USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 575 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 61 SER OG : rot 180:sc= 0.0209 USER MOD Set 1.2: A 93 TYR OH : rot 146:sc= 0.0219 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.11) USER MOD Single : A 8 HIS : no HD1:sc= -0.324 K(o=-0.32,f=-0.89) USER MOD Single : A 9 HIS : no HD1:sc= -0.21 K(o=-0.21,f=-6.6!) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl -169:sc= 0 (180deg=-0.116) USER MOD Single : A 44 THR OG1 : rot -70:sc= -0.281 USER MOD Single : A 48 MET CE :methyl -120:sc= -0.116 (180deg=-2.11!) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 143:sc= -0.348 (180deg=-1.14!) USER MOD Single : A 63 CYS SG : rot 78:sc= -0.295 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0.0942 X(o=0.094,f=-0.23) USER MOD Single : A 69 ASN : amide:sc= -1.93 K(o=-1.9,f=-0.44) USER MOD Single : A 76 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 HIS : no HD1:sc= -0.188 X(o=-0.19,f=-0.021) USER MOD Single : A 79 TYR OH : rot -112:sc= 0.711 USER MOD Single : A 80 THR OG1 : rot -80:sc= -2.51! USER MOD Single : A 85 GLN : amide:sc= -0.0827 X(o=-0.083,f=0) USER MOD Single : A 86 GLN : amide:sc= -0.0514 X(o=-0.051,f=-0.34) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N HIS A 6 -14.159 45.702 -8.181 1.00 0.00 N ATOM 67 CA HIS A 6 -13.856 44.508 -8.962 1.00 0.00 C ATOM 68 C HIS A 6 -14.394 43.257 -8.273 1.00 0.00 C ATOM 69 O HIS A 6 -13.998 42.935 -7.153 1.00 0.00 O ATOM 70 CB HIS A 6 -12.346 44.380 -9.169 1.00 0.00 C ATOM 71 CG HIS A 6 -11.870 44.940 -10.473 1.00 0.00 C ATOM 72 ND1 HIS A 6 -11.657 46.288 -10.637 1.00 0.00 N ATOM 73 CD2 HIS A 6 -11.583 44.301 -11.634 1.00 0.00 C ATOM 74 CE1 HIS A 6 -11.248 46.441 -11.884 1.00 0.00 C ATOM 75 NE2 HIS A 6 -11.189 45.265 -12.525 1.00 0.00 N ATOM 0 HA HIS A 6 -14.343 44.605 -9.933 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -11.832 44.890 -8.355 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -12.068 43.328 -9.112 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -11.652 43.239 -11.820 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.994 47.391 -12.330 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -10.905 45.116 -13.493 1.00 0.00 H new ATOM 83 N HIS A 7 -15.297 42.556 -8.952 1.00 0.00 N ATOM 84 CA HIS A 7 -15.889 41.340 -8.404 1.00 0.00 C ATOM 85 C HIS A 7 -15.147 40.102 -8.895 1.00 0.00 C ATOM 86 O HIS A 7 -15.197 39.766 -10.080 1.00 0.00 O ATOM 87 CB HIS A 7 -17.367 41.248 -8.788 1.00 0.00 C ATOM 88 CG HIS A 7 -18.271 42.031 -7.889 1.00 0.00 C ATOM 89 ND1 HIS A 7 -17.888 43.246 -7.370 1.00 0.00 N ATOM 90 CD2 HIS A 7 -19.517 41.734 -7.447 1.00 0.00 C ATOM 91 CE1 HIS A 7 -18.902 43.659 -6.630 1.00 0.00 C ATOM 92 NE2 HIS A 7 -19.910 42.776 -6.647 1.00 0.00 N ATOM 0 H HIS A 7 -15.634 42.808 -9.881 1.00 0.00 H new ATOM 0 HA HIS A 7 -15.805 41.384 -7.318 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -17.490 41.603 -9.811 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -17.673 40.202 -8.774 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -20.090 40.848 -7.680 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -18.917 44.589 -6.082 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -20.801 42.863 -6.158 1.00 0.00 H new ATOM 100 N HIS A 8 -14.461 39.427 -7.979 1.00 0.00 N ATOM 101 CA HIS A 8 -13.709 38.224 -8.320 1.00 0.00 C ATOM 102 C HIS A 8 -14.638 37.022 -8.459 1.00 0.00 C ATOM 103 O HIS A 8 -15.594 36.873 -7.698 1.00 0.00 O ATOM 104 CB HIS A 8 -12.645 37.943 -7.255 1.00 0.00 C ATOM 105 CG HIS A 8 -13.166 38.012 -5.853 1.00 0.00 C ATOM 106 ND1 HIS A 8 -13.913 36.990 -5.315 1.00 0.00 N ATOM 107 CD2 HIS A 8 -13.022 38.991 -4.928 1.00 0.00 C ATOM 108 CE1 HIS A 8 -14.204 37.367 -4.082 1.00 0.00 C ATOM 109 NE2 HIS A 8 -13.686 38.572 -3.805 1.00 0.00 N ATOM 0 H HIS A 8 -14.410 39.692 -6.995 1.00 0.00 H new ATOM 0 HA HIS A 8 -13.218 38.392 -9.278 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -12.222 36.953 -7.428 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -11.832 38.661 -7.367 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -12.488 39.921 -5.052 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -14.785 36.779 -3.387 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -13.770 39.081 -2.925 1.00 0.00 H new ATOM 117 N HIS A 9 -14.350 36.169 -9.437 1.00 0.00 N ATOM 118 CA HIS A 9 -15.159 34.980 -9.679 1.00 0.00 C ATOM 119 C HIS A 9 -14.434 33.722 -9.211 1.00 0.00 C ATOM 120 O HIS A 9 -15.064 32.721 -8.872 1.00 0.00 O ATOM 121 CB HIS A 9 -15.501 34.859 -11.166 1.00 0.00 C ATOM 122 CG HIS A 9 -14.398 35.301 -12.078 1.00 0.00 C ATOM 123 ND1 HIS A 9 -13.077 35.090 -11.759 1.00 0.00 N ATOM 124 CD2 HIS A 9 -14.469 35.933 -13.275 1.00 0.00 C ATOM 125 CE1 HIS A 9 -12.378 35.594 -12.760 1.00 0.00 C ATOM 126 NE2 HIS A 9 -13.180 36.114 -13.701 1.00 0.00 N ATOM 0 H HIS A 9 -13.562 36.279 -10.075 1.00 0.00 H new ATOM 0 HA HIS A 9 -16.082 35.081 -9.108 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -15.750 33.821 -11.389 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -16.391 35.452 -11.374 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -15.368 36.235 -13.792 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -11.299 35.588 -12.814 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -12.886 36.560 -14.570 1.00 0.00 H new ATOM 134 N HIS A 10 -13.106 33.782 -9.193 1.00 0.00 N ATOM 135 CA HIS A 10 -12.296 32.647 -8.767 1.00 0.00 C ATOM 136 C HIS A 10 -11.415 33.020 -7.580 1.00 0.00 C ATOM 137 O HIS A 10 -11.179 34.199 -7.314 1.00 0.00 O ATOM 138 CB HIS A 10 -11.430 32.149 -9.926 1.00 0.00 C ATOM 139 CG HIS A 10 -12.009 30.967 -10.641 1.00 0.00 C ATOM 140 ND1 HIS A 10 -11.653 29.682 -10.306 1.00 0.00 N ATOM 141 CD2 HIS A 10 -12.912 30.928 -11.652 1.00 0.00 C ATOM 142 CE1 HIS A 10 -12.338 28.895 -11.116 1.00 0.00 C ATOM 143 NE2 HIS A 10 -13.114 29.605 -11.948 1.00 0.00 N ATOM 0 H HIS A 10 -12.569 34.604 -9.468 1.00 0.00 H new ATOM 0 HA HIS A 10 -12.970 31.848 -8.457 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -11.289 32.961 -10.639 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -10.444 31.885 -9.545 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -13.381 31.775 -12.131 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -12.280 27.817 -11.109 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -13.736 29.232 -12.665 1.00 0.00 H new ATOM 151 N SER A 11 -10.931 32.007 -6.867 1.00 0.00 N ATOM 152 CA SER A 11 -10.077 32.226 -5.707 1.00 0.00 C ATOM 153 C SER A 11 -8.620 31.916 -6.036 1.00 0.00 C ATOM 154 O SER A 11 -8.328 30.986 -6.787 1.00 0.00 O ATOM 155 CB SER A 11 -10.542 31.360 -4.534 1.00 0.00 C ATOM 156 OG SER A 11 -11.942 31.471 -4.341 1.00 0.00 O ATOM 0 H SER A 11 -11.117 31.026 -7.074 1.00 0.00 H new ATOM 0 HA SER A 11 -10.151 33.277 -5.427 1.00 0.00 H new ATOM 0 HB2 SER A 11 -10.279 30.319 -4.720 1.00 0.00 H new ATOM 0 HB3 SER A 11 -10.021 31.663 -3.626 1.00 0.00 H new ATOM 0 HG SER A 11 -12.214 30.907 -3.587 1.00 0.00 H new ATOM 162 N SER A 12 -7.712 32.703 -5.469 1.00 0.00 N ATOM 163 CA SER A 12 -6.284 32.516 -5.700 1.00 0.00 C ATOM 164 C SER A 12 -5.655 31.691 -4.584 1.00 0.00 C ATOM 165 O SER A 12 -5.421 32.192 -3.483 1.00 0.00 O ATOM 166 CB SER A 12 -5.584 33.871 -5.805 1.00 0.00 C ATOM 167 OG SER A 12 -5.332 34.215 -7.156 1.00 0.00 O ATOM 0 H SER A 12 -7.940 33.477 -4.845 1.00 0.00 H new ATOM 0 HA SER A 12 -6.160 31.976 -6.639 1.00 0.00 H new ATOM 0 HB2 SER A 12 -6.202 34.639 -5.341 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.644 33.841 -5.253 1.00 0.00 H new ATOM 0 HG SER A 12 -4.885 35.087 -7.194 1.00 0.00 H new ATOM 173 N GLY A 13 -5.381 30.422 -4.874 1.00 0.00 N ATOM 174 CA GLY A 13 -4.785 29.546 -3.882 1.00 0.00 C ATOM 175 C GLY A 13 -3.318 29.275 -4.150 1.00 0.00 C ATOM 176 O GLY A 13 -2.944 28.164 -4.527 1.00 0.00 O ATOM 0 H GLY A 13 -5.561 29.985 -5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -4.893 29.995 -2.895 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -5.328 28.601 -3.864 1.00 0.00 H new ATOM 390 N ASP A 27 1.013 3.696 -4.211 1.00 0.00 N ATOM 391 CA ASP A 27 0.087 2.986 -5.086 1.00 0.00 C ATOM 392 C ASP A 27 -0.984 2.249 -4.291 1.00 0.00 C ATOM 393 O ASP A 27 -2.139 2.678 -4.254 1.00 0.00 O ATOM 394 CB ASP A 27 0.841 1.996 -5.972 1.00 0.00 C ATOM 395 CG ASP A 27 -0.094 1.121 -6.785 1.00 0.00 C ATOM 396 OD1 ASP A 27 -0.665 1.623 -7.776 1.00 0.00 O ATOM 397 OD2 ASP A 27 -0.258 -0.065 -6.429 1.00 0.00 O ATOM 0 HA ASP A 27 -0.405 3.731 -5.712 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.500 2.544 -6.646 1.00 0.00 H new ATOM 0 HB3 ASP A 27 1.475 1.365 -5.349 1.00 0.00 H new ATOM 402 N TYR A 28 -0.617 1.118 -3.688 1.00 0.00 N ATOM 403 CA TYR A 28 -1.590 0.320 -2.944 1.00 0.00 C ATOM 404 C TYR A 28 -1.052 -0.129 -1.589 1.00 0.00 