USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=12 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= -0.212 USER MOD Set 1.2: A 63 CYS SG : rot 14:sc= 0.44 USER MOD Set 1.3: A 68 ASN : amide:sc= -3.86! C(o=-3.9!,f=-5.5!) USER MOD Set 1.4: A 93 TYR OH : rot 180:sc= -0.285 USER MOD Single : A 6 HIS : no HD1:sc= -0.0264 X(o=-0.026,f=-0.0023) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= 0.465 K(o=0.46,f=-2.8!) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0.0918 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -31:sc= -4.51! USER MOD Single : A 48 MET CE :methyl -172:sc= -4.37 (180deg=-4.46) USER MOD Single : A 50 GLN : amide:sc= -1.32! X(o=-1.3!,f=-0.93) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.98) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 ASN : amide:sc= -9.93! C(o=-9.9!,f=-14!) USER MOD Single : A 76 ASN : amide:sc= -0.0854 K(o=-0.085,f=-1.7!) USER MOD Single : A 77 HIS : no HD1:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 79 TYR OH : rot -111:sc= -2.11! USER MOD Single : A 80 THR OG1 : rot 84:sc= 0.499 USER MOD Single : A 85 GLN : amide:sc= -0.792 K(o=-0.79,f=-2.6!) USER MOD Single : A 86 GLN : amide:sc= -0.166 K(o=-0.17,f=-2.3!) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= 0 K(o=0,f=-0.62) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N HIS A 6 -20.858 -5.259 6.494 1.00 0.00 N ATOM 67 CA HIS A 6 -21.552 -4.127 5.890 1.00 0.00 C ATOM 68 C HIS A 6 -22.499 -3.471 6.891 1.00 0.00 C ATOM 69 O HIS A 6 -23.599 -3.046 6.535 1.00 0.00 O ATOM 70 CB HIS A 6 -22.333 -4.584 4.654 1.00 0.00 C ATOM 71 CG HIS A 6 -21.662 -4.241 3.360 1.00 0.00 C ATOM 72 ND1 HIS A 6 -22.374 -3.752 2.291 1.00 0.00 N ATOM 73 CD2 HIS A 6 -20.354 -4.338 3.014 1.00 0.00 C ATOM 74 CE1 HIS A 6 -21.493 -3.560 1.325 1.00 0.00 C ATOM 75 NE2 HIS A 6 -20.257 -3.901 1.719 1.00 0.00 N ATOM 0 HA HIS A 6 -20.805 -3.392 5.590 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -22.477 -5.663 4.704 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -23.323 -4.129 4.672 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -19.546 -4.691 3.638 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -21.737 -3.178 0.345 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -19.406 -3.845 1.160 1.00 0.00 H new ATOM 83 N HIS A 7 -22.062 -3.389 8.144 1.00 0.00 N ATOM 84 CA HIS A 7 -22.866 -2.780 9.197 1.00 0.00 C ATOM 85 C HIS A 7 -22.627 -1.276 9.263 1.00 0.00 C ATOM 86 O HIS A 7 -21.490 -0.814 9.162 1.00 0.00 O ATOM 87 CB HIS A 7 -22.545 -3.420 10.549 1.00 0.00 C ATOM 88 CG HIS A 7 -23.479 -4.527 10.929 1.00 0.00 C ATOM 89 ND1 HIS A 7 -24.199 -4.488 12.099 1.00 0.00 N ATOM 90 CD2 HIS A 7 -23.773 -5.673 10.266 1.00 0.00 C ATOM 91 CE1 HIS A 7 -24.910 -5.600 12.124 1.00 0.00 C ATOM 92 NE2 HIS A 7 -24.684 -6.349 11.035 1.00 0.00 N ATOM 0 H HIS A 7 -21.155 -3.737 8.455 1.00 0.00 H new ATOM 0 HA HIS A 7 -23.916 -2.952 8.963 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -21.527 -3.808 10.524 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -22.574 -2.651 11.321 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -23.368 -5.991 9.317 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -25.587 -5.872 12.920 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -25.109 -7.251 10.820 1.00 0.00 H new ATOM 100 N HIS A 8 -23.704 -0.516 9.433 1.00 0.00 N ATOM 101 CA HIS A 8 -23.612 0.938 9.513 1.00 0.00 C ATOM 102 C HIS A 8 -22.990 1.371 10.836 1.00 0.00 C ATOM 103 O HIS A 8 -23.378 0.891 11.902 1.00 0.00 O ATOM 104 CB HIS A 8 -24.997 1.567 9.357 1.00 0.00 C ATOM 105 CG HIS A 8 -25.006 2.794 8.499 1.00 0.00 C ATOM 106 ND1 HIS A 8 -25.169 2.714 7.136 1.00 0.00 N ATOM 107 CD2 HIS A 8 -24.869 4.095 8.854 1.00 0.00 C ATOM 108 CE1 HIS A 8 -25.128 3.959 6.694 1.00 0.00 C ATOM 109 NE2 HIS A 8 -24.949 4.829 7.699 1.00 0.00 N ATOM 0 H HIS A 8 -24.652 -0.883 9.518 1.00 0.00 H new ATOM 0 HA HIS A 8 -22.971 1.282 8.701 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -25.675 0.829 8.928 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -25.384 1.821 10.344 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -24.725 4.479 9.853 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -25.226 4.240 5.656 1.00 0.00 H new ATOM 0 HE2 HIS A 8 -24.885 5.844 7.619 1.00 0.00 H new ATOM 117 N HIS A 9 -22.024 2.280 10.759 1.00 0.00 N ATOM 118 CA HIS A 9 -21.348 2.782 11.950 1.00 0.00 C ATOM 119 C HIS A 9 -21.807 4.200 12.276 1.00 0.00 C ATOM 120 O HIS A 9 -22.717 4.729 11.640 1.00 0.00 O ATOM 121 CB HIS A 9 -19.830 2.756 11.752 1.00 0.00 C ATOM 122 CG HIS A 9 -19.366 3.526 10.555 1.00 0.00 C ATOM 123 ND1 HIS A 9 -19.745 3.170 9.282 1.00 0.00 N ATOM 124 CD2 HIS A 9 -18.562 4.616 10.490 1.00 0.00 C ATOM 125 CE1 HIS A 9 -19.168 4.044 8.476 1.00 0.00 C ATOM 126 NE2 HIS A 9 -18.442 4.938 9.164 1.00 0.00 N ATOM 0 H HIS A 9 -21.691 2.685 9.884 1.00 0.00 H new ATOM 0 HA HIS A 9 -21.607 2.133 12.786 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.349 3.161 12.642 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.503 1.721 11.656 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -18.105 5.131 11.322 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -19.268 4.039 7.401 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -17.903 5.711 8.774 1.00 0.00 H new ATOM 134 N HIS A 10 -21.171 4.809 13.274 1.00 0.00 N ATOM 135 CA HIS A 10 -21.517 6.164 13.684 1.00 0.00 C ATOM 136 C HIS A 10 -20.265 6.993 13.949 1.00 0.00 C ATOM 137 O HIS A 10 -19.916 7.875 13.163 1.00 0.00 O ATOM 138 CB HIS A 10 -22.396 6.131 14.937 1.00 0.00 C ATOM 139 CG HIS A 10 -23.576 7.048 14.865 1.00 0.00 C ATOM 140 ND1 HIS A 10 -24.631 6.794 14.019 1.00 0.00 N ATOM 141 CD2 HIS A 10 -23.822 8.193 15.547 1.00 0.00 C ATOM 142 CE1 HIS A 10 -25.487 7.782 14.202 1.00 0.00 C ATOM 143 NE2 HIS A 10 -25.040 8.653 15.118 1.00 0.00 N ATOM 0 H HIS A 10 -20.415 4.385 13.812 1.00 0.00 H new ATOM 0 HA HIS A 10 -22.072 6.631 12.870 1.00 0.00 H new ATOM 0 HB2 HIS A 10 -22.748 5.112 15.097 1.00 0.00 H new ATOM 0 HB3 HIS A 10 -21.790 6.399 15.803 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -23.182 8.654 16.285 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -26.428 7.877 13.680 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -25.516 9.498 15.435 1.00 0.00 H new ATOM 151 N SER A 11 -19.596 6.708 15.062 1.00 0.00 N ATOM 152 CA SER A 11 -18.386 7.433 15.434 1.00 0.00 C ATOM 153 C SER A 11 -17.202 6.484 15.585 1.00 0.00 C ATOM 154 O SER A 11 -16.133 6.879 16.049 1.00 0.00 O ATOM 155 CB SER A 11 -18.609 8.197 16.741 1.00 0.00 C ATOM 156 OG SER A 11 -18.939 7.314 17.799 1.00 0.00 O ATOM 0 H SER A 11 -19.871 5.980 15.722 1.00 0.00 H new ATOM 0 HA SER A 11 -18.159 8.141 14.637 1.00 0.00 H new ATOM 0 HB2 SER A 11 -17.709 8.756 16.997 1.00 0.00 H new ATOM 0 HB3 SER A 11 -19.409 8.925 16.608 1.00 0.00 H new ATOM 0 HG SER A 11 -19.075 7.827 18.623 1.00 0.00 H new ATOM 162 N SER A 12 -17.400 5.231 15.188 1.00 0.00 N ATOM 163 CA SER A 12 -16.347 4.225 15.280 1.00 0.00 C ATOM 164 C SER A 12 -15.199 4.551 14.331 1.00 0.00 C ATOM 165 O SER A 12 -15.420 4.965 13.193 1.00 0.00 O ATOM 166 CB SER A 12 -16.909 2.838 14.962 1.00 0.00 C ATOM 167 OG SER A 12 -18.324 2.834 15.023 1.00 0.00 O ATOM 0 H SER A 12 -18.279 4.888 14.800 1.00 0.00 H new ATOM 0 HA SER A 12 -15.963 4.229 16.300 1.00 0.00 H new ATOM 0 HB2 SER A 12 -16.584 2.530 13.968 1.00 0.00 H new ATOM 0 HB3 SER A 12 -16.510 2.110 15.668 1.00 0.00 H new ATOM 0 HG SER A 12 -18.658 1.937 14.814 1.00 0.00 H new ATOM 173 N GLY A 13 -13.971 4.362 14.808 1.00 0.00 N ATOM 174 CA GLY A 13 -12.806 4.643 13.990 1.00 0.00 C ATOM 175 C GLY A 13 -12.291 3.411 13.270 1.00 0.00 C ATOM 176 O GLY A 13 -11.125 3.355 12.879 1.00 0.00 O ATOM 0 H GLY A 13 -13.763 4.019 15.746 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.057 5.410 13.257 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -12.014 5.050 14.619 1.00 0.00 H new ATOM 390 N ASP A 27 0.926 3.281 -4.390 1.00 0.00 N ATOM 391 CA ASP A 27 1.016 3.158 -2.938 1.00 0.00 C ATOM 392 C ASP A 27 -0.186 2.406 -2.379 1.00 0.00 C ATOM 393 O ASP A 27 -1.096 3.001 -1.800 1.00 0.00 O ATOM 394 CB ASP A 27 1.164 4.537 -2.284 1.00 0.00 C ATOM 395 CG ASP A 27 0.007 5.472 -2.583 1.00 0.00 C ATOM 396 OD1 ASP A 27 0.030 6.121 -3.649 1.00 0.00 O ATOM 397 OD2 ASP A 27 -0.911 5.572 -1.742 1.00 0.00 O ATOM 0 HA ASP A 27 1.908 2.578 -2.700 1.00 0.00 H new ATOM 0 HB2 ASP A 27 1.251 4.412 -1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 27 2.091 4.996 -2.627 1.00 0.00 H new ATOM 402 N TYR A 28 -0.192 1.087 -2.569 1.00 0.00 N ATOM 403 CA TYR A 28 -1.300 0.260 -2.090 1.00 0.00 C ATOM 404 C TYR A 28 -0.909 -0.496 -0.824 1.00 0.00 C ATOM 405 O TYR A 28 0.271 -0.611 -0.506 1.00 0.00 O ATOM 406 CB TYR A 28 -1.746 -0.722 -3.175 1.00 0.00 C ATOM 407 CG TYR A 28 -2.914 -0.224 -3.998 1.00 0.00 C ATOM 408 CD1 TYR A 28 -2.746 0.783 -4.940 1.00 0.00 C ATOM 409 CD2 TYR A 28 -4.184 -0.762 -3.832 1.00 0.00 C ATOM 410 CE1 TYR A 28 -3.809 1.240 -5.693 1.00 0.00 C ATOM 411 CE2 TYR A 28 -5.253 -0.310 -4.583 1.00 0.00 C ATOM 412 CZ TYR A 28 -5.061 0.692 -5.511 1.00 0.00 C ATOM 413 OH TYR A 28 -6.122 1.144 -6.260 1.00 0.00 O ATOM 0 H TYR A 28 0.549 0.572 -3.046 1.00 0.00 H new ATOM 0 HA TYR A 28 -2.133 0.921 -1.851 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -0.905 -0.925 -3.838 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -2.019 -1.668 -2.708 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -1.767 1.216 -5.086 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -4.339 -1.546 -3.105 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -3.661 2.023 -6.421 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.234 -0.740 -4.444 1.00 0.00 H new ATOM 0 HH TYR A 28 -6.932 0.653 -6.009 1.00 0.00 H new ATOM 423 N ARG A 29 -1.905 -0.979 -0.083 1.00 0.00 N ATOM 424 CA ARG A 29 -1.641 -1.682 1.170 1.00 0.00 C ATOM 425 C ARG A 29 -2.458 -2.966 1.303 1.00 0.00 C ATOM 426 O ARG A 29 -3.603 -3.045 0.858 1.00 0.00 O ATOM 427 CB ARG A 29 -1.932 -0.763 2.357 1.00 0.00 C ATOM 428 CG ARG A 29 -3.310 -0.124 2.312 1.00 0.00 C ATOM 429 CD ARG A 29 -3.806 0.234 3.703 1.00 0.00 C ATOM 430 NE ARG A 29 -3.778 1.674 3.940 1.00 0.00 N ATOM 431 CZ ARG A 29 -4.768 2.496 3.606 1.00 0.00 C ATOM 432 NH1 ARG A 29 -5.862 2.023 3.023 1.00 0.00 N ATOM 433 NH2 ARG A 29 -4.667 3.795 3.855 1.00 0.00 N ATOM 0 H ARG A 29 -2.892 -0.898 -0.326 1.00 0.00 H new ATOM 0 HA ARG A 29 -0.588 -1.963 1.164 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -1.837 -1.335 3.280 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.178 0.023 2.390 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.275 0.774 1.695 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.014 -0.809 1.839 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -4.824 -0.135 3.831 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.189 -0.268 4.448 1.00 0.00 H new ATOM 0 HE ARG A 29 -2.952 2.072 4.387 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -5.946 1.025 2.829 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.619 2.657 2.768 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.829 4.165 4.303 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.428 4.424 3.598 1.00 0.00 H new ATOM 447 N LEU A 30 -1.854 -3.960 1.953 1.00 0.00 N ATOM 448 CA LEU A 30 -2.503 -5.242 2.217 1.00 0.00 C ATOM 449 C LEU A 30 -2.257 -5.643 3.670 1.00 0.00 C ATOM 450 O LEU A 30 -1.259 -6.292 3.976 1.00 0.00 O ATOM 451 CB LEU A 30 -1.951 -6.323 1.276 1.00 0.00 C ATOM 452 CG LEU A 30 -2.936 -7.415 0.807 1.00 0.00 C ATOM 453 CD1 LEU A 30 -2.357 -8.789 1.100 1.00 0.00 C ATOM 454 CD2 LEU A 30 -4.297 -7.275 1.478 1.00 0.00 C ATOM 0 H LEU A 30 -0.901 -3.898 2.311 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.574 -5.143 2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.548 -5.829 0.392 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.116 -6.813 1.776 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.080 -7.295 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.056 -9.557 0.767 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -1.411 -8.905 0.571 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.188 -8.892 2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.961 -8.062 1.121 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.181 -7.361 2.558 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.724 -6.302 1.235 1.00 0.00 H new ATOM 466 N ASP A 31 -3.161 -5.254 4.563 1.00 0.00 N ATOM 467 CA ASP A 31 -2.978 -5.519 5.987 1.00 0.00 C ATOM 468 C ASP A 31 -3.819 -6.702 6.454 1.00 0.00 C ATOM 469 O ASP A 31 -4.675 -6.564 7.328 1.00 0.00 O ATOM 470 CB ASP A 31 -3.336 -4.273 6.802 1.00 0.00 C ATOM 471 CG ASP A 31 -2.825 -4.346 8.229 1.00 0.00 C ATOM 472 OD1 ASP A 31 -1.864 -5.104 8.478 1.00 0.00 O ATOM 473 OD2 ASP A 31 -3.387 -3.645 9.096 1.00 0.00 O ATOM 0 H ASP A 31 -4.021 -4.758 4.330 1.00 0.00 H new ATOM 0 HA ASP A 31 -1.929 -5.772 6.145 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.919 -3.392 6.315 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -4.419 -4.149 6.813 1.00 0.00 H new ATOM 478 N MET A 32 -3.594 -7.859 5.838 1.00 0.00 N ATOM 479 CA MET A 32 -4.322 -9.069 6.208 1.00 0.00 C ATOM 480 C MET A 32 -3.396 -10.289 6.271 1.00 0.00 C ATOM 481 O MET A 32 -2.583 -10.428 7.190 1.00 0.00 O ATOM 482 CB MET A 32 -5.467 -9.317 5.222 1.00 0.00 C ATOM 483 CG MET A 32 -6.610 -8.324 5.358 1.00 0.00 C ATOM 484 SD MET A 32 -7.970 -8.673 4.227 1.00 0.00 S ATOM 485 CE MET A 32 -9.265 -7.655 4.931 1.00 0.00 C ATOM 0 H MET A 32 -2.918 -7.984 5.085 1.00 0.00 H new ATOM 0 HA MET A 32 -4.735 -8.919 7.205 1.00 0.00 H new ATOM 0 HB2 MET A 32 -5.077 -9.272 4.205 1.00 0.00 H new ATOM 0 HB3 MET A 32 -5.853 -10.326 5.371 1.00 0.00 H new ATOM 0 HG2 MET A 32 -6.981 -8.341 6.383 1.00 0.00 H new ATOM 0 HG3 MET A 32 -6.236 -7.317 5.171 1.00 0.00 H new ATOM 0 HE1 MET A 32 -10.174 -7.763 4.340 1.00 0.00 H new ATOM 0 HE2 MET A 32 -9.459 -7.970 5.956 1.00 0.00 H new ATOM 0 HE3 MET A 32 -8.951 -6.611 4.926 1.00 0.00 H new ATOM 495 N VAL A 33 -3.575 -11.201 5.319 1.00 0.00 N ATOM 496 CA VAL A 33 -2.775 -12.405 5.231 1.00 0.00 C ATOM 497 C VAL A 33 -2.364 -12.629 3.786 1.00 0.00 C ATOM 498 O VAL A 33 -2.937 -12.031 2.874 1.00 0.00 O ATOM 499 CB VAL A 33 -3.557 -13.632 5.746 1.00 0.00 C ATOM 500 CG1 VAL A 33 -4.652 -14.024 4.764 1.00 0.00 C ATOM 501 CG2 VAL A 33 -2.622 -14.801 6.007 1.00 0.00 C ATOM 0 H VAL A 33 -4.282 -11.120 4.588 1.00 0.00 H new ATOM 0 HA VAL A 33 -1.891 -12.280 5.856 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.028 -13.361 6.691 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -5.191 -14.891 5.147 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -5.345 -13.192 4.640 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.206 -14.270 3.801 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.197 -15.653 6.369 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -2.113 -15.073 5.082 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -1.884 -14.516 6.757 1.00 0.00 H new ATOM 511 N GLY A 34 -1.383 -13.484 3.571 1.00 0.00 N ATOM 512 CA GLY A 34 -0.939 -13.750 2.223 1.00 0.00 C ATOM 513 C GLY A 34 -1.579 -14.995 1.639 1.00 0.00 C ATOM 514 O GLY A 34 -0.964 -16.060 1.605 1.00 0.00 O ATOM 0 H GLY A 34 -0.888 -13.997 4.300 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.173 -12.894 1.591 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.145 -13.865 2.216 1.00 0.00 H new ATOM 518 N GLU A 35 -2.823 -14.856 1.189 1.00 0.00 N ATOM 519 CA GLU A 35 -3.560 -15.973 0.611 1.00 0.00 C ATOM 520 C GLU A 35 -3.549 -15.901 -0.918 1.00 0.00 C ATOM 521 O GLU A 35 -3.291 -14.842 -1.492 1.00 0.00 O ATOM 522 CB GLU A 35 -5.000 -15.979 1.137 1.00 0.00 C ATOM 523 CG GLU A 35 -5.934 -15.049 0.379 1.00 0.00 C ATOM 524 CD GLU A 35 -7.164 -14.677 1.182 1.00 0.00 C ATOM 525 OE1 GLU A 35 -7.010 -14.035 2.243 1.00 0.00 O ATOM 526 OE2 GLU A 35 -8.284 -15.027 0.752 1.00 0.00 O ATOM 0 H GLU A 35 -3.342 -13.978 1.214 1.00 0.00 H new ATOM 0 HA GLU A 35 -3.071 -16.901 0.908 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -5.392 -16.995 1.084 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -4.994 -15.694 2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -5.395 -14.142 0.106 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -6.242 -15.528 -0.550 1.00 0.00 H new ATOM 593 N PRO A 40 -6.090 -6.314 -2.922 1.00 0.00 N ATOM 594 CA PRO A 40 -5.243 -5.133 -3.137 1.00 0.00 C ATOM 595 C PRO A 40 -4.052 -5.425 -4.045 1.00 0.00 C ATOM 596 O PRO A 40 -3.596 -4.548 -4.777 1.00 0.00 O ATOM 597 CB PRO A 40 -4.769 -4.759 -1.728 1.00 0.00 C ATOM 598 CG PRO A 40 -5.726 -5.437 -0.813 1.00 0.00 C ATOM 599 CD PRO A 40 -6.099 -6.714 -1.504 1.00 0.00 C ATOM 0 HA PRO A 40 -5.789 -4.334 -3.638 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -3.747 -5.096 -1.552 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -4.779 -3.679 -1.581 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -5.270 -5.634 0.157 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -6.604 -4.817 -0.633 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -5.383 -7.511 -1.301 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -7.078 -7.077 -1.189 1.00 