM 0 HB2 ASP A 68 10.226 -5.611 -6.720 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.393 -5.758 -8.255 1.00 0.00 H new ATOM 989 N VAL A 69 8.281 -3.037 -4.909 1.00 0.00 N ATOM 990 CA VAL A 69 8.409 -2.452 -3.469 1.00 0.00 C ATOM 991 C VAL A 69 8.858 -3.516 -2.356 1.00 0.00 C ATOM 992 O VAL A 69 9.255 -3.130 -1.233 1.00 0.00 O ATOM 993 CB VAL A 69 7.212 -1.421 -2.963 1.00 0.00 C ATOM 994 CG1 VAL A 69 7.176 -0.135 -3.708 1.00 0.00 C ATOM 995 CG2 VAL A 69 5.769 -2.002 -2.768 1.00 0.00 C ATOM 0 H VAL A 69 7.348 -3.403 -5.100 1.00 0.00 H new ATOM 0 HA VAL A 69 9.256 -1.777 -3.591 1.00 0.00 H new ATOM 0 HB VAL A 69 7.546 -1.231 -1.943 1.00 0.00 H new ATOM 0 HG11 VAL A 69 6.368 0.487 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 69 8.126 0.385 -3.583 1.00 0.00 H new ATOM 0 HG13 VAL A 69 7.007 -0.332 -4.767 1.00 0.00 H new ATOM 0 HG21 VAL A 69 5.099 -1.209 -2.436 1.00 0.00 H new ATOM 0 HG22 VAL A 69 5.409 -2.408 -3.713 1.00 0.00 H new ATOM 0 HG23 VAL A 69 5.794 -2.794 -2.019 1.00 0.00 H new ATOM 1005 N ARG A 70 8.864 -4.876 -2.786 1.00 0.00 N ATOM 1006 CA ARG A 70 9.278 -6.177 -1.958 1.00 0.00 C ATOM 1007 C ARG A 70 10.668 -6.096 -1.095 1.00 0.00 C ATOM 1008 O ARG A 70 10.808 -6.799 -0.046 1.00 0.00 O ATOM 1009 CB ARG A 70 9.286 -7.461 -2.887 1.00 0.00 C ATOM 1010 CG ARG A 70 7.894 -8.104 -3.226 1.00 0.00 C ATOM 1011 CD ARG A 70 7.994 -9.385 -4.122 1.00 0.00 C ATOM 1012 NE ARG A 70 8.529 -10.651 -3.410 1.00 0.00 N ATOM 1013 CZ ARG A 70 8.928 -11.895 -3.960 1.00 0.00 C ATOM 1014 NH1 ARG A 70 8.921 -12.184 -5.302 1.00 0.00 N ATOM 1015 NH2 ARG A 70 9.343 -12.842 -3.129 1.00 0.00 N ATOM 0 H ARG A 70 8.578 -5.119 -3.734 1.00 0.00 H new ATOM 0 HA ARG A 70 8.498 -6.248 -1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 70 9.775 -7.198 -3.825 1.00 0.00 H new ATOM 0 HB3 ARG A 70 9.903 -8.222 -2.409 1.00 0.00 H new ATOM 0 HG2 ARG A 70 7.386 -8.360 -2.296 1.00 0.00 H new ATOM 0 HG3 ARG A 70 7.276 -7.364 -3.734 1.00 0.00 H new ATOM 0 HD2 ARG A 70 7.005 -9.605 -4.524 1.00 0.00 H new ATOM 0 HD3 ARG A 70 8.641 -9.165 -4.971 1.00 0.00 H new ATOM 0 HE ARG A 70 8.606 -10.580 -2.395 1.00 0.00 H new ATOM 0 HH11 ARG A 70 8.615 -11.480 -5.974 1.00 0.00 H new ATOM 0 HH12 ARG A 70 9.222 -13.103 -5.627 1.00 0.00 H new ATOM 0 HH21 ARG A 70 9.368 -12.664 -2.125 1.00 0.00 H new ATOM 0 HH22 ARG A 70 9.637 -13.748 -3.494 1.00 0.00 H new ATOM 1029 N GLU A 71 11.658 -5.158 -1.582 1.00 0.00 N ATOM 1030 CA GLU A 71 13.019 -4.810 -0.980 1.00 0.00 C ATOM 1031 C GLU A 71 13.405 -3.298 -1.448 1.00 0.00 C ATOM 1032 O GLU A 71 14.164 -3.070 -2.460 1.00 0.00 O ATOM 1033 CB GLU A 71 14.175 -5.945 -1.346 1.00 0.00 C ATOM 1034 CG GLU A 71 15.457 -6.107 -0.405 1.00 0.00 C ATOM 1035 CD GLU A 71 15.246 -6.948 0.899 1.00 0.00 C ATOM 1036 OE1 GLU A 71 14.849 -6.368 1.941 1.00 0.00 O ATOM 1037 OE2 GLU A 71 15.502 -8.179 0.865 1.00 0.00 O ATOM 0 H GLU A 71 11.487 -4.626 -2.435 1.00 0.00 H new ATOM 0 HA GLU A 71 12.968 -4.831 0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.677 -6.914 -1.387 1.00 0.00 H new ATOM 0 HB3 GLU A 71 14.535 -5.729 -2.352 1.00 0.00 H new ATOM 0 HG2 GLU A 71 16.255 -6.569 -0.987 1.00 0.00 H new ATOM 0 HG3 GLU A 71 15.803 -5.113 -0.121 1.00 0.00 H new ATOM 