USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 547 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 36 CYS SG : rot 3:sc= -23.9! USER MOD Set 1.2: A 62 CYS SG : rot -85:sc= -25.4! USER MOD Single : A 1 GLY N :NH3+ -142:sc= -0.0181 (180deg=-0.559) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -150:sc= -0.607 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 148:sc= -0.168 (180deg=-0.837) USER MOD Single : A 22 MET CE :methyl 144:sc= -0.0788 (180deg=-0.354) USER MOD Single : A 23 HIS : no HD1:sc= -0.156 X(o=-0.16,f=-0.024) USER MOD Single : A 25 THR OG1 : rot 180:sc= -1 USER MOD Single : A 27 SER OG : rot -120:sc= -0.518 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc= 0 K(o=0,f=-0.56) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 GLN : amide:sc= 0.143 X(o=0.14,f=0) USER MOD Single : A 51 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 57 ASN :FLIP amide:sc= -0.374 F(o=-1.9,f=-0.37) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.32 K(o=-1.3,f=-2.2) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -4.931 -12.280 -2.168 1.00 21.12 N ATOM 2 CA GLY A 1 -4.007 -11.164 -2.087 1.00 63.14 C ATOM 3 C GLY A 1 -3.575 -10.669 -3.454 1.00 20.34 C ATOM 4 O GLY A 1 -2.458 -10.922 -3.905 1.00 23.34 O ATOM 0 H1 GLY A 1 -5.651 -12.189 -1.424 1.00 21.12 H new ATOM 0 H2 GLY A 1 -5.394 -12.281 -3.099 1.00 21.12 H new ATOM 0 H3 GLY A 1 -4.411 -13.171 -2.039 1.00 21.12 H new ATOM 0 HA2 GLY A 1 -4.476 -10.347 -1.540 1.00 63.14 H new ATOM 0 HA3 GLY A 1 -3.127 -11.465 -1.518 1.00 63.14 H new ATOM 8 N PRO A 2 -4.475 -9.947 -4.137 1.00 60.03 N ATOM 9 CA PRO A 2 -4.204 -9.402 -5.471 1.00 11.54 C ATOM 10 C PRO A 2 -3.178 -8.274 -5.438 1.00 52.22 C ATOM 11 O PRO A 2 -2.659 -7.926 -4.378 1.00 52.32 O ATOM 12 CB PRO A 2 -5.568 -8.871 -5.921 1.00 24.33 C ATOM 13 CG PRO A 2 -6.298 -8.582 -4.655 1.00 11.10 C ATOM 14 CD PRO A 2 -5.826 -9.607 -3.661 1.00 12.20 C ATOM 0 HA PRO A 2 -3.781 -10.152 -6.140 1.00 11.54 H new ATOM 0 HB2 PRO A 2 -5.462 -7.974 -6.531 1.00 24.33 H new ATOM 0 HB3 PRO A 2 -6.099 -9.606 -6.525 1.00 24.33 H new ATOM 0 HG2 PRO A 2 -6.086 -7.572 -4.304 1.00 11.10 H new ATOM 0 HG3 PRO A 2 -7.376 -8.649 -4.802 1.00 11.10 H new ATOM 0 HD2 PRO A 2 -5.806 -9.205 -2.648 1.00 12.20 H new ATOM 0 HD3 PRO A 2 -6.478 -10.480 -3.644 1.00 12.20 H new ATOM 22 N GLU A 3 -2.891 -7.707 -6.606 1.00 14.11 N ATOM 23 CA GLU A 3 -1.927 -6.618 -6.709 1.00 62.34 C ATOM 24 C GLU A 3 -2.479 -5.341 -6.084 1.00 10.32 C ATOM 25 O GLU A 3 -3.110 -4.527 -6.759 1.00 73.41 O ATOM 26 CB GLU A 3 -1.564 -6.366 -8.174 1.00 61.44 C ATOM 27 CG GLU A 3 -0.496 -5.302 -8.363 1.00 12.25 C ATOM 28 CD GLU A 3 0.768 -5.849 -8.995 1.00 64.23 C ATOM 29 OE1 GLU A 3 0.677 -6.432 -10.096 1.00 25.54 O ATOM 30 OE2 GLU A 3 1.849 -5.694 -8.389 1.00 44.34 O ATOM 0 H GLU A 3 -3.312 -7.984 -7.493 1.00 14.11 H new ATOM 0 HA GLU A 3 -1.029 -6.909 -6.164 1.00 62.34 H new ATOM 0 HB2 GLU A 3 -1.218 -7.299 -8.619 1.00 61.44 H new ATOM 0 HB3 GLU A 3 -2.462 -6.068 -8.716 1.00 61.44 H new ATOM 0 HG2 GLU A 3 -0.893 -4.502 -8.988 1.00 12.25 H new ATOM 0 HG3 GLU A 3 -0.253 -4.861 -7.396 1.00 12.25 H new ATOM 37 N LYS A 4 -2.237 -5.171 -4.788 1.00 52.04 N ATOM 38 CA LYS A 4 -2.709 -3.993 -4.069 1.00 65.35 C ATOM 39 C LYS A 4 -1.927 -2.752 -4.487 1.00 5.10 C ATOM 40 O LYS A 4 -0.950 -2.375 -3.839 1.00 72.33 O ATOM 41 CB LYS A 4 -2.579 -4.206 -2.560 1.00 34.54 C ATOM 42 CG LYS A 4 -3.739 -4.977 -1.953 1.00 30.22 C ATOM 43 CD LYS A 4 -4.561 -4.105 -1.019 1.00 4.52 C ATOM 44 CE LYS A 4 -4.068 -4.207 0.417 1.00 52.34 C ATOM 45 NZ LYS A 4 -4.977 -3.506 1.366 1.00 60.40 N ATOM 0 H LYS A 4 -1.717 -5.834 -4.214 1.00 52.04 H new ATOM 0 HA LYS A 4 -3.759 -3.841 -4.319 1.00 65.35 H new ATOM 0 HB2 LYS A 4 -1.651 -4.741 -2.355 1.00 34.54 H new ATOM 0 HB3 LYS A 4 -2.502 -3.236 -2.070 1.00 34.54 H new ATOM 0 HG2 LYS A 4 -4.377 -5.362 -2.749 1.00 30.22 H new ATOM 0 HG3 LYS A 4 -3.357 -5.839 -1.406 1.00 30.22 H new ATOM 0 HD2 LYS A 4 -4.510 -3.068 -1.349 1.00 4.52 H new ATOM 0 HD3 LYS A 4 -5.608 -4.404 -1.068 1.00 4.52 H new ATOM 0 HE2 LYS A 4 -3.987 -5.257 0.700 1.00 52.34 H new ATOM 0 HE3 LYS A 4 -3.068 -3.780 0.489 1.00 52.34 H new ATOM 0 HZ1 LYS A 4 -4.607 -3.598 2.334 1.00 60.40 H new ATOM 0 HZ2 LYS A 4 -5.035 -2.499 1.112 1.00 60.40 H new ATOM 0 HZ3 LYS A 4 -5.925 -3.930 1.316 1.00 60.40 H new ATOM 59 N MET A 5 -2.363 -2.120 -5.571 1.00 72.05 N ATOM 60 CA MET A 5 -1.705 -0.919 -6.073 1.00 21.21 C ATOM 61 C MET A 5 -2.719 0.041 -6.686 1.00 12.35 C ATOM 62 O MET A 5 -3.885 -0.307 -6.868 1.00 60.42 O ATOM 63 CB MET A 5 -0.644 -1.289 -7.111 1.00 62.20 C ATOM 64 CG MET A 5 0.642 -0.489 -6.978 1.00 54.20 C ATOM 65 SD MET A 5 1.874 -0.943 -8.214 1.00 33.14 S ATOM 66 CE MET A 5 3.387 -0.510 -7.358 1.00 54.34 C ATOM 0 H MET A 5 -3.169 -2.419 -6.119 1.00 72.05 H new ATOM 0 HA MET A 5 -1.222 -0.421 -5.232 1.00 21.21 H new ATOM 0 HB2 MET A 5 -0.413 -2.350 -7.020 1.00 62.20 H new ATOM 0 HB3 MET A 5 -1.055 -1.137 -8.109 1.00 62.20 H new ATOM 0 HG2 MET A 5 0.416 0.573 -7.070 1.00 54.20 H new ATOM 0 HG3 MET A 5 1.059 -0.641 -5.982 1.00 54.20 H new ATOM 0 HE1 MET A 5 4.242 -0.733 -7.996 1.00 54.34 H new ATOM 0 HE2 MET A 5 3.379 0.554 -7.121 1.00 54.34 H new ATOM 0 HE3 MET A 5 3.461 -1.087 -6.436 1.00 54.34 H new ATOM 76 N GLU A 6 -2.267 1.251 -7.000 1.00 0.30 N ATOM 77 CA GLU A 6 -3.137 2.261 -7.591 1.00 1.41 C ATOM 78 C GLU A 6 -2.514 2.843 -8.856 1.00 45.43 C ATOM 79 O GLU A 6 -2.651 4.034 -9.139 1.00 21.33 O ATOM 80 CB GLU A 6 -3.413 3.380 -6.584 1.00 55.24 C ATOM 81 CG GLU A 6 -4.574 4.279 -6.977 1.00 43.23 C ATOM 82 CD GLU A 6 -5.775 4.112 -6.067 1.00 51.42 C ATOM 83 OE1 GLU A 6 -5.629 4.325 -4.846 1.00 1.24 O ATOM 84 OE2 GLU A 6 -6.862 3.769 -6.578 1.00 10.13 O ATOM 0 H GLU A 6 -1.304 1.555 -6.855 1.00 0.30 H new ATOM 0 HA GLU A 6 -4.079 1.781 -7.858 1.00 1.41 H new ATOM 0 HB2 GLU A 6 -3.620 2.938 -5.610 1.00 55.24 H new ATOM 0 HB3 GLU A 6 -2.515 3.988 -6.473 1.00 55.24 H new ATOM 0 HG2 GLU A 6 -4.247 5.319 -6.954 1.00 43.23 H new ATOM 0 HG3 GLU A 6 -4.867 4.059 -8.004 1.00 43.23 H new ATOM 91 N VAL A 7 -1.827 1.995 -9.615 1.00 22.21 N ATOM 92 CA VAL A 7 -1.182 2.423 -10.850 1.00 52.45 C ATOM 93 C VAL A 7 -1.590 1.534 -12.020 1.00 0.40 C ATOM 94 O VAL A 7 -1.227 0.359 -12.077 1.00 52.34 O ATOM 95 CB VAL A 7 0.352 2.407 -10.718 1.00 22.10 C ATOM 96 CG1 VAL A 7 1.001 3.020 -11.949 1.00 63.15 C ATOM 97 CG2 VAL A 7 0.786 3.139 -9.457 1.00 35.43 C ATOM 0 H VAL A 7 -1.703 1.007 -9.396 1.00 22.21 H new ATOM 0 HA VAL A 7 -1.512 3.444 -11.041 1.00 52.45 H new ATOM 0 HB VAL A 7 0.681 1.371 -10.641 1.00 22.10 H new ATOM 0 HG11 VAL A 7 2.085 3.000 -11.837 1.00 63.15 H new ATOM 0 HG12 VAL A 7 0.717 2.449 -12.833 1.00 63.15 H new ATOM 0 HG13 VAL A 7 0.667 4.052 -12.061 1.00 63.15 H new ATOM 0 HG21 VAL A 7 1.873 3.118 -9.380 1.00 35.43 H new ATOM 0 HG22 VAL A 7 0.446 4.174 -9.501 1.00 35.43 H new ATOM 0 HG23 VAL A 7 0.351 2.651 -8.585 1.00 35.43 H new ATOM 107 N LYS A 8 -2.347 2.103 -12.952 1.00 43.14 N ATOM 108 CA LYS A 8 -2.804 1.364 -14.123 1.00 43.13 C ATOM 109 C LYS A 8 -3.541 2.282 -15.093 1.00 3.51 C ATOM 110 O LYS A 8 -4.302 3.155 -14.677 1.00 75.23 O ATOM 111 CB LYS A 8 -3.718 0.212 -13.700 1.00 53.41 C ATOM 112 CG LYS A 8 -4.801 0.625 -12.718 1.00 71.11 C ATOM 113 CD LYS A 8 -6.018 -0.280 -12.817 1.00 3.00 C ATOM 114 CE LYS A 8 -7.202 0.445 -13.437 1.00 75.32 C ATOM 115 NZ LYS A 8 -8.168 0.914 -12.405 1.00 4.51 N ATOM 0 H LYS A 8 -2.657 3.074 -12.919 1.00 43.14 H new ATOM 0 HA LYS A 8 -1.928 0.958 -14.629 1.00 43.13 H new ATOM 0 HB2 LYS A 8 -4.187 -0.214 -14.587 1.00 53.41 H new ATOM 0 HB3 LYS A 8 -3.113 -0.575 -13.251 1.00 53.41 H new ATOM 0 HG2 LYS A 8 -4.405 0.593 -11.703 1.00 71.11 H new ATOM 0 HG3 LYS A 8 -5.096 1.656 -12.913 1.00 71.11 H new ATOM 0 HD2 LYS A 8 -5.773 -1.157 -13.416 1.00 3.00 H new ATOM 0 HD3 LYS A 8 -6.289 -0.638 -11.824 1.00 3.00 H new ATOM 0 HE2 LYS A 8 -6.844 1.298 -14.014 1.00 75.32 H new ATOM 0 HE3 LYS A 8 -7.711 -0.220 -14.135 1.00 75.32 H new ATOM 0 HZ1 LYS A 8 -8.960 1.403 -12.868 1.00 4.51 H new ATOM 0 HZ2 LYS A 8 -8.529 0.098 -11.871 1.00 4.51 H new ATOM 0 HZ3 LYS A 8 -7.690 1.569 -11.754 1.00 4.51 H new ATOM 129 N GLU A 9 -3.309 2.079 -16.386 1.00 72.40 N ATOM 130 CA GLU A 9 -3.953 2.889 -17.414 1.00 25.15 C ATOM 131 C GLU A 9 -4.568 2.007 -18.496 1.00 20.30 C ATOM 132 O GLU A 9 -4.656 0.788 -18.342 1.00 41.14 O ATOM 133 CB GLU A 9 -2.944 3.854 -18.039 1.00 65.04 C ATOM 134 CG GLU A 9 -2.064 4.560 -17.021 1.00 54.30 C ATOM 135 CD GLU A 9 -1.727 5.982 -17.428 1.00 33.35 C ATOM 136 OE1 GLU A 9 -0.913 6.155 -18.359 1.00 21.54 O ATOM 137 OE2 GLU A 9 -2.277 6.921 -16.815 1.00 70.21 O ATOM 0 H GLU A 9 -2.680 1.361 -16.747 1.00 72.40 H new ATOM 0 HA GLU A 9 -4.750 3.463 -16.942 1.00 25.15 H new ATOM 0 HB2 GLU A 9 -2.310 3.303 -18.734 1.00 65.04 H new ATOM 0 HB3 GLU A 9 -3.482 4.602 -18.622 1.00 65.04 H new ATOM 0 HG2 GLU A 9 -2.570 4.572 -16.056 1.00 54.30 H new ATOM 0 HG3 GLU A 9 -1.141 3.995 -16.890 1.00 54.30 H new ATOM 144 N ILE A 10 -4.992 2.631 -19.589 1.00 55.22 N ATOM 145 CA ILE A 10 -5.599 1.904 -20.697 1.00 70.41 C ATOM 146 C ILE A 10 -4.743 2.004 -21.955 1.00 24.41 C ATOM 147 O ILE A 10 -5.219 2.415 -23.012 1.00 11.12 O ATOM 148 CB ILE A 10 -7.013 2.429 -21.009 1.00 43.10 C ATOM 149 CG1 ILE A 10 -7.803 2.629 -19.714 1.00 52.34 C ATOM 150 CG2 ILE A 10 -7.741 1.470 -21.938 1.00 74.30 C ATOM 151 CD1 ILE A 10 -7.868 1.391 -18.848 1.00 62.12 C ATOM 0 H ILE A 10 -4.926 3.639 -19.731 1.00 55.22 H new ATOM 0 HA ILE A 10 -5.668 0.861 -20.389 1.00 70.41 H new ATOM 0 HB ILE A 10 -6.925 3.392 -21.511 1.00 43.10 H new ATOM 0 HG12 ILE A 10 -7.349 3.439 -19.143 1.00 52.34 H new ATOM 0 HG13 ILE A 10 -8.817 2.943 -19.961 1.00 52.34 H new ATOM 0 HG21 ILE A 10 -8.739 1.855 -22.149 1.00 74.30 H new ATOM 0 HG22 ILE A 10 -7.184 1.374 -22.870 1.00 74.30 H new ATOM 0 HG23 ILE A 10 -7.822 0.493 -21.461 1.00 74.30 H new ATOM 0 HD11 ILE A 10 -8.443 1.607 -17.948 1.00 62.12 H new ATOM 0 HD12 ILE A 10 -8.349 0.585 -19.402 1.00 62.12 H new ATOM 0 HD13 ILE A 10 -6.859 1.088 -18.570 1.00 62.12 H new ATOM 163 N GLY A 11 -3.475 1.622 -21.833 1.00 43.20 N ATOM 164 CA GLY A 11 -2.572 1.675 -22.968 1.00 61.20 C ATOM 165 C GLY A 11 -2.697 0.460 -23.865 1.00 73.34 C ATOM 166 O GLY A 11 -2.251 -0.631 -23.510 1.00 75.40 O ATOM 0 H GLY A 11 -3.057 1.277 -20.969 1.00 43.20 H new ATOM 0 HA2 GLY A 11 -2.776 2.574 -23.549 1.00 61.20 H new ATOM 0 HA3 GLY A 11 -1.546 1.754 -22.609 1.00 61.20 H new ATOM 170 N ARG A 12 -3.307 0.647 -25.031 1.00 52.42 N ATOM 171 CA ARG A 12 -3.493 -0.443 -25.981 1.00 23.23 C ATOM 172 C ARG A 12 -3.635 0.092 -27.403 1.00 4.14 C ATOM 173 O ARG A 12 -4.522 -0.324 -28.148 1.00 1.15 O ATOM 174 CB ARG A 12 -4.727 -1.267 -25.609 1.00 50.00 C ATOM 175 CG ARG A 12 -6.020 -0.467 -25.622 1.00 25.31 C ATOM 176 CD ARG A 12 -7.069 -1.119 -26.508 1.00 73.51 C ATOM 177 NE ARG A 12 -7.697 -2.267 -25.859 1.00 21.30 N ATOM 178 CZ ARG A 12 -8.565 -2.162 -24.859 1.00 22.32 C ATOM 179 NH1 ARG A 12 -8.906 -0.968 -24.396 1.00 14.31 N ATOM 180 NH2 ARG A 12 -9.093 -3.254 -24.320 1.00 13.40 N ATOM 0 H ARG A 12 -3.681 1.544 -25.341 1.00 52.42 H new ATOM 0 HA ARG A 12 -2.611 -1.082 -25.939 1.00 23.23 H new ATOM 0 HB2 ARG A 12 -4.819 -2.102 -26.304 1.00 50.00 H new ATOM 0 HB3 ARG A 12 -4.583 -1.693 -24.616 1.00 50.00 H new ATOM 0 HG2 ARG A 12 -6.404 -0.378 -24.606 1.00 25.31 H new ATOM 0 HG3 ARG A 12 -5.820 0.544 -25.977 1.00 25.31 H new ATOM 0 HD2 ARG A 12 -7.833 -0.385 -26.765 1.00 73.51 H new ATOM 0 HD3 ARG A 12 -6.607 -1.439 -27.442 1.00 73.51 H new ATOM 0 HE ARG A 12 -7.456 -3.200 -26.192 1.00 21.30 H new ATOM 0 HH11 ARG A 12 -8.502 -0.127 -24.808 1.00 14.31 H new ATOM 0 HH12 ARG A 12 -9.573 -0.890 -23.628 1.00 14.31 H new ATOM 0 HH21 ARG A 12 -8.832 -4.175 -24.674 1.00 13.40 H new ATOM 0 HH22 ARG A 12 -9.759 -3.173 -23.552 1.00 13.40 H new ATOM 194 N SER A 13 -2.755 1.017 -27.772 1.00 4.43 N ATOM 195 CA SER A 13 -2.784 1.613 -29.102 1.00 72.14 C ATOM 196 C SER A 13 -1.459 1.392 -29.826 1.00 54.20 C ATOM 197 O SER A 13 -0.607 0.633 -29.366 1.00 20.33 O ATOM 198 CB SER A 13 -3.083 3.110 -29.007 1.00 52.35 C ATOM 199 OG SER A 13 -3.996 3.513 -30.014 1.00 44.02 O ATOM 0 H SER A 13 -2.013 1.370 -27.168 1.00 4.43 H new ATOM 0 HA SER A 13 -3.575 1.127 -29.673 1.00 72.14 H new ATOM 0 HB2 SER A 13 -3.496 3.340 -28.025 1.00 52.35 H new ATOM 0 HB3 SER A 13 -2.157 3.676 -29.104 1.00 52.35 H new ATOM 0 HG SER A 13 -3.824 4.447 -30.257 1.00 44.02 H new ATOM 205 N SER A 14 -1.294 2.062 -30.962 1.00 51.01 N ATOM 206 CA SER A 14 -0.075 1.937 -31.753 1.00 13.12 C ATOM 207 C SER A 14 0.475 3.311 -32.124 1.00 20.15 C ATOM 208 O SER A 14 1.093 3.483 -33.174 1.00 61.34 O ATOM 209 CB SER A 14 -0.346 1.124 -33.020 1.00 45.35 C ATOM 210 OG SER A 14 -0.826 -0.171 -32.703 1.00 42.43 O ATOM 0 H SER A 14 -1.989 2.697 -31.355 1.00 51.01 H new ATOM 0 HA SER A 14 0.670 1.418 -31.149 1.00 13.12 H new ATOM 0 HB2 SER A 14 -1.076 1.644 -33.640 1.00 45.35 H new ATOM 0 HB3 SER A 14 0.569 1.042 -33.606 1.00 45.35 H new ATOM 0 HG SER A 14 -0.993 -0.670 -33.530 1.00 42.43 H new ATOM 216 N LYS A 15 0.246 4.288 -31.253 1.00 33.35 N ATOM 217 CA LYS A 15 0.718 5.647 -31.485 1.00 42.40 C ATOM 218 C LYS A 15 2.241 5.711 -31.428 1.00 42.25 C ATOM 219 O LYS A 15 2.873 5.002 -30.644 1.00 55.41 O ATOM 220 CB LYS A 15 0.118 6.602 -30.450 1.00 24.20 C ATOM 221 CG LYS A 15 0.776 6.509 -29.084 1.00 42.21 C ATOM 222 CD LYS A 15 0.256 5.320 -28.294 1.00 13.31 C ATOM 223 CE LYS A 15 1.287 4.205 -28.221 1.00 22.12 C ATOM 224 NZ LYS A 15 2.552 4.660 -27.579 1.00 35.11 N ATOM 0 H LYS A 15 -0.264 4.163 -30.379 1.00 33.35 H new ATOM 0 HA LYS A 15 0.396 5.951 -32.481 1.00 42.40 H new ATOM 0 HB2 LYS A 15 0.206 7.624 -30.817 1.00 24.20 H new ATOM 0 HB3 LYS A 15 -0.946 6.391 -30.347 1.00 24.20 H new ATOM 0 HG2 LYS A 15 1.856 6.423 -29.205 1.00 42.21 H new ATOM 0 HG3 LYS A 15 0.590 7.427 -28.526 1.00 42.21 H new ATOM 0 HD2 LYS A 15 -0.008 5.639 -27.286 1.00 13.31 H new ATOM 0 HD3 LYS A 15 -0.656 4.944 -28.758 1.00 13.31 H new ATOM 0 HE2 LYS A 15 0.876 3.366 -27.659 1.00 22.12 H new ATOM 0 HE3 LYS A 15 1.500 3.841 -29.226 1.00 22.12 H new ATOM 0 HZ1 LYS A 15 2.986 3.866 -27.066 1.00 35.11 H new ATOM 0 HZ2 LYS A 15 3.209 5.000 -28.310 1.00 35.11 H new ATOM 0 HZ3 LYS A 15 2.345 5.431 -26.913 1.00 35.11 H new ATOM 238 N ILE A 16 2.824 6.565 -32.263 1.00 4.00 N ATOM 239 CA ILE A 16 4.273 6.722 -32.305 1.00 52.41 C ATOM 240 C ILE A 16 4.671 7.920 -33.161 1.00 70.24 C ATOM 241 O ILE A 16 3.823 8.559 -33.785 1.00 0.35 O ATOM 242 CB ILE A 16 4.961 5.460 -32.857 1.00 35.31 C ATOM 243 CG1 ILE A 16 3.972 4.633 -33.682 1.00 12.13 C ATOM 244 CG2 ILE A 16 5.534 4.629 -31.719 1.00 31.32 C ATOM 245 CD1 ILE A 16 4.635 3.581 -34.543 1.00 13.00 C ATOM 0 H ILE A 16 2.316 7.158 -32.919 1.00 4.00 H new ATOM 0 HA ILE A 16 4.602 6.885 -31.279 1.00 52.41 H new ATOM 0 HB ILE A 16 5.781 5.766 -33.507 1.00 35.31 H new ATOM 0 HG12 ILE A 16 3.266 4.147 -33.008 1.00 12.13 H new ATOM 0 HG13 ILE A 16 3.395 5.302 -34.320 1.00 12.13 H new ATOM 0 HG21 ILE A 16 6.017 3.740 -32.125 1.00 31.32 H new ATOM 0 HG22 ILE A 16 6.266 5.221 -31.169 1.00 31.32 H new ATOM 0 HG23 ILE A 16 4.730 4.330 -31.046 1.00 31.32 H new ATOM 0 HD11 ILE A 16 3.874 3.034 -35.099 1.00 13.00 H new ATOM 0 HD12 ILE A 16 5.320 4.061 -35.242 1.00 13.00 H new ATOM 0 HD13 ILE A 16 5.189 2.889 -33.909 1.00 13.00 H new ATOM 257 N ILE A 17 5.966 8.216 -33.189 1.00 11.35 N ATOM 258 CA ILE A 17 6.477 9.335 -33.971 1.00 33.01 C ATOM 259 C ILE A 17 7.359 8.848 -35.116 1.00 32.05 C ATOM 260 O ILE A 17 7.797 7.697 -35.130 1.00 23.03 O ATOM 261 CB ILE A 17 7.284 10.312 -33.096 1.00 13.12 C ATOM 262 CG1 ILE A 17 8.510 9.611 -32.508 1.00 33.35 C ATOM 263 CG2 ILE A 17 6.408 10.878 -31.988 1.00 30.22 C ATOM 264 CD1 ILE A 17 8.244 8.947 -31.175 1.00 24.53 C ATOM 0 H ILE