0.00 H new ATOM 607 N ALA A 41 -3.549 -6.661 -4.001 1.00 0.00 N ATOM 608 CA ALA A 41 -2.424 -7.048 -4.850 1.00 0.00 C ATOM 609 C ALA A 41 -2.829 -7.007 -6.306 1.00 0.00 C ATOM 610 O ALA A 41 -1.987 -7.002 -7.206 1.00 0.00 O ATOM 611 CB ALA A 41 -1.912 -8.427 -4.497 1.00 0.00 C ATOM 0 H ALA A 41 -3.899 -7.402 -3.394 1.00 0.00 H new ATOM 0 HA ALA A 41 -1.618 -6.334 -4.679 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -1.076 -8.682 -5.148 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -1.580 -8.437 -3.459 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.711 -9.157 -4.629 1.00 0.00 H new ATOM 617 N VAL A 42 -4.129 -7.002 -6.532 1.00 0.00 N ATOM 618 CA VAL A 42 -4.645 -6.903 -7.890 1.00 0.00 C ATOM 619 C VAL A 42 -4.110 -5.628 -8.527 1.00 0.00 C ATOM 620 O VAL A 42 -3.935 -5.545 -9.743 1.00 0.00 O ATOM 621 CB VAL A 42 -6.187 -6.907 -7.929 1.00 0.00 C ATOM 622 CG1 VAL A 42 -6.699 -6.542 -9.316 1.00 0.00 C ATOM 623 CG2 VAL A 42 -6.724 -8.264 -7.500 1.00 0.00 C ATOM 0 H VAL A 42 -4.842 -7.064 -5.805 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.310 -7.778 -8.448 1.00 0.00 H new ATOM 0 HB VAL A 42 -6.547 -6.153 -7.229 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -7.789 -6.552 -9.316 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -6.346 -5.546 -9.584 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -6.329 -7.266 -10.042 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.813 -8.251 -7.533 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -6.350 -9.033 -8.175 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -6.394 -8.481 -6.484 1.00 0.00 H new ATOM 633 N ALA A 43 -3.830 -4.643 -7.677 1.00 0.00 N ATOM 634 CA ALA A 43 -3.247 -3.388 -8.122 1.00 0.00 C ATOM 635 C ALA A 43 -1.779 -3.584 -8.479 1.00 0.00 C ATOM 636 O ALA A 43 -1.250 -2.905 -9.354 1.00 0.00 O ATOM 637 CB ALA A 43 -3.397 -2.322 -7.048 1.00 0.00 C ATOM 0 H ALA A 43 -4.000 -4.694 -6.673 1.00 0.00 H new ATOM 0 HA ALA A 43 -3.778 -3.055 -9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.955 -1.389 -7.397 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.455 -2.166 -6.836 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -2.889 -2.646 -6.140 1.00 0.00 H new ATOM 643 N THR A 44 -1.131 -4.518 -7.785 1.00 0.00 N ATOM 644 CA THR A 44 0.281 -4.815 -8.012 1.00 0.00 C ATOM 645 C THR A 44 0.562 -5.075 -9.489 1.00 0.00 C ATOM 646 O THR A 44 1.246 -4.294 -10.157 1.00 0.00 O ATOM 647 CB THR A 44 0.707 -6.028 -7.190 1.00 0.00 C ATOM 648 OG1 THR A 44 0.113 -5.989 -5.908 1.00 0.00 O ATOM 649 CG2 THR A 44 2.202 -6.131 -7.002 1.00 0.00 C ATOM 0 H THR A 44 -1.565 -5.085 -7.057 1.00 0.00 H new ATOM 0 HA THR A 44 0.856 -3.944 -7.699 1.00 0.00 H new ATOM 0 HB THR A 44 0.373 -6.897 -7.757 1.00 0.00 H new ATOM 0 HG1 THR A 44 -0.009 -5.057 -5.632 1.00 0.00 H new ATOM 0 HG21 THR A 44 2.434 -7.016 -6.409 1.00 0.00 H new ATOM 0 HG22 THR A 44 2.687 -6.209 -7.975 1.00 0.00 H new ATOM 0 HG23 THR A 44 2.566 -5.243 -6.486 1.00 0.00 H new ATOM 657 N LEU A 45 0.035 -6.187 -9.991 1.00 0.00 N ATOM 658 CA LEU A 45 0.242 -6.568 -11.383 1.00 0.00 C ATOM 659 C LEU A 45 -0.331 -5.520 -12.332 1.00 0.00 C ATOM 660 O LEU A 45 0.292 -5.169 -13.334 1.00 0.00 O ATOM 661 CB LEU A 45 -0.401 -7.927 -11.663 1.00 0.00 C ATOM 662 CG LEU A 45 0.318 -9.126 -11.038 1.00 0.00 C ATOM 663 CD1 LEU A 45 -0.385 -10.423 -11.410 1.00 0.00 C ATOM 664 CD2 LEU A 45 1.776 -9.165 -11.473 1.00 0.00 C ATOM 0 H LEU A 45 -0.538 -6.839 -9.455 1.00 0.00 H new ATOM 0 HA LEU A 45 1.316 -6.636 -11.554 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -1.428 -7.908 -11.298 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.449 -8.074 -12.742 1.00 0.00 H new ATOM 0 HG LEU A 45 0.288 -9.016 -9.954 1.00 0.00 H new ATOM 0 HD11 LEU A 45 0.140 -11.264 -10.957 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.412 -10.398 -11.046 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -0.387 -10.538 -12.494 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.269 -10.024 -11.018 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.830 -9.249 -12.558 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.275 -8.250 -11.155 1.00 0.00 H new ATOM 676 N GLU A 46 -1.526 -5.033 -12.015 1.00 0.00 N ATOM 677 CA GLU A 46 -2.190 -4.030 -12.838 1.00 0.00 C ATOM 678 C GLU A 46 -1.406 -2.718 -12.830 1.00 0.00 C ATOM 679 O GLU A 46 -1.581 -1.871 -13.707 1.00 0.00 O ATOM 680 CB GLU A 46 -3.625 -3.813 -12.333 1.00 0.00 C ATOM 681 CG GLU A 46 -4.151 -2.399 -12.519 1.00 0.00 C ATOM 682 CD GLU A 46 -5.587 -2.244 -12.059 1.00 0.00 C ATOM 683 OE1 GLU A 46 -6.499 -2.602 -12.832 1.00 0.00 O ATOM 684 OE2 GLU A 46 -5.798 -1.767 -10.924 1.00 0.00 O ATOM 0 H GLU A 46 -2.056 -5.318 -11.191 1.00 0.00 H new ATOM 0 HA GLU A 46 -2.230 -4.387 -13.867 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -4.288 -4.505 -12.852 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -3.666 -4.066 -11.274 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -3.519 -1.705 -11.965 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -4.079 -2.124 -13.571 1.00 0.00 H new ATOM 691 N ALA A 47 -0.534 -2.562 -11.840 1.00 0.00 N ATOM 692 CA ALA A 47 0.276 -1.354 -11.718 1.00 0.00 C ATOM 693 C ALA A 47 1.359 -1.306 -12.785 1.00 0.00 C ATOM 694 O ALA A 47 1.669 -0.241 -13.315 1.00 0.00 O ATOM 695 CB ALA A 47 0.899 -1.265 -10.333 1.00 0.00 C ATOM 0 H ALA A 47 -0.370 -3.256 -11.111 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.382 -0.497 -11.864 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.499 -0.358 -10.262 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.111 -1.239 -9.581 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.534 -2.134 -10.163 1.00 0.00 H new ATOM 701 N MET A 48 1.939 -2.463 -13.088 1.00 0.00 N ATOM 702 CA MET A 48 3.011 -2.549 -14.078 1.00 0.00 C ATOM 703 C MET A 48 2.676 -1.765 -15.352 1.00 0.00 C ATOM 704 O MET A 48 3.448 -0.898 -15.760 1.00 0.00 O ATOM 705 CB MET A 48 3.317 -4.010 -14.419 1.00 0.00 C ATOM 706 CG MET A 48 3.836 -4.813 -13.240 1.00 0.00 C ATOM 707 SD MET A 48 5.543 -5.346 -13.461 1.00 0.00 S ATOM 708 CE MET A 48 5.763 -6.370 -12.010 1.00 0.00 C ATOM 0 H MET A 48 1.686 -3.355 -12.663 1.00 0.00 H new ATOM 0 HA MET A 48 3.898 -2.096 -13.634 1.00 0.00 H new ATOM 0 HB2 MET A 48 2.412 -4.483 -14.800 1.00 0.00 H new ATOM 0 HB3 MET A 48 4.054 -4.040 -15.221 1.00 0.00 H new ATOM 0 HG2 MET A 48 3.762 -4.211 -12.334 1.00 0.00 H new ATOM 0 HG3 MET A 48 3.202 -5.688 -13.094 1.00 0.00 H new ATOM 0 HE1 MET A 48 6.810 -6.660 -11.925 1.00 0.00 H new ATOM 0 HE2 MET A 48 5.468 -5.811 -11.122 1.00 0.00 H new ATOM 0 HE3 MET A 48 5.145 -7.264 -12.098 1.00 0.00 H new ATOM 718 N PRO A 49 1.528 -2.042 -16.003 1.00 0.00 N ATOM 719 CA PRO A 49 1.138 -1.321 -17.218 1.00 0.00 C ATOM 720 C PRO A 49 0.840 0.147 -16.933 1.00 0.00 C ATOM 721 O PRO A 49 1.440 1.041 -17.529 1.00 0.00 O ATOM 722 CB PRO A 49 -0.124 -2.048 -17.686 1.00 0.00 C ATOM 723 CG PRO A 49 -0.671 -2.694 -16.462 1.00 0.00 C ATOM 724 CD PRO A 49 0.520 -3.048 -15.613 1.00 0.00 C ATOM 0 HA PRO A 49 1.932 -1.316 -17.965 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -0.842 -1.353 -18.120 1.00 0.00 H new ATOM 0 HB3 PRO A 49 0.107 -2.787 -18.453 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -1.342 -2.019 -15.931 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.248 -3.583 -16.715 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.287 -2.992 -14.550 1.00 0.00 H new ATOM 0 HD3 PRO A 49 0.867 -4.062 -15.810 1.00 0.00 H new ATOM 732 N GLN A 50 -0.095 0.384 -16.017 1.00 0.00 N ATOM 733 CA GLN A 50 -0.476 1.741 -15.640 1.00 0.00 C ATOM 734 C GLN A 50 0.597 2.415 -14.780 1.00 0.00 C ATOM 735 O GLN A 50 0.315 3.404 -14.103 1.00 0.00 O ATOM 736 CB GLN A 50 -1.813 1.725 -14.893 1.00 0.00 C ATOM 737 CG GLN A 50 -1.713 1.207 -13.466 1.00 0.00 C ATOM 738 CD GLN A 50 -2.805 1.754 -12.567 1.00 0.00 C ATOM 739 OE1 GLN A 50 -3.345 1.039 -11.723 1.00 0.00 O ATOM 740 NE2 GLN A 50 -3.134 3.029 -12.742 1.00 0.00 N ATOM 0 H GLN A 50 -0.604 -0.348 -15.521 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.579 2.321 -16.557 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.221 2.736 -14.875 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.520 1.106 -15.446 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.766 0.118 -13.474 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -0.740 1.475 -13.054 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.660 3.585 -13.454 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.861 3.452 -12.164 1.00 0.00 H new ATOM 749 N LEU A 51 1.820 1.879 -14.808 1.00 0.00 N ATOM 750 