USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 974 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 46 ASN : amide:sc= -1.01! C(o=-1.2!,f=-3.3!) USER MOD Set 1.2: B 48 THR OG1 : rot 180:sc= -0.208 USER MOD Set 2.1: A 31 SER OG : rot 64:sc= 0.0226 USER MOD Set 2.2: B 31 SER OG : rot -146:sc= 0.0229 USER MOD Set 3.1: A 21 CYS SG : rot -35:sc= -5.23! USER MOD Set 3.2: B 21 CYS SG : rot -40:sc= -5.43! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=-0.044) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 LYS NZ :NH3+ 161:sc= -0.0822 (180deg=-0.657) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 44:sc= 0.317 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= -10.4! C(o=-10!,f=-30!) USER MOD Single : A 27 GLN : amide:sc= -0.274 K(o=-0.27,f=-1.8!) USER MOD Single : A 32 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.18) USER MOD Single : A 37 TYR OH : rot -122:sc= -1.95! USER MOD Single : A 38 CYS SG : rot 4:sc= -15.5! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 ASN : amide:sc= -1.68 K(o=-1.7,f=-4.3!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= -0.0555 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.228 F(o=-1.2,f=-0.23) USER MOD Single : A 58 ASN : amide:sc= 0.0582 K(o=0.058,f=-2.3!) USER MOD Single : B 1 MET CE :methyl 146:sc= 0 (180deg=-0.0267) USER MOD Single : B 1 MET N :NH3+ -154:sc= 0.858 (180deg=-0.115) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.82) USER MOD Single : B 6 TYR OH : rot 180:sc= 0 USER MOD Single : B 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 10 LYS NZ :NH3+ -119:sc= -0.765 (180deg=-2.38!) USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 THR OG1 : rot 49:sc= 0.267 USER MOD Single : B 16 SER OG : rot 180:sc= 0 USER MOD Single : B 23 ASN : amide:sc= -10.9! C(o=-11!,f=-30!) USER MOD Single : B 27 GLN : amide:sc= -0.254 K(o=-0.25,f=-1.9!) USER MOD Single : B 32 GLN : amide:sc= 0 X(o=0,f=-0.064) USER MOD Single : B 37 TYR OH : rot -125:sc= -2.19! USER MOD Single : B 38 CYS SG : rot 7:sc= -16! USER MOD Single : B 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 49 SER OG : rot 180:sc= 0 USER MOD Single : B 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 53 THR OG1 : rot 180:sc= -0.101 USER MOD Single : B 56 ASN :FLIP amide:sc= 0.466! C(o=-1.8!,f=0.47!) USER MOD Single : B 58 ASN :FLIP amide:sc= -0.114 F(o=-0.89,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -1.313 -19.972 -21.362 1.00 0.00 N ATOM 2 CA MET A 1 -1.056 -18.521 -21.591 1.00 0.00 C ATOM 3 C MET A 1 -2.021 -17.672 -20.759 1.00 0.00 C ATOM 4 O MET A 1 -3.222 -17.850 -20.810 1.00 0.00 O ATOM 5 CB MET A 1 -1.306 -18.303 -23.084 1.00 0.00 C ATOM 6 CG MET A 1 0.026 -18.057 -23.796 1.00 0.00 C ATOM 7 SD MET A 1 -0.289 -17.474 -25.480 1.00 0.00 S ATOM 8 CE MET A 1 0.526 -15.867 -25.320 1.00 0.00 C ATOM 0 H1 MET A 1 -0.651 -20.536 -21.933 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.178 -20.194 -20.355 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.289 -20.199 -21.639 1.00 0.00 H new ATOM 0 HA MET A 1 -0.046 -18.233 -21.299 1.00 0.00 H new ATOM 0 HB2 MET A 1 -1.803 -19.174 -23.511 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.971 -17.452 -23.231 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.613 -17.320 -23.248 1.00 0.00 H new ATOM 0 HG3 MET A 1 0.612 -18.976 -23.821 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.451 -15.326 -26.263 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.042 -15.291 -24.531 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.576 -16.015 -25.069 1.00 0.00 H new ATOM 20 N GLY A 2 -1.505 -16.751 -19.992 1.00 0.00 N ATOM 21 CA GLY A 2 -2.395 -15.892 -19.160 1.00 0.00 C ATOM 22 C GLY A 2 -2.935 -14.742 -20.012 1.00 0.00 C ATOM 23 O GLY A 2 -2.256 -14.247 -20.890 1.00 0.00 O ATOM 0 H GLY A 2 -0.508 -16.556 -19.905 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -3.220 -16.483 -18.762 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.844 -15.498 -18.306 1.00 0.00 H new ATOM 27 N PRO A 3 -4.147 -14.355 -19.721 1.00 0.00 N ATOM 28 CA PRO A 3 -4.796 -13.249 -20.469 1.00 0.00 C ATOM 29 C PRO A 3 -4.191 -11.911 -20.042 1.00 0.00 C ATOM 30 O PRO A 3 -4.033 -11.003 -20.833 1.00 0.00 O ATOM 31 CB PRO A 3 -6.253 -13.328 -20.027 1.00 0.00 C ATOM 32 CG PRO A 3 -6.206 -13.973 -18.679 1.00 0.00 C ATOM 33 CD PRO A 3 -5.020 -14.902 -18.679 1.00 0.00 C ATOM 0 HA PRO A 3 -4.672 -13.328 -21.549 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -6.706 -12.338 -19.977 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -6.848 -13.915 -20.727 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -6.108 -13.222 -17.895 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -7.127 -14.522 -18.481 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -4.524 -14.917 -17.709 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -5.315 -15.927 -18.902 1.00 0.00 H new ATOM 41 N LEU A 4 -3.867 -11.790 -18.786 1.00 0.00 N ATOM 42 CA LEU A 4 -3.285 -10.521 -18.276 1.00 0.00 C ATOM 43 C LEU A 4 -2.436 -10.802 -17.036 1.00 0.00 C ATOM 44 O LEU A 4 -2.260 -11.937 -16.642 1.00 0.00 O ATOM 45 CB LEU A 4 -4.498 -9.673 -17.899 1.00 0.00 C ATOM 46 CG LEU A 4 -4.269 -8.226 -18.334 1.00 0.00 C ATOM 47 CD1 LEU A 4 -4.342 -8.134 -19.859 1.00 0.00 C ATOM 48 CD2 LEU A 4 -5.348 -7.331 -17.718 1.00 0.00 C ATOM 0 H LEU A 4 -3.982 -12.523 -18.086 1.00 0.00 H new ATOM 0 HA LEU A 4 -2.642 -10.029 -19.005 1.00 0.00 H new ATOM 0 HB2 LEU A 4 -5.394 -10.069 -18.377 1.00 0.00 H new ATOM 0 HB3 LEU A 4 -4.665 -9.717 -16.823 1.00 0.00 H new ATOM 0 HG LEU A 4 -3.286 -7.897 -17.996 1.00 0.00 H new ATOM 0 HD11 LEU A 4 -4.179 -7.102 -20.169 1.00 0.00 H new ATOM 0 HD12 LEU A 4 -3.575 -8.771 -20.299 1.00 0.00 H new ATOM 0 HD13 LEU A 4 -5.325 -8.463 -20.197 1.00 0.00 H new ATOM 0 HD21 LEU A 4 -5.185 -6.299 -18.028 1.00 0.00 H new ATOM 0 HD22 LEU A 4 -6.331 -7.661 -18.056 1.00 0.00 H new ATOM 0 HD23 LEU A 4 -5.297 -7.396 -16.631 1.00 0.00 H new ATOM 60 N GLN A 5 -1.924 -9.782 -16.404 1.00 0.00 N ATOM 61 CA GLN A 5 -1.111 -10.015 -15.179 1.00 0.00 C ATOM 62 C GLN A 5 -1.848 -11.004 -14.275 1.00 0.00 C ATOM 63 O GLN A 5 -1.254 -11.707 -13.483 1.00 0.00 O ATOM 64 CB GLN A 5 -0.997 -8.646 -14.506 1.00 0.00 C ATOM 65 CG GLN A 5 0.478 -8.309 -14.270 1.00 0.00 C ATOM 66 CD GLN A 5 0.623 -6.813 -13.984 1.00 0.00 C ATOM 67 OE1 GLN A 5 0.293 -5.989 -14.815 1.00 0.00 O ATOM 68 NE2 GLN A 5 1.107 -6.422 -12.836 1.00 0.00 N ATOM 0 H GLN A 5 -2.032 -8.806 -16.680 1.00 0.00 H new ATOM 0 HA GLN A 5 -0.127 -10.433 -15.394 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -1.459 -7.883 -15.132 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -1.535 -8.650 -13.558 1.00 0.00 H new ATOM 0 HG2 GLN A 5 0.864 -8.889 -13.432 1.00 0.00 H new ATOM 0 HG3 GLN A 5 1.068 -8.581 -15.145 1.00 0.00 H new ATOM 0 HE21 GLN A 5 1.384 -7.112 -12.138 1.00 0.00 H new ATOM 0 HE22 GLN A 5 1.208 -5.427 -12.637 1.00 0.00 H new ATOM 77 N TYR A 6 -3.148 -11.060 -14.399 1.00 0.00 N ATOM 78 CA TYR A 6 -3.946 -12.000 -13.564 1.00 0.00 C ATOM 79 C TYR A 6 -3.475 -11.950 -12.108 1.00 0.00 C ATOM 80 O TYR A 6 -2.605 -12.694 -11.700 1.00 0.00 O ATOM 81 CB TYR A 6 -3.692 -13.381 -14.167 1.00 0.00 C ATOM 82 CG TYR A 6 -4.837 -14.301 -13.818 1.00 0.00 C ATOM 83 CD1 TYR A 6 -5.025 -14.708 -12.491 1.00 0.00 C ATOM 84 CD2 TYR A 6 -5.711 -14.746 -14.818 1.00 0.00 C ATOM 85 CE1 TYR A 6 -6.088 -15.559 -12.164 1.00 0.00 C ATOM 86 CE2 TYR A 6 -6.774 -15.599 -14.490 1.00 0.00 C ATOM 87 CZ TYR A 6 -6.961 -16.005 -13.164 1.00 0.00 C ATOM 88 OH TYR A 6 -8.008 -16.844 -12.840 1.00 0.00 O ATOM 0 H TYR A 6 -3.693 -10.491 -15.047 1.00 0.00 H new ATOM 0 HA TYR A 6 -5.006 -11.748 -13.559 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -3.590 -13.304 -15.250 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -2.755 -13.789 -13.787 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.350 -14.366 -11.720 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -5.566 -14.432 -15.841 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -6.235 -15.871 -11.141 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -7.448 -15.943 -15.260 1.00 0.00 H new ATOM 0 HH TYR A 6 -8.518 -17.058 -13.649 1.00 0.00 H new ATOM 98 N LYS A 7 -4.044 -11.078 -11.322 1.00 0.00 N ATOM 99 CA LYS A 7 -3.631 -10.977 -9.892 1.00 0.00 C ATOM 100 C LYS A 7 -4.656 -10.155 -9.109 1.00 0.00 C ATOM 101 O LYS A 7 -4.312 -9.235 -8.395 1.00 0.00 O ATOM 102 CB LYS A 7 -2.281 -10.262 -9.920 1.00 0.00 C ATOM 103 CG LYS A 7 -1.152 -11.292 -9.841 1.00 0.00 C ATOM 104 CD LYS A 7 -0.121 -10.841 -8.806 1.00 0.00 C ATOM 105 CE LYS A 7 1.093 -10.245 -9.520 1.00 0.00 C ATOM 106 NZ LYS A 7 0.582 -9.012 -10.181 1.00 0.00 N ATOM 0 H LYS A 7 -4.778 -10.430 -11.608 1.00 0.00 H new ATOM 0 HA LYS A 7 -3.565 -11.952 -9.409 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -2.188 -9.675 -10.834 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -2.210 -9.565 -9.085 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -1.554 -12.268 -9.568 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -0.679 -11.404 -10.816 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.561 -10.102 -8.137 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.185 -11.686 -8.190 1.00 0.00 H new ATOM 0 HE2 LYS A 7 1.891 -10.013 -8.815 1.00 0.00 H new ATOM 0 HE3 LYS A 7 1.504 -10.943 -10.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 1.380 -8.386 -10.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 0.079 -9.269 -11.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.070 -8.519 -9.539 1.00 0.00 H new ATOM 120 N ASP A 8 -5.914 -10.476 -9.239 1.00 0.00 N ATOM 121 CA ASP A 8 -6.955 -9.705 -8.503 1.00 0.00 C ATOM 122 C ASP A 8 -6.873 -8.225 -8.888 1.00 0.00 C ATOM 123 O ASP A 8 -6.726 -7.886 -10.045 1.00 0.00 O ATOM 124 CB ASP A 8 -6.620 -9.902 -7.022 1.00 0.00 C ATOM 125 CG ASP A 8 -6.283 -11.371 -6.762 1.00 0.00 C ATOM 126 OD1 ASP A 8 -6.658 -12.199 -7.577 1.00 0.00 O ATOM 127 OD2 ASP A 8 -5.655 -11.645 -5.752 1.00 0.00 O ATOM 0 H ASP A 8 -6.265 -11.236 -9.821 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.967 -10.039 -8.734 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -5.777 -9.270 -6.743 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -7.465 -9.598 -6.404 1.00 0.00 H new ATOM 132 N LEU A 9 -6.961 -7.341 -7.931 1.00 0.00 N ATOM 133 CA LEU A 9 -6.883 -5.888 -8.255 1.00 0.00 C ATOM 134 C LEU A 9 -5.585 -5.293 -7.700 1.00 0.00 C ATOM 135 O LEU A 9 -4.763 -5.992 -7.140 1.00 0.00 O ATOM 136 CB LEU A 9 -8.097 -5.262 -7.568 1.00 0.00 C ATOM 137 CG LEU A 9 -7.956 -5.405 -6.053 1.00 0.00 C ATOM 138 CD1 LEU A 9 -7.427 -4.098 -5.463 1.00 0.00 C ATOM 139 CD2 LEU A 9 -9.325 -5.724 -5.446 1.00 0.00 C ATOM 0 H LEU A 9 -7.083 -7.561 -6.943 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.884 -5.703 -9.329 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.178 -4.209 -7.838 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.011 -5.750 -7.906 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.259 -6.211 -5.826 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.327 -4.201 -4.383 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -6.454 -3.870 -5.898 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.123 -3.290 -5.687 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.229 -5.827 -4.365 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.021 -4.916 -5.673 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.701 -6.656 -5.867 1.00 0.00 H new ATOM 151 N LYS A 10 -5.392 -4.012 -7.853 1.00 0.00 N ATOM 152 CA LYS A 10 -4.143 -3.381 -7.335 1.00 0.00 C ATOM 153 C LYS A 10 -4.390 -1.912 -6.980 1.00 0.00 C ATOM 154 O LYS A 10 -3.472 -1.119 -6.913 1.00 0.00 O ATOM 155 CB LYS A 10 -3.140 -3.490 -8.483 1.00 0.00 C ATOM 156 CG LYS A 10 -3.778 -2.963 -9.769 1.00 0.00 C ATOM 157 CD LYS A 10 -3.011 -1.732 -10.253 1.00 0.00 C ATOM 158 CE LYS A 10 -1.712 -2.173 -10.929 1.00 0.00 C ATOM 159 NZ LYS A 10 -0.933 -0.918 -11.123 1.00 0.00 N ATOM 0 H LYS A 10 -6.043 -3.375 -8.313 1.00 0.00 H new ATOM 0 HA LYS A 10 -3.785 -3.868 -6.428 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -2.241 -2.919 -8.250 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -2.834 -4.528 -8.615 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.766 -3.737 -10.537 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.822 -2.707 -9.591 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -3.622 -1.162 -10.953 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -2.791 -1.074 -9.412 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -1.166 -2.884 -10.309 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -1.910 -2.666 -11.