C ATOM 405 O TYR A 28 0.151 -0.072 -1.330 1.00 0.00 O ATOM 406 CB TYR A 28 -2.008 -0.902 -3.765 1.00 0.00 C ATOM 407 CG TYR A 28 -3.503 -1.129 -3.799 1.00 0.00 C ATOM 408 CD1 TYR A 28 -4.312 -0.421 -4.679 1.00 0.00 C ATOM 409 CD2 TYR A 28 -4.104 -2.052 -2.953 1.00 0.00 C ATOM 410 CE1 TYR A 28 -5.678 -0.626 -4.713 1.00 0.00 C ATOM 411 CE2 TYR A 28 -5.469 -2.264 -2.982 1.00 0.00 C ATOM 412 CZ TYR A 28 -6.251 -1.548 -3.864 1.00 0.00 C ATOM 413 OH TYR A 28 -7.612 -1.755 -3.896 1.00 0.00 O ATOM 0 H TYR A 28 0.330 0.739 -3.699 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.456 0.956 -2.761 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -1.644 -0.785 -4.786 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -1.524 -1.788 -3.354 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -3.866 0.301 -5.347 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -3.494 -2.614 -2.261 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -6.294 -0.066 -5.402 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -5.921 -2.986 -2.318 1.00 0.00 H new ATOM 0 HH TYR A 28 -7.855 -2.438 -3.236 1.00 0.00 H new ATOM 423 N ARG A 29 -1.965 -0.581 -0.729 1.00 0.00 N ATOM 424 CA ARG A 29 -1.610 -1.054 0.604 1.00 0.00 C ATOM 425 C ARG A 29 -2.316 -2.370 0.922 1.00 0.00 C ATOM 426 O ARG A 29 -3.542 -2.414 1.042 1.00 0.00 O ATOM 427 CB ARG A 29 -1.978 -0.002 1.654 1.00 0.00 C ATOM 428 CG ARG A 29 -0.964 0.121 2.780 1.00 0.00 C ATOM 429 CD ARG A 29 -1.199 1.376 3.607 1.00 0.00 C ATOM 430 NE ARG A 29 -0.634 1.263 4.948 1.00 0.00 N ATOM 431 CZ ARG A 29 -1.366 1.223 6.058 1.00 0.00 C ATOM 432 NH1 ARG A 29 -2.690 1.284 5.986 1.00 0.00 N ATOM 433 NH2 ARG A 29 -0.777 1.122 7.241 1.00 0.00 N ATOM 0 H ARG A 29 -2.963 -0.628 -0.937 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.534 -1.224 0.627 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.082 0.966 1.164 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -2.951 -0.251 2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.025 -0.757 3.423 1.00 0.00 H new ATOM 0 HG3 ARG A 29 0.043 0.142 2.364 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -0.757 2.233 3.099 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -2.270 1.566 3.680 1.00 0.00 H new ATOM 0 HE ARG A 29 0.381 1.212 5.039 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -3.148 1.362 5.078 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -3.249 1.253 6.839 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.240 1.075 7.302 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -1.341 1.092 8.090 1.00 0.00 H new ATOM 447 N LEU A 30 -1.537 -3.438 1.063 1.00 0.00 N ATOM 448 CA LEU A 30 -2.084 -4.756 1.373 1.00 0.00 C ATOM 449 C LEU A 30 -1.723 -5.164 2.801 1.00 0.00 C ATOM 450 O LEU A 30 -0.823 -5.973 3.014 1.00 0.00 O ATOM 451 CB LEU A 30 -1.551 -5.792 0.373 1.00 0.00 C ATOM 452 CG LEU A 30 -2.478 -6.979 0.080 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.437 -7.983 1.222 1.00 0.00 C ATOM 454 CD2 LEU A 30 -3.905 -6.504 -0.170 1.00 0.00 C ATOM 0 H LEU A 30 -0.522 -3.417 0.967 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.170 -4.712 1.293 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.335 -5.284 -0.567 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.605 -6.179 0.750 1.00 0.00 H new ATOM 0 HG LEU A 30 -2.123 -7.473 -0.824 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.101 -8.818 0.997 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.419 -8.352 1.346 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.762 -7.500 2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.544 -7.363 -0.375 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.274 -5.980 0.712 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.919 -5.829 -1.025 1.00 0.00 H new ATOM 466 N ASP A 31 -2.433 -4.602 3.777 1.00 0.00 N ATOM 467 CA ASP A 31 -2.152 -4.880 5.184 1.00 0.00 C ATOM 468 C ASP A 31 -3.173 -5.842 5.792 1.00 0.00 C ATOM 469 O ASP A 31 -3.971 -5.456 6.646 1.00 0.00 O ATOM 470 CB ASP A 31 -2.129 -3.575 5.984 1.00 0.00 C ATOM 471 CG ASP A 31 -3.049 -2.521 5.400 1.00 0.00 C ATOM 472 OD1 ASP A 31 -4.257 -2.802 5.257 1.00 0.00 O ATOM 473 OD2 ASP A 31 -2.561 -1.417 5.083 1.00 0.00 O ATOM 0 H ASP A 31 -3.205 -3.954 3.620 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.174 -5.359 5.233 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.422 -3.779 7.014 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.110 -3.188 6.013 1.00 0.00 H new ATOM 478 N MET A 32 -3.153 -7.091 5.333 1.00 0.00 N ATOM 479 CA MET A 32 -4.054 -8.113 5.860 1.00 0.00 C ATOM 480 C MET A 32 -3.317 -9.437 6.092 1.00 0.00 C ATOM 481 O MET A 32 -2.540 -9.572 7.039 1.00 0.00 O ATOM 482 CB MET A 32 -5.250 -8.320 4.924 1.00 0.00 C ATOM 483 CG MET A 32 -4.996 -7.872 3.493 1.00 0.00 C ATOM 484 SD MET A 32 -6.515 -7.446 2.619 1.00 0.00 S ATOM 485 CE MET A 32 -7.436 -8.976 2.766 1.00 0.00 C ATOM 0 H MET A 32 -2.525 -7.419 4.599 1.00 0.00 H new ATOM 0 HA MET A 32 -4.426 -7.762 6.822 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.519 -9.376 4.922 1.00 0.00 H new ATOM 0 HB3 MET A 32 -6.107 -7.774 5.319 1.00 0.00 H new ATOM 0 HG2 MET A 32 -4.331 -7.009 3.499 1.00 0.00 H new ATOM 0 HG3 MET A 32 -4.482 -8.667 2.953 1.00 0.00 H new ATOM 0 HE1 MET A 32 -8.309 -8.940 2.114 1.00 0.00 H new ATOM 0 HE2 MET A 32 -6.800 -9.813 2.476 1.00 0.00 H new ATOM 0 HE3 MET A 32 -7.760 -9.108 3.798 1.00 0.00 H new ATOM 495 N VAL A 33 -3.592 -10.424 5.239 1.00 0.00 N ATOM 496 CA VAL A 33 -2.962 -11.736 5.348 1.00 0.00 C ATOM 497 C VAL A 33 -2.492 -12.229 3.981 1.00 0.00 C ATOM 498 O VAL A 33 -3.186 -12.058 2.980 1.00 0.00 O ATOM 499 CB VAL A 33 -3.931 -12.772 5.953 1.00 0.00 C ATOM 500 CG1 VAL A 33 -3.288 -14.150 6.009 1.00 0.00 C ATOM 501 CG2 VAL A 33 -4.388 -12.334 7.336 1.00 0.00 C ATOM 0 H VAL A 33 -4.249 -10.337 4.464 1.00 0.00 H new ATOM 0 HA VAL A 33 -2.102 -11.627 6.008 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.807 -12.835 5.307 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.992 -14.863 6.440 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -3.020 -14.468 5.001 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -2.391 -14.108 6.626 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.071 -13.078 7.746 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -3.522 -12.236 7.991 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -4.899 -11.374 7.263 1.00 0.00 H new ATOM 511 N GLY A 34 -1.317 -12.849 3.952 1.00 0.00 N ATOM 512 CA GLY A 34 -0.781 -13.365 2.704 1.00 0.00 C ATOM 513 C GLY A 34 -1.605 -14.513 2.152 1.00 0.00 C ATOM 514 O GLY A 34 -1.344 -15.676 2.455 1.00 0.00 O ATOM 0 H GLY A 34 -0.726 -13.004 4.769 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -0.743 -12.562 1.968 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.244 -13.700 2.863 1.00 0.00 H new ATOM 518 N GLU A 35 -2.608 -14.183 1.343 1.00 0.00 N ATOM 519 CA GLU A 35 -3.476 -15.192 0.751 1.00 0.00 C ATOM 520 C GLU A 35 -2.873 -15.737 -0.543 1.00 0.00 C ATOM 521 O GLU A 35 -2.423 -14.972 -1.396 1.00 0.00 O ATOM 522 CB GLU A 35 -4.863 -14.598 0.481 1.00 0.00 C ATOM 523 CG GLU A 35 -5.667 -15.360 -0.561 1.00 0.00 C ATOM 524 CD GLU A 35 -7.120 -14.931 -0.605 1.00 0.00 C ATOM 525 OE1 GLU A 35 -7.384 -13.714 -0.515 1.00 0.00 O ATOM 526 OE2 GLU A 35 -7.995 -15.813 -0.731 1.00 0.00 O ATOM 0 H GLU A 35 -2.838 -13.224 1.083 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.574 -16.018 1.455 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.426 -14.575 1.414 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.748 -13.565 0.153 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.218 -15.209 -1.543 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -5.614 -16.427 -0.346 1.00 0.00 H new ATOM 593 N PRO A 40 -5.437 -10.243 -3.202 1.00 0.00 N ATOM 594 CA PRO A 40 -4.787 -9.049 -2.645 1.00 0.00 C ATOM 595 C PRO A 40 -3.836 -8.376 -3.636 1.00 0.00 C ATOM 596 O PRO A 40 -4.142 -7.314 -4.180 1.00 0.00 O ATOM 597 CB PRO A 40 -4.012 -9.593 -1.442 1.00 0.00 C ATOM 598 CG PRO A 40 -3.764 -11.025 -1.763 1.00 0.00 C ATOM 599 CD PRO A 40 -4.954 -11.483 -2.555 1.00 0.00 C ATOM 0 HA PRO A 40 -5.513 -8.278 -2.389 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.076 -9.053 -1.297 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.586 -9.488 -0.522 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -2.845 -11.143 -2.337 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -3.650 -11.615 -0.853 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -4.680 -12.239 -3.291 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -5.717 -11.925 -1.914 1.00 0.00 H new ATOM 607 N ALA A 41 -2.692 -9.012 -3.876 1.00 0.00 N ATOM 608 CA ALA A 41 -1.668 -8.478 -4.778 1.00 0.00 C ATOM 609 C ALA A 41 -2.201 -8.187 -6.180 1.00 0.00 C ATOM 610 O