1044 N VAL A 72 12.716 -2.281 -0.748 1.00 0.00 N ATOM 1045 CA VAL A 72 12.943 -0.731 -0.886 1.00 0.00 C ATOM 1046 C VAL A 72 12.895 -0.059 0.550 1.00 0.00 C ATOM 1047 O VAL A 72 12.364 -0.651 1.511 1.00 0.00 O ATOM 1048 CB VAL A 72 11.882 0.114 -2.007 1.00 0.00 C ATOM 1049 CG1 VAL A 72 11.888 -0.454 -3.442 1.00 0.00 C ATOM 1050 CG2 VAL A 72 10.417 0.556 -1.592 1.00 0.00 C ATOM 0 H VAL A 72 11.986 -2.503 -0.071 1.00 0.00 H new ATOM 0 HA VAL A 72 13.930 -0.627 -1.338 1.00 0.00 H new ATOM 0 HB VAL A 72 12.412 1.065 -1.955 1.00 0.00 H new ATOM 0 HG11 VAL A 72 11.207 0.126 -4.066 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.896 -0.394 -3.853 1.00 0.00 H new ATOM 0 HG13 VAL A 72 11.565 -1.495 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 72 9.938 1.061 -2.431 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.835 -0.324 -1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.469 1.236 -0.742 1.00 0.00 H new ATOM 1060 N THR A 73 13.377 1.236 0.580 1.00 0.00 N ATOM 1061 CA THR A 73 13.253 2.272 1.734 1.00 0.00 C ATOM 1062 C THR A 73 11.793 2.966 1.734 1.00 0.00 C ATOM 1063 O THR A 73 11.064 2.886 0.712 1.00 0.00 O ATOM 1064 CB THR A 73 14.413 3.424 1.702 1.00 0.00 C ATOM 1065 OG1 THR A 73 14.702 3.931 0.381 1.00 0.00 O ATOM 1066 CG2 THR A 73 15.697 3.022 2.415 1.00 0.00 C ATOM 0 H THR A 73 13.884 1.623 -0.216 1.00 0.00 H new ATOM 0 HA THR A 73 13.391 1.706 2.655 1.00 0.00 H new ATOM 0 HB THR A 73 13.970 4.243 2.268 1.00 0.00 H new ATOM 0 HG1 THR A 73 15.401 4.615 0.439 1.00 0.00 H new ATOM 0 HG21 THR A 73 16.419 3.836 2.351 1.00 0.00 H new ATOM 0 HG22 THR A 73 15.481 2.810 3.462 1.00 0.00 H new ATOM 0 HG23 THR A 73 16.112 2.132 1.943 1.00 0.00 H new ATOM 1074 N HIS A 74 11.388 3.641 2.922 1.00 0.00 N ATOM 1075 CA HIS A 74 10.071 4.472 3.183 1.00 0.00 C ATOM 1076 C HIS A 74 9.780 5.550 1.960 1.00 0.00 C ATOM 1077 O HIS A 74 8.777 5.361 1.139 1.00 0.00 O ATOM 1078 CB HIS A 74 10.254 5.133 4.670 1.00 0.00 C ATOM 1079 CG HIS A 74 9.055 5.829 5.412 1.00 0.00 C ATOM 1080 ND1 HIS A 74 8.991 7.206 5.612 1.00 0.00 N ATOM 1081 CD2 HIS A 74 7.983 5.315 6.101 1.00 0.00 C ATOM 1082 CE1 HIS A 74 7.944 7.504 6.390 1.00 0.00 C ATOM 1083 NE2 HIS A 74 7.323 6.376 6.694 1.00 0.00 N ATOM 0 H HIS A 74 11.982 3.625 3.751 1.00 0.00 H new ATOM 0 HA HIS A 74 9.172 3.855 3.178 1.00 0.00 H new ATOM 0 HB2 HIS A 74 10.616 4.342 5.326 1.00 0.00 H new ATOM 0 HB3 HIS A 74 11.051 5.873 4.592 1.00 0.00 H new ATOM 0 HD2 HIS A 74 7.706 4.273 6.167 1.00 0.00 H new ATOM 0 HE1 HIS A 74 7.656 8.493 6.714 1.00 0.00 H new ATOM 0 HE2 HIS A 74 6.488 6.301 7.275 1.00 0.00 H new ATOM 1092 N SER A 75 10.888 6.449 1.683 1.00 0.00 N ATOM 1093 CA SER A 75 10.962 7.517 0.582 1.00 0.00 C ATOM 1094 C SER A 75 10.868 6.930 -0.911 1.00 0.00 C ATOM 1095 O SER A 75 10.190 7.548 -1.743 1.00 0.00 O ATOM 1096 CB SER A 75 12.229 8.433 0.760 1.00 0.00 C ATOM 1097 OG SER A 75 12.174 9.200 1.962 1.00 0.00 O ATOM 0 H SER A 75 11.741 6.422 2.242 1.00 0.00 H new ATOM 0 HA SER A 75 10.069 8.129 0.709 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.126 7.813 0.767 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.313 9.105 -0.094 1.00 0.00 H new ATOM 0 HG SER A 75 12.980 9.753 2.034 1.00 0.00 