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.027 -1.139 -11.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.474 -0.263 -11.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -0.754 -0.475 -10.200 1.00 0.00 H new ATOM 173 N ILE A 11 -5.619 -1.540 -6.749 1.00 0.00 N ATOM 174 CA ILE A 11 -5.912 -0.120 -6.399 1.00 0.00 C ATOM 175 C ILE A 11 -6.872 -0.050 -5.210 1.00 0.00 C ATOM 176 O ILE A 11 -6.585 -0.543 -4.136 1.00 0.00 O ATOM 177 CB ILE A 11 -6.556 0.477 -7.649 1.00 0.00 C ATOM 178 CG1 ILE A 11 -7.651 -0.462 -8.161 1.00 0.00 C ATOM 179 CG2 ILE A 11 -5.505 0.667 -8.725 1.00 0.00 C ATOM 180 CD1 ILE A 11 -8.563 0.298 -9.125 1.00 0.00 C ATOM 0 H ILE A 11 -6.432 -2.155 -6.787 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.013 0.423 -6.108 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.995 1.443 -7.401 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -7.204 -1.319 -8.665 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -8.232 -0.852 -7.325 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -5.968 1.093 -9.615 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -4.730 1.341 -8.361 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -5.060 -0.297 -8.973 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -9.343 -0.370 -9.490 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -9.020 1.140 -8.606 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -7.977 0.666 -9.967 1.00 0.00 H new ATOM 192 N ASP A 12 -8.008 0.563 -5.391 1.00 0.00 N ATOM 193 CA ASP A 12 -8.985 0.677 -4.289 1.00 0.00 C ATOM 194 C ASP A 12 -8.294 1.120 -2.996 1.00 0.00 C ATOM 195 O ASP A 12 -8.157 2.296 -2.723 1.00 0.00 O ATOM 196 CB ASP A 12 -9.585 -0.721 -4.135 1.00 0.00 C ATOM 197 CG ASP A 12 -10.542 -0.998 -5.296 1.00 0.00 C ATOM 198 OD1 ASP A 12 -11.675 -0.553 -5.223 1.00 0.00 O ATOM 199 OD2 ASP A 12 -10.124 -1.650 -6.238 1.00 0.00 O ATOM 0 H ASP A 12 -8.299 0.993 -6.269 1.00 0.00 H new ATOM 0 HA ASP A 12 -9.751 1.423 -4.500 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -8.792 -1.469 -4.118 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -10.116 -0.798 -3.186 1.00 0.00 H new ATOM 204 N ILE A 13 -7.859 0.185 -2.194 1.00 0.00 N ATOM 205 CA ILE A 13 -7.183 0.548 -0.915 1.00 0.00 C ATOM 206 C ILE A 13 -5.795 1.141 -1.186 1.00 0.00 C ATOM 207 O ILE A 13 -5.139 0.798 -2.149 1.00 0.00 O ATOM 208 CB ILE A 13 -7.061 -0.767 -0.146 1.00 0.00 C ATOM 209 CG1 ILE A 13 -6.693 -0.472 1.311 1.00 0.00 C ATOM 210 CG2 ILE A 13 -5.973 -1.635 -0.783 1.00 0.00 C ATOM 211 CD1 ILE A 13 -7.936 0.008 2.062 1.00 0.00 C ATOM 0 H ILE A 13 -7.943 -0.816 -2.370 1.00 0.00 H new ATOM 0 HA ILE A 13 -7.741 1.301 -0.358 1.00 0.00 H new ATOM 0 HB ILE A 13 -8.012 -1.298 -0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.292 -1.368 1.785 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.913 0.288 1.354 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -5.887 -2.572 -0.233 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.236 -1.845 -1.820 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -5.020 -1.107 -0.750 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -7.676 0.218 3.099 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.317 0.915 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -8.702 -0.767 2.030 1.00 0.00 H new ATOM 223 N LYS A 14 -5.343 2.023 -0.335 1.00 0.00 N ATOM 224 CA LYS A 14 -3.996 2.634 -0.534 1.00 0.00 C ATOM 225 C LYS A 14 -3.016 2.074 0.502 1.00 0.00 C ATOM 226 O LYS A 14 -1.816 2.102 0.317 1.00 0.00 O ATOM 227 CB LYS A 14 -4.200 4.136 -0.323 1.00 0.00 C ATOM 228 CG LYS A 14 -2.965 4.896 -0.812 1.00 0.00 C ATOM 229 CD LYS A 14 -3.098 5.170 -2.311 1.00 0.00 C ATOM 230 CE LYS A 14 -2.020 6.165 -2.749 1.00 0.00 C ATOM 231 NZ LYS A 14 -1.171 5.413 -3.713 1.00 0.00 N ATOM 0 H LYS A 14 -5.848 2.347 0.490 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.584 2.419 -1.520 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.084 4.473 -0.864 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -4.374 4.345 0.733 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.863 5.835 -0.267 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -2.065 4.314 -0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -2.998 4.240 -2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.088 5.570 -2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.462 7.046 -3.215 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.436 6.514 -1.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -0.408 6.030 -4.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.759 4.584 -3.239 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.752 5.099 -4.516 1.00 0.00 H new ATOM 245 N THR A 15 -3.526 1.561 1.588 1.00 0.00 N ATOM 246 CA THR A 15 -2.639 0.990 2.639 1.00 0.00 C ATOM 247 C THR A 15 -2.631 -0.539 2.542 1.00 0.00 C ATOM 248 O THR A 15 -3.610 -1.187 2.852 1.00 0.00 O ATOM 249 CB THR A 15 -3.253 1.446 3.960 1.00 0.00 C ATOM 250 OG1 THR A 15 -4.662 1.268 3.915 1.00 0.00 O ATOM 251 CG2 THR A 15 -2.926 2.923 4.183 1.00 0.00 C ATOM 0 H THR A 15 -4.524 1.513 1.793 1.00 0.00 H new ATOM 0 HA THR A 15 -1.605 1.319 2.539 1.00 0.00 H new ATOM 0 HB THR A 15 -2.843 0.855 4.779 1.00 0.00 H new ATOM 0 HG1 THR A 15 -4.869 0.391 3.529 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.362 3.254 5.125 1.00 0.00 H new ATOM 0 HG22 THR A 15 -1.845 3.055 4.218 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.338 3.514 3.365 1.00 0.00 H new ATOM 259 N SER A 16 -1.541 -1.121 2.102 1.00 0.00 N ATOM 260 CA SER A 16 -1.490 -2.611 1.984 1.00 0.00 C ATOM 261 C SER A 16 -1.684 -3.246 3.399 1.00 0.00 C ATOM 262 O SER A 16 -2.703 -2.960 3.993 1.00 0.00 O ATOM 263 CB SER A 16 -0.158 -2.901 1.290 1.00 0.00 C ATOM 264 OG SER A 16 -0.161 -2.282 0.009 1.00 0.00 O ATOM 0 H SER A 16 -0.691 -0.632 1.822 1.00 0.00 H new ATOM 0 HA SER A 16 -2.287 -3.059 1.391 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.670 -2.522 1.890 1.00 0.00 H new ATOM 0 HB3 SER A 16 -0.012 -3.976 1.189 1.00 0.00 H new ATOM 0 HG SER A 16 0.690 -2.461 -0.443 1.00 0.00 H new ATOM 270 N PRO A 17 -0.798 -4.084 3.965 1.00 0.00 N ATOM 271 CA PRO A 17 0.495 -4.578 3.451 1.00 0.00 C ATOM 272 C PRO A 17 0.396 -6.067 3.129 1.00 0.00 C ATOM 273 O PRO A 17 1.310 -6.811 3.427 1.00 0.00 O ATOM 274 CB PRO A 17 1.362 -4.473 4.702 1.00 0.00 C ATOM 275 CG PRO A 17 0.406 -4.565 5.854 1.00 0.00 C ATOM 276 CD PRO A 17 -0.963 -4.680 5.265 1.00 0.00 C ATOM 0 HA PRO A 17 0.840 -4.048 2.563 1.00 0.00 H new ATOM 0 HB2 PRO A 17 2.100 -5.275 4.738 1.00 0.00 H new ATOM 0 HB3 PRO A 17 1.912 -3.532 4.722 1.00 0.00 H new ATOM 0 HG2 PRO A 17 0.633 -5.429 6.478 1.00 0.00 H new ATOM 0 HG3 PRO A 17 0.481 -3.684 6.491 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -1.289 -5.718 5.196 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -1.706 -4.151 5.862 1.00 0.00 H new ATOM 284 N PRO A 18 -0.714 -6.490 2.599 1.00 0.00 N ATOM 285 CA PRO A 18 -0.889 -7.927 2.342 1.00 0.00 C ATOM 286 C PRO A 18 0.194 -8.479 1.395 1.00 0.00 C ATOM 287 O PRO A 18 0.666 -9.577 1.615 1.00 0.00 O ATOM 288 CB PRO A 18 -2.327 -8.025 1.838 1.00 0.00 C ATOM 289 CG PRO A 18 -2.646 -6.671 1.308 1.00 0.00 C ATOM 290 CD PRO A 18 -1.880 -5.708 2.173 1.00 0.00 C ATOM 0 HA PRO A 18 -0.752 -8.559 3.219 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.422 -8.784 1.062 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -3.008 -8.304 2.642 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -2.351 -6.579 0.263 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -3.717 -6.474 1.355 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -1.586 -4.816 1.619 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -2.473 -5.373 3.024 1.00 0.00 H new ATOM 298 N PRO A 19 0.631 -7.708 0.422 1.00 0.00 N ATOM 299 CA PRO A 19 1.739 -8.189 -0.435 1.00 0.00 C ATOM 300 C PRO A 19 3.010 -8.151 0.419 1.00 0.00 C ATOM 301 O PRO A 19 3.824 -7.262 0.294 1.00 0.00 O ATOM 302 CB PRO A 19 1.802 -7.167 -1.566 1.00 0.00 C ATOM 303 CG PRO A 19 1.206 -5.929 -0.985 1.00 0.00 C ATOM 304 CD PRO A 19 0.173 -6.374 0.017 1.00 0.00 C ATOM 0 HA PRO A 19 1.617 -9.199 -0.826 1.00 0.00 H new ATOM 0 HB2 PRO A 19 2.828 -6.998 -1.892 1.00 0.00 H new ATOM 0 HB3 PRO A 19 1.242 -7.505 -2.438 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.972 -5.319 -0.506 1.00 0.00 H new ATOM 0 HG3 PRO A 19 0.751 -5.316 -1.763 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.121 -5.694 0.867 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -0.823 -6.410 -0.424 1.00 0.00 H new ATOM 312 N GLU A 20 3.127 -9.082 1.329 1.00 0.00 N ATOM 313 CA GLU A 20 4.290 -9.120 2.278 1.00 0.00 C ATOM 314 C GLU A 20 5.658 -9.103 1.584 1.00 0.00 C ATOM 315 O GLU A 20 6.487 -9.943 1.847 1.00 0.00 O ATOM 316 CB GLU A 20 4.129 -10.433 3.051 1.00 0.00 C ATOM 317 CG GLU A 20 3.688 -11.556 2.106 1.00 0.00 C ATOM 318 CD GLU A 20 4.666 -12.727 2.219 1.00 0.00 C ATOM 319 OE1 GLU A 20 4.621 -13.416 3.225 1.00 0.00 O ATOM 320 OE2 GLU A 20 5.443 -12.916 1.297 1.00 0.00 O ATOM 0 H GLU A 20 2.453 -9.836 1.460 1.00 0.00 H new ATOM 0 HA GLU A 20 4.277 -8.230 2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 20 5.072 -10.700 3.529 1.00 0.00 H new ATOM 0 HB3 GLU A 20 3.394 -10.307 3.846 1.00 0.00 H new ATOM 0 HG2 GLU A 20 2.680 -11.884 2.359 1.00 0.00 H new ATOM 0 HG3 GLU A 20 3.657 -11.191 1.079 1.00 0.00 H new ATOM 327 N CYS A 21 5.940 -8.145 0.751 1.00 0.00 N ATOM 328 CA CYS A 21 7.306 -8.123 0.141 1.00 0.00 C ATOM 329 C CYS A 21 8.283 -7.486 1.133 1.00 0.00 C ATOM 330 O CYS A 21 9.442 -7.846 1.187 1.00 0.00 O ATOM 331 CB CYS A 21 7.285 -7.355 -1.204 1.00 0.00 C ATOM 332 SG CYS A 21 5.753 -6.416 -1.456 1.00 0.00 S ATOM 0 H CYS A 21 5.310 -7.395 0.469 1.00 0.00 H new ATOM 0 HA CYS A 21 7.633 -9.141 -0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 21 8.134 -6.672 -1.240 1.00 0.00 H new ATOM 0 HB3 CYS A 21 7.410 -8.063 -2.023 1.00 0.00 H new ATOM 0 HG CYS A 21 4.752 -7.076 -0.953 1.00 0.00 H new ATOM 338 N ILE A 22 7.821 -6.556 1.935 1.00 0.00 N ATOM 339 CA ILE A 22 8.733 -5.924 2.939 1.00 0.00 C ATOM 340 C ILE A 22 8.889 -6.839 4.137 1.00 0.00 C ATOM 341 O ILE A 22 9.973 -7.198 4.519 1.00 0.00 O ATOM 342 CB ILE A 22 8.061 -4.635 3.413 1.00 0.00 C ATOM 343 CG1 ILE A 22 7.725 -3.679 2.258 1.00 0.00 C ATOM 344 CG2 ILE A 22 9.006 -3.930 4.377 1.00 0.00 C ATOM 345 CD1 ILE A 22 8.344 -4.148 0.931 