USER MOD reduce.3.24.130724 H: found=0, std=0, add=814, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 816 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: B 47 TYR OH : rot 15:sc= -1.59! USER MOD Set 1.2: B 54 GLN : amide:sc= 0 K(o=-1.6,f=-3.5!) USER MOD Set 2.1: B 31 SER OG : rot 43:sc= 1.28 USER MOD Set 2.2: B 34 THR OG1 : rot 29:sc= 1.44 USER MOD Set 3.1: B 16 SER OG : rot -2:sc= 0.996 USER MOD Set 3.2: B 19 THR OG1 : rot -140:sc= 0.865 USER MOD Set 4.1: A 31 SER OG : rot -10:sc= 0.548 USER MOD Set 4.2: A 34 THR OG1 : rot 180:sc= 0.627 USER MOD Set 5.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 5.2: A 25 ASN : amide:sc= 1.21 K(o=1.2,f=0.44) USER MOD Set 6.1: A 16 SER OG : rot 180:sc= 1.34 USER MOD Set 6.2: A 19 THR OG1 : rot 60:sc= 1.27 USER MOD Single : A 5 THR OG1 : rot -90:sc= 0.198 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 1.11 K(o=1.1,f=-0.0098) USER MOD Single : A 26 GLN : amide:sc= 0.778 K(o=0.78,f=-11!) USER MOD Single : A 28 SER OG : rot 180:sc= 0.00242 USER MOD Single : A 29 HIS : no HD1:sc= -2.59! K(o=-2.6!,f=-1.1) USER MOD Single : A 33 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0162) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 MET CE :methyl 139:sc= -1.97 (180deg=-4.12!) USER MOD Single : A 46 ASN : amide:sc= -0.106 K(o=-0.11,f=-0.82) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 GLN : amide:sc= 0.897 K(o=0.9,f=-5.5!) USER MOD Single : B 5 THR OG1 : rot -72:sc= -0.106! USER MOD Single : B 7 TYR OH : rot -80:sc= 1.08 USER MOD Single : B 12 TYR OH : rot 180:sc= 0 USER MOD Single : B 17 TYR OH : rot 180:sc= 0 USER MOD Single : B 18 GLN : amide:sc= -2.14! K(o=-2.1!,f=-0.34) USER MOD Single : B 21 SER OG : rot 141:sc= -0.414 USER MOD Single : B 25 ASN : amide:sc= 1.1 K(o=1.1,f=-0.00071) USER MOD Single : B 29 HIS : no HD1:sc= -0.691 K(o=-0.69,f=-0.16) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 42 MET CE :methyl -140:sc= 0 (180deg=-1.5!) USER MOD Single : B 46 ASN : amide:sc= -0.196 X(o=-0.2,f=-0.55) USER MOD Single : B 50 ASN : amide:sc= -0.248 K(o=-0.25,f=-0.87) USER MOD Single : B 55 GLN : amide:sc= -1.2 K(o=-1.2,f=-0.27) USER MOD ----------------------------------------------------------------- ATOM 42 N PRO A 3 4.819 -10.189 12.325 1.00 0.87 N ATOM 43 CA PRO A 3 5.402 -9.817 11.034 1.00 0.67 C ATOM 44 C PRO A 3 6.281 -8.569 11.130 1.00 0.57 C ATOM 45 O PRO A 3 5.793 -7.457 11.354 1.00 0.62 O ATOM 46 CB PRO A 3 4.187 -9.552 10.142 1.00 0.89 C ATOM 47 CG PRO A 3 3.061 -9.291 11.082 1.00 1.30 C ATOM 48 CD PRO A 3 3.348 -10.099 12.315 1.00 1.15 C ATOM 0 HA PRO A 3 6.058 -10.598 10.650 1.00 0.67 H new ATOM 0 HB2 PRO A 3 4.359 -8.698 9.487 1.00 0.89 H new ATOM 0 HB3 PRO A 3 3.975 -10.408 9.501 1.00 0.89 H new ATOM 0 HG2 PRO A 3 2.991 -8.230 11.320 1.00 1.30 H new ATOM 0 HG3 PRO A 3 2.109 -9.582 10.639 1.00 1.30 H new ATOM 0 HD2 PRO A 3 2.968 -9.612 13.213 1.00 1.15 H new ATOM 0 HD3 PRO A 3 2.885 -11.085 12.267 1.00 1.15 H new ATOM 56 N VAL A 4 7.582 -8.769 10.960 1.00 0.48 N ATOM 57 CA VAL A 4 8.546 -7.683 11.024 1.00 0.41 C ATOM 58 C VAL A 4 8.820 -7.168 9.622 1.00 0.36 C ATOM 59 O VAL A 4 8.986 -7.953 8.686 1.00 0.37 O ATOM 60 CB VAL A 4 9.857 -8.145 11.694 1.00 0.42 C ATOM 61 CG1 VAL A 4 10.878 -7.025 11.747 1.00 0.39 C ATOM 62 CG2 VAL A 4 9.575 -8.669 13.091 1.00 0.54 C ATOM 0 H VAL A 4 7.995 -9.683 10.775 1.00 0.48 H new ATOM 0 HA VAL A 4 8.129 -6.879 11.630 1.00 0.41 H new ATOM 0 HB VAL A 4 10.277 -8.949 11.090 1.00 0.42 H new ATOM 0 HG11 VAL A 4 11.789 -7.385 12.225 1.00 0.39 H new ATOM 0 HG12 VAL A 4 11.107 -6.693 10.734 1.00 0.39 H new ATOM 0 HG13 VAL A 4 10.473 -6.191 12.320 1.00 0.39 H new ATOM 0 HG21 VAL A 4 10.508 -8.992 13.554 1.00 0.54 H new ATOM 0 HG22 VAL A 4 9.126 -7.878 13.692 1.00 0.54 H new ATOM 0 HG23 VAL A 4 8.888 -9.513 13.031 1.00 0.54 H new ATOM 72 N THR A 5 8.867 -5.855 9.482 1.00 0.33 N ATOM 73 CA THR A 5 9.078 -5.231 8.191 1.00 0.31 C ATOM 74 C THR A 5 10.519 -4.769 8.028 1.00 0.26 C ATOM 75 O THR A 5 11.295 -4.769 8.988 1.00 0.26 O ATOM 76 CB THR A 5 8.117 -4.034 8.005 1.00 0.36 C ATOM 77 OG1 THR A 5 8.773 -2.804 8.325 1.00 0.37 O ATOM 78 CG2 THR A 5 6.891 -4.189 8.896 1.00 0.41 C ATOM 0 H THR A 5 8.761 -5.197 10.254 1.00 0.33 H new ATOM 0 HA THR A 5 8.871 -5.978 7.425 1.00 0.31 H new ATOM 0 HB THR A 5 7.807 -4.016 6.960 1.00 0.36 H new ATOM 0 HG1 THR A 5 8.648 -2.605 9.276 1.00 0.37 H new ATOM 0 HG21 THR A 5 6.226 -3.337 8.752 1.00 0.41 H new ATOM 0 HG22 THR A 5 6.366 -5.108 8.635 1.00 0.41 H new ATOM 0 HG23 THR A 5 7.203 -4.233 9.940 1.00 0.41 H new ATOM 86 N LEU A 6 10.875 -4.366 6.811 1.00 0.24 N ATOM 87 CA LEU A 6 12.224 -3.892 6.527 1.00 0.20 C ATOM 88 C LEU A 6 12.496 -2.579 7.258 1.00 0.21 C ATOM 89 O LEU A 6 13.645 -2.174 7.422 1.00 0.20 O ATOM 90 CB LEU A 6 12.447 -3.737 5.017 1.00 0.21 C ATOM 91 CG LEU A 6 11.927 -2.444 4.374 1.00 0.25 C ATOM 92 CD1 LEU A 6 12.343 -2.386 2.915 1.00 0.29 C ATOM 93 CD2 LEU A 6 10.416 -2.332 4.487 1.00 0.29 C ATOM 0 H LEU A 6 10.247 -4.359 6.007 1.00 0.24 H new ATOM 0 HA LEU A 6 12.930 -4.638 6.892 1.00 0.20 H new ATOM 0 HB2 LEU A 6 13.517 -3.808 4.822 1.00 0.21 H new ATOM 0 HB3 LEU A 6 11.975 -4.581 4.515 1.00 0.21 H new ATOM 0 HG LEU A 6 12.366 -1.604 4.912 1.00 0.25 H new ATOM 0 HD11 LEU A 6 11.970 -1.465 2.467 1.00 0.29 H new ATOM 0 HD12 LEU A 6 13.431 -2.409 2.846 1.00 0.29 H new ATOM 0 HD13 LEU A 6 11.928 -3.242 2.384 1.00 0.29 H new ATOM 0 HD21 LEU A 6 10.084 -1.404 4.021 1.00 0.29 H new ATOM 0 HD22 LEU A 6 9.950 -3.178 3.983 1.00 0.29 H new ATOM 0 HD23 LEU A 6 10.129 -2.333 5.538 1.00 0.29 H new ATOM 105 N TYR A 7 11.424 -1.934 7.711 1.00 0.25 N ATOM 106 CA TYR A 7 11.540 -0.685 8.444 1.00 0.28 C ATOM 107 C TYR A 7 12.037 -0.964 9.849 1.00 0.28 C ATOM 108 O TYR A 7 12.870 -0.237 10.382 1.00 0.30 O ATOM 109 CB TYR A 7 10.193 0.038 8.534 1.00 0.34 C ATOM 110 CG TYR A 7 9.659 0.569 7.224 1.00 0.36 C ATOM 111 CD1 TYR A 7 10.192 1.708 6.644 1.00 0.38 C ATOM 112 CD2 TYR A 7 8.595 -0.056 6.589 1.00 0.41 C ATOM 113 CE1 TYR A 7 9.683 2.209 5.462 1.00 0.43 C ATOM 114 CE2 TYR A 7 8.076 0.440 5.410 1.00 0.44 C ATOM 115 CZ TYR A 7 8.625 1.575 4.849 1.00 0.44 C ATOM 116 OH TYR A 7 8.105 2.082 3.679 1.00 0.49 O ATOM 0 H TYR A 7 10.466 -2.259 7.581 1.00 0.25 H new ATOM 0 HA TYR A 7 12.244 -0.048 7.908 1.00 0.28 H new ATOM 0 HB2 TYR A 7 9.458 -0.648 8.956 1.00 0.34 H new ATOM 0 HB3 TYR A 7 10.291 0.870 9.232 1.00 0.34 H new ATOM 0 HD1 TYR A 7 11.018 2.212 7.123 1.00 0.38 H new ATOM 0 HD2 TYR A 7 8.166 -0.946 7.025 1.00 0.41 H new ATOM 0 HE1 TYR A 7 10.113 3.095 5.020 1.00 0.43 H new ATOM 0 HE2 TYR A 7 7.246 -0.057 4.930 1.00 0.44 H new ATOM 0 HH TYR A 7 7.364 1.516 3.378 1.00 0.49 H new ATOM 126 N ASP A 8 11.529 -2.048 10.429 1.00 0.28 N ATOM 127 CA ASP A 8 11.905 -2.440 11.785 1.00 0.29 C ATOM 128 C ASP A 8 13.369 -2.862 11.824 1.00 0.24 C ATOM 129 O ASP A 8 14.089 -2.568 12.780 1.00 0.25 O ATOM 130 CB ASP A 8 11.016 -3.584 12.274 1.00 0.35 C ATOM 131 CG ASP A 8 10.862 -3.598 13.782 1.00 0.93 C ATOM 132 OD1 ASP A 8 10.045 -2.808 14.304 1.00 1.51 O ATOM 133 OD2 ASP A 8 11.536 -4.406 14.450 1.00 1.75 O ATOM 0 H ASP A 8 10.856 -2.671 9.982 1.00 0.28 H new ATOM 0 HA ASP A 8 11.767 -1.583 12.445 1.00 0.29 H new ATOM 0 HB2 ASP A 8 10.032 -3.498 11.813 1.00 0.35 H new ATOM 0 HB3 ASP A 8 11.439 -4.534 11.947 1.00 0.35 H new ATOM 138 N VAL A 9 13.802 -3.546 10.767 1.00 0.21 N ATOM 139 CA VAL A 9 15.181 -4.002 10.651 1.00 0.19 C ATOM 140 C VAL A 9 16.105 -2.806 10.480 1.00 0.18 C ATOM 141 O VAL A 9 17.191 -2.751 11.058 1.00 0.20 O ATOM 142 CB VAL A 9 15.352 -4.949 9.452 1.00 0.19 C ATOM 143 CG1 VAL A 9 16.761 -5.519 9.395 1.00 0.20 C ATOM 144 CG2 VAL A 9 14.322 -6.054 9.515 1.00 0.22 C ATOM 0 H VAL A 9 13.211 -3.797 9.974 1.00 0.21 H new ATOM 0 HA VAL A 9 15.436 -4.544 11.562 1.00 0.19 H new ATOM 0 HB VAL A 9 15.196 -4.378 8.537 1.00 0.19 H new ATOM 0 HG11 VAL A 9 16.850 -6.185 8.536 1.00 0.20 H new ATOM 0 HG12 VAL A 9 17.479 -4.705 9.299 1.00 0.20 H new ATOM 0 HG13 VAL A 9 16.965 -6.077 10.309 1.00 0.20 H new ATOM 0 HG21 VAL A 9 14.450 -6.720 8.662 1.00 0.22 H new ATOM 0 HG22 VAL A 9 14.450 -6.618 10.439 1.00 0.22 H new ATOM 0 HG23 VAL A 9 13.322 -5.621 9.490 1.00 0.22 H new ATOM 154 N ALA A 10 15.651 -1.852 9.674 1.00 0.19 N ATOM 155 CA ALA A 10 16.403 -0.634 9.419 1.00 0.22 C ATOM 156 C ALA A 10 16.653 0.121 10.718 1.00 0.26 C ATOM 157 O ALA A 10 17.734 0.662 10.936 1.00 0.30 O ATOM 158 CB ALA A 10 15.662 0.249 8.421 1.00 0.26 C ATOM 0 H ALA A 10 14.758 -1.902 9.184 1.00 0.19 H new ATOM 0 HA ALA A 10 17.367 -0.906 8.990 1.00 0.22 H new ATOM 0 HB1 ALA A 10 16.238 1.157 8.241 1.00 0.26 H new ATOM 0 HB2 ALA A 10 15.533 -0.291 7.483 1.00 0.26 H new ATOM 0 HB3 ALA A 10 14.685 0.514 8.825 1.00 0.26 H new ATOM 164 N GLU A 11 15.648 0.124 11.589 1.00 0.29 N ATOM 165 CA GLU A 11 15.741 0.802 12.879 1.00 0.35 C ATOM 166 C GLU A 11 16.656 0.040 13.836 1.00 0.37 C ATOM 167 O GLU A 11 17.283 0.632 14.716 1.00 0.46 O ATOM 168 CB GLU A 11 14.351 0.946 13.506 1.00 0.37 C ATOM 169 CG GLU A 11 13.418 1.862 12.734 1.00 0.94 C ATOM 170 CD GLU A 11 11.995 1.815 13.257 1.00 1.51 C ATOM 171 OE1 GLU A 11 11.664 2.606 14.170 1.00 2.14 O ATOM 172 OE2 GLU A 11 11.201 0.994 12.758 1.00 2.21 O ATOM 0 H GLU A 11 14.754 -0.339 11.423 1.00 0.29 H new ATOM 0 HA GLU A 11 16.165 1.791 12.706 1.00 0.35 H new ATOM 0 HB2 GLU A 11 13.894 -0.041 13.582 1.00 0.37 H new ATOM 0 HB3 GLU A 11 14.459 1.327 14.522 1.00 0.37 H new ATOM 0 HG2 GLU A 11 13.789 2.885 12.791 1.00 0.94 H new ATOM 0 HG3 GLU A 11 13.425 1.579 11.681 1.00 0.94 H new ATOM 179 N TYR A 12 16.724 -1.277 13.660 1.00 0.32 N ATOM 180 CA TYR A 12 17.562 -2.122 14.506 1.00 0.38 C ATOM 181 C TYR A 12 19.029 -1.995 14.110 1.00 0.38 C ATOM 182 O TYR A 12 19.914 -1.942 14.966 1.00 0.45 O ATOM 183 CB TYR A 12 17.119 -3.589 14.402 1.00 0.39 C ATOM 184 CG TYR A 12 17.540 -4.448 15.577 1.00 0.47 C ATOM 185 CD1 TYR A 12 18.875 -4.762 15.795 1.00 1.10 C ATOM 186 CD2 TYR A 12 16.599 -4.934 16.473 1.00 1.38 C ATOM 187 CE1 TYR A 12 19.261 -5.531 16.873 1.00 1.07 C ATOM 188 CE2 TYR A 12 16.974 -5.709 17.556 1.00 1.49 C ATOM 189 CZ TYR A 12 18.309 -6.002 17.753 1.00 0.69 C ATOM 190 OH TYR A 12 18.695 -6.765 18.834 1.00 0.82 O ATOM 0 H TYR A 12 16.209 -1.782 12.939 1.00 0.32 H new ATOM 0 HA TYR A 12 17.449 -1.789 15.538 1.00 0.38 H new ATOM 0 HB2 TYR A 12 16.033 -3.624 14.311 1.00 0.39 H new ATOM 0 HB3 TYR A 12 17.529 -4.017 13.487 1.00 0.39 H new ATOM 0 HD1 TYR A 12 19.625 -4.398 15.108 1.00 1.10 H new ATOM 0 HD2 TYR A 12 15.555 -4.703 16.322 1.00 1.38 H new ATOM 0 HE1 TYR A 12 20.304 -5.763 17.027 1.00 1.07 H new ATOM 0 HE2 TYR A 12 16.228 -6.082 18.242 1.00 1.49 H new ATOM 0 HH TYR A 12 17.905 -7.016 19.356 1.00 0.82 H new ATOM 200 N ALA A 13 19.284 -1.917 12.810 1.00 0.33 N ATOM 201 CA ALA A 13 20.645 -1.821 12.309 1.00 0.36 C ATOM 202 C ALA A 13 21.128 -0.378 12.280 1.00 0.39 C ATOM 203 O ALA A 13 22.331 -0.113 12.254 1.00 0.46 O ATOM 204 CB ALA A 13 20.738 -2.441 10.925 1.00 0.33 C ATOM 0 H ALA A 13 18.566 -1.918 12.086 1.00 0.33 H new ATOM 0 HA ALA A 13 21.294 -2.372 12.990 1.00 0.36 H new ATOM 0 HB1 ALA A 13 21.762 -2.363 10.560 1.00 0.33 H new ATOM 0 HB2 ALA A 13 20.450 -3.491 10.977 1.00 0.33 H new ATOM 0 HB3 ALA A 13 20.069 -1.914 10.245 1.00 0.33 H new ATOM 210 N GLY A 14 20.185 0.550 12.314 1.00 0.38 N ATOM 211 CA GLY A 14 20.524 1.955 12.259 1.00 0.43 C ATOM 212 C GLY A 14 20.792 2.384 10.835 1.00 0.43 C ATOM 213 O GLY A 14 21.731 3.129 10.558 1.00 0.52 O ATOM 0 H GLY A 14 19.186 0.353 12.379 1.00 0.38 H new ATOM 0 HA2 GLY A 14 19.709 2.547 12.675 1.00 0.43 H new ATOM 0 HA3 GLY A 14 21.404 2.146 12.873 1.00 0.43 H new ATOM 