ALA A 41 -1.460 -7.701 -7.034 1.00 0.00 O ATOM 611 CB ALA A 41 -0.498 -9.442 -4.872 1.00 0.00 C ATOM 0 H ALA A 41 -2.447 -9.908 -3.454 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.343 -7.529 -4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 41 0.256 -9.034 -5.545 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -0.063 -9.584 -3.883 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -0.846 -10.401 -5.256 1.00 0.00 H new ATOM 617 N VAL A 42 -3.469 -8.500 -6.431 1.00 0.00 N ATOM 618 CA VAL A 42 -4.064 -8.237 -7.737 1.00 0.00 C ATOM 619 C VAL A 42 -3.828 -6.785 -8.145 1.00 0.00 C ATOM 620 O VAL A 42 -3.734 -6.467 -9.332 1.00 0.00 O ATOM 621 CB VAL A 42 -5.577 -8.539 -7.741 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.217 -8.089 -9.047 1.00 0.00 C ATOM 623 CG2 VAL A 42 -5.820 -10.022 -7.511 1.00 0.00 C ATOM 0 H VAL A 42 -4.099 -8.932 -5.755 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.583 -8.899 -8.457 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.040 -7.980 -6.928 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.284 -8.313 -9.026 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.074 -7.016 -9.171 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.752 -8.616 -9.880 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -6.892 -10.220 -7.516 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -5.341 -10.596 -8.304 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -5.402 -10.314 -6.548 1.00 0.00 H new ATOM 633 N ALA A 43 -3.720 -5.910 -7.148 1.00 0.00 N ATOM 634 CA ALA A 43 -3.460 -4.497 -7.392 1.00 0.00 C ATOM 635 C ALA A 43 -2.018 -4.279 -7.837 1.00 0.00 C ATOM 636 O ALA A 43 -1.737 -3.417 -8.669 1.00 0.00 O ATOM 637 CB ALA A 43 -3.762 -3.681 -6.145 1.00 0.00 C ATOM 0 H ALA A 43 -3.809 -6.157 -6.162 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.117 -4.162 -8.195 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.563 -2.628 -6.342 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.810 -3.808 -5.872 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.130 -4.022 -5.325 1.00 0.00 H new ATOM 643 N THR A 44 -1.109 -5.066 -7.268 1.00 0.00 N ATOM 644 CA THR A 44 0.309 -4.968 -7.595 1.00 0.00 C ATOM 645 C THR A 44 0.543 -5.169 -9.089 1.00 0.00 C ATOM 646 O THR A 44 1.157 -4.331 -9.751 1.00 0.00 O ATOM 647 CB THR A 44 1.107 -6.004 -6.801 1.00 0.00 C ATOM 648 OG1 THR A 44 0.409 -6.377 -5.626 1.00 0.00 O ATOM 649 CG2 THR A 44 2.478 -5.516 -6.385 1.00 0.00 C ATOM 0 H THR A 44 -1.331 -5.781 -6.576 1.00 0.00 H new ATOM 0 HA THR A 44 0.648 -3.968 -7.325 1.00 0.00 H new ATOM 0 HB THR A 44 1.232 -6.852 -7.475 1.00 0.00 H new ATOM 0 HG1 THR A 44 0.409 -5.628 -4.994 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.989 -6.300 -5.826 1.00 0.00 H new ATOM 0 HG22 THR A 44 3.059 -5.265 -7.272 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.374 -4.631 -5.757 1.00 0.00 H new ATOM 657 N LEU A 45 0.044 -6.284 -9.614 1.00 0.00 N ATOM 658 CA LEU A 45 0.204 -6.602 -11.029 1.00 0.00 C ATOM 659 C LEU A 45 -0.455 -5.544 -11.909 1.00 0.00 C ATOM 660 O LEU A 45 0.146 -5.063 -12.870 1.00 0.00 O ATOM 661 CB LEU A 45 -0.392 -7.978 -11.336 1.00 0.00 C ATOM 662 CG LEU A 45 0.488 -9.168 -10.946 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.227 -10.478 -11.244 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.822 -9.110 -11.675 1.00 0.00 C ATOM 0 H LEU A 45 -0.474 -6.982 -9.081 1.00 0.00 H new ATOM 0 HA LEU A 45 1.271 -6.616 -11.250 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.347 -8.067 -10.818 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.602 -8.036 -12.404 1.00 0.00 H new ATOM 0 HG LEU A 45 0.681 -9.116 -9.875 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.412 -11.314 -10.961 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.156 -10.523 -10.676 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.450 -10.537 -12.309 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.433 -9.964 -11.384 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.650 -9.136 -12.751 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.340 -8.188 -11.413 1.00 0.00 H new ATOM 676 N GLU A 46 -1.692 -5.188 -11.577 1.00 0.00 N ATOM 677 CA GLU A 46 -2.429 -4.185 -12.341 1.00 0.00 C ATOM 678 C GLU A 46 -1.749 -2.823 -12.242 1.00 0.00 C ATOM 679 O GLU A 46 -1.981 -1.940 -13.068 1.00 0.00 O ATOM 680 CB GLU A 46 -3.877 -4.096 -11.847 1.00 0.00 C ATOM 681 CG GLU A 46 -4.069 -3.168 -10.656 1.00 0.00 C ATOM 682 CD GLU A 46 -5.530 -2.914 -10.344 1.00 0.00 C ATOM 683 OE1 GLU A 46 -6.109 -1.976 -10.931 1.00 0.00 O ATOM 684 OE2 GLU A 46 -6.097 -3.655 -9.514 1.00 0.00 O ATOM 0 H GLU A 46 -2.205 -5.578 -10.786 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.435 -4.489 -13.388 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.509 -3.754 -12.666 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -4.219 -5.095 -11.575 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.585 -3.601 -9.781 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -3.574 -2.218 -10.857 1.00 0.00 H new ATOM 691 N ALA A 47 -0.922 -2.657 -11.215 1.00 0.00 N ATOM 692 CA ALA A 47 -0.198 -1.409 -11.009 1.00 0.00 C ATOM 693 C ALA A 47 0.926 -1.251 -12.028 1.00 0.00 C ATOM 694 O ALA A 47 1.287 -0.133 -12.397 1.00 0.00 O ATOM 695 CB ALA A 47 0.356 -1.347 -9.594 1.00 0.00 C ATOM 0 H ALA A 47 -0.737 -3.372 -10.512 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.898 -0.585 -11.149 1.00 0.00 H new ATOM 0 HB1 ALA A 47 0.894 -0.409 -9.455 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -0.465 -1.404 -8.879 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.036 -2.183 -9.433 1.00 0.00 H new ATOM 701 N MET A 48 1.483 -2.378 -12.471 1.00 0.00 N ATOM 702 CA MET A 48 2.585 -2.367 -13.431 1.00 0.00 C ATOM 703 C MET A 48 2.261 -1.505 -14.655 1.00 0.00 C ATOM 704 O MET A 48 3.020 -0.598 -14.987 1.00 0.00 O ATOM 705 CB MET A 48 2.938 -3.794 -13.862 1.00 0.00 C ATOM 706 CG MET A 48 4.185 -4.340 -13.185 1.00 0.00 C ATOM 707 SD MET A 48 5.707 -3.749 -13.950 1.00 0.00 S ATOM 708 CE MET A 48 5.667 -4.626 -15.511 1.00 0.00 C ATOM 0 H MET A 48 1.189 -3.310 -12.180 1.00 0.00 H new ATOM 0 HA MET A 48 3.448 -1.925 -12.934 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.097 -4.451 -13.641 1.00 0.00 H new ATOM 0 HB3 MET A 48 3.082 -3.814 -14.942 1.00 0.00 H new ATOM 0 HG2 MET A 48 4.177 -4.054 -12.133 1.00 0.00 H new ATOM 0 HG3 MET A 48 4.165 -5.429 -13.220 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.550 -5.259 -15.595 1.00 0.00 H new ATOM 0 HE2 MET A 48 4.771 -5.245 -15.558 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.656 -3.908 -16.331 1.00 0.00 H new ATOM 718 N PRO A 49 1.133 -1.764 -15.352 1.00 0.00 N ATOM 719 CA PRO A 49 0.747 -0.967 -16.520 1.00 0.00 C ATOM 720 C PRO A 49 0.303 0.435 -16.123 1.00 0.00 C ATOM 721 O PRO A 49 0.625 1.416 -16.794 1.00 0.00 O ATOM 722 CB PRO A 49 -0.418 -1.755 -17.122 1.00 0.00 C ATOM 723 CG PRO A 49 -1.007 -2.493 -15.971 1.00 0.00 C ATOM 724 CD PRO A 49 0.139 -2.815 -15.051 1.00 0.00 C ATOM 0 HA PRO A 49 1.574 -0.822 -17.215 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.149 -1.091 -17.583 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.075 -2.439 -17.898 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.757 -1.887 -15.462 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.506 -3.403 -16.305 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -0.167 -2.789 -14.005 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.539 -3.811 -15.242 1.00 0.00 H new ATOM 732 N GLN A 50 -0.432 0.520 -15.017 1.00 0.00 N ATOM 733 CA GLN A 50 -0.913 1.798 -14.507 1.00 0.00 C ATOM 734 C GLN A 50 0.222 2.611 -13.884 1.00 0.00 C ATOM 735 O GLN A 50 -0.019 3.653 -13.273 1.00 0.00 O ATOM 736 CB GLN A 50 -2.014 1.570 -13.469 1.00 0.00 C ATOM 737 CG GLN A 50 -3.367 1.239 -14.075 1.00 0.00 C ATOM 738 CD GLN A 50 -4.489 2.074 -13.488 1.00 0.00 C ATOM 739 OE1 GLN A 50 -4.613 2.200 -12.270 1.00 0.00 O ATOM 740 NE2 GLN A 50 -5.313 2.652 -14.356 1.00 0.00 N ATOM 0 H GLN A 50 -0.708 -0.286 -14.456 1.00 0.00 H new ATOM 0 HA GLN A 50 -1.316 2.362 -15.348 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -1.714 0.758 -12.807 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.111 2.464 -12.853 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.327 1.397 -15.153 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.584 0.183 -13.916 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -5.173 2.520 -15.358 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -6.086 3.227 -14.020 1.00 0.00 H new ATOM 749 N LEU A 51 1.454 2.121 -14.028 1.00 0.00 N ATOM 750 CA LEU A 51 2.621 2.788 -13.467 1.00 0.00 C ATOM 751 C LEU A 51 2.606 4.287 -13.758 1.00 0.00 C ATOM 752 O LEU A 51 2.036 4.733 -14.753 1.00 0.00 O ATOM 753 CB LEU A 51 3.897 2.156 -14.028 1.00 0.00 C ATOM 754 CG LEU A 51 4.390 2.745 -15.353 1.00 0.00 C ATOM 755 CD1 LEU A 51 5.861 3.125 -15.253 1.00 0.00 C ATOM 756 CD2 LEU A 51 4.168 1.762 -16.491 1.00 0.00 C ATOM 0 H LEU A 51 1.666 1.260 -14.532 1.00 0.00 H new ATOM 0 HA LEU A 51 2.595 2.661 -12.385 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.690 2.258 -13.287 1.00 0.00 H new ATOM 0 HB3 LEU A 51 3.724 1.089 -14.166 1.00 0.00 H new ATOM 0 HG LEU A 51 3.815 3.647 -15.563 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.195 3.542 -16.203 1.00 0.00 H new ATOM 0 HD12 LEU A 51 5.992 3.867 -14.465 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.451 2.239 -15.019 1.00 0.00 H new ATOM 0 HD21 LEU A 51 4.525 2.199 -17.424 1.00 0.00 H new ATOM 0 HD22 LEU A 51 4.716 0.841 -16.289 1.00 0.00 H new ATOM 0 HD23 LEU A 51 3.104 1.540 -16.578 1.00 0.00 H new ATOM 768 N LYS A 52 3.236 5.057 -12.875 1.00 0.00 N ATOM 769 CA LYS A 52 3.300 6.507 -13.026 1.00 0.00 C ATOM 770 C LYS A 52 4.713 7.017 -12.760 1.00 0.00 C ATOM 771 O LYS A 52 5.665 6.238 -12.708 1.00 0.00 O ATOM 772 CB LYS A 52 2.319 7.187 -12.067 1.00 0.00 C ATOM 773 CG LYS A 52 0.942 6.543 -12.036 1.00 0.00 C ATOM 774 CD LYS A 52 0.078 7.136 -10.934 1.00 0.00 C ATOM 775 CE LYS A 52 -0.872 6.102 -10.351 1.00 0.00 C ATOM 776 NZ LYS A 52 -2.220 6.171 -10.975 1.00 0.00 N ATOM 0 H LYS A 52 3.710 4.700 -12.046 1.00 0.00 H new ATOM 0 HA LYS A 52 3.026 6.751 -14.052 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.739 7.172 -11.061 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.214 8.234 -12.352 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.452 6.682 -13.000 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.044 5.469 -11.882 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.716 7.532 -10.144 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.495 7.974 -11.331 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.456 5.105 -10.496 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.962 6.257 -9.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.837 5.450 -10.549 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.629 7.114 -10.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -2.139 5.997 -11.997 1.00 0.00 H new ATOM 790 N LYS A 53 4.841 8.328 -12.582 1.00 0.00 N ATOM 791 CA LYS A 53 6.132 8.941 -12.297 1.00 0.00 C ATOM 792 C LYS A 53 6.425 8.896 -10.801 1.00 0.00 C ATOM 793 O LYS A 53 6.841 9.892 -10.207 1.00 0.00 O ATOM 794 CB LYS A 53 6.154 10.388 -12.794 1.00 0.00 C ATOM 795 CG LYS A 53 6.837 10.562 -14.140 1.00 0.00 C ATOM 796 CD LYS A 53 6.705 11.988 -14.652 1.00 0.00 C ATOM 797 CE LYS A 53 6.924 12.065 -16.154 1.00 0.00 C ATOM 798 NZ LYS A 53 6.053 11.110 -16.893 1.00 0.00 N ATOM 0 H LYS A 53 4.064 8.987 -12.630 1.00 0.00 H new ATOM 0 HA LYS A 53 6.904 8.378 -12.821 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.130 10.753 -12.867 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.662 11.009 -12.056 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.892 10.303 -14.050 1.00 0.00 H new ATOM 0 HG3 LYS A 53 6.400 9.873 -14.863 1.00 0.00 H new ATOM 0 HD2 LYS A 53 5.715 12.373 -14.408 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.429 12.626 -14.145 1.00 0.00 H new ATOM 0 HE2 LYS A 53 6.724 13.080 -16.498 1.00 0.00 H new ATOM 0 HE3 LYS A 53 7.969 11.852 -16.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 5.737 11.546 -17.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.588 10.243 -17.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 5.225 10.873 -16.310 1.00 0.00 H new ATOM 812 N GLY A 54 6.190 7.736 -10.197 1.00 0.00 N ATOM 813 CA GLY A 54 6.413 7.576 -8.773 1.00 0.00 C ATOM 814 C GLY A 54 5.404 6.637 -8.142 1.00 0.00 C ATOM 815 O GLY A 54 4.251 7.009 -7.926 1.00 0.00 O ATOM 0 H GLY A 54 5.847 6.901 -10.671 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.419 7.193 -8.604 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.357 8.549 -8.286 1.00 0.00 H new ATOM 819 N GLU A 55 5.834 5.410 -7.867 1.00 0.00 N ATOM 820 CA GLU A 55 4.955 4.408 -7.278 1.00 0.00 C ATOM 821 C GLU A 55 5.515 3.890 -5.963 1.00 0.00 C ATOM 822 O GLU A 55 6.710 4.006 -5.695 1.00 0.00 O ATOM 823 CB GLU A 55 4.754 3.248 -8.250 1.00 0.00 C ATOM 824 CG GLU A 55 3.660 2.280 -7.836 1.00 0.00 C ATOM 825 CD GLU A 55 2.469 2.318 -8.774 1.00 0.00 C ATOM 826 OE1 GLU A 55 2.158 3.410 -9.295 1.00 0.00 O ATOM 827 OE2 GLU A 55 1.847 1.257 -8.987 1.00 0.00 O ATOM 0 H GLU A 55 6.785 5.086 -8.043 1.00 0.00 H new ATOM 0 HA GLU A 55 3.994 4.881 -7.077 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.516 3.650 -9.235 1.00 0.00 H new ATOM 0 HB3 GLU A 55 5.692 2.701 -8.346 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.065 1.268 -7.808 1.00 0.00 H new ATOM 0 HG3 GLU A 55 3.330 2.519 -6.825 1.00 0.00 H new ATOM 834 N ILE A 56 4.630 3.336 -5.142 1.00 0.00 N ATOM 835 CA ILE A 56 5.003 2.800 -3.838 1.00 0.00 C ATOM 836 C ILE A 56 3.944 1.807 -3.348 1.00 0.00 C ATOM 837 O ILE A 56 2.781 1.873 -3.746 1.00 0.00 O ATOM 838 CB ILE A 56 5.183 3.935 -2.793 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.591 4.532 -2.885 1.00 0.00 C ATOM 840 CG2 ILE A 56 4.922 3.435 -1.379 1.00 0.00 C ATOM 841 CD1 ILE A 56 6.788 5.764 -2.027 1.00 0.00 C ATOM 0 H ILE A 56 3.638 3.246 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 56 5.956 2.284 -3.951 1.00 0.00 H new ATOM 0 HB ILE A 56 4.451 4.710 -3.020 1.00 0.00 H new ATOM 0 HG12 ILE A 56 7.317 3.775 -2.589 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.801 4.786 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 56 5.057 4.254 -0.673 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.901 3.059 -1.309 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.621 2.633 -1.142 1.00 0.00 H new ATOM 0 HD11 ILE A 56 7.808 6.130 -2.144 1.00 0.00 H new ATOM 0 HD12 ILE A 56 6.087 6.539 -2.337 1.00 0.00 H new ATOM 0 HD13 ILE A 56 6.611 5.511 -0.982 1.00 0.00 H new ATOM 853 N LEU A 57 4.353 0.876 -2.499 1.00 0.00 N ATOM 854 CA LEU A 57 3.426 -0.097 -1.942 1.00 0.00 C ATOM 855 C LEU A 57 3.727 -0.353 -0.494 1.00 0.00 C ATOM 856 O LEU A 57 4.868 -0.222 -0.048 1.00 0.00 O ATOM 857 CB LEU A 57 3.510 -1.421 -2.682 1.00 0.00 C ATOM 858 CG LEU A 57 2.192 -2.185 -2.801 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.337 -1.597 -3.910 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.452 -3.663 -3.054 1.00 0.00 C ATOM 0 H LEU A 57 5.317 0.774 -2.182 1.00 0.00 H new ATOM 0 HA LEU A 57 2.425 0.321 -2.048 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.895 -1.235 -3.685 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.236 -2.057 -2.175 1.00 0.00 H new ATOM 0 HG LEU A 57 1.651 -2.088 -1.860 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.402 -2.152 -3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.122 -0.552 -3.688 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.873 -1.664 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.502 -4.191 -3.136 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.013 -3.780 -3.981 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.027 -4.078 -2.227 1.00 0.00 H new ATOM 872 N GLU A 58 2.711 -0.768 0.230 1.00 0.00 N ATOM 873 CA GLU A 58 2.893 -1.122 1.610 1.00 0.00 C ATOM 874 C GLU A 58 2.045 -2.335 1.959 1.00 0.00 C ATOM 875 O GLU A 58 0.817 -2.268 1.954 1.00 0.00 O ATOM 876 CB GLU A 58 2.552 0.058 2.527 1.00 0.00 C ATOM 877 CG GLU A 58 2.862 1.420 1.920 1.00 0.00 C ATOM 878 CD GLU A 58 2.279 2.566 2.726 1.00 0.00 C ATOM 879 OE1 GLU A 58 2.223 2.449 3.969 1.00 0.00 O ATOM 880 OE2 GLU A 58 1.880 3.579 2.115 1.00 0.00 O ATOM 0 H GLU A 58 1.757 -0.867 -0.117 1.00 0.00 H new ATOM 0 HA GLU A 58 3.942 -1.375 1.764 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.492 0.016 2.778 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.105 -0.048 3.460 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.943 1.544 1.849 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.469 1.459 0.904 1.00 0.00 H new ATOM 887 N VAL A 59 2.706 -3.452 2.231 1.00 0.00 N ATOM 888 CA VAL A 59 2.010 -4.695 2.529 1.00 0.00 C ATOM 889 C VAL A 59 2.327 -5.197 3.932 1.00 0.00 C ATOM 890 O VAL A 59 3.484 -5.431 4.276 1.00 0.00 O ATOM 891 CB VAL A 59 2.373 -5.796 1.519 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.587 -7.064 1.813 1.00 0.00 C ATOM 893 CG2 VAL A 59 2.120 -5.321 0.096 1.00 0.00 C ATOM 0 H VAL A 59 3.723 -3.522 2.251 1.00 0.00 H new ATOM 0 HA VAL A 59 0.945 -4.474 2.461 1.00 0.00 H new ATOM 0 HB VAL A 59 3.435 -6.021 1.617 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.855 -7.834 1.090 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.822 -7.413 2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.520 -6.855 1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 59 2.383 -6.114 -0.604 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.066 -5.068 -0.021 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.729 -4.440 -0.107 1.00 0.00 H new ATOM 903 N VAL A 60 1.280 -5.381 4.728 1.00 0.00 N ATOM 904 CA VAL A 60 1.420 -5.904 6.079 1.00 0.00 C ATOM 905 C VAL A 60 0.514 -7.116 6.260 1.00 0.00 C ATOM 906 O VAL A 60 -0.662 -6.985 6.596 1.00 0.00 O ATOM 907 CB VAL A 60 1.082 -4.839 7.140 1.00 0.00 C ATOM 908 CG1 VAL A 60 1.154 -5.428 8.541 1.00 0.00 C ATOM 909 CG2 VAL A 60 2.018 -3.647 7.008 1.00 0.00 C ATOM 0 H VAL A 60 0.319 -5.174 4.457 1.00 0.00 H new ATOM 0 HA VAL A 60 2.461 -6.196 6.217 1.00 0.00 H new ATOM 0 HB VAL A 60 0.061 -4.498 6.972 1.00 0.00 H new ATOM 0 HG11 VAL A 60 0.912 -4.657 9.273 1.00 0.00 H new ATOM 0 HG12 VAL A 60 0.441 -6.248 8.628 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.161 -5.801 8.727 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.768 -2.902 7.764 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.048 -3.976 7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 60 1.910 -3.208 6.016 1.00 0.00 H new ATOM 919 N SER A 61 1.053 -8.295 5.977 1.00 0.00 N ATOM 920 CA SER A 61 0.277 -9.521 6.067 1.00 0.00 C ATOM 921 C SER A 61 0.966 -10.552 6.949 1.00 0.00 C ATOM 922 O SER A 61 2.166 -10.463 7.208 1.00 0.00 O ATOM 923 CB SER A 61 0.049 -10.104 4.672 1.00 0.00 C ATOM 924 OG SER A 61 1.164 -9.864 3.831 1.00 0.00 O ATOM 0 H SER A 61 2.021 -8.426 5.684 1.00 0.00 H new ATOM 0 HA SER A 61 -0.683 -9.274 6.520 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.130 -11.177 4.747 1.00 0.00 H new ATOM 0 HB3 SER A 61 -0.845 -9.662 4.231 1.00 0.00 H new ATOM 0 HG SER A 61 0.994 -10.248 2.945 1.00 0.00 H new ATOM 930 N ASP A 62 0.203 -11.547 7.381 1.00 0.00 N ATOM 931 CA ASP A 62 0.736 -12.607 8.227 1.00 0.00 C ATOM 932 C ASP A 62 0.620 -13.961 7.533 1.00 0.00 C ATOM 933 O ASP A 62 -0.430 -14.303 6.993 1.00 0.00 O ATOM 934 CB ASP A 62 -0.002 -12.643 9.566 1.00 0.00 C ATOM 935 CG ASP A 62 -1.508 -12.594 9.396 1.00 0.00 C ATOM 936 OD1 ASP A 62 -2.117 -13.666 9.193 1.00 0.00 O ATOM 937 OD2 ASP A 62 -2.079 -11.486 9.465 1.00 0.00 O ATOM 0 H ASP A 62 -0.788 -11.643 7.159 1.00 0.00 H new ATOM 0 HA ASP A 62 1.790 -12.398 8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.271 -13.551 10.104 1.00 0.00 H new ATOM 0 HB3 ASP A 62 0.320 -11.800 10.178 1.00 0.00 H new ATOM 942 N CYS A 63 1.712 -14.720 7.539 1.00 0.00 N ATOM 943 CA CYS A 63 1.732 -16.032 6.902 1.00 0.00 C ATOM 944 C CYS A 63 2.653 -16.992 7.651 1.00 0.00 C ATOM 945 O CYS A 63 3.710 -16.595 8.140 1.00 0.00 O ATOM 946 CB CYS A 63 2.186 -15.906 5.445 1.00 0.00 C ATOM 947 SG CYS A 63 0.946 -16.429 4.239 1.00 0.00 S ATOM 0 H CYS A 63 2.593 -14.449 7.977 1.00 0.00 H new ATOM 0 HA CYS A 63 0.720 -16.435 6.930 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.454 -14.868 5.248 1.00 0.00 H new ATOM 0 HB3 CYS A 63 3.088 -16.501 5.304 1.00 0.00 H new ATOM 0 HG CYS A 63 0.049 -15.497 4.107 1.00 0.00 H new ATOM 953 N PRO A 64 2.264 -18.278 7.749 1.00 0.00 N ATOM 954 CA PRO A 64 3.066 -19.293 8.440 1.00 0.00 C ATOM 955 C PRO A 64 4.331 -19.650 7.667 1.00 0.00 C ATOM 956 O PRO A 64 5.319 -20.098 8.248 1.00 0.00 O ATOM 957 CB PRO A 64 2.126 -20.498 8.514 1.00 0.00 C ATOM 958 CG PRO A 64 1.201 -20.325 7.358 1.00 0.00 C ATOM 959 CD PRO A 64 1.019 -18.841 7.191 1.00 0.00 C ATOM 0 HA PRO A 64 3.413 -18.948 9.414 1.00 0.00 H new ATOM 0 HB2 PRO A 64 2.677 -21.436 8.444 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.581 -20.518 9.458 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.618 -20.771 6.455 1.00 0.00 H new ATOM 0 HG3 PRO A 64 0.246 -20.817 7.545 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.888 -18.568 6.144 1.00 0.00 H new ATOM 0 HD3 PRO A 64 0.140 -18.481 7.726 1.00 0.00 H new ATOM 967 N GLN A 65 4.291 -19.444 6.354 1.00 0.00 N ATOM 968 CA GLN A 65 5.435 -19.737 5.497 1.00 0.00 C ATOM 969 C GLN A 65 6.424 -18.575 5.499 1.00 0.00 C ATOM 970 O GLN A 65 6.378 -17.709 6.373 1.00 0.00 O ATOM 971 CB GLN A 65 4.967 -20.022 4.068 1.00 0.00 C ATOM 972 CG GLN A 65 3.751 -20.929 3.994 1.00 0.00 C ATOM 973 CD GLN A 65 3.578 -21.561 2.627 1.00 0.00 C ATOM 974 OE1 GLN A 65 3.867 -22.743 2.436 1.00 0.00 O ATOM 975 NE2 GLN A 65 3.103 -20.776 1.667 1.00 0.00 N ATOM 0 H GLN A 65 3.478 -19.075 5.860 1.00 0.00 H new ATOM 0 HA GLN A 65 5.938 -20.621 5.890 1.00 0.00 H new ATOM 0 HB2 GLN A 65 4.735 -19.078 3.576 1.00 0.00 H new ATOM 0 HB3 GLN A 65 5.785 -20.479 3.511 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.842 -21.714 4.744 1.00 0.00 H new ATOM 0 HG3 GLN A 65 2.858 -20.354 4.240 1.00 0.00 H new ATOM 0 HE21 GLN A 65 2.877 -19.802 1.870 1.00 0.00 H new ATOM 0 HE22 GLN A 65 2.964 -21.147 0.727 1.00 0.00 H new ATOM 984 N SER A 66 7.318 -18.561 4.515 1.00 0.00 N ATOM 985 CA SER A 66 8.317 -17.506 4.404 1.00 0.00 C ATOM 986 C SER A 66 8.174 -16.755 3.085 1.00 0.00 C ATOM 987 O SER A 66 8.572 -15.595 2.973 1.00 0.00 O ATOM 988 CB SER A 66 9.723 -18.096 4.517 1.00 0.00 C ATOM 989 OG SER A 66 10.690 -17.080 4.723 1.00 0.00 O ATOM 0 H SER A 66 7.370 -19.269 3.783 1.00 0.00 H new ATOM 0 HA SER A 66 8.157 -16.801 5.220 1.00 0.00 H new ATOM 0 HB2 SER A 66 9.757 -18.807 5.343 1.00 0.00 H new ATOM 0 HB3 SER A 66 9.962 -18.650 3.609 1.00 0.00 H new ATOM 0 HG SER A 66 11.580 -17.485 4.793 1.00 0.00 H new ATOM 995 N ILE A 67 7.601 -17.426 2.091 1.00 0.00 N ATOM 996 CA ILE A 67 7.407 -16.830 0.774 1.00 0.00 C ATOM 997 C ILE A 67 6.499 -15.606 0.850 1.00 0.00 C ATOM 998 O ILE A 67 5.492 -15.609 1.559 1.00 0.00 O ATOM 999 CB ILE A 67 6.800 -17.844 -0.214 1.00 0.00 C ATOM 1000 CG1 ILE A 67 7.568 -19.167 -0.157 1.00 0.00 C ATOM 1001 CG2 ILE A 67 6.811 -17.283 -1.629 1.00 0.00 C ATOM 1002 CD1 ILE A 67 6.674 -20.379 -0.004 1.00 0.00 C ATOM 0 H ILE A 67 7.262 -18.385 2.173 1.00 0.00 H new ATOM 0 HA ILE A 67 8.391 -16.526 0.416 1.00 0.00 H new ATOM 0 HB ILE A 67 5.765 -18.030 0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 67 8.159 -19.274 -1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 67 8.269 -19.135 0.677 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.379 -18.013 -2.313 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.225 -16.364 -1.661 1.00 0.00 H new ATOM 0 HG23 ILE A 67 7.837 -17.069 -1.928 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.286 -21.281 0.029 1.00 0.00 H new ATOM 0 HD12 ILE A 67 6.102 -20.295 0.920 1.00 0.00 H new ATOM 0 HD13 ILE A 67 5.990 -20.436 -0.851 1.00 0.00 H new ATOM 1014 N ASN A 68 6.864 -14.560 0.112 1.00 0.00 N ATOM 1015 CA ASN A 68 6.085 -13.328 0.090 1.00 0.00 C ATOM 1016 C ASN A 68 5.009 -13.388 -0.991 1.00 0.00 C ATOM 1017 O ASN A 68 5.297 -13.685 -2.150 1.00 0.00 O ATOM 1018 CB ASN A 68 7.002 -12.128 -0.149 1.00 0.00 C ATOM 1019 CG ASN A 68 8.405 -12.359 0.375 1.00 0.00 C ATOM 1020 OD1 ASN A 68 9.307 -12.734 -0.374 1.00 0.00 O ATOM 1021 ND2 ASN A 68 8.596 -12.137 1.671 1.00 0.00 N ATOM 0 H ASN A 68 7.695 -14.543 -0.479 1.00 0.00 H new ATOM 0 HA ASN A 68 5.596 -13.215 1.058 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.047 -11.915 -1.217 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.577 -11.248 0.334 1.00 0.00 H new ATOM 0 HD21 ASN A 68 9.519 -12.277 2.082 1.00 0.00 H new ATOM 0 HD22 ASN A 68 7.820 -11.827 2.255 1.00 0.00 H new ATOM 1028 N ASN A 69 3.767 -13.122 -0.598 1.00 0.00 N ATOM 1029 CA ASN A 69 2.642 -13.171 -1.525 1.00 0.00 C ATOM 1030 C ASN A 69 2.652 -11.992 -2.498 1.00 0.00 C ATOM 1031 O ASN A 69 2.960 -12.155 -3.681 1.00 0.00 O ATOM 1032 CB ASN A 69 1.323 -13.188 -0.750 1.00 0.00 C ATOM 1033 CG ASN A 69 0.121 -13.348 -1.659 1.00 0.00 C ATOM 1034 OD1 ASN A 69 0.099 -14.217 -2.532 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -0.887 -12.506 -1.463 1.00 0.00 N ATOM 0 H ASN A 69 3.514 -12.870 0.358 1.00 0.00 H new ATOM 0 HA ASN A 69 2.739 -14.087 -2.108 1.00 0.00 H new ATOM 0 HB2 ASN A 69 1.340 -14.004 -0.027 1.00 0.00 H new ATOM 0 HB3 ASN A 69 1.226 -12.262 -0.183 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -1.721 -12.564 -2.047 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -0.827 -11.801 -0.728 1.00 0.00 H new ATOM 1042 N ILE A 70 2.279 -10.815 -2.000 1.00 0.00 N ATOM 1043 CA ILE A 70 2.194 -9.617 -2.834 1.00 0.00 C ATOM 1044 C ILE A 70 3.471 -9.384 -3.651 1.00 0.00 C ATOM 1045 O ILE A 70 3.400 -9.200 -4.866 1.00 0.00 O ATOM 1046 CB ILE A 70 1.876 -8.353 -2.003 1.00 0.00 C ATOM 1047 CG1 ILE A 70 0.831 -8.657 -0.922 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.388 -7.230 -2.909 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -0.437 -9.295 -1.451 1.00 0.00 C ATOM 0 H ILE A 70 2.030 -10.665 -1.022 1.00 0.00 H new ATOM 0 HA ILE A 70 1.371 -9.798 -3.525 1.00 0.00 H new ATOM 0 HB ILE A 70 2.794 -8.032 -1.510 1.00 0.00 H new ATOM 0 HG12 ILE A 70 1.275 -9.319 -0.178 1.00 0.00 H new ATOM 0 HG13 ILE A 70 0.573 -7.730 -0.410 