1.00 0.00 C ATOM 0 H ILE A 22 6.861 -6.210 1.938 1.00 0.00 H new ATOM 0 HA ILE A 22 9.710 -5.735 2.495 1.00 0.00 H new ATOM 0 HB ILE A 22 7.120 -4.906 3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.643 -3.607 2.149 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.089 -2.679 2.496 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.545 -3.006 4.728 1.00 0.00 H new ATOM 0 HG22 ILE A 22 9.209 -4.580 5.228 1.00 0.00 H new ATOM 0 HG23 ILE A 22 9.941 -3.698 3.866 1.00 0.00 H new ATOM 0 HD11 ILE A 22 8.083 -3.445 0.139 1.00 0.00 H new ATOM 0 HD12 ILE A 22 9.428 -4.195 1.032 1.00 0.00 H new ATOM 0 HD13 ILE A 22 7.960 -5.137 0.680 1.00 0.00 H new ATOM 357 N ASN A 23 7.812 -7.208 4.753 1.00 0.00 N ATOM 358 CA ASN A 23 7.949 -8.097 5.935 1.00 0.00 C ATOM 359 C ASN A 23 8.596 -9.413 5.499 1.00 0.00 C ATOM 360 O ASN A 23 9.606 -9.814 6.031 1.00 0.00 O ATOM 361 CB ASN A 23 6.541 -8.315 6.485 1.00 0.00 C ATOM 362 CG ASN A 23 5.721 -9.152 5.514 1.00 0.00 C ATOM 363 OD1 ASN A 23 5.795 -8.949 4.322 1.00 0.00 O ATOM 364 ND2 ASN A 23 4.941 -10.092 5.975 1.00 0.00 N ATOM 0 H ASN A 23 6.860 -6.942 4.500 1.00 0.00 H new ATOM 0 HA ASN A 23 8.583 -7.663 6.708 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.594 -8.815 7.452 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.054 -7.354 6.649 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.390 -10.659 5.331 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.882 -10.259 6.980 1.00 0.00 H new ATOM 371 N ASP A 24 8.082 -10.065 4.490 1.00 0.00 N ATOM 372 CA ASP A 24 8.741 -11.316 4.043 1.00 0.00 C ATOM 373 C ASP A 24 10.193 -10.992 3.775 1.00 0.00 C ATOM 374 O ASP A 24 11.058 -11.844 3.792 1.00 0.00 O ATOM 375 CB ASP A 24 8.034 -11.721 2.754 1.00 0.00 C ATOM 376 CG ASP A 24 8.443 -13.143 2.368 1.00 0.00 C ATOM 377 OD1 ASP A 24 9.024 -13.819 3.201 1.00 0.00 O ATOM 378 OD2 ASP A 24 8.168 -13.532 1.245 1.00 0.00 O ATOM 0 H ASP A 24 7.250 -9.789 3.968 1.00 0.00 H new ATOM 0 HA ASP A 24 8.688 -12.121 4.776 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.954 -11.666 2.888 1.00 0.00 H new ATOM 0 HB3 ASP A 24 8.292 -11.028 1.953 1.00 0.00 H new ATOM 383 N LEU A 25 10.460 -9.742 3.536 1.00 0.00 N ATOM 384 CA LEU A 25 11.839 -9.318 3.277 1.00 0.00 C ATOM 385 C LEU A 25 12.534 -9.023 4.579 1.00 0.00 C ATOM 386 O LEU A 25 13.536 -9.607 4.944 1.00 0.00 O ATOM 387 CB LEU A 25 11.708 -8.013 2.482 1.00 0.00 C ATOM 388 CG LEU A 25 12.893 -7.058 2.781 1.00 0.00 C ATOM 389 CD1 LEU A 25 13.862 -7.039 1.615 1.00 0.00 C ATOM 390 CD2 LEU A 25 12.365 -5.649 3.037 1.00 0.00 C ATOM 0 H LEU A 25 9.766 -8.995 3.511 1.00 0.00 H new ATOM 0 HA LEU A 25 12.409 -10.083 2.749 1.00 0.00 H new ATOM 0 HB2 LEU A 25 11.675 -8.235 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 25 10.768 -7.522 2.734 1.00 0.00 H new ATOM 0 HG LEU A 25 13.418 -7.415 3.667 1.00 0.00 H new ATOM 0 HD11 LEU A 25 14.688 -6.364 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.249 -8.044 1.447 1.00 0.00 H new ATOM 0 HD13 LEU A 25 13.346 -6.695 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 25 13.200 -4.980 3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 25 11.829 -5.296 2.156 1.00 0.00 H new ATOM 0 HD23 LEU A 25 11.688 -5.664 3.891 1.00 0.00 H new ATOM 402 N LEU A 26 12.028 -8.029 5.218 1.00 0.00 N ATOM 403 CA LEU A 26 12.628 -7.533 6.437 1.00 0.00 C ATOM 404 C LEU A 26 12.448 -8.506 7.594 1.00 0.00 C ATOM 405 O LEU A 26 13.044 -8.346 8.641 1.00 0.00 O ATOM 406 CB LEU A 26 11.895 -6.229 6.672 1.00 0.00 C ATOM 407 CG LEU A 26 12.136 -5.796 8.085 1.00 0.00 C ATOM 408 CD1 LEU A 26 13.620 -5.543 8.248 1.00 0.00 C ATOM 409 CD2 LEU A 26 11.355 -4.517 8.378 1.00 0.00 C ATOM 0 H LEU A 26 11.190 -7.528 4.924 1.00 0.00 H new ATOM 0 HA LEU A 26 13.708 -7.405 6.360 1.00 0.00 H new ATOM 0 HB2 LEU A 26 12.247 -5.466 5.977 1.00 0.00 H new ATOM 0 HB3 LEU A 26 10.828 -6.357 6.492 1.00 0.00 H new ATOM 0 HG LEU A 26 11.804 -6.568 8.780 1.00 0.00 H new ATOM 0 HD11 LEU A 26 13.825 -5.225 9.270 1.00 0.00 H new ATOM 0 HD12 LEU A 26 14.171 -6.459 8.035 1.00 0.00 H new ATOM 0 HD13 LEU A 26 13.934 -4.762 7.556 1.00 0.00 H new ATOM 0 HD21 LEU A 26 11.535 -4.208 9.408 1.00 0.00 H new ATOM 0 HD22 LEU A 26 11.681 -3.728 7.700 1.00 0.00 H new ATOM 0 HD23 LEU A 26 10.290 -4.700 8.235 1.00 0.00 H new ATOM 421 N GLN A 27 11.676 -9.534 7.414 1.00 0.00 N ATOM 422 CA GLN A 27 11.528 -10.509 8.498 1.00 0.00 C ATOM 423 C GLN A 27 12.863 -11.237 8.639 1.00 0.00 C ATOM 424 O GLN A 27 13.065 -12.032 9.536 1.00 0.00 O ATOM 425 CB GLN A 27 10.433 -11.450 8.017 1.00 0.00 C ATOM 426 CG GLN A 27 9.079 -10.768 8.188 1.00 0.00 C ATOM 427 CD GLN A 27 8.392 -11.248 9.460 1.00 0.00 C ATOM 428 OE1 GLN A 27 8.588 -12.367 9.893 1.00 0.00 O ATOM 429 NE2 GLN A 27 7.588 -10.434 10.079 1.00 0.00 N ATOM 0 H GLN A 27 11.147 -9.733 6.565 1.00 0.00 H new ATOM 0 HA GLN A 27 11.271 -10.077 9.465 1.00 0.00 H new ATOM 0 HB2 GLN A 27 10.594 -11.710 6.971 1.00 0.00 H new ATOM 0 HB3 GLN A 27 10.460 -12.380 8.585 1.00 0.00 H new ATOM 0 HG2 GLN A 27 9.213 -9.687 8.227 1.00 0.00 H new ATOM 0 HG3 GLN A 27 8.448 -10.980 7.325 1.00 0.00 H new ATOM 0 HE21 GLN A 27 7.428 -9.497 9.710 1.00 0.00 H new ATOM 0 HE22 GLN A 27 7.118 -10.733 10.933 1.00 0.00 H new ATOM 438 N ALA A 28 13.780 -10.975 7.727 1.00 0.00 N ATOM 439 CA ALA A 28 15.094 -11.651 7.776 1.00 0.00 C ATOM 440 C ALA A 28 16.264 -10.659 7.901 1.00 0.00 C ATOM 441 O ALA A 28 17.347 -11.054 8.284 1.00 0.00 O ATOM 442 CB ALA A 28 15.193 -12.397 6.448 1.00 0.00 C ATOM 0 H ALA A 28 13.660 -10.319 6.956 1.00 0.00 H new ATOM 0 HA ALA A 28 15.162 -12.301 8.648 1.00 0.00 H new ATOM 0 HB1 ALA A 28 16.143 -12.929 6.400 1.00 0.00 H new ATOM 0 HB2 ALA A 28 14.373 -13.111 6.369 1.00 0.00 H new ATOM 0 HB3 ALA A 28 15.134 -11.685 5.625 1.00 0.00 H new ATOM 448 N VAL A 29 16.108 -9.387 7.584 1.00 0.00 N ATOM 449 CA VAL A 29 17.295 -8.497 7.718 1.00 0.00 C ATOM 450 C VAL A 29 17.161 -7.608 8.939 1.00 0.00 C ATOM 451 O VAL A 29 17.947 -6.706 9.141 1.00 0.00 O ATOM 452 CB VAL A 29 17.397 -7.700 6.398 1.00 0.00 C ATOM 453 CG1 VAL A 29 16.008 -7.428 5.820 1.00 0.00 C ATOM 454 CG2 VAL A 29 18.113 -6.367 6.638 1.00 0.00 C ATOM 0 H VAL A 29 15.248 -8.950 7.254 1.00 0.00 H new ATOM 0 HA VAL A 29 18.214 -9.063 7.874 1.00 0.00 H new ATOM 0 HB VAL A 29 17.967 -8.298 5.687 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.104 -6.866 4.891 1.00 0.00 H new ATOM 0 HG12 VAL A 29 15.505 -8.374 5.621 1.00 0.00 H new ATOM 0 HG13 VAL A 29 15.423 -6.850 6.535 1.00 0.00 H new ATOM 0 HG21 VAL A 29 18.178 -5.815 5.700 1.00 0.00 H new ATOM 0 HG22 VAL A 29 17.554 -5.780 7.366 1.00 0.00 H new ATOM 0 HG23 VAL A 29 19.117 -6.556 7.018 1.00 0.00 H new ATOM 464 N ASP A 30 16.211 -7.882 9.786 1.00 0.00 N ATOM 465 CA ASP A 30 16.087 -7.063 11.015 1.00 0.00 C ATOM 466 C ASP A 30 16.210 -5.602 10.655 1.00 0.00 C ATOM 467 O ASP A 30 17.300 -5.074 10.563 1.00 0.00 O ATOM 468 CB ASP A 30 17.289 -7.479 11.843 1.00 0.00 C ATOM 469 CG ASP A 30 16.910 -8.635 12.771 1.00 0.00 C ATOM 470 OD1 ASP A 30 16.057 -9.418 12.390 1.00 0.00 O ATOM 471 OD2 ASP A 30 17.480 -8.716 13.847 1.00 0.00 O ATOM 0 H ASP A 30 15.524 -8.629 9.681 1.00 0.00 H new ATOM 0 HA ASP A 30 15.138 -7.203 11.533 1.00 0.00 H new ATOM 0 HB2 ASP A 30 18.106 -7.781 11.187 1.00 0.00 H new ATOM 0 HB3 ASP A 30 17.647 -6.633 12.430 1.00 0.00 H new ATOM 476 N SER A 31 15.140 -4.933 10.400 1.00 0.00 N ATOM 477 CA SER A 31 15.316 -3.541 9.992 1.00 0.00 C ATOM 478 C SER A 31 13.988 -2.796 10.069 1.00 0.00 C ATOM 479 O SER A 31 13.435 -2.374 9.073 1.00 0.00 O ATOM 480 CB SER A 31 15.829 -3.739 8.567 1.00 0.00 C ATOM 481 OG SER A 31 16.888 -2.838 8.315 1.00 0.00 O ATOM 0 H SER A 31 14.182 -5.278 10.454 1.00 0.00 H new ATOM 0 HA SER A 31 15.984 -2.937 10.606 1.00 0.00 H new ATOM 0 HB2 SER A 31 16.171 -4.765 8.432 1.00 0.00 H new ATOM 0 HB3 SER A 31 15.022 -3.576 7.853 1.00 0.00 H new ATOM 0 HG SER A 31 17.641 -3.045 8.907 1.00 0.00 H new ATOM 487 N GLN A 32 13.472 -2.639 11.257 1.00 0.00 N ATOM 488 CA GLN A 32 12.174 -1.936 11.420 1.00 0.00 C ATOM 489 C GLN A 32 12.180 -0.634 10.631 1.00 0.00 C ATOM 490 O GLN A 32 11.149 -0.104 10.301 1.00 0.00 O ATOM 491 CB GLN A 32 12.051 -1.666 12.918 1.00 0.00 C ATOM 492 CG GLN A 32 10.577 -1.684 13.314 1.00 0.00 C ATOM 493 CD GLN A 32 10.401 -2.540 14.562 1.00 0.00 C ATOM 494 OE1 GLN A 32 11.171 -2.441 15.497 1.00 0.00 O ATOM 495 NE2 GLN A 32 9.414 -3.384 14.618 1.00 0.00 N ATOM 0 H GLN A 32 13.897 -2.970 12.123 1.00 0.00 H new ATOM 0 HA GLN A 32 11.335 -2.524 11.049 1.00 0.00 H new ATOM 0 HB2 GLN A 32 12.600 -2.420 13.482 1.00 0.00 H new ATOM 0 HB3 GLN A 32 12.494 -0.700 13.163 1.00 0.00 H new ATOM 0 HG2 GLN A 32 10.227 -0.669 13.503 1.00 0.00 H new ATOM 0 HG3 GLN A 32 9.974 -2.082 12.498 1.00 0.00 H new ATOM 0 HE21 GLN A 32 8.768 -3.466 13.833 1.00 0.00 H new ATOM 0 HE22 GLN A 32 9.285 -3.964 15.447 1.00 0.00 H new ATOM 504 N GLU A 33 13.325 -0.119 10.297 1.00 0.00 N ATOM 505 CA GLU A 33 13.339 1.132 9.500 1.00 0.00 C ATOM 506 C GLU A 33 12.708 0.845 8.141 1.00 0.00 C ATOM 507 O GLU A 33 12.133 1.712 7.513 1.00 0.00 O ATOM 508 CB GLU A 33 14.808 1.505 9.356 1.00 0.00 C ATOM 509 CG GLU A 33 15.500 1.387 10.715 1.00 0.00 C ATOM 510 CD GLU A 33 16.516 2.518 10.871 1.00 0.00 C ATOM 511 OE1 GLU A 33 16.295 3.572 10.296 1.00 0.00 O ATOM 512 OE2 GLU A 33 17.499 2.314 11.565 1.00 0.00 O ATOM 0 H GLU A 33 14.239 -0.503 10.537 1.00 0.00 H new ATOM 0 HA GLU A 33 12.779 1.945 9.963 1.00 0.00 H new ATOM 0 HB2 GLU A 33 15.291 0.849 8.632 1.00 0.00 H new ATOM 0 HB3 GLU A 33 14.900 2.522 8.976 1.00 0.00 H new ATOM 0 HG2 GLU A 33 14.762 1.434 11.516 1.00 0.00 H new ATOM 0 HG3 GLU A 33 15.999 0.422 10.798 1.00 0.00 H new ATOM 519 N VAL A 34 12.789 -0.382 7.696 1.00 0.00 N ATOM 520 CA VAL A 34 12.170 -0.744 6.393 1.00 0.00 C ATOM 521 C VAL A 34 10.669 -0.970 6.612 1.00 0.00 C ATOM 522 O VAL A 34 9.849 -0.560 5.816 1.00 0.00 O ATOM 523 CB VAL A 34 12.913 -2.021 5.931 1.00 0.00 C ATOM 524 CG1 VAL A 34 11.925 -3.097 5.475 1.00 0.00 C ATOM 525 CG2 VAL A 34 13.820 -1.672 4.753 1.00 0.00 C ATOM 0 H VAL A 34 13.258 -1.147 8.181 1.00 0.00 H new ATOM 0 HA VAL A 34 12.258 0.029 5.629 1.00 0.00 H new ATOM 0 HB VAL A 34 13.493 -2.403 6.771 1.00 0.00 H new ATOM 0 HG11 VAL A 34 12.474 -3.983 5.156 1.00 0.00 H new ATOM 0 HG12 VAL A 34 11.264 -3.358 6.302 1.00 0.00 H new ATOM 0 HG13 VAL A 34 11.333 -2.718 4.642 1.00 0.00 H new ATOM 0 HG21 VAL A 34 14.347 -2.567 4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 34 13.217 -1.281 3.933 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.544 -0.918 5.062 1.00 0.00 H new ATOM 535 N ARG A 35 10.304 -1.583 7.704 1.00 0.00 N ATOM 536 CA ARG A 35 8.861 -1.785 7.990 1.00 0.00 C ATOM 537 C ARG A 35 8.293 -0.470 8.509 1.00 0.00 C ATOM 538 O ARG A 35 7.244 -0.019 8.093 1.00 0.00 O ATOM 539 CB ARG A 35 8.830 -2.833 9.079 1.00 0.00 C ATOM 540 CG ARG A 35 8.158 -4.103 8.567 1.00 0.00 C ATOM 541 CD ARG A 35 7.318 -4.695 9.690 1.00 0.00 C ATOM 542 NE ARG A 35 6.550 -5.805 9.064 1.00 0.00 N ATOM 543 CZ ARG A 35 5.986 -6.717 9.812 1.00 0.00 C ATOM 544 NH1 ARG A 35 6.152 -6.694 11.107 1.00 0.00 N ATOM 545 NH2 ARG A 35 5.255 -7.649 9.265 1.00 0.00 N ATOM 0 H ARG A 35 10.944 -1.951 8.408 1.00 0.00 H new ATOM 0 HA ARG A 35 8.281 -2.092 7.119 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.845 -3.057 9.408 1.00 0.00 H new ATOM 0 HB3 ARG A 35 8.291 -2.451 9.946 1.00 0.00 H new ATOM 0 HG2 ARG A 35 7.531 -3.878 7.704 1.00 0.00 H new ATOM 0 HG3 ARG A 35 8.908 -4.821 8.237 1.00 0.00 H new ATOM 0 