217 N VAL A 15 19.959 1.892 9.930 1.00 0.35 N ATOM 218 CA VAL A 15 20.081 2.183 8.513 1.00 0.35 C ATOM 219 C VAL A 15 18.729 2.580 7.945 1.00 0.34 C ATOM 220 O VAL A 15 17.785 2.846 8.692 1.00 0.36 O ATOM 221 CB VAL A 15 20.596 0.953 7.730 1.00 0.33 C ATOM 222 CG1 VAL A 15 22.016 0.615 8.126 1.00 0.36 C ATOM 223 CG2 VAL A 15 19.688 -0.248 7.953 1.00 0.28 C ATOM 0 H VAL A 15 19.178 1.278 10.160 1.00 0.35 H new ATOM 0 HA VAL A 15 20.794 3.000 8.406 1.00 0.35 H new ATOM 0 HB VAL A 15 20.585 1.205 6.670 1.00 0.33 H new ATOM 0 HG11 VAL A 15 22.354 -0.254 7.561 1.00 0.36 H new ATOM 0 HG12 VAL A 15 22.666 1.463 7.911 1.00 0.36 H new ATOM 0 HG13 VAL A 15 22.053 0.391 9.192 1.00 0.36 H new ATOM 0 HG21 VAL A 15 20.070 -1.102 7.393 1.00 0.28 H new ATOM 0 HG22 VAL A 15 19.663 -0.493 9.015 1.00 0.28 H new ATOM 0 HG23 VAL A 15 18.680 -0.011 7.611 1.00 0.28 H new ATOM 233 N SER A 16 18.639 2.612 6.628 1.00 0.35 N ATOM 234 CA SER A 16 17.396 2.943 5.961 1.00 0.35 C ATOM 235 C SER A 16 16.728 1.662 5.490 1.00 0.32 C ATOM 236 O SER A 16 17.394 0.631 5.344 1.00 0.32 O ATOM 237 CB SER A 16 17.650 3.876 4.777 1.00 0.40 C ATOM 238 OG SER A 16 18.184 3.170 3.670 1.00 1.26 O ATOM 0 H SER A 16 19.416 2.412 5.998 1.00 0.35 H new ATOM 0 HA SER A 16 16.740 3.460 6.661 1.00 0.35 H new ATOM 0 HB2 SER A 16 16.718 4.360 4.487 1.00 0.40 H new ATOM 0 HB3 SER A 16 18.340 4.665 5.075 1.00 0.40 H new ATOM 0 HG SER A 16 18.335 3.792 2.927 1.00 1.26 H new ATOM 244 N TYR A 17 15.424 1.708 5.260 1.00 0.32 N ATOM 245 CA TYR A 17 14.715 0.525 4.798 1.00 0.30 C ATOM 246 C TYR A 17 15.195 0.155 3.403 1.00 0.31 C ATOM 247 O TYR A 17 15.180 -1.012 3.015 1.00 0.30 O ATOM 248 CB TYR A 17 13.197 0.728 4.835 1.00 0.33 C ATOM 249 CG TYR A 17 12.649 1.743 3.852 1.00 0.37 C ATOM 250 CD1 TYR A 17 12.699 3.104 4.131 1.00 1.27 C ATOM 251 CD2 TYR A 17 12.052 1.342 2.663 1.00 1.14 C ATOM 252 CE1 TYR A 17 12.175 4.032 3.255 1.00 1.32 C ATOM 253 CE2 TYR A 17 11.519 2.266 1.785 1.00 1.16 C ATOM 254 CZ TYR A 17 11.584 3.608 2.086 1.00 0.54 C ATOM 255 OH TYR A 17 11.041 4.529 1.223 1.00 0.65 O ATOM 0 H TYR A 17 14.843 2.538 5.383 1.00 0.32 H new ATOM 0 HA TYR A 17 14.936 -0.301 5.474 1.00 0.30 H new ATOM 0 HB2 TYR A 17 12.715 -0.231 4.646 1.00 0.33 H new ATOM 0 HB3 TYR A 17 12.914 1.034 5.842 1.00 0.33 H new ATOM 0 HD1 TYR A 17 13.156 3.441 5.050 1.00 1.27 H new ATOM 0 HD2 TYR A 17 12.004 0.291 2.421 1.00 1.14 H new ATOM 0 HE1 TYR A 17 12.228 5.086 3.485 1.00 1.32 H new ATOM 0 HE2 TYR A 17 11.054 1.937 0.867 1.00 1.16 H new ATOM 0 HH TYR A 17 10.665 4.066 0.445 1.00 0.65 H new ATOM 265 N GLN A 18 15.649 1.162 2.662 1.00 0.35 N ATOM 266 CA GLN A 18 16.172 0.941 1.326 1.00 0.37 C ATOM 267 C GLN A 18 17.466 0.149 1.429 1.00 0.33 C ATOM 268 O GLN A 18 17.764 -0.693 0.579 1.00 0.34 O ATOM 269 CB GLN A 18 16.413 2.270 0.605 1.00 0.46 C ATOM 270 CG GLN A 18 17.150 2.122 -0.718 1.00 0.77 C ATOM 271 CD GLN A 18 16.348 1.363 -1.761 1.00 0.50 C ATOM 272 OE1 GLN A 18 15.663 1.960 -2.585 1.00 0.66 O ATOM 273 NE2 GLN A 18 16.427 0.044 -1.732 1.00 1.09 N ATOM 0 H GLN A 18 15.663 2.135 2.967 1.00 0.35 H new ATOM 0 HA GLN A 18 15.442 0.379 0.744 1.00 0.37 H new ATOM 0 HB2 GLN A 18 15.454 2.755 0.424 1.00 0.46 H new ATOM 0 HB3 GLN A 18 16.985 2.929 1.258 1.00 0.46 H new ATOM 0 HG2 GLN A 18 17.394 3.111 -1.104 1.00 0.77 H new ATOM 0 HG3 GLN A 18 18.094 1.605 -0.546 1.00 0.77 H new ATOM 0 HE21 GLN A 18 17.008 -0.417 -1.031 1.00 1.09 H new ATOM 0 HE22 GLN A 18 15.907 -0.513 -2.410 1.00 1.09 H new ATOM 282 N THR A 19 18.229 0.424 2.486 1.00 0.33 N ATOM 283 CA THR A 19 19.480 -0.276 2.730 1.00 0.34 C ATOM 284 C THR A 19 19.184 -1.738 3.024 1.00 0.29 C ATOM 285 O THR A 19 19.841 -2.637 2.503 1.00 0.31 O ATOM 286 CB THR A 19 20.253 0.340 3.908 1.00 0.39 C ATOM 287 OG1 THR A 19 20.478 1.728 3.657 1.00 0.49 O ATOM 288 CG2 THR A 19 21.585 -0.360 4.112 1.00 0.45 C ATOM 0 H THR A 19 17.998 1.129 3.186 1.00 0.33 H new ATOM 0 HA THR A 19 20.102 -0.186 1.839 1.00 0.34 H new ATOM 0 HB THR A 19 19.657 0.217 4.812 1.00 0.39 H new ATOM 0 HG1 THR A 19 19.617 2.186 3.559 1.00 0.49 H new ATOM 0 HG21 THR A 19 22.111 0.096 4.951 1.00 0.45 H new ATOM 0 HG22 THR A 19 21.413 -1.416 4.322 1.00 0.45 H new ATOM 0 HG23 THR A 19 22.189 -0.263 3.210 1.00 0.45 H new ATOM 296 N VAL A 20 18.171 -1.960 3.856 1.00 0.25 N ATOM 297 CA VAL A 20 17.740 -3.305 4.208 1.00 0.21 C ATOM 298 C VAL A 20 17.340 -4.073 2.951 1.00 0.20 C ATOM 299 O VAL A 20 17.821 -5.178 2.710 1.00 0.24 O ATOM 300 CB VAL A 20 16.555 -3.258 5.189 1.00 0.21 C ATOM 301 CG1 VAL A 20 16.003 -4.656 5.447 1.00 0.23 C ATOM 302 CG2 VAL A 20 16.979 -2.593 6.486 1.00 0.24 C ATOM 0 H VAL A 20 17.631 -1.218 4.301 1.00 0.25 H new ATOM 0 HA VAL A 20 18.572 -3.816 4.692 1.00 0.21 H new ATOM 0 HB VAL A 20 15.757 -2.667 4.740 1.00 0.21 H new ATOM 0 HG11 VAL A 20 15.167 -4.594 6.143 1.00 0.23 H new ATOM 0 HG12 VAL A 20 15.662 -5.091 4.508 1.00 0.23 H new ATOM 0 HG13 VAL A 20 16.785 -5.283 5.874 1.00 0.23 H new ATOM 0 HG21 VAL A 20 16.134 -2.565 7.174 1.00 0.24 H new ATOM 0 HG22 VAL A 20 17.794 -3.160 6.936 1.00 0.24 H new ATOM 0 HG23 VAL A 20 17.314 -1.576 6.281 1.00 0.24 H new ATOM 312 N SER A 21 16.482 -3.460 2.141 1.00 0.22 N ATOM 313 CA SER A 21 16.016 -4.071 0.900 1.00 0.25 C ATOM 314 C SER A 21 17.177 -4.296 -0.062 1.00 0.27 C ATOM 315 O SER A 21 17.180 -5.257 -0.832 1.00 0.32 O ATOM 316 CB SER A 21 14.946 -3.184 0.250 1.00 0.32 C ATOM 317 OG SER A 21 14.409 -3.782 -0.919 1.00 0.87 O ATOM 0 H SER A 21 16.093 -2.535 2.323 1.00 0.22 H new ATOM 0 HA SER A 21 15.578 -5.041 1.134 1.00 0.25 H new ATOM 0 HB2 SER A 21 14.144 -2.998 0.965 1.00 0.32 H new ATOM 0 HB3 SER A 21 15.379 -2.216 -0.002 1.00 0.32 H new ATOM 0 HG SER A 21 13.730 -3.191 -1.306 1.00 0.87 H new ATOM 323 N ARG A 22 18.165 -3.413 0.005 1.00 0.30 N ATOM 324 CA ARG A 22 19.346 -3.504 -0.844 1.00 0.40 C ATOM 325 C ARG A 22 20.125 -4.782 -0.523 1.00 0.39 C ATOM 326 O ARG A 22 20.670 -5.438 -1.414 1.00 0.58 O ATOM 327 CB ARG A 22 20.234 -2.271 -0.633 1.00 0.51 C ATOM 328 CG ARG A 22 20.974 -1.821 -1.880 1.00 0.82 C ATOM 329 CD ARG A 22 20.046 -1.148 -2.880 1.00 0.75 C ATOM 330 NE ARG A 22 19.880 0.284 -2.616 1.00 0.73 N ATOM 331 CZ ARG A 22 19.318 1.133 -3.481 1.00 1.18 C ATOM 332 NH1 ARG A 22 18.838 0.690 -4.632 1.00 2.03 N ATOM 333 NH2 ARG A 22 19.226 2.427 -3.194 1.00 1.28 N ATOM 0 H ARG A 22 18.171 -2.619 0.645 1.00 0.30 H new ATOM 0 HA ARG A 22 19.035 -3.539 -1.888 1.00 0.40 H new ATOM 0 HB2 ARG A 22 19.616 -1.448 -0.273 1.00 0.51 H new ATOM 0 HB3 ARG A 22 20.961 -2.489 0.149 1.00 0.51 H new ATOM 0 HG2 ARG A 22 21.769 -1.130 -1.600 1.00 0.82 H new ATOM 0 HG3 ARG A 22 21.451 -2.682 -2.349 1.00 0.82 H new ATOM 0 HD2 ARG A 22 20.441 -1.285 -3.887 1.00 0.75 H new ATOM 0 HD3 ARG A 22 19.071 -1.635 -2.851 1.00 0.75 H new ATOM 0 HE ARG A 22 20.211 0.652 -1.724 1.00 0.73 H new ATOM 0 HH11 ARG A 22 18.896 -0.302 -4.861 1.00 2.03 H new ATOM 0 HH12 ARG A 22 18.410 1.341 -5.290 1.00 2.03 H new ATOM 0 HH21 ARG A 22 19.586 2.780 -2.307 1.00 1.28 H new ATOM 0 HH22 ARG A 22 18.795 3.068 -3.861 1.00 1.28 H new ATOM 347 N VAL A 23 20.138 -5.141 0.757 1.00 0.29 N ATOM 348 CA VAL A 23 20.844 -6.330 1.227 1.00 0.33 C ATOM 349 C VAL A 23 20.025 -7.592 0.978 1.00 0.34 C ATOM 350 O VAL A 23 20.543 -8.601 0.493 1.00 0.43 O ATOM 351 CB VAL A 23 21.164 -6.240 2.738 1.00 0.34 C ATOM 352 CG1 VAL A 23 21.942 -7.460 3.200 1.00 0.44 C ATOM 353 CG2 VAL A 23 21.928 -4.966 3.057 1.00 0.33 C ATOM 0 H VAL A 23 19.663 -4.620 1.494 1.00 0.29 H new ATOM 0 HA VAL A 23 21.776 -6.381 0.664 1.00 0.33 H new ATOM 0 HB VAL A 23 20.218 -6.213 3.279 1.00 0.34 H new ATOM 0 HG11 VAL A 23 22.155 -7.374 4.265 1.00 0.44 H new ATOM 0 HG12 VAL A 23 21.351 -8.358 3.020 1.00 0.44 H new ATOM 0 HG13 VAL A 23 22.879 -7.525 2.647 1.00 0.44 H new ATOM 0 HG21 VAL A 23 22.141 -4.927 4.125 1.00 0.33 H new ATOM 0 HG22 VAL A 23 22.865 -4.954 2.500 1.00 0.33 H new ATOM 0 HG23 VAL A 23 21.327 -4.101 2.775 1.00 0.33 H new ATOM 363 N VAL A 24 18.745 -7.529 1.325 1.00 0.29 N ATOM 364 CA VAL A 24 17.841 -8.664 1.152 1.00 0.32 C ATOM 365 C VAL A 24 17.759 -9.106 -0.312 1.00 0.34 C ATOM 366 O VAL A 24 17.754 -10.299 -0.611 1.00 0.41 O ATOM 367 CB VAL A 24 16.423 -8.339 1.670 1.00 0.32 C ATOM 368 CG1 VAL A 24 15.504 -9.539 1.515 1.00 0.39 C ATOM 369 CG2 VAL A 24 16.475 -7.892 3.123 1.00 0.35 C ATOM 0 H VAL A 24 18.307 -6.702 1.729 1.00 0.29 H new ATOM 0 HA VAL A 24 18.255 -9.483 1.741 1.00 0.32 H new ATOM 0 HB VAL A 24 16.021 -7.522 1.071 1.00 0.32 H new ATOM 0 HG11 VAL A 24 14.511 -9.287 1.886 1.00 0.39 H new ATOM 0 HG12 VAL A 24 15.439 -9.814 0.462 1.00 0.39 H new ATOM 0 HG13 VAL A 24 15.902 -10.378 2.085 1.00 0.39 H new ATOM 0 HG21 VAL A 24 15.467 -7.667 3.471 1.00 0.35 H new ATOM 0 HG22 VAL A 24 16.900 -8.688 3.734 1.00 0.35 H new ATOM 0 HG23 VAL A 24 17.095 -7.000 3.207 1.00 0.35 H new ATOM 379 N ASN A 25 17.705 -8.140 -1.219 1.00 0.33 N ATOM 380 CA ASN A 25 17.617 -8.439 -2.648 1.00 0.42 C ATOM 381 C ASN A 25 18.966 -8.824 -3.243 1.00 0.76 C ATOM 382 O ASN A 25 19.018 -9.448 -4.304 1.00 0.94 O ATOM 383 CB ASN A 25 17.044 -7.247 -3.418 1.00 0.83 C ATOM 384 CG ASN A 25 15.546 -7.134 -3.257 1.00 1.11 C ATOM 385 OD1 ASN A 25 14.780 -7.746 -4.000 1.00 1.72 O ATOM 386 ND2 ASN A 25 15.121 -6.347 -2.288 1.00 1.15 N ATOM 0 H ASN A 25 17.720 -7.145 -0.995 1.00 0.33 H new ATOM 0 HA ASN A 25 16.949 -9.294 -2.746 1.00 0.42 H new ATOM 0 HB2 ASN A 25 17.516 -6.329 -3.068 1.00 0.83 H new ATOM 0 HB3 ASN A 25 17.288 -7.348 -4.476 1.00 0.83 H new ATOM 0 HD21 ASN A 25 14.120 -6.227 -2.131 1.00 1.15 H new ATOM 0 HD22 ASN A 25 15.793 -5.859 -1.696 1.00 1.15 H new ATOM 393 N GLN A 26 20.049 -8.442 -2.557 1.00 1.08 N ATOM 394 CA GLN A 26 21.412 -8.730 -3.014 1.00 1.58 C ATOM 395 C GLN A 26 21.670 -8.062 -4.360 1.00 1.10 C ATOM 396 O GLN A 26 22.261 -8.654 -5.267 1.00 1.64 O ATOM 397 CB GLN A 26 21.648 -10.241 -3.124 1.00 2.64 C ATOM 398 CG GLN A 26 21.545 -10.984 -1.802 1.00 3.42 C ATOM 399 CD GLN A 26 22.777 -10.819 -0.936 1.00 4.28 C ATOM 400 OE1 GLN A 26 23.416 -9.770 -0.934 1.00 4.88 O ATOM 401 NE2 GLN A 26 23.124 -11.863 -0.198 1.00 4.73 N ATOM 0 H GLN A 26 20.006 -7.929 -1.677 1.00 1.08 H new ATOM 0 HA GLN A 26 22.107 -8.328 -2.277 1.00 1.58 H new ATOM 0 HB2 GLN A 26 20.924 -10.661 -3.822 1.00 2.64 H new ATOM 0 HB3 GLN A 26 22.637 -10.413 -3.549 1.00 2.64 H new ATOM 0 HG2 GLN A 26 20.673 -10.625 -1.256 1.00 3.42 H new ATOM 0 HG3 GLN A 26 21.384 -12.044 -1.998 1.00 3.42 H new ATOM 0 HE21 GLN A 26 22.566 -12.717 -0.228 1.00 4.73 H new ATOM 0 HE22 GLN A 26 23.949 -11.813 0.400 1.00 4.73 H new ATOM 410 N ALA A 27 21.225 -6.822 -4.482 1.00 0.83 N ATOM 411 CA ALA A 27 21.379 -6.070 -5.719 1.00 1.50 C ATOM 412 C ALA A 27 22.640 -5.214 -5.699 1.00 1.34 C ATOM 413 O ALA A 27 23.672 -5.623 -5.159 1.00 2.01 O ATOM 414 CB ALA A 27 20.145 -5.213 -5.957 1.00 2.27 C ATOM 0 H ALA A 27 20.752 -6.312 -3.736 1.00 0.83 H new ATOM 0 HA ALA A 27 21.483 -6.778 -6.541 1.00 1.50 H new ATOM 0 HB1 ALA A 27 20.265 -4.652 -6.884 1.00 2.27 H new ATOM 0 HB2 ALA A 27 19.266 -5.853 -6.031 1.00 2.27 H new ATOM 0 HB3 ALA A 27 20.019 -4.519 -5.126 1.00 2.27 H new ATOM 420 N SER A 28 22.562 -4.037 -6.300 1.00 1.04 N ATOM 421 CA SER A 28 23.687 -3.122 -6.352 1.00 0.84 C ATOM 422 C SER A 28 23.595 -2.105 -5.213 1.00 0.71 C ATOM 423 O SER A 28 22.595 -2.057 -4.501 1.00 0.73 O ATOM 424 CB SER A 28 23.697 -2.409 -7.701 1.00 0.91 C ATOM 425 OG SER A 28 22.907 -3.108 -8.648 1.00 1.52 O ATOM 0 H SER A 28 21.721 -3.692 -6.763 1.00 1.04 H new ATOM 0 HA SER A 28 24.614 -3.683 -6.236 1.00 0.84 H new ATOM 0 HB2 SER A 28 23.318 -1.394 -7.583 1.00 0.91 H new ATOM 0 HB3 SER A 28 24.721 -2.326 -8.066 1.00 0.91 H new