A 17 6.681 7.696 -32.679 1.00 11.35 H new ATOM 0 HA ILE A 17 5.611 9.856 -34.379 1.00 33.01 H new ATOM 0 HB ILE A 17 7.626 11.138 -33.720 1.00 13.12 H new ATOM 0 HG12 ILE A 17 8.863 8.860 -33.215 1.00 33.35 H new ATOM 0 HG13 ILE A 17 9.312 10.339 -32.389 1.00 33.35 H new ATOM 0 HG21 ILE A 17 6.993 11.567 -31.378 1.00 30.22 H new ATOM 0 HG22 ILE A 17 5.564 11.409 -32.427 1.00 30.22 H new ATOM 0 HG23 ILE A 17 6.039 10.064 -31.364 1.00 30.22 H new ATOM 0 HD11 ILE A 17 9.157 8.470 -30.818 1.00 24.53 H new ATOM 0 HD12 ILE A 17 7.920 9.697 -30.453 1.00 24.53 H new ATOM 0 HD13 ILE A 17 7.464 8.195 -31.292 1.00 24.53 H new ATOM 276 N LEU A 18 7.617 9.732 -36.073 1.00 71.42 N ATOM 277 CA LEU A 18 8.449 9.393 -37.223 1.00 22.05 C ATOM 278 C LEU A 18 9.604 10.379 -37.368 1.00 22.44 C ATOM 279 O LEU A 18 9.426 11.525 -37.779 1.00 43.21 O ATOM 280 CB LEU A 18 7.609 9.383 -38.501 1.00 14.14 C ATOM 281 CG LEU A 18 8.214 8.646 -39.696 1.00 54.31 C ATOM 282 CD1 LEU A 18 7.209 8.562 -40.835 1.00 23.10 C ATOM 283 CD2 LEU A 18 9.489 9.336 -40.158 1.00 23.35 C ATOM 0 H LEU A 18 7.263 10.688 -36.076 1.00 71.42 H new ATOM 0 HA LEU A 18 8.862 8.398 -37.060 1.00 22.05 H new ATOM 0 HB2 LEU A 18 6.643 8.933 -38.273 1.00 14.14 H new ATOM 0 HB3 LEU A 18 7.418 10.415 -38.795 1.00 14.14 H new ATOM 0 HG LEU A 18 8.465 7.632 -39.384 1.00 54.31 H new ATOM 0 HD11 LEU A 18 7.657 8.034 -41.677 1.00 23.10 H new ATOM 0 HD12 LEU A 18 6.323 8.024 -40.499 1.00 23.10 H new ATOM 0 HD13 LEU A 18 6.927 9.568 -41.146 1.00 23.10 H new ATOM 0 HD21 LEU A 18 9.906 8.798 -41.009 1.00 23.35 H new ATOM 0 HD22 LEU A 18 9.262 10.361 -40.452 1.00 23.35 H new ATOM 0 HD23 LEU A 18 10.214 9.344 -39.344 1.00 23.35 H new ATOM 295 N PRO A 19 10.818 9.923 -37.024 1.00 60.20 N ATOM 296 CA PRO A 19 12.027 10.748 -37.110 1.00 71.41 C ATOM 297 C PRO A 19 12.434 11.031 -38.552 1.00 53.11 C ATOM 298 O PRO A 19 13.068 10.201 -39.203 1.00 2.35 O ATOM 299 CB PRO A 19 13.089 9.894 -36.413 1.00 21.01 C ATOM 300 CG PRO A 19 12.605 8.493 -36.560 1.00 64.40 C ATOM 301 CD PRO A 19 11.104 8.567 -36.526 1.00 31.04 C ATOM 0 HA PRO A 19 11.884 11.729 -36.657 1.00 71.41 H new ATOM 0 HB2 PRO A 19 14.068 10.025 -36.874 1.00 21.01 H new ATOM 0 HB3 PRO A 19 13.192 10.169 -35.363 1.00 21.01 H new ATOM 0 HG2 PRO A 19 12.953 8.056 -37.496 1.00 64.40 H new ATOM 0 HG3 PRO A 19 12.983 7.863 -35.755 1.00 64.40 H new ATOM 0 HD2 PRO A 19 10.650 7.803 -37.157 1.00 31.04 H new ATOM 0 HD3 PRO A 19 10.717 8.419 -35.518 1.00 31.04 H new ATOM 309 N ALA A 20 12.065 12.209 -39.046 1.00 34.35 N ATOM 310 CA ALA A 20 12.394 12.602 -40.410 1.00 14.21 C ATOM 311 C ALA A 20 13.112 13.947 -40.435 1.00 54.32 C ATOM 312 O ALA A 20 14.334 14.008 -40.572 1.00 72.24 O ATOM 313 CB ALA A 20 11.134 12.658 -41.261 1.00 51.14 C ATOM 0 H ALA A 20 11.538 12.907 -38.521 1.00 34.35 H new ATOM 0 HA ALA A 20 13.067 11.852 -40.826 1.00 14.21 H new ATOM 0 HB1 ALA A 20 11.394 12.953 -42.278 1.00 51.14 H new ATOM 0 HB2 ALA A 20 10.662 11.676 -41.278 1.00 51.14 H new ATOM 0 HB3 ALA A 20 10.441 13.386 -40.838 1.00 51.14 H new ATOM 319 N CYS A 21 12.345 15.025 -40.303 1.00 31.50 N ATOM 320 CA CYS A 21 12.907 16.370 -40.312 1.00 21.41 C ATOM 321 C CYS A 21 12.486 17.144 -39.066 1.00 73.51 C ATOM 322 O CYS A 21 13.291 17.849 -38.460 1.00 12.54 O ATOM 323 CB CYS A 21 12.463 17.122 -41.568 1.00 2.33 C ATOM 324 SG CYS A 21 10.672 17.039 -41.890 1.00 41.40 S ATOM 0 H CYS A 21 11.332 14.992 -40.188 1.00 31.50 H new ATOM 0 HA CYS A 21 13.994 16.283 -40.314 1.00 21.41 H new ATOM 0 HB2 CYS A 21 12.757 18.168 -41.475 1.00 2.33 H new ATOM 0 HB3 CYS A 21 12.995 16.717 -42.428 1.00 2.33 H new ATOM 329 N MET A 22 11.218 17.005 -38.691 1.00 23.23 N ATOM 330 CA MET A 22 10.690 17.690 -37.516 1.00 62.44 C ATOM 331 C MET A 22 10.012 16.703 -36.571 1.00 1.20 C ATOM 332 O MET A 22 10.159 15.489 -36.715 1.00 54.02 O ATOM 333 CB MET A 22 9.698 18.776 -37.936 1.00 61.13 C ATOM 334 CG MET A 22 10.016 20.145 -37.358 1.00 15.31 C ATOM 335 SD MET A 22 11.560 20.826 -37.992 1.00 50.11 S ATOM 336 CE MET A 22 12.579 20.783 -36.520 1.00 20.43 C ATOM 0 H MET A 22 10.538 16.425 -39.183 1.00 23.23 H new ATOM 0 HA MET A 22 11.525 18.154 -36.990 1.00 62.44 H new ATOM 0 HB2 MET A 22 9.685 18.844 -39.024 1.00 61.13 H new ATOM 0 HB3 MET A 22 8.696 18.482 -37.623 1.00 61.13 H new ATOM 0 HG2 MET A 22 9.200 20.830 -37.588 1.00 15.31 H new ATOM 0 HG3 MET A 22 10.075 20.072 -36.272 1.00 15.31 H new ATOM 0 HE1 MET A 22 13.606 20.542 -36.795 1.00 20.43 H new ATOM 0 HE2 MET A 22 12.554 21.757 -36.031 1.00 20.43 H new ATOM 0 HE3 MET A 22 12.199 20.024 -35.836 1.00 20.43 H new ATOM 346 N HIS A 23 9.270 17.232 -35.603 1.00 50.44 N ATOM 347 CA HIS A 23 8.569 16.398 -34.634 1.00 70.42 C ATOM 348 C HIS A 23 7.171 16.045 -35.132 1.00 74.30 C ATOM 349 O HIS A 23 6.282 16.895 -35.167 1.00 33.13 O ATOM 350 CB HIS A 23 8.478 17.112 -33.286 1.00 13.14 C ATOM 351 CG HIS A 23 9.706 16.960 -32.443 1.00 22.34 C ATOM 352 ND1 HIS A 23 9.871 17.597 -31.231 1.00 23.11 N ATOM 353 CD2 HIS A 23 10.832 16.236 -32.642 1.00 23.42 C ATOM 354 CE1 HIS A 23 11.047 17.273 -30.722 1.00 74.22 C ATOM 355 NE2 HIS A 23 11.649 16.447 -31.559 1.00 5.33 N ATOM 0 H HIS A 23 9.139 18.235 -35.469 1.00 50.44 H new ATOM 0 HA HIS A 23 9.135 15.475 -34.510 1.00 70.42 H new ATOM 0 HB2 HIS A 23 8.294 18.173 -33.458 1.00 13.14 H new ATOM 0 HB3 HIS A 23 7.620 16.725 -32.736 1.00 13.14 H new ATOM 0 HD2 HIS A 23 11.048 15.609 -33.494 1.00 23.42 H new ATOM 0 HE1 HIS A 23 11.447 17.624 -29.782 1.00 74.22 H new ATOM 0 HE2 HIS A 23 12.571 16.033 -31.423 1.00 5.33 H new ATOM 363 N GLU A 24 6.985 14.786 -35.517 1.00 33.22 N ATOM 364 CA GLU A 24 5.695 14.322 -36.014 1.00 54.41 C ATOM 365 C GLU A 24 5.178 13.154 -35.179 1.00 54.24 C ATOM 366 O GLU A 24 5.926 12.539 -34.419 1.00 43.21 O ATOM 367 CB GLU A 24 5.809 13.904 -37.481 1.00 61.23 C ATOM 368 CG GLU A 24 6.933 12.916 -37.747 1.00 10.24 C ATOM 369 CD GLU A 24 7.337 12.871 -39.207 1.00 70.34 C ATOM 370 OE1 GLU A 24 6.639 12.197 -39.994 1.00 43.05 O ATOM 371 OE2 GLU A 24 8.350 13.508 -39.564 1.00 30.24 O ATOM 0 H GLU A 24 7.711 14.070 -35.494 1.00 33.22 H new ATOM 0 HA GLU A 24 4.986 15.146 -35.933 1.00 54.41 H new ATOM 0 HB2 GLU A 24 4.865 13.461 -37.798 1.00 61.23 H new ATOM 0 HB3 GLU A 24 5.966 14.793 -38.092 1.00 61.23 H new ATOM 0 HG2 GLU A 24 7.799 13.185 -37.142 1.00 10.24 H new ATOM 0 HG3 GLU A 24 6.620 11.921 -37.430 1.00 10.24 H new ATOM 378 N THR A 25 3.891 12.853 -35.326 1.00 51.40 N ATOM 379 CA THR A 25 3.272 11.761 -34.586 1.00 1.34 C ATOM 380 C THR A 25 2.057 11.214 -35.326 1.00 11.33 C ATOM 381 O THR A 25 1.517 11.866 -36.221 1.00 21.54 O ATOM 382 CB THR A 25 2.841 12.211 -33.177 1.00 23.23 C ATOM 383 OG1 THR A 25 3.838 13.069 -32.610 1.00 60.21 O ATOM 384 CG2 THR A 25 2.623 11.010 -32.269 1.00 11.04 C ATOM 0 H THR A 25 3.257 13.351 -35.951 1.00 51.40 H new ATOM 0 HA THR A 25 4.022 10.976 -34.495 1.00 1.34 H new ATOM 0 HB THR A 25 1.901 12.756 -33.265 1.00 23.23 H new ATOM 0 HG1 THR A 25 3.556 13.352 -31.715 1.00 60.21 H new ATOM 0 HG21 THR A 25 2.319 11.352 -31.280 1.00 11.04 H new ATOM 0 HG22 THR A 25 1.843 10.374 -32.688 1.00 11.04 H new ATOM 0 HG23 THR A 25 3.550 10.442 -32.188 1.00 11.04 H new ATOM 392 N CYS A 26 1.630 10.014 -34.947 1.00 12.42 N ATOM 393 CA CYS A 26 0.477 9.379 -35.574 1.00 65.03 C ATOM 394 C CYS A 26 -0.159 8.358 -34.636 1.00 21.05 C ATOM 395 O CYS A 26 0.535 7.675 -33.882 1.00 11.20 O ATOM 396 CB CYS A 26 0.892 8.698 -36.880 1.00 43.32 C ATOM 397 SG CYS A 26 -0.499 8.303 -37.987 1.00 74.12 S ATOM 0 H CYS A 26 2.065 9.462 -34.208 1.00 12.42 H new ATOM 0 HA CYS A 26 -0.259 10.153 -35.792 1.00 65.03 H new ATOM 0 HB2 CYS A 26 1.591 9.346 -37.409 1.00 43.32 H new ATOM 0 HB3 CYS A 26 1.427 7.778 -36.644 1.00 43.32 H new ATOM 402 N SER A 27 -1.483 8.260 -34.687 1.00 74.44 N ATOM 403 CA SER A 27 -2.214 7.325 -33.840 1.00 33.03 C ATOM 404 C SER A 27 -3.664 7.195 -34.298 1.00 64.13 