HD2 ARG A 35 7.948 -5.061 10.501 1.00 0.00 H new ATOM 0 HD3 ARG A 35 6.650 -3.947 10.118 1.00 0.00 H new ATOM 0 HE ARG A 35 6.463 -5.855 8.049 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.722 -5.964 11.535 1.00 0.00 H new ATOM 0 HH12 ARG A 35 5.712 -7.406 11.690 1.00 0.00 H new ATOM 0 HH21 ARG A 35 5.123 -7.666 8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.815 -8.360 9.849 1.00 0.00 H new ATOM 559 N ASP A 36 9.017 0.174 9.389 1.00 0.00 N ATOM 560 CA ASP A 36 8.560 1.487 9.903 1.00 0.00 C ATOM 561 C ASP A 36 8.401 2.386 8.694 1.00 0.00 C ATOM 562 O ASP A 36 7.590 3.288 8.652 1.00 0.00 O ATOM 563 CB ASP A 36 9.689 1.991 10.808 1.00 0.00 C ATOM 564 CG ASP A 36 9.176 3.155 11.659 1.00 0.00 C ATOM 565 OD1 ASP A 36 8.313 2.921 12.489 1.00 0.00 O ATOM 566 OD2 ASP A 36 9.654 4.260 11.463 1.00 0.00 O ATOM 0 H ASP A 36 9.903 -0.158 9.770 1.00 0.00 H new ATOM 0 HA ASP A 36 7.621 1.451 10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 36 10.043 1.185 11.450 1.00 0.00 H new ATOM 0 HB3 ASP A 36 10.538 2.313 10.205 1.00 0.00 H new ATOM 571 N TYR A 37 9.166 2.083 7.688 1.00 0.00 N ATOM 572 CA TYR A 37 9.106 2.815 6.422 1.00 0.00 C ATOM 573 C TYR A 37 7.900 2.284 5.658 1.00 0.00 C ATOM 574 O TYR A 37 7.042 3.015 5.219 1.00 0.00 O ATOM 575 CB TYR A 37 10.416 2.448 5.728 1.00 0.00 C ATOM 576 CG TYR A 37 10.211 2.535 4.247 1.00 0.00 C ATOM 577 CD1 TYR A 37 9.587 1.474 3.593 1.00 0.00 C ATOM 578 CD2 TYR A 37 10.572 3.686 3.548 1.00 0.00 C ATOM 579 CE1 TYR A 37 9.322 1.554 2.237 1.00 0.00 C ATOM 580 CE2 TYR A 37 10.297 3.777 2.182 1.00 0.00 C ATOM 581 CZ TYR A 37 9.670 2.714 1.526 1.00 0.00 C ATOM 582 OH TYR A 37 9.388 2.816 0.178 1.00 0.00 O ATOM 0 H TYR A 37 9.852 1.328 7.704 1.00 0.00 H new ATOM 0 HA TYR A 37 9.000 3.896 6.512 1.00 0.00 H new ATOM 0 HB2 TYR A 37 11.212 3.124 6.040 1.00 0.00 H new ATOM 0 HB3 TYR A 37 10.724 1.441 6.009 1.00 0.00 H new ATOM 0 HD1 TYR A 37 9.310 0.588 4.145 1.00 0.00 H new ATOM 0 HD2 TYR A 37 11.061 4.502 4.060 1.00 0.00 H new ATOM 0 HE1 TYR A 37 8.849 0.727 1.727 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.568 4.667 1.634 1.00 0.00 H new ATOM 0 HH TYR A 37 10.218 2.971 -0.319 1.00 0.00 H new ATOM 592 N CYS A 38 7.833 0.994 5.529 1.00 0.00 N ATOM 593 CA CYS A 38 6.702 0.359 4.820 1.00 0.00 C ATOM 594 C CYS A 38 5.386 0.885 5.389 1.00 0.00 C ATOM 595 O CYS A 38 4.527 1.346 4.667 1.00 0.00 O ATOM 596 CB CYS A 38 6.904 -1.121 5.115 1.00 0.00 C ATOM 597 SG CYS A 38 5.883 -2.128 4.023 1.00 0.00 S ATOM 0 H CYS A 38 8.529 0.343 5.893 1.00 0.00 H new ATOM 0 HA CYS A 38 6.665 0.562 3.750 1.00 0.00 H new ATOM 0 HB2 CYS A 38 7.954 -1.384 4.985 1.00 0.00 H new ATOM 0 HB3 CYS A 38 6.649 -1.329 6.154 1.00 0.00 H new ATOM 0 HG CYS A 38 5.268 -1.360 3.173 1.00 0.00 H new ATOM 603 N GLU A 39 5.235 0.859 6.680 1.00 0.00 N ATOM 604 CA GLU A 39 3.995 1.406 7.280 1.00 0.00 C ATOM 605 C GLU A 39 4.055 2.925 7.184 1.00 0.00 C ATOM 606 O GLU A 39 3.072 3.609 7.391 1.00 0.00 O ATOM 607 CB GLU A 39 4.022 0.956 8.737 1.00 0.00 C ATOM 608 CG GLU A 39 5.366 1.351 9.344 1.00 0.00 C ATOM 609 CD GLU A 39 5.141 2.306 10.517 1.00 0.00 C ATOM 610 OE1 GLU A 39 4.827 3.457 10.267 1.00 0.00 O ATOM 611 OE2 GLU A 39 5.287 1.870 11.648 1.00 0.00 O ATOM 0 H GLU A 39 5.914 0.484 7.342 1.00 0.00 H new ATOM 0 HA GLU A 39 3.086 1.067 6.784 1.00 0.00 H new ATOM 0 HB2 GLU A 39 3.206 1.419 9.291 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.880 -0.123 8.802 1.00 0.00 H new ATOM 0 HG2 GLU A 39 5.898 0.462 9.683 1.00 0.00 H new ATOM 0 HG3 GLU A 39 5.991 1.828 8.589 1.00 0.00 H new ATOM 618 N LYS A 40 5.192 3.461 6.811 1.00 0.00 N ATOM 619 CA LYS A 40 5.277 4.925 6.642 1.00 0.00 C ATOM 620 C LYS A 40 4.824 5.188 5.229 1.00 0.00 C ATOM 621 O LYS A 40 4.218 6.191 4.903 1.00 0.00 O ATOM 622 CB LYS A 40 6.748 5.311 6.791 1.00 0.00 C ATOM 623 CG LYS A 40 6.910 6.794 6.463 1.00 0.00 C ATOM 624 CD LYS A 40 8.292 7.259 6.918 1.00 0.00 C ATOM 625 CE LYS A 40 9.005 7.959 5.759 1.00 0.00 C ATOM 626 NZ LYS A 40 10.186 8.625 6.377 1.00 0.00 N ATOM 0 H LYS A 40 6.051 2.945 6.620 1.00 0.00 H new ATOM 0 HA LYS A 40 4.678 5.484 7.361 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.088 5.111 7.807 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.365 4.709 6.124 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.792 6.957 5.392 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.135 7.376 6.961 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.198 7.939 7.764 1.00 0.00 H new ATOM 0 HD3 LYS A 40 8.880 6.407 7.258 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.310 7.245 4.995 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.352 8.685 5.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 10.725 9.127 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.865 9.304 7.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.794 7.909 6.824 1.00 0.00 H new ATOM 640 N LYS A 41 5.120 4.238 4.397 1.00 0.00 N ATOM 641 CA LYS A 41 4.738 4.311 2.984 1.00 0.00 C ATOM 642 C LYS A 41 3.248 4.163 2.902 1.00 0.00 C ATOM 643 O LYS A 41 2.519 5.008 2.419 1.00 0.00 O ATOM 644 CB LYS A 41 5.342 3.069 2.372 1.00 0.00 C ATOM 645 CG LYS A 41 6.837 2.969 2.577 1.00 0.00 C ATOM 646 CD LYS A 41 7.444 4.337 2.833 1.00 0.00 C ATOM 647 CE LYS A 41 7.654 5.037 1.498 1.00 0.00 C ATOM 648 NZ LYS A 41 7.894 6.467 1.838 1.00 0.00 N ATOM 0 H LYS A 41 5.627 3.391 4.655 1.00 0.00 H new ATOM 0 HA LYS A 41 5.056 5.236 2.503 1.00 0.00 H new ATOM 0 HB2 LYS A 41 4.863 2.190 2.803 1.00 0.00 H new ATOM 0 HB3 LYS A 41 5.127 3.057 1.303 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.049 2.310 3.419 1.00 0.00 H new ATOM 0 HG3 LYS A 41 7.299 2.521 1.697 1.00 0.00 H new ATOM 0 HD2 LYS A 41 6.787 4.929 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 41 8.393 4.236 3.360 1.00 0.00 H new ATOM 0 HE2 LYS A 41 8.502 4.613 0.960 1.00 0.00 H new ATOM 0 HE3 LYS A 41 6.781 4.927 0.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 8.047 7.011 0.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 7.068 6.847 2.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 8.735 6.543 2.445 1.00 0.00 H new ATOM 662 N GLY A 42 2.809 3.058 3.418 1.00 0.00 N ATOM 663 CA GLY A 42 1.374 2.766 3.447 1.00 0.00 C ATOM 664 C GLY A 42 1.066 1.306 3.115 1.00 0.00 C ATOM 665 O GLY A 42 0.272 1.002 2.252 1.00 0.00 O ATOM 0 H GLY A 42 3.402 2.336 3.827 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.979 3.002 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.861 3.413 2.736 1.00 0.00 H new ATOM 669 N TRP A 43 1.640 0.405 3.853 1.00 0.00 N ATOM 670 CA TRP A 43 1.318 -1.038 3.665 1.00 0.00 C ATOM 671 C TRP A 43 0.910 -1.479 5.009 1.00 0.00 C ATOM 672 O TRP A 43 -0.112 -2.091 5.250 1.00 0.00 O ATOM 673 CB TRP A 43 2.547 -1.875 3.334 1.00 0.00 C ATOM 674 CG TRP A 43 3.529 -1.194 2.466 1.00 0.00 C ATOM 675 CD1 TRP A 43 3.770 0.118 2.466 1.00 0.00 C ATOM 676 CD2 TRP A 43 4.474 -1.771 1.513 1.00 0.00 C ATOM 677 NE1 TRP A 43 4.746 0.382 1.589 1.00 0.00 N ATOM 678 CE2 TRP A 43 5.235 -0.720 0.984 1.00 0.00 C ATOM 679 CE3 TRP A 43 4.746 -3.070 1.058 1.00 0.00 C ATOM 680 CZ2 TRP A 43 6.233 -0.911 0.058 1.00 0.00 C ATOM 681 CZ3 TRP A 43 5.759 -3.284 0.114 1.00 0.00 C ATOM 682 CH2 TRP A 43 6.511 -2.205 -0.385 1.00 0.00 C ATOM 0 H TRP A 43 2.323 0.603 4.584 1.00 0.00 H new ATOM 0 HA TRP A 43 0.590 -1.154 2.862 1.00 0.00 H new ATOM 0 HB2 TRP A 43 3.038 -2.162 4.264 1.00 0.00 H new ATOM 0 HB3 TRP A 43 2.225 -2.795 2.847 1.00 0.00 H new ATOM 0 HD1 TRP A 43 3.260 0.849 3.075 1.00 0.00 H new ATOM 0 HE1 TRP A 43 5.087 1.324 1.397 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.174 -3.905 1.435 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.795 -0.070 -0.322 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.964 -4.286 -0.233 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.297 -2.377 -1.105 1.00 0.00 H new ATOM 693 N ILE A 44 1.758 -1.084 5.895 1.00 0.00 N ATOM 694 CA ILE A 44 1.601 -1.327 7.325 1.00 0.00 C ATOM 695 C ILE A 44 2.087 -2.709 7.697 1.00 0.00 C ATOM 696 O ILE A 44 1.802 -3.220 8.761 1.00 0.00 O ATOM 697 CB ILE A 44 0.131 -1.203 7.636 1.00 0.00 C ATOM 698 CG1 ILE A 44 -0.471 -0.018 6.888 1.00 0.00 C ATOM 699 CG2 ILE A 44 -0.011 -0.985 9.140 1.00 0.00 C ATOM 700 CD1 ILE A 44 -1.882 -0.387 6.434 1.00 0.00 C ATOM 0 H ILE A 44 2.607 -0.569 5.660 1.00 0.00 H new ATOM 0 HA ILE A 44 2.190 -0.609 7.895 1.00 0.00 H new ATOM 0 HB ILE A 44 -0.394 -2.106 7.325 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -0.500 0.860 7.533 1.00 0.00 H new ATOM 0 HG13 ILE A 44 0.147 0.239 6.028 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.066 -0.891 9.396 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.418 -1.834 9.673 1.00 0.00 H new ATOM 0 HG23 ILE A 44 0.514 -0.074 9.427 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -2.323 0.453 5.898 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.837 -1.255 5.776 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.494 -0.623 7.304 1.00 0.00 H new ATOM 712 N VAL A 45 2.790 -3.305 6.801 1.00 0.00 N ATOM 713 CA VAL A 45 3.316 -4.680 7.013 1.00 0.00 C ATOM 714 C VAL A 45 3.552 -4.961 8.500 1.00 0.00 C ATOM 715 O VAL A 45 4.513 -4.510 9.088 1.00 0.00 O ATOM 716 CB VAL A 45 4.628 -4.697 6.246 1.00 0.00 C ATOM 717 CG1 VAL A 45 4.348 -4.699 4.741 1.00 0.00 C ATOM 718 CG2 VAL A 45 5.458 -3.468 6.621 1.00 0.00 C ATOM 0 H VAL A 45 3.035 -2.893 5.901 1.00 0.00 H new ATOM 0 HA VAL A 45 2.619 -5.446 6.673 1.00 0.00 H new ATOM 0 HB VAL A 45 5.185 -5.597 6.504 1.00 0.00 H new ATOM 0 HG11 VAL A 45 5.292 -4.711 4.195 1.00 0.00 H new ATOM 0 HG12 VAL A 45 3.767 -5.583 4.480 1.00 0.00 H new ATOM 0 HG13 VAL A 45 3.786 -3.804 4.474 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.398 -3.482 6.070 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.904 -2.564 6.369 1.00 0.00 H new ATOM 0 HG23 VAL A 45 5.664 -3.481 7.691 1.00 0.00 H new ATOM 728 N ASN A 46 2.668 -5.699 9.111 1.00 0.00 N ATOM 729 CA ASN A 46 2.825 -6.011 10.558 1.00 0.00 C ATOM 730 C ASN A 46 1.791 -7.060 10.975 1.00 0.00 C ATOM 731 O ASN A 46 0.601 -6.852 10.855 1.00 0.00 O ATOM 732 CB ASN A 46 2.572 -4.686 11.278 1.00 0.00 C ATOM 733 CG ASN A 46 2.344 -4.943 12.768 1.00 0.00 C ATOM 734 OD1 ASN A 46 2.671 -6.000 13.272 1.00 0.00 O ATOM 735 ND2 ASN A 46 1.791 -4.014 13.498 1.00 0.00 N ATOM 0 H ASN A 46 1.841 -6.101 8.669 1.00 0.00 H new ATOM 0 HA ASN A 46 3.808 -6.417 10.796 1.00 0.00 H new ATOM 0 HB2 ASN A 46 3.423 -4.018 11.140 1.00 0.00 H new ATOM 0 HB3 ASN A 46 1.703 -4.188 10.848 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.633 -4.174 14.493 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.517 -3.128 13.074 1.00 0.00 H new ATOM 742 N ILE A 47 2.238 -8.188 11.455 1.00 0.00 N ATOM 743 CA ILE A 47 1.283 -9.256 11.870 1.00 0.00 C ATOM 744 C ILE A 47 0.079 -8.650 12.598 1.00 0.00 C ATOM 745 O ILE A 47 0.130 -8.370 13.778 1.00 0.00 O ATOM 746 CB ILE A 47 2.080 -10.156 12.813 1.00 0.00 C ATOM 747 CG1 ILE A 47 1.160 -11.239 13.382 1.00 0.00 C ATOM 748 CG2 ILE A 47 2.650 -9.318 13.959 1.00 0.00 C ATOM 749 CD1 ILE A 47 2.002 -12.321 14.060 1.00 0.00 C ATOM 0 H ILE A 47 3.224 -8.417 11.578 1.00 0.00 H new ATOM 0 HA ILE A 47 0.888 -9.805 11.015 1.00 0.00 H new ATOM 0 HB ILE A 47 2.897 -10.624 12.264 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.466 -10.801 14.099 1.00 0.00 H new ATOM 0 HG13 ILE A 47 0.560 -11.677 12.584 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.219 -9.960 14.632 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.305 -8.546 