ATOM 0 HG SER A 28 22.926 -2.633 -9.505 1.00 1.52 H new ATOM 431 N HIS A 29 24.634 -1.281 -5.075 1.00 0.61 N ATOM 432 CA HIS A 29 24.716 -0.256 -4.037 1.00 0.53 C ATOM 433 C HIS A 29 24.681 -0.865 -2.636 1.00 0.59 C ATOM 434 O HIS A 29 24.099 -0.285 -1.718 1.00 0.76 O ATOM 435 CB HIS A 29 23.611 0.807 -4.112 1.00 0.50 C ATOM 436 CG HIS A 29 23.026 1.131 -5.460 1.00 0.50 C ATOM 437 ND1 HIS A 29 21.860 1.852 -5.586 1.00 0.46 N ATOM 438 CD2 HIS A 29 23.441 0.877 -6.725 1.00 0.64 C ATOM 439 CE1 HIS A 29 21.585 2.030 -6.859 1.00 0.53 C ATOM 440 NE2 HIS A 29 22.527 1.448 -7.577 1.00 0.63 N ATOM 0 H HIS A 29 25.450 -1.307 -5.687 1.00 0.61 H new ATOM 0 HA HIS A 29 25.672 0.232 -4.226 1.00 0.53 H new ATOM 0 HB2 HIS A 29 22.796 0.486 -3.464 1.00 0.50 H new ATOM 0 HB3 HIS A 29 24.008 1.731 -3.691 1.00 0.50 H new ATOM 0 HD2 HIS A 29 24.326 0.328 -7.010 1.00 0.64 H new ATOM 0 HE1 HIS A 29 20.732 2.563 -7.251 1.00 0.53 H new ATOM 0 HE2 HIS A 29 22.569 1.426 -8.596 1.00 0.63 H new ATOM 449 N VAL A 30 25.298 -2.023 -2.460 1.00 0.66 N ATOM 450 CA VAL A 30 25.311 -2.662 -1.154 1.00 0.76 C ATOM 451 C VAL A 30 26.729 -2.810 -0.637 1.00 0.72 C ATOM 452 O VAL A 30 27.522 -3.583 -1.175 1.00 0.78 O ATOM 453 CB VAL A 30 24.648 -4.050 -1.157 1.00 0.94 C ATOM 454 CG1 VAL A 30 24.028 -4.330 0.201 1.00 1.01 C ATOM 455 CG2 VAL A 30 23.603 -4.161 -2.249 1.00 1.16 C ATOM 0 H VAL A 30 25.790 -2.533 -3.194 1.00 0.66 H new ATOM 0 HA VAL A 30 24.733 -2.008 -0.501 1.00 0.76 H new ATOM 0 HB VAL A 30 25.418 -4.795 -1.360 1.00 0.94 H new ATOM 0 HG11 VAL A 30 23.560 -5.315 0.191 1.00 1.01 H new ATOM 0 HG12 VAL A 30 24.803 -4.304 0.967 1.00 1.01 H new ATOM 0 HG13 VAL A 30 23.275 -3.573 0.420 1.00 1.01 H new ATOM 0 HG21 VAL A 30 23.154 -5.154 -2.223 1.00 1.16 H new ATOM 0 HG22 VAL A 30 22.830 -3.409 -2.091 1.00 1.16 H new ATOM 0 HG23 VAL A 30 24.072 -4.000 -3.220 1.00 1.16 H new ATOM 465 N SER A 31 27.045 -2.057 0.399 1.00 0.71 N ATOM 466 CA SER A 31 28.364 -2.122 1.003 1.00 0.76 C ATOM 467 C SER A 31 28.442 -3.296 1.973 1.00 0.83 C ATOM 468 O SER A 31 27.414 -3.784 2.447 1.00 1.30 O ATOM 469 CB SER A 31 28.683 -0.820 1.734 1.00 0.75 C ATOM 470 OG SER A 31 27.759 -0.586 2.782 1.00 0.74 O ATOM 0 H SER A 31 26.408 -1.394 0.840 1.00 0.71 H new ATOM 0 HA SER A 31 29.099 -2.267 0.211 1.00 0.76 H new ATOM 0 HB2 SER A 31 29.694 -0.865 2.139 1.00 0.75 H new ATOM 0 HB3 SER A 31 28.658 0.012 1.030 1.00 0.75 H new ATOM 0 HG SER A 31 27.019 -1.224 2.714 1.00 0.74 H new ATOM 476 N ALA A 32 29.658 -3.729 2.276 1.00 0.86 N ATOM 477 CA ALA A 32 29.876 -4.847 3.187 1.00 0.86 C ATOM 478 C ALA A 32 29.491 -4.482 4.617 1.00 0.75 C ATOM 479 O ALA A 32 29.089 -5.344 5.400 1.00 0.69 O ATOM 480 CB ALA A 32 31.332 -5.285 3.123 1.00 1.06 C ATOM 0 H ALA A 32 30.515 -3.321 1.902 1.00 0.86 H new ATOM 0 HA ALA A 32 29.237 -5.673 2.875 1.00 0.86 H new ATOM 0 HB1 ALA A 32 31.491 -6.120 3.805 1.00 1.06 H new ATOM 0 HB2 ALA A 32 31.574 -5.595 2.107 1.00 1.06 H new ATOM 0 HB3 ALA A 32 31.975 -4.454 3.412 1.00 1.06 H new ATOM 486 N LYS A 33 29.599 -3.196 4.939 1.00 0.80 N ATOM 487 CA LYS A 33 29.276 -2.705 6.274 1.00 0.78 C ATOM 488 C LYS A 33 27.807 -2.929 6.605 1.00 0.67 C ATOM 489 O LYS A 33 27.468 -3.582 7.592 1.00 0.69 O ATOM 490 CB LYS A 33 29.601 -1.215 6.383 1.00 0.94 C ATOM 491 CG LYS A 33 30.905 -0.820 5.708 1.00 1.53 C ATOM 492 CD LYS A 33 32.116 -1.276 6.505 1.00 1.99 C ATOM 493 CE LYS A 33 33.374 -1.282 5.649 1.00 2.99 C ATOM 494 NZ LYS A 33 33.724 0.079 5.153 1.00 3.39 N ATOM 0 H LYS A 33 29.909 -2.473 4.290 1.00 0.80 H new ATOM 0 HA LYS A 33 29.881 -3.264 6.988 1.00 0.78 H new ATOM 0 HB2 LYS A 33 28.786 -0.642 5.941 1.00 0.94 H new ATOM 0 HB3 LYS A 33 29.650 -0.940 7.436 1.00 0.94 H new ATOM 0 HG2 LYS A 33 30.943 -1.255 4.709 1.00 1.53 H new ATOM 0 HG3 LYS A 33 30.937 0.263 5.586 1.00 1.53 H new ATOM 0 HD2 LYS A 33 32.260 -0.616 7.361 1.00 1.99 H new ATOM 0 HD3 LYS A 33 31.938 -2.276 6.900 1.00 1.99 H new ATOM 0 HE2 LYS A 33 34.205 -1.680 6.231 1.00 2.99 H new ATOM 0 HE3 LYS A 33 33.231 -1.950 4.800 1.00 2.99 H new ATOM 0 HZ1 LYS A 33 34.606 0.032 4.603 1.00 3.39 H new ATOM 0 HZ2 LYS A 33 32.957 0.436 4.548 1.00 3.39 H new ATOM 0 HZ3 LYS A 33 33.854 0.720 5.961 1.00 3.39 H new ATOM 508 N THR A 34 26.938 -2.407 5.759 1.00 0.61 N ATOM 509 CA THR A 34 25.509 -2.531 5.972 1.00 0.54 C ATOM 510 C THR A 34 25.006 -3.940 5.676 1.00 0.51 C ATOM 511 O THR A 34 24.048 -4.399 6.289 1.00 0.49 O ATOM 512 CB THR A 34 24.740 -1.513 5.114 1.00 0.53 C ATOM 513 OG1 THR A 34 25.427 -1.287 3.877 1.00 0.65 O ATOM 514 CG2 THR A 34 24.593 -0.197 5.858 1.00 0.56 C ATOM 0 H THR A 34 27.198 -1.893 4.917 1.00 0.61 H new ATOM 0 HA THR A 34 25.327 -2.324 7.027 1.00 0.54 H new ATOM 0 HB THR A 34 23.750 -1.919 4.907 1.00 0.53 H new ATOM 0 HG1 THR A 34 24.927 -0.638 3.339 1.00 0.65 H new ATOM 0 HG21 THR A 34 24.046 0.513 5.237 1.00 0.56 H new ATOM 0 HG22 THR A 34 24.047 -0.363 6.786 1.00 0.56 H new ATOM 0 HG23 THR A 34 25.580 0.205 6.085 1.00 0.56 H new ATOM 522 N ARG A 35 25.671 -4.630 4.755 1.00 0.51 N ATOM 523 CA ARG A 35 25.285 -5.986 4.378 1.00 0.51 C ATOM 524 C ARG A 35 25.307 -6.919 5.586 1.00 0.52 C ATOM 525 O ARG A 35 24.459 -7.799 5.726 1.00 0.52 O ATOM 526 CB ARG A 35 26.236 -6.509 3.297 1.00 0.53 C ATOM 527 CG ARG A 35 25.562 -7.350 2.226 1.00 0.70 C ATOM 528 CD ARG A 35 26.451 -7.501 1.000 1.00 0.79 C ATOM 529 NE ARG A 35 25.735 -8.080 -0.136 1.00 1.64 N ATOM 530 CZ ARG A 35 25.943 -7.728 -1.407 1.00 2.19 C ATOM 531 NH1 ARG A 35 26.856 -6.812 -1.714 1.00 2.09 N ATOM 532 NH2 ARG A 35 25.245 -8.303 -2.375 1.00 3.31 N ATOM 0 H ARG A 35 26.483 -4.271 4.254 1.00 0.51 H new ATOM 0 HA ARG A 35 24.267 -5.959 3.989 1.00 0.51 H new ATOM 0 HB2 ARG A 35 26.728 -5.661 2.821 1.00 0.53 H new ATOM 0 HB3 ARG A 35 27.016 -7.104 3.772 1.00 0.53 H new ATOM 0 HG2 ARG A 35 25.325 -8.334 2.629 1.00 0.70 H new ATOM 0 HG3 ARG A 35 24.618 -6.888 1.938 1.00 0.70 H new ATOM 0 HD2 ARG A 35 26.847 -6.525 0.718 1.00 0.79 H new ATOM 0 HD3 ARG A 35 27.305 -8.132 1.248 1.00 0.79 H new ATOM 0 HE ARG A 35 25.034 -8.796 0.054 1.00 1.64 H new ATOM 0 HH11 ARG A 35 27.405 -6.372 -0.976 1.00 2.09 H new ATOM 0 HH12 ARG A 35 27.008 -6.550 -2.688 1.00 2.09 H new ATOM 0 HH21 ARG A 35 24.549 -9.014 -2.149 1.00 3.31 H new ATOM 0 HH22 ARG A 35 25.403 -8.035 -3.346 1.00 3.31 H new ATOM 546 N GLU A 36 26.272 -6.704 6.464 1.00 0.56 N ATOM 547 CA GLU A 36 26.418 -7.528 7.651 1.00 0.58 C ATOM 548 C GLU A 36 25.534 -7.058 8.799 1.00 0.54 C ATOM 549 O GLU A 36 24.985 -7.875 9.535 1.00 0.61 O ATOM 550 CB GLU A 36 27.875 -7.534 8.104 1.00 0.67 C ATOM 551 CG GLU A 36 28.820 -8.066 7.049 1.00 0.70 C ATOM 552 CD GLU A 36 30.237 -8.219 7.559 1.00 0.85 C ATOM 553 OE1 GLU A 36 30.551 -9.280 8.139 1.00 1.39 O ATOM 554 OE2 GLU A 36 31.045 -7.283 7.378 1.00 1.45 O ATOM 0 H GLU A 36 26.968 -5.963 6.376 1.00 0.56 H new ATOM 0 HA GLU A 36 26.101 -8.536 7.381 1.00 0.58 H new ATOM 0 HB2 GLU A 36 28.171 -6.519 8.371 1.00 0.67 H new ATOM 0 HB3 GLU A 36 27.967 -8.140 9.005 1.00 0.67 H new ATOM 0 HG2 GLU A 36 28.458 -9.032 6.697 1.00 0.70 H new ATOM 0 HG3 GLU A 36 28.817 -7.393 6.192 1.00 0.70 H new ATOM 561 N LYS A 37 25.355 -5.750 8.922 1.00 0.49 N ATOM 562 CA LYS A 37 24.573 -5.203 10.022 1.00 0.47 C ATOM 563 C LYS A 37 23.081 -5.404 9.805 1.00 0.39 C ATOM 564 O LYS A 37 22.334 -5.595 10.765 1.00 0.38 O ATOM 565 CB LYS A 37 24.900 -3.721 10.246 1.00 0.52 C ATOM 566 CG LYS A 37 24.284 -2.769 9.237 1.00 0.86 C ATOM 567 CD LYS A 37 24.541 -1.322 9.619 1.00 0.84 C ATOM 568 CE LYS A 37 26.004 -0.954 9.447 1.00 0.73 C ATOM 569 NZ LYS A 37 26.352 0.304 10.158 1.00 0.98 N ATOM 0 H LYS A 37 25.736 -5.054 8.281 1.00 0.49 H new ATOM 0 HA LYS A 37 24.849 -5.752 10.922 1.00 0.47 H new ATOM 0 HB2 LYS A 37 24.564 -3.437 11.243 1.00 0.52 H new ATOM 0 HB3 LYS A 37 25.983 -3.596 10.227 1.00 0.52 H new ATOM 0 HG2 LYS A 37 24.698 -2.966 8.248 1.00 0.86 H new ATOM 0 HG3 LYS A 37 23.210 -2.946 9.174 1.00 0.86 H new ATOM 0 HD2 LYS A 37 23.925 -0.667 9.003 1.00 0.84 H new ATOM 0 HD3 LYS A 37 24.243 -1.159 10.655 1.00 0.84 H new ATOM 0 HE2 LYS A 37 26.628 -1.766 9.821 1.00 0.73 H new ATOM 0 HE3 LYS A 37 26.227 -0.844 8.386 1.00 0.73 H new ATOM 0 HZ1 LYS A 37 27.360 0.517 10.014 1.00 0.98 H new ATOM 0 HZ2 LYS A 37 25.776 1.085 9.784 1.00 0.98 H new ATOM 0 HZ3 LYS A 37 26.164 0.191 11.175 1.00 0.98 H new ATOM 583 N VAL A 38 22.655 -5.389 8.550 1.00 0.36 N ATOM 584 CA VAL A 38 21.248 -5.568 8.231 1.00 0.31 C ATOM 585 C VAL A 38 20.846 -7.021 8.414 1.00 0.32 C ATOM 586 O VAL A 38 19.808 -7.322 9.011 1.00 0.31 O ATOM 587 CB VAL A 38 20.923 -5.117 6.791 1.00 0.29 C ATOM 588 CG1 VAL A 38 19.491 -5.475 6.415 1.00 0.26 C ATOM 589 CG2 VAL A 38 21.147 -3.621 6.651 1.00 0.30 C ATOM 0 H VAL A 38 23.261 -5.255 7.740 1.00 0.36 H new ATOM 0 HA VAL A 38 20.678 -4.941 8.917 1.00 0.31 H new ATOM 0 HB VAL A 38 21.591 -5.642 6.109 1.00 0.29 H new ATOM 0 HG11 VAL A 38 19.289 -5.146 5.396 1.00 0.26 H new ATOM 0 HG12 VAL A 38 19.357 -6.555 6.481 1.00 0.26 H new ATOM 0 HG13 VAL A 38 18.801 -4.981 7.099 1.00 0.26 H new ATOM 0 HG21 VAL A 38 20.915 -3.312 5.632 1.00 0.30 H new ATOM 0 HG22 VAL A 38 20.499 -3.089 7.348 1.00 0.30 H new ATOM 0 HG23 VAL A 38 22.188 -3.387 6.873 1.00 0.30 H new ATOM 599 N GLU A 39 21.686 -7.922 7.924 1.00 0.36 N ATOM 600 CA GLU A 39 21.410 -9.345 8.037 1.00 0.39 C ATOM 601 C GLU A 39 21.486 -9.789 9.497 1.00 0.41 C ATOM 602 O GLU A 39 20.827 -10.749 9.905 1.00 0.43 O ATOM 603 CB GLU A 39 22.378 -10.153 7.177 1.00 0.44 C ATOM 604 CG GLU A 39 22.121 -10.007 5.689 1.00 0.55 C ATOM 605 CD GLU A 39 21.849 -11.335 5.019 1.00 0.82 C ATOM 606 OE1 GLU A 39 20.712 -11.842 5.130 1.00 1.59 O ATOM 607 OE2 GLU A 39 22.770 -11.874 4.370 1.00 1.44 O ATOM 0 H GLU A 39 22.559 -7.694 7.448 1.00 0.36 H new ATOM 0 HA GLU A 39 20.399 -9.529 7.673 1.00 0.39 H new ATOM 0 HB2 GLU A 39 23.398 -9.837 7.396 1.00 0.44 H new ATOM 0 HB3 GLU A 39 22.305 -11.206 7.450 1.00 0.44 H new ATOM 0 HG2 GLU A 39 21.270 -9.343 5.533 1.00 0.55 H new ATOM 0 HG3 GLU A 39 22.984 -9.535 5.218 1.00 0.55 H new ATOM 614 N ALA A 40 22.280 -9.075 10.282 1.00 0.43 N ATOM 615 CA ALA A 40 22.430 -9.380 11.694 1.00 0.46 C ATOM 616 C ALA A 40 21.248 -8.845 12.490 1.00 0.41 C ATOM 617 O ALA A 40 20.838 -9.436 13.488 1.00 0.43 O ATOM 618 CB ALA A 40 23.729 -8.796 12.217 1.00 0.52 C ATOM 0 H ALA A 40 22.831 -8.279 9.962 1.00 0.43 H new ATOM 0 HA ALA A 40 22.457 -10.463 11.814 1.00 0.46 H new ATOM 0 HB1 ALA A 40 23.833 -9.030 13.277 1.00 0.52 H new ATOM 0 HB2 ALA A 40 24.568 -9.224 11.667 1.00 0.52 H new ATOM 0 HB3 ALA A 40 23.721 -7.714 12.083 1.00 0.52 H new ATOM 624 N ALA A 41 20.695 -7.726 12.030 1.00 0.37 N ATOM 625 CA ALA A 41 19.564 -7.104 12.699 1.00 0.34 C ATOM 626 C ALA A 41 18.278 -7.865 12.418 1.00 0.31 C ATOM 627 O ALA A 41 17.485 -8.112 13.324 1.00 0.34 O ATOM 628 CB ALA A 41 19.426 -5.649 12.272 1.00 0.31 C ATOM 0 H ALA A 41 21.014 -7.234 11.196 1.00 0.37 H new ATOM 0 HA ALA A 41 19.748 -7.136 13.773 1.00 0.34 H new ATOM 0 HB1 ALA A 41 18.574 -5.199 12.783 1.00 0.31 H new ATOM 0 HB2 ALA A 41 20.334 -5.106 12.533 1.00 0.31 H new ATOM 0 HB3 ALA A 41 19.271 -5.599 11.194 1.00 0.31 H new ATOM 634 N MET A 42 18.098 -8.266 11.162 1.00 0.28 N ATOM 635 CA MET A 42 16.901 -8.989 10.739 1.00 0.29 C ATOM 636 C MET A 42 16.809 -10.364 11.400 1.00 0.35 C ATOM 637 O MET A 42 15.762 -11.003 11.373 1.00 0.39 O ATOM 638 CB MET A 42 16.872 -9.132 9.211 1.00 0.27 C ATOM 639 CG MET A 42 17.894 -10.109 8.661 1.00 0.33 C ATOM 640 SD MET A 42 17.648 -10.471 6.915 1.00 0.35 S ATOM 641 CE MET A 42 18.191 -8.937 6.169 1.00 0.33 C ATOM 0 H MET A 42 18.772 -8.101 10.414 1.00 0.28 H new ATOM 0 HA MET A 42 16.036 -8.407 11.058 