H new ATOM 1103 N ALA A 76 11.394 5.565 -1.143 1.00 0.00 N ATOM 1104 CA ALA A 76 11.406 4.819 -2.453 1.00 0.00 C ATOM 1105 C ALA A 76 9.967 4.176 -2.828 1.00 0.00 C ATOM 1106 O ALA A 76 9.694 3.895 -4.041 1.00 0.00 O ATOM 1107 CB ALA A 76 12.513 3.766 -2.367 1.00 0.00 C ATOM 0 H ALA A 76 11.803 5.017 -0.386 1.00 0.00 H new ATOM 0 HA ALA A 76 11.609 5.513 -3.269 1.00 0.00 H new ATOM 0 HB1 ALA A 76 12.553 3.203 -3.300 1.00 0.00 H new ATOM 0 HB2 ALA A 76 13.471 4.258 -2.198 1.00 0.00 H new ATOM 0 HB3 ALA A 76 12.304 3.085 -1.541 1.00 0.00 H new ATOM 1113 N ALA A 77 9.028 4.002 -1.713 1.00 0.00 N ATOM 1114 CA ALA A 77 7.566 3.576 -1.818 1.00 0.00 C ATOM 1115 C ALA A 77 6.579 4.812 -2.012 1.00 0.00 C ATOM 1116 O ALA A 77 5.629 4.706 -2.820 1.00 0.00 O ATOM 1117 CB ALA A 77 7.160 2.701 -0.600 1.00 0.00 C ATOM 0 H ALA A 77 9.312 4.165 -0.747 1.00 0.00 H new ATOM 0 HA ALA A 77 7.471 2.970 -2.719 1.00 0.00 H new ATOM 0 HB1 ALA A 77 6.114 2.408 -0.695 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.785 1.809 -0.568 1.00 0.00 H new ATOM 0 HB3 ALA A 77 7.295 3.271 0.319 1.00 0.00 H new ATOM 1123 N VAL A 78 6.903 6.031 -1.295 1.00 0.00 N ATOM 1124 CA VAL A 78 6.114 7.414 -1.351 1.00 0.00 C ATOM 1125 C VAL A 78 6.338 8.192 -2.774 1.00 0.00 C ATOM 1126 O VAL A 78 5.357 8.699 -3.337 1.00 0.00 O ATOM 1127 CB VAL A 78 6.424 8.372 0.018 1.00 0.00 C ATOM 1128 CG1 VAL A 78 5.672 9.740 0.105 1.00 0.00 C ATOM 1129 CG2 VAL A 78 6.028 7.652 1.284 1.00 0.00 C ATOM 0 H VAL A 78 7.709 6.078 -0.671 1.00 0.00 H new ATOM 0 HA VAL A 78 5.048 7.190 -1.314 1.00 0.00 H new ATOM 0 HB VAL A 78 7.492 8.563 -0.085 1.00 0.00 H new ATOM 0 HG11 VAL A 78 5.956 10.254 1.023 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.939 10.357 -0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.596 9.564 0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 78 6.237 8.287 2.145 1.00 0.00 H new ATOM 0 HG22 VAL A 78 4.963 7.421 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 78 6.597 6.727 1.370 1.00 0.00 H new ATOM 1139 N GLU A 79 7.657 8.188 -3.315 1.00 0.00 N ATOM 1140 CA GLU A 79 8.149 8.813 -4.705 1.00 0.00 C ATOM 1141 C GLU A 79 7.526 8.124 -6.010 1.00 0.00 C ATOM 1142 O GLU A 79 7.537 8.709 -7.115 1.00 0.00 O ATOM 1143 CB GLU A 79 9.712 8.845 -4.820 1.00 0.00 C ATOM 1144 CG GLU A 79 10.420 9.893 -3.916 1.00 0.00 C ATOM 1145 CD GLU A 79 11.955 9.992 -4.095 1.00 0.00 C ATOM 1146 OE1 GLU A 79 12.696 9.267 -3.373 1.00 0.00 O ATOM 1147 OE2 GLU A 79 12.416 10.817 -4.930 1.00 0.00 O ATOM 0 H GLU A 79 8.427 7.752 -2.808 1.00 0.00 H new ATOM 0 HA GLU A 79 7.765 9.833 -4.679 1.00 0.00 H new ATOM 0 HB2 GLU A 79 10.099 7.856 -4.574 1.00 0.00 H new ATOM 0 HB3 GLU A 79 9.980 9.043 -5.858 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.984 10.872 -4.113 1.00 0.00 H new ATOM 0 HG3 GLU A 79 10.207 9.653 -2.874 1.00 0.00 H new ATOM 1154 N ALA A 80 6.963 6.842 -5.811 1.00 0.00 N ATOM 1155 CA ALA A 80 6.094 6.077 -6.783 1.00 0.00 C ATOM 1156 C ALA A 80 4.554 6.613 -6.796 1.00 0.00 C ATOM 1157 O ALA A 80 3.877 6.536 -7.857 1.00 0.00 O ATOM 1158 CB ALA A 80 6.209 4.561 -6.499 1.00 0.00 C ATOM 0 H ALA A 80 7.118 6.323 -4.947 1.00 0.00 H new ATOM 0 HA ALA A 80 6.459 6.257 -7.794 