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.168 -6.347 -2.308 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.161 -6.989 -3.639 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.485 -7.549 -3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -1.124 -9.478 -0.625 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.907 -8.627 -2.173 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -0.194 -10.240 -1.937 1.00 0.00 H new ATOM 1061 N PRO A 71 4.660 -9.380 -3.009 1.00 0.00 N ATOM 1062 CA PRO A 71 5.929 -9.150 -3.713 1.00 0.00 C ATOM 1063 C PRO A 71 6.149 -10.129 -4.860 1.00 0.00 C ATOM 1064 O PRO A 71 6.752 -9.781 -5.875 1.00 0.00 O ATOM 1065 CB PRO A 71 6.988 -9.359 -2.629 1.00 0.00 C ATOM 1066 CG PRO A 71 6.274 -9.093 -1.352 1.00 0.00 C ATOM 1067 CD PRO A 71 4.868 -9.578 -1.562 1.00 0.00 C ATOM 0 HA PRO A 71 5.958 -8.162 -4.172 1.00 0.00 H new ATOM 0 HB2 PRO A 71 7.388 -10.372 -2.656 1.00 0.00 H new ATOM 0 HB3 PRO A 71 7.830 -8.680 -2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 71 6.749 -9.616 -0.522 1.00 0.00 H new ATOM 0 HG3 PRO A 71 6.289 -8.030 -1.109 1.00 0.00 H new ATOM 0 HD2 PRO A 71 4.756 -10.624 -1.278 1.00 0.00 H new ATOM 0 HD3 PRO A 71 4.152 -9.008 -0.970 1.00 0.00 H new ATOM 1075 N LEU A 72 5.666 -11.355 -4.691 1.00 0.00 N ATOM 1076 CA LEU A 72 5.817 -12.381 -5.715 1.00 0.00 C ATOM 1077 C LEU A 72 5.132 -11.960 -7.010 1.00 0.00 C ATOM 1078 O LEU A 72 5.621 -12.243 -8.104 1.00 0.00 O ATOM 1079 CB LEU A 72 5.240 -13.710 -5.226 1.00 0.00 C ATOM 1080 CG LEU A 72 5.741 -14.946 -5.975 1.00 0.00 C ATOM 1081 CD1 LEU A 72 6.467 -15.886 -5.025 1.00 0.00 C ATOM 1082 CD2 LEU A 72 4.584 -15.659 -6.656 1.00 0.00 C ATOM 0 H LEU A 72 5.167 -11.662 -3.856 1.00 0.00 H new ATOM 0 HA LEU A 72 6.881 -12.508 -5.913 1.00 0.00 H new ATOM 0 HB2 LEU A 72 5.476 -13.824 -4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 72 4.154 -13.669 -5.308 1.00 0.00 H new ATOM 0 HG LEU A 72 6.445 -14.625 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 72 6.817 -16.760 -5.575 1.00 0.00 H new ATOM 0 HD12 LEU A 72 7.320 -15.370 -4.583 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.786 -16.203 -4.235 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.958 -16.536 -7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 72 3.856 -15.970 -5.906 1.00 0.00 H new ATOM 0 HD23 LEU A 72 4.108 -14.983 -7.366 1.00 0.00 H new ATOM 1094 N ASP A 73 3.999 -11.278 -6.877 1.00 0.00 N ATOM 1095 CA ASP A 73 3.246 -10.814 -8.036 1.00 0.00 C ATOM 1096 C ASP A 73 4.052 -9.800 -8.843 1.00 0.00 C ATOM 1097 O ASP A 73 4.299 -9.994 -10.033 1.00 0.00 O ATOM 1098 CB ASP A 73 1.921 -10.192 -7.592 1.00 0.00 C ATOM 1099 CG ASP A 73 0.769 -11.175 -7.653 1.00 0.00 C ATOM 1100 OD1 ASP A 73 0.972 -12.350 -7.281 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.336 -10.771 -8.070 1.00 0.00 O ATOM 0 H ASP A 73 3.582 -11.035 -5.978 1.00 0.00 H new ATOM 0 HA ASP A 73 3.042 -11.675 -8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 73 2.022 -9.819 -6.573 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.696 -9.334 -8.225 1.00 0.00 H new ATOM 1106 N ALA A 74 4.462 -8.718 -8.185 1.00 0.00 N ATOM 1107 CA ALA A 74 5.237 -7.670 -8.840 1.00 0.00 C ATOM 1108 C ALA A 74 6.555 -8.212 -9.380 1.00 0.00 C ATOM 1109 O ALA A 74 7.030 -7.780 -10.429 1.00 0.00 O ATOM 1110 CB ALA A 74 5.489 -6.523 -7.876 1.00 0.00 C ATOM 0 H ALA A 74 4.270 -8.545 -7.198 1.00 0.00 H new ATOM 0 HA ALA A 74 4.658 -7.300 -9.686 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.068 -5.747 -8.377 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.536 -6.109 -7.547 1.00 0.00 H new ATOM 0 HB3 ALA A 74 6.044 -6.889 -7.012 1.00 0.00 H new ATOM 1116 N ARG A 75 7.142 -9.160 -8.657 1.00 0.00 N ATOM 1117 CA ARG A 75 8.404 -9.765 -9.067 1.00 0.00 C ATOM 1118 C ARG A 75 8.238 -10.528 -10.378 1.00 0.00 C ATOM 1119 O ARG A 75 9.142 -10.549 -11.213 1.00 0.00 O ATOM 1120 CB ARG A 75 8.923 -10.704 -7.977 1.00 0.00 C ATOM 1121 CG ARG A 75 9.795 -10.014 -6.941 1.00 0.00 C ATOM 1122 CD ARG A 75 11.256 -10.402 -7.091 1.00 0.00 C ATOM 1123 NE ARG A 75 11.507 -11.773 -6.656 1.00 0.00 N ATOM 1124 CZ ARG A 75 11.793 -12.771 -7.487 1.00 0.00 C ATOM 1125 NH1 ARG A 75 11.863 -12.551 -8.793 1.00 0.00 N ATOM 1126 NH2 ARG A 75 12.007 -13.990 -7.013 1.00 0.00 N ATOM 0 H ARG A 75 6.764 -9.526 -7.783 1.00 0.00 H new ATOM 0 HA ARG A 75 9.129 -8.966 -9.221 1.00 0.00 H new ATOM 0 HB2 ARG A 75 8.074 -11.167 -7.474 1.00 0.00 H new ATOM 0 HB3 ARG A 75 9.494 -11.507 -8.443 1.00 0.00 H new ATOM 0 HG2 ARG A 75 9.693 -8.933 -7.041 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.449 -10.276 -5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 75 11.555 -10.292 -8.134 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.874 -9.718 -6.509 1.00 0.00 H new ATOM 0 HE ARG A 75 11.460 -11.977 -5.658 1.00 0.00 H new ATOM 0 HH11 ARG A 75 11.697 -11.615 -9.162 1.00 0.00 H new ATOM 0 HH12 ARG A 75 12.083 -13.318 -9.428 1.00 0.00 H new ATOM 0 HH21 ARG A 75 11.952 -14.164 -6.009 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.226 -14.754 -7.652 1.00 0.00 H new ATOM 1140 N ASN A 76 7.075 -11.151 -10.552 1.00 0.00 N ATOM 1141 CA ASN A 76 6.786 -11.912 -11.762 1.00 0.00 C ATOM 1142 C ASN A 76 6.882 -11.021 -12.998 1.00 0.00 C ATOM 1143 O ASN A 76 7.744 -11.220 -13.853 1.00 0.00 O ATOM 1144 CB ASN A 76 5.393 -12.536 -11.677 1.00 0.00 C ATOM 1145 CG ASN A 76 5.230 -13.719 -12.611 1.00 0.00 C ATOM 1146 OD1 ASN A 76 4.981 -13.553 -13.805 1.00 0.00 O ATOM 1147 ND2 ASN A 76 5.372 -14.924 -12.070 1.00 0.00 N ATOM 0 H ASN A 76 6.318 -11.143 -9.869 1.00 0.00 H new ATOM 0 HA ASN A 76 7.527 -12.707 -11.848 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.204 -12.857 -10.653 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.645 -11.781 -11.918 1.00 0.00 H new ATOM 0 HD21 ASN A 76 5.275 -15.758 -12.649 1.00 0.00 H new ATOM 0 HD22 ASN A 76 5.578 -15.015 -11.075 1.00 0.00 H new ATOM 1154 N HIS A 77 5.993 -10.035 -13.079 1.00 0.00 N ATOM 1155 CA HIS A 77 5.984 -9.104 -14.201 1.00 0.00 C ATOM 1156 C HIS A 77 7.258 -8.267 -14.216 1.00 0.00 C ATOM 1157 O HIS A 77 7.696 -7.799 -15.267 1.00 0.00 O ATOM 1158 CB HIS A 77 4.759 -8.190 -14.121 1.00 0.00 C ATOM 1159 CG HIS A 77 3.686 -8.531 -15.108 1.00 0.00 C ATOM 1160 ND1 HIS A 77 2.850 -7.566 -15.616 1.00 0.00 N ATOM 1161 CD2 HIS A 77 3.351 -9.733 -15.641 1.00 0.00 C ATOM 1162 CE1 HIS A 77 2.032 -8.194 -16.443 1.00 0.00 C ATOM 1163 NE2 HIS A 77 2.300 -9.507 -16.490 1.00 0.00 N ATOM 0 H HIS A 77 5.270 -9.861 -12.381 1.00 0.00 H new ATOM 0 HA HIS A 77 5.937 -9.681 -15.124 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.344 -8.242 -13.115 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.075 -7.159 -14.283 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.822 -10.683 -15.436 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.248 -7.711 -17.008 1.00 0.00 H new ATOM 0 HE2 HIS A 77 1.813 -10.206 -17.052 1.00 0.00 H new ATOM 1171 N GLY A 78 7.846 -8.084 -13.038 1.00 0.00 N ATOM 1172 CA GLY A 78 9.072 -7.318 -12.926 1.00 0.00 C ATOM 1173 C GLY A 78 8.828 -5.827 -12.801 1.00 0.00 C ATOM 1174 O GLY A 78 8.700 -5.125 -13.804 1.00 0.00 O ATOM 0 H GLY A 78 7.493 -8.455 -12.156 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.632 -7.663 -12.057 1.00 0.00 H new ATOM 0 HA3 GLY A 78 9.694 -7.507 -13.801 1.00 0.00 H new ATOM 1178 N TYR A 79 8.780 -5.340 -11.564 1.00 0.00 N ATOM 1179 CA TYR A 79 8.577 -3.918 -11.309 1.00 0.00 C ATOM 1180 C TYR A 79 9.920 -3.201 -11.192 1.00 0.00 C ATOM 1181 O TYR A 79 10.923 -3.658 -11.740 1.00 0.00 O ATOM 1182 CB TYR A 79 7.751 -3.716 -10.034 1.00 0.00 C ATOM 1183 CG TYR A 79 6.585 -2.769 -10.213 1.00 0.00 C ATOM 1184 CD1 TYR A 79 6.787 -1.461 -10.634 1.00 0.00 C ATOM 1185 CD2 TYR A 79 5.284 -3.183 -9.956 1.00 0.00 C ATOM 1186 CE1 TYR A 79 5.726 -0.592 -10.798 1.00 0.00 C ATOM 1187 CE2 TYR A 79 4.217 -2.319 -10.116 1.00 0.00 C ATOM 1188 CZ TYR A 79 4.443 -1.026 -10.538 1.00 0.00 C ATOM 1189 OH TYR A 79 3.385 -0.163 -10.698 1.00 0.00 O ATOM 0 H TYR A 79 8.879 -5.909 -10.723 1.00 0.00 H new ATOM 0 HA TYR A 79 8.028 -3.491 -12.148 1.00 0.00 H new ATOM 0 HB2 TYR A 79 7.375 -4.682 -9.697 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.401 -3.335 -9.246 1.00 0.00 H new ATOM 0 HD1 TYR A 79 7.791 -1.118 -10.837 1.00 0.00 H new ATOM 0 HD2 TYR A 79 5.104 -4.195 -9.626 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.900 0.422 -11.128 1.00 0.00 H new ATOM 0 HE2 TYR A 79 3.211 -2.655 -9.911 1.00 0.00 H new ATOM 0 HH TYR A 79 2.997 0.044 -9.822 1.00 0.00 H new ATOM 1199 N THR A 80 9.938 -2.079 -10.479 1.00 0.00 N ATOM 1200 CA THR A 80 11.165 -1.310 -10.304 1.00 0.00 C ATOM 1201 C THR A 80 11.919 -1.758 -9.055 1.00 0.00 C ATOM 1202 O THR A 80 13.031 -2.275 -9.146 1.00 0.00 O ATOM 1203 CB THR A 80 