1.00 0.29 H new ATOM 0 HB2 MET A 42 15.876 -9.454 8.906 1.00 0.27 H new ATOM 0 HB3 MET A 42 17.042 -8.154 8.762 1.00 0.27 H new ATOM 0 HG2 MET A 42 18.894 -9.700 8.805 1.00 0.33 H new ATOM 0 HG3 MET A 42 17.844 -11.037 9.230 1.00 0.33 H new ATOM 0 HE1 MET A 42 18.776 -9.154 5.275 1.00 0.33 H new ATOM 0 HE2 MET A 42 17.322 -8.337 5.897 1.00 0.33 H new ATOM 0 HE3 MET A 42 18.806 -8.384 6.880 1.00 0.33 H new ATOM 651 N ALA A 43 17.897 -10.802 12.015 1.00 0.40 N ATOM 652 CA ALA A 43 17.919 -12.098 12.677 1.00 0.47 C ATOM 653 C ALA A 43 17.520 -11.961 14.142 1.00 0.48 C ATOM 654 O ALA A 43 17.123 -12.933 14.784 1.00 0.53 O ATOM 655 CB ALA A 43 19.300 -12.727 12.555 1.00 0.52 C ATOM 0 H ALA A 43 18.773 -10.282 12.070 1.00 0.40 H new ATOM 0 HA ALA A 43 17.195 -12.749 12.188 1.00 0.47 H new ATOM 0 HB1 ALA A 43 19.304 -13.696 13.054 1.00 0.52 H new ATOM 0 HB2 ALA A 43 19.547 -12.860 11.502 1.00 0.52 H new ATOM 0 HB3 ALA A 43 20.039 -12.076 13.022 1.00 0.52 H new ATOM 661 N GLU A 44 17.618 -10.745 14.656 1.00 0.46 N ATOM 662 CA GLU A 44 17.284 -10.467 16.046 1.00 0.46 C ATOM 663 C GLU A 44 15.786 -10.322 16.245 1.00 0.45 C ATOM 664 O GLU A 44 15.175 -11.055 17.024 1.00 0.48 O ATOM 665 CB GLU A 44 17.970 -9.188 16.503 1.00 0.45 C ATOM 666 CG GLU A 44 19.481 -9.283 16.531 1.00 0.51 C ATOM 667 CD GLU A 44 19.991 -10.332 17.506 1.00 0.63 C ATOM 668 OE1 GLU A 44 19.296 -10.611 18.505 1.00 1.21 O ATOM 669 OE2 GLU A 44 21.088 -10.887 17.268 1.00 1.36 O ATOM 0 H GLU A 44 17.928 -9.929 14.128 1.00 0.46 H new ATOM 0 HA GLU A 44 17.632 -11.313 16.639 1.00 0.46 H new ATOM 0 HB2 GLU A 44 17.678 -8.373 15.840 1.00 0.45 H new ATOM 0 HB3 GLU A 44 17.613 -8.931 17.500 1.00 0.45 H new ATOM 0 HG2 GLU A 44 19.844 -9.518 15.530 1.00 0.51 H new ATOM 0 HG3 GLU A 44 19.896 -8.312 16.801 1.00 0.51 H new ATOM 676 N LEU A 45 15.199 -9.371 15.536 1.00 0.42 N ATOM 677 CA LEU A 45 13.765 -9.109 15.648 1.00 0.44 C ATOM 678 C LEU A 45 12.922 -10.085 14.822 1.00 0.48 C ATOM 679 O LEU A 45 11.695 -10.038 14.866 1.00 0.52 O ATOM 680 CB LEU A 45 13.432 -7.631 15.312 1.00 0.49 C ATOM 681 CG LEU A 45 13.687 -7.095 13.876 1.00 0.82 C ATOM 682 CD1 LEU A 45 14.394 -5.754 13.946 1.00 0.39 C ATOM 683 CD2 LEU A 45 14.499 -8.040 13.014 1.00 1.88 C ATOM 0 H LEU A 45 15.689 -8.766 14.877 1.00 0.42 H new ATOM 0 HA LEU A 45 13.495 -9.279 16.690 1.00 0.44 H new ATOM 0 HB2 LEU A 45 12.377 -7.475 15.536 1.00 0.49 H new ATOM 0 HB3 LEU A 45 14.000 -7.004 16.000 1.00 0.49 H new ATOM 0 HG LEU A 45 12.708 -6.996 13.407 1.00 0.82 H new ATOM 0 HD11 LEU A 45 14.570 -5.383 12.937 1.00 0.39 H new ATOM 0 HD12 LEU A 45 13.773 -5.043 14.491 1.00 0.39 H new ATOM 0 HD13 LEU A 45 15.347 -5.872 14.461 1.00 0.39 H new ATOM 0 HD21 LEU A 45 14.638 -7.602 12.026 1.00 1.88 H new ATOM 0 HD22 LEU A 45 15.471 -8.210 13.476 1.00 1.88 H new ATOM 0 HD23 LEU A 45 13.972 -8.989 12.919 1.00 1.88 H new ATOM 695 N ASN A 46 13.600 -10.981 14.096 1.00 0.49 N ATOM 696 CA ASN A 46 12.938 -11.991 13.261 1.00 0.54 C ATOM 697 C ASN A 46 12.187 -11.341 12.106 1.00 0.51 C ATOM 698 O ASN A 46 10.957 -11.342 12.064 1.00 0.60 O ATOM 699 CB ASN A 46 11.998 -12.868 14.093 1.00 0.62 C ATOM 700 CG ASN A 46 12.736 -13.993 14.786 1.00 1.22 C ATOM 701 OD1 ASN A 46 13.615 -14.625 14.203 1.00 2.01 O ATOM 702 ND2 ASN A 46 12.399 -14.242 16.041 1.00 1.90 N ATOM 0 H ASN A 46 14.619 -11.027 14.070 1.00 0.49 H new ATOM 0 HA ASN A 46 13.714 -12.632 12.842 1.00 0.54 H new ATOM 0 HB2 ASN A 46 11.493 -12.253 14.838 1.00 0.62 H new ATOM 0 HB3 ASN A 46 11.225 -13.285 13.447 1.00 0.62 H new ATOM 0 HD21 ASN A 46 12.874 -14.981 16.560 1.00 1.90 H new ATOM 0 HD22 ASN A 46 11.664 -13.695 16.490 1.00 1.90 H new ATOM 709 N TYR A 47 12.950 -10.796 11.173 1.00 0.42 N ATOM 710 CA TYR A 47 12.405 -10.130 10.002 1.00 0.39 C ATOM 711 C TYR A 47 11.674 -11.121 9.099 1.00 0.49 C ATOM 712 O TYR A 47 12.175 -12.209 8.821 1.00 0.58 O ATOM 713 CB TYR A 47 13.550 -9.448 9.250 1.00 0.27 C ATOM 714 CG TYR A 47 13.196 -8.864 7.898 1.00 0.25 C ATOM 715 CD1 TYR A 47 11.943 -8.319 7.641 1.00 1.16 C ATOM 716 CD2 TYR A 47 14.139 -8.848 6.885 1.00 1.07 C ATOM 717 CE1 TYR A 47 11.643 -7.777 6.407 1.00 1.16 C ATOM 718 CE2 TYR A 47 13.848 -8.309 5.645 1.00 1.08 C ATOM 719 CZ TYR A 47 12.597 -7.776 5.413 1.00 0.23 C ATOM 720 OH TYR A 47 12.302 -7.228 4.188 1.00 0.24 O ATOM 0 H TYR A 47 13.969 -10.803 11.207 1.00 0.42 H new ATOM 0 HA TYR A 47 11.676 -9.382 10.315 1.00 0.39 H new ATOM 0 HB2 TYR A 47 13.946 -8.649 9.877 1.00 0.27 H new ATOM 0 HB3 TYR A 47 14.352 -10.173 9.113 1.00 0.27 H new ATOM 0 HD1 TYR A 47 11.193 -8.320 8.418 1.00 1.16 H new ATOM 0 HD2 TYR A 47 15.119 -9.264 7.066 1.00 1.07 H new ATOM 0 HE1 TYR A 47 10.666 -7.356 6.222 1.00 1.16 H new ATOM 0 HE2 TYR A 47 14.594 -8.305 4.864 1.00 1.08 H new ATOM 0 HH TYR A 47 13.081 -7.306 3.599 1.00 0.24 H new ATOM 730 N ILE A 48 10.482 -10.742 8.654 1.00 0.56 N ATOM 731 CA ILE A 48 9.688 -11.596 7.785 1.00 0.66 C ATOM 732 C ILE A 48 9.643 -11.037 6.360 1.00 0.52 C ATOM 733 O ILE A 48 8.900 -10.096 6.075 1.00 0.55 O ATOM 734 CB ILE A 48 8.239 -11.745 8.310 1.00 0.91 C ATOM 735 CG1 ILE A 48 8.225 -12.050 9.818 1.00 1.16 C ATOM 736 CG2 ILE A 48 7.502 -12.832 7.534 1.00 0.98 C ATOM 737 CD1 ILE A 48 8.995 -13.294 10.199 1.00 1.01 C ATOM 0 H ILE A 48 10.046 -9.849 8.882 1.00 0.56 H new ATOM 0 HA ILE A 48 10.167 -12.575 7.778 1.00 0.66 H new ATOM 0 HB ILE A 48 7.723 -10.797 8.156 1.00 0.91 H new ATOM 0 HG12 ILE A 48 8.642 -11.198 10.355 1.00 1.16 H new ATOM 0 HG13 ILE A 48 7.192 -12.159 10.147 1.00 1.16 H new ATOM 0 HG21 ILE A 48 6.485 -12.925 7.915 1.00 0.98 H new ATOM 0 HG22 ILE A 48 7.471 -12.567 6.477 1.00 0.98 H new ATOM 0 HG23 ILE A 48 8.023 -13.782 7.655 1.00 0.98 H new ATOM 0 HD11 ILE A 48 8.938 -13.441 11.278 1.00 1.01 H new ATOM 0 HD12 ILE A 48 8.565 -14.158 9.692 1.00 1.01 H new ATOM 0 HD13 ILE A 48 10.038 -13.181 9.903 1.00 1.01 H new ATOM 749 N PRO A 49 10.459 -11.591 5.453 1.00 0.44 N ATOM 750 CA PRO A 49 10.489 -11.161 4.052 1.00 0.35 C ATOM 751 C PRO A 49 9.178 -11.519 3.357 1.00 0.39 C ATOM 752 O PRO A 49 8.701 -12.654 3.464 1.00 0.49 O ATOM 753 CB PRO A 49 11.659 -11.950 3.448 1.00 0.40 C ATOM 754 CG PRO A 49 12.416 -12.497 4.617 1.00 0.51 C ATOM 755 CD PRO A 49 11.410 -12.672 5.714 1.00 0.55 C ATOM 0 HA PRO A 49 10.610 -10.083 3.941 1.00 0.35 H new ATOM 0 HB2 PRO A 49 11.300 -12.752 2.802 1.00 0.40 H new ATOM 0 HB3 PRO A 49 12.292 -11.307 2.836 1.00 0.40 H new ATOM 0 HG2 PRO A 49 12.889 -13.446 4.366 1.00 0.51 H new ATOM 0 HG3 PRO A 49 13.211 -11.816 4.921 1.00 0.51 H new ATOM 0 HD2 PRO A 49 10.932 -13.651 5.673 1.00 0.55 H new ATOM 0 HD3 PRO A 49 11.866 -12.581 6.700 1.00 0.55 H new ATOM 763 N ASN A 50 8.584 -10.553 2.667 1.00 0.40 N ATOM 764 CA ASN A 50 7.315 -10.772 1.986 1.00 0.45 C ATOM 765 C ASN A 50 7.485 -10.855 0.479 1.00 0.49 C ATOM 766 O ASN A 50 7.835 -9.870 -0.173 1.00 0.54 O ATOM 767 CB ASN A 50 6.334 -9.652 2.333 1.00 0.45 C ATOM 768 CG ASN A 50 6.002 -9.620 3.807 1.00 0.46 C ATOM 769 OD1 ASN A 50 5.114 -10.335 4.272 1.00 0.50 O ATOM 770 ND2 ASN A 50 6.708 -8.786 4.551 1.00 0.46 N ATOM 0 H ASN A 50 8.961 -9.611 2.565 1.00 0.40 H new ATOM 0 HA ASN A 50 6.921 -11.728 2.330 1.00 0.45 H new ATOM 0 HB2 ASN A 50 6.760 -8.693 2.038 1.00 0.45 H new ATOM 0 HB3 ASN A 50 5.417 -9.784 1.759 1.00 0.45 H new ATOM 0 HD21 ASN A 50 6.526 -8.717 5.552 1.00 0.46 H new ATOM 0 HD22 ASN A 50 7.435 -8.212 4.124 1.00 0.46 H new ATOM 777 N ARG A 51 7.223 -12.035 -0.074 1.00 0.51 N ATOM 778 CA ARG A 51 7.324 -12.241 -1.511 1.00 0.57 C ATOM 779 C ARG A 51 6.093 -11.665 -2.204 1.00 0.56 C ATOM 780 O ARG A 51 6.137 -11.324 -3.381 1.00 0.59 O ATOM 781 CB ARG A 51 7.489 -13.731 -1.855 1.00 0.63 C ATOM 782 CG ARG A 51 6.403 -14.629 -1.277 1.00 1.42 C ATOM 783 CD ARG A 51 5.266 -14.862 -2.267 1.00 2.25 C ATOM 784 NE ARG A 51 4.190 -15.659 -1.680 1.00 3.08 N ATOM 785 CZ ARG A 51 3.029 -15.907 -2.281 1.00 4.17 C ATOM 786 NH1 ARG A 51 2.760 -15.386 -3.474 1.00 4.66 N ATOM 787 NH2 ARG A 51 2.131 -16.674 -1.682 1.00 5.04 N ATOM 0 H ARG A 51 6.939 -12.861 0.452 1.00 0.51 H new ATOM 0 HA ARG A 51 8.213 -11.721 -1.869 1.00 0.57 H new ATOM 0 HB2 ARG A 51 7.499 -13.843 -2.939 1.00 0.63 H new ATOM 0 HB3 ARG A 51 8.458 -14.071 -1.491 1.00 0.63 H new ATOM 0 HG2 ARG A 51 6.838 -15.587 -0.993 1.00 1.42 H new ATOM 0 HG3 ARG A 51 6.005 -14.178 -0.368 1.00 1.42 H new ATOM 0 HD2 ARG A 51 4.869 -13.902 -2.597 1.00 2.25 H new ATOM 0 HD3 ARG A 51 5.652 -15.368 -3.152 1.00 2.25 H new ATOM 0 HE ARG A 51 4.339 -16.050 -0.750 1.00 3.08 H new ATOM 0 HH11 ARG A 51 3.446 -14.790 -3.937 1.00 4.66 H new ATOM 0 HH12 ARG A 51 1.867 -15.582 -3.927 1.00 4.66 H new ATOM 0 HH21 ARG A 51 2.331 -17.072 -0.764 1.00 5.04 H new ATOM 0 HH22 ARG A 51 1.239 -16.867 -2.138 1.00 5.04 H new ATOM 801 N CYS A 52 5.001 -11.534 -1.448 1.00 0.55 N ATOM 802 CA CYS A 52 3.758 -10.997 -1.982 1.00 0.55 C ATOM 803 C CYS A 52 3.927 -9.517 -2.264 1.00 0.52 C ATOM 804 O CYS A 52 3.490 -9.010 -3.295 1.00 0.57 O ATOM 805 CB CYS A 52 2.614 -11.212 -0.994 1.00 0.56 C ATOM 806 SG CYS A 52 1.547 -12.640 -1.368 1.00 0.83 S ATOM 0 H CYS A 52 4.957 -11.794 -0.463 1.00 0.55 H new ATOM 0 HA CYS A 52 3.516 -11.519 -2.908 1.00 0.55 H new ATOM 0 HB2 CYS A 52 3.033 -11.340 0.004 1.00 0.56 H new ATOM 0 HB3 CYS A 52 1.999 -10.312 -0.969 1.00 0.56 H new ATOM 811 N ALA A 53 4.564 -8.836 -1.322 1.00 0.45 N ATOM 812 CA ALA A 53 4.845 -7.420 -1.453 1.00 0.43 C ATOM 813 C ALA A 53 5.889 -7.206 -2.533 1.00 0.43 C ATOM 814 O ALA A 53 5.903 -6.179 -3.204 1.00 0.44 O ATOM 815 CB ALA A 53 5.311 -6.858 -0.141 1.00 0.41 C ATOM 0 H ALA A 53 4.898 -9.250 -0.451 1.00 0.45 H new ATOM 0 HA ALA A 53 3.933 -6.897 -1.739 1.00 0.43 H new ATOM 0 HB1 ALA A 53 5.518 -5.794 -0.254 1.00 0.41 H new ATOM 0 HB2 ALA A 53 4.535 -6.998 0.611 1.00 0.41 H new ATOM 0 HB3 ALA A 53 6.219 -7.373 0.174 1.00 0.41 H new ATOM 821 N GLN A 54 6.760 -8.199 -2.693 1.00 0.45 N ATOM 822 CA GLN A 54 7.803 -8.157 -3.711 1.00 0.48 C ATOM 823 C GLN A 54 7.174 -8.242 -5.096 1.00 0.51 C ATOM 824 O GLN A 54 7.567 -7.527 -6.017 1.00 0.55 O ATOM 825 CB GLN A 54 8.790 -9.308 -3.502 1.00 0.50 C ATOM 826 CG GLN A 54 9.799 -9.475 -4.629 1.00 0.74 C ATOM 827 CD GLN A 54 10.799 -10.581 -4.352 1.00 0.82 C ATOM 828 OE1 GLN A 54 10.569 -11.746 -4.690 1.00 1.21 O ATOM 829 NE2 GLN A 54 11.920 -10.220 -3.745 1.00 1.07 N ATOM 0 H GLN A 54 6.763 -9.047 -2.126 1.00 0.45 H new ATOM 0 HA GLN A 54 8.347 -7.216 -3.627 1.00 0.48 H new ATOM 0 HB2 GLN A 54 9.328 -9.146 -2.568 1.00 0.50 H new ATOM 0 HB3 GLN A 54 8.230 -10.236 -3.390 1.00 0.50 H new ATOM 0 HG2 GLN A 54 9.270 -9.692 -5.557 1.00 0.74 H new ATOM 0 HG3 GLN A 54 10.332 -8.536 -4.778 1.00 0.74 H new ATOM 0 HE21 GLN A 54 12.067 -9.245 -3.484 1.00 1.07 H new ATOM 0 HE22 GLN A 54 12.636 -10.917 -3.539 1.00 1.07 H new ATOM 838 N GLN A 55 6.188 -9.125 -5.233 1.00 0.52 N ATOM 839 CA GLN A 55 5.477 -9.292 -6.494 1.00 0.57 C ATOM 840 C GLN A 55 4.692 -8.030 -6.818 1.00 0.58 C ATOM 841 O GLN A 55 4.528 -7.668 -7.982 1.00 0.74 O ATOM 842 CB GLN A 55 4.531 -10.496 -6.430 1.00 0.62 C ATOM 843 CG GLN A 55 5.248 -11.829 -6.280 1.00 0.65 C ATOM 844 CD GLN A 55 4.293 -12.997 -6.143 1.00 1.22 C ATOM 845 OE1 GLN A 55 3.941 -13.405 -5.036 1.00 1.83 O ATOM 846 NE2 GLN A 55 3.868 -13.549 -7.272 1.00 2.01 N ATOM 0 H GLN A 55 5.864 -9.736 -4.483 1.00 0.52 H new ATOM 0 HA GLN A 55 6.209 -9.472 -7.281 1.00 0.57 H new ATOM 0 HB2 GLN A 55 3.847 -10.365 -5.592 1.00 0.62 H new ATOM 0 HB3 GLN A 55 3.925 -10.519 -7.336 1.00 0.62 H new ATOM 0 HG2 GLN A 55 5.890 -11.990 -7.146 1.00 0.65 H new ATOM 0 HG3 GLN A 55 5.896 -11.791 -5.405 1.00 0.65 H new ATOM 0 HE21 GLN A 55 4.183 -13.181 -8.170 1.00 2.01 H new ATOM 