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.582 4.011 -7.201 1.00 0.00 H new ATOM 0 HB2 ALA A 80 7.246 4.247 -6.616 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.880 4.356 -5.480 1.00 0.00 H new ATOM 1164 N LEU A 81 4.060 7.206 -5.556 1.00 0.00 N ATOM 1165 CA LEU A 81 2.661 7.813 -5.318 1.00 0.00 C ATOM 1166 C LEU A 81 2.522 9.378 -5.569 1.00 0.00 C ATOM 1167 O LEU A 81 1.437 9.845 -6.037 1.00 0.00 O ATOM 1168 CB LEU A 81 2.046 7.337 -3.915 1.00 0.00 C ATOM 1169 CG LEU A 81 1.855 5.793 -3.718 1.00 0.00 C ATOM 1170 CD1 LEU A 81 2.371 5.350 -2.390 1.00 0.00 C ATOM 1171 CD2 LEU A 81 0.422 5.314 -3.963 1.00 0.00 C ATOM 0 H LEU A 81 4.646 7.258 -4.723 1.00 0.00 H new ATOM 0 HA LEU A 81 2.044 7.397 -6.115 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.692 7.704 -3.118 1.00 0.00 H new ATOM 0 HB3 LEU A 81 1.077 7.819 -3.787 1.00 0.00 H new ATOM 0 HG LEU A 81 2.455 5.313 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 81 2.225 4.275 -2.283 1.00 0.00 H new ATOM 0 HD12 LEU A 81 3.434 5.580 -2.317 1.00 0.00 H new ATOM 0 HD13 LEU A 81 1.832 5.870 -1.598 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.367 4.236 -3.808 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.253 5.815 -3.269 1.00 0.00 H new ATOM 0 HD23 LEU A 81 0.130 5.549 -4.987 1.00 0.00 H new ATOM 1183 N LYS A 82 3.655 10.166 -5.256 1.00 0.00 N ATOM 1184 CA LYS A 82 3.817 11.682 -5.459 1.00 0.00 C ATOM 1185 C LYS A 82 4.315 12.095 -6.923 1.00 0.00 C ATOM 1186 O LYS A 82 3.783 13.092 -7.493 1.00 0.00 O ATOM 1187 CB LYS A 82 4.739 12.342 -4.323 1.00 0.00 C ATOM 1188 CG LYS A 82 4.063 12.616 -2.943 1.00 0.00 C ATOM 1189 CD LYS A 82 5.043 13.266 -1.956 1.00 0.00 C ATOM 1190 CE LYS A 82 4.372 13.610 -0.621 1.00 0.00 C ATOM 1191 NZ LYS A 82 5.324 14.243 0.332 1.00 0.00 N ATOM 0 H LYS A 82 4.491 9.748 -4.848 1.00 0.00 H new ATOM 0 HA LYS A 82 2.811 12.090 -5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.596 11.689 -4.158 1.00 0.00 H new ATOM 0 HB3 LYS A 82 5.127 13.286 -4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.200 13.267 -3.082 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.692 11.680 -2.526 1.00 0.00 H new ATOM 0 HD2 LYS A 82 5.879 12.590 -1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 82 5.455 14.173 -2.399 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.534 14.284 -0.799 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.962 12.703 -0.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.832 14.460 1.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 6.111 13.590 0.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 5.696 15.122 -0.081 1.00 0.00 H new ATOM 1205 N GLU A 83 5.324 11.264 -7.521 1.00 0.00 N ATOM 1206 CA GLU A 83 6.026 11.540 -8.910 1.00 0.00 C ATOM 1207 C GLU A 83 5.426 10.928 -10.235 1.00 0.00 C ATOM 1208 O GLU A 83 5.801 11.421 -11.376 1.00 0.00 O ATOM 1209 CB GLU A 83 7.549 11.346 -8.846 1.00 0.00 C ATOM 1210 CG GLU A 83 8.243 12.484 -8.112 1.00 0.00 C ATOM 1211 CD GLU A 83 9.795 12.454 -8.114 1.00 0.00 C ATOM 1212 OE1 GLU A 83 10.412 13.043 -9.045 1.00 0.00 O ATOM 1213 OE2 GLU A 83 10.391 11.869 -7.166 1.00 0.00 O ATOM 0 H GLU A 83 5.663 10.414 -7.071 1.00 0.00 H new ATOM 0 HA GLU A 83 5.771 12.593 -9.033 