C ATOM 405 O SER A 27 -4.412 8.171 -34.314 1.00 3.43 O ATOM 406 CB SER A 27 -2.168 7.784 -32.381 1.00 33.51 C ATOM 407 OG SER A 27 -3.080 8.844 -32.151 1.00 31.45 O ATOM 0 H SER A 27 -2.072 8.817 -35.306 1.00 74.44 H new ATOM 0 HA SER A 27 -1.736 6.349 -33.923 1.00 33.03 H new ATOM 0 HB2 SER A 27 -2.406 6.946 -31.725 1.00 33.51 H new ATOM 0 HB3 SER A 27 -1.158 8.108 -32.130 1.00 33.51 H new ATOM 0 HG SER A 27 -2.591 9.634 -31.838 1.00 31.45 H new ATOM 413 N GLY A 28 -4.053 5.980 -34.672 1.00 21.53 N ATOM 414 CA GLY A 28 -5.411 5.742 -35.126 1.00 44.40 C ATOM 415 C GLY A 28 -6.024 4.506 -34.499 1.00 52.21 C ATOM 416 O GLY A 28 -6.151 3.470 -35.149 1.00 71.43 O ATOM 0 H GLY A 28 -3.452 5.156 -34.669 1.00 21.53 H new ATOM 0 HA2 GLY A 28 -6.027 6.609 -34.889 1.00 44.40 H new ATOM 0 HA3 GLY A 28 -5.415 5.635 -36.211 1.00 44.40 H new ATOM 420 N GLY A 29 -6.405 4.615 -33.230 1.00 30.03 N ATOM 421 CA GLY A 29 -7.002 3.489 -32.535 1.00 52.24 C ATOM 422 C GLY A 29 -7.532 3.867 -31.166 1.00 40.34 C ATOM 423 O GLY A 29 -8.659 3.521 -30.812 1.00 10.34 O ATOM 0 H GLY A 29 -6.311 5.463 -32.671 1.00 30.03 H new ATOM 0 HA2 GLY A 29 -7.816 3.084 -33.137 1.00 52.24 H new ATOM 0 HA3 GLY A 29 -6.260 2.697 -32.428 1.00 52.24 H new ATOM 427 N PHE A 30 -6.717 4.578 -30.394 1.00 12.21 N ATOM 428 CA PHE A 30 -7.109 5.001 -29.055 1.00 12.24 C ATOM 429 C PHE A 30 -6.944 6.509 -28.891 1.00 15.35 C ATOM 430 O PHE A 30 -7.755 7.166 -28.237 1.00 21.45 O ATOM 431 CB PHE A 30 -6.276 4.268 -28.001 1.00 12.20 C ATOM 432 CG PHE A 30 -6.468 4.800 -26.609 1.00 64.23 C ATOM 433 CD1 PHE A 30 -7.740 5.008 -26.102 1.00 51.41 C ATOM 434 CD2 PHE A 30 -5.375 5.090 -25.808 1.00 53.31 C ATOM 435 CE1 PHE A 30 -7.919 5.498 -24.822 1.00 41.22 C ATOM 436 CE2 PHE A 30 -5.548 5.580 -24.527 1.00 61.00 C ATOM 437 CZ PHE A 30 -6.822 5.783 -24.033 1.00 44.12 C ATOM 0 H PHE A 30 -5.781 4.873 -30.673 1.00 12.21 H new ATOM 0 HA PHE A 30 -8.161 4.751 -28.915 1.00 12.24 H new ATOM 0 HB2 PHE A 30 -6.536 3.209 -28.016 1.00 12.20 H new ATOM 0 HB3 PHE A 30 -5.222 4.341 -28.267 1.00 12.20 H new ATOM 0 HD1 PHE A 30 -8.602 4.785 -26.714 1.00 51.41 H new ATOM 0 HD2 PHE A 30 -4.377 4.931 -26.189 1.00 53.31 H new ATOM 0 HE1 PHE A 30 -8.916 5.658 -24.439 1.00 41.22 H new ATOM 0 HE2 PHE A 30 -4.688 5.804 -23.913 1.00 61.00 H new ATOM 0 HZ PHE A 30 -6.960 6.164 -23.032 1.00 44.12 H new ATOM 447 N SER A 31 -5.889 7.052 -29.489 1.00 22.21 N ATOM 448 CA SER A 31 -5.614 8.482 -29.406 1.00 71.52 C ATOM 449 C SER A 31 -6.295 9.232 -30.546 1.00 55.51 C ATOM 450 O SER A 31 -6.918 10.274 -30.335 1.00 0.15 O ATOM 451 CB SER A 31 -4.106 8.736 -29.443 1.00 21.54 C ATOM 452 OG SER A 31 -3.606 9.022 -28.148 1.00 44.42 O ATOM 0 H SER A 31 -5.210 6.523 -30.037 1.00 22.21 H new ATOM 0 HA SER A 31 -6.014 8.850 -28.461 1.00 71.52 H new ATOM 0 HB2 SER A 31 -3.596 7.862 -29.848 1.00 21.54 H new ATOM 0 HB3 SER A 31 -3.890 9.569 -30.112 1.00 21.54 H new ATOM 0 HG SER A 31 -2.640 9.179 -28.198 1.00 44.42 H new ATOM 458 N LEU A 32 -6.173 8.697 -31.755 1.00 71.54 N ATOM 459 CA LEU A 32 -6.777 9.315 -32.931 1.00 23.31 C ATOM 460 C LEU A 32 -6.211 10.712 -33.162 1.00 51.32 C ATOM 461 O LEU A 32 -6.953 11.694 -33.211 1.00 24.13 O ATOM 462 CB LEU A 32 -8.296 9.387 -32.770 1.00 11.22 C ATOM 463 CG LEU A 32 -9.077 9.890 -33.985 1.00 4.43 C ATOM 464 CD1 LEU A 32 -9.687 8.725 -34.747 1.00 61.32 C ATOM 465 CD2 LEU A 32 -10.156 10.873 -33.555 1.00 73.03 C ATOM 0 H LEU A 32 -5.661 7.836 -31.948 1.00 71.54 H new ATOM 0 HA LEU A 32 -6.539 8.699 -33.798 1.00 23.31 H new ATOM 0 HB2 LEU A 32 -8.662 8.392 -32.514 1.00 11.22 H new ATOM 0 HB3 LEU A 32 -8.521 10.037 -31.924 1.00 11.22 H new ATOM 0 HG LEU A 32 -8.385 10.408 -34.649 1.00 4.43 H new ATOM 0 HD11 LEU A 32 -10.239 9.102 -35.608 1.00 61.32 H new ATOM 0 HD12 LEU A 32 -8.895 8.058 -35.088 1.00 61.32 H new ATOM 0 HD13 LEU A 32 -10.366 8.178 -34.093 1.00 61.32 H new ATOM 0 HD21 LEU A 32 -10.702 11.221 -34.432 1.00 73.03 H new ATOM 0 HD22 LEU A 32 -10.846 10.380 -32.870 1.00 73.03 H new ATOM 0 HD23 LEU A 32 -9.694 11.724 -33.054 1.00 73.03 H new ATOM 477 N LYS A 33 -4.893 10.795 -33.307 1.00 22.15 N ATOM 478 CA LYS A 33 -4.226 12.071 -33.537 1.00 14.24 C ATOM 479 C LYS A 33 -2.936 11.877 -34.326 1.00 25.55 C ATOM 480 O LYS A 33 -2.544 10.749 -34.624 1.00 41.32 O ATOM 481 CB LYS A 33 -3.923 12.759 -32.204 1.00 11.23 C ATOM 482 CG LYS A 33 -5.139 12.906 -31.305 1.00 5.14 C ATOM 483 CD LYS A 33 -4.784 13.589 -29.994 1.00 64.33 C ATOM 484 CE LYS A 33 -5.234 15.041 -29.983 1.00 14.33 C ATOM 485 NZ LYS A 33 -5.280 15.597 -28.602 1.00 20.12 N ATOM 0 H LYS A 33 -4.265 9.992 -33.269 1.00 22.15 H new ATOM 0 HA LYS A 33 -4.896 12.702 -34.121 1.00 14.24 H new ATOM 0 HB2 LYS A 33 -3.158 12.189 -31.676 1.00 11.23 H new ATOM 0 HB3 LYS A 33 -3.506 13.747 -32.401 1.00 11.23 H new ATOM 0 HG2 LYS A 33 -5.906 13.483 -31.821 1.00 5.14 H new ATOM 0 HG3 LYS A 33 -5.563 11.923 -31.101 1.00 5.14 H new ATOM 0 HD2 LYS A 33 -5.252 13.056 -29.166 1.00 64.33 H new ATOM 0 HD3 LYS A 33 -3.707 13.540 -29.837 1.00 64.33 H new ATOM 0 HE2 LYS A 33 -4.554 15.637 -30.592 1.00 14.33 H new ATOM 0 HE3 LYS A 33 -6.221 15.119 -30.439 1.00 14.33 H new ATOM 0 HZ1 LYS A 33 -5.591 16.589 -28.637 1.00 20.12 H new ATOM 0 HZ2 LYS A 33 -5.948 15.045 -28.027 1.00 20.12 H new ATOM 0 HZ3 LYS A 33 -4.333 15.546 -28.176 1.00 20.12 H new ATOM 499 N ASN A 34 -2.278 12.983 -34.659 1.00 33.34 N ATOM 500 CA ASN A 34 -1.031 12.933 -35.412 1.00 63.12 C ATOM 501 C ASN A 34 -0.402 14.319 -35.515 1.00 42.13 C ATOM 502 O ASN A 34 -1.099 15.316 -35.704 1.00 32.04 O ATOM 503 CB ASN A 34 -1.278 12.367 -36.812 1.00 54.51 C ATOM 504 CG ASN A 34 -2.381 13.105 -37.547 1.00 33.13 C ATOM 505 OD1 ASN A 34 -2.180 14.215 -38.039 1.00 1.11 O ATOM 506 ND2 ASN A 34 -3.555 12.489 -37.623 1.00 73.03 N ATOM 0 H ASN A 34 -2.588 13.925 -34.419 1.00 33.34 H new ATOM 0 HA ASN A 34 -0.340 12.279 -34.880 1.00 63.12 H new ATOM 0 HB2 ASN A 34 -0.357 12.424 -37.392 1.00 54.51 H new ATOM 0 HB3 ASN A 34 -1.540 11.312 -36.734 1.00 54.51 H new ATOM 0 HD21 ASN A 34 -4.335 12.936 -38.104 1.00 73.03 H new ATOM 0 HD22 ASN A 34 -3.676 11.569 -37.200 1.00 73.03 H new ATOM 513 N ASP A 35 0.920 14.374 -35.391 1.00 73.34 N ATOM 514 CA ASP A 35 1.644 15.637 -35.472 1.00 53.03 C ATOM 515 C ASP A 35 2.241 15.833 -36.862 1.00 64.31 C ATOM 516 O ASP A 35 2.942 14.960 -37.377 1.00 11.52 O ATOM 517 CB ASP A 35 2.749 15.684 -34.417 1.00 4.23 C ATOM 518 CG ASP A 35 2.377 16.546 -33.226 1.00 42.35 C ATOM 519 OD1 ASP A 35 1.853 17.660 -33.441 1.00 23.24 O ATOM 520 OD2 ASP A 35 2.609 16.107 -32.081 1.00 11.22 O ATOM 0 H ASP A 35 1.512 13.558 -35.234 1.00 73.34 H new ATOM 0 HA ASP A 35 0.938 16.445 -35.283 1.00 53.03 H new ATOM 0 HB2 ASP A 35 2.965 14.672 -34.076 1.00 4.23 H new ATOM 0 HB3 ASP A 35 3.663 16.069 -34.869 1.00 4.23 H new ATOM 525 N CYS A 36 1.959 16.983 -37.465 1.00 64.43 N ATOM 526 CA CYS A 36 2.467 17.293 -38.796 1.00 42.22 C ATOM 527 C CYS A 36 3.990 17.203 -38.832 1.00 60.42 C ATOM 528 O CYS A 36 4.624 16.844 -37.840 1.00 21.30 O ATOM 529 CB CYS A 36 2.018 18.692 -39.222 1.00 44.43 C ATOM 530 SG CYS A 36 0.710 18.700 -40.490 1.00 20.21 S ATOM 0 H CYS A 36 1.381 17.716 -37.053 1.00 64.43 H new ATOM 0 HA CYS A 36 2.061 16.560 -39.493 1.00 42.22 H new ATOM 0 HB2 CYS A 36 1.661 19.230 -38.344 1.00 44.43 H new ATOM 0 HB3 CYS A 36 2.881 19.239 -39.602 1.00 44.43 H new ATOM 0 HG CYS A 36 0.353 17.478 -40.753 1.00 20.21 H new ATOM 535 N TRP A 37 4.569 17.530 -39.981 1.00 43.43 N ATOM 536 CA TRP A 37 6.018 17.486 -40.147 1.00 13.32 C ATOM 537 C TRP A 37 6.586 18.888 -40.341 1.00 63.54 C ATOM 538 O TRP A 37 5.867 19.881 -40.234 1.00 34.14 O ATOM 539 CB TRP A 37 6.389 16.602 -41.338 1.00 72.13 C ATOM 540 CG TRP A 37 5.329 16.556 -42.397 1.00 51.20 C ATOM 541 CD1 TRP A 37 4.620 15.461 -42.801 1.00 24.44 C ATOM 542 CD2 TRP A 37 4.860 17.654 -43.188 1.00 32.41 C ATOM 543 NE1 TRP A 37 3.739 15.811 -43.795 1.00 31.02 N ATOM 544 CE2 TRP A 37 3.866 17.151 -44.050 1.00 34.21 C ATOM 545 CE3 TRP A 37 5.181 19.012 -43.250 1.00 40.13 C ATOM 546 CZ2 TRP A 37 3.193 17.960 -44.962 1.00 64.33 C ATOM 547 CZ3 TRP A 37 4.513 19.814 -44.157 1.00 22.54 C ATOM 548 CH2 TRP A 37 3.528 19.286 -45.002 1.00 62.11 C ATOM 0 H TRP A 37 4.058 17.829 -40.812 1.00 43.43 H new ATOM 0 HA TRP A 37 6.450 17.061 -39.241 1.00 13.32 H new ATOM 0 HB2 TRP A 37 7.316 16.968 -41.778 1.00 72.13 H new ATOM 0 HB3 TRP A 37 6.582 15.590 -40.983 1.00 72.13 H new ATOM 0 HD1 TRP A 37 4.735 14.466 -42.398 1.00 24.44 H new ATOM 0 HE1 TRP A 37 3.095 15.176 -44.267 1.00 31.02 H new ATOM 0 HE3 TRP A 37 5.937 19.428 -42.601 1.00 40.13 H new ATOM 0 HZ2 TRP A 37 2.434 17.555 -45.615 1.00 64.33 H new ATOM 0 HZ3 TRP A 37 4.755 20.865 -44.215 1.00 22.54 H new ATOM 0 HH2 TRP A 37 3.023 19.939 -45.699 1.00 62.11 H new ATOM 559 N CYS A 38 7.882 18.961 -40.629 1.00 15.21 N ATOM 560 CA CYS A 38 8.547 20.241 -40.838 1.00 42.25 C ATOM 561 C CYS A 38 7.762 21.109 -41.817 1.00 55.13 C ATOM 562 O CYS A 38 7.674 20.800 -43.006 1.00 50.11 O ATOM 563 CB CYS A 38 9.968 20.021 -41.362 1.00 10.22 C ATOM 564 SG CYS A 38 10.081 18.816 -42.723 1.00 33.42 S ATOM 0 H CYS A 38 8.492 18.149 -40.723 1.00 15.21 H new ATOM 0 HA CYS A 38 8.595 20.758 -39.879 1.00 42.25 H new ATOM 0 HB2 CYS A 38 10.370 20.975 -41.702 1.00 10.22 H new ATOM 0 HB3 CYS A 38 10.599 19.684 -40.539 1.00 10.22 H new ATOM 569 N CYS A 39 7.192 22.197 -41.309 1.00 73.43 N ATOM 570 CA CYS A 39 6.413 23.110 -42.137 1.00 0.13 C ATOM 571 C CYS A 39 7.252 23.646 -43.293 1.00 3.42 C ATOM 572 O CYS A 39 8.394 23.230 -43.491 1.00 63.54 O ATOM 573 CB CYS A 39 5.886 24.272 -41.293 1.00 14.22 C ATOM 574 SG CYS A 39 4.112 24.157 -40.895 1.00 54.20 S ATOM 0 H CYS A 39 7.255 22.468 -40.328 1.00 73.43 H new ATOM 0 HA CYS A 39 5.569 22.557 -42.550 1.00 0.13 H new ATOM 0 HB2 CYS A 39 6.454 24.319 -40.364 1.00 14.22 H new ATOM 0 HB3 CYS A 39 6.068 25.206 -41.825 1.00 14.22 H new ATOM 579 N LEU A 40 6.679 24.573 -44.052 1.00 51.15 N ATOM 580 CA LEU A 40 7.373 25.168 -45.189 1.00 65.22 C ATOM 581 C LEU A 40 8.788 25.589 -44.804 1.00 31.15 C ATOM 582 O LEU A 40 9.768 25.051 -45.319 1.00 4.44 O ATOM 583 CB LEU A 40 6.595 26.376 -45.713 1.00 75.40 C ATOM 584 CG LEU A 40 6.160 26.310 -47.178 1.00 10.24 C ATOM 585 CD1 LEU A 40 4.849 27.053 -47.379 1.00 15.40 C ATOM 586 CD2 LEU A 40 7.243 26.881 -48.081 1.00 50.43 C ATOM 0 H LEU A 40 5.735 24.929 -43.901 1.00 51.15 H new ATOM 0 HA LEU A 40 7.438 24.417 -45.976 1.00 65.22 H new ATOM 0 HB2 LEU A 40 5.706 26.506 -45.096 1.00 75.40 H new ATOM 0 HB3 LEU A 40 7.210 27.266 -45.577 1.00 75.40 H new ATOM 0 HG LEU A 40 6.006 25.265 -47.445 1.00 10.24 H new ATOM 0 HD11 LEU A 40 4.555 26.995 -48.427 1.00 15.40 H new ATOM 0 HD12 LEU A 40 4.075 26.600 -46.760 1.00 15.40 H new ATOM 0 HD13 LEU A 40 4.975 28.098 -47.095 1.00 15.40 H new ATOM 0 HD21 LEU A 40 6.917 26.826 -49.120 1.00 50.43 H new ATOM 0 HD22 LEU A 40 7.429 27.921 -47.813 1.00 50.43 H new ATOM 0 HD23 LEU A 40 8.160 26.305 -47.958 1.00 50.43 H new ATOM 598 N ARG A 41 8.885 26.552 -43.893 1.00 24.11 N ATOM 599 CA ARG A 41 10.180 27.044 -43.437 1.00 52.32 C ATOM 600 C ARG A 41 10.028 27.879 -42.169 1.00 42.21 C ATOM 601 O ARG A 41 8.942 28.373 -41.864 1.00 53.12 O ATOM 602 CB ARG A 41 10.847 27.878 -44.533 1.00 13.01 C ATOM 603 CG ARG A 41 10.227 29.254 -44.713 1.00 5.42 C ATOM 604 CD ARG A 41 11.203 30.358 -44.334 1.00 71.15 C ATOM 605 NE ARG A 41 12.160 30.632 -45.403 1.00 3.13 N ATOM 606 CZ ARG A 41 12.943 31.705 -45.431 1.00 11.14 C ATOM 607 NH1 ARG A 41 12.882 32.600 -44.454 1.00 22.42 N ATOM 608 NH2 ARG A 41 13.789 31.885 -46.437 1.00 20.31 N ATOM 0 H ARG A 41 8.083 27.007 -43.456 1.00 24.11 H new ATOM 0 HA ARG A 41 10.809 26.183 -43.211 1.00 52.32 H new ATOM 0 HB2 ARG A 41 11.905 27.993 -44.297 1.00 13.01 H new ATOM 0 HB3 ARG A 41 10.788 27.336 -45.477 1.00 13.01 H new ATOM 0 HG2 ARG A 41 9.916 29.382 -45.750 1.00 5.42 H new ATOM 0 HG3 ARG A 41 9.330 29.333 -44.099 1.00 5.42 H new ATOM 0 HD2 ARG A 41 10.649 31.267 -44.101 1.00 71.15 H new ATOM 0 HD3 ARG A 41 11.741 30.072 -43.430 1.00 71.15 H new ATOM 0 HE ARG A 41 12.231 29.963 -46.170 1.00 3.13 H new ATOM 0 HH11 ARG A 41 12.233 32.465 -43.679 1.00 22.42 H new ATOM 0 HH12 ARG A 41 13.484 33.423 -44.478 1.00 22.42 H new ATOM 0 HH21 ARG A 41 13.839 31.199 -47.190 1.00 20.31 H new ATOM 0 HH22 ARG A 41 14.389 32.709 -46.457 1.00 20.31 H new ATOM 622 N LEU A 42 11.124 28.033 -41.434 1.00 33.55 N ATOM 623 CA LEU A 42 11.113 28.807 -40.198 1.00 1.45 C ATOM 624 C LEU A 42 12.520 29.270 -39.833 1.00 21.12 C ATOM 625 O LEU A 42 13.498 28.555 -40.055 1.00 13.13 O ATOM 626 CB LEU A 42 10.525 27.976 -39.056 1.00 65.31 C ATOM 627 CG LEU A 42 10.849 26.482 -39.078 1.00 65.54 C ATOM 628 CD1 LEU A 42 11.350 26.023 -37.717 1.00 51.44 C ATOM 629 CD2 LEU A 42 9.628 25.677 -39.498 1.00 52.10 C ATOM 0 H LEU A 42 12.031 27.632 -41.673 1.00 33.55 H new ATOM 0 HA LEU A 42 10.490 29.687 -40.356 1.00 1.45 H new ATOM 0 HB2 LEU A 42 10.879 28.390 -38.112 1.00 65.31 H new ATOM 0 HB3 LEU A 42 9.441 28.093 -39.069 1.00 65.31 H new ATOM 0 HG LEU A 42 11.640 26.313 -39.809 1.00 65.54 H new ATOM 0 HD11 LEU A 42 11.575 24.957 -37.753 1.00 51.44 H new ATOM 0 HD12 LEU A 42 12.252 26.576 -37.456 1.00 51.44 H new ATOM 0 HD13 LEU A 42 10.582 26.207 -36.966 1.00 51.44 H new ATOM 0 HD21 LEU A 42 9.878 24.616 -39.508 1.00 52.10 H new ATOM 0 HD22 LEU A 42 8.816 25.852 -38.792 1.00 52.10 H new ATOM 0 HD23 LEU A 42 9.314 25.985 -40.495 1.00 52.10 H new ATOM 641 N LYS A 43 12.616 30.470 -39.270 1.00 35.32 N ATOM 642 CA LYS A 43 13.902 31.028 -38.870 1.00 71.21 C ATOM 643 C LYS A 43 14.085 30.945 -37.358 1.00 72.11 C ATOM 644 O LYS A 43 14.967 31.591 -36.792 1.00 65.12 O ATOM 645 CB LYS A 43 14.014 32.483 -39.329 1.00 43.31 C ATOM 646 CG LYS A 43 12.869 33.361 -38.854 1.00 63.02 C ATOM 647 CD LYS A 43 13.355 34.746 -38.460 1.00 75.11 C ATOM 648 CE LYS A 43 12.255 35.786 -38.613 1.00 45.13 C ATOM 649 NZ LYS A 43 12.001 36.516 -37.340 1.00 43.14 N ATOM 0 H LYS A 43 11.817 31.075 -39.080 1.00 35.32 H new ATOM 0 HA LYS A 43 14.688 30.442 -39.346 1.00 71.21 H new ATOM 0 HB2 LYS A 43 14.954 32.898 -38.966 1.00 43.31 H new ATOM 0 HB3 LYS A 43 14.053 32.510 -40.418 1.00 43.31 H new ATOM 0 HG2 LYS A 43 12.123 33.447 -39.644 1.00 63.02 H new ATOM 0 HG3 LYS A 43 12.378 32.891 -38.002 1.00 63.02 H new ATOM 0 HD2 LYS A 43 13.702 34.731 -37.427 1.00 75.11 H new ATOM 0 HD3 LYS A 43 14.208 35.023 -39.079 1.00 75.11 H new ATOM 0 HE2 LYS A 43 12.534 36.498 -39.390 1.00 45.13 H new ATOM 0 HE3 LYS A 43 11.337 35.298 -38.941 1.00 45.13 H new ATOM 0 HZ1 LYS A 43 11.245 37.215 -37.486 1.00 43.14 H new ATOM 0 HZ2 LYS A 43 11.711 35.841 -36.604 1.00 43.14 H new ATOM 0 HZ3 LYS A 43 12.870 37.003 -37.040 1.00 43.14 H new ATOM 663 N THR A 44 13.246 30.144 -36.708 1.00 13.31 N ATOM 664 CA THR A 44 13.315 29.977 -35.262 1.00 21.32 C ATOM 665 C THR A 44 12.402 28.849 -34.795 1.00 22.14 C ATOM 666 O THR A 44 12.744 28.097 -33.882 1.00 23.40 O ATOM 667 CB THR A 44 12.927 31.274 -34.527 1.00 25.43 C ATOM 668 OG1 THR A 44 13.224 31.153 -33.131 1.00 32.20 O ATOM 669 CG2 THR A 44 11.449 31.579 -34.712 1.00 12.22 C ATOM 0 H THR A 44 12.511 29.601 -37.161 1.00 13.31 H new ATOM 0 HA THR A 44 14.349 29.728 -35.022 1.00 21.32 H new ATOM 0 HB THR A 44 13.506 32.094 -34.952 1.00 25.43 H new ATOM 0 HG1 THR A 44 12.976 31.982 -32.671 1.00 32.20 H new ATOM 0 HG21 THR A 44 11.199 32.499 -34.184 1.00 12.22 H new ATOM 0 HG22 THR A 44 11.232 31.699 -35.773 1.00 12.22 H new ATOM 0 HG23 THR A 44 10.855 30.758 -34.311 1.00 12.22 H new ATOM 677 N LYS A 45 11.239 28.736 -35.426 1.00 73.32 N ATOM 678 CA LYS A 45 10.276 27.698 -35.077 1.00 72.11 C ATOM 679 C LYS A 45 8.982 27.869 -35.866 1.00 72.43 C ATOM 680 O LYS A 45 8.301 26.892 -36.177 1.00 31.32 O ATOM 681 CB LYS A 45 9.979 27.733 -33.576 1.00 53.12 C ATOM 