0 HE22 GLN A 55 3.226 -14.341 -7.242 1.00 2.01 H new ATOM 855 N LEU A 56 4.220 -7.363 -5.769 1.00 0.51 N ATOM 856 CA LEU A 56 3.462 -6.129 -5.917 1.00 0.50 C ATOM 857 C LEU A 56 4.385 -4.968 -6.266 1.00 0.47 C ATOM 858 O LEU A 56 4.173 -4.266 -7.253 1.00 0.48 O ATOM 859 CB LEU A 56 2.710 -5.816 -4.619 1.00 0.49 C ATOM 860 CG LEU A 56 1.481 -4.930 -4.779 1.00 0.49 C ATOM 861 CD1 LEU A 56 0.395 -5.695 -5.511 1.00 0.51 C ATOM 862 CD2 LEU A 56 0.978 -4.465 -3.427 1.00 0.48 C ATOM 0 H LEU A 56 4.351 -7.660 -4.802 1.00 0.51 H new ATOM 0 HA LEU A 56 2.746 -6.263 -6.728 1.00 0.50 H new ATOM 0 HB2 LEU A 56 2.403 -6.756 -4.160 1.00 0.49 H new ATOM 0 HB3 LEU A 56 3.399 -5.333 -3.926 1.00 0.49 H new ATOM 0 HG LEU A 56 1.754 -4.049 -5.361 1.00 0.49 H new ATOM 0 HD11 LEU A 56 -0.484 -5.060 -5.625 1.00 0.51 H new ATOM 0 HD12 LEU A 56 0.759 -5.991 -6.495 1.00 0.51 H new ATOM 0 HD13 LEU A 56 0.128 -6.584 -4.940 1.00 0.51 H new ATOM 0 HD21 LEU A 56 0.100 -3.834 -3.563 1.00 0.48 H new ATOM 0 HD22 LEU A 56 0.712 -5.331 -2.820 1.00 0.48 H new ATOM 0 HD23 LEU A 56 1.760 -3.896 -2.924 1.00 0.48 H new ATOM 874 N ALA A 57 5.421 -4.785 -5.458 1.00 0.45 N ATOM 875 CA ALA A 57 6.384 -3.706 -5.659 1.00 0.44 C ATOM 876 C ALA A 57 7.112 -3.856 -6.986 1.00 0.46 C ATOM 877 O ALA A 57 7.415 -2.868 -7.653 1.00 0.49 O ATOM 878 CB ALA A 57 7.380 -3.677 -4.510 1.00 0.44 C ATOM 0 H ALA A 57 5.618 -5.375 -4.650 1.00 0.45 H new ATOM 0 HA ALA A 57 5.838 -2.763 -5.683 1.00 0.44 H new ATOM 0 HB1 ALA A 57 8.095 -2.869 -4.668 1.00 0.44 H new ATOM 0 HB2 ALA A 57 6.849 -3.513 -3.572 1.00 0.44 H new ATOM 0 HB3 ALA A 57 7.911 -4.628 -4.465 1.00 0.44 H new ATOM 884 N GLY A 58 7.392 -5.098 -7.362 1.00 0.53 N ATOM 885 CA GLY A 58 8.073 -5.366 -8.614 1.00 0.61 C ATOM 886 C GLY A 58 7.098 -5.494 -9.770 1.00 0.94 C ATOM 887 O GLY A 58 7.494 -5.825 -10.887 1.00 1.14 O ATOM 0 H GLY A 58 7.158 -5.929 -6.818 1.00 0.53 H new ATOM 0 HA2 GLY A 58 8.780 -4.563 -8.822 1.00 0.61 H new ATOM 0 HA3 GLY A 58 8.652 -6.285 -8.523 1.00 0.61 H new ATOM 1017 N VAL B 4 -9.137 -13.069 -8.619 1.00 0.78 N ATOM 1018 CA VAL B 4 -10.082 -11.974 -8.471 1.00 0.66 C ATOM 1019 C VAL B 4 -9.794 -11.160 -7.226 1.00 0.59 C ATOM 1020 O VAL B 4 -9.576 -11.708 -6.153 1.00 0.64 O ATOM 1021 CB VAL B 4 -11.523 -12.507 -8.408 1.00 0.63 C ATOM 1022 CG1 VAL B 4 -12.527 -11.384 -8.202 1.00 0.56 C ATOM 1023 CG2 VAL B 4 -11.837 -13.288 -9.665 1.00 0.73 C ATOM 0 HA VAL B 4 -9.971 -11.329 -9.343 1.00 0.66 H new ATOM 0 HB VAL B 4 -11.604 -13.172 -7.548 1.00 0.63 H new ATOM 0 HG11 VAL B 4 -13.534 -11.799 -8.163 1.00 0.56 H new ATOM 0 HG12 VAL B 4 -12.310 -10.869 -7.266 1.00 0.56 H new ATOM 0 HG13 VAL B 4 -12.458 -10.678 -9.029 1.00 0.56 H new ATOM 0 HG21 VAL B 4 -12.859 -13.663 -9.615 1.00 0.73 H new ATOM 0 HG22 VAL B 4 -11.732 -12.638 -10.533 1.00 0.73 H new ATOM 0 HG23 VAL B 4 -11.147 -14.127 -9.754 1.00 0.73 H new ATOM 1033 N THR B 5 -9.811 -9.855 -7.383 1.00 0.50 N ATOM 1034 CA THR B 5 -9.546 -8.948 -6.285 1.00 0.45 C ATOM 1035 C THR B 5 -10.850 -8.392 -5.727 1.00 0.40 C ATOM 1036 O THR B 5 -11.933 -8.755 -6.191 1.00 0.39 O ATOM 1037 CB THR B 5 -8.647 -7.801 -6.765 1.00 0.42 C ATOM 1038 OG1 THR B 5 -9.380 -6.960 -7.662 1.00 0.39 O ATOM 1039 CG2 THR B 5 -7.421 -8.357 -7.475 1.00 0.48 C ATOM 0 H THR B 5 -10.008 -9.393 -8.271 1.00 0.50 H new ATOM 0 HA THR B 5 -9.036 -9.495 -5.492 1.00 0.45 H new ATOM 0 HB THR B 5 -8.323 -7.220 -5.902 1.00 0.42 H new ATOM 0 HG1 THR B 5 -9.507 -7.424 -8.516 1.00 0.39 H new ATOM 0 HG21 THR B 5 -6.791 -7.534 -7.811 1.00 0.48 H new ATOM 0 HG22 THR B 5 -6.858 -8.988 -6.788 1.00 0.48 H new ATOM 0 HG23 THR B 5 -7.735 -8.948 -8.335 1.00 0.48 H new ATOM 1047 N LEU B 6 -10.765 -7.491 -4.757 1.00 0.39 N ATOM 1048 CA LEU B 6 -11.960 -6.914 -4.177 1.00 0.36 C ATOM 1049 C LEU B 6 -12.438 -5.806 -5.103 1.00 0.32 C ATOM 1050 O LEU B 6 -13.540 -5.269 -4.974 1.00 0.30 O ATOM 1051 CB LEU B 6 -11.631 -6.427 -2.767 1.00 0.41 C ATOM 1052 CG LEU B 6 -12.540 -5.375 -2.154 1.00 0.44 C ATOM 1053 CD1 LEU B 6 -12.767 -5.681 -0.685 1.00 0.65 C ATOM 1054 CD2 LEU B 6 -11.909 -4.011 -2.313 1.00 0.50 C ATOM 0 H LEU B 6 -9.889 -7.150 -4.362 1.00 0.39 H new ATOM 0 HA LEU B 6 -12.770 -7.637 -4.081 1.00 0.36 H new ATOM 0 HB2 LEU B 6 -11.626 -7.293 -2.105 1.00 0.41 H new ATOM 0 HB3 LEU B 6 -10.616 -6.029 -2.778 1.00 0.41 H new ATOM 0 HG LEU B 6 -13.503 -5.385 -2.665 1.00 0.44 H new ATOM 0 HD11 LEU B 6 -13.419 -4.923 -0.252 1.00 0.65 H new ATOM 0 HD12 LEU B 6 -13.234 -6.661 -0.585 1.00 0.65 H new ATOM 0 HD13 LEU B 6 -11.811 -5.679 -0.161 1.00 0.65 H new ATOM 0 HD21 LEU B 6 -12.560 -3.255 -1.874 1.00 0.50 H new ATOM 0 HD22 LEU B 6 -10.943 -3.996 -1.808 1.00 0.50 H new ATOM 0 HD23 LEU B 6 -11.768 -3.797 -3.372 1.00 0.50 H new ATOM 1066 N TYR B 7 -11.582 -5.512 -6.072 1.00 0.33 N ATOM 1067 CA TYR B 7 -11.842 -4.507 -7.079 1.00 0.32 C ATOM 1068 C TYR B 7 -12.729 -5.090 -8.181 1.00 0.32 C ATOM 1069 O TYR B 7 -13.590 -4.403 -8.735 1.00 0.35 O ATOM 1070 CB TYR B 7 -10.509 -4.027 -7.661 1.00 0.36 C ATOM 1071 CG TYR B 7 -9.888 -2.874 -6.911 1.00 0.37 C ATOM 1072 CD1 TYR B 7 -9.167 -3.057 -5.725 1.00 1.24 C ATOM 1073 CD2 TYR B 7 -10.027 -1.581 -7.400 1.00 1.27 C ATOM 1074 CE1 TYR B 7 -8.618 -1.978 -5.073 1.00 1.25 C ATOM 1075 CE2 TYR B 7 -9.471 -0.505 -6.745 1.00 1.27 C ATOM 1076 CZ TYR B 7 -8.766 -0.709 -5.582 1.00 0.44 C ATOM 1077 OH TYR B 7 -8.205 0.359 -4.922 1.00 0.49 O ATOM 0 H TYR B 7 -10.678 -5.973 -6.177 1.00 0.33 H new ATOM 0 HA TYR B 7 -12.364 -3.661 -6.631 1.00 0.32 H new ATOM 0 HB2 TYR B 7 -9.807 -4.861 -7.669 1.00 0.36 H new ATOM 0 HB3 TYR B 7 -10.664 -3.730 -8.698 1.00 0.36 H new ATOM 0 HD1 TYR B 7 -9.041 -4.050 -5.320 1.00 1.24 H new ATOM 0 HD2 TYR B 7 -10.582 -1.417 -8.312 1.00 1.27 H new ATOM 0 HE1 TYR B 7 -8.067 -2.128 -4.156 1.00 1.25 H new ATOM 0 HE2 TYR B 7 -9.588 0.493 -7.142 1.00 1.27 H new ATOM 0 HH TYR B 7 -8.780 0.619 -4.172 1.00 0.49 H new ATOM 1087 N ASP B 8 -12.516 -6.373 -8.474 1.00 0.33 N ATOM 1088 CA ASP B 8 -13.282 -7.082 -9.504 1.00 0.35 C ATOM 1089 C ASP B 8 -14.717 -7.321 -9.053 1.00 0.31 C ATOM 1090 O ASP B 8 -15.653 -7.213 -9.846 1.00 0.33 O ATOM 1091 CB ASP B 8 -12.633 -8.428 -9.833 1.00 0.41 C ATOM 1092 CG ASP B 8 -11.282 -8.283 -10.498 1.00 0.49 C ATOM 1093 OD1 ASP B 8 -11.240 -8.116 -11.735 1.00 1.31 O ATOM 1094 OD2 ASP B 8 -10.252 -8.336 -9.783 1.00 1.07 O ATOM 0 H ASP B 8 -11.814 -6.948 -8.009 1.00 0.33 H new ATOM 0 HA ASP B 8 -13.287 -6.453 -10.394 1.00 0.35 H new ATOM 0 HB2 ASP B 8 -12.521 -9.005 -8.915 1.00 0.41 H new ATOM 0 HB3 ASP B 8 -13.295 -8.995 -10.487 1.00 0.41 H new ATOM 1099 N VAL B 9 -14.876 -7.660 -7.774 1.00 0.27 N ATOM 1100 CA VAL B 9 -16.192 -7.915 -7.193 1.00 0.25 C ATOM 1101 C VAL B 9 -17.090 -6.692 -7.355 1.00 0.25 C ATOM 1102 O VAL B 9 -18.285 -6.806 -7.632 1.00 0.28 O ATOM 1103 CB VAL B 9 -16.072 -8.272 -5.696 1.00 0.25 C ATOM 1104 CG1 VAL B 9 -17.426 -8.630 -5.107 1.00 0.27 C ATOM 1105 CG2 VAL B 9 -15.090 -9.414 -5.497 1.00 0.28 C ATOM 0 H VAL B 9 -14.103 -7.765 -7.117 1.00 0.27 H new ATOM 0 HA VAL B 9 -16.634 -8.760 -7.721 1.00 0.25 H new ATOM 0 HB VAL B 9 -15.697 -7.393 -5.172 1.00 0.25 H new ATOM 0 HG11 VAL B 9 -17.310 -8.877 -4.052 1.00 0.27 H new ATOM 0 HG12 VAL B 9 -18.103 -7.782 -5.209 1.00 0.27 H new ATOM 0 HG13 VAL B 9 -17.838 -9.489 -5.637 1.00 0.27 H new ATOM 0 HG21 VAL B 9 -15.019 -9.652 -4.436 1.00 0.28 H new ATOM 0 HG22 VAL B 9 -15.437 -10.291 -6.043 1.00 0.28 H new ATOM 0 HG23 VAL B 9 -14.109 -9.119 -5.870 1.00 0.28 H new ATOM 1115 N ALA B 10 -16.486 -5.523 -7.196 1.00 0.25 N ATOM 1116 CA ALA B 10 -17.189 -4.259 -7.333 1.00 0.28 C ATOM 1117 C ALA B 10 -17.644 -4.034 -8.769 1.00 0.33 C ATOM 1118 O ALA B 10 -18.780 -3.634 -9.019 1.00 0.37 O ATOM 1119 CB ALA B 10 -16.283 -3.126 -6.900 1.00 0.31 C ATOM 0 H ALA B 10 -15.496 -5.426 -6.969 1.00 0.25 H new ATOM 0 HA ALA B 10 -18.074 -4.288 -6.698 1.00 0.28 H new ATOM 0 HB1 ALA B 10 -16.811 -2.178 -7.003 1.00 0.31 H new ATOM 0 HB2 ALA B 10 -15.994 -3.269 -5.859 1.00 0.31 H new ATOM 0 HB3 ALA B 10 -15.391 -3.114 -7.526 1.00 0.31 H new ATOM 1125 N GLU B 11 -16.742 -4.313 -9.701 1.00 0.36 N ATOM 1126 CA GLU B 11 -17.003 -4.131 -11.123 1.00 0.44 C ATOM 1127 C GLU B 11 -18.230 -4.917 -11.580 1.00 0.47 C ATOM 1128 O GLU B 11 -19.102 -4.388 -12.271 1.00 0.56 O ATOM 1129 CB GLU B 11 -15.777 -4.572 -11.918 1.00 0.51 C ATOM 1130 CG GLU B 11 -15.575 -3.809 -13.213 1.00 1.27 C ATOM 1131 CD GLU B 11 -14.276 -4.176 -13.896 1.00 1.67 C ATOM 1132 OE1 GLU B 11 -13.224 -3.620 -13.517 1.00 2.34 O ATOM 1133 OE2 GLU B 11 -14.298 -5.024 -14.814 1.00 2.16 O ATOM 0 H GLU B 11 -15.810 -4.671 -9.493 1.00 0.36 H new ATOM 0 HA GLU B 11 -17.206 -3.075 -11.300 1.00 0.44 H new ATOM 0 HB2 GLU B 11 -14.890 -4.452 -11.295 1.00 0.51 H new ATOM 0 HB3 GLU B 11 -15.866 -5.635 -12.144 1.00 0.51 H new ATOM 0 HG2 GLU B 11 -16.408 -4.013 -13.886 1.00 1.27 H new ATOM 0 HG3 GLU B 11 -15.586 -2.739 -13.007 1.00 1.27 H new ATOM 1140 N TYR B 12 -18.295 -6.179 -11.185 1.00 0.43 N ATOM 1141 CA TYR B 12 -19.402 -7.047 -11.559 1.00 0.49 C ATOM 1142 C TYR B 12 -20.699 -6.642 -10.863 1.00 0.49 C ATOM 1143 O TYR B 12 -21.766 -6.621 -11.483 1.00 0.58 O ATOM 1144 CB TYR B 12 -19.064 -8.493 -11.219 1.00 0.49 C ATOM 1145 CG TYR B 12 -20.107 -9.486 -11.679 1.00 0.58 C ATOM 1146 CD1 TYR B 12 -20.184 -9.877 -13.009 1.00 1.15 C ATOM 1147 CD2 TYR B 12 -21.015 -10.034 -10.781 1.00 1.48 C ATOM 1148 CE1 TYR B 12 -21.136 -10.784 -13.431 1.00 1.18 C ATOM 1149 CE2 TYR B 12 -21.968 -10.941 -11.196 1.00 1.58 C ATOM 1150 CZ TYR B 12 -22.026 -11.314 -12.520 1.00 0.81 C ATOM 1151 OH TYR B 12 -22.976 -12.219 -12.935 1.00 0.94 O ATOM 0 H TYR B 12 -17.589 -6.628 -10.601 1.00 0.43 H new ATOM 0 HA TYR B 12 -19.554 -6.946 -12.634 1.00 0.49 H new ATOM 0 HB2 TYR B 12 -18.106 -8.749 -11.673 1.00 0.49 H new ATOM 0 HB3 TYR B 12 -18.940 -8.584 -10.140 1.00 0.49 H new ATOM 0 HD1 TYR B 12 -19.488 -9.465 -13.725 1.00 1.15 H new ATOM 0 HD2 TYR B 12 -20.974 -9.745 -9.741 1.00 1.48 H new ATOM 0 HE1 TYR B 12 -21.184 -11.077 -14.469 1.00 1.18 H new ATOM 0 HE2 TYR B 12 -22.666 -11.357 -10.485 1.00 1.58 H new ATOM 0 HH TYR B 12 -23.522 -12.495 -12.169 1.00 0.94 H new ATOM 1161 N ALA B 13 -20.602 -6.311 -9.581 1.00 0.43 N ATOM 1162 CA ALA B 13 -21.771 -5.933 -8.800 1.00 0.48 C ATOM 1163 C ALA B 13 -22.312 -4.570 -9.236 1.00 0.52 C ATOM 1164 O ALA B 13 -23.471 -4.243 -8.986 1.00 0.64 O ATOM 1165 CB ALA B 13 -21.429 -5.924 -7.317 1.00 0.43 C ATOM 0 H ALA B 13 -19.725 -6.297 -9.061 1.00 0.43 H new ATOM 0 HA ALA B 13 -22.553 -6.672 -8.977 1.00 0.48 H new ATOM 0 HB1 ALA B 13 -22.310 -5.640 -6.742 1.00 0.43 H new ATOM 0 HB2 ALA B 13 -21.102 -6.918 -7.013 1.00 0.43 H new ATOM 0 HB3 ALA B 13 -20.629 -5.207 -7.132 1.00 0.43 H new ATOM 1171 N GLY B 14 -21.461 -3.776 -9.882 1.00 0.48 N ATOM 1172 CA GLY B 14 -21.875 -2.465 -10.349 1.00 0.55 C ATOM 1173 C GLY B 14 -21.759 -1.410 -9.270 1.00 0.52 C ATOM 1174 O GLY B 14 -22.443 -0.386 -9.308 1.00 0.59 O ATOM 0 H GLY B 14 -20.492 -4.018 -10.090 1.00 0.48 H new ATOM 0 HA2 GLY B 14 -21.264 -2.176 -11.204 1.00 0.55 H new ATOM 0 HA3 GLY B 14 -22.907 -2.514 -10.697 1.00 0.55 H new ATOM 1178 N VAL B 15 -20.908 -1.676 -8.292 1.00 0.47 N ATOM 1179 CA VAL B 15 -20.683 -0.761 -7.190 1.00 0.46 C ATOM 1180 C VAL B 15 -19.230 -0.329 -7.177 1.00 0.43 C ATOM 1181 O VAL B 15 -18.431 -0.821 -7.974 1.00 0.43 O ATOM 1182 CB VAL B 15 -21.026 -1.415 -5.833 1.00 0.43 C ATOM 1183 CG1 VAL B 15 -22.503 -1.755 -5.752 1.00 0.50 C ATOM 1184 CG2 VAL B 15 -20.185 -2.663 -5.601 1.00 0.36 C ATOM 0 H VAL B 15 -20.355 -2.532 -8.242 1.00 0.47 H new ATOM 0 HA VAL B 15 -21.334 0.101 -7.332 1.00 0.46 H new ATOM 0 HB VAL B 15 -20.795 -0.693 -5.050 1.00 0.43 H new ATOM 