10.847 0.184 -10.214 1.00 0.00 C ATOM 1204 OG1 THR A 80 9.671 0.489 -10.943 1.00 0.00 O ATOM 1205 CG2 THR A 80 11.957 1.066 -10.741 1.00 0.00 C ATOM 0 H THR A 80 9.120 -1.683 -10.015 1.00 0.00 H new ATOM 0 HA THR A 80 11.801 -1.488 -11.171 1.00 0.00 H new ATOM 0 HB THR A 80 10.718 0.389 -9.151 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.886 0.558 -11.897 1.00 0.00 H new ATOM 0 HG21 THR A 80 11.666 2.112 -10.647 1.00 0.00 H new ATOM 0 HG22 THR A 80 12.866 0.889 -10.166 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.140 0.833 -11.790 1.00 0.00 H new ATOM 1213 N VAL A 81 11.309 -1.550 -7.891 1.00 0.00 N ATOM 1214 CA VAL A 81 11.931 -1.929 -6.627 1.00 0.00 C ATOM 1215 C VAL A 81 11.018 -2.837 -5.809 1.00 0.00 C ATOM 1216 O VAL A 81 9.892 -2.469 -5.481 1.00 0.00 O ATOM 1217 CB VAL A 81 12.294 -0.693 -5.782 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.338 -1.050 -4.735 1.00 0.00 C ATOM 1219 CG2 VAL A 81 12.786 0.441 -6.670 1.00 0.00 C ATOM 0 H VAL A 81 10.388 -1.122 -7.798 1.00 0.00 H new ATOM 0 HA VAL A 81 12.844 -2.469 -6.879 1.00 0.00 H new ATOM 0 HB VAL A 81 11.395 -0.354 -5.267 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.582 -0.165 -4.148 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.944 -1.824 -4.077 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.238 -1.417 -5.229 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.037 1.304 -6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 81 13.671 0.117 -7.217 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.003 0.716 -7.377 1.00 0.00 H new ATOM 1229 N LEU A 82 11.521 -4.021 -5.477 1.00 0.00 N ATOM 1230 CA LEU A 82 10.767 -4.995 -4.696 1.00 0.00 C ATOM 1231 C LEU A 82 11.567 -5.448 -3.476 1.00 0.00 C ATOM 1232 O LEU A 82 12.508 -6.231 -3.598 1.00 0.00 O ATOM 1233 CB LEU A 82 10.416 -6.207 -5.566 1.00 0.00 C ATOM 1234 CG LEU A 82 8.925 -6.393 -5.860 1.00 0.00 C ATOM 1235 CD1 LEU A 82 8.167 -6.710 -4.580 1.00 0.00 C ATOM 1236 CD2 LEU A 82 8.351 -5.156 -6.533 1.00 0.00 C ATOM 0 H LEU A 82 12.457 -4.331 -5.740 1.00 0.00 H new ATOM 0 HA LEU A 82 9.848 -4.520 -4.351 1.00 0.00 H new ATOM 0 HB2 LEU A 82 10.948 -6.119 -6.513 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.787 -7.106 -5.074 1.00 0.00 H new ATOM 0 HG LEU A 82 8.812 -7.234 -6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.109 -6.839 -4.806 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.559 -7.628 -4.143 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.289 -5.890 -3.872 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.291 -5.310 -6.733 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.476 -4.294 -5.877 1.00 0.00 H new ATOM 0 HD23 LEU A 82 8.875 -4.976 -7.472 1.00 0.00 H new ATOM 1248 N ASP A 83 11.189 -4.949 -2.301 1.00 0.00 N ATOM 1249 CA ASP A 83 11.881 -5.300 -1.064 1.00 0.00 C ATOM 1250 C ASP A 83 10.899 -5.794 -0.006 1.00 0.00 C ATOM 1251 O ASP A 83 9.707 -5.500 -0.070 1.00 0.00 O ATOM 1252 CB ASP A 83 12.655 -4.094 -0.531 1.00 0.00 C ATOM 1253 CG ASP A 83 14.122 -4.403 -0.304 1.00 0.00 C ATOM 1254 OD1 ASP A 83 14.461 -4.897 0.792 1.00 0.00 O ATOM 1255 OD2 ASP A 83 14.931 -4.152 -1.222 1.00 0.00 O ATOM 0 H ASP A 83 10.410 -4.302 -2.180 1.00 0.00 H new ATOM 0 HA ASP A 83 12.580 -6.106 -1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.565 -3.268 -1.236 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.207 -3.763 0.406 1.00 0.00 H new ATOM 1260 N ILE A 84 11.408 -6.553 0.963 1.00 0.00 N ATOM 1261 CA ILE A 84 10.570 -7.082 2.037 1.00 0.00 C ATOM 1262 C ILE A 84 11.285 -7.022 3.386 1.00 0.00 C ATOM 1263 O ILE A 84 12.500 -6.829 3.451 1.00 0.00 O ATOM 1264 CB ILE A 84 10.138 -8.542 1.771 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.315 -9.509 1.972 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.552 -8.691 0.376 1.00 0.00 C ATOM 1267 CD1 ILE A 84 12.399 -9.393 0.920 1.00 0.00 C ATOM 0 H ILE A 84 12.392 -6.814 1.026 1.00 0.00 H new ATOM 0 HA ILE A 84 9.683 -6.449 2.065 1.00 0.00 H new ATOM 0 HB ILE A 84 9.362 -8.797 2.493 1.00 0.00 H new ATOM 0 HG12 ILE A 84 11.755 -9.329 2.953 1.00 0.00 H new ATOM 0 HG13 ILE A 84 10.935 -10.531 1.975 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.256 -9.728 0.214 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.680 -8.045 0.277 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.300 -8.407 -0.365 1.00 0.00 H new ATOM 0 HD11 ILE A 84 13.192 -10.109 1.135 1.00 0.00 H new ATOM 0 HD12 ILE A 84 11.976 -9.603 -0.063 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.809 -8.383 0.930 1.00 0.00 H new ATOM 1279 N GLN A 85 10.518 -7.206 4.456 1.00 0.00 N ATOM 1280 CA GLN A 85 11.061 -7.200 5.811 1.00 0.00 C ATOM 1281 C GLN A 85 10.175 -8.021 6.744 1.00 0.00 C ATOM 1282 O GLN A 85 8.992 -8.216 6.472 1.00 0.00 O ATOM 1283 CB GLN A 85 11.182 -5.766 6.331 1.00 0.00 C ATOM 1284 CG GLN A 85 12.175 -5.613 7.471 1.00 0.00 C ATOM 1285 CD GLN A 85 12.268 -4.186 7.976 1.00 0.00 C ATOM 1286 OE1 GLN A 85 12.117 -3.926 9.169 1.00 0.00 O ATOM 1287 NE2 GLN A 85 12.518 -3.252 7.066 1.00 0.00 N ATOM 0 H GLN A 85 9.511 -7.362 4.410 1.00 0.00 H new ATOM 0 HA GLN A 85 12.054 -7.649 5.785 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.482 -5.115 5.510 1.00 0.00 H new ATOM 0 HB3 GLN A 85 10.202 -5.426 6.666 1.00 0.00 H new ATOM 0 HG2 GLN A 85 11.883 -6.267 8.293 1.00 0.00 H new ATOM 0 HG3 GLN A 85 13.159 -5.941 7.137 1.00 0.00 H new ATOM 0 HE21 GLN A 85 12.636 -3.513 6.087 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.592 -2.274 7.346 1.00 0.00 H new ATOM 1296 N GLN A 86 10.750 -8.503 7.841 1.00 0.00 N ATOM 1297 CA GLN A 86 9.999 -9.298 8.807 1.00 0.00 C ATOM 1298 C GLN A 86 10.236 -8.800 10.228 1.00 0.00 C ATOM 1299 O GLN A 86 11.235 -8.136 10.505 1.00 0.00 O ATOM 1300 CB GLN A 86 10.385 -10.775 8.701 1.00 0.00 C ATOM 1301 CG GLN A 86 9.202 -11.722 8.823 1.00 0.00 C ATOM 1302 CD GLN A 86 9.479 -12.886 9.753 1.00 0.00 C ATOM 1303 OE1 GLN A 86 10.017 -12.708 10.846 1.00 0.00 O ATOM 1304 NE2 GLN A 86 9.109 -14.087 9.324 1.00 0.00 N ATOM 0 H GLN A 86 11.730 -8.358 8.083 1.00 0.00 H new ATOM 0 HA GLN A 86 8.939 -9.190 8.576 1.00 0.00 H new ATOM 0 HB2 GLN A 86 10.879 -10.945 7.745 1.00 0.00 H new ATOM 0 HB3 GLN A 86 11.110 -11.010 9.481 1.00 0.00 H new ATOM 0 HG2 GLN A 86 8.336 -11.170 9.187 1.00 0.00 H new ATOM 0 HG3 GLN A 86 8.944 -12.105 7.835 1.00 0.00 H new ATOM 0 HE21 GLN A 86 8.666 -14.188 8.411 1.00 0.00 H new ATOM 0 HE22 GLN A 86 9.268 -14.908 9.908 1.00 0.00 H new ATOM 1313 N ASP A 87 9.308 -9.122 11.125 1.00 0.00 N ATOM 1314 CA ASP A 87 9.417 -8.706 12.517 1.00 0.00 C ATOM 1315 C ASP A 87 9.357 -9.913 13.448 1.00 0.00 C ATOM 1316 O ASP A 87 10.385 -10.395 13.925 1.00 0.00 O ATOM 1317 CB ASP A 87 8.300 -7.720 12.865 1.00 0.00 C ATOM 1318 CG ASP A 87 8.761 -6.627 13.808 1.00 0.00 C ATOM 1319 OD1 ASP A 87 9.957 -6.267 13.761 1.00 0.00 O ATOM 1320 OD2 ASP A 87 7.928 -6.130 14.593 1.00 0.00 O ATOM 0 H ASP A 87 8.474 -9.669 10.912 1.00 0.00 H new ATOM 0 HA ASP A 87 10.380 -8.213 12.651 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.921 -7.268 11.949 1.00 0.00 H new ATOM 0 HB3 ASP A 87 7.471 -8.262 13.320 1.00 0.00 H new ATOM 1325 N GLY A 88 8.146 -10.400 13.696 1.00 0.00 N ATOM 1326 CA GLY A 88 7.970 -11.553 14.558 1.00 0.00 C ATOM 1327 C GLY A 88 6.906 -12.501 14.036 1.00 0.00 C ATOM 1328 O GLY A 88 7.166 -13.279 13.117 1.00 0.00 O ATOM 0 H GLY A 88 7.282 -10.016 13.314 1.00 0.00 H new ATOM 0 HA2 GLY A 88 8.917 -12.086 14.647 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.697 -11.218 15.559 1.00 0.00 H new ATOM 1332 N PRO A 89 5.682 -12.447 14.591 1.00 0.00 N ATOM 1333 CA PRO A 89 4.581 -13.308 14.159 1.00 0.00 C ATOM 1334 C PRO A 89 3.922 -12.807 12.879 1.00 0.00 C ATOM 1335 O PRO A 89 2.861 -13.292 12.485 1.00 0.00 O ATOM 1336 CB PRO A 89 3.603 -13.226 15.328 1.00 0.00 C ATOM 1337 CG PRO A 89 3.818 -11.867 15.898 1.00 0.00 C ATOM 1338 CD PRO A 89 5.277 -11.548 15.692 1.00 0.00 C ATOM 0 HA PRO A 89 4.915 -14.320 13.928 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.574 -13.359 14.995 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.801 -14.002 16.067 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.185 -11.132 15.400 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.561 -11.844 16.957 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.424 -10.501 15.428 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.859 -11.734 16.595 1.00 0.00 H new ATOM 1346 N THR A 90 4.552 -11.826 12.239 1.00 0.00 N ATOM 1347 CA THR A 90 4.021 -11.253 11.006 1.00 0.00 C ATOM 1348 C THR A 90 5.148 -10.849 10.064 1.00 0.00 C ATOM 1349 O THR A 90 6.328 -10.975 10.398 1.00 0.00 O ATOM 1350 CB THR A 90 3.147 -10.038 11.322 1.00 0.00 C ATOM 1351 OG1 THR A 90 3.742 -9.244 12.335 1.00 0.00 O ATOM 1352 CG2 THR A 90 1.753 -10.403 11.783 1.00 