CA LEU A 51 2.919 2.429 -14.020 1.00 0.00 C ATOM 751 C LEU A 51 2.963 3.953 -14.116 1.00 0.00 C ATOM 752 O LEU A 51 2.539 4.534 -15.116 1.00 0.00 O ATOM 753 CB LEU A 51 4.250 1.830 -14.483 1.00 0.00 C ATOM 754 CG LEU A 51 5.006 2.650 -15.529 1.00 0.00 C ATOM 755 CD1 LEU A 51 6.293 3.209 -14.941 1.00 0.00 C ATOM 756 CD2 LEU A 51 5.299 1.804 -16.759 1.00 0.00 C ATOM 0 H LEU A 51 2.071 1.065 -15.369 1.00 0.00 H new ATOM 0 HA LEU A 51 2.751 2.164 -12.976 1.00 0.00 H new ATOM 0 HB2 LEU A 51 4.893 1.700 -13.613 1.00 0.00 H new ATOM 0 HB3 LEU A 51 4.061 0.837 -14.891 1.00 0.00 H new ATOM 0 HG LEU A 51 4.377 3.487 -15.832 1.00 0.00 H new ATOM 0 HD11 LEU A 51 6.818 3.790 -15.700 1.00 0.00 H new ATOM 0 HD12 LEU A 51 6.057 3.851 -14.092 1.00 0.00 H new ATOM 0 HD13 LEU A 51 6.928 2.388 -14.609 1.00 0.00 H new ATOM 0 HD21 LEU A 51 5.837 2.403 -17.493 1.00 0.00 H new ATOM 0 HD22 LEU A 51 5.908 0.946 -16.474 1.00 0.00 H new ATOM 0 HD23 LEU A 51 4.362 1.455 -17.193 1.00 0.00 H new ATOM 768 N LYS A 52 3.469 4.592 -13.067 1.00 0.00 N ATOM 769 CA LYS A 52 3.550 6.047 -13.026 1.00 0.00 C ATOM 770 C LYS A 52 4.947 6.509 -12.626 1.00 0.00 C ATOM 771 O LYS A 52 5.838 5.695 -12.385 1.00 0.00 O ATOM 772 CB LYS A 52 2.519 6.609 -12.046 1.00 0.00 C ATOM 773 CG LYS A 52 1.122 6.043 -12.239 1.00 0.00 C ATOM 774 CD LYS A 52 0.054 7.091 -11.970 1.00 0.00 C ATOM 775 CE LYS A 52 -1.075 7.009 -12.985 1.00 0.00 C ATOM 776 NZ LYS A 52 -1.710 8.336 -13.220 1.00 0.00 N ATOM 0 H LYS A 52 3.829 4.126 -12.234 1.00 0.00 H new ATOM 0 HA LYS A 52 3.337 6.422 -14.027 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.848 6.402 -11.028 1.00 0.00 H new ATOM 0 HB3 LYS A 52 2.481 7.693 -12.154 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.018 5.669 -13.257 1.00 0.00 H new ATOM 0 HG3 LYS A 52 0.977 5.194 -11.571 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.347 6.954 -10.966 1.00 0.00 H new ATOM 0 HD3 LYS A 52 0.501 8.084 -12.001 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.688 6.620 -13.927 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.828 6.304 -12.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -2.474 8.236 -13.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.102 8.696 -12.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.998 9.003 -13.580 1.00 0.00 H new ATOM 790 N LYS A 53 5.125 7.825 -12.551 1.00 0.00 N ATOM 791 CA LYS A 53 6.408 8.407 -12.177 1.00 0.00 C ATOM 792 C LYS A 53 6.525 8.534 -10.661 1.00 0.00 C ATOM 793 O LYS A 53 6.655 9.636 -10.128 1.00 0.00 O ATOM 794 CB LYS A 53 6.573 9.781 -12.831 1.00 0.00 C ATOM 795 CG LYS A 53 7.566 9.793 -13.984 1.00 0.00 C ATOM 796 CD LYS A 53 7.917 11.212 -14.399 1.00 0.00 C ATOM 797 CE LYS A 53 8.647 11.239 -15.733 1.00 0.00 C ATOM 798 NZ LYS A 53 7.954 12.103 -16.728 1.00 0.00 N ATOM 0 H LYS A 53 4.394 8.509 -12.745 1.00 0.00 H new ATOM 0 HA LYS A 53 7.199 7.745 -12.529 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.603 10.120 -13.195 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.898 10.497 -12.076 1.00 0.00 H new ATOM 0 HG2 LYS A 53 8.472 9.263 -13.691 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.145 9.257 -14.835 1.00 0.00 H new ATOM 0 HD2 LYS A 53 7.007 11.807 -14.469 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.540 11.673 -13.633 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.664 11.602 -15.583 1.00 0.00 H new ATOM 0 HE3 LYS A 53 8.725 10.225 -16.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 8.483 12.094 -17.623 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 6.992 11.742 -16.891 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 7.902 13.077 -16.366 1.00 0.00 H new ATOM 812 N GLY A 54 6.474 7.397 -9.972 1.00 0.00 N ATOM 813 CA GLY A 54 6.573 7.402 -8.524 1.00 0.00 C ATOM 814 C GLY A 54 5.711 6.334 -7.881 1.00 0.00 C ATOM 815 O GLY A 54 5.036 6.590 -6.883 1.00 0.00 O ATOM 0 H GLY A 54 6.366 6.473 -10.391 1.00 0.00 H new ATOM 0 HA2 GLY A 54 7.612 7.249 -8.233 1.00 0.00 H new ATOM 0 HA3 GLY A 54 6.277 8.380 -8.146 1.00 0.00 H new ATOM 819 N GLU A 55 5.733 5.135 -8.452 1.00 0.00 N ATOM 820 CA GLU A 55 4.950 4.022 -7.929 1.00 0.00 C ATOM 821 C GLU A 55 5.442 3.617 -6.545 1.00 0.00 C ATOM 822 O GLU A 55 6.614 3.790 -6.216 1.00 0.00 O ATOM 823 CB GLU A 55 5.019 2.832 -8.890 1.00 0.00 C ATOM 824 CG GLU A 55 4.570 1.513 -8.280 1.00 0.00 C ATOM 825 CD GLU A 55 3.632 0.736 -9.182 1.00 0.00 C ATOM 826 OE1 GLU A 55 3.022 1.353 -10.079 1.00 0.00 O ATOM 827 OE2 GLU A 55 3.513 -0.493 -8.993 1.00 0.00 O ATOM 0 H GLU A 55 6.286 4.909 -9.279 1.00 0.00 H new ATOM 0 HA GLU A 55 3.912 4.343 -7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 55 4.400 3.046 -9.761 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.044 2.725 -9.246 1.00 0.00 H new ATOM 0 HG2 GLU A 55 5.446 0.902 -8.062 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.073 1.708 -7.329 1.00 0.00 H new ATOM 834 N ILE A 56 4.526 3.098 -5.733 1.00 0.00 N ATOM 835 CA ILE A 56 4.845 2.681 -4.375 1.00 0.00 C ATOM 836 C ILE A 56 3.876 1.590 -3.912 1.00 0.00 C ATOM 837 O ILE A 56 2.771 1.455 -4.441 1.00 0.00 O ATOM 838 CB ILE A 56 4.797 3.886 -3.399 1.00 0.00 C ATOM 839 CG1 ILE A 56 6.089 4.699 -3.491 1.00 0.00 C ATOM 840 CG2 ILE A 56 4.570 3.433 -1.963 1.00 0.00 C ATOM 841 CD1 ILE A 56 5.861 6.164 -3.792 1.00 0.00 C ATOM 0 H ILE A 56 3.551 2.956 -5.996 1.00 0.00 H new ATOM 0 HA ILE A 56 5.858 2.279 -4.374 1.00 0.00 H new ATOM 0 HB ILE A 56 3.956 4.514 -3.693 1.00 0.00 H new ATOM 0 HG12 ILE A 56 6.632 4.610 -2.550 1.00 0.00 H new ATOM 0 HG13 ILE A 56 6.723 4.271 -4.267 1.00 0.00 H new ATOM 0 HG21 ILE A 56 4.542 4.303 -1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 56 3.623 2.897 -1.896 1.00 0.00 H new ATOM 0 HG23 ILE A 56 5.382 2.774 -1.657 1.00 0.00 H new ATOM 0 HD11 ILE A 56 6.821 6.679 -3.843 1.00 0.00 H new ATOM 0 HD12 ILE A 56 5.345 6.263 -4.747 1.00 0.00 H new ATOM 0 HD13 ILE A 56 5.253 6.607 -3.003 1.00 0.00 H new ATOM 853 N LEU A 57 4.308 0.790 -2.950 1.00 0.00 N ATOM 854 CA LEU A 57 3.476 -0.279 -2.430 1.00 0.00 C ATOM 855 C LEU A 57 3.732 -0.504 -0.970 1.00 0.00 C ATOM 856 O LEU A 57 4.777 -0.124 -0.439 1.00 0.00 O ATOM 857 CB LEU A 57 3.754 -1.576 -3.168 1.00 0.00 C ATOM 858 CG LEU A 57 2.602 -2.580 -3.217 1.00 0.00 C ATOM 859 CD1 LEU A 57 1.312 -1.905 -3.654 1.00 0.00 C ATOM 860 CD2 LEU A 57 2.949 -3.724 -4.156 1.00 0.00 C ATOM 0 H LEU A 57 5.228 0.862 -2.515 1.00 0.00 H new ATOM 0 HA LEU A 57 2.438 0.021 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU A 57 4.042 -1.334 -4.191 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.612 -2.060 -2.701 1.00 0.00 H new ATOM 0 HG LEU A 57 2.449 -2.980 -2.215 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.508 -2.640 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.058 -1.115 -2.948 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.444 -1.476 -4.647 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.123 -4.434 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.125 -3.332 -5.158 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.848 -4.227 -3.800 1.00 0.00 H new ATOM 872 N GLU A 58 2.786 -1.155 -0.329 1.00 0.00 N ATOM 873 CA GLU A 58 2.932 -1.487 1.060 1.00 0.00 C ATOM 874 C GLU A 58 2.171 -2.765 1.387 1.00 0.00 C ATOM 875 O GLU A 58 1.074 -2.991 0.876 1.00 0.00 O ATOM 876 CB GLU A 58 2.448 -0.338 1.954 1.00 0.00 C ATOM 877 CG GLU A 58 2.279 0.995 1.231 1.00 0.00 C ATOM 878 CD GLU A 58 1.118 1.808 1.770 1.00 0.00 C ATOM 879 OE1 GLU A 58 0.816 1.688 2.975 1.00 0.00 O ATOM 880 OE2 GLU A 58 0.509 2.566 0.985 1.00 0.00 O ATOM 0 H GLU A 58 1.910 -1.462 -0.752 1.00 0.00 H new ATOM 0 HA GLU A 58 3.992 -1.650 1.257 1.00 0.00 H new ATOM 0 HB2 GLU A 58 1.494 -0.619 2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 58 3.157 -0.207 2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 58 3.198 1.574 1.325 1.00 0.00 H new ATOM 0 HG3 GLU A 58 2.126 0.810 0.168 1.00 0.00 H new ATOM 887 N VAL A 59 2.766 -3.612 2.218 1.00 0.00 N ATOM 888 CA VAL A 59 2.137 -4.871 2.597 1.00 0.00 C ATOM 889 C VAL A 59 2.353 -5.171 4.075 1.00 0.00 C ATOM 890 O VAL A 59 3.405 -4.866 4.637 1.00 0.00 O ATOM 891 CB VAL A 59 2.672 -6.053 1.761 1.00 0.00 C ATOM 892 CG1 VAL A 59 1.866 -7.312 2.041 1.00 0.00 C ATOM 893 CG2 VAL A 59 2.648 -5.719 0.277 1.00 0.00 C ATOM 0 H VAL A 59 3.680 -3.451 2.641 1.00 0.00 H new ATOM 0 HA VAL A 59 1.071 -4.756 2.402 1.00 0.00 H new ATOM 0 HB VAL A 59 3.707 -6.236 2.051 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.257 -8.135 1.443 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.941 -7.564 3.099 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.821 -7.140 1.782 1.00 0.00 H new ATOM 0 HG21 VAL A 59 3.029 -6.566 -0.293 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.625 -5.505 -0.031 1.00 0.00 H new ATOM 0 HG23 VAL A 59 3.273 -4.846 0.090 1.00 0.00 H new ATOM 903 N VAL A 60 1.344 -5.770 4.696 1.00 0.00 N ATOM 904 CA VAL A 60 1.411 -6.136 6.103 1.00 0.00 C ATOM 905 C VAL A 60 0.505 -7.328 6.379 1.00 0.00 C ATOM 906 O VAL A 60 -0.707 -7.180 6.535 1.00 0.00 O ATOM 907 CB VAL A 60 1.007 -4.965 7.023 1.00 0.00 C ATOM 908 CG1 VAL A 60 2.239 -4.327 7.647 1.00 0.00 C ATOM 909 CG2 VAL A 60 0.191 -3.932 6.259 1.00 0.00 C ATOM 0 H VAL A 60 0.464 -6.014 4.242 1.00 0.00 H new ATOM 0 HA VAL A 60 2.447 -6.397 6.320 1.00 0.00 H new ATOM 0 HB VAL A 60 0.383 -5.360 7.825 1.00 0.00 H new ATOM 0 HG11 VAL A 60 1.935 -3.503 8.293 1.00 0.00 H new ATOM 0 HG12 VAL A 60 2.775 -5.071 8.236 1.00 0.00 H new ATOM 0 HG13 VAL A 60 2.891 -3.949 6.860 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -0.082 -3.116 6.929 1.00 0.00 H new ATOM 0 HG22 VAL A 60 0.783 -3.540 5.432 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -0.713 -4.399 5.869 1.00 0.00 H new ATOM 919 N SER A 61 1.090 -8.517 6.398 1.00 0.00 N ATOM 920 CA SER A 61 0.318 -9.729 6.615 1.00 0.00 C ATOM 921 C SER A 61 1.158 -10.807 7.283 1.00 0.00 C ATOM 922 O SER A 61 2.345 -10.614 7.543 1.00 0.00 O ATOM 923 CB SER A 61 -0.224 -10.247 5.283 1.00 0.00 C ATOM 924 OG SER A 61 -0.014 -9.307 4.244 1.00 0.00 O ATOM 0 H SER A 61 2.090 -8.667 6.267 1.00 0.00 H new ATOM 0 HA SER A 61 -0.512 -9.486 7.278 1.00 0.00 H new ATOM 0 HB2 SER A 61 0.265 -11.188 5.030 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.290 -10.456 5.378 1.00 0.00 H new ATOM 0 HG SER A 61 -0.369 -9.664 3.403 1.00 0.00 H new ATOM 930 N ASP A 62 0.534 -11.951 7.536 1.00 0.00 N ATOM 931 CA ASP A 62 1.222 -13.074 8.165 1.00 0.00 C ATOM 932 C ASP A 62 1.236 -14.286 7.238 1.00 0.00 C ATOM 933 O ASP A 62 0.242 -14.586 6.578 1.00 0.00 O ATOM 934 CB ASP A 62 0.549 -13.435 9.489 1.00 0.00 C ATOM 935 CG ASP A 62 -0.918 -13.052 9.516 1.00 0.00 C ATOM 936 OD1 ASP A 62 -1.741 -13.815 8.967 1.00 0.00 O ATOM 937 OD2 ASP A 62 -1.244 -11.988 10.083 1.00 0.00 O ATOM 0 H ASP A 62 -0.446 -12.126 7.316 1.00 0.00 H new ATOM 0 HA ASP A 62 2.252 -12.776 8.362 1.00 0.00 H new ATOM 0 HB2 ASP A 62 0.645 -14.507 9.662 1.00 0.00 H new ATOM 0 HB3 ASP A 62 1.068 -12.933 10.306 1.00 0.00 H new ATOM 942 N CYS A 63 2.378 -14.965 7.173 1.00 0.00 N ATOM 943 CA CYS A 63 2.519 -16.140 6.321 1.00 0.00 C ATOM 944 C CYS A 63 3.687 -17.013 6.779 1.00 0.00 C ATOM 945 O CYS A 63 4.747 -16.503 7.143 1.00 0.00 O ATOM 946 CB CYS A 63 2.722 -15.717 4.864 1.00 0.00 C ATOM 947 SG CYS A 63 4.401 -15.171 4.478 1.00 0.00 S ATOM 0 H CYS A 63 3.217 -14.722 7.699 1.00 0.00 H new ATOM 0 HA CYS A 63 1.603 -16.725 6.399 1.00 0.00 H new ATOM 0 HB2 CYS A 63 2.466 -16.555 4.215 1.00 0.00 H new ATOM 0 HB3 CYS A 63 2.027 -14.910 4.632 1.00 0.00 H new ATOM 0 HG CYS A 63 5.201 -15.514 5.443 1.00 0.00 H new ATOM 953 N PRO A 64 3.512 -18.348 6.758 1.00 0.00 N ATOM 954 CA PRO A 64 4.559 -19.291 7.169 1.00 0.00 C ATOM 955 C PRO A 64 5.742 -19.290 6.206 1.00 0.00 C ATOM 956 O PRO A 64 6.801 -19.840 6.509 1.00 0.00 O ATOM 957 CB PRO A 64 3.859 -20.658 7.149 1.00 0.00 C ATOM 958 CG PRO A 64 2.398 -20.360 7.057 1.00 0.00 C ATOM 959 CD PRO A 64 2.287 -19.046 6.343 1.00 0.00 C ATOM 0 HA PRO A 64 4.974 -19.031 8.143 1.00 0.00 H new ATOM 0 HB2 PRO A 64 4.191 -21.256 6.300 1.00 0.00 H new ATOM 0 HB3 PRO A 64 4.087 -21.228 8.050 1.00 0.00 H new ATOM 0 HG2 PRO A 64 1.873 -21.145 6.513 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.948 -20.304 8.048 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.241 -19.175 5.262 1.00 0.00 H new ATOM 0 HD3 PRO A 64 1.391 -18.500 6.637 1.00 0.00 H new ATOM 967 N GLN A 65 5.552 -18.675 5.044 1.00 0.00 N ATOM 968 CA GLN A 65 6.599 -18.609 4.031 1.00 0.00 C ATOM 969 C GLN A 65 7.383 -17.304 4.141 1.00 0.00 C ATOM 970 O GLN A 65 7.359 -16.640 5.178 1.00 0.00 O ATOM 971 CB GLN A 65 5.992 -18.738 2.633 1.00 0.00 C ATOM 972 CG GLN A 65 5.079 -19.943 2.475 1.00 0.00 C ATOM 973 CD GLN A 65 4.455 -20.029 1.096 1.00 0.00 C ATOM 974 OE1 GLN A 65 4.545 -19.093 0.301 1.00 0.00 O ATOM 975 NE2 GLN A 65 3.817 -21.156 0.806 1.00 0.00 N ATOM 0 H GLN A 65 4.681 -18.214 4.780 1.00 0.00 H new ATOM 0 HA GLN A 65 7.286 -19.438 4.199 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.428 -17.833 2.406 1.00 0.00 H new ATOM 0 HB3 GLN A 65 6.797 -18.804 1.901 1.00 0.00 H new ATOM 0 HG2 GLN A 65 5.648 -20.852 2.669 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.289 -19.895 3.224 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.767 -21.906 1.496 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.376 -21.272 -0.107 1.00 0.00 H new ATOM 984 N SER A 66 8.080 -16.943 3.067 1.00 0.00 N ATOM 985 CA SER A 66 8.877 -15.722 3.046 1.00 0.00 C ATOM 986 C SER A 66 8.306 -14.709 2.059 1.00 0.00 C ATOM 987 O SER A 66 8.788 -13.580 1.970 1.00 0.00 O ATOM 988 CB SER A 66 10.327 -16.043 2.679 1.00 0.00 C ATOM 989 OG SER A 66 10.840 -17.087 3.487 1.00 0.00 O ATOM 0 H SER A 66 8.108 -17.480 2.200 1.00 0.00 H new ATOM 0 HA SER A 66 8.846 -15.284 4.044 1.00 0.00 H new ATOM 0 HB2 SER A 66 10.384 -16.330 1.629 1.00 0.00 H new ATOM 0 HB3 SER A 66 10.942 -15.151 2.799 1.00 0.00 H new ATOM 0 HG SER A 66 11.767 -17.273 3.231 1.00 0.00 H new ATOM 995 N ILE A 67 7.283 -15.118 1.316 1.00 0.00 N ATOM 996 CA ILE A 67 6.659 -14.242 0.331 1.00 0.00 C ATOM 997 C ILE A 67 5.139 -14.229 0.486 1.00 0.00 C ATOM 998 O ILE A 67 4.542 -15.215 0.919 1.00 0.00 O ATOM 999 CB ILE A 67 7.025 -14.665 -1.107 1.00 0.00 C ATOM 1000 CG1 ILE A 67 6.631 -13.572 -2.102 1.00 0.00 C ATOM 1001 CG2 ILE A 67 6.355 -15.983 -1.468 1.00 0.00 C ATOM 1002 CD1 ILE A 67 7.502 -13.541 -3.339 1.00 0.00 C ATOM 0 H ILE A 67 6.869 -16.048 1.377 1.00 0.00 H new ATOM 0 HA ILE A 67 7.041 -13.237 0.511 1.00 0.00 H new ATOM 0 HB ILE A 67 8.105 -14.807 -1.158 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.593 -13.721 -2.401 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.684 -12.603 -1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 67 6.627 -16.262 -2.486 1.00 0.00 H new ATOM 0 HG22 ILE A 67 6.685 -16.760 -0.778 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.273 -15.872 -1.399 1.00 0.00 H new ATOM 0 HD11 ILE A 67 7.166 -12.742 -4.000 1.00 0.00 H new ATOM 0 HD12 ILE A 67 8.538 -13.362 -3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.430 -14.497 -3.858 1.00 0.00 H new ATOM 1014 N ASN A 68 4.522 -13.104 0.138 1.00 0.00 N ATOM 1015 CA ASN A 68 3.072 -12.961 0.243 1.00 0.00 C ATOM 1016 C ASN A 68 2.431 -12.844 -1.135 1.00 0.00 C ATOM 1017 O ASN A 68 3.082 -13.072 -2.154 1.00 0.00 O ATOM 1018 CB ASN A 68 2.719 -11.738 1.090 1.00 0.00 C ATOM 1019 CG ASN A 68 2.354 -12.107 2.514 1.00 0.00 C ATOM 1020 OD1 ASN A 68 2.417 -13.273 2.901 1.00 0.00 O ATOM 1021 ND2 ASN A 68 1.971 -11.111 3.301 1.00 0.00 N ATOM 0 H ASN A 68 5.002 -12.278 -0.219 1.00 0.00 H new ATOM 0 HA ASN A 68 2.680 -13.855 0.728 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.565 -11.051 1.101 1.00 0.00 H new ATOM 0 HB3 ASN A 68 1.885 -11.209 0.629 1.00 0.00 H new ATOM 0 HD21 ASN A 68 1.714 -11.297 4.270 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.934 -10.159 2.937 1.00 0.00 H new ATOM 1028 N ASN A 69 1.146 -12.502 -1.158 1.00 0.00 N ATOM 1029 CA ASN A 69 0.406 -12.382 -2.410 1.00 0.00 C ATOM 1030 C ASN A 69 0.815 -11.137 -3.197 1.00 0.00 C ATOM 1031 O ASN A 69 1.177 -11.235 -4.370 1.00 0.00 O ATOM 1032 CB ASN A 69 -1.099 -12.362 -2.138 1.00 0.00 C ATOM 1033 CG ASN A 69 -1.502 -11.254 -1.188 1.00 0.00 C ATOM 1034 OD1 ASN A 69 -1.389 -11.393 0.030 1.00 0.00 O ATOM 1035 ND2 ASN A 69 -1.974 -10.146 -1.743 1.00 0.00 N ATOM 0 H ASN A 69 0.595 -12.303 -0.323 1.00 0.00 H new ATOM 0 HA ASN A 69 0.651 -13.253 -3.019 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -1.634 -12.241 -3.080 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -1.402 -13.322 -1.721 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -2.261 -9.364 -1.155 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -2.050 -10.076 -2.758 1.00 0.00 H new ATOM 1042 N ILE A 70 0.733 -9.965 -2.563 1.00 0.00 N ATOM 1043 CA ILE A 70 1.072 -8.714 -3.243 1.00 0.00 C ATOM 1044 C ILE A 70 2.501 -8.734 -3.799 1.00 0.00 C ATOM 1045 O ILE A 70 2.716 -8.410 -4.966 1.00 0.00 O ATOM 1046 CB ILE A 70 0.912 -7.469 -2.337 1.00 0.00 C ATOM 1047 CG1 ILE A 70 -0.430 -7.484 -1.577 1.00 0.00 C ATOM 1048 CG2 ILE A 70 1.047 -6.209 -3.183 1.00 0.00 C ATOM 1049 CD1 ILE A 70 -1.323 -6.288 -1.859 1.00 