0 HG11 VAL B 15 -22.718 -2.214 -4.787 1.00 0.50 H new ATOM 0 HG12 VAL B 15 -23.092 -0.845 -5.860 1.00 0.50 H new ATOM 0 HG13 VAL B 15 -22.760 -2.451 -6.550 1.00 0.50 H new ATOM 0 HG21 VAL B 15 -20.446 -3.104 -4.639 1.00 0.36 H new ATOM 0 HG22 VAL B 15 -20.378 -3.384 -6.395 1.00 0.36 H new ATOM 0 HG23 VAL B 15 -19.128 -2.395 -5.603 1.00 0.36 H new ATOM 1194 N SER B 16 -18.885 0.591 -6.293 1.00 0.45 N ATOM 1195 CA SER B 16 -17.514 1.039 -6.194 1.00 0.46 C ATOM 1196 C SER B 16 -16.716 -0.001 -5.424 1.00 0.41 C ATOM 1197 O SER B 16 -17.285 -0.748 -4.628 1.00 0.39 O ATOM 1198 CB SER B 16 -17.439 2.402 -5.506 1.00 0.50 C ATOM 1199 OG SER B 16 -18.100 2.398 -4.248 1.00 0.64 O ATOM 0 H SER B 16 -19.531 1.036 -5.641 1.00 0.45 H new ATOM 0 HA SER B 16 -17.093 1.154 -7.193 1.00 0.46 H new ATOM 0 HB2 SER B 16 -16.395 2.681 -5.366 1.00 0.50 H new ATOM 0 HB3 SER B 16 -17.888 3.159 -6.150 1.00 0.50 H new ATOM 0 HG SER B 16 -18.497 1.516 -4.090 1.00 0.64 H new ATOM 1205 N TYR B 17 -15.418 -0.080 -5.667 1.00 0.42 N ATOM 1206 CA TYR B 17 -14.578 -1.042 -4.965 1.00 0.41 C ATOM 1207 C TYR B 17 -14.662 -0.799 -3.460 1.00 0.41 C ATOM 1208 O TYR B 17 -14.528 -1.724 -2.655 1.00 0.40 O ATOM 1209 CB TYR B 17 -13.131 -0.949 -5.471 1.00 0.51 C ATOM 1210 CG TYR B 17 -12.160 -0.354 -4.479 1.00 0.40 C ATOM 1211 CD1 TYR B 17 -11.952 1.016 -4.410 1.00 1.31 C ATOM 1212 CD2 TYR B 17 -11.457 -1.171 -3.610 1.00 1.26 C ATOM 1213 CE1 TYR B 17 -11.066 1.551 -3.500 1.00 1.49 C ATOM 1214 CE2 TYR B 17 -10.570 -0.649 -2.696 1.00 1.43 C ATOM 1215 CZ TYR B 17 -10.381 0.716 -2.648 1.00 1.02 C ATOM 1216 OH TYR B 17 -9.504 1.251 -1.746 1.00 1.42 O ATOM 0 H TYR B 17 -14.924 0.505 -6.340 1.00 0.42 H new ATOM 0 HA TYR B 17 -14.935 -2.052 -5.165 1.00 0.41 H new ATOM 0 HB2 TYR B 17 -12.789 -1.948 -5.742 1.00 0.51 H new ATOM 0 HB3 TYR B 17 -13.115 -0.349 -6.381 1.00 0.51 H new ATOM 0 HD1 TYR B 17 -12.491 1.671 -5.078 1.00 1.31 H new ATOM 0 HD2 TYR B 17 -11.608 -2.240 -3.650 1.00 1.26 H new ATOM 0 HE1 TYR B 17 -10.910 2.619 -3.456 1.00 1.49 H new ATOM 0 HE2 TYR B 17 -10.029 -1.300 -2.025 1.00 1.43 H new ATOM 0 HH TYR B 17 -9.101 0.532 -1.216 1.00 1.42 H new ATOM 1226 N GLN B 18 -14.917 0.454 -3.095 1.00 0.42 N ATOM 1227 CA GLN B 18 -15.040 0.843 -1.702 1.00 0.44 C ATOM 1228 C GLN B 18 -16.257 0.189 -1.075 1.00 0.38 C ATOM 1229 O GLN B 18 -16.277 -0.085 0.122 1.00 0.38 O ATOM 1230 CB GLN B 18 -15.150 2.355 -1.583 1.00 0.52 C ATOM 1231 CG GLN B 18 -14.373 2.914 -0.412 1.00 0.97 C ATOM 1232 CD GLN B 18 -13.629 4.183 -0.773 1.00 0.84 C ATOM 1233 OE1 GLN B 18 -13.407 5.036 0.077 1.00 0.93 O ATOM 1234 NE2 GLN B 18 -13.243 4.318 -2.043 1.00 0.87 N ATOM 0 H GLN B 18 -15.043 1.221 -3.755 1.00 0.42 H new ATOM 0 HA GLN B 18 -14.147 0.509 -1.173 1.00 0.44 H new ATOM 0 HB2 GLN B 18 -14.789 2.814 -2.504 1.00 0.52 H new ATOM 0 HB3 GLN B 18 -16.200 2.630 -1.480 1.00 0.52 H new ATOM 0 HG2 GLN B 18 -15.057 3.118 0.412 1.00 0.97 H new ATOM 0 HG3 GLN B 18 -13.663 2.166 -0.059 1.00 0.97 H new ATOM 0 HE21 GLN B 18 -13.448 3.583 -2.719 1.00 0.87 H new ATOM 0 HE22 GLN B 18 -12.742 5.157 -2.338 1.00 0.87 H new ATOM 1243 N THR B 19 -17.275 -0.056 -1.892 1.00 0.39 N ATOM 1244 CA THR B 19 -18.490 -0.701 -1.426 1.00 0.38 C ATOM 1245 C THR B 19 -18.150 -2.092 -0.921 1.00 0.34 C ATOM 1246 O THR B 19 -18.654 -2.534 0.109 1.00 0.36 O ATOM 1247 CB THR B 19 -19.540 -0.791 -2.549 1.00 0.41 C ATOM 1248 OG1 THR B 19 -19.686 0.487 -3.176 1.00 0.54 O ATOM 1249 CG2 THR B 19 -20.886 -1.254 -2.013 1.00 0.45 C ATOM 0 H THR B 19 -17.280 0.184 -2.883 1.00 0.39 H new ATOM 0 HA THR B 19 -18.916 -0.104 -0.619 1.00 0.38 H new ATOM 0 HB THR B 19 -19.194 -1.524 -3.278 1.00 0.41 H new ATOM 0 HG1 THR B 19 -20.633 0.650 -3.370 1.00 0.54 H new ATOM 0 HG21 THR B 19 -21.605 -1.307 -2.831 1.00 0.45 H new ATOM 0 HG22 THR B 19 -20.778 -2.240 -1.561 1.00 0.45 H new ATOM 0 HG23 THR B 19 -21.241 -0.548 -1.263 1.00 0.45 H new ATOM 1257 N VAL B 20 -17.259 -2.757 -1.646 1.00 0.33 N ATOM 1258 CA VAL B 20 -16.812 -4.090 -1.279 1.00 0.33 C ATOM 1259 C VAL B 20 -15.965 -4.002 -0.016 1.00 0.36 C ATOM 1260 O VAL B 20 -16.150 -4.782 0.917 1.00 0.40 O ATOM 1261 CB VAL B 20 -16.013 -4.758 -2.416 1.00 0.39 C ATOM 1262 CG1 VAL B 20 -15.787 -6.232 -2.125 1.00 0.40 C ATOM 1263 CG2 VAL B 20 -16.727 -4.588 -3.745 1.00 0.44 C ATOM 0 H VAL B 20 -16.831 -2.390 -2.496 1.00 0.33 H new ATOM 0 HA VAL B 20 -17.689 -4.710 -1.095 1.00 0.33 H new ATOM 0 HB VAL B 20 -15.042 -4.267 -2.478 1.00 0.39 H new ATOM 0 HG11 VAL B 20 -15.221 -6.681 -2.941 1.00 0.40 H new ATOM 0 HG12 VAL B 20 -15.228 -6.338 -1.195 1.00 0.40 H new ATOM 0 HG13 VAL B 20 -16.749 -6.736 -2.030 1.00 0.40 H new ATOM 0 HG21 VAL B 20 -16.146 -5.067 -4.534 1.00 0.44 H new ATOM 0 HG22 VAL B 20 -17.713 -5.049 -3.690 1.00 0.44 H new ATOM 0 HG23 VAL B 20 -16.835 -3.526 -3.967 1.00 0.44 H new ATOM 1273 N SER B 21 -15.045 -3.034 0.011 1.00 0.39 N ATOM 1274 CA SER B 21 -14.199 -2.794 1.168 1.00 0.45 C ATOM 1275 C SER B 21 -15.043 -2.589 2.423 1.00 0.45 C ATOM 1276 O SER B 21 -14.653 -2.982 3.525 1.00 0.52 O ATOM 1277 CB SER B 21 -13.351 -1.556 0.918 1.00 0.50 C ATOM 1278 OG SER B 21 -12.329 -1.823 -0.023 1.00 1.29 O ATOM 0 H SER B 21 -14.871 -2.400 -0.769 1.00 0.39 H new ATOM 0 HA SER B 21 -13.558 -3.662 1.321 1.00 0.45 H new ATOM 0 HB2 SER B 21 -13.983 -0.746 0.554 1.00 0.50 H new ATOM 0 HB3 SER B 21 -12.908 -1.219 1.855 1.00 0.50 H new ATOM 0 HG SER B 21 -12.221 -1.050 -0.616 1.00 1.29 H new ATOM 1284 N ARG B 22 -16.208 -1.982 2.242 1.00 0.44 N ATOM 1285 CA ARG B 22 -17.111 -1.715 3.349 1.00 0.51 C ATOM 1286 C ARG B 22 -17.907 -2.964 3.728 1.00 0.54 C ATOM 1287 O ARG B 22 -18.050 -3.278 4.903 1.00 0.65 O ATOM 1288 CB ARG B 22 -18.045 -0.554 3.003 1.00 0.59 C ATOM 1289 CG ARG B 22 -17.312 0.771 2.866 1.00 0.72 C ATOM 1290 CD ARG B 22 -18.216 1.956 3.139 1.00 1.03 C ATOM 1291 NE ARG B 22 -17.521 2.981 3.909 1.00 1.46 N ATOM 1292 CZ ARG B 22 -17.278 4.214 3.479 1.00 2.05 C ATOM 1293 NH1 ARG B 22 -17.652 4.589 2.258 1.00 2.55 N ATOM 1294 NH2 ARG B 22 -16.637 5.064 4.269 1.00 2.66 N ATOM 0 H ARG B 22 -16.549 -1.665 1.335 1.00 0.44 H new ATOM 0 HA ARG B 22 -16.514 -1.432 4.216 1.00 0.51 H new ATOM 0 HB2 ARG B 22 -18.563 -0.776 2.070 1.00 0.59 H new ATOM 0 HB3 ARG B 22 -18.807 -0.464 3.777 1.00 0.59 H new ATOM 0 HG2 ARG B 22 -16.470 0.792 3.558 1.00 0.72 H new ATOM 0 HG3 ARG B 22 -16.900 0.854 1.860 1.00 0.72 H new ATOM 0 HD2 ARG B 22 -18.562 2.378 2.196 1.00 1.03 H new ATOM 0 HD3 ARG B 22 -19.100 1.625 3.684 1.00 1.03 H new ATOM 0 HE ARG B 22 -17.198 2.733 4.844 1.00 1.46 H new ATOM 0 HH11 ARG B 22 -18.129 3.928 1.645 1.00 2.55 H new ATOM 0 HH12 ARG B 22 -17.462 5.538 1.935 1.00 2.55 H new ATOM 0 HH21 ARG B 22 -16.335 4.769 5.198 1.00 2.66 H new ATOM 0 HH22 ARG B 22 -16.445 6.013 3.948 1.00 2.66 H new ATOM 1308 N VAL B 23 -18.392 -3.700 2.736 1.00 0.50 N ATOM 1309 CA VAL B 23 -19.158 -4.915 2.999 1.00 0.58 C ATOM 1310 C VAL B 23 -18.330 -5.903 3.815 1.00 0.62 C ATOM 1311 O VAL B 23 -18.857 -6.633 4.654 1.00 0.74 O ATOM 1312 CB VAL B 23 -19.624 -5.584 1.687 1.00 0.57 C ATOM 1313 CG1 VAL B 23 -20.227 -6.953 1.951 1.00 0.67 C ATOM 1314 CG2 VAL B 23 -20.628 -4.701 0.971 1.00 0.55 C ATOM 0 H VAL B 23 -18.271 -3.480 1.747 1.00 0.50 H new ATOM 0 HA VAL B 23 -20.041 -4.628 3.570 1.00 0.58 H new ATOM 0 HB VAL B 23 -18.749 -5.716 1.050 1.00 0.57 H new ATOM 0 HG11 VAL B 23 -20.545 -7.398 1.008 1.00 0.67 H new ATOM 0 HG12 VAL B 23 -19.482 -7.594 2.422 1.00 0.67 H new ATOM 0 HG13 VAL B 23 -21.087 -6.850 2.613 1.00 0.67 H new ATOM 0 HG21 VAL B 23 -20.947 -5.186 0.049 1.00 0.55 H new ATOM 0 HG22 VAL B 23 -21.493 -4.539 1.614 1.00 0.55 H new ATOM 0 HG23 VAL B 23 -20.166 -3.742 0.736 1.00 0.55 H new ATOM 1324 N VAL B 24 -17.030 -5.898 3.576 1.00 0.59 N ATOM 1325 CA VAL B 24 -16.122 -6.783 4.277 1.00 0.69 C ATOM 1326 C VAL B 24 -15.668 -6.196 5.618 1.00 0.76 C ATOM 1327 O VAL B 24 -15.435 -6.933 6.579 1.00 0.89 O ATOM 1328 CB VAL B 24 -14.876 -7.084 3.409 1.00 0.68 C ATOM 1329 CG1 VAL B 24 -13.968 -8.088 4.090 1.00 0.81 C ATOM 1330 CG2 VAL B 24 -15.282 -7.582 2.030 1.00 0.66 C ATOM 0 H VAL B 24 -16.579 -5.285 2.896 1.00 0.59 H new ATOM 0 HA VAL B 24 -16.669 -7.705 4.473 1.00 0.69 H new ATOM 0 HB VAL B 24 -14.323 -6.153 3.288 1.00 0.68 H new ATOM 0 HG11 VAL B 24 -13.101 -8.281 3.459 1.00 0.81 H new ATOM 0 HG12 VAL B 24 -13.637 -7.688 5.048 1.00 0.81 H new ATOM 0 HG13 VAL B 24 -14.512 -9.018 4.254 1.00 0.81 H new ATOM 0 HG21 VAL B 24 -14.389 -7.786 1.439 1.00 0.66 H new ATOM 0 HG22 VAL B 24 -15.867 -8.496 2.131 1.00 0.66 H new ATOM 0 HG23 VAL B 24 -15.881 -6.821 1.530 1.00 0.66 H new ATOM 1340 N ASN B 25 -15.553 -4.872 5.692 1.00 0.72 N ATOM 1341 CA ASN B 25 -15.081 -4.227 6.916 1.00 0.79 C ATOM 1342 C ASN B 25 -16.070 -3.207 7.488 1.00 1.20 C ATOM 1343 O ASN B 25 -16.657 -3.426 8.552 1.00 1.68 O ATOM 1344 CB ASN B 25 -13.745 -3.536 6.654 1.00 0.77 C ATOM 1345 CG ASN B 25 -12.713 -4.463 6.037 1.00 1.05 C ATOM 1346 OD1 ASN B 25 -12.050 -5.223 6.739 1.00 1.59 O ATOM 1347 ND2 ASN B 25 -12.564 -4.399 4.718 1.00 1.07 N ATOM 0 H ASN B 25 -15.777 -4.232 4.930 1.00 0.72 H new ATOM 0 HA ASN B 25 -14.972 -5.018 7.658 1.00 0.79 H new ATOM 0 HB2 ASN B 25 -13.905 -2.686 5.991 1.00 0.77 H new ATOM 0 HB3 ASN B 25 -13.356 -3.140 7.592 1.00 0.77 H new ATOM 0 HD21 ASN B 25 -11.879 -4.995 4.253 1.00 1.07 H new ATOM 0 HD22 ASN B 25 -13.134 -3.754 4.171 1.00 1.07 H new ATOM 1392 N HIS B 29 -22.983 2.419 6.456 1.00 0.98 N ATOM 1393 CA HIS B 29 -23.179 3.065 5.167 1.00 0.93 C ATOM 1394 C HIS B 29 -23.282 2.026 4.060 1.00 0.85 C ATOM 1395 O HIS B 29 -22.845 2.267 2.934 1.00 1.08 O ATOM 1396 CB HIS B 29 -22.076 4.059 4.781 1.00 1.01 C ATOM 1397 CG HIS B 29 -21.292 4.721 5.873 1.00 0.97 C ATOM 1398 ND1 HIS B 29 -20.128 5.392 5.601 1.00 1.04 N ATOM 1399 CD2 HIS B 29 -21.503 4.862 7.206 1.00 1.26 C ATOM 1400 CE1 HIS B 29 -19.653 5.918 6.699 1.00 1.07 C ATOM 1401 NE2 HIS B 29 -20.464 5.615 7.695 1.00 1.31 N ATOM 0 HA HIS B 29 -24.105 3.629 5.277 1.00 0.93 H new ATOM 0 HB2 HIS B 29 -21.369 3.535 4.137 1.00 1.01 H new ATOM 0 HB3 HIS B 29 -22.534 4.844 4.180 1.00 1.01 H new ATOM 0 HD2 HIS B 29 -22.329 4.459 7.773 1.00 1.26 H new ATOM 0 HE1 HIS B 29 -18.748 6.503 6.778 1.00 1.07 H new ATOM 0 HE2 HIS B 29 -20.340 5.894 8.668 1.00 1.31 H new ATOM 1410 N VAL B 30 -23.851 0.874 4.368 1.00 0.81 N ATOM 1411 CA VAL B 30 -23.984 -0.178 3.378 1.00 0.78 C ATOM 1412 C VAL B 30 -25.367 -0.794 3.433 1.00 0.81 C ATOM 1413 O VAL B 30 -25.730 -1.453 4.411 1.00 0.92 O ATOM 1414 CB VAL B 30 -22.930 -1.292 3.560 1.00 0.88 C ATOM 1415 CG1 VAL B 30 -23.051 -2.333 2.460 1.00 1.01 C ATOM 1416 CG2 VAL B 30 -21.524 -0.721 3.578 1.00 1.22 C ATOM 0 H VAL B 30 -24.226 0.645 5.289 1.00 0.81 H new ATOM 0 HA VAL B 30 -23.823 0.290 2.407 1.00 0.78 H new ATOM 0 HB VAL B 30 -23.120 -1.770 4.521 1.00 0.88 H new ATOM 0 HG11 VAL B 30 -22.299 -3.108 2.608 1.00 1.01 H new ATOM 0 HG12 VAL B 30 -24.044 -2.781 2.490 1.00 1.01 H new ATOM 0 HG13 VAL B 30 -22.897 -1.858 1.491 1.00 1.01 H new ATOM 0 HG21 VAL B 30 -20.805 -1.530 3.708 1.00 1.22 H new ATOM 0 HG22 VAL B 30 -21.328 -0.208 2.637 1.00 1.22 H new ATOM 0 HG23 VAL B 30 -21.429 -0.015 4.403 1.00 1.22 H new ATOM 1426 N SER B 31 -26.144 -0.553 2.389 1.00 0.82 N ATOM 1427 CA SER B 31 -27.486 -1.099 2.292 1.00 0.88 C ATOM 1428 C SER B 31 -27.437 -2.615 2.104 1.00 0.94 C ATOM 1429 O SER B 31 -26.465 -3.146 1.564 1.00 1.42 O ATOM 1430 CB SER B 31 -28.224 -0.436 1.132 1.00 0.90 C ATOM 1431 OG SER B 31 -27.329 -0.072 0.096 1.00 0.83 O ATOM 0 H SER B 31 -25.865 0.021 1.593 1.00 0.82 H new ATOM 0 HA SER B 31 -28.022 -0.893 3.218 1.00 0.88 H new ATOM 0 HB2 SER B 31 -28.979 -1.118 0.741 1.00 0.90 H new ATOM 0 HB3 SER B 