13.555 1.00 0.00 H new ATOM 0 HG23 ILE A 47 1.833 -8.850 14.508 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.346 -13.092 14.465 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.678 -12.766 13.330 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.582 -11.877 14.869 1.00 0.00 H new ATOM 761 N THR A 48 -1.006 -8.449 11.899 1.00 0.00 N ATOM 762 CA THR A 48 -2.217 -7.867 12.546 1.00 0.00 C ATOM 763 C THR A 48 -1.842 -6.636 13.376 1.00 0.00 C ATOM 764 O THR A 48 -1.527 -6.736 14.544 1.00 0.00 O ATOM 765 CB THR A 48 -2.751 -8.978 13.449 1.00 0.00 C ATOM 766 OG1 THR A 48 -2.707 -10.215 12.750 1.00 0.00 O ATOM 767 CG2 THR A 48 -4.193 -8.669 13.850 1.00 0.00 C ATOM 0 H THR A 48 -1.106 -8.663 10.907 1.00 0.00 H new ATOM 0 HA THR A 48 -2.956 -7.539 11.815 1.00 0.00 H new ATOM 0 HB THR A 48 -2.135 -9.043 14.346 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.047 -10.930 13.328 1.00 0.00 H new ATOM 0 HG21 THR A 48 -4.570 -9.464 14.494 1.00 0.00 H new ATOM 0 HG22 THR A 48 -4.226 -7.721 14.387 1.00 0.00 H new ATOM 0 HG23 THR A 48 -4.813 -8.602 12.956 1.00 0.00 H new ATOM 775 N SER A 49 -1.880 -5.474 12.781 1.00 0.00 N ATOM 776 CA SER A 49 -1.530 -4.238 13.538 1.00 0.00 C ATOM 777 C SER A 49 -2.740 -3.753 14.342 1.00 0.00 C ATOM 778 O SER A 49 -3.831 -3.623 13.821 1.00 0.00 O ATOM 779 CB SER A 49 -1.148 -3.214 12.470 1.00 0.00 C ATOM 780 OG SER A 49 -2.222 -2.299 12.290 1.00 0.00 O ATOM 0 H SER A 49 -2.138 -5.328 11.805 1.00 0.00 H new ATOM 0 HA SER A 49 -0.721 -4.403 14.250 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.246 -2.680 12.768 1.00 0.00 H new ATOM 0 HB3 SER A 49 -0.923 -3.718 11.530 1.00 0.00 H new ATOM 0 HG SER A 49 -1.979 -1.640 11.606 1.00 0.00 H new ATOM 786 N GLN A 50 -2.557 -3.487 15.606 1.00 0.00 N ATOM 787 CA GLN A 50 -3.698 -3.013 16.442 1.00 0.00 C ATOM 788 C GLN A 50 -4.425 -1.861 15.743 1.00 0.00 C ATOM 789 O GLN A 50 -4.061 -0.710 15.878 1.00 0.00 O ATOM 790 CB GLN A 50 -3.058 -2.530 17.744 1.00 0.00 C ATOM 791 CG GLN A 50 -4.134 -1.929 18.651 1.00 0.00 C ATOM 792 CD GLN A 50 -3.527 -0.799 19.486 1.00 0.00 C ATOM 793 OE1 GLN A 50 -3.974 0.329 19.418 1.00 0.00 O ATOM 794 NE2 GLN A 50 -2.521 -1.055 20.277 1.00 0.00 N ATOM 0 H GLN A 50 -1.667 -3.577 16.097 1.00 0.00 H new ATOM 0 HA GLN A 50 -4.437 -3.796 16.615 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.565 -3.361 18.249 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.291 -1.786 17.530 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -4.960 -1.548 18.050 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -4.544 -2.698 19.305 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -2.145 -2.002 20.334 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -2.110 -0.308 20.838 1.00 0.00 H new ATOM 803 N VAL A 51 -5.453 -2.163 14.997 1.00 0.00 N ATOM 804 CA VAL A 51 -6.203 -1.084 14.292 1.00 0.00 C ATOM 805 C VAL A 51 -6.820 -0.120 15.309 1.00 0.00 C ATOM 806 O VAL A 51 -7.089 -0.481 16.438 1.00 0.00 O ATOM 807 CB VAL A 51 -7.297 -1.808 13.507 1.00 0.00 C ATOM 808 CG1 VAL A 51 -7.921 -0.849 12.492 1.00 0.00 C ATOM 809 CG2 VAL A 51 -6.688 -3.002 12.768 1.00 0.00 C ATOM 0 H VAL A 51 -5.805 -3.108 14.845 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.560 -0.491 13.641 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.066 -2.157 14.197 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -8.701 -1.367 11.933 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -8.355 0.003 13.015 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.153 -0.498 11.803 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.467 -3.519 12.208 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.919 -2.650 12.080 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.244 -3.688 13.489 1.00 0.00 H new ATOM 819 N GLN A 52 -7.044 1.104 14.918 1.00 0.00 N ATOM 820 CA GLN A 52 -7.642 2.091 15.861 1.00 0.00 C ATOM 821 C GLN A 52 -9.107 1.741 16.134 1.00 0.00 C ATOM 822 O GLN A 52 -10.006 2.492 15.811 1.00 0.00 O ATOM 823 CB GLN A 52 -7.534 3.435 15.145 1.00 0.00 C ATOM 824 CG GLN A 52 -8.362 3.387 13.865 1.00 0.00 C ATOM 825 CD GLN A 52 -7.550 3.971 12.708 1.00 0.00 C ATOM 826 OE1 GLN A 52 -7.287 5.157 12.673 1.00 0.00 O ATOM 827 NE2 GLN A 52 -7.138 3.183 11.752 1.00 0.00 N ATOM 0 H GLN A 52 -6.839 1.464 13.986 1.00 0.00 H new ATOM 0 HA GLN A 52 -7.135 2.102 16.826 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.890 4.236 15.793 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.492 3.654 14.911 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.645 2.359 13.641 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -9.286 3.951 13.996 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -7.358 2.188 11.781 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -6.596 3.563 10.976 1.00 0.00 H new ATOM 836 N THR A 53 -9.354 0.606 16.727 1.00 0.00 N ATOM 837 CA THR A 53 -10.760 0.208 17.019 1.00 0.00 C ATOM 838 C THR A 53 -10.955 0.023 18.527 1.00 0.00 C ATOM 839 O THR A 53 -12.048 0.151 19.042 1.00 0.00 O ATOM 840 CB THR A 53 -10.954 -1.121 16.287 1.00 0.00 C ATOM 841 OG1 THR A 53 -10.483 -0.997 14.952 1.00 0.00 O ATOM 842 CG2 THR A 53 -12.440 -1.485 16.275 1.00 0.00 C ATOM 0 H THR A 53 -8.643 -0.063 17.022 1.00 0.00 H new ATOM 0 HA THR A 53 -11.479 0.961 16.696 1.00 0.00 H new ATOM 0 HB THR A 53 -10.394 -1.904 16.798 1.00 0.00 H new ATOM 0 HG1 THR A 53 -10.605 -1.848 14.482 1.00 0.00 H new ATOM 0 HG21 THR A 53 -12.578 -2.432 15.753 1.00 0.00 H new ATOM 0 HG22 THR A 53 -12.800 -1.579 17.300 1.00 0.00 H new ATOM 0 HG23 THR A 53 -13.002 -0.704 15.763 1.00 0.00 H new ATOM 850 N GLU A 54 -9.902 -0.277 19.237 1.00 0.00 N ATOM 851 CA GLU A 54 -10.028 -0.470 20.711 1.00 0.00 C ATOM 852 C GLU A 54 -10.972 -1.637 21.009 1.00 0.00 C ATOM 853 O GLU A 54 -11.630 -2.157 20.129 1.00 0.00 O ATOM 854 CB GLU A 54 -10.616 0.842 21.233 1.00 0.00 C ATOM 855 CG GLU A 54 -10.171 1.061 22.679 1.00 0.00 C ATOM 856 CD GLU A 54 -11.400 1.280 23.562 1.00 0.00 C ATOM 857 OE1 GLU A 54 -12.468 0.832 23.179 1.00 0.00 O ATOM 858 OE2 GLU A 54 -11.253 1.894 24.607 1.00 0.00 O ATOM 0 H GLU A 54 -8.961 -0.397 18.862 1.00 0.00 H new ATOM 0 HA GLU A 54 -9.073 -0.704 21.182 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -10.287 1.674 20.610 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -11.704 0.813 21.177 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.606 0.198 23.032 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.508 1.924 22.740 1.00 0.00 H new ATOM 865 N ARG A 55 -11.044 -2.055 22.243 1.00 0.00 N ATOM 866 CA ARG A 55 -11.946 -3.189 22.593 1.00 0.00 C ATOM 867 C ARG A 55 -13.298 -3.025 21.893 1.00 0.00 C ATOM 868 O ARG A 55 -13.625 -3.749 20.974 1.00 0.00 O ATOM 869 CB ARG A 55 -12.115 -3.109 24.109 1.00 0.00 C ATOM 870 CG ARG A 55 -11.965 -4.506 24.714 1.00 0.00 C ATOM 871 CD ARG A 55 -12.115 -4.421 26.235 1.00 0.00 C ATOM 872 NE ARG A 55 -10.775 -4.003 26.730 1.00 0.00 N ATOM 873 CZ ARG A 55 -10.612 -3.684 27.984 1.00 0.00 C ATOM 874 NH1 ARG A 55 -11.374 -2.775 28.530 1.00 0.00 N ATOM 875 NH2 ARG A 55 -9.689 -4.273 28.694 1.00 0.00 N ATOM 0 H ARG A 55 -10.518 -1.661 23.023 1.00 0.00 H new ATOM 0 HA ARG A 55 -11.540 -4.151 22.279 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -11.370 -2.436 24.533 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -13.094 -2.698 24.355 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -12.719 -5.176 24.300 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -10.991 -4.923 24.456 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -12.883 -3.700 26.516 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -12.410 -5.382 26.657 1.00 0.00 H new ATOM 0 HE ARG A 55 -9.983 -3.966 26.088 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -12.096 -2.315 27.976 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.247 -2.525 29.511 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -9.094 -4.984 28.268 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -9.563 -4.023 29.675 1.00 0.00 H new ATOM 889 N ASN A 56 -14.086 -2.077 22.320 1.00 0.00 N ATOM 890 CA ASN A 56 -15.414 -1.867 21.678 1.00 0.00 C ATOM 891 C ASN A 56 -15.689 -0.370 21.514 1.00 0.00 C ATOM 892 O ASN A 56 -15.104 0.455 22.189 1.00 0.00 O ATOM 893 CB ASN A 56 -16.425 -2.497 22.637 1.00 0.00 C ATOM 894 CG ASN A 56 -16.100 -2.078 24.073 1.00 0.00 C ATOM 895 OD1 ASN A 56 -16.162 -0.817 24.402 1.00 0.00 O flip ATOM 896 ND2 ASN A 56 -15.785 -2.908 24.903 1.00 0.00 N flip ATOM 0 H ASN A 56 -13.868 -1.439 23.085 1.00 0.00 H new ATOM 0 HA ASN A 56 -15.467 -2.311 20.684 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -17.435 -2.182 22.375 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -16.397 -3.583 22.549 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -15.737 -3.894 24.646 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -15.569 -2.619 25.857 1.00 0.00 H new ATOM 903 N ILE A 57 -16.573 -0.013 20.624 1.00 0.00 N ATOM 904 CA ILE A 57 -16.882 1.431 20.420 1.00 0.00 C ATOM 905 C ILE A 57 -18.294 1.746 20.920 1.00 0.00 C ATOM 906 O ILE A 57 -19.276 1.449 20.269 1.00 0.00 O ATOM 907 CB ILE A 57 -16.787 1.644 18.908 1.00 0.00 C ATOM 908 CG1 ILE A 57 -15.485 1.031 18.387 1.00 0.00 C ATOM 909 CG2 ILE A 57 -16.803 3.142 18.603 1.00 0.00 C ATOM 910 CD1 ILE A 57 -15.790 -0.286 17.673 1.00 0.00 C ATOM 0 H ILE A 57 -17.094 -0.657 20.030 1.00 0.00 H new ATOM 0 HA ILE A 57 -16.200 2.082 20.968 1.00 0.00 H new ATOM 0 HB ILE A 57 -17.635 1.164 18.419 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -14.994 1.722 17.703 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -14.796 0.857 19.214 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -16.735 3.295 17.526 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -17.730 3.579 18.974 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -15.955 3.622 19.091 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -14.862 -0.722 17.302 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -16.262 -0.977 18.371 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -16.463 -0.099 16.836 1.00 0.00 H new ATOM 922 N ASN A 58 -18.404 2.347 22.074 1.00 0.00 N ATOM 923 CA ASN A 58 -19.752 2.681 22.616 1.00 0.00 C ATOM 924 C ASN A 58 -20.569 1.404 22.830 1.00 0.00 C ATOM 925 O ASN A 58 -20.041 0.370 23.188 1.00 0.00 O ATOM 926 CB ASN A 58 -20.400 3.558 21.545 1.00 0.00 C ATOM 927 CG ASN A 58 -21.177 4.693 22.213 1.00 0.00 C ATOM 928 OD1 ASN A 58 -22.069 4.453 23.002 1.00 0.00 O ATOM 929 ND2 ASN A 58 -20.876 5.931 21.927 1.00 0.00 N ATOM 0 H ASN A 58 -17.619 2.621 22.665 1.00 0.00 H new ATOM 0 HA ASN A 58 -19.696 3.186 23.580 1.00 0.00 H new ATOM 0 HB2 ASN A 58 -19.636 3.967 20.884 1.00 0.00 H new ATOM 0 HB3 ASN A 58 -21.070 2.960 20.927 1.00 0.00 H new ATOM 0 HD21 ASN A 58 -21.390 6.695 22.366 1.00 0.00 H new ATOM 0 HD22 ASN A 58 -20.127 6.134 21.265 1.00 0.00 H new ATOM 936 N ARG A 59 -21.854 1.468 22.615 1.00 0.00 N ATOM 937 CA ARG A 59 -22.704 0.258 22.806 1.00 0.00 C ATOM 938 C ARG A 59 -22.224 -0.876 21.898 1.00 0.00 C ATOM 939 O ARG A 59 -21.547 -1.788 22.331 1.00 0.00 O ATOM 940 CB ARG A 59 -24.114 0.698 22.414 1.00 0.00 C ATOM 941 CG ARG A 59 -24.940 0.948 23.678 1.00 0.00 C ATOM 942 CD ARG A 59 -25.403 2.405 23.707 1.00 0.00 C ATOM 943 NE ARG A 59 -26.793 2.356 24.239 1.00 0.00 N ATOM 944 CZ ARG A 59 -27.613 3.348 24.017 1.00 0.00 C ATOM 945 NH1 ARG A 59 -27.513 4.445 24.716 1.00 0.00 N ATOM 946 NH2 ARG A 59 -28.531 3.241 23.095 1.00 0.00 N ATOM 0 H ARG A 59 -22.353 2.306 22.315 1.00 0.00 H new ATOM 0 