0.00 C ATOM 0 H ILE A 70 0.439 -9.856 -1.592 1.00 0.00 H new ATOM 0 HA ILE A 70 0.359 -8.638 -4.064 1.00 0.00 H new ATOM 0 HB ILE A 70 1.700 -7.484 -1.584 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -0.970 -8.395 -1.836 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -0.227 -7.527 -0.507 1.00 0.00 H new ATOM 0 HG21 ILE A 70 0.935 -5.330 -2.548 1.00 0.00 H new ATOM 0 HG22 ILE A 70 2.029 -6.192 -3.656 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.274 -6.202 -3.951 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -2.245 -6.379 -1.284 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -0.806 -5.372 -1.573 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -1.560 -6.254 -2.922 1.00 0.00 H new ATOM 1061 N PRO A 71 3.508 -9.084 -2.971 1.00 0.00 N ATOM 1062 CA PRO A 71 4.914 -9.106 -3.404 1.00 0.00 C ATOM 1063 C PRO A 71 5.175 -10.116 -4.515 1.00 0.00 C ATOM 1064 O PRO A 71 5.920 -9.837 -5.454 1.00 0.00 O ATOM 1065 CB PRO A 71 5.677 -9.502 -2.137 1.00 0.00 C ATOM 1066 CG PRO A 71 4.666 -10.177 -1.279 1.00 0.00 C ATOM 1067 CD PRO A 71 3.370 -9.477 -1.557 1.00 0.00 C ATOM 0 HA PRO A 71 5.217 -8.145 -3.820 1.00 0.00 H new ATOM 0 HB2 PRO A 71 6.508 -10.168 -2.368 1.00 0.00 H new ATOM 0 HB3 PRO A 71 6.098 -8.628 -1.639 1.00 0.00 H new ATOM 0 HG2 PRO A 71 4.597 -11.239 -1.516 1.00 0.00 H new ATOM 0 HG3 PRO A 71 4.934 -10.102 -0.225 1.00 0.00 H new ATOM 0 HD2 PRO A 71 2.514 -10.134 -1.401 1.00 0.00 H new ATOM 0 HD3 PRO A 71 3.230 -8.612 -0.909 1.00 0.00 H new ATOM 1075 N LEU A 72 4.574 -11.295 -4.395 1.00 0.00 N ATOM 1076 CA LEU A 72 4.755 -12.350 -5.385 1.00 0.00 C ATOM 1077 C LEU A 72 4.289 -11.895 -6.763 1.00 0.00 C ATOM 1078 O LEU A 72 4.754 -12.401 -7.785 1.00 0.00 O ATOM 1079 CB LEU A 72 3.987 -13.605 -4.969 1.00 0.00 C ATOM 1080 CG LEU A 72 4.242 -14.839 -5.836 1.00 0.00 C ATOM 1081 CD1 LEU A 72 4.831 -15.966 -5.002 1.00 0.00 C ATOM 1082 CD2 LEU A 72 2.957 -15.288 -6.514 1.00 0.00 C ATOM 0 H LEU A 72 3.957 -11.544 -3.622 1.00 0.00 H new ATOM 0 HA LEU A 72 5.819 -12.580 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 72 4.245 -13.845 -3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.920 -13.382 -4.987 1.00 0.00 H new ATOM 0 HG LEU A 72 4.963 -14.574 -6.609 1.00 0.00 H new ATOM 0 HD11 LEU A 72 5.005 -16.835 -5.636 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.775 -15.640 -4.565 1.00 0.00 H new ATOM 0 HD13 LEU A 72 4.135 -16.231 -4.206 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.157 -16.167 -7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.213 -15.535 -5.757 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.579 -14.484 -7.145 1.00 0.00 H new ATOM 1094 N ASP A 73 3.367 -10.940 -6.783 1.00 0.00 N ATOM 1095 CA ASP A 73 2.827 -10.424 -8.034 1.00 0.00 C ATOM 1096 C ASP A 73 3.857 -9.574 -8.770 1.00 0.00 C ATOM 1097 O ASP A 73 4.256 -9.896 -9.890 1.00 0.00 O ATOM 1098 CB ASP A 73 1.569 -9.597 -7.763 1.00 0.00 C ATOM 1099 CG ASP A 73 0.303 -10.431 -7.818 1.00 0.00 C ATOM 1100 OD1 ASP A 73 0.408 -11.675 -7.794 1.00 0.00 O ATOM 1101 OD2 ASP A 73 -0.795 -9.839 -7.881 1.00 0.00 O ATOM 0 H ASP A 73 2.978 -10.507 -5.946 1.00 0.00 H new ATOM 0 HA ASP A 73 2.571 -11.274 -8.666 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.650 -9.129 -6.782 1.00 0.00 H new ATOM 0 HB3 ASP A 73 1.502 -8.792 -8.495 1.00 0.00 H new ATOM 1106 N ALA A 74 4.279 -8.484 -8.138 1.00 0.00 N ATOM 1107 CA ALA A 74 5.253 -7.583 -8.741 1.00 0.00 C ATOM 1108 C ALA A 74 6.572 -8.301 -9.016 1.00 0.00 C ATOM 1109 O ALA A 74 7.212 -8.071 -10.040 1.00 0.00 O ATOM 1110 CB ALA A 74 5.485 -6.378 -7.845 1.00 0.00 C ATOM 0 H ALA A 74 3.962 -8.204 -7.210 1.00 0.00 H new ATOM 0 HA ALA A 74 4.850 -7.241 -9.694 1.00 0.00 H new ATOM 0 HB1 ALA A 74 6.215 -5.715 -8.309 1.00 0.00 H new ATOM 0 HB2 ALA A 74 4.546 -5.843 -7.705 1.00 0.00 H new ATOM 0 HB3 ALA A 74 5.861 -6.711 -6.878 1.00 0.00 H new ATOM 1116 N ARG A 75 6.972 -9.171 -8.093 1.00 0.00 N ATOM 1117 CA ARG A 75 8.214 -9.921 -8.238 1.00 0.00 C ATOM 1118 C ARG A 75 8.140 -10.873 -9.427 1.00 0.00 C ATOM 1119 O ARG A 75 9.160 -11.212 -10.027 1.00 0.00 O ATOM 1120 CB ARG A 75 8.513 -10.708 -6.960 1.00 0.00 C ATOM 1121 CG ARG A 75 9.781 -10.259 -6.252 1.00 0.00 C ATOM 1122 CD ARG A 75 10.850 -11.341 -6.284 1.00 0.00 C ATOM 1123 NE ARG A 75 10.828 -12.168 -5.081 1.00 0.00 N ATOM 1124 CZ ARG A 75 11.919 -12.684 -4.519 1.00 0.00 C ATOM 1125 NH1 ARG A 75 13.113 -12.457 -5.050 1.00 0.00 N ATOM 1126 NH2 ARG A 75 11.814 -13.426 -3.425 1.00 0.00 N ATOM 0 H ARG A 75 6.454 -9.373 -7.238 1.00 0.00 H new ATOM 0 HA ARG A 75 9.019 -9.208 -8.415 1.00 0.00 H new ATOM 0 HB2 ARG A 75 7.670 -10.608 -6.276 1.00 0.00 H new ATOM 0 HB3 ARG A 75 8.600 -11.766 -7.207 1.00 0.00 H new ATOM 0 HG2 ARG A 75 10.163 -9.355 -6.726 1.00 0.00 H new ATOM 0 HG3 ARG A 75 9.551 -10.004 -5.218 1.00 0.00 H new ATOM 0 HD2 ARG A 75 10.701 -11.972 -7.160 1.00 0.00 H new ATOM 0 HD3 ARG A 75 11.831 -10.878 -6.388 1.00 0.00 H new ATOM 0 HE ARG A 75 9.926 -12.361 -4.647 1.00 0.00 H new ATOM 0 HH11 ARG A 75 13.197 -11.886 -5.891 1.00 0.00 H new ATOM 0 HH12 ARG A 75 13.947 -12.854 -4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 75 10.897 -13.602 -3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 75 12.650 -13.821 -2.995 1.00 0.00 H new ATOM 1140 N ASN A 76 6.926 -11.304 -9.760 1.00 0.00 N ATOM 1141 CA ASN A 76 6.718 -12.218 -10.877 1.00 0.00 C ATOM 1142 C ASN A 76 7.143 -11.573 -12.192 1.00 0.00 C ATOM 1143 O ASN A 76 8.134 -11.977 -12.800 1.00 0.00 O ATOM 1144 CB ASN A 76 5.249 -12.641 -10.952 1.00 0.00 C ATOM 1145 CG ASN A 76 5.058 -13.947 -11.698 1.00 0.00 C ATOM 1146 OD1 ASN A 76 5.963 -14.779 -11.761 1.00 0.00 O ATOM 1147 ND2 ASN A 76 3.873 -14.135 -12.268 1.00 0.00 N ATOM 0 H ASN A 76 6.072 -11.034 -9.272 1.00 0.00 H new ATOM 0 HA ASN A 76 7.334 -13.102 -10.711 1.00 0.00 H new ATOM 0 HB2 ASN A 76 4.851 -12.742 -9.942 1.00 0.00 H new ATOM 0 HB3 ASN A 76 4.673 -11.857 -11.445 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.685 -14.995 -12.783 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.151 -13.419 -12.191 1.00 0.00 H new ATOM 1154 N HIS A 77 6.386 -10.569 -12.624 1.00 0.00 N ATOM 1155 CA HIS A 77 6.687 -9.865 -13.865 1.00 0.00 C ATOM 1156 C HIS A 77 7.920 -8.981 -13.705 1.00 0.00 C ATOM 1157 O HIS A 77 8.496 -8.518 -14.689 1.00 0.00 O ATOM 1158 CB HIS A 77 5.491 -9.016 -14.298 1.00 0.00 C ATOM 1159 CG HIS A 77 4.875 -9.462 -15.589 1.00 0.00 C ATOM 1160 ND1 HIS A 77 5.009 -8.721 -16.739 1.00 0.00 N ATOM 1161 CD2 HIS A 77 4.138 -10.568 -15.855 1.00 0.00 C ATOM 1162 CE1 HIS A 77 4.356 -9.388 -17.675 1.00 0.00 C ATOM 1163 NE2 HIS A 77 3.813 -10.511 -17.186 1.00 0.00 N ATOM 0 H HIS A 77 5.561 -10.225 -12.133 1.00 0.00 H new ATOM 0 HA HIS A 77 6.893 -10.610 -14.634 1.00 0.00 H new ATOM 0 HB2 HIS A 77 4.733 -9.044 -13.515 1.00 0.00 H new ATOM 0 HB3 HIS A 77 5.809 -7.978 -14.396 1.00 0.00 H new ATOM 0 HD2 HIS A 77 3.861 -11.343 -15.155 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.271 -9.068 -18.703 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.262 -11.194 -17.706 1.00 0.00 H new ATOM 1171 N GLY A 78 8.318 -8.751 -12.457 1.00 0.00 N ATOM 1172 CA GLY A 78 9.478 -7.922 -12.188 1.00 0.00 C ATOM 1173 C GLY A 78 9.228 -6.458 -12.493 1.00 0.00 C ATOM 1174 O GLY A 78 9.350 -6.027 -13.640 1.00 0.00 O ATOM 0 H GLY A 78 7.857 -9.125 -11.627 1.00 0.00 H new ATOM 0 HA2 GLY A 78 9.762 -8.028 -11.141 1.00 0.00 H new ATOM 0 HA3 GLY A 78 10.319 -8.276 -12.784 1.00 0.00 H new ATOM 1178 N TYR A 79 8.878 -5.691 -11.465 1.00 0.00 N ATOM 1179 CA TYR A 79 8.615 -4.266 -11.631 1.00 0.00 C ATOM 1180 C TYR A 79 9.915 -3.466 -11.609 1.00 0.00 C ATOM 1181 O TYR A 79 10.617 -3.382 -12.616 1.00 0.00 O ATOM 1182 CB TYR A 79 7.660 -3.765 -10.542 1.00 0.00 C ATOM 1183 CG TYR A 79 7.066 -2.406 -10.838 1.00 0.00 C ATOM 1184 CD1 TYR A 79 6.139 -2.240 -11.860 1.00 0.00 C ATOM 1185 CD2 TYR A 79 7.438 -1.290 -10.101 1.00 0.00 C ATOM 1186 CE1 TYR A 79 5.598 -0.999 -12.135 1.00 0.00 C ATOM 1187 CE2 TYR A 79 6.901 -0.047 -10.370 1.00 0.00 C ATOM 1188 CZ TYR A 79 5.982 0.094 -11.387 1.00 0.00 C ATOM 1189 OH TYR A 79 5.444 1.330 -11.656 1.00 0.00 O ATOM 0 H TYR A 79 8.770 -6.032 -10.510 1.00 0.00 H new ATOM 0 HA TYR A 79 8.142 -4.120 -12.602 1.00 0.00 H new ATOM 0 HB2 TYR A 79 6.852 -4.486 -10.418 1.00 0.00 H new ATOM 0 HB3 TYR A 79 8.195 -3.720 -9.593 1.00 0.00 H new ATOM 0 HD1 TYR A 79 5.837 -3.094 -12.448 1.00 0.00 H new ATOM 0 HD2 TYR A 79 8.159 -1.396 -9.304 1.00 0.00 H new ATOM 0 HE1 TYR A 79 4.878 -0.885 -12.932 1.00 0.00 H new ATOM 0 HE2 TYR A 79 7.200 0.811 -9.786 1.00 0.00 H