31 -28.749 0.449 1.490 1.00 0.90 H new ATOM 0 HG SER B 31 -26.685 -0.796 -0.050 1.00 0.83 H new ATOM 1437 N ALA B 32 -28.488 -3.303 2.547 1.00 0.88 N ATOM 1438 CA ALA B 32 -28.563 -4.756 2.441 1.00 0.92 C ATOM 1439 C ALA B 32 -28.417 -5.221 0.995 1.00 0.86 C ATOM 1440 O ALA B 32 -27.769 -6.231 0.727 1.00 0.88 O ATOM 1441 CB ALA B 32 -29.869 -5.266 3.035 1.00 1.07 C ATOM 0 H ALA B 32 -29.303 -2.873 2.985 1.00 0.88 H new ATOM 0 HA ALA B 32 -27.731 -5.173 3.009 1.00 0.92 H new ATOM 0 HB1 ALA B 32 -29.909 -6.352 2.948 1.00 1.07 H new ATOM 0 HB2 ALA B 32 -29.925 -4.984 4.086 1.00 1.07 H new ATOM 0 HB3 ALA B 32 -30.709 -4.828 2.497 1.00 1.07 H new ATOM 1447 N LYS B 33 -29.006 -4.472 0.068 1.00 0.85 N ATOM 1448 CA LYS B 33 -28.941 -4.808 -1.352 1.00 0.87 C ATOM 1449 C LYS B 33 -27.494 -4.859 -1.843 1.00 0.79 C ATOM 1450 O LYS B 33 -27.063 -5.861 -2.409 1.00 0.86 O ATOM 1451 CB LYS B 33 -29.731 -3.793 -2.177 1.00 0.95 C ATOM 1452 CG LYS B 33 -29.684 -4.062 -3.678 1.00 1.51 C ATOM 1453 CD LYS B 33 -30.362 -2.954 -4.468 1.00 1.82 C ATOM 1454 CE LYS B 33 -29.697 -1.608 -4.226 1.00 2.55 C ATOM 1455 NZ LYS B 33 -30.331 -0.525 -5.019 1.00 3.30 N ATOM 0 H LYS B 33 -29.536 -3.625 0.275 1.00 0.85 H new ATOM 0 HA LYS B 33 -29.383 -5.796 -1.480 1.00 0.87 H new ATOM 0 HB2 LYS B 33 -30.770 -3.798 -1.847 1.00 0.95 H new ATOM 0 HB3 LYS B 33 -29.340 -2.795 -1.982 1.00 0.95 H new ATOM 0 HG2 LYS B 33 -28.647 -4.156 -3.999 1.00 1.51 H new ATOM 0 HG3 LYS B 33 -30.171 -5.013 -3.893 1.00 1.51 H new ATOM 0 HD2 LYS B 33 -30.328 -3.191 -5.531 1.00 1.82 H new ATOM 0 HD3 LYS B 33 -31.414 -2.897 -4.187 1.00 1.82 H new ATOM 0 HE2 LYS B 33 -29.753 -1.361 -3.166 1.00 2.55 H new ATOM 0 HE3 LYS B 33 -28.640 -1.674 -4.483 1.00 2.55 H new ATOM 0 HZ1 LYS B 33 -29.848 0.375 -4.825 1.00 3.30 H new ATOM 0 HZ2 LYS B 33 -30.256 -0.747 -6.032 1.00 3.30 H new ATOM 0 HZ3 LYS B 33 -31.334 -0.444 -4.756 1.00 3.30 H new ATOM 1469 N THR B 34 -26.741 -3.784 -1.620 1.00 0.68 N ATOM 1470 CA THR B 34 -25.354 -3.728 -2.062 1.00 0.61 C ATOM 1471 C THR B 34 -24.484 -4.711 -1.291 1.00 0.57 C ATOM 1472 O THR B 34 -23.553 -5.294 -1.847 1.00 0.54 O ATOM 1473 CB THR B 34 -24.772 -2.311 -1.920 1.00 0.64 C ATOM 1474 OG1 THR B 34 -25.283 -1.680 -0.736 1.00 0.79 O ATOM 1475 CG2 THR B 34 -25.110 -1.467 -3.138 1.00 0.73 C ATOM 0 H THR B 34 -27.067 -2.946 -1.139 1.00 0.68 H new ATOM 0 HA THR B 34 -25.351 -4.005 -3.116 1.00 0.61 H new ATOM 0 HB THR B 34 -23.688 -2.395 -1.842 1.00 0.64 H new ATOM 0 HG1 THR B 34 -25.488 -2.363 -0.064 1.00 0.79 H new ATOM 0 HG21 THR B 34 -24.689 -0.469 -3.017 1.00 0.73 H new ATOM 0 HG22 THR B 34 -24.691 -1.932 -4.030 1.00 0.73 H new ATOM 0 HG23 THR B 34 -26.193 -1.394 -3.241 1.00 0.73 H new ATOM 1483 N ARG B 35 -24.797 -4.901 -0.018 1.00 0.61 N ATOM 1484 CA ARG B 35 -24.039 -5.815 0.826 1.00 0.61 C ATOM 1485 C ARG B 35 -24.154 -7.238 0.299 1.00 0.60 C ATOM 1486 O ARG B 35 -23.150 -7.913 0.067 1.00 0.60 O ATOM 1487 CB ARG B 35 -24.540 -5.742 2.272 1.00 0.69 C ATOM 1488 CG ARG B 35 -23.716 -6.564 3.246 1.00 0.89 C ATOM 1489 CD ARG B 35 -24.252 -6.430 4.658 1.00 1.00 C ATOM 1490 NE ARG B 35 -25.582 -7.021 4.800 1.00 1.71 N ATOM 1491 CZ ARG B 35 -26.567 -6.468 5.501 1.00 2.09 C ATOM 1492 NH1 ARG B 35 -26.376 -5.301 6.105 1.00 1.87 N ATOM 1493 NH2 ARG B 35 -27.743 -7.074 5.593 1.00 3.21 N ATOM 0 H ARG B 35 -25.571 -4.434 0.454 1.00 0.61 H new ATOM 0 HA ARG B 35 -22.990 -5.519 0.805 1.00 0.61 H new ATOM 0 HB2 ARG B 35 -24.537 -4.701 2.596 1.00 0.69 H new ATOM 0 HB3 ARG B 35 -25.574 -6.084 2.306 1.00 0.69 H new ATOM 0 HG2 ARG B 35 -23.730 -7.612 2.946 1.00 0.89 H new ATOM 0 HG3 ARG B 35 -22.677 -6.237 3.215 1.00 0.89 H new ATOM 0 HD2 ARG B 35 -23.565 -6.913 5.353 1.00 1.00 H new ATOM 0 HD3 ARG B 35 -24.293 -5.376 4.931 1.00 1.00 H new ATOM 0 HE ARG B 35 -25.765 -7.910 4.334 1.00 1.71 H new ATOM 0 HH11 ARG B 35 -25.474 -4.830 6.031 1.00 1.87 H new ATOM 0 HH12 ARG B 35 -27.131 -4.876 6.643 1.00 1.87 H new ATOM 0 HH21 ARG B 35 -27.894 -7.968 5.125 1.00 3.21 H new ATOM 0 HH22 ARG B 35 -28.496 -6.647 6.132 1.00 3.21 H new ATOM 1507 N GLU B 36 -25.388 -7.669 0.079 1.00 0.63 N ATOM 1508 CA GLU B 36 -25.656 -9.008 -0.422 1.00 0.67 C ATOM 1509 C GLU B 36 -25.182 -9.166 -1.861 1.00 0.62 C ATOM 1510 O GLU B 36 -24.759 -10.247 -2.269 1.00 0.65 O ATOM 1511 CB GLU B 36 -27.144 -9.309 -0.338 1.00 0.75 C ATOM 1512 CG GLU B 36 -27.647 -9.508 1.078 1.00 0.84 C ATOM 1513 CD GLU B 36 -28.954 -10.264 1.113 1.00 1.38 C ATOM 1514 OE1 GLU B 36 -29.149 -11.161 0.260 1.00 1.98 O ATOM 1515 OE2 GLU B 36 -29.796 -9.966 1.986 1.00 2.09 O ATOM 0 H GLU B 36 -26.223 -7.106 0.241 1.00 0.63 H new ATOM 0 HA GLU B 36 -25.105 -9.714 0.200 1.00 0.67 H new ATOM 0 HB2 GLU B 36 -27.698 -8.491 -0.799 1.00 0.75 H new ATOM 0 HB3 GLU B 36 -27.358 -10.206 -0.919 1.00 0.75 H new ATOM 0 HG2 GLU B 36 -26.899 -10.051 1.656 1.00 0.84 H new ATOM 0 HG3 GLU B 36 -27.777 -8.537 1.556 1.00 0.84 H new ATOM 1522 N LYS B 37 -25.249 -8.081 -2.624 1.00 0.58 N ATOM 1523 CA LYS B 37 -24.828 -8.088 -4.018 1.00 0.56 C ATOM 1524 C LYS B 37 -23.333 -8.358 -4.116 1.00 0.48 C ATOM 1525 O LYS B 37 -22.884 -9.136 -4.957 1.00 0.49 O ATOM 1526 CB LYS B 37 -25.164 -6.750 -4.676 1.00 0.58 C ATOM 1527 CG LYS B 37 -24.985 -6.745 -6.183 1.00 1.00 C ATOM 1528 CD LYS B 37 -25.439 -5.427 -6.791 1.00 1.13 C ATOM 1529 CE LYS B 37 -26.910 -5.154 -6.521 1.00 1.31 C ATOM 1530 NZ LYS B 37 -27.792 -6.021 -7.341 1.00 1.66 N ATOM 0 H LYS B 37 -25.594 -7.179 -2.296 1.00 0.58 H new ATOM 0 HA LYS B 37 -25.362 -8.882 -4.540 1.00 0.56 H new ATOM 0 HB2 LYS B 37 -26.196 -6.490 -4.441 1.00 0.58 H new ATOM 0 HB3 LYS B 37 -24.533 -5.974 -4.242 1.00 0.58 H new ATOM 0 HG2 LYS B 37 -23.937 -6.918 -6.427 1.00 1.00 H new ATOM 0 HG3 LYS B 37 -25.554 -7.565 -6.621 1.00 1.00 H new ATOM 0 HD2 LYS B 37 -24.838 -4.614 -6.384 1.00 1.13 H new ATOM 0 HD3 LYS B 37 -25.265 -5.445 -7.867 1.00 1.13 H new ATOM 0 HE2 LYS B 37 -27.122 -5.317 -5.464 1.00 1.31 H new ATOM 0 HE3 LYS B 37 -27.130 -4.108 -6.733 1.00 1.31 H new ATOM 0 HZ1 LYS B 37 -28.787 -5.805 -7.128 1.00 1.66 H new ATOM 0 HZ2 LYS B 37 -27.608 -5.848 -8.350 1.00 1.66 H new ATOM 0 HZ3 LYS B 37 -27.600 -7.019 -7.120 1.00 1.66 H new ATOM 1544 N VAL B 38 -22.574 -7.711 -3.244 1.00 0.43 N ATOM 1545 CA VAL B 38 -21.131 -7.874 -3.207 1.00 0.37 C ATOM 1546 C VAL B 38 -20.760 -9.292 -2.778 1.00 0.39 C ATOM 1547 O VAL B 38 -19.932 -9.947 -3.410 1.00 0.37 O ATOM 1548 CB VAL B 38 -20.487 -6.852 -2.245 1.00 0.36 C ATOM 1549 CG1 VAL B 38 -19.036 -7.194 -1.971 1.00 0.36 C ATOM 1550 CG2 VAL B 38 -20.607 -5.450 -2.814 1.00 0.38 C ATOM 0 H VAL B 38 -22.940 -7.062 -2.547 1.00 0.43 H new ATOM 0 HA VAL B 38 -20.749 -7.697 -4.213 1.00 0.37 H new ATOM 0 HB VAL B 38 -21.022 -6.894 -1.296 1.00 0.36 H new ATOM 0 HG11 VAL B 38 -18.611 -6.456 -1.291 1.00 0.36 H new ATOM 0 HG12 VAL B 38 -18.975 -8.183 -1.518 1.00 0.36 H new ATOM 0 HG13 VAL B 38 -18.478 -7.189 -2.907 1.00 0.36 H new ATOM 0 HG21 VAL B 38 -20.149 -4.738 -2.127 1.00 0.38 H new ATOM 0 HG22 VAL B 38 -20.098 -5.403 -3.777 1.00 0.38 H new ATOM 0 HG23 VAL B 38 -21.660 -5.200 -2.947 1.00 0.38 H new ATOM 1560 N GLU B 39 -21.399 -9.761 -1.713 1.00 0.45 N ATOM 1561 CA GLU B 39 -21.142 -11.102 -1.195 1.00 0.50 C ATOM 1562 C GLU B 39 -21.496 -12.170 -2.232 1.00 0.53 C ATOM 1563 O GLU B 39 -20.835 -13.209 -2.318 1.00 0.55 O ATOM 1564 CB GLU B 39 -21.925 -11.330 0.099 1.00 0.59 C ATOM 1565 CG GLU B 39 -21.436 -10.481 1.262 1.00 0.63 C ATOM 1566 CD GLU B 39 -21.855 -11.034 2.608 1.00 1.12 C ATOM 1567 OE1 GLU B 39 -21.126 -11.895 3.154 1.00 1.79 O ATOM 1568 OE2 GLU B 39 -22.911 -10.613 3.128 1.00 1.76 O ATOM 0 H GLU B 39 -22.099 -9.234 -1.190 1.00 0.45 H new ATOM 0 HA GLU B 39 -20.077 -11.185 -0.979 1.00 0.50 H new ATOM 0 HB2 GLU B 39 -22.978 -11.114 -0.080 1.00 0.59 H new ATOM 0 HB3 GLU B 39 -21.858 -12.382 0.374 1.00 0.59 H new ATOM 0 HG2 GLU B 39 -20.349 -10.413 1.225 1.00 0.63 H new ATOM 0 HG3 GLU B 39 -21.823 -9.468 1.154 1.00 0.63 H new ATOM 1575 N ALA B 40 -22.536 -11.908 -3.019 1.00 0.55 N ATOM 1576 CA ALA B 40 -22.964 -12.835 -4.056 1.00 0.61 C ATOM 1577 C ALA B 40 -22.019 -12.776 -5.249 1.00 0.53 C ATOM 1578 O ALA B 40 -21.714 -13.796 -5.866 1.00 0.55 O ATOM 1579 CB ALA B 40 -24.392 -12.524 -4.492 1.00 0.70 C ATOM 0 H ALA B 40 -23.097 -11.059 -2.956 1.00 0.55 H new ATOM 0 HA ALA B 40 -22.939 -13.845 -3.647 1.00 0.61 H new ATOM 0 HB1 ALA B 40 -24.697 -13.226 -5.268 1.00 0.70 H new ATOM 0 HB2 ALA B 40 -25.062 -12.615 -3.637 1.00 0.70 H new ATOM 0 HB3 ALA B 40 -24.440 -11.508 -4.883 1.00 0.70 H new ATOM 1585 N ALA B 41 -21.537 -11.573 -5.551 1.00 0.47 N ATOM 1586 CA ALA B 41 -20.623 -11.369 -6.668 1.00 0.43 C ATOM 1587 C ALA B 41 -19.315 -12.114 -6.449 1.00 0.38 C ATOM 1588 O ALA B 41 -18.663 -12.542 -7.403 1.00 0.39 O ATOM 1589 CB ALA B 41 -20.361 -9.883 -6.885 1.00 0.42 C ATOM 0 H ALA B 41 -21.766 -10.723 -5.035 1.00 0.47 H new ATOM 0 HA ALA B 41 -21.095 -11.772 -7.564 1.00 0.43 H new ATOM 0 HB1 ALA B 41 -19.676 -9.753 -7.723 1.00 0.42 H new ATOM 0 HB2 ALA B 41 -21.301 -9.376 -7.102 1.00 0.42 H new ATOM 0 HB3 ALA B 41 -19.918 -9.456 -5.985 1.00 0.42 H new ATOM 1595 N MET B 42 -18.952 -12.291 -5.185 1.00 0.38 N ATOM 1596 CA MET B 42 -17.729 -13.005 -4.830 1.00 0.40 C ATOM 1597 C MET B 42 -17.765 -14.429 -5.383 1.00 0.45 C ATOM 1598 O MET B 42 -16.726 -15.009 -5.708 1.00 0.52 O ATOM 1599 CB MET B 42 -17.558 -13.044 -3.311 1.00 0.44 C ATOM 1600 CG MET B 42 -17.285 -11.686 -2.685 1.00 0.41 C ATOM 1601 SD MET B 42 -17.084 -11.788 -0.899 1.00 0.51 S ATOM 1602 CE MET B 42 -16.939 -10.056 -0.474 1.00 0.46 C ATOM 0 H MET B 42 -19.487 -11.950 -4.386 1.00 0.38 H new ATOM 0 HA MET B 42 -16.883 -12.476 -5.269 1.00 0.40 H new ATOM 0 HB2 MET B 42 -18.460 -13.464 -2.865 1.00 0.44 H new ATOM 0 HB3 MET B 42 -16.737 -13.718 -3.065 1.00 0.44 H new ATOM 0 HG2 MET B 42 -16.385 -11.259 -3.126 1.00 0.41 H new ATOM 0 HG3 MET B 42 -18.106 -11.009 -2.918 1.00 0.41 H new ATOM 0 HE1 MET B 42 -16.177 -9.933 0.296 1.00 0.46 H new ATOM 0 HE2 MET B 42 -16.656 -9.487 -1.359 1.00 0.46 H new ATOM 0 HE3 MET B 42 -17.896 -9.692 -0.099 1.00 0.46 H new ATOM 1612 N ALA B 43 -18.978 -14.958 -5.525 1.00 0.46 N ATOM 1613 CA ALA B 43 -19.180 -16.314 -6.027 1.00 0.53 C ATOM 1614 C ALA B 43 -19.290 -16.341 -7.548 1.00 0.55 C ATOM 1615 O ALA B 43 -19.197 -17.403 -8.166 1.00 0.62 O ATOM 1616 CB ALA B 43 -20.427 -16.917 -5.405 1.00 0.61 C ATOM 0 H ALA B 43 -19.841 -14.464 -5.298 1.00 0.46 H new ATOM 0 HA ALA B 43 -18.309 -16.907 -5.746 1.00 0.53 H new ATOM 0 HB1 ALA B 43 -20.570 -17.929 -5.785 1.00 0.61 H new ATOM 0 HB2 ALA B 43 -20.314 -16.949 -4.321 1.00 0.61 H new ATOM 0 HB3 ALA B 43 -21.293 -16.307 -5.662 1.00 0.61 H new ATOM 1622 N GLU B 44 -19.496 -15.175 -8.145 1.00 0.54 N ATOM 1623 CA GLU B 44 -19.623 -15.069 -9.593 1.00 0.58 C ATOM 1624 C GLU B 44 -18.258 -14.892 -10.235 1.00 0.59 C ATOM 1625 O GLU B 44 -17.927 -15.558 -11.220 1.00 0.68 O ATOM 1626 CB GLU B 44 -20.526 -13.897 -9.968 1.00 0.58 C ATOM 1627 CG GLU B 44 -21.823 -13.860 -9.185 1.00 0.63 C ATOM 1628 CD GLU B 44 -22.887 -14.766 -9.766 1.00 0.84 C ATOM 1629 OE1 GLU B 44 -22.548 -15.673 -10.559 1.00 1.29 O ATOM 1630 OE2 GLU B 44 -24.078 -14.564 -9.443 1.00 1.55 O ATOM 0 H GLU B 44 -19.579 -14.288 -7.649 1.00 0.54 H new ATOM 0 HA GLU B 44 -20.071 -15.991 -9.962 1.00 0.58 H new ATOM 0 HB2 GLU B 44 -19.985 -12.965 -9.805 1.00 0.58 H new ATOM 0 HB3 GLU B 44 -20.755 -13.950 -11.032 1.00 0.58 H new ATOM 0 HG2 GLU B 44 -21.627 -14.153 -8.153 1.00 0.63 H new ATOM 0 HG3 GLU B 44 -22.198 -12.837 -9.160 1.00 0.63 H new ATOM 1637 N LEU B 45 -17.471 -13.983 -9.677 1.00 0.52 N ATOM 1638 CA LEU B 45 -16.134 -13.715 -10.191 1.00 0.55 C ATOM 1639 C LEU