HA ARG A 59 -22.663 -0.117 23.829 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -24.069 1.605 21.811 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -24.589 -0.069 21.802 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -25.802 0.281 23.699 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -24.344 0.727 24.564 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -24.758 3.012 24.343 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -25.377 2.848 22.711 1.00 0.00 H new ATOM 0 HE ARG A 59 -27.105 1.547 24.777 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -26.795 4.528 25.435 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -28.153 5.220 24.543 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -28.607 2.383 22.549 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -29.172 4.015 22.921 1.00 0.00 H new ATOM 960 N ALA A 60 -22.565 -0.825 20.640 1.00 0.00 N ATOM 961 CA ALA A 60 -22.125 -1.900 19.704 1.00 0.00 C ATOM 962 C ALA A 60 -22.383 -3.278 20.321 1.00 0.00 C ATOM 963 O ALA A 60 -21.644 -4.195 20.001 1.00 0.00 O ATOM 964 CB ALA A 60 -20.626 -1.667 19.516 1.00 0.00 C ATOM 965 OXT ALA A 60 -23.314 -3.392 21.101 1.00 0.00 O ATOM 0 H ALA A 60 -23.129 -0.087 20.219 1.00 0.00 H new ATOM 0 HA ALA A 60 -22.665 -1.872 18.757 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -20.223 -2.419 18.838 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -20.462 -0.675 19.096 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -20.123 -1.741 20.480 1.00 0.00 H new TER 971 ALA A 60 ATOM 972 N MET B 1 -5.707 -21.835 -12.051 1.00 0.00 N ATOM 973 CA MET B 1 -6.863 -22.651 -11.582 1.00 0.00 C ATOM 974 C MET B 1 -7.707 -21.847 -10.590 1.00 0.00 C ATOM 975 O MET B 1 -7.462 -20.680 -10.355 1.00 0.00 O ATOM 976 CB MET B 1 -6.236 -23.863 -10.894 1.00 0.00 C ATOM 977 CG MET B 1 -6.972 -25.135 -11.325 1.00 0.00 C ATOM 978 SD MET B 1 -6.222 -26.571 -10.517 1.00 0.00 S ATOM 979 CE MET B 1 -4.932 -26.878 -11.748 1.00 0.00 C ATOM 0 H1 MET B 1 -5.409 -22.164 -12.991 1.00 0.00 H new ATOM 0 H2 MET B 1 -5.988 -20.835 -12.107 1.00 0.00 H new ATOM 0 H3 MET B 1 -4.917 -21.936 -11.382 1.00 0.00 H new ATOM 0 HA MET B 1 -7.524 -22.942 -12.398 1.00 0.00 H new ATOM 0 HB2 MET B 1 -5.180 -23.936 -11.154 1.00 0.00 H new ATOM 0 HB3 MET B 1 -6.290 -23.748 -9.811 1.00 0.00 H new ATOM 0 HG2 MET B 1 -8.027 -25.065 -11.060 1.00 0.00 H new ATOM 0 HG3 MET B 1 -6.923 -25.247 -12.408 1.00 0.00 H new ATOM 0 HE1 MET B 1 -4.038 -27.255 -11.252 1.00 0.00 H new ATOM 0 HE2 MET B 1 -5.285 -27.615 -12.469 1.00 0.00 H new ATOM 0 HE3 MET B 1 -4.695 -25.949 -12.266 1.00 0.00 H new ATOM 991 N GLY B 2 -8.697 -22.462 -10.003 1.00 0.00 N ATOM 992 CA GLY B 2 -9.550 -21.732 -9.023 1.00 0.00 C ATOM 993 C GLY B 2 -8.873 -21.755 -7.651 1.00 0.00 C ATOM 994 O GLY B 2 -7.884 -21.088 -7.438 1.00 0.00 O ATOM 0 H GLY B 2 -8.952 -23.437 -10.159 1.00 0.00 H new ATOM 0 HA2 GLY B 2 -9.701 -20.703 -9.350 1.00 0.00 H new ATOM 0 HA3 GLY B 2 -10.535 -22.196 -8.964 1.00 0.00 H new ATOM 998 N PRO B 3 -9.430 -22.533 -6.768 1.00 0.00 N ATOM 999 CA PRO B 3 -8.876 -22.663 -5.392 1.00 0.00 C ATOM 1000 C PRO B 3 -7.569 -23.449 -5.462 1.00 0.00 C ATOM 1001 O PRO B 3 -6.910 -23.473 -6.483 1.00 0.00 O ATOM 1002 CB PRO B 3 -9.935 -23.488 -4.669 1.00 0.00 C ATOM 1003 CG PRO B 3 -10.583 -24.271 -5.761 1.00 0.00 C ATOM 1004 CD PRO B 3 -10.618 -23.366 -6.956 1.00 0.00 C ATOM 0 HA PRO B 3 -8.669 -21.710 -4.904 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -9.490 -24.141 -3.918 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -10.654 -22.852 -4.152 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -10.020 -25.179 -5.976 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -11.589 -24.579 -5.476 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -10.575 -23.927 -7.889 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -11.530 -22.769 -6.985 1.00 0.00 H new ATOM 1012 N LEU B 4 -7.197 -24.124 -4.409 1.00 0.00 N ATOM 1013 CA LEU B 4 -5.950 -24.929 -4.475 1.00 0.00 C ATOM 1014 C LEU B 4 -4.768 -24.019 -4.796 1.00 0.00 C ATOM 1015 O LEU B 4 -4.809 -22.831 -4.548 1.00 0.00 O ATOM 1016 CB LEU B 4 -6.224 -25.892 -5.631 1.00 0.00 C ATOM 1017 CG LEU B 4 -5.447 -27.193 -5.423 1.00 0.00 C ATOM 1018 CD1 LEU B 4 -6.325 -28.194 -4.669 1.00 0.00 C ATOM 1019 CD2 LEU B 4 -5.059 -27.781 -6.783 1.00 0.00 C ATOM 0 H LEU B 4 -7.695 -24.152 -3.519 1.00 0.00 H new ATOM 0 HA LEU B 4 -5.704 -25.442 -3.545 1.00 0.00 H new ATOM 0 HB2 LEU B 4 -7.292 -26.103 -5.695 1.00 0.00 H new ATOM 0 HB3 LEU B 4 -5.933 -25.432 -6.575 1.00 0.00 H new ATOM 0 HG LEU B 4 -4.546 -26.989 -4.845 1.00 0.00 H new ATOM 0 HD11 LEU B 4 -5.773 -29.122 -4.520 1.00 0.00 H new ATOM 0 HD12 LEU B 4 -6.603 -27.777 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU B 4 -7.226 -28.397 -5.249 1.00 0.00 H new ATOM 0 HD21 LEU B 4 -4.505 -28.708 -6.634 1.00 0.00 H new ATOM 0 HD22 LEU B 4 -5.960 -27.985 -7.361 1.00 0.00 H new ATOM 0 HD23 LEU B 4 -4.435 -27.069 -7.323 1.00 0.00 H new ATOM 1031 N GLN B 5 -3.723 -24.553 -5.373 1.00 0.00 N ATOM 1032 CA GLN B 5 -2.567 -23.684 -5.729 1.00 0.00 C ATOM 1033 C GLN B 5 -3.110 -22.438 -6.421 1.00 0.00 C ATOM 1034 O GLN B 5 -2.516 -21.379 -6.393 1.00 0.00 O ATOM 1035 CB GLN B 5 -1.714 -24.513 -6.689 1.00 0.00 C ATOM 1036 CG GLN B 5 -0.534 -25.119 -5.927 1.00 0.00 C ATOM 1037 CD GLN B 5 0.504 -25.639 -6.923 1.00 0.00 C ATOM 1038 OE1 GLN B 5 0.175 -25.970 -8.045 1.00 0.00 O ATOM 1039 NE2 GLN B 5 1.754 -25.725 -6.557 1.00 0.00 N ATOM 0 H GLN B 5 -3.622 -25.540 -5.610 1.00 0.00 H new ATOM 0 HA GLN B 5 -1.980 -23.368 -4.867 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -2.316 -25.303 -7.138 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -1.352 -23.887 -7.504 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -0.085 -24.370 -5.275 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -0.879 -25.932 -5.288 1.00 0.00 H new ATOM 0 HE21 GLN B 5 2.030 -25.447 -5.615 1.00 0.00 H new ATOM 0 HE22 GLN B 5 2.455 -26.070 -7.213 1.00 0.00 H new ATOM 1048 N TYR B 6 -4.261 -22.568 -7.027 1.00 0.00 N ATOM 1049 CA TYR B 6 -4.896 -21.413 -7.714 1.00 0.00 C ATOM 1050 C TYR B 6 -4.097 -21.045 -8.977 1.00 0.00 C ATOM 1051 O TYR B 6 -3.857 -21.882 -9.825 1.00 0.00 O ATOM 1052 CB TYR B 6 -4.876 -20.289 -6.671 1.00 0.00 C ATOM 1053 CG TYR B 6 -6.078 -19.389 -6.855 1.00 0.00 C ATOM 1054 CD1 TYR B 6 -6.331 -18.791 -8.097 1.00 0.00 C ATOM 1055 CD2 TYR B 6 -6.942 -19.152 -5.778 1.00 0.00 C ATOM 1056 CE1 TYR B 6 -7.444 -17.959 -8.259 1.00 0.00 C ATOM 1057 CE2 TYR B 6 -8.056 -18.320 -5.941 1.00 0.00 C ATOM 1058 CZ TYR B 6 -8.307 -17.723 -7.182 1.00 0.00 C ATOM 1059 OH TYR B 6 -9.403 -16.900 -7.343 1.00 0.00 O ATOM 0 H TYR B 6 -4.792 -23.438 -7.074 1.00 0.00 H new ATOM 0 HA TYR B 6 -5.911 -21.619 -8.054 1.00 0.00 H new ATOM 0 HB2 TYR B 6 -4.880 -20.714 -5.667 1.00 0.00 H new ATOM 0 HB3 TYR B 6 -3.959 -19.708 -6.768 1.00 0.00 H new ATOM 0 HD1 TYR B 6 -5.667 -18.972 -8.929 1.00 0.00 H new ATOM 0 HD2 TYR B 6 -6.748 -19.612 -4.820 1.00 0.00 H new ATOM 0 HE1 TYR B 6 -7.638 -17.498 -9.216 1.00 0.00 H new ATOM 0 HE2 TYR B 6 -8.721 -18.139 -5.110 1.00 0.00 H new ATOM 0 HH TYR B 6 -9.897 -16.844 -6.499 1.00 0.00 H new ATOM 1069 N LYS B 7 -3.685 -19.811 -9.119 1.00 0.00 N ATOM 1070 CA LYS B 7 -2.911 -19.416 -10.330 1.00 0.00 C ATOM 1071 C LYS B 7 -1.873 -20.488 -10.672 1.00 0.00 C ATOM 1072 O LYS B 7 -0.893 -20.661 -9.974 1.00 0.00 O ATOM 1073 CB LYS B 7 -2.223 -18.107 -9.947 1.00 0.00 C ATOM 1074 CG LYS B 7 -2.481 -17.056 -11.029 1.00 0.00 C ATOM 1075 CD LYS B 7 -1.767 -15.755 -10.657 1.00 0.00 C ATOM 1076 CE LYS B 7 -0.316 -16.063 -10.275 1.00 0.00 C ATOM 1077 NZ LYS B 7 0.482 -14.904 -10.776 1.00 0.00 N ATOM 0 H LYS B 7 -3.852 -19.061 -8.448 1.00 0.00 H new ATOM 0 HA LYS B 7 -3.548 -19.303 -11.208 1.00 0.00 H new ATOM 0 HB2 LYS B 7 -2.599 -17.754 -8.986 1.00 0.00 H new ATOM 0 HB3 LYS B 7 -1.151 -18.268 -9.830 1.00 0.00 H new ATOM 0 HG2 LYS B 7 -2.124 -17.416 -11.994 1.00 0.00 H new ATOM 0 HG3 LYS B 7 -3.552 -16.879 -11.131 1.00 0.00 H new ATOM 0 HD2 LYS B 7 -1.794 -15.060 -11.496 1.00 0.00 H new ATOM 0 HD3 LYS B 7 -2.279 -15.271 -9.825 1.00 0.00 H new ATOM 0 HE2 LYS B 7 -0.210 -16.176 -9.196 1.00 0.00 H new ATOM 0 HE3 LYS B 7 0.020 -16.996 -10.728 1.00 0.00 H new ATOM 0 HZ1 LYS B 7 1.486 -15.049 -10.548 1.00 0.00 H new ATOM 0 HZ2 LYS B 7 0.369 -14.824 -11.807 1.00 0.00 H new ATOM 0 HZ3 LYS B 7 0.147 -14.030 -10.323 1.00 0.00 H new ATOM 1091 N ASP B 8 -2.077 -21.205 -11.742 1.00 0.00 N ATOM 1092 CA ASP B 8 -1.100 -22.263 -12.127 1.00 0.00 C ATOM 1093 C ASP B 8 0.315 -21.681 -12.170 1.00 0.00 C ATOM 1094 O ASP B 8 0.501 -20.488 -12.309 1.00 0.00 O ATOM 1095 CB ASP B 8 -1.535 -22.718 -13.521 1.00 0.00 C ATOM 1096 CG ASP B 8 -3.015 -23.103 -13.493 1.00 0.00 C ATOM 1097 OD1 ASP B 8 -3.421 -23.747 -12.540 1.00 0.00 O ATOM 1098 OD2 ASP B 8 -3.716 -22.749 -14.426 1.00 0.00 O ATOM 0 H ASP B 8 -2.877 -21.105 -12.366 1.00 0.00 H new ATOM 0 HA ASP B 8 -1.084 -23.090 -11.417 1.00 0.00 H new ATOM 0 HB2 ASP B 8 -1.370 -21.919 -14.244 1.00 0.00 H new ATOM 0 HB3 ASP B 8 -0.933 -23.568 -13.842 1.00 0.00 H new ATOM 1103 N LEU B 9 1.313 -22.513 -12.050 1.00 0.00 N ATOM 1104 CA LEU B 9 2.717 -22.005 -12.085 1.00 0.00 C ATOM 1105 C LEU B 9 3.624 -23.000 -12.814 1.00 0.00 C ATOM 1106 O LEU B 9 3.689 -24.164 -12.473 1.00 0.00 O ATOM 1107 CB LEU B 9 3.153 -21.849 -10.618 1.00 0.00 C ATOM 1108 CG LEU B 9 2.403 -22.838 -9.717 1.00 0.00 C ATOM 1109 CD1 LEU B 9 2.810 -24.269 -10.068 1.00 0.00 C ATOM 1110 CD2 LEU B 9 2.749 -22.554 -8.254 1.00 0.00 C ATOM 0 H LEU B 9 1.219 -23.521 -11.929 1.00 0.00 H new ATOM 0 HA LEU B 9 2.786 -21.057 -12.619 1.00 0.00 H new ATOM 0 HB2 LEU B 9 4.227 -22.016 -10.534 1.00 0.00 H new ATOM 0 HB3 LEU B 9 2.962 -20.829 -10.284 1.00 0.00 H new ATOM 0 HG LEU B 9 1.330 -22.722 -9.869 1.00 0.00 H new ATOM 0 HD11 LEU B 9 2.274 -24.968 -9.425 1.00 0.00 H new ATOM 0 HD12 LEU B 9 2.563 -24.472 -11.110 1.00 0.00 H new ATOM 0 HD13 LEU B 9 3.883 -24.389 -9.919 1.00 0.00 H new ATOM 0 HD21 LEU B 9 2.217 -23.256 -7.611 1.00 0.00 H new ATOM 0 HD22 LEU B 9 3.823 -22.668 -8.105 1.00 0.00 H new ATOM 0 HD23 LEU B 9 2.454 -21.536 -8.001 1.00 0.00 H new ATOM 1122 N LYS B 10 4.327 -22.547 -13.817 1.00 0.00 N ATOM 1123 CA LYS B 10 5.234 -23.462 -14.569 1.00 0.00 C ATOM 1124 C LYS B 10 6.196 -22.649 -15.440 1.00 0.00 C ATOM 1125 O LYS B 10 5.845 -21.612 -15.966 1.00 0.00 O ATOM 1126 CB LYS B 10 4.308 -24.310 -15.443 1.00 0.00 C ATOM 1127 CG LYS B 10 3.551 -23.404 -16.417 1.00 0.00 C ATOM 1128 CD LYS B 10 2.608 -24.250 -17.277 1.00 0.00 C ATOM 1129 CE LYS B 10 3.430 -25.136 -18.218 1.00 0.00 C ATOM 1130 NZ LYS B 10 3.547 -26.451 -17.519 1.00 0.00 N ATOM 0 H LYS B 10 4.313 -21.582 -14.148 1.00 0.00 H new ATOM 0 HA LYS B 10 5.843 -24.077 -13.906 1.00 0.00 H new ATOM 0 HB2 LYS B 10 4.888 -25.050 -15.995 1.00 0.00 H new ATOM 0 HB3 LYS B 10 3.603 -24.859 -14.818 1.00 0.00 H new ATOM 0 HG2 LYS B 10 2.983 -22.655 -15.866 1.00 0.00 H new ATOM 0 HG3 LYS B 10 4.255 -22.867 -17.052 1.00 0.00 H new ATOM 0 HD2 LYS B 10 1.974 -24.867 -16.641 1.00 0.00 H new ATOM 0 HD3 LYS B 10 1.947 -23.604 -17.854 1.00 0.00 H new ATOM 0 HE2 LYS B 10 2.938 -25.247 -19.184 1.00 0.00 H new ATOM 0 HE3 LYS B 10 4.412 -24.703 -18.408 1.00 0.00 H new ATOM 0 HZ1 LYS B 10 4.550 -26.661 -17.340 1.00 0.00 H new ATOM 0 HZ2 LYS B 10 3.035 -26.410 -16.615 1.00 0.00 H new ATOM 0 HZ3 LYS B 10 3.137 -27.199 -18.115 1.00 0.00 H new ATOM 1144 N ILE B 11 7.409 -23.110 -15.594 1.00 0.00 N ATOM 1145 CA ILE B 11 