new ATOM 0 HH TYR A 79 6.136 1.913 -12.032 1.00 0.00 H new ATOM 1199 N THR A 80 10.231 -2.884 -10.457 1.00 0.00 N ATOM 1200 CA THR A 80 11.451 -2.098 -10.307 1.00 0.00 C ATOM 1201 C THR A 80 12.134 -2.403 -8.980 1.00 0.00 C ATOM 1202 O THR A 80 13.120 -3.141 -8.933 1.00 0.00 O ATOM 1203 CB THR A 80 11.137 -0.603 -10.401 1.00 0.00 C ATOM 1204 OG1 THR A 80 10.101 -0.368 -11.338 1.00 0.00 O ATOM 1205 CG2 THR A 80 12.328 0.233 -10.813 1.00 0.00 C ATOM 0 H THR A 80 9.660 -2.941 -9.614 1.00 0.00 H new ATOM 0 HA THR A 80 12.129 -2.370 -11.116 1.00 0.00 H new ATOM 0 HB THR A 80 10.836 -0.306 -9.396 1.00 0.00 H new ATOM 0 HG1 THR A 80 9.232 -0.507 -10.907 1.00 0.00 H new ATOM 0 HG21 THR A 80 12.037 1.282 -10.860 1.00 0.00 H new ATOM 0 HG22 THR A 80 13.128 0.111 -10.083 1.00 0.00 H new ATOM 0 HG23 THR A 80 12.678 -0.091 -11.793 1.00 0.00 H new ATOM 1213 N VAL A 81 11.604 -1.836 -7.900 1.00 0.00 N ATOM 1214 CA VAL A 81 12.166 -2.050 -6.574 1.00 0.00 C ATOM 1215 C VAL A 81 11.240 -2.905 -5.714 1.00 0.00 C ATOM 1216 O VAL A 81 10.144 -2.482 -5.356 1.00 0.00 O ATOM 1217 CB VAL A 81 12.436 -0.715 -5.853 1.00 0.00 C ATOM 1218 CG1 VAL A 81 13.171 -0.953 -4.542 1.00 0.00 C ATOM 1219 CG2 VAL A 81 13.224 0.227 -6.750 1.00 0.00 C ATOM 0 H VAL A 81 10.787 -1.226 -7.919 1.00 0.00 H new ATOM 0 HA VAL A 81 13.112 -2.574 -6.714 1.00 0.00 H new ATOM 0 HB VAL A 81 11.478 -0.247 -5.626 1.00 0.00 H new ATOM 0 HG11 VAL A 81 13.352 0.002 -4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 81 12.565 -1.587 -3.895 1.00 0.00 H new ATOM 0 HG13 VAL A 81 14.123 -1.444 -4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 81 13.405 1.164 -6.224 1.00 0.00 H new ATOM 0 HG22 VAL A 81 14.177 -0.232 -7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 81 12.655 0.425 -7.659 1.00 0.00 H new ATOM 1229 N LEU A 82 11.704 -4.103 -5.375 1.00 0.00 N ATOM 1230 CA LEU A 82 10.937 -5.026 -4.548 1.00 0.00 C ATOM 1231 C LEU A 82 11.735 -5.415 -3.307 1.00 0.00 C ATOM 1232 O LEU A 82 12.650 -6.235 -3.378 1.00 0.00 O ATOM 1233 CB LEU A 82 10.577 -6.285 -5.351 1.00 0.00 C ATOM 1234 CG LEU A 82 9.080 -6.504 -5.601 1.00 0.00 C ATOM 1235 CD1 LEU A 82 8.339 -6.687 -4.285 1.00 0.00 C ATOM 1236 CD2 LEU A 82 8.495 -5.345 -6.393 1.00 0.00 C ATOM 0 H LEU A 82 12.615 -4.459 -5.663 1.00 0.00 H new ATOM 0 HA LEU A 82 10.019 -4.529 -4.236 1.00 0.00 H new ATOM 0 HB2 LEU A 82 11.085 -6.238 -6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 82 10.971 -7.155 -4.825 1.00 0.00 H new ATOM 0 HG LEU A 82 8.959 -7.414 -6.189 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.278 -6.841 -4.483 1.00 0.00 H new ATOM 0 HD12 LEU A 82 8.740 -7.554 -3.759 1.00 0.00 H new ATOM 0 HD13 LEU A 82 8.467 -5.797 -3.668 1.00 0.00 H new ATOM 0 HD21 LEU A 82 7.432 -5.519 -6.560 1.00 0.00 H new ATOM 0 HD22 LEU A 82 8.628 -4.419 -5.834 1.00 0.00 H new ATOM 0 HD23 LEU A 82 9.005 -5.266 -7.353 1.00 0.00 H new ATOM 1248 N ASP A 83 11.397 -4.803 -2.175 1.00 0.00 N ATOM 1249 CA ASP A 83 12.090 -5.076 -0.920 1.00 0.00 C ATOM 1250 C ASP A 83 11.105 -5.525 0.150 1.00 0.00 C ATOM 1251 O ASP A 83 9.906 -5.266 0.049 1.00 0.00 O ATOM 1252 CB ASP A 83 12.843 -3.831 -0.448 1.00 0.00 C ATOM 1253 CG ASP A 83 14.308 -3.856 -0.836 1.00 0.00 C ATOM 1254 OD1 ASP A 83 14.621 -4.349 -1.942 1.00 0.00 O ATOM 1255 OD2 ASP A 83 15.143 -3.382 -0.038 1.00 0.00 O ATOM 0 H ASP A 83 10.648 -4.115 -2.101 1.00 0.00 H new ATOM 0 HA ASP A 83 12.806 -5.879 -1.092 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.373 -2.944 -0.872 1.00 0.00 H new ATOM 0 HB3 ASP A 83 12.759 -3.749 0.636 1.00 0.00 H new ATOM 1260 N ILE A 84 11.610 -6.213 1.169 1.00 0.00 N ATOM 1261 CA ILE A 84 10.758 -6.715 2.242 1.00 0.00 C ATOM 1262 C ILE A 84 11.439 -6.607 3.602 1.00 0.00 C ATOM 1263 O ILE A 84 12.643 -6.360 3.691 1.00 0.00 O ATOM 1264 CB ILE A 84 10.358 -8.182 1.998 1.00 0.00 C ATOM 1265 CG1 ILE A 84 11.581 -9.094 2.096 1.00 0.00 C ATOM 1266 CG2 ILE A 84 9.687 -8.330 0.641 1.00 0.00 C ATOM 1267 CD1 ILE A 84 11.237 -10.566 2.173 1.00 0.00 C ATOM 0 H ILE A 84 12.600 -6.435 1.275 1.00 0.00 H new ATOM 0 HA ILE A 84 9.864 -6.091 2.244 1.00 0.00 H new ATOM 0 HB ILE A 84 9.646 -8.480 2.768 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.220 -8.924 1.230 1.00 0.00 H new ATOM 0 HG13 ILE A 84 12.159 -8.818 2.978 1.00 0.00 H new ATOM 0 HG21 ILE A 84 9.410 -9.373 0.484 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.792 -7.708 0.608 1.00 0.00 H new ATOM 0 HG23 ILE A 84 10.377 -8.016 -0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 84 12.154 -11.151 2.240 1.00 0.00 H new ATOM 0 HD12 ILE A 84 10.623 -10.751 3.055 1.00 0.00 H new ATOM 0 HD13 ILE A 84 10.685 -10.858 1.279 1.00 0.00 H new ATOM 1279 N GLN A 85 10.656 -6.807 4.657 1.00 0.00 N ATOM 1280 CA GLN A 85 11.164 -6.750 6.021 1.00 0.00 C ATOM 1281 C GLN A 85 10.326 -7.633 6.940 1.00 0.00 C ATOM 1282 O GLN A 85 9.163 -7.913 6.651 1.00 0.00 O ATOM 1283 CB GLN A 85 11.155 -5.308 6.534 1.00 0.00 C ATOM 1284 CG GLN A 85 12.405 -4.524 6.170 1.00 0.00 C ATOM 1285 CD GLN A 85 12.102 -3.093 5.771 1.00 0.00 C ATOM 1286 OE1 GLN A 85 11.139 -2.827 5.053 1.00 0.00 O ATOM 1287 NE2 GLN A 85 12.927 -2.162 6.238 1.00 0.00 N ATOM 0 H GLN A 85 9.659 -7.012 4.591 1.00 0.00 H new ATOM 0 HA GLN A 85 12.190 -7.118 6.020 1.00 0.00 H new ATOM 0 HB2 GLN A 85 10.283 -4.793 6.130 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.046 -5.318 7.618 1.00 0.00 H new ATOM 0 HG2 GLN A 85 13.089 -4.523 7.019 1.00 0.00 H new ATOM 0 HG3 GLN A 85 12.917 -5.025 5.349 1.00 0.00 H new ATOM 0 HE21 GLN A 85 13.713 -2.428 6.831 1.00 0.00 H new ATOM 0 HE22 GLN A 85 12.774 -1.181 6.004 1.00 0.00 H new ATOM 1296 N GLN A 86 10.922 -8.075 8.040 1.00 0.00 N ATOM 1297 CA GLN A 86 10.224 -8.929 8.995 1.00 0.00 C ATOM 1298 C GLN A 86 10.483 -8.468 10.425 1.00 0.00 C ATOM 1299 O GLN A 86 11.591 -8.047 10.760 1.00 0.00 O ATOM 1300 CB GLN A 86 10.660 -10.387 8.829 1.00 0.00 C ATOM 1301 CG GLN A 86 12.039 -10.550 8.208 1.00 0.00 C ATOM 1302 CD GLN A 86 13.144 -10.608 9.245 1.00 0.00 C ATOM 1303 OE1 GLN A 86 12.884 -10.624 10.447 1.00 0.00 O ATOM 1304 NE2 GLN A 86 14.389 -10.643 8.781 1.00 0.00 N ATOM 0 H GLN A 86 11.886 -7.857 8.294 1.00 0.00 H new ATOM 0 HA GLN A 86 9.155 -8.855 8.795 1.00 0.00 H new ATOM 0 HB2 GLN A 86 10.652 -10.872 9.805 1.00 0.00 H new ATOM 0 HB3 GLN A 86 9.929 -10.906 8.209 1.00 0.00 H new ATOM 0 HG2 GLN A 86 12.059 -11.461 7.611 1.00 0.00 H new ATOM 0 HG3 GLN A 86 12.227 -9.719 7.528 1.00 0.00 H new ATOM 0 HE21 GLN A 86 14.559 -10.628 7.775 1.00 0.00 H new ATOM 0 HE22 GLN A 86 15.174 -10.685 9.431 1.00 0.00 H new ATOM 1313 N ASP A 87 9.454 -8.545 11.265 1.00 0.00 N ATOM 1314 CA ASP A 87 9.578 -8.136 12.660 1.00 0.00 C ATOM 1315 C ASP A 87 9.528 -9.345 13.586 1.00 0.00 C ATOM 1316 O ASP A 87 10.561 -9.822 14.057 1.00 0.00 O ATOM 1317 CB ASP A 87 8.467 -7.148 13.026 1.00 0.00 C ATOM 1318 CG ASP A 87 8.568 -5.850 12.249 1.00 0.00 C ATOM 1319 OD1 ASP A 87 9.705 -5.407 11.978 1.00 0.00 O ATOM 1320 OD2 ASP A 87 7.512 -5.275 11.913 1.00 0.00 O ATOM 0 H ASP A 87 8.528 -8.886 11.005 1.00 0.00 H new ATOM 0 HA ASP A 87 10.543 -7.646 12.785 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.498 -7.608 12.834 1.00 0.00 H new ATOM 0 HB3 ASP A 87 8.513 -6.934 14.094 1.00 0.00 H new ATOM 1325 N GLY A 88 8.321 -9.836 13.842 1.00 0.00 N ATOM 1326 CA GLY A 88 8.153 -10.992 14.700 1.00 0.00 C ATOM 1327 C GLY A 88 7.136 -11.970 14.146 1.00 0.00 C ATOM 1328 O GLY A 88 7.461 -12.774 13.272 1.00 0.00 O ATOM 0 H GLY A 88 7.453 -9.452 13.469 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.112 -11.496 14.820 1.00 0.00 H new ATOM 0 HA3 GLY A 88 7.838 -10.665 15.691 1.00 0.00 H new ATOM 1332 N PRO A 89 5.880 -11.913 14.621 1.00 0.00 N ATOM 1333 CA PRO A 89 4.819 -12.797 14.147 1.00 0.00 C ATOM 1334 C PRO A 89 4.172 -12.286 12.863 1.00 0.00 C ATOM 1335 O PRO A 89 3.172 -12.835 12.401 1.00 0.00 O ATOM 1336 CB PRO A 89 3.819 -12.766 15.299 1.00 0.00 C ATOM 1337 CG PRO A 89 3.957 -11.397 15.873 1.00 0.00 C ATOM 1338 CD PRO A 89 5.394 -10.984 15.661 1.00 0.00 C ATOM 0 HA PRO A 89 5.185 -13.794 13.900 1.00 0.00 H new ATOM 0 HB2 PRO A 89 2.803 -12.949 14.949 1.00 0.00 H new ATOM 0 HB3 PRO A 89 4.044 -13.532 16.041 1.00 0.00 H new ATOM 0 HG2 PRO A 89 3.277 -10.701 15.382 1.00 0.00 H new ATOM 0 HG3 PRO A 89 3.705 -11.394 16.934 1.00 0.00 H new ATOM 0 HD2 PRO A 89 5.468 -9.946 15.336 1.00 0.00 H new ATOM 0 HD3 PRO A 89 5.975 -11.073 16.579 1.00 0.00 H new ATOM 1346 N THR A 90 4.743 -11.224 12.298 1.00 0.00 N ATOM 1347 CA THR A 90 4.214 -10.637 11.070 1.00 0.00 C ATOM 1348 C THR A 90 5.336 -10.309 10.089 1.00 0.00 C ATOM 