B 45 -15.148 -14.773 -9.724 1.00 0.55 C ATOM 1640 O LEU B 45 -14.135 -15.006 -10.378 1.00 0.63 O ATOM 1641 CB LEU B 45 -15.607 -12.355 -9.708 1.00 0.51 C ATOM 1642 CG LEU B 45 -16.256 -11.103 -10.298 1.00 0.60 C ATOM 1643 CD1 LEU B 45 -16.790 -11.361 -11.694 1.00 0.97 C ATOM 1644 CD2 LEU B 45 -17.353 -10.599 -9.381 1.00 0.99 C ATOM 0 H LEU B 45 -17.734 -13.419 -8.869 1.00 0.52 H new ATOM 0 HA LEU B 45 -16.217 -13.721 -11.278 1.00 0.55 H new ATOM 0 HB2 LEU B 45 -15.720 -12.315 -8.625 1.00 0.51 H new ATOM 0 HB3 LEU B 45 -14.538 -12.313 -9.919 1.00 0.51 H new ATOM 0 HG LEU B 45 -15.491 -10.331 -10.381 1.00 0.60 H new ATOM 0 HD11 LEU B 45 -17.245 -10.450 -12.084 1.00 0.97 H new ATOM 0 HD12 LEU B 45 -15.971 -11.666 -12.346 1.00 0.97 H new ATOM 0 HD13 LEU B 45 -17.538 -12.153 -11.657 1.00 0.97 H new ATOM 0 HD21 LEU B 45 -17.807 -9.707 -9.813 1.00 0.99 H new ATOM 0 HD22 LEU B 45 -18.112 -11.372 -9.263 1.00 0.99 H new ATOM 0 HD23 LEU B 45 -16.929 -10.355 -8.407 1.00 0.99 H new ATOM 1656 N ASN B 46 -15.478 -15.412 -8.594 1.00 0.53 N ATOM 1657 CA ASN B 46 -14.607 -16.399 -7.956 1.00 0.59 C ATOM 1658 C ASN B 46 -13.510 -15.623 -7.245 1.00 0.54 C ATOM 1659 O ASN B 46 -12.320 -15.785 -7.509 1.00 0.59 O ATOM 1660 CB ASN B 46 -14.021 -17.403 -8.961 1.00 0.71 C ATOM 1661 CG ASN B 46 -13.121 -18.437 -8.306 1.00 1.02 C ATOM 1662 OD1 ASN B 46 -13.405 -18.925 -7.211 1.00 1.77 O ATOM 1663 ND2 ASN B 46 -12.020 -18.756 -8.967 1.00 1.40 N ATOM 0 H ASN B 46 -16.356 -15.257 -8.099 1.00 0.53 H new ATOM 0 HA ASN B 46 -15.181 -17.001 -7.252 1.00 0.59 H new ATOM 0 HB2 ASN B 46 -14.836 -17.912 -9.476 1.00 0.71 H new ATOM 0 HB3 ASN B 46 -13.454 -16.862 -9.718 1.00 0.71 H new ATOM 0 HD21 ASN B 46 -11.366 -19.432 -8.572 1.00 1.40 H new ATOM 0 HD22 ASN B 46 -11.826 -18.326 -9.871 1.00 1.40 H new ATOM 1670 N TYR B 47 -13.958 -14.743 -6.352 1.00 0.48 N ATOM 1671 CA TYR B 47 -13.084 -13.862 -5.588 1.00 0.46 C ATOM 1672 C TYR B 47 -12.034 -14.627 -4.793 1.00 0.52 C ATOM 1673 O TYR B 47 -12.352 -15.392 -3.877 1.00 0.58 O ATOM 1674 CB TYR B 47 -13.928 -12.979 -4.650 1.00 0.43 C ATOM 1675 CG TYR B 47 -13.137 -11.975 -3.821 1.00 0.42 C ATOM 1676 CD1 TYR B 47 -11.832 -11.631 -4.145 1.00 1.31 C ATOM 1677 CD2 TYR B 47 -13.711 -11.373 -2.708 1.00 1.20 C ATOM 1678 CE1 TYR B 47 -11.118 -10.725 -3.383 1.00 1.33 C ATOM 1679 CE2 TYR B 47 -13.005 -10.461 -1.944 1.00 1.21 C ATOM 1680 CZ TYR B 47 -11.708 -10.141 -2.284 1.00 0.46 C ATOM 1681 OH TYR B 47 -10.994 -9.245 -1.512 1.00 0.51 O ATOM 0 H TYR B 47 -14.948 -14.622 -6.138 1.00 0.48 H new ATOM 0 HA TYR B 47 -12.546 -13.236 -6.300 1.00 0.46 H new ATOM 0 HB2 TYR B 47 -14.660 -12.436 -5.248 1.00 0.43 H new ATOM 0 HB3 TYR B 47 -14.487 -13.625 -3.973 1.00 0.43 H new ATOM 0 HD1 TYR B 47 -11.365 -12.080 -5.009 1.00 1.31 H new ATOM 0 HD2 TYR B 47 -14.726 -11.621 -2.435 1.00 1.20 H new ATOM 0 HE1 TYR B 47 -10.101 -10.476 -3.649 1.00 1.33 H new ATOM 0 HE2 TYR B 47 -13.469 -10.001 -1.084 1.00 1.21 H new ATOM 0 HH TYR B 47 -10.195 -8.957 -2.000 1.00 0.51 H new ATOM 1691 N ILE B 48 -10.783 -14.409 -5.179 1.00 0.56 N ATOM 1692 CA ILE B 48 -9.637 -14.998 -4.508 1.00 0.64 C ATOM 1693 C ILE B 48 -8.856 -13.869 -3.845 1.00 0.59 C ATOM 1694 O ILE B 48 -8.027 -13.226 -4.489 1.00 0.58 O ATOM 1695 CB ILE B 48 -8.712 -15.756 -5.487 1.00 0.73 C ATOM 1696 CG1 ILE B 48 -9.502 -16.784 -6.306 1.00 0.83 C ATOM 1697 CG2 ILE B 48 -7.582 -16.436 -4.728 1.00 0.84 C ATOM 1698 CD1 ILE B 48 -10.186 -17.846 -5.469 1.00 1.28 C ATOM 0 H ILE B 48 -10.536 -13.815 -5.971 1.00 0.56 H new ATOM 0 HA ILE B 48 -9.993 -15.724 -3.777 1.00 0.64 H new ATOM 0 HB ILE B 48 -8.283 -15.031 -6.179 1.00 0.73 H new ATOM 0 HG12 ILE B 48 -10.254 -16.262 -6.897 1.00 0.83 H new ATOM 0 HG13 ILE B 48 -8.826 -17.270 -7.009 1.00 0.83 H new ATOM 0 HG21 ILE B 48 -6.939 -16.966 -5.431 1.00 0.84 H new ATOM 0 HG22 ILE B 48 -6.997 -15.685 -4.196 1.00 0.84 H new ATOM 0 HG23 ILE B 48 -7.999 -17.145 -4.013 1.00 0.84 H new ATOM 0 HD11 ILE B 48 -10.723 -18.534 -6.122 1.00 1.28 H new ATOM 0 HD12 ILE B 48 -9.438 -18.397 -4.898 1.00 1.28 H new ATOM 0 HD13 ILE B 48 -10.889 -17.372 -4.784 1.00 1.28 H new ATOM 1710 N PRO B 49 -9.140 -13.612 -2.554 1.00 0.62 N ATOM 1711 CA PRO B 49 -8.526 -12.530 -1.773 1.00 0.64 C ATOM 1712 C PRO B 49 -7.077 -12.230 -2.145 1.00 0.60 C ATOM 1713 O PRO B 49 -6.204 -13.095 -2.033 1.00 0.66 O ATOM 1714 CB PRO B 49 -8.630 -13.068 -0.350 1.00 0.80 C ATOM 1715 CG PRO B 49 -9.920 -13.813 -0.344 1.00 0.83 C ATOM 1716 CD PRO B 49 -10.070 -14.405 -1.725 1.00 0.72 C ATOM 0 HA PRO B 49 -9.022 -11.574 -1.942 1.00 0.64 H new ATOM 0 HB2 PRO B 49 -7.791 -13.720 -0.107 1.00 0.80 H new ATOM 0 HB3 PRO B 49 -8.631 -12.262 0.383 1.00 0.80 H new ATOM 0 HG2 PRO B 49 -9.915 -14.594 0.416 1.00 0.83 H new ATOM 0 HG3 PRO B 49 -10.752 -13.148 -0.113 1.00 0.83 H new ATOM 0 HD2 PRO B 49 -9.811 -15.464 -1.736 1.00 0.72 H new ATOM 0 HD3 PRO B 49 -11.095 -14.323 -2.085 1.00 0.72 H new ATOM 1724 N ASN B 50 -6.842 -10.995 -2.602 1.00 0.57 N ATOM 1725 CA ASN B 50 -5.505 -10.541 -2.990 1.00 0.58 C ATOM 1726 C ASN B 50 -4.664 -10.312 -1.736 1.00 0.60 C ATOM 1727 O ASN B 50 -4.259 -9.190 -1.437 1.00 0.71 O ATOM 1728 CB ASN B 50 -5.589 -9.247 -3.817 1.00 0.74 C ATOM 1729 CG ASN B 50 -4.395 -9.055 -4.740 1.00 0.87 C ATOM 1730 OD1 ASN B 50 -3.327 -9.631 -4.528 1.00 1.64 O ATOM 1731 ND2 ASN B 50 -4.561 -8.223 -5.762 1.00 0.68 N ATOM 0 H ASN B 50 -7.569 -10.288 -2.712 1.00 0.57 H new ATOM 0 HA ASN B 50 -5.036 -11.307 -3.607 1.00 0.58 H new ATOM 0 HB2 ASN B 50 -6.503 -9.260 -4.411 1.00 0.74 H new ATOM 0 HB3 ASN B 50 -5.661 -8.394 -3.142 1.00 0.74 H new ATOM 0 HD21 ASN B 50 -3.789 -8.043 -6.404 1.00 0.68 H new ATOM 0 HD22 ASN B 50 -5.461 -7.764 -5.905 1.00 0.68 H new ATOM 1738 N ARG B 51 -4.415 -11.405 -1.025 1.00 0.72 N ATOM 1739 CA ARG B 51 -3.660 -11.414 0.225 1.00 0.84 C ATOM 1740 C ARG B 51 -2.326 -10.692 0.118 1.00 0.76 C ATOM 1741 O ARG B 51 -1.867 -10.101 1.088 1.00 0.85 O ATOM 1742 CB ARG B 51 -3.430 -12.852 0.680 1.00 1.06 C ATOM 1743 CG ARG B 51 -4.702 -13.555 1.102 1.00 1.68 C ATOM 1744 CD ARG B 51 -4.520 -15.058 1.104 1.00 2.18 C ATOM 1745 NE ARG B 51 -4.288 -15.586 -0.240 1.00 2.97 N ATOM 1746 CZ ARG B 51 -4.995 -16.577 -0.778 1.00 3.81 C ATOM 1747 NH1 ARG B 51 -5.970 -17.158 -0.087 1.00 4.03 N ATOM 1748 NH2 ARG B 51 -4.738 -16.980 -2.012 1.00 4.76 N ATOM 0 H ARG B 51 -4.739 -12.330 -1.306 1.00 0.72 H new ATOM 0 HA ARG B 51 -4.258 -10.874 0.960 1.00 0.84 H new ATOM 0 HB2 ARG B 51 -2.965 -13.413 -0.131 1.00 1.06 H new ATOM 0 HB3 ARG B 51 -2.728 -12.854 1.513 1.00 1.06 H new ATOM 0 HG2 ARG B 51 -4.993 -13.220 2.097 1.00 1.68 H new ATOM 0 HG3 ARG B 51 -5.512 -13.285 0.425 1.00 1.68 H new ATOM 0 HD2 ARG B 51 -3.679 -15.320 1.746 1.00 2.18 H new ATOM 0 HD3 ARG B 51 -5.406 -15.529 1.530 1.00 2.18 H new ATOM 0 HE ARG B 51 -3.541 -15.171 -0.797 1.00 2.97 H new ATOM 0 HH11 ARG B 51 -6.180 -16.845 0.861 1.00 4.03 H new ATOM 0 HH12 ARG B 51 -6.509 -17.917 -0.504 1.00 4.03 H new ATOM 0 HH21 ARG B 51 -3.998 -16.531 -2.551 1.00 4.76 H new ATOM 0 HH22 ARG B 51 -5.280 -17.740 -2.424 1.00 4.76 H new ATOM 1762 N CYS B 52 -1.698 -10.746 -1.044 1.00 0.66 N ATOM 1763 CA CYS B 52 -0.419 -10.084 -1.238 1.00 0.62 C ATOM 1764 C CYS B 52 -0.534 -8.588 -0.961 1.00 0.58 C ATOM 1765 O CYS B 52 0.201 -8.037 -0.139 1.00 0.61 O ATOM 1766 CB CYS B 52 0.088 -10.314 -2.662 1.00 0.66 C ATOM 1767 SG CYS B 52 0.537 -12.045 -3.025 1.00 0.70 S ATOM 0 H CYS B 52 -2.051 -11.239 -1.864 1.00 0.66 H new ATOM 0 HA CYS B 52 0.294 -10.512 -0.534 1.00 0.62 H new ATOM 0 HB2 CYS B 52 -0.681 -9.995 -3.366 1.00 0.66 H new ATOM 0 HB3 CYS B 52 0.959 -9.681 -2.832 1.00 0.66 H new ATOM 1772 N ALA B 53 -1.481 -7.948 -1.629 1.00 0.54 N ATOM 1773 CA ALA B 53 -1.705 -6.521 -1.472 1.00 0.52 C ATOM 1774 C ALA B 53 -2.547 -6.225 -0.237 1.00 0.51 C ATOM 1775 O ALA B 53 -2.459 -5.142 0.332 1.00 0.52 O ATOM 1776 CB ALA B 53 -2.357 -5.973 -2.722 1.00 0.53 C ATOM 0 H ALA B 53 -2.112 -8.400 -2.291 1.00 0.54 H new ATOM 0 HA ALA B 53 -0.744 -6.028 -1.328 1.00 0.52 H new ATOM 0 HB1 ALA B 53 -2.525 -4.902 -2.605 1.00 0.53 H new ATOM 0 HB2 ALA B 53 -1.705 -6.146 -3.578 1.00 0.53 H new ATOM 0 HB3 ALA B 53 -3.311 -6.475 -2.885 1.00 0.53 H new ATOM 1782 N GLN B 54 -3.351 -7.200 0.181 1.00 0.52 N ATOM 1783 CA GLN B 54 -4.208 -7.037 1.352 1.00 0.53 C ATOM 1784 C GLN B 54 -3.394 -7.030 2.641 1.00 0.58 C ATOM 1785 O GLN B 54 -3.502 -6.092 3.434 1.00 0.65 O ATOM 1786 CB GLN B 54 -5.274 -8.130 1.407 1.00 0.54 C ATOM 1787 CG GLN B 54 -6.435 -7.889 0.458 1.00 0.48 C ATOM 1788 CD GLN B 54 -7.531 -8.924 0.603 1.00 0.76 C ATOM 1789 OE1 GLN B 54 -7.271 -10.090 0.896 1.00 1.49 O ATOM 1790 NE2 GLN B 54 -8.768 -8.507 0.396 1.00 0.64 N ATOM 0 H GLN B 54 -3.427 -8.110 -0.273 1.00 0.52 H new ATOM 0 HA GLN B 54 -4.705 -6.071 1.259 1.00 0.53 H new ATOM 0 HB2 GLN B 54 -4.813 -9.089 1.169 1.00 0.54 H new ATOM 0 HB3 GLN B 54 -5.656 -8.204 2.425 1.00 0.54 H new ATOM 0 HG2 GLN B 54 -6.850 -6.898 0.642 1.00 0.48 H new ATOM 0 HG3 GLN B 54 -6.068 -7.896 -0.568 1.00 0.48 H new ATOM 0 HE21 GLN B 54 -8.944 -7.532 0.155 1.00 0.64 H new ATOM 0 HE22 GLN B 54 -9.547 -9.161 0.478 1.00 0.64 H new ATOM 1799 N GLN B 55 -2.583 -8.073 2.853 1.00 0.57 N ATOM 1800 CA GLN B 55 -1.745 -8.158 4.053 1.00 0.62 C ATOM 1801 C GLN B 55 -0.849 -6.935 4.117 1.00 0.60 C ATOM 1802 O GLN B 55 -0.551 -6.408 5.191 1.00 0.66 O ATOM 1803 CB GLN B 55 -0.879 -9.427 4.041 1.00 0.65 C ATOM 1804 CG GLN B 55 -1.672 -10.719 4.133 1.00 1.19 C ATOM 1805 CD GLN B 55 -0.819 -11.945 3.866 1.00 1.78 C ATOM 1806 OE1 GLN B 55 -0.290 -12.564 4.789 1.00 2.38 O ATOM 1807 NE2 GLN B 55 -0.663 -12.287 2.596 1.00 2.52 N ATOM 0 H GLN B 55 -2.490 -8.863 2.215 1.00 0.57 H new ATOM 0 HA GLN B 55 -2.395 -8.200 4.927 1.00 0.62 H new ATOM 0 HB2 GLN B 55 -0.287 -9.441 3.126 1.00 0.65 H new ATOM 0 HB3 GLN B 55 -0.178 -9.383 4.874 1.00 0.65 H new ATOM 0 HG2 GLN B 55 -2.116 -10.799 5.125 1.00 1.19 H new ATOM 0 HG3 GLN B 55 -2.493 -10.689 3.417 1.00 1.19 H new ATOM 0 HE21 GLN B 55 -1.120 -11.746 1.862 1.00 2.52 H new ATOM 0 HE22 GLN B 55 -0.086 -13.092 2.352 1.00 2.52 H new ATOM 1816 N LEU B 56 -0.431 -6.504 2.939 1.00 0.54 N ATOM 1817 CA LEU B 56 0.404 -5.331 2.777 1.00 0.53 C ATOM 1818 C LEU B 56 -0.325 -4.080 3.222 1.00 0.55 C ATOM 1819 O LEU B 56 -0.007 -3.509 4.256 1.00 0.58 O ATOM 1820 CB LEU B 56 0.772 -5.203 1.307 1.00 0.48 C ATOM 1821 CG LEU B 56 2.000 -4.365 1.024 1.00 0.46 C ATOM 1822 CD1 LEU B 56 3.179 -4.909 1.789 1.00 0.45 C ATOM 1823 CD2 LEU B 56 2.290 -4.354 -0.457 1.00 0.46 C ATOM 0 H LEU B 56 -0.666 -6.965 2.060 1.00 0.54 H new ATOM 0 HA LEU B 56 1.297 -5.441 3.392 1.00 0.53 H new ATOM 0 HB2 LEU B 56 0.931 -6.202 0.900 1.00 0.48 H new ATOM 0 HB3 LEU B 56 -0.074 -4.772 0.773 1.00 0.48 H new ATOM 0 HG LEU B 56 1.816 -3.341 1.348 1.00 0.46 H new ATOM 0 HD11 LEU B 56 4.060 -4.301 1.581 1.00 0.45 H new ATOM 0 HD12 LEU B 56 2.964 -4.882 2.857 1.00 0.45 H new ATOM 0 HD13 LEU B 56 3.368 -5.938 1.483 1.00 0.45 H new ATOM 0 HD21 LEU B 56 3.175 -3.748 -0.650 1.00 0.46 H new ATOM 0 HD22 LEU B 56 2.466 -5.373 -0.801 1.00 0.46 H new ATOM 0 HD23 LEU B 56 1.439 -3.932 -0.991 1.00 0.46 H new ATOM 1835 N ALA B 57 -1.333 -3.706 2.436 1.00 0.56 N ATOM 1836 CA ALA B 57 -2.132 -2.507 2.664 1.00 0.59 C ATOM 1837 C ALA B 57 -2.622 -2.371 4.105 1.00 0.68 C ATOM 1838 O ALA B 57 -2.560 -1.283 4.684 1.00 1.02 O ATOM 1839 CB ALA B 57 -3.296 -2.495 1.697 1.00 0.55 C ATOM 0 H ALA B 57 -1.620 -4.235 1.613 1.00 0.56 H new ATOM 0 HA ALA B 57 -1.488 -1.645 2.488 1.00 0.59 H new ATOM 0 HB1 ALA B 57 -3.897 -1.601 1.862 1.00 0.55 H new ATOM 0 HB2 ALA B 57 -2.919 -2.495 0.674 1.00 0.55 H new ATOM 0 HB3 ALA B 57 -3.911 -3.381 1.857 1.00 0.55 H new