8.397 -22.361 -16.432 1.00 0.00 C ATOM 1146 C ILE B 11 8.309 -20.870 -16.133 1.00 0.00 C ATOM 1147 O ILE B 11 8.648 -20.043 -16.955 1.00 0.00 O ATOM 1148 CB ILE B 11 8.001 -22.647 -17.892 1.00 0.00 C ATOM 1149 CG1 ILE B 11 6.846 -21.739 -18.347 1.00 0.00 C ATOM 1150 CG2 ILE B 11 7.543 -24.091 -18.009 1.00 0.00 C ATOM 1151 CD1 ILE B 11 6.812 -21.694 -19.876 1.00 0.00 C ATOM 0 H ILE B 11 7.760 -23.972 -15.177 1.00 0.00 H new ATOM 0 HA ILE B 11 9.423 -22.669 -16.230 1.00 0.00 H new ATOM 0 HB ILE B 11 8.870 -22.456 -18.521 1.00 0.00 H new ATOM 0 HG12 ILE B 11 5.898 -22.115 -17.961 1.00 0.00 H new ATOM 0 HG13 ILE B 11 6.977 -20.734 -17.945 1.00 0.00 H new ATOM 0 HG21 ILE B 11 7.261 -24.301 -19.041 1.00 0.00 H new ATOM 0 HG22 ILE B 11 8.355 -24.755 -17.713 1.00 0.00 H new ATOM 0 HG23 ILE B 11 6.684 -24.254 -17.358 1.00 0.00 H new ATOM 0 HD11 ILE B 11 5.995 -21.051 -20.203 1.00 0.00 H new ATOM 0 HD12 ILE B 11 7.756 -21.298 -20.249 1.00 0.00 H new ATOM 0 HD13 ILE B 11 6.661 -22.700 -20.266 1.00 0.00 H new ATOM 1163 N ASP B 12 7.842 -20.513 -14.975 1.00 0.00 N ATOM 1164 CA ASP B 12 7.718 -19.073 -14.666 1.00 0.00 C ATOM 1165 C ASP B 12 9.093 -18.471 -14.357 1.00 0.00 C ATOM 1166 O ASP B 12 10.028 -18.618 -15.119 1.00 0.00 O ATOM 1167 CB ASP B 12 6.800 -19.000 -13.446 1.00 0.00 C ATOM 1168 CG ASP B 12 7.402 -19.820 -12.303 1.00 0.00 C ATOM 1169 OD1 ASP B 12 7.818 -20.938 -12.558 1.00 0.00 O ATOM 1170 OD2 ASP B 12 7.437 -19.314 -11.194 1.00 0.00 O ATOM 0 H ASP B 12 7.544 -21.151 -14.237 1.00 0.00 H new ATOM 0 HA ASP B 12 7.314 -18.507 -15.505 1.00 0.00 H new ATOM 0 HB2 ASP B 12 6.672 -17.963 -13.135 1.00 0.00 H new ATOM 0 HB3 ASP B 12 5.811 -19.381 -13.699 1.00 0.00 H new ATOM 1175 N ILE B 13 9.224 -17.793 -13.249 1.00 0.00 N ATOM 1176 CA ILE B 13 10.540 -17.183 -12.901 1.00 0.00 C ATOM 1177 C ILE B 13 10.870 -17.433 -11.427 1.00 0.00 C ATOM 1178 O ILE B 13 10.027 -17.837 -10.649 1.00 0.00 O ATOM 1179 CB ILE B 13 10.364 -15.686 -13.157 1.00 0.00 C ATOM 1180 CG1 ILE B 13 9.697 -15.473 -14.518 1.00 0.00 C ATOM 1181 CG2 ILE B 13 11.730 -15.000 -13.148 1.00 0.00 C ATOM 1182 CD1 ILE B 13 10.687 -15.817 -15.632 1.00 0.00 C ATOM 0 H ILE B 13 8.479 -17.635 -12.571 1.00 0.00 H new ATOM 0 HA ILE B 13 11.355 -17.607 -13.487 1.00 0.00 H new ATOM 0 HB ILE B 13 9.738 -15.258 -12.374 1.00 0.00 H new ATOM 0 HG12 ILE B 13 8.808 -16.099 -14.601 1.00 0.00 H new ATOM 0 HG13 ILE B 13 9.369 -14.438 -14.616 1.00 0.00 H new ATOM 0 HG21 ILE B 13 11.603 -13.933 -13.331 1.00 0.00 H new ATOM 0 HG22 ILE B 13 12.205 -15.148 -12.178 1.00 0.00 H new ATOM 0 HG23 ILE B 13 12.358 -15.429 -13.929 1.00 0.00 H new ATOM 0 HD11 ILE B 13 10.212 -15.665 -16.601 1.00 0.00 H new ATOM 0 HD12 ILE B 13 11.563 -15.173 -15.552 1.00 0.00 H new ATOM 0 HD13 ILE B 13 10.993 -16.859 -15.538 1.00 0.00 H new ATOM 1194 N LYS B 14 12.091 -17.189 -11.036 1.00 0.00 N ATOM 1195 CA LYS B 14 12.482 -17.400 -9.611 1.00 0.00 C ATOM 1196 C LYS B 14 13.197 -16.153 -9.081 1.00 0.00 C ATOM 1197 O LYS B 14 13.050 -15.781 -7.935 1.00 0.00 O ATOM 1198 CB LYS B 14 13.427 -18.611 -9.603 1.00 0.00 C ATOM 1199 CG LYS B 14 14.246 -18.657 -10.896 1.00 0.00 C ATOM 1200 CD LYS B 14 13.406 -19.296 -12.003 1.00 0.00 C ATOM 1201 CE LYS B 14 14.108 -20.556 -12.515 1.00 0.00 C ATOM 1202 NZ LYS B 14 13.006 -21.500 -12.853 1.00 0.00 N ATOM 0 H LYS B 14 12.838 -16.851 -11.643 1.00 0.00 H new ATOM 0 HA LYS B 14 11.616 -17.576 -8.973 1.00 0.00 H new ATOM 0 HB2 LYS B 14 14.095 -18.553 -8.744 1.00 0.00 H new ATOM 0 HB3 LYS B 14 12.850 -19.530 -9.497 1.00 0.00 H new ATOM 0 HG2 LYS B 14 14.546 -17.650 -11.186 1.00 0.00 H new ATOM 0 HG3 LYS B 14 15.160 -19.230 -10.741 1.00 0.00 H new ATOM 0 HD2 LYS B 14 12.416 -19.548 -11.623 1.00 0.00 H new ATOM 0 HD3 LYS B 14 13.264 -18.589 -12.820 1.00 0.00 H new ATOM 0 HE2 LYS B 14 14.723 -20.338 -13.388 1.00 0.00 H new ATOM 0 HE3 LYS B 14 14.769 -20.976 -11.756 1.00 0.00 H new ATOM 0 HZ1 LYS B 14 13.408 -22.389 -13.212 1.00 0.00 H new ATOM 0 HZ2 LYS B 14 12.442 -21.694 -12.001 1.00 0.00 H new ATOM 0 HZ3 LYS B 14 12.397 -21.076 -13.582 1.00 0.00 H new ATOM 1216 N THR B 15 13.962 -15.502 -9.915 1.00 0.00 N ATOM 1217 CA THR B 15 14.680 -14.274 -9.469 1.00 0.00 C ATOM 1218 C THR B 15 13.969 -13.026 -10.006 1.00 0.00 C ATOM 1219 O THR B 15 13.992 -12.757 -11.190 1.00 0.00 O ATOM 1220 CB THR B 15 16.081 -14.393 -10.063 1.00 0.00 C ATOM 1221 OG1 THR B 15 15.988 -14.826 -11.413 1.00 0.00 O ATOM 1222 CG2 THR B 15 16.892 -15.404 -9.251 1.00 0.00 C ATOM 0 H THR B 15 14.121 -15.768 -10.887 1.00 0.00 H new ATOM 0 HA THR B 15 14.709 -14.182 -8.383 1.00 0.00 H new ATOM 0 HB THR B 15 16.576 -13.423 -10.030 1.00 0.00 H new ATOM 0 HG1 THR B 15 15.324 -14.282 -11.886 1.00 0.00 H new ATOM 0 HG21 THR B 15 17.893 -15.491 -9.673 1.00 0.00 H new ATOM 0 HG22 THR B 15 16.962 -15.067 -8.217 1.00 0.00 H new ATOM 0 HG23 THR B 15 16.399 -16.376 -9.283 1.00 0.00 H new ATOM 1230 N SER B 16 13.331 -12.266 -9.147 1.00 0.00 N ATOM 1231 CA SER B 16 12.621 -11.041 -9.624 1.00 0.00 C ATOM 1232 C SER B 16 13.656 -10.060 -10.260 1.00 0.00 C ATOM 1233 O SER B 16 14.323 -10.489 -11.180 1.00 0.00 O ATOM 1234 CB SER B 16 11.873 -10.530 -8.394 1.00 0.00 C ATOM 1235 OG SER B 16 11.005 -11.554 -7.926 1.00 0.00 O ATOM 0 H SER B 16 13.272 -12.441 -8.144 1.00 0.00 H new ATOM 0 HA SER B 16 11.898 -11.200 -10.424 1.00 0.00 H new ATOM 0 HB2 SER B 16 12.579 -10.248 -7.613 1.00 0.00 H new ATOM 0 HB3 SER B 16 11.301 -9.636 -8.644 1.00 0.00 H new ATOM 0 HG SER B 16 10.521 -11.237 -7.135 1.00 0.00 H new ATOM 1241 N PRO B 17 13.830 -8.791 -9.850 1.00 0.00 N ATOM 1242 CA PRO B 17 13.152 -8.047 -8.769 1.00 0.00 C ATOM 1243 C PRO B 17 12.263 -6.958 -9.361 1.00 0.00 C ATOM 1244 O PRO B 17 12.236 -5.857 -8.848 1.00 0.00 O ATOM 1245 CB PRO B 17 14.334 -7.324 -8.133 1.00 0.00 C ATOM 1246 CG PRO B 17 15.356 -7.204 -9.222 1.00 0.00 C ATOM 1247 CD PRO B 17 14.780 -7.877 -10.426 1.00 0.00 C ATOM 0 HA PRO B 17 12.549 -8.681 -8.119 1.00 0.00 H new ATOM 0 HB2 PRO B 17 14.040 -6.343 -7.759 1.00 0.00 H new ATOM 0 HB3 PRO B 17 14.727 -7.884 -7.284 1.00 0.00 H new ATOM 0 HG2 PRO B 17 15.577 -6.158 -9.432 1.00 0.00 H new ATOM 0 HG3 PRO B 17 16.294 -7.675 -8.927 1.00 0.00 H new ATOM 0 HD2 PRO B 17 14.301 -7.165 -11.098 1.00 0.00 H new ATOM 0 HD3 PRO B 17 15.544 -8.397 -11.004 1.00 0.00 H new ATOM 1255 N PRO B 18 11.610 -7.249 -10.444 1.00 0.00 N ATOM 1256 CA PRO B 18 10.798 -6.213 -11.097 1.00 0.00 C ATOM 1257 C PRO B 18 9.707 -5.666 -10.158 1.00 0.00 C ATOM 1258 O PRO B 18 9.452 -4.478 -10.181 1.00 0.00 O ATOM 1259 CB PRO B 18 10.301 -6.898 -12.367 1.00 0.00 C ATOM 1260 CG PRO B 18 10.358 -8.355 -12.070 1.00 0.00 C ATOM 1261 CD PRO B 18 11.537 -8.533 -11.152 1.00 0.00 C ATOM 0 HA PRO B 18 11.345 -5.305 -11.349 1.00 0.00 H new ATOM 0 HB2 PRO B 18 9.286 -6.585 -12.612 1.00 0.00 H new ATOM 0 HB3 PRO B 18 10.928 -6.645 -13.222 1.00 0.00 H new ATOM 0 HG2 PRO B 18 9.437 -8.695 -11.596 1.00 0.00 H new ATOM 0 HG3 PRO B 18 10.481 -8.937 -12.983 1.00 0.00 H new ATOM 0 HD2 PRO B 18 11.389 -9.364 -10.463 1.00 0.00 H new ATOM 0 HD3 PRO B 18 12.452 -8.739 -11.707 1.00 0.00 H new ATOM 1269 N PRO B 19 9.143 -6.488 -9.298 1.00 0.00 N ATOM 1270 CA PRO B 19 8.169 -5.949 -8.324 1.00 0.00 C ATOM 1271 C PRO B 19 8.974 -5.157 -7.292 1.00 0.00 C ATOM 1272 O PRO B 19 9.253 -5.632 -6.212 1.00 0.00 O ATOM 1273 CB PRO B 19 7.536 -7.191 -7.704 1.00 0.00 C ATOM 1274 CG PRO B 19 8.558 -8.265 -7.881 1.00 0.00 C ATOM 1275 CD PRO B 19 9.324 -7.939 -9.138 1.00 0.00 C ATOM 0 HA PRO B 19 7.405 -5.294 -8.743 1.00 0.00 H new ATOM 0 HB2 PRO B 19 7.305 -7.034 -6.650 1.00 0.00 H new ATOM 0 HB3 PRO B 19 6.600 -7.449 -8.201 1.00 0.00 H new ATOM 0 HG2 PRO B 19 9.227 -8.307 -7.021 1.00 0.00 H new ATOM 0 HG3 PRO B 19 8.081 -9.242 -7.962 1.00 0.00 H new ATOM 0 HD2 PRO B 19 10.378 -8.202 -9.043 1.00 0.00 H new ATOM 0 HD3 PRO B 19 8.935 -8.487 -9.996 1.00 0.00 H new ATOM 1283 N GLU B 20 9.406 -3.980 -7.666 1.00 0.00 N ATOM 1284 CA GLU B 20 10.267 -3.140 -6.770 1.00 0.00 C ATOM 1285 C GLU B 20 9.639 -2.863 -5.399 1.00 0.00 C ATOM 1286 O GLU B 20 9.557 -1.731 -4.983 1.00 0.00 O ATOM 1287 CB GLU B 20 10.456 -1.816 -7.520 1.00 0.00 C ATOM 1288 CG GLU B 20 9.139 -1.386 -8.170 1.00 0.00 C ATOM 1289 CD GLU B 20 8.812 0.050 -7.756 1.00 0.00 C ATOM 1290 OE1 GLU B 20 9.257 0.959 -8.438 1.00 0.00 O ATOM 1291 OE2 GLU B 20 8.122 0.218 -6.764 1.00 0.00 O ATOM 0 H GLU B 20 9.196 -3.556 -8.570 1.00 0.00 H new ATOM 0 HA GLU B 20 11.199 -3.665 -6.562 1.00 0.00 H new ATOM 0 HB2 GLU B 20 10.799 -1.045 -6.831 1.00 0.00 H new ATOM 0 HB3 GLU B 20 11.227 -1.928 -8.282 1.00 0.00 H new ATOM 0 HG2 GLU B 20 9.217 -1.454 -9.255 1.00 0.00 H new ATOM 0 HG3 GLU B 20 8.335 -2.056 -7.865 1.00 0.00 H new ATOM 1298 N CYS B 21 9.242 -3.860 -4.664 1.00 0.00 N ATOM 1299 CA CYS B 21 8.689 -3.558 -3.306 1.00 0.00 C ATOM 1300 C CYS B 21 9.851 -3.346 -2.328 1.00 0.00 C ATOM 1301 O CYS B 21 9.755 -2.574 -1.396 1.00 0.00 O ATOM 1302 CB CYS B 21 7.754 -4.702 -2.839 1.00 0.00 C ATOM 1303 SG CYS B 21 7.901 -6.194 -3.861 1.00 0.00 S ATOM 0 H CYS B 21 9.272 -4.845 -4.928 1.00 0.00 H new ATOM 0 HA CYS B 21 8.093 -2.646 -3.342 1.00 0.00 H new ATOM 0 HB2 CYS B 21 7.984 -4.953 -1.803 1.00 0.00 H new ATOM 0 HB3 CYS B 21 6.722 -4.353 -2.861 1.00 0.00 H new ATOM 0 HG CYS B 21 8.010 -5.855 -5.111 1.00 0.00 H new ATOM 1309 N ILE B 22 10.962 -4.011 -2.548 1.00 0.00 N ATOM 1310 CA ILE B 22 12.140 -3.825 -1.642 1.00 0.00 C ATOM 1311 C ILE B 22 12.873 -2.549 -2.010 1.00 0.00 C ATOM 1312 O ILE B 22 13.077 -1.681 -1.200 1.00 0.00 O ATOM 1313 CB ILE B 22 13.079 -5.005 -1.902 1.00 0.00 C ATOM 1314 CG1 ILE B 22 12.407 -6.360 -1.649 1.00 0.00 C ATOM 1315 CG2 ILE B 22 14.299 -4.886 -0.997 1.00 0.00 C ATOM 1316 CD1 ILE B 22 11.003 -6.202 -1.040 1.00 0.00 C ATOM 0 H ILE B 22 11.103 -4.671 -3.312 1.00 0.00 H new ATOM 0 HA ILE B 22 11.822 -3.770 -0.601 1.00 0.00 H new ATOM 0 HB ILE B 22 13.363 -4.966 -2.954 1.00 0.00 H new ATOM 0 HG12 ILE B 22 12.335 -6.910 -2.587 1.00 0.00 H new ATOM 0 HG13 ILE B 22 13.028 -6.953 -0.978 1.00 0.00 H new ATOM 0 HG21 ILE B 22 14.970 -5.725 -1.179 1.00 0.00 H new ATOM 0 HG22 ILE B 22 14.819 -3.952 -1.209 1.00 0.00 H new ATOM 0 HG23 ILE B 22 13.981 -4.896 0.046 1.00 0.00 H new ATOM 0 HD11 ILE B 22 10.564 -7.186 -0.877 1.00 0.00 H new ATOM 0 HD12 ILE B 22 11.076 -5.676 -0.088 1.00 0.00 H new ATOM 0 HD13 ILE B 22 10.373 -5.632 -1.722 1.00 0.00 H new ATOM 1328 N ASN B 23 13.290 -2.432 -3.228 1.00 0.00 N ATOM 1329 CA ASN B 23 14.016 -1.193 -3.609 1.00 0.00 C ATOM 1330 C ASN B 23 13.085 0.008 -3.428 1.00 0.00 C ATOM 1331 O ASN B 23 13.404 0.937 -2.722 1.00 0.00 O ATOM 1332 CB ASN B 23 14.443 -1.369 -5.066 1.00 0.00 C ATOM 1333 CG ASN B 23 13.225 -1.371 -5.979 1.00 0.00 C ATOM 1334 OD1 ASN B 23 12.229 -1.983 -5.666 1.00 0.00 O ATOM 1335 ND2 ASN B 23 13.263 -0.705 -7.101 1.00 0.00 N ATOM 0 H ASN B 23 13.166 -3.123 -3.968 1.00 0.00 H new ATOM 0 HA ASN B 23 14.894 -1.017 -2.988 1.00 0.00 H new ATOM 0 HB2 ASN B 23 15.119 -0.564 -5.353 1.00 0.00 H new ATOM 0 HB3 ASN B 23 14.993 -2.303 -5.180 1.00 0.00 H new ATOM 0 HD21 ASN B 23 12.451 -0.699 -7.718 1.00 0.00 H new ATOM 0 HD22 ASN B 23 14.105 -0.191 -7.361 1.00 0.00 H new ATOM 1342 N ASP B 24 11.906 -0.018 -3.990 1.00 0.00 N ATOM 1343 CA ASP B 24 10.992 1.129 -3.774 1.00 0.00 C ATOM 1344 C ASP B 24 10.856 1.330 -2.282 1.00 0.00 C ATOM 1345 O ASP B 24 10.521 2.394 -1.803 1.00 0.00 O ATOM 1346 CB ASP B 24 9.656 0.715 -4.381 1.00 0.00 C ATOM 1347 CG ASP B 24 8.735 1.931 -4.478 1.00 0.00 C ATOM 1348 OD1 ASP B 24 9.199 3.025 -4.201 