1.00 0.00 H new ATOM 0 HB2 GLU A 83 7.773 10.404 -8.346 1.00 0.00 H new ATOM 0 HB3 GLU A 83 7.947 11.272 -9.858 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.918 13.426 -8.554 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.901 12.483 -7.077 1.00 0.00 H new ATOM 1220 N ALA A 84 4.421 9.905 -10.125 1.00 0.00 N ATOM 1221 CA ALA A 84 3.704 9.201 -11.376 1.00 0.00 C ATOM 1222 C ALA A 84 2.965 10.209 -12.422 1.00 0.00 C ATOM 1223 O ALA A 84 2.813 9.877 -13.649 1.00 0.00 O ATOM 1224 CB ALA A 84 2.793 8.047 -10.939 1.00 0.00 C ATOM 0 H ALA A 84 4.092 9.554 -9.226 1.00 0.00 H new ATOM 0 HA ALA A 84 4.527 8.783 -11.956 1.00 0.00 H new ATOM 0 HB1 ALA A 84 2.328 7.598 -11.817 1.00 0.00 H new ATOM 0 HB2 ALA A 84 3.384 7.294 -10.417 1.00 0.00 H new ATOM 0 HB3 ALA A 84 2.019 8.427 -10.272 1.00 0.00 H new ATOM 1230 N GLY A 85 2.569 11.451 -11.852 1.00 0.00 N ATOM 1231 CA GLY A 85 2.142 12.669 -12.608 1.00 0.00 C ATOM 1232 C GLY A 85 0.713 13.143 -12.453 1.00 0.00 C ATOM 1233 O GLY A 85 0.485 14.377 -12.443 1.00 0.00 O ATOM 0 H GLY A 85 2.551 11.596 -10.842 1.00 0.00 H new ATOM 0 HA2 GLY A 85 2.798 13.489 -12.316 1.00 0.00 H new ATOM 0 HA3 GLY A 85 2.318 12.482 -13.667 1.00 0.00 H new ATOM 1237 N SER A 86 -0.284 12.130 -12.297 1.00 0.00 N ATOM 1238 CA SER A 86 -1.828 12.282 -12.196 1.00 0.00 C ATOM 1239 C SER A 86 -2.565 10.912 -11.917 1.00 0.00 C ATOM 1240 O SER A 86 -3.599 10.910 -11.225 1.00 0.00 O ATOM 1241 CB SER A 86 -2.475 13.026 -13.476 1.00 0.00 C ATOM 1242 OG SER A 86 -2.262 12.347 -14.735 1.00 0.00 O ATOM 0 H SER A 86 -0.011 11.149 -12.237 1.00 0.00 H new ATOM 0 HA SER A 86 -1.989 12.924 -11.330 1.00 0.00 H new ATOM 0 HB2 SER A 86 -3.547 13.135 -13.313 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.059 14.031 -13.545 1.00 0.00 H new ATOM 0 HG SER A 86 -2.684 12.857 -15.457 1.00 0.00 H new ATOM 1248 N ILE A 87 -1.978 9.743 -12.494 1.00 0.00 N ATOM 1249 CA ILE A 87 -2.566 8.334 -12.475 1.00 0.00 C ATOM 1250 C ILE A 87 -1.531 7.348 -11.774 1.00 0.00 C ATOM 1251 O ILE A 87 -0.391 7.110 -12.287 1.00 0.00 O ATOM 1252 CB ILE A 87 -3.150 7.835 -14.025 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -4.237 8.881 -14.745 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -3.638 6.309 -14.175 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -5.640 9.243 -14.067 1.00 0.00 C ATOM 0 H ILE A 87 -1.082 9.780 -12.980 1.00 0.00 H new ATOM 0 HA ILE A 87 -3.471 8.314 -11.868 1.00 0.00 H new ATOM 0 HB ILE A 87 -2.218 7.887 -14.588 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -3.711 9.823 -14.901 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -4.460 8.473 -15.731 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.978 6.134 -15.196 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -2.809 5.638 -13.948 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -4.458 6.119 -13.482 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -6.184 9.938 -14.706 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -6.227 8.334 -13.937 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -5.466 9.704 -13.095 1.00 0.00 H new ATOM 1267 N VAL A 88 -2.025 6.805 -10.590 1.00 0.00 N ATOM 1268 CA VAL A 88 -1.308 5.866 -9.627 1.00 0.00 C ATOM 1269 C