0.00 C ATOM 0 H THR A 90 5.430 -11.412 12.553 1.00 0.00 H new ATOM 0 HA THR A 90 3.415 -12.013 10.513 1.00 0.00 H new ATOM 0 HB THR A 90 3.067 -9.489 10.384 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.170 -8.471 12.523 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.188 -9.494 11.990 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.249 -10.974 11.003 1.00 0.00 H new ATOM 0 HG23 THR A 90 1.816 -11.005 12.690 1.00 0.00 H new ATOM 1360 N ILE A 91 4.776 -10.358 8.888 1.00 0.00 N ATOM 1361 CA ILE A 91 5.751 -9.933 7.892 1.00 0.00 C ATOM 1362 C ILE A 91 5.221 -8.749 7.085 1.00 0.00 C ATOM 1363 O ILE A 91 4.020 -8.646 6.835 1.00 0.00 O ATOM 1364 CB ILE A 91 6.111 -11.089 6.940 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.252 -10.671 6.008 1.00 0.00 C ATOM 1366 CG2 ILE A 91 4.887 -11.523 6.146 1.00 0.00 C ATOM 1367 CD1 ILE A 91 7.955 -11.835 5.343 1.00 0.00 C ATOM 0 H ILE A 91 3.804 -10.244 8.601 1.00 0.00 H new ATOM 0 HA ILE A 91 6.651 -9.626 8.424 1.00 0.00 H new ATOM 0 HB ILE A 91 6.449 -11.941 7.531 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.856 -10.010 5.237 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.982 -10.095 6.578 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.158 -12.341 5.478 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.108 -11.857 6.832 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.517 -10.682 5.559 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.750 -11.460 4.699 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.383 -12.486 6.106 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.239 -12.399 4.745 1.00 0.00 H new ATOM 1379 N ARG A 92 6.119 -7.850 6.696 1.00 0.00 N ATOM 1380 CA ARG A 92 5.732 -6.662 5.943 1.00 0.00 C ATOM 1381 C ARG A 92 6.698 -6.403 4.787 1.00 0.00 C ATOM 1382 O ARG A 92 7.912 -6.346 4.980 1.00 0.00 O ATOM 1383 CB ARG A 92 5.672 -5.448 6.884 1.00 0.00 C ATOM 1384 CG ARG A 92 6.139 -4.139 6.262 1.00 0.00 C ATOM 1385 CD ARG A 92 7.151 -3.434 7.151 1.00 0.00 C ATOM 1386 NE ARG A 92 7.863 -2.374 6.444 1.00 0.00 N ATOM 1387 CZ ARG A 92 7.559 -1.083 6.546 1.00 0.00 C ATOM 1388 NH1 ARG A 92 6.558 -0.694 7.325 1.00 0.00 N ATOM 1389 NH2 ARG A 92 8.257 -0.182 5.870 1.00 0.00 N ATOM 0 H ARG A 92 7.118 -7.921 6.889 1.00 0.00 H new ATOM 0 HA ARG A 92 4.744 -6.829 5.515 1.00 0.00 H new ATOM 0 HB2 ARG A 92 4.646 -5.324 7.231 1.00 0.00 H new ATOM 0 HB3 ARG A 92 6.283 -5.656 7.763 1.00 0.00 H new ATOM 0 HG2 ARG A 92 6.584 -4.336 5.287 1.00 0.00 H new ATOM 0 HG3 ARG A 92 5.282 -3.487 6.096 1.00 0.00 H new ATOM 0 HD2 ARG A 92 6.640 -3.011 8.016 1.00 0.00 H new ATOM 0 HD3 ARG A 92 7.869 -4.162 7.529 1.00 0.00 H new ATOM 0 HE ARG A 92 8.639 -2.638 5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 92 6.020 -1.385 7.847 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.327 0.296 7.402 1.00 0.00 H new ATOM 0 HH21 ARG A 92 9.028 -0.478 5.271 1.00 0.00 H new ATOM 0 HH22 ARG A 92 8.024 0.808 5.948 1.00 0.00 H new ATOM 1403 N TYR A 93 6.143 -6.203 3.595 1.00 0.00 N ATOM 1404 CA TYR A 93 6.945 -5.926 2.409 1.00 0.00 C ATOM 1405 C TYR A 93 6.521 -4.607 1.774 1.00 0.00 C ATOM 1406 O TYR A 93 5.447 -4.087 2.067 1.00 0.00 O ATOM 1407 CB TYR A 93 6.805 -7.053 1.385 1.00 0.00 C ATOM 1408 CG TYR A 93 6.022 -8.250 1.879 1.00 0.00 C ATOM 1409 CD1 TYR A 93 6.648 -9.282 2.565 1.00 0.00 C ATOM 1410 CD2 TYR A 93 4.661 -8.361 1.631 1.00 0.00 C ATOM 1411 CE1 TYR A 93 5.936 -10.383 3.000 1.00 0.00 C ATOM 1412 CE2 TYR A 93 3.943 -9.458 2.066 1.00 0.00 C ATOM 1413 CZ TYR A 93 4.584 -10.464 2.753 1.00 0.00 C ATOM 1414 OH TYR A 93 3.872 -11.558 3.190 1.00 0.00 O ATOM 0 H TYR A 93 5.138 -6.228 3.425 1.00 0.00 H new ATOM 0 HA TYR A 93 7.988 -5.856 2.719 1.00 0.00 H new ATOM 0 HB2 TYR A 93 6.319 -6.659 0.493 1.00 0.00 H new ATOM 0 HB3 TYR A 93 7.800 -7.383 1.087 1.00 0.00 H new ATOM 0 HD1 TYR A 93 7.708 -9.223 2.762 1.00 0.00 H new ATOM 0 HD2 TYR A 93 4.155 -7.576 1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 93 6.438 -11.177 3.532 1.00 0.00 H new ATOM 0 HE2 TYR A 93 2.883 -9.526 1.868 1.00 0.00 H new ATOM 0 HH TYR A 93 2.966 -11.280 3.440 1.00 0.00 H new ATOM 1424 N LEU A 94 7.374 -4.065 0.911 1.00 0.00 N ATOM 1425 CA LEU A 94 7.080 -2.795 0.253 1.00 0.00 C ATOM 1426 C LEU A 94 7.813 -2.670 -1.080 1.00 0.00 C ATOM 1427 O LEU A 94 8.889 -3.234 -1.267 1.00 0.00 O ATOM 1428 CB LEU A 94 7.469 -1.629 1.163 1.00 0.00 C ATOM 1429 CG LEU A 94 8.726 -1.859 2.004 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.535 -0.576 2.115 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.353 -2.379 3.383 1.00 0.00 C ATOM 0 H LEU A 94 8.268 -4.481 0.652 1.00 0.00 H new ATOM 0 HA LEU A 94 6.008 -2.766 0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 94 7.619 -0.742 0.548 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.636 -1.416 1.833 1.00 0.00 H new ATOM 0 HG LEU A 94 9.342 -2.609 1.509 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.425 -0.758 2.717 1.00 0.00 H new ATOM 0 HD12 LEU A 94 9.831 -0.245 1.119 1.00 0.00 H new ATOM 0 HD13 LEU A 94 8.929 0.196 2.589 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.258 -2.538 3.969 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.717 -1.651 3.887 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.816 -3.322 3.283 1.00 0.00 H new ATOM 1443 N ILE A 95 7.223 -1.904 -1.996 1.00 0.00 N ATOM 1444 CA ILE A 95 7.821 -1.669 -3.306 1.00 0.00 C ATOM 1445 C ILE A 95 7.744 -0.185 -3.664 1.00 0.00 C ATOM 1446 O ILE A 95 6.983 0.566 -3.058 1.00 0.00 O ATOM 1447 CB ILE A 95 7.147 -2.522 -4.410 1.00 0.00 C ATOM 1448 CG1 ILE A 95 6.036 -1.742 -5.124 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.586 -3.807 -3.819 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.488 -1.084 -6.411 1.00 0.00 C ATOM 0 H ILE A 95 6.329 -1.435 -1.853 1.00 0.00 H new ATOM 0 HA ILE A 95 8.867 -1.972 -3.249 1.00 0.00 H new ATOM 0 HB ILE A 95 7.910 -2.771 -5.147 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.211 -2.420 -5.343 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.650 -0.977 -4.450 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.116 -4.395 -4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.394 -4.384 -3.369 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.846 -3.564 -3.057 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.650 -0.551 -6.861 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.293 -0.381 -6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 95 6.846 -1.846 -7.103 1.00 0.00 H new ATOM 1462 N GLN A 96 8.545 0.236 -4.637 1.00 0.00 N ATOM 1463 CA GLN A 96 8.553 1.633 -5.061 1.00 0.00 C ATOM 1464 C GLN A 96 8.998 1.766 -6.513 1.00 0.00 C ATOM 1465 O GLN A 96 9.362 0.779 -7.155 1.00 0.00 O ATOM 1466 CB GLN A 96 9.471 2.460 -4.156 1.00 0.00 C ATOM 1467 CG GLN A 96 10.787 1.774 -3.828 1.00 0.00 C ATOM 1468 CD GLN A 96 11.920 2.759 -3.613 1.00 0.00 C ATOM 1469 OE1 GLN A 96 12.238 3.559 -4.492 1.00 0.00 O ATOM 1470 NE2 GLN A 96 12.535 2.707 -2.437 1.00 0.00 N ATOM 0 H GLN A 96 9.194 -0.365 -5.145 1.00 0.00 H new ATOM 0 HA GLN A 96 7.534 2.012 -4.979 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.680 3.414 -4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 96 8.946 2.682 -3.227 1.00 0.00 H new ATOM 0 HG2 GLN A 96 10.663 1.167 -2.931 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.050 1.094 -4.638 1.00 0.00 H new ATOM 0 HE21 GLN A 96 12.239 2.028 -1.736 1.00 0.00 H new ATOM 0 HE22 GLN A 96 13.303 3.347 -2.235 1.00 0.00 H new ATOM 1479 N LYS A 97 8.988 2.996 -7.016 1.00 0.00 N ATOM 1480 CA LYS A 97 9.386 3.266 -8.394 1.00 0.00 C ATOM 1481 C LYS A 97 10.526 4.280 -8.443 1.00 0.00 C ATOM 1482 O LYS A 97 11.690 3.867 -8.255 1.00 0.00 O ATOM 1483 CB LYS A 97 8.193 3.792 -9.194 1.00 0.00 C ATOM 1484 CG LYS A 97 7.882 2.978 -10.438 1.00 0.00 C ATOM 1485 CD LYS A 97 8.276 3.722 -11.704 1.00 0.00 C ATOM 1486 CE LYS A 97 9.764 3.599 -11.985 1.00 0.00 C ATOM 1487 NZ LYS A 97 10.044 3.418 -13.436 1.00 0.00 N ATOM 1488 OXT LYS A 97 10.246 5.476 -8.669 1.00 0.00 O ATOM 0 H LYS A 97 8.708 3.823 -6.489 1.00 0.00 H new ATOM 0 HA LYS A 97 9.733 2.332 -8.836 1.00 0.00 H new ATOM 0 HB2 LYS A 97 7.313 3.805 -8.550 1.00 0.00 H new ATOM 0 HB3 LYS A 97 8.390 4.824 -9.486 1.00 0.00 H new ATOM 0 HG2 LYS A 97 8.413 2.027 -10.394 1.00 0.00 H new ATOM 0 HG3 LYS A 97 6.817 2.748 -10.467 1.00 0.00 H new ATOM 0 HD2 LYS A 97 7.712 3.327 -12.549 1.00 0.00 H new ATOM 0 HD3 LYS A 97 8.009 4.774 -11.606 1.00 0.00 H new ATOM 0 HE2 LYS A 97 10.276 4.492 -11.625 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.169 2.753 -11.429 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 11.070 3.338 -13.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.577 2.552 -13.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 9.680 4.237 -13.964 1.00 0.00 H new