682 CG LYS A 45 8.704 27.002 -33.191 1.00 42.02 C ATOM 683 CD LYS A 45 8.495 27.001 -31.686 1.00 53.32 C ATOM 684 CE LYS A 45 7.971 25.660 -31.197 1.00 61.30 C ATOM 685 NZ LYS A 45 7.721 25.664 -29.729 1.00 72.10 N ATOM 0 H LYS A 45 10.940 29.351 -36.183 1.00 73.32 H new ATOM 0 HA LYS A 45 10.712 26.732 -35.333 1.00 72.11 H new ATOM 0 HB2 LYS A 45 10.818 27.291 -33.038 1.00 53.12 H new ATOM 0 HB3 LYS A 45 9.904 28.771 -33.253 1.00 53.12 H new ATOM 0 HG2 LYS A 45 7.851 27.475 -33.677 1.00 42.02 H new ATOM 0 HG3 LYS A 45 8.748 25.975 -33.554 1.00 42.02 H new ATOM 0 HD2 LYS A 45 9.437 27.229 -31.187 1.00 53.32 H new ATOM 0 HD3 LYS A 45 7.792 27.788 -31.415 1.00 53.32 H new ATOM 0 HE2 LYS A 45 7.047 25.418 -31.722 1.00 61.30 H new ATOM 0 HE3 LYS A 45 8.690 24.878 -31.441 1.00 61.30 H new ATOM 0 HZ1 LYS A 45 7.365 24.732 -29.435 1.00 72.10 H new ATOM 0 HZ2 LYS A 45 8.608 25.870 -29.226 1.00 72.10 H new ATOM 0 HZ3 LYS A 45 7.016 26.393 -29.499 1.00 72.10 H new ATOM 699 N GLN A 46 8.650 29.115 -36.188 1.00 63.23 N ATOM 700 CA GLN A 46 7.438 29.412 -36.942 1.00 61.22 C ATOM 701 C GLN A 46 7.686 30.524 -37.956 1.00 1.23 C ATOM 702 O GLN A 46 8.426 31.470 -37.685 1.00 70.44 O ATOM 703 CB GLN A 46 6.307 29.813 -35.993 1.00 44.03 C ATOM 704 CG GLN A 46 6.620 31.047 -35.162 1.00 30.31 C ATOM 705 CD GLN A 46 5.779 32.245 -35.557 1.00 23.13 C ATOM 706 OE1 GLN A 46 4.609 32.346 -35.186 1.00 4.20 O ATOM 707 NE2 GLN A 46 6.372 33.161 -36.313 1.00 4.21 N ATOM 0 H GLN A 46 9.203 29.935 -35.939 1.00 63.23 H new ATOM 0 HA GLN A 46 7.147 28.511 -37.483 1.00 61.22 H new ATOM 0 HB2 GLN A 46 5.403 29.996 -36.575 1.00 44.03 H new ATOM 0 HB3 GLN A 46 6.092 28.980 -35.324 1.00 44.03 H new ATOM 0 HG2 GLN A 46 6.454 30.823 -34.108 1.00 30.31 H new ATOM 0 HG3 GLN A 46 7.675 31.296 -35.272 1.00 30.31 H new ATOM 0 HE21 GLN A 46 7.344 33.036 -36.597 1.00 4.21 H new ATOM 0 HE22 GLN A 46 5.856 33.989 -36.610 1.00 4.21 H new ATOM 716 N ALA A 47 7.063 30.404 -39.123 1.00 72.13 N ATOM 717 CA ALA A 47 7.215 31.400 -40.176 1.00 53.15 C ATOM 718 C ALA A 47 6.296 31.097 -41.355 1.00 42.04 C ATOM 719 O ALA A 47 5.298 31.785 -41.569 1.00 73.33 O ATOM 720 CB ALA A 47 8.664 31.465 -40.637 1.00 35.24 C ATOM 0 H ALA A 47 6.448 29.627 -39.363 1.00 72.13 H new ATOM 0 HA ALA A 47 6.932 32.370 -39.768 1.00 53.15 H new ATOM 0 HB1 ALA A 47 8.762 32.213 -41.424 1.00 35.24 H new ATOM 0 HB2 ALA A 47 9.302 31.737 -39.796 1.00 35.24 H new ATOM 0 HB3 ALA A 47 8.967 30.491 -41.022 1.00 35.24 H new ATOM 726 N ARG A 48 6.641 30.064 -42.118 1.00 12.42 N ATOM 727 CA ARG A 48 5.848 29.672 -43.276 1.00 72.05 C ATOM 728 C ARG A 48 5.362 28.232 -43.141 1.00 24.34 C ATOM 729 O ARG A 48 6.163 27.306 -43.003 1.00 35.13 O ATOM 730 CB ARG A 48 6.668 29.826 -44.559 1.00 1.15 C ATOM 731 CG ARG A 48 7.343 31.182 -44.690 1.00 63.53 C ATOM 732 CD ARG A 48 7.204 31.739 -46.098 1.00 72.33 C ATOM 733 NE ARG A 48 8.200 31.181 -47.009 1.00 21.21 N ATOM 734 CZ ARG A 48 9.463 31.589 -47.056 1.00 2.22 C ATOM 735 NH1 ARG A 48 9.882 32.553 -46.248 1.00 1.40 N ATOM 736 NH2 ARG A 48 10.310 31.032 -47.912 1.00 4.31 N ATOM 0 H ARG A 48 7.464 29.484 -41.954 1.00 12.42 H new ATOM 0 HA ARG A 48 4.979 30.328 -43.327 1.00 72.05 H new ATOM 0 HB2 ARG A 48 7.429 29.046 -44.590 1.00 1.15 H new ATOM 0 HB3 ARG A 48 6.016 29.669 -45.418 1.00 1.15 H new ATOM 0 HG2 ARG A 48 6.903 31.879 -43.977 1.00 63.53 H new ATOM 0 HG3 ARG A 48 8.399 31.090 -44.436 1.00 63.53 H new ATOM 0 HD2 ARG A 48 6.205 31.522 -46.476 1.00 72.33 H new ATOM 0 HD3 ARG A 48 7.306 32.824 -46.070 1.00 72.33 H new ATOM 0 HE ARG A 48 7.910 30.437 -47.644 1.00 21.21 H new ATOM 0 HH11 ARG A 48 9.234 32.983 -45.588 1.00 1.40 H new ATOM 0 HH12 ARG A 48 10.853 32.864 -46.286 1.00 1.40 H new ATOM 0 HH21 ARG A 48 9.991 30.290 -48.535 1.00 4.31 H new ATOM 0 HH22 ARG A 48 11.280 31.346 -47.947 1.00 4.31 H new ATOM 750 N CYS A 49 4.047 28.050 -43.180 1.00 14.11 N ATOM 751 CA CYS A 49 3.453 26.724 -43.060 1.00 64.23 C ATOM 752 C CYS A 49 2.613 26.391 -44.290 1.00 14.25 C ATOM 753 O CYS A 49 2.502 27.196 -45.214 1.00 73.14 O ATOM 754 CB CYS A 49 2.590 26.640 -41.800 1.00 54.32 C ATOM 755 SG CYS A 49 3.230 25.498 -40.534 1.00 62.10 S ATOM 0 H CYS A 49 3.371 28.805 -43.294 1.00 14.11 H new ATOM 0 HA CYS A 49 4.261 25.997 -42.986 1.00 64.23 H new ATOM 0 HB2 CYS A 49 2.503 27.636 -41.365 1.00 54.32 H new ATOM 0 HB3 CYS A 49 1.585 26.327 -42.082 1.00 54.32 H new ATOM 760 N TRP A 50 2.023 25.201 -44.291 1.00 52.32 N ATOM 761 CA TRP A 50 1.192 24.762 -45.406 1.00 53.04 C ATOM 762 C TRP A 50 -0.275 25.096 -45.157 1.00 1.01 C ATOM 763 O TRP A 50 -0.862 24.660 -44.167 1.00 21.54 O ATOM 764 CB TRP A 50 1.354 23.257 -45.629 1.00 2.53 C ATOM 765 CG TRP A 50 1.387 22.871 -47.076 1.00 40.15 C ATOM 766 CD1 TRP A 50 0.396 23.057 -47.997 1.00 75.00 C ATOM 767 CD2 TRP A 50 2.465 22.231 -47.768 1.00 51.34 C ATOM 768 NE1 TRP A 50 0.792 22.571 -49.220 1.00 1.23 N ATOM 769 CE2 TRP A 50 2.058 22.060 -49.106 1.00 51.42 C ATOM 770 CE3 TRP A 50 3.735 21.788 -47.389 1.00 14.10 C ATOM 771 CZ2 TRP A 50 2.876 21.464 -50.062 1.00 51.43 C ATOM 772 CZ3 TRP A 50 4.545 21.197 -48.339 1.00 62.41 C ATOM 773 CH2 TRP A 50 4.114 21.040 -49.663 1.00 70.30 C ATOM 0 H TRP A 50 2.105 24.523 -43.533 1.00 52.32 H new ATOM 0 HA TRP A 50 1.519 25.292 -46.300 1.00 53.04 H new ATOM 0 HB2 TRP A 50 2.275 22.923 -45.150 1.00 2.53 H new ATOM 0 HB3 TRP A 50 0.532 22.734 -45.140 1.00 2.53 H new ATOM 0 HD1 TRP A 50 -0.559 23.518 -47.794 1.00 75.00 H new ATOM 0 HE1 TRP A 50 0.234 22.588 -50.074 1.00 1.23 H new ATOM 0 HE3 TRP A 50 4.077 21.906 -46.371 1.00 14.10 H new ATOM 0 HZ2 TRP A 50 2.545 21.341 -51.083 1.00 51.43 H new ATOM 0 HZ3 TRP A 50 5.528 20.850 -48.056 1.00 62.41 H new ATOM 0 HH2 TRP A 50 4.772 20.575 -50.382 1.00 70.30 H new ATOM 784 N LYS A 51 -0.862 25.873 -46.061 1.00 34.51 N ATOM 785 CA LYS A 51 -2.262 26.264 -45.940 1.00 43.42 C ATOM 786 C LYS A 51 -3.184 25.133 -46.383 1.00 23.44 C ATOM 787 O LYS A 51 -3.514 25.015 -47.562 1.00 31.10 O ATOM 788 CB LYS A 51 -2.536 27.516 -46.776 1.00 51.44 C ATOM 789 CG LYS A 51 -2.640 28.788 -45.952 1.00 21.31 C ATOM 790 CD LYS A 51 -2.066 29.983 -46.695 1.00 30.43 C ATOM 791 CE LYS A 51 -1.131 30.792 -45.810 1.00 3.32 C ATOM 792 NZ LYS A 51 -0.874 32.148 -46.369 1.00 1.42 N ATOM 0 H LYS A 51 -0.390 26.244 -46.886 1.00 34.51 H new ATOM 0 HA LYS A 51 -2.463 26.482 -44.891 1.00 43.42 H new ATOM 0 HB2 LYS A 51 -1.739 27.633 -47.511 1.00 51.44 H new ATOM 0 HB3 LYS A 51 -3.464 27.376 -47.331 1.00 51.44 H new ATOM 0 HG2 LYS A 51 -3.685 28.979 -45.706 1.00 21.31 H new ATOM 0 HG3 LYS A 51 -2.110 28.656 -45.009 1.00 21.31 H new ATOM 0 HD2 LYS A 51 -1.527 29.639 -47.578 1.00 30.43 H new ATOM 0 HD3 LYS A 51 -2.878 30.619 -47.046 1.00 30.43 H new ATOM 0 HE2 LYS A 51 -1.564 30.886 -44.814 1.00 3.32 H new ATOM 0 HE3 LYS A 51 -0.186 30.260 -45.698 1.00 3.32 H new ATOM 0 HZ1 LYS A 51 -0.232 32.668 -45.737 1.00 1.42 H new ATOM 0 HZ2 LYS A 51 -0.437 32.059 -47.309 1.00 1.42 H new ATOM 0 HZ3 LYS A 51 -1.772 32.665 -46.452 1.00 1.42 H new ATOM 806 N GLU A 52 -3.596 24.304 -45.428 1.00 52.03 N ATOM 807 CA GLU A 52 -4.481 23.183 -45.721 1.00 61.53 C ATOM 808 C GLU A 52 -5.830 23.674 -46.237 1.00 53.30 C ATOM 809 O GLU A 52 -6.609 22.907 -46.804 1.00 44.11 O ATOM 810 CB GLU A 52 -4.683 22.323 -44.471 1.00 43.24 C ATOM 811 CG GLU A 52 -3.388 21.976 -43.756 1.00 1.42 C ATOM 812 CD GLU A 52 -3.304 22.590 -42.372 1.00 2.41 C ATOM 813 OE1 GLU A 52 -3.282 23.835 -42.275 1.00 13.04 O ATOM 814 OE2 GLU A 52 -3.260 21.825 -41.386 1.00 3.12 O ATOM 0 H GLU A 52 -3.331 24.388 -44.447 1.00 52.03 H new ATOM 0 HA GLU A 52 -4.013 22.578 -46.498 1.00 61.53 H new ATOM 0 HB2 GLU A 52 -5.340 22.850 -43.780 1.00 43.24 H new ATOM 0 HB3 GLU A 52 -5.191 21.401 -44.753 1.00 43.24 H new ATOM 0 HG2 GLU A 52 -3.301 20.893 -43.675 1.00 1.42 H new ATOM 0 HG3 GLU A 52 -2.544 22.320 -44.354 1.00 1.42 H new ATOM 821 N LYS A 53 -6.101 24.959 -46.035 1.00 53.44 N ATOM 822 CA LYS A 53 -7.355 25.556 -46.480 1.00 14.25 C ATOM 823 C LYS A 53 -7.357 25.758 -47.991 1.00 63.35 C ATOM 824 O LYS A 53 -8.403 25.684 -48.635 1.00 41.40 O ATOM 825 CB LYS A 53 -7.584 26.896 -45.776 1.00 20.34 C ATOM 826 CG LYS A 53 -6.551 27.952 -46.128 1.00 23.14 C ATOM 827 CD LYS A 53 -6.574 29.106 -45.139 1.00 61.23 C ATOM 828 CE LYS A 53 -6.489 30.449 -45.848 1.00 64.33 C ATOM 829 NZ LYS A 53 -7.234 31.510 -45.117 1.00 5.54 N ATOM 0 H LYS A 53 -5.469 25.607 -45.566 1.00 53.44 H new ATOM 0 HA LYS A 53 -8.164 24.873 -46.222 1.00 14.25 H new ATOM 0 HB2 LYS A 53 -8.575 27.268 -46.035 1.00 20.34 H new ATOM 0 HB3 LYS A 53 -7.576 26.737 -44.698 1.00 20.34 H new ATOM 0 HG2 LYS A 53 -5.558 27.502 -46.140 1.00 23.14 H new ATOM 0 HG3 LYS A 53 -6.742 28.329 -47.133 1.00 23.14 H new ATOM 0 HD2 LYS A 53 -7.489 29.062 -44.548 1.00 61.23 H new ATOM 0 HD3 LYS A 53 -5.741 29.007 -44.443 1.00 61.23 H new ATOM 0 HE2 LYS A 53 -5.444 30.742 -45.947 1.00 64.33 H new ATOM 0 HE3 LYS A 53 -6.890 30.353 -46.857 1.00 64.33 H new ATOM 0 HZ1 LYS A 53 -7.152 32.410 -45.632 1.00 5.54 H new ATOM 0 HZ2 LYS A 53 -8.237 31.243 -45.044 1.00 5.54 H new ATOM 0 HZ3 LYS A 53 -6.835 31.620 -44.163 1.00 5.54 H new ATOM 843 N GLU A 54 -6.178 26.010 -48.551 1.00 43.24 N ATOM 844 CA GLU A 54 -6.045 26.221 -49.988 1.00 44.21 C ATOM 845 C GLU A 54 -5.470 24.982 -50.669 1.00 51.31 C ATOM 846 O GLU A 54 -5.911 24.594 -51.751 1.00 52.10 O ATOM 847 CB GLU A 54 -5.151 27.431 -50.268 1.00 4.13 C ATOM 848 CG GLU A 54 -5.864 28.764 -50.113 1.00 21.32 C ATOM 849 CD GLU A 54 -6.266 29.369 -51.444 1.00 22.41 C ATOM 850 OE1 GLU A 54 -5.369 29.819 -52.187 1.00 22.23 O ATOM 851 OE2 GLU A 54 -7.478 29.391 -51.743 1.00 13.23 O ATOM 0 H GLU A 54 -5.302 26.073 -48.032 1.00 43.24 H new ATOM 0 HA GLU A 54 -7.038 26.410 -50.395 1.00 44.21 H new ATOM 0 HB2 GLU A 54 -4.297 27.405 -49.592 1.00 4.13 H new ATOM 0 HB3 GLU A 54 -4.758 27.355 -51.282 1.00 4.13 H new ATOM 0 HG2 GLU A 54 -6.753 28.627 -49.497 1.00 21.32 H new ATOM 0 HG3 GLU A 54 -5.214 29.460 -49.583 1.00 21.32 H new ATOM 858 N PHE A 55 -4.483 24.366 -50.028 1.00 3.22 N ATOM 859 CA PHE A 55 -3.846 23.172 -50.571 1.00 42.22 C ATOM 860 C PHE A 55 -4.196 21.942 -49.739 1.00 0.32 C ATOM 861 O PHE A 55 -3.774 21.797 -48.592 1.00 4.05 O ATOM 862 CB PHE A 55 -2.327 23.355 -50.618 1.00 74.21 C ATOM 863 CG PHE A 55 -1.902 24.723 -51.070 1.00 23.42 C ATOM 864 CD1 PHE A 55 -2.022 25.096 -52.399 1.00 3.23 C ATOM 865 CD2 PHE A 55 -1.382 25.635 -50.166 1.00 33.24 C ATOM 866 CE1 PHE A 55 -1.630 26.354 -52.817 1.00 20.10 C ATOM 867 CE2 PHE A 55 -0.989 26.894 -50.578 1.00 53.20 C ATOM 868 CZ PHE A 55 -1.114 27.254 -51.905 1.00 54.44 C ATOM 0 H PHE A 55 -4.107 24.674 -49.131 1.00 3.22 H new ATOM 0 HA PHE A 55 -4.218 23.021 -51.584 1.00 42.22 H new ATOM 0 HB2 PHE A 55 -1.915 23.164 -49.627 1.00 74.21 H new ATOM 0 HB3 PHE A 55 -1.900 22.610 -51.289 1.00 74.21 H new ATOM 0 HD1 PHE A 55 -2.426 24.397 -53.116 1.00 3.23 H new ATOM 0 HD2 PHE A 55 -1.283 25.359 -49.127 1.00 33.24 H new ATOM 0 HE1 PHE A 55 -1.727 26.633 -53.856 1.00 20.10 H new ATOM 0 HE2 PHE A 55 -0.585 27.595 -49.863 1.00 53.20 H new ATOM 0 HZ PHE A 55 -0.809 28.238 -52.229 1.00 54.44 H new ATOM 878 N PRO A 56 -4.988 21.035 -50.329 1.00 63.33 N ATOM 879 CA PRO A 56 -5.413 19.801 -49.661 1.00 41.12 C ATOM 880 C PRO A 56 -4.262 18.818 -49.472 1.00 14.43 C ATOM 881 O PRO A 56 -4.350 17.895 -48.664 1.00 23.31 O ATOM 882 CB PRO A 56 -6.459 19.222 -50.618 1.00 4.25 C ATOM 883 CG PRO A 56 -6.098 19.775 -51.953 1.00 11.30 C ATOM 884 CD PRO A 56 -5.528 21.143 -51.695 1.00 33.33 C ATOM 0 HA PRO A 56 -5.792 19.991 -48.657 1.00 41.12 H new ATOM 0 HB2 PRO A 56 -6.433 18.132 -50.621 1.00 4.25 H new ATOM 0 HB3 PRO A 56 -7.467 19.516 -50.327 1.00 4.25 H new ATOM 0 HG2 PRO A 56 -5.370 19.138 -52.456 1.00 11.30 H new ATOM 0 HG3 PRO A 56 -6.973 19.833 -52.601 1.00 11.30 H new ATOM 0 HD2 PRO A 56 -4.751 21.397 -52.416 1.00 33.33 H new ATOM 0 HD3 PRO A 56 -6.293 21.917 -51.765 1.00 33.33 H new ATOM 892 N ASN A 57 -3.185 19.024 -50.222 1.00 4.44 N ATOM 893 CA ASN A 57 -2.016 18.156 -50.136 1.00 33.34 C ATOM 894 C ASN A 57 -1.510 18.065 -48.699 1.00 50.52 C ATOM 895 O ASN A 57 -1.187 16.983 -48.211 1.00 71.01 O ATOM 896 CB ASN A 57 -0.903 18.672 -51.049 1.00 62.12 C ATOM 897 CG ASN A 57 -0.120 17.547 -51.699 1.00 2.23 C ATOM 898 OD1 ASN A 57 0.233 16.539 -50.909 1.00 40.40 O flip ATOM 899 ND2 ASN A 57 0.164 17.584 -52.896 1.00 51.32 N flip ATOM 0 H ASN A 57 -3.097 19.784 -50.896 1.00 4.44 H new ATOM 0 HA ASN A 57 -2.311 17.159 -50.462 1.00 33.34 H new ATOM 0 HB2 ASN A 57 -1.336 19.304 -51.824 1.00 62.12 H new ATOM 0 HB3 ASN A 57 -0.223 19.297 -50.471 1.00 62.12 H new ATOM 0 HD21 ASN A 57 -0.128 18.379 -53.465 1.00 51.32 H new ATOM 0 HD22 ASN A 57 0.691 16.820 -53.319 1.00 51.32 H new ATOM 906 N ALA A 58 -1.444 19.210 -48.028 1.00 13.53 N ATOM 907 CA ALA A 58 -0.980 19.261 -46.647 1.00 33.31 C ATOM 908 C ALA A 58 -1.885 18.441 -45.733 1.00 54.04 C ATOM 909 O ALA A 58 -1.412 17.738 -44.841 1.00 5.25 O ATOM 910 CB ALA A 58 -0.909 20.703 -46.166 1.00 65.53 C ATOM 0 H ALA A 58 -1.706 20.115 -48.418 1.00 13.53 H new ATOM 0 HA ALA A 58 0.019 18.828 -46.610 1.00 33.31 H new ATOM 0 HB1 ALA A 58 -0.561 20.725 -45.133 1.00 65.53 H new ATOM 0 HB2 ALA A 58 -0.216 21.263 -46.795 1.00 65.53 H new ATOM 0 HB3 ALA A 58 -1.899 21.155 -46.225 1.00 65.53 H new ATOM 916 N LYS A 59 -3.191 18.536 -45.962 1.00 1.12 N ATOM 917 CA LYS A 59 -4.164 17.803 -45.160 1.00 43.22 C ATOM 918 C LYS A 59 -3.959 16.298 -45.298 1.00 61.01 C ATOM 919 O LYS A 59 -3.968 15.568 -44.307 1.00 43.53 O ATOM 920 CB LYS A 59 -5.587 18.176 -45.582 1.00 22.22 C ATOM 921 CG LYS A 59 -6.660 17.599 -44.675 1.00 74.34 C ATOM 922 CD LYS A 59 -7.614 16.699 -45.443 1.00 54.35 C ATOM 923 CE LYS A 59 -7.254 15.231 -45.275 1.00 43.31 C ATOM 924 NZ LYS A 59 -8.463 14.362 -45.251 1.00 42.31 N ATOM 0 H LYS A 59 -3.600 19.114 -46.697 1.00 1.12 H new ATOM 0 HA LYS A 59 -4.018 18.077 -44.115 1.00 43.22 H new ATOM 0 HB2 LYS A 59 -5.680 19.262 -45.596 1.00 22.22 H new ATOM 0 HB3 LYS A 59 -5.758 17.828 -46.601 1.00 22.22 H new ATOM 0 HG2 LYS A 59 -6.192 17.032 -43.871 1.00 74.34 H new ATOM 0 HG3 LYS A 59 -7.219 18.411 -44.209 1.00 74.34 H new ATOM 0 HD2 LYS A 59 -8.633 16.867 -45.095 1.00 54.35 H new ATOM 0 HD3 LYS A 59 -7.591 16.961 -46.501 1.00 54.35 H new ATOM 0 HE2 LYS A 59 -6.601 14.922 -46.091 1.00 43.31 H new ATOM 0 HE3 LYS A 59 -6.693 15.098 -44.350 1.00 43.31 H new ATOM 0 HZ1 LYS A 59 -8.175 13.369 -45.135 1.00 42.31 H new ATOM 0 HZ2 LYS A 59 -9.075 14.640 -44.457 1.00 42.31 H new ATOM 0 HZ3 LYS A 59 -8.985 14.469 -46.144 1.00 42.31 H new ATOM 938 N GLU A 60 -3.773 15.841 -46.533 1.00 15.13 N ATOM 939 CA GLU A 60 -3.566 14.422 -46.798 1.00 42.43 C ATOM 940 C GLU A 60 -2.245 13.945 -46.201 1.00 71.24 C ATOM 941 O GLU A 60 -2.166 12.856 -45.630 1.00 14.40 O ATOM 942 CB GLU A 60 -3.584 14.155 -48.305 1.00 24.12 C ATOM 943 CG GLU A 60 -4.878 13.530 -48.797 1.00 13.12 C ATOM 944 CD GLU A 60 -4.746 12.927 -50.182 1.00 25.34 C ATOM 945 OE1 GLU A 60 -3.706 12.292 -50.455 1.00 70.55 O ATOM 946 OE2 GLU A 60 -5.682 13.090 -50.991 1.00 73.04 O ATOM 0 H GLU A 60 -3.761 16.432 -47.364 1.00 15.13 H new ATOM 0 HA GLU A 60 -4.378 13.867 -46.328 1.00 42.43 H new ATOM 0 HB2 GLU A 60 -3.420 15.094 -48.834 1.00 24.12 H new ATOM 0 HB3 GLU A 60 -2.753 13.497 -48.559 1.00 24.12 H new ATOM 0 HG2 GLU A 60 -5.192 12.756 -48.097 1.00 13.12 H new ATOM 0 HG3 GLU A 60 -5.662 14.288 -48.808 1.00 13.12 H new ATOM 953 N LEU A 61 -1.210 14.766 -46.339 1.00 23.34 N ATOM 954 CA LEU A 61 0.109 14.428 -45.814 1.00 10.23 C ATOM 955 C LEU A 61 0.100 14.410 -44.289 1.00 34.44 C ATOM 956 O LEU A 61 0.715 13.545 -43.664 1.00 0.23 O ATOM 957 CB LEU A 61 1.151 15.429 -46.317 1.00 21.24 C ATOM 958 CG LEU A 61 1.337 15.499 -47.833 1.00 3.14 C ATOM 959 CD1 LEU A 61 1.829 16.877 -48.247 