VAL A 88 -2.104 4.481 -9.465 1.00 0.00 C ATOM 1270 O VAL A 88 -3.281 4.461 -8.986 1.00 0.00 O ATOM 1271 CB VAL A 88 -0.920 6.632 -8.220 1.00 0.00 C ATOM 1272 CG1 VAL A 88 0.400 7.362 -8.216 1.00 0.00 C ATOM 1273 CG2 VAL A 88 -1.880 6.975 -7.031 1.00 0.00 C ATOM 0 H VAL A 88 -2.970 7.019 -10.271 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.346 5.579 -10.052 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.034 5.620 -7.830 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.555 7.829 -7.243 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.207 6.656 -8.412 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.394 8.130 -8.990 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.320 7.483 -6.246 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.680 7.625 -7.385 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -2.309 6.055 -6.633 1.00 0.00 H new ATOM 1283 N ARG A 89 -1.403 3.356 -9.901 1.00 0.00 N ATOM 1284 CA ARG A 89 -1.962 1.904 -9.995 1.00 0.00 C ATOM 1285 C ARG A 89 -1.298 0.844 -9.003 1.00 0.00 C ATOM 1286 O ARG A 89 -0.210 0.291 -9.279 1.00 0.00 O ATOM 1287 CB ARG A 89 -2.209 1.375 -11.545 1.00 0.00 C ATOM 1288 CG ARG A 89 -1.060 1.445 -12.581 1.00 0.00 C ATOM 1289 CD ARG A 89 -1.628 1.066 -13.914 1.00 0.00 C ATOM 1290 NE ARG A 89 -0.621 1.184 -15.050 1.00 0.00 N ATOM 1291 CZ ARG A 89 -0.762 0.870 -16.431 1.00 0.00 C ATOM 1292 NH1 ARG A 89 -1.903 0.355 -16.993 1.00 0.00 N ATOM 1293 NH2 ARG A 89 0.279 1.082 -17.226 1.00 0.00 N ATOM 0 H ARG A 89 -0.430 3.416 -10.201 1.00 0.00 H new ATOM 0 HA ARG A 89 -2.969 1.987 -9.586 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -2.528 0.334 -11.485 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -3.046 1.942 -11.951 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -0.637 2.449 -12.616 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.252 0.768 -12.303 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -1.995 0.041 -13.867 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -2.486 1.702 -14.130 1.00 0.00 H new ATOM 0 HE ARG A 89 0.295 1.543 -14.780 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -2.721 0.174 -16.411 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -1.933 0.153 -17.992 1.00 0.00 H new ATOM 0 HH21 ARG A 89 1.146 1.459 -16.842 1.00 0.00 H new ATOM 0 HH22 ARG A 89 0.213 0.868 -18.221 1.00 0.00 H new ATOM 1307 N LEU A 90 -2.057 0.568 -7.845 1.00 0.00 N ATOM 1308 CA LEU A 90 -1.685 -0.348 -6.676 1.00 0.00 C ATOM 1309 C LEU A 90 -2.235 -1.840 -6.814 1.00 0.00 C ATOM 1310 O LEU A 90 -3.373 -2.066 -7.319 1.00 0.00 O ATOM 1311 CB LEU A 90 -2.078 0.359 -5.199 1.00 0.00 C ATOM 1312 CG LEU A 90 -3.558 0.776 -4.696 1.00 0.00 C ATOM 1313 CD1 LEU A 90 -4.384 1.718 -5.524 1.00 0.00 C ATOM 1314 CD2 LEU A 90 -4.316 -0.369 -4.111 1.00 0.00 C ATOM 0 H LEU A 90 -2.972 0.997 -7.707 1.00 0.00 H new ATOM 0 HA LEU A 90 -0.601 -0.458 -6.712 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -1.692 -0.320 -4.439 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -1.483 1.271 -5.144 1.00 0.00 H new ATOM 0 HG LEU A 90 -3.311 1.461 -3.885 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -5.344 1.885 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -3.859 