1349 O THR A 90 6.518 -10.399 10.423 1.00 0.00 O ATOM 1350 CB THR A 90 3.416 -9.370 11.384 1.00 0.00 C ATOM 1351 OG1 THR A 90 4.274 -8.336 11.836 1.00 0.00 O ATOM 1352 CG2 THR A 90 2.348 -9.575 12.437 1.00 0.00 C ATOM 0 H THR A 90 5.569 -10.754 12.670 1.00 0.00 H new ATOM 0 HA THR A 90 3.554 -11.371 10.608 1.00 0.00 H new ATOM 0 HB THR A 90 2.928 -9.099 10.448 1.00 0.00 H new ATOM 0 HG1 THR A 90 3.746 -7.534 12.030 1.00 0.00 H new ATOM 0 HG21 THR A 90 1.822 -8.636 12.609 1.00 0.00 H new ATOM 0 HG22 THR A 90 1.640 -10.330 12.095 1.00 0.00 H new ATOM 0 HG23 THR A 90 2.812 -9.907 13.366 1.00 0.00 H new ATOM 1360 N ILE A 91 4.950 -9.920 8.877 1.00 0.00 N ATOM 1361 CA ILE A 91 5.912 -9.578 7.836 1.00 0.00 C ATOM 1362 C ILE A 91 5.357 -8.490 6.918 1.00 0.00 C ATOM 1363 O ILE A 91 4.156 -8.443 6.653 1.00 0.00 O ATOM 1364 CB ILE A 91 6.290 -10.816 6.998 1.00 0.00 C ATOM 1365 CG1 ILE A 91 7.249 -10.428 5.870 1.00 0.00 C ATOM 1366 CG2 ILE A 91 5.040 -11.482 6.440 1.00 0.00 C ATOM 1367 CD1 ILE A 91 8.224 -11.522 5.497 1.00 0.00 C ATOM 0 H ILE A 91 3.974 -9.834 8.592 1.00 0.00 H new ATOM 0 HA ILE A 91 6.808 -9.203 8.332 1.00 0.00 H new ATOM 0 HB ILE A 91 6.798 -11.531 7.645 1.00 0.00 H new ATOM 0 HG12 ILE A 91 6.668 -10.156 4.989 1.00 0.00 H new ATOM 0 HG13 ILE A 91 7.808 -9.542 6.170 1.00 0.00 H new ATOM 0 HG21 ILE A 91 5.324 -12.354 5.851 1.00 0.00 H new ATOM 0 HG22 ILE A 91 4.396 -11.794 7.262 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.503 -10.776 5.807 1.00 0.00 H new ATOM 0 HD11 ILE A 91 8.871 -11.174 4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 91 8.832 -11.779 6.365 1.00 0.00 H new ATOM 0 HD13 ILE A 91 7.674 -12.403 5.166 1.00 0.00 H new ATOM 1379 N ARG A 92 6.238 -7.612 6.442 1.00 0.00 N ATOM 1380 CA ARG A 92 5.827 -6.516 5.571 1.00 0.00 C ATOM 1381 C ARG A 92 6.591 -6.537 4.248 1.00 0.00 C ATOM 1382 O ARG A 92 7.754 -6.935 4.193 1.00 0.00 O ATOM 1383 CB ARG A 92 6.031 -5.170 6.278 1.00 0.00 C ATOM 1384 CG ARG A 92 7.399 -4.546 6.042 1.00 0.00 C ATOM 1385 CD ARG A 92 7.626 -3.343 6.944 1.00 0.00 C ATOM 1386 NE ARG A 92 6.725 -2.240 6.622 1.00 0.00 N ATOM 1387 CZ ARG A 92 6.563 -1.170 7.396 1.00 0.00 C ATOM 1388 NH1 ARG A 92 7.239 -1.058 8.532 1.00 0.00 N ATOM 1389 NH2 ARG A 92 5.723 -0.210 7.031 1.00 0.00 N ATOM 0 H ARG A 92 7.237 -7.639 6.645 1.00 0.00 H new ATOM 0 HA ARG A 92 4.768 -6.646 5.349 1.00 0.00 H new ATOM 0 HB2 ARG A 92 5.263 -4.474 5.940 1.00 0.00 H new ATOM 0 HB3 ARG A 92 5.887 -5.309 7.349 1.00 0.00 H new ATOM 0 HG2 ARG A 92 8.175 -5.289 6.223 1.00 0.00 H new ATOM 0 HG3 ARG A 92 7.486 -4.242 4.999 1.00 0.00 H new ATOM 0 HD2 ARG A 92 7.482 -3.637 7.984 1.00 0.00 H new ATOM 0 HD3 ARG A 92 8.659 -3.007 6.848 1.00 0.00 H new ATOM 0 HE ARG A 92 6.190 -2.293 5.755 1.00 0.00 H new ATOM 0 HH11 ARG A 92 7.886 -1.794 8.815 1.00 0.00 H new ATOM 0 HH12 ARG A 92 7.112 -0.236 9.122 1.00 0.00 H new ATOM 0 HH21 ARG A 92 5.202 -0.293 6.158 1.00 0.00 H new ATOM 0 HH22 ARG A 92 5.598 0.611 7.624 1.00 0.00 H new ATOM 1403 N TYR A 93 5.919 -6.101 3.187 1.00 0.00 N ATOM 1404 CA TYR A 93 6.514 -6.051 1.856 1.00 0.00 C ATOM 1405 C TYR A 93 6.254 -4.686 1.223 1.00 0.00 C ATOM 1406 O TYR A 93 5.126 -4.196 1.239 1.00 0.00 O ATOM 1407 CB TYR A 93 5.936 -7.162 0.969 1.00 0.00 C ATOM 1408 CG TYR A 93 5.865 -8.518 1.644 1.00 0.00 C ATOM 1409 CD1 TYR A 93 4.922 -8.779 2.632 1.00 0.00 C ATOM 1410 CD2 TYR A 93 6.728 -9.542 1.281 1.00 0.00 C ATOM 1411 CE1 TYR A 93 4.858 -10.013 3.251 1.00 0.00 C ATOM 1412 CE2 TYR A 93 6.666 -10.782 1.888 1.00 0.00 C ATOM 1413 CZ TYR A 93 5.727 -11.013 2.871 1.00 0.00 C ATOM 1414 OH TYR A 93 5.663 -12.244 3.480 1.00 0.00 O ATOM 0 H TYR A 93 4.953 -5.775 3.225 1.00 0.00 H new ATOM 0 HA TYR A 93 7.589 -6.204 1.946 1.00 0.00 H new ATOM 0 HB2 TYR A 93 4.934 -6.874 0.650 1.00 0.00 H new ATOM 0 HB3 TYR A 93 6.545 -7.247 0.069 1.00 0.00 H new ATOM 0 HD1 TYR A 93 4.228 -8.004 2.921 1.00 0.00 H new ATOM 0 HD2 TYR A 93 7.463 -9.367 0.509 1.00 0.00 H new ATOM 0 HE1 TYR A 93 4.131 -10.193 4.029 1.00 0.00 H new ATOM 0 HE2 TYR A 93 7.349 -11.565 1.594 1.00 0.00 H new ATOM 0 HH TYR A 93 6.344 -12.835 3.095 1.00 0.00 H new ATOM 1424 N LEU A 94 7.299 -4.057 0.691 1.00 0.00 N ATOM 1425 CA LEU A 94 7.158 -2.730 0.100 1.00 0.00 C ATOM 1426 C LEU A 94 7.903 -2.615 -1.225 1.00 0.00 C ATOM 1427 O LEU A 94 8.987 -3.173 -1.393 1.00 0.00 O ATOM 1428 CB LEU A 94 7.671 -1.666 1.074 1.00 0.00 C ATOM 1429 CG LEU A 94 8.801 -2.126 1.998 1.00 0.00 C ATOM 1430 CD1 LEU A 94 9.896 -1.073 2.067 1.00 0.00 C ATOM 1431 CD2 LEU A 94 8.263 -2.430 3.388 1.00 0.00 C ATOM 0 H LEU A 94 8.244 -4.440 0.657 1.00 0.00 H new ATOM 0 HA LEU A 94 6.098 -2.570 -0.098 1.00 0.00 H new ATOM 0 HB2 LEU A 94 8.018 -0.807 0.500 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.837 -1.324 1.687 1.00 0.00 H new ATOM 0 HG LEU A 94 9.230 -3.040 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 94 10.691 -1.417 2.729 1.00 0.00 H new ATOM 0 HD12 LEU A 94 10.302 -0.904 1.070 1.00 0.00 H new ATOM 0 HD13 LEU A 94 9.481 -0.142 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 94 9.080 -2.756 4.031 1.00 0.00 H new ATOM 0 HD22 LEU A 94 7.808 -1.532 3.806 1.00 0.00 H new ATOM 0 HD23 LEU A 94 7.515 -3.220 3.324 1.00 0.00 H new ATOM 1443 N ILE A 95 7.317 -1.869 -2.161 1.00 0.00 N ATOM 1444 CA ILE A 95 7.932 -1.644 -3.468 1.00 0.00 C ATOM 1445 C ILE A 95 7.857 -0.165 -3.844 1.00 0.00 C ATOM 1446 O ILE A 95 7.018 0.572 -3.329 1.00 0.00 O ATOM 1447 CB ILE A 95 7.281 -2.515 -4.576 1.00 0.00 C ATOM 1448 CG1 ILE A 95 6.243 -1.720 -5.381 1.00 0.00 C ATOM 1449 CG2 ILE A 95 6.633 -3.750 -3.968 1.00 0.00 C ATOM 1450 CD1 ILE A 95 6.789 -1.132 -6.664 1.00 0.00 C ATOM 0 H ILE A 95 6.415 -1.409 -2.038 1.00 0.00 H new ATOM 0 HA ILE A 95 8.978 -1.942 -3.391 1.00 0.00 H new ATOM 0 HB ILE A 95 8.072 -2.825 -5.259 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.403 -2.373 -5.619 1.00 0.00 H new ATOM 0 HG13 ILE A 95 5.854 -0.914 -4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.181 -4.350 -4.758 1.00 0.00 H new ATOM 0 HG22 ILE A 95 7.389 -4.341 -3.451 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.864 -3.445 -3.259 1.00 0.00 H new ATOM 0 HD11 ILE A 95 5.999 -0.585 -7.179 1.00 0.00 H new ATOM 0 HD12 ILE A 95 7.610 -0.453 -6.433 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.152 -1.934 -7.306 1.00 0.00 H new ATOM 1462 N GLN A 96 8.747 0.268 -4.733 1.00 0.00 N ATOM 1463 CA GLN A 96 8.776 1.663 -5.160 1.00 0.00 C ATOM 1464 C GLN A 96 9.370 1.800 -6.559 1.00 0.00 C ATOM 1465 O GLN A 96 10.122 0.937 -7.012 1.00 0.00 O ATOM 1466 CB GLN A 96 9.589 2.501 -4.169 1.00 0.00 C ATOM 1467 CG GLN A 96 11.057 2.112 -4.102 1.00 0.00 C ATOM 1468 CD GLN A 96 11.984 3.292 -4.315 1.00 0.00 C ATOM 1469 OE1 GLN A 96 12.564 3.456 -5.389 1.00 0.00 O ATOM 1470 NE2 GLN A 96 12.129 4.123 -3.289 1.00 0.00 N ATOM 0 H GLN A 96 9.454 -0.324 -5.169 1.00 0.00 H new ATOM 0 HA GLN A 96 7.749 2.027 -5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 96 9.513 3.552 -4.447 1.00 0.00 H new ATOM 0 HB3 GLN A 96 9.150 2.401 -3.176 1.00 0.00 H new ATOM 0 HG2 GLN A 96 11.266 1.662 -3.132 1.00 0.00 H new ATOM 0 HG3 GLN A 96 11.262 1.353 -4.857 1.00 0.00 H new ATOM 0 HE21 GLN A 96 11.629 3.949 -2.417 1.00 0.00 H new ATOM 0 HE22 GLN A 96 12.740 4.935 -3.373 1.00 0.00 H new ATOM 1479 N LYS A 97 9.037 2.898 -7.232 1.00 0.00 N ATOM 1480 CA LYS A 97 9.547 3.159 -8.574 1.00 0.00 C ATOM 1481 C LYS A 97 10.223 4.526 -8.639 1.00 0.00 C ATOM 1482 O LYS A 97 11.428 4.574 -8.963 1.00 0.00 O ATOM 1483 CB LYS A 97 8.411 3.086 -9.599 1.00 0.00 C ATOM 1484 CG LYS A 97 8.789 3.613 -10.977 1.00 0.00 C ATOM 1485 CD LYS A 97 9.820 2.725 -11.654 1.00 0.00 C ATOM 1486 CE LYS A 97 9.365 2.297 -13.041 1.00 0.00 C ATOM 1487 NZ LYS A 97 9.728 3.299 -14.081 1.00 0.00 N ATOM 1488 OXT LYS A 97 9.541 5.536 -8.365 1.00 0.00 O ATOM 0 H LYS A 97 8.416 3.621 -6.869 1.00 0.00 H new ATOM 0 HA LYS A 97 10.287 2.395 -8.811 1.00 0.00 H new ATOM 0 HB2 LYS A 97 8.086 2.050 -9.694 1.00 0.00 H new ATOM 0 HB3 LYS A 97 7.560 3.654 -9.224 1.00 0.00 H new ATOM 0 HG2 LYS A 97 7.897 3.675 -11.600 1.00 0.00 H new ATOM 0 HG3 LYS A 97 9.184 4.624 -10.884 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.767 3.259 -11.730 1.00 0.00 H new ATOM 0 HD3 LYS A 97 10.000 1.842 -11.041 1.00 0.00 H new ATOM 0 HE2 LYS A 97 9.816 1.336 -13.290 1.00 0.00 H new ATOM 0 HE3 LYS A 97 8.285 2.151 -13.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 9.400 2.969 -15.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.277 4.209 -13.858 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.761 3.420 -14.101 1.00 0.00 H new