1.00 3.24 C ATOM 960 CD2 LEU A 61 2.305 14.422 -48.302 1.00 13.23 C ATOM 0 H LEU A 61 -1.258 15.670 -46.809 1.00 23.34 H new ATOM 0 HA LEU A 61 0.370 13.431 -46.169 1.00 10.23 H new ATOM 0 HB2 LEU A 61 0.875 16.421 -45.959 1.00 21.24 H new ATOM 0 HB3 LEU A 61 2.111 15.182 -45.864 1.00 21.24 H new ATOM 0 HG LEU A 61 0.371 15.323 -48.307 1.00 3.14 H new ATOM 0 HD11 LEU A 61 1.956 16.908 -49.329 1.00 3.24 H new ATOM 0 HD12 LEU A 61 1.100 17.629 -47.945 1.00 3.24 H new ATOM 0 HD13 LEU A 61 2.784 17.083 -47.764 1.00 3.24 H new ATOM 0 HD21 LEU A 61 2.425 14.487 -49.383 1.00 13.23 H new ATOM 0 HD22 LEU A 61 3.272 14.567 -47.820 1.00 13.23 H new ATOM 0 HD23 LEU A 61 1.912 13.440 -48.039 1.00 13.23 H new ATOM 972 N CYS A 62 -0.604 15.368 -43.695 1.00 32.53 N ATOM 973 CA CYS A 62 -0.696 15.461 -42.243 1.00 12.23 C ATOM 974 C CYS A 62 -1.478 14.282 -41.670 1.00 5.20 C ATOM 975 O CYS A 62 -1.112 13.725 -40.635 1.00 1.45 O ATOM 976 CB CYS A 62 -1.365 16.776 -41.837 1.00 31.01 C ATOM 977 SG CYS A 62 -0.199 18.072 -41.311 1.00 5.50 S ATOM 0 H CYS A 62 -1.119 16.091 -44.197 1.00 32.53 H new ATOM 0 HA CYS A 62 0.315 15.435 -41.838 1.00 12.23 H new ATOM 0 HB2 CYS A 62 -1.950 17.148 -42.678 1.00 31.01 H new ATOM 0 HB3 CYS A 62 -2.064 16.580 -41.024 1.00 31.01 H new ATOM 0 HG CYS A 62 0.073 17.925 -40.048 1.00 5.50 H new ATOM 982 N PHE A 63 -2.555 13.907 -42.351 1.00 71.11 N ATOM 983 CA PHE A 63 -3.389 12.795 -41.910 1.00 71.24 C ATOM 984 C PHE A 63 -2.696 11.460 -42.168 1.00 73.13 C ATOM 985 O PHE A 63 -2.715 10.565 -41.324 1.00 13.24 O ATOM 986 CB PHE A 63 -4.740 12.828 -42.627 1.00 75.33 C ATOM 987 CG PHE A 63 -5.875 13.271 -41.748 1.00 62.40 C ATOM 988 CD1 PHE A 63 -5.777 14.433 -41.001 1.00 5.22 C ATOM 989 CD2 PHE A 63 -7.039 12.524 -41.668 1.00 73.14 C ATOM 990 CE1 PHE A 63 -6.819 14.844 -40.191 1.00 24.21 C ATOM 991 CE2 PHE A 63 -8.085 12.930 -40.861 1.00 22.33 C ATOM 992 CZ PHE A 63 -7.974 14.090 -40.120 1.00 41.31 C ATOM 0 H PHE A 63 -2.871 14.356 -43.210 1.00 71.11 H new ATOM 0 HA PHE A 63 -3.552 12.898 -40.837 1.00 71.24 H new ATOM 0 HB2 PHE A 63 -4.671 13.499 -43.484 1.00 75.33 H new ATOM 0 HB3 PHE A 63 -4.960 11.834 -43.017 1.00 75.33 H new ATOM 0 HD1 PHE A 63 -4.875 15.025 -41.052 1.00 5.22 H new ATOM 0 HD2 PHE A 63 -7.130 11.614 -42.243 1.00 73.14 H new ATOM 0 HE1 PHE A 63 -6.730 15.753 -39.615 1.00 24.21 H new ATOM 0 HE2 PHE A 63 -8.988 12.341 -40.810 1.00 22.33 H new ATOM 0 HZ PHE A 63 -8.789 14.407 -39.486 1.00 41.31 H new ATOM 1002 N ALA A 64 -2.086 11.334 -43.342 1.00 43.10 N ATOM 1003 CA ALA A 64 -1.386 10.110 -43.712 1.00 4.24 C ATOM 1004 C ALA A 64 -0.046 10.005 -42.990 1.00 72.32 C ATOM 1005 O ALA A 64 0.522 8.920 -42.872 1.00 32.12 O ATOM 1006 CB ALA A 64 -1.182 10.053 -45.218 1.00 44.23 C ATOM 0 H ALA A 64 -2.062 12.065 -44.053 1.00 43.10 H new ATOM 0 HA ALA A 64 -2.001 9.263 -43.408 1.00 4.24 H new ATOM 0 HB1 ALA A 64 -0.658 9.134 -45.480 1.00 44.23 H new ATOM 0 HB2 ALA A 64 -2.151 10.073 -45.717 1.00 44.23 H new ATOM 0 HB3 ALA A 64 -0.591 10.911 -45.538 1.00 44.23 H new ATOM 1012 N ASN A 65 0.453 11.139 -42.510 1.00 42.14 N ATOM 1013 CA ASN A 65 1.727 11.174 -41.801 1.00 62.24 C ATOM 1014 C ASN A 65 1.756 10.137 -40.683 1.00 33.23 C ATOM 1015 O ASN A 65 1.157 10.332 -39.625 1.00 11.34 O ATOM 1016 CB ASN A 65 1.976 12.569 -41.225 1.00 40.11 C ATOM 1017 CG ASN A 65 2.834 12.534 -39.975 1.00 33.21 C ATOM 1018 OD1 ASN A 65 4.044 12.322 -40.045 1.00 44.11 O ATOM 1019 ND2 ASN A 65 2.208 12.741 -38.822 1.00 52.42 N ATOM 0 H ASN A 65 -0.005 12.046 -42.599 1.00 42.14 H new ATOM 0 HA ASN A 65 2.517 10.936 -42.513 1.00 62.24 H new ATOM 0 HB2 ASN A 65 2.462 13.189 -41.979 1.00 40.11 H new ATOM 0 HB3 ASN A 65 1.020 13.039 -40.993 1.00 40.11 H new ATOM 0 HD21 ASN A 65 2.733 12.728 -37.947 1.00 52.42 H new ATOM 0 HD22 ASN A 65 1.203 12.913 -38.811 1.00 52.42 H new ATOM 1026 N CYS A 66 2.456 9.034 -40.924 1.00 31.42 N ATOM 1027 CA CYS A 66 2.564 7.965 -39.938 1.00 73.10 C ATOM 1028 C CYS A 66 3.954 7.337 -39.966 1.00 4.41 C ATOM 1029 O CYS A 66 4.617 7.282 -41.002 1.00 41.11 O ATOM 1030 CB CYS A 66 1.503 6.893 -40.199 1.00 3.33 C ATOM 1031 SG CYS A 66 0.065 6.984 -39.085 1.00 12.34 S ATOM 0 H CYS A 66 2.957 8.857 -41.794 1.00 31.42 H new ATOM 0 HA CYS A 66 2.400 8.397 -38.951 1.00 73.10 H new ATOM 0 HB2 CYS A 66 1.157 6.982 -41.229 1.00 3.33 H new ATOM 0 HB3 CYS A 66 1.963 5.910 -40.101 1.00 3.33 H new ATOM 1036 N PRO A 67 4.408 6.852 -38.801 1.00 1.44 N ATOM 1037 CA PRO A 67 5.723 6.219 -38.665 1.00 2.21 C ATOM 1038 C PRO A 67 5.791 4.867 -39.366 1.00 73.14 C ATOM 1039 O PRO A 67 4.778 4.306 -39.785 1.00 15.34 O ATOM 1040 CB PRO A 67 5.879 6.045 -37.152 1.00 52.31 C ATOM 1041 CG PRO A 67 4.484 5.988 -36.632 1.00 0.31 C ATOM 1042 CD PRO A 67 3.672 6.884 -37.526 1.00 12.23 C ATOM 0 HA PRO A 67 6.512 6.816 -39.123 1.00 2.21 H new ATOM 0 HB2 PRO A 67 6.428 5.134 -36.913 1.00 52.31 H new ATOM 0 HB3 PRO A 67 6.432 6.875 -36.713 1.00 52.31 H new ATOM 0 HG2 PRO A 67 4.102 4.967 -36.651 1.00 0.31 H new ATOM 0 HG3 PRO A 67 4.439 6.326 -35.597 1.00 0.31 H new ATOM 0 HD2 PRO A 67 2.652 6.518 -37.642 1.00 12.23 H new ATOM 0 HD3 PRO A 67 3.604 7.896 -37.126 1.00 12.23 H new ATOM 1050 N PRO A 68 7.012 4.328 -39.499 1.00 0.50 N ATOM 1051 CA PRO A 68 7.240 3.034 -40.149 1.00 3.52 C ATOM 1052 C PRO A 68 6.709 1.869 -39.322 1.00 31.31 C ATOM 1053 O PRO A 68 6.136 2.065 -38.249 1.00 42.22 O ATOM 1054 CB PRO A 68 8.765 2.959 -40.262 1.00 71.42 C ATOM 1055 CG PRO A 68 9.270 3.833 -39.167 1.00 22.21 C ATOM 1056 CD PRO A 68 8.264 4.941 -39.024 1.00 40.22 C ATOM 0 HA PRO A 68 6.724 2.961 -41.106 1.00 3.52 H new ATOM 0 HB2 PRO A 68 9.120 1.935 -40.147 1.00 71.42 H new ATOM 0 HB3 PRO A 68 9.107 3.308 -41.236 1.00 71.42 H new ATOM 0 HG2 PRO A 68 9.370 3.274 -38.236 1.00 22.21 H new ATOM 0 HG3 PRO A 68 10.256 4.230 -39.408 1.00 22.21 H new ATOM 0 HD2 PRO A 68 8.180 5.277 -37.990 1.00 40.22 H new ATOM 0 HD3 PRO A 68 8.537 5.811 -39.621 1.00 40.22 H new ATOM 1064 N LEU A 69 6.902 0.655 -39.826 1.00 42.14 N ATOM 1065 CA LEU A 69 6.443 -0.544 -39.133 1.00 55.45 C ATOM 1066 C LEU A 69 7.580 -1.545 -38.965 1.00 63.45 C ATOM 1067 O LEU A 69 7.358 -2.756 -38.962 1.00 2.33 O ATOM 1068 CB LEU A 69 5.288 -1.190 -39.902 1.00 2.43 C ATOM 1069 CG LEU A 69 4.207 -0.238 -40.413 1.00 54.45 C ATOM 1070 CD1 LEU A 69 4.552 0.263 -41.807 1.00 43.32 C ATOM 1071 CD2 LEU A 69 2.848 -0.924 -40.413 1.00 44.11 C ATOM 0 H LEU A 69 7.373 0.475 -40.712 1.00 42.14 H new ATOM 0 HA LEU A 69 6.094 -0.251 -38.143 1.00 55.45 H new ATOM 0 HB2 LEU A 69 5.702 -1.729 -40.754 1.00 2.43 H new ATOM 0 HB3 LEU A 69 4.816 -1.930 -39.255 1.00 2.43 H new ATOM 0 HG LEU A 69 4.159 0.620 -39.742 1.00 54.45 H new ATOM 0 HD11 LEU A 69 3.771 0.939 -42.154 1.00 43.32 H new ATOM 0 HD12 LEU A 69 5.504 0.793 -41.778 1.00 43.32 H new ATOM 0 HD13 LEU A 69 4.628 -0.584 -42.489 1.00 43.32 H new ATOM 0 HD21 LEU A 69 2.091 -0.231 -40.780 1.00 44.11 H new ATOM 0 HD22 LEU A 69 2.883 -1.800 -41.061 1.00 44.11 H new ATOM 0 HD23 LEU A 69 2.596 -1.233 -39.398 1.00 44.11 H new ATOM 1083 N GLU A 70 8.798 -1.032 -38.825 1.00 4.23 N ATOM 1084 CA GLU A 70 9.970 -1.883 -38.655 1.00 4.53 C ATOM 1085 C GLU A 70 10.064 -2.399 -37.222 1.00 24.21 C ATOM 1086 O GLU A 70 10.031 -3.606 -36.984 1.00 13.13 O ATOM 1087 CB GLU A 70 11.243 -1.113 -39.016 1.00 21.54 C ATOM 1088 CG GLU A 70 12.312 -1.976 -39.666 1.00 14.00 C ATOM 1089 CD GLU A 70 13.060 -2.833 -38.663 1.00 74.03 C ATOM 1090 OE1 GLU A 70 12.524 -3.891 -38.272 1.00 13.15 O ATOM 1091 OE2 GLU A 70 14.180 -2.446 -38.270 1.00 70.34 O ATOM 0 H GLU A 70 8.999 -0.032 -38.826 1.00 4.23 H new ATOM 0 HA GLU A 70 9.868 -2.737 -39.325 1.00 4.53 H new ATOM 0 HB2 GLU A 70 10.985 -0.298 -39.692 1.00 21.54 H new ATOM 0 HB3 GLU A 70 11.653 -0.661 -38.113 1.00 21.54 H new ATOM 0 HG2 GLU A 70 11.849 -2.619 -40.414 1.00 14.00 H new ATOM 0 HG3 GLU A 70 13.021 -1.336 -40.191 1.00 14.00 H new TER 1098 GLU A 70