2.668 -5.627 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -4.549 1.286 -6.511 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -5.301 -0.028 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.429 -1.152 -4.861 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.773 -0.764 -3.253 1.00 0.00 H new ATOM 1326 N TYR A 91 -1.355 -2.828 -6.328 1.00 0.00 N ATOM 1327 CA TYR A 91 -1.582 -4.318 -6.293 1.00 0.00 C ATOM 1328 C TYR A 91 -1.455 -4.870 -4.825 1.00 0.00 C ATOM 1329 O TYR A 91 -0.297 -4.885 -4.203 1.00 0.00 O ATOM 1330 CB TYR A 91 -0.600 -5.087 -7.352 1.00 0.00 C ATOM 1331 CG TYR A 91 -0.929 -6.578 -7.788 1.00 0.00 C ATOM 1332 CD1 TYR A 91 -2.180 -6.966 -8.318 1.00 0.00 C ATOM 1333 CD2 TYR A 91 0.029 -7.553 -7.636 1.00 0.00 C ATOM 1334 CE1 TYR A 91 -2.443 -8.240 -8.663 1.00 0.00 C ATOM 1335 CE2 TYR A 91 -0.211 -8.852 -7.989 1.00 0.00 C ATOM 1336 CZ TYR A 91 -1.453 -9.206 -8.505 1.00 0.00 C ATOM 1337 OH TYR A 91 -1.695 -10.510 -8.876 1.00 0.00 O ATOM 0 H TYR A 91 -0.445 -2.577 -5.942 1.00 0.00 H new ATOM 0 HA TYR A 91 -2.603 -4.524 -6.615 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -0.562 -4.483 -8.259 1.00 0.00 H new ATOM 0 HB3 TYR A 91 0.403 -5.086 -6.926 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -2.948 -6.218 -8.450 1.00 0.00 H new ATOM 0 HD2 TYR A 91 0.993 -7.286 -7.228 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -3.411 -8.510 -9.058 1.00 0.00 H new ATOM 0 HE2 TYR A 91 0.560 -9.599 -7.868 1.00 0.00 H new ATOM 0 HH TYR A 91 -0.899 -11.053 -8.700 1.00 0.00 H new ATOM 1347 N VAL A 92 -2.682 -5.355 -4.337 1.00 0.00 N ATOM 1348 CA VAL A 92 -2.971 -5.889 -2.897 1.00 0.00 C ATOM 1349 C VAL A 92 -3.164 -7.526 -2.776 1.00 0.00 C ATOM 1350 O VAL A 92 -3.565 -8.209 -3.781 1.00 0.00 O ATOM 1351 CB VAL A 92 -4.204 -5.046 -2.111 1.00 0.00 C ATOM 1352 CG1 VAL A 92 -3.913 -3.546 -1.919 1.00 0.00 C ATOM 1353 CG2 VAL A 92 -5.627 -5.253 -2.727 1.00 0.00 C ATOM 0 H VAL A 92 -3.511 -5.390 -4.930 1.00 0.00 H new ATOM 0 HA VAL A 92 -2.045 -5.680 -2.362 1.00 0.00 H new ATOM 0 HB VAL A 92 -4.217 -5.506 -1.123 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -4.752 -3.075 -1.407 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -3.009 -3.424 -1.322 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -3.771 -3.075 -2.892 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -6.357 -4.675 -2.160 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -5.627 -4.919 -3.764 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.891 -6.310 -2.687 1.00 0.00 H new ATOM 1363 N MET A 93 -2.959 -8.041 -1.463 1.00 0.00 N ATOM 1364 CA MET A 93 -2.956 -9.541 -1.016 1.00 0.00 C ATOM 1365 C MET A 93 -3.961 -9.876 0.198 1.00 0.00 C ATOM 1366 O MET A 93 -3.796 -9.337 1.338 1.00 0.00 O ATOM 1367 CB MET A 93 -1.433 -10.174 -0.813 1.00 0.00 C ATOM 1368 CG MET A 93 -0.428 -9.501 0.214 1.00 0.00 C ATOM 1369 SD MET A 93 1.167 -10.340 0.276 1.00 0.00 S ATOM 1370 CE MET A 93 2.030 -9.344 1.489 1.00 0.00 C ATOM 0 H MET A 93 -2.789 -7.415 -0.676 1.00 0.00 H new ATOM 0 HA MET A 93 -3.376 -10.075 -1.868 1.00 0.00 H new ATOM 0 HB2 MET A 93 -1.551 -11.216 -0.516 1.00 0.00 H new ATOM 0 HB3 MET A 93 -0.948 -10.174 -1.789 1.00 0.00 H new ATOM 0 HG2 MET A 93 -0.275 -8.458 -0.064 1.00 0.00 H new ATOM 0 HG3 MET A 93 -0.875 -9.504 1.208 1.00 0.00 H new ATOM 0 HE1 MET A 93 3.035 -9.740 1.636 1.00 0.00 H new ATOM 0 HE2 MET A 93 2.093 -8.315 1.136 1.00 0.00 H new ATOM 0 HE3 MET A 93 1.488 -9.371 2.434 1.00 0.00 H new ATOM 1380 N ARG A 94 -5.003 -10.793 -0.107 1.00 0.00 N ATOM 1381 CA ARG A 94 -6.105 -11.300 0.857 1.00 0.00 C ATOM 1382 C ARG A 94 -6.287 -12.882 0.813 1.00 0.00 C ATOM 1383 O ARG A 94 -6.408 -13.478 -0.283 1.00 0.00 O ATOM 1384 CB ARG A 94 -7.536 -10.453 0.787 1.00 0.00 C ATOM 1385 CG ARG A 94 -8.280 -10.259 -0.622 1.00 0.00 C ATOM 1386 CD ARG A 94 -9.599 -9.428 -0.542 1.00 0.00 C ATOM 1387 NE ARG A 94 -10.799 -10.176 0.080 1.00 0.00 N ATOM 1388 CZ ARG A 94 -12.157 -9.780 0.179 1.00 0.00 C ATOM 1389 NH1 ARG A 94 -12.650 -8.591 -0.297 1.00 0.00 N ATOM 1390 NH2 ARG A 94 -13.009 -10.610 0.765 1.00 0.00 N ATOM 0 H ARG A 94 -5.095 -11.199 -1.038 1.00 0.00 H new ATOM 0 HA ARG A 94 -5.726 -11.074 1.854 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -8.238 -10.945 1.460 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -7.346 -9.460 1.194 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -7.597 -9.769 -1.316 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -8.507 -11.241 -1.038 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -9.409 -8.527 0.041 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -9.871 -9.106 -1.547 1.00 0.00 H new ATOM 0 HE ARG A 94 -10.583 -11.090 0.478 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -12.026 -7.928 -0.757 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -13.640 -8.371 -0.191 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -12.681 -11.504 1.129 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -13.993 -10.354 0.852 1.00 0.00 H new ATOM 1604 N SER B 8 3.244 9.259 5.641 1.00 0.00 N ATOM 1605 CA SER B 8 3.163 8.724 4.193 1.00 0.00 C ATOM 1606 C SER B 8 1.732 8.917 3.440 1.00 0.00 C ATOM 1607 O SER B 8 0.778 9.492 4.031 1.00 0.00 O ATOM 1608 CB SER B 8 3.621 7.221 4.193 1.00 0.00 C ATOM 1609 OG SER B 8 4.958 7.053 4.650 1.00 0.00 O ATOM 0 HA SER B 8 3.835 9.342 3.597 1.00 0.00 H new ATOM 0 HB2 SER B 8 2.950 6.641 4.826 1.00 0.00 H new ATOM 0 HB3 SER B 8 3.533 6.819 3.184 1.00 0.00 H new ATOM 0 HG SER B 8 5.105 6.115 4.893 1.00 0.00 H new ATOM 1615 N VAL B 9 1.656 8.420 2.075 1.00 0.00 N ATOM 1616 CA VAL B 9 0.449 8.480 1.116 1.00 0.00 C ATOM 1617 C VAL B 9 -0.102 6.961 0.938 1.00 0.00 C ATOM 1618 O VAL B 9 0.246 6.263 -0.037 1.00 0.00 O ATOM 1619 CB VAL B 9 0.820 9.236 -0.397 1.00 0.00 C ATOM 1620 CG1 VAL B 9 -0.423 9.692 -1.160 1.00 0.00 C ATOM 1621 CG2 VAL B 9 1.764 10.473 -0.316 1.00 0.00 C ATOM 1622 OXT VAL B 9 -0.835 6.531 1.797 1.00 0.00 O ATOM 0 H VAL B 9 2.459 7.967 1.638 1.00 0.00 H new ATOM 0 HA VAL B 9 -0.328 9.114 1.543 1.00 0.00 H new ATOM 0 HB VAL B 9 1.337 8.432 -0.920 1.00 0.00 H new ATOM 0 HG11 VAL B 9 -0.123 10.158 -2.099 1.00 0.00 H new ATOM 0 HG12 VAL B 9 -1.058 8.831 -1.368 1.00 0.00 H new ATOM 0 HG13 VAL B 9 -0.975 10.413 -0.558 1.00 0.00 H new ATOM 0 HG21 VAL B 9 1.931 10.869 -1.318 1.00 0.00 H new ATOM 0 HG22 VAL B 9 1.305 11.241 0.306 1.00 0.00 H new ATOM 0 HG23 VAL B 9 2.718 10.175 0.120 1.00 0.00 H new