1.00 0.00 O ATOM 1349 OD2 ASP B 24 7.581 1.748 -4.828 1.00 0.00 O ATOM 0 H ASP B 24 11.546 -0.770 -4.577 1.00 0.00 H new ATOM 0 HA ASP B 24 11.347 2.056 -4.224 1.00 0.00 H new ATOM 0 HB2 ASP B 24 9.813 0.286 -5.371 1.00 0.00 H new ATOM 0 HB3 ASP B 24 9.191 -0.057 -3.768 1.00 0.00 H new ATOM 1354 N LEU B 25 11.132 0.296 -1.541 1.00 0.00 N ATOM 1355 CA LEU B 25 11.045 0.391 -0.082 1.00 0.00 C ATOM 1356 C LEU B 25 12.346 0.906 0.472 1.00 0.00 C ATOM 1357 O LEU B 25 12.433 1.929 1.122 1.00 0.00 O ATOM 1358 CB LEU B 25 10.847 -1.051 0.399 1.00 0.00 C ATOM 1359 CG LEU B 25 11.465 -1.256 1.804 1.00 0.00 C ATOM 1360 CD1 LEU B 25 10.379 -1.262 2.863 1.00 0.00 C ATOM 1361 CD2 LEU B 25 12.234 -2.574 1.840 1.00 0.00 C ATOM 0 H LEU B 25 11.416 -0.616 -1.899 1.00 0.00 H new ATOM 0 HA LEU B 25 10.244 1.059 0.235 1.00 0.00 H new ATOM 0 HB2 LEU B 25 9.783 -1.286 0.428 1.00 0.00 H new ATOM 0 HB3 LEU B 25 11.307 -1.741 -0.309 1.00 0.00 H new ATOM 0 HG LEU B 25 12.149 -0.433 2.012 1.00 0.00 H new ATOM 0 HD11 LEU B 25 10.829 -1.407 3.845 1.00 0.00 H new ATOM 0 HD12 LEU B 25 9.847 -0.311 2.844 1.00 0.00 H new ATOM 0 HD13 LEU B 25 9.679 -2.073 2.662 1.00 0.00 H new ATOM 0 HD21 LEU B 25 12.668 -2.715 2.830 1.00 0.00 H new ATOM 0 HD22 LEU B 25 11.555 -3.398 1.620 1.00 0.00 H new ATOM 0 HD23 LEU B 25 13.030 -2.552 1.095 1.00 0.00 H new ATOM 1373 N LEU B 26 13.336 0.109 0.277 1.00 0.00 N ATOM 1374 CA LEU B 26 14.645 0.388 0.828 1.00 0.00 C ATOM 1375 C LEU B 26 15.315 1.561 0.125 1.00 0.00 C ATOM 1376 O LEU B 26 16.335 2.052 0.566 1.00 0.00 O ATOM 1377 CB LEU B 26 15.389 -0.913 0.602 1.00 0.00 C ATOM 1378 CG LEU B 26 16.857 -0.655 0.743 1.00 0.00 C ATOM 1379 CD1 LEU B 26 17.113 -0.169 2.154 1.00 0.00 C ATOM 1380 CD2 LEU B 26 17.634 -1.944 0.486 1.00 0.00 C ATOM 0 H LEU B 26 13.278 -0.754 -0.264 1.00 0.00 H new ATOM 0 HA LEU B 26 14.617 0.685 1.876 1.00 0.00 H new ATOM 0 HB2 LEU B 26 15.066 -1.664 1.323 1.00 0.00 H new ATOM 0 HB3 LEU B 26 15.168 -1.308 -0.390 1.00 0.00 H new ATOM 0 HG LEU B 26 17.183 0.094 0.022 1.00 0.00 H new ATOM 0 HD11 LEU B 26 18.177 0.027 2.284 1.00 0.00 H new ATOM 0 HD12 LEU B 26 16.551 0.748 2.330 1.00 0.00 H new ATOM 0 HD13 LEU B 26 16.795 -0.932 2.865 1.00 0.00 H new ATOM 0 HD21 LEU B 26 18.702 -1.752 0.590 1.00 0.00 H new ATOM 0 HD22 LEU B 26 17.330 -2.702 1.208 1.00 0.00 H new ATOM 0 HD23 LEU B 26 17.426 -2.299 -0.523 1.00 0.00 H new ATOM 1392 N GLN B 27 14.742 2.049 -0.934 1.00 0.00 N ATOM 1393 CA GLN B 27 15.344 3.209 -1.599 1.00 0.00 C ATOM 1394 C GLN B 27 15.180 4.406 -0.664 1.00 0.00 C ATOM 1395 O GLN B 27 15.689 5.481 -0.911 1.00 0.00 O ATOM 1396 CB GLN B 27 14.525 3.389 -2.868 1.00 0.00 C ATOM 1397 CG GLN B 27 14.966 2.354 -3.901 1.00 0.00 C ATOM 1398 CD GLN B 27 15.918 2.977 -4.912 1.00 0.00 C ATOM 1399 OE1 GLN B 27 15.842 4.154 -5.202 1.00 0.00 O ATOM 1400 NE2 GLN B 27 16.824 2.220 -5.464 1.00 0.00 N ATOM 0 H GLN B 27 13.887 1.691 -1.359 1.00 0.00 H new ATOM 0 HA GLN B 27 16.403 3.098 -1.831 1.00 0.00 H new ATOM 0 HB2 GLN B 27 13.463 3.273 -2.650 1.00 0.00 H new ATOM 0 HB3 GLN B 27 14.661 4.396 -3.263 1.00 0.00 H new ATOM 0 HG2 GLN B 27 15.455 1.518 -3.400 1.00 0.00 H new ATOM 0 HG3 GLN B 27 14.093 1.951 -4.415 1.00 0.00 H new ATOM 0 HE21 GLN B 27 16.883 1.232 -5.217 1.00 0.00 H new ATOM 0 HE22 GLN B 27 17.474 2.615 -6.143 1.00 0.00 H new ATOM 1409 N ALA B 28 14.441 4.222 0.411 1.00 0.00 N ATOM 1410 CA ALA B 28 14.215 5.339 1.354 1.00 0.00 C ATOM 1411 C ALA B 28 14.732 5.033 2.769 1.00 0.00 C ATOM 1412 O ALA B 28 14.939 5.946 3.543 1.00 0.00 O ATOM 1413 CB ALA B 28 12.699 5.520 1.382 1.00 0.00 C ATOM 0 H ALA B 28 13.991 3.342 0.664 1.00 0.00 H new ATOM 0 HA ALA B 28 14.753 6.231 1.032 1.00 0.00 H new ATOM 0 HB1 ALA B 28 12.442 6.333 2.061 1.00 0.00 H new ATOM 0 HB2 ALA B 28 12.342 5.758 0.380 1.00 0.00 H new ATOM 0 HB3 ALA B 28 12.229 4.599 1.725 1.00 0.00 H new ATOM 1419 N VAL B 29 14.941 3.790 3.160 1.00 0.00 N ATOM 1420 CA VAL B 29 15.426 3.587 4.554 1.00 0.00 C ATOM 1421 C VAL B 29 16.902 3.238 4.563 1.00 0.00 C ATOM 1422 O VAL B 29 17.451 2.877 5.582 1.00 0.00 O ATOM 1423 CB VAL B 29 14.542 2.480 5.163 1.00 0.00 C ATOM 1424 CG1 VAL B 29 14.132 1.468 4.097 1.00 0.00 C ATOM 1425 CG2 VAL B 29 15.294 1.751 6.279 1.00 0.00 C ATOM 0 H VAL B 29 14.802 2.950 2.599 1.00 0.00 H new ATOM 0 HA VAL B 29 15.343 4.495 5.152 1.00 0.00 H new ATOM 0 HB VAL B 29 13.649 2.953 5.572 1.00 0.00 H new ATOM 0 HG11 VAL B 29 13.509 0.696 4.549 1.00 0.00 H new ATOM 0 HG12 VAL B 29 13.571 1.974 3.312 1.00 0.00 H new ATOM 0 HG13 VAL B 29 15.023 1.010 3.668 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.657 0.973 6.699 1.00 0.00 H new ATOM 0 HG22 VAL B 29 16.199 1.299 5.873 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.562 2.461 7.061 1.00 0.00 H new ATOM 1435 N ASP B 30 17.568 3.393 3.455 1.00 0.00 N ATOM 1436 CA ASP B 30 19.023 3.108 3.448 1.00 0.00 C ATOM 1437 C ASP B 30 19.277 1.798 4.155 1.00 0.00 C ATOM 1438 O ASP B 30 19.401 1.756 5.363 1.00 0.00 O ATOM 1439 CB ASP B 30 19.611 4.242 4.267 1.00 0.00 C ATOM 1440 CG ASP B 30 19.998 5.402 3.349 1.00 0.00 C ATOM 1441 OD1 ASP B 30 19.315 5.602 2.359 1.00 0.00 O ATOM 1442 OD2 ASP B 30 20.973 6.072 3.653 1.00 0.00 O ATOM 0 H ASP B 30 17.173 3.701 2.566 1.00 0.00 H new ATOM 0 HA ASP B 30 19.444 3.037 2.445 1.00 0.00 H new ATOM 0 HB2 ASP B 30 18.887 4.580 5.009 1.00 0.00 H new ATOM 0 HB3 ASP B 30 20.487 3.891 4.813 1.00 0.00 H new ATOM 1447 N SER B 31 19.318 0.715 3.458 1.00 0.00 N ATOM 1448 CA SER B 31 19.502 -0.534 4.197 1.00 0.00 C ATOM 1449 C SER B 31 19.875 -1.666 3.242 1.00 0.00 C ATOM 1450 O SER B 31 19.138 -2.613 3.058 1.00 0.00 O ATOM 1451 CB SER B 31 18.114 -0.688 4.817 1.00 0.00 C ATOM 1452 OG SER B 31 18.241 -1.115 6.158 1.00 0.00 O ATOM 0 H SER B 31 19.235 0.642 2.444 1.00 0.00 H new ATOM 0 HA SER B 31 20.305 -0.546 4.934 1.00 0.00 H new ATOM 0 HB2 SER B 31 17.578 0.260 4.775 1.00 0.00 H new ATOM 0 HB3 SER B 31 17.528 -1.410 4.248 1.00 0.00 H new ATOM 0 HG SER B 31 17.489 -1.701 6.387 1.00 0.00 H new ATOM 1458 N GLN B 32 21.024 -1.562 2.630 1.00 0.00 N ATOM 1459 CA GLN B 32 21.460 -2.614 1.673 1.00 0.00 C ATOM 1460 C GLN B 32 21.271 -3.996 2.287 1.00 0.00 C ATOM 1461 O GLN B 32 21.169 -4.974 1.590 1.00 0.00 O ATOM 1462 CB GLN B 32 22.940 -2.332 1.414 1.00 0.00 C ATOM 1463 CG GLN B 32 23.297 -2.777 -0.004 1.00 0.00 C ATOM 1464 CD GLN B 32 24.052 -1.655 -0.707 1.00 0.00 C ATOM 1465 OE1 GLN B 32 24.996 -1.110 -0.171 1.00 0.00 O ATOM 1466 NE2 GLN B 32 23.674 -1.284 -1.895 1.00 0.00 N ATOM 0 H GLN B 32 21.680 -0.791 2.753 1.00 0.00 H new ATOM 0 HA GLN B 32 20.880 -2.598 0.750 1.00 0.00 H new ATOM 0 HB2 GLN B 32 23.147 -1.269 1.537 1.00 0.00 H new ATOM 0 HB3 GLN B 32 23.556 -2.863 2.140 1.00 0.00 H new ATOM 0 HG2 GLN B 32 23.909 -3.679 0.028 1.00 0.00 H new ATOM 0 HG3 GLN B 32 22.392 -3.026 -0.559 1.00 0.00 H new ATOM 0 HE21 GLN B 32 22.881 -1.742 -2.344 1.00 0.00 H new ATOM 0 HE22 GLN B 32 24.170 -0.535 -2.377 1.00 0.00 H new ATOM 1475 N GLU B 33 21.191 -4.095 3.580 1.00 0.00 N ATOM 1476 CA GLU B 33 20.971 -5.435 4.180 1.00 0.00 C ATOM 1477 C GLU B 33 19.620 -5.950 3.702 1.00 0.00 C ATOM 1478 O GLU B 33 19.390 -7.137 3.588 1.00 0.00 O ATOM 1479 CB GLU B 33 20.951 -5.217 5.687 1.00 0.00 C ATOM 1480 CG GLU B 33 22.130 -4.333 6.098 1.00 0.00 C ATOM 1481 CD GLU B 33 22.646 -4.775 7.469 1.00 0.00 C ATOM 1482 OE1 GLU B 33 22.682 -5.972 7.709 1.00 0.00 O ATOM 1483 OE2 GLU B 33 22.997 -3.911 8.256 1.00 0.00 O ATOM 0 H GLU B 33 21.267 -3.320 4.239 1.00 0.00 H new ATOM 0 HA GLU B 33 21.739 -6.157 3.903 1.00 0.00 H new ATOM 0 HB2 GLU B 33 20.013 -4.749 5.984 1.00 0.00 H new ATOM 0 HB3 GLU B 33 21.006 -6.175 6.203 1.00 0.00 H new ATOM 0 HG2 GLU B 33 22.927 -4.404 5.358 1.00 0.00 H new ATOM 0 HG3 GLU B 33 21.820 -3.289 6.134 1.00 0.00 H new ATOM 1490 N VAL B 34 18.732 -5.045 3.407 1.00 0.00 N ATOM 1491 CA VAL B 34 17.391 -5.442 2.917 1.00 0.00 C ATOM 1492 C VAL B 34 17.488 -5.782 1.426 1.00 0.00 C ATOM 1493 O VAL B 34 16.931 -6.758 0.967 1.00 0.00 O ATOM 1494 CB VAL B 34 16.504 -4.220 3.210 1.00 0.00 C ATOM 1495 CG1 VAL B 34 15.537 -3.962 2.054 1.00 0.00 C ATOM 1496 CG2 VAL B 34 15.709 -4.489 4.489 1.00 0.00 C ATOM 0 H VAL B 34 18.882 -4.039 3.486 1.00 0.00 H new ATOM 0 HA VAL B 34 16.977 -6.330 3.395 1.00 0.00 H new ATOM 0 HB VAL B 34 17.136 -3.340 3.331 1.00 0.00 H new ATOM 0 HG11 VAL B 34 14.920 -3.093 2.283 1.00 0.00 H new ATOM 0 HG12 VAL B 34 16.103 -3.775 1.141 1.00 0.00 H new ATOM 0 HG13 VAL B 34 14.898 -4.834 1.912 1.00 0.00 H new ATOM 0 HG21 VAL B 34 15.075 -3.631 4.710 1.00 0.00 H new ATOM 0 HG22 VAL B 34 15.087 -5.374 4.352 1.00 0.00 H new ATOM 0 HG23 VAL B 34 16.398 -4.654 5.318 1.00 0.00 H new ATOM 1506 N ARG B 35 18.226 -5.014 0.673 1.00 0.00 N ATOM 1507 CA ARG B 35 18.392 -5.336 -0.768 1.00 0.00 C ATOM 1508 C ARG B 35 19.402 -6.471 -0.882 1.00 0.00 C ATOM 1509 O ARG B 35 19.199 -7.438 -1.590 1.00 0.00 O ATOM 1510 CB ARG B 35 18.951 -4.075 -1.383 1.00 0.00 C ATOM 1511 CG ARG B 35 17.940 -3.474 -2.356 1.00 0.00 C ATOM 1512 CD ARG B 35 18.698 -2.881 -3.535 1.00 0.00 C ATOM 1513 NE ARG B 35 17.659 -2.584 -4.559 1.00 0.00 N ATOM 1514 CZ ARG B 35 17.948 -1.824 -5.580 1.00 0.00 C ATOM 1515 NH1 ARG B 35 19.081 -1.174 -5.614 1.00 0.00 N ATOM 1516 NH2 ARG B 35 17.105 -1.717 -6.570 1.00 0.00 N ATOM 0 H ARG B 35 18.719 -4.181 0.994 1.00 0.00 H new ATOM 0 HA ARG B 35 17.468 -5.644 -1.257 1.00 0.00 H new ATOM 0 HB2 ARG B 35 19.188 -3.354 -0.601 1.00 0.00 H new ATOM 0 HB3 ARG B 35 19.882 -4.297 -1.905 1.00 0.00 H new ATOM 0 HG2 ARG B 35 17.244 -4.239 -2.699 1.00 0.00 H new ATOM 0 HG3 ARG B 35 17.348 -2.704 -1.860 1.00 0.00 H new ATOM 0 HD2 ARG B 35 19.234 -1.977 -3.244 1.00 0.00 H new ATOM 0 HD3 ARG B 35 19.440 -3.582 -3.919 1.00 0.00 H new ATOM 0 HE ARG B 35 16.722 -2.974 -4.463 1.00 0.00 H new ATOM 0 HH11 ARG B 35 19.742 -1.260 -4.842 1.00 0.00 H new ATOM 0 HH12 ARG B 35 19.305 -0.581 -6.413 1.00 0.00 H new ATOM 0 HH21 ARG B 35 16.222 -2.227 -6.545 1.00 0.00 H new ATOM 0 HH22 ARG B 35 17.329 -1.124 -7.369 1.00 0.00 H new ATOM 1530 N ASP B 36 20.475 -6.379 -0.138 1.00 0.00 N ATOM 1531 CA ASP B 36 21.476 -7.471 -0.149 1.00 0.00 C ATOM 1532 C ASP B 36 20.724 -8.732 0.224 1.00 0.00 C ATOM 1533 O ASP B 36 21.045 -9.830 -0.182 1.00 0.00 O ATOM 1534 CB ASP B 36 22.498 -7.106 0.932 1.00 0.00 C ATOM 1535 CG ASP B 36 23.757 -7.956 0.754 1.00 0.00 C ATOM 1536 OD1 ASP B 36 24.497 -7.694 -0.179 1.00 0.00 O ATOM 1537 OD2 ASP B 36 23.957 -8.856 1.554 1.00 0.00 O ATOM 0 H ASP B 36 20.695 -5.593 0.474 1.00 0.00 H new ATOM 0 HA ASP B 36 21.979 -7.614 -1.105 1.00 0.00 H new ATOM 0 HB2 ASP B 36 22.749 -6.047 0.867 1.00 0.00 H new ATOM 0 HB3 ASP B 36 22.071 -7.272 1.921 1.00 0.00 H new ATOM 1542 N TYR B 37 19.677 -8.537 0.970 1.00 0.00 N ATOM 1543 CA TYR B 37 18.803 -9.637 1.379 1.00 0.00 C ATOM 1544 C TYR B 37 17.899 -9.957 0.196 1.00 0.00 C ATOM 1545 O TYR B 37 17.813 -11.075 -0.262 1.00 0.00 O ATOM 1546 CB TYR B 37 18.012 -9.056 2.548 1.00 0.00 C ATOM 1547 CG TYR B 37 16.699 -9.767 2.627 1.00 0.00 C ATOM 1548 CD1 TYR B 37 15.667 -9.369 1.781 1.00 0.00 C ATOM 1549 CD2 TYR B 37 16.535 -10.857 3.483 1.00 0.00 C ATOM 1550 CE1 TYR B 37 14.462 -10.054 1.785 1.00 0.00 C ATOM 1551 CE2 TYR B 37 15.328 -11.557 3.484 1.00 0.00 C ATOM 1552 CZ TYR B 37 14.292 -11.160 2.636 1.00 0.00 C ATOM 1553 OH TYR B 37 13.106 -11.869 2.634 1.00 0.00 O ATOM 0 H TYR B 37 19.391 -7.622 1.319 1.00 0.00 H new ATOM 0 HA TYR B 37 19.315 -10.555 1.668 1.00 0.00 H new ATOM 0 HB2 TYR B 37 18.566 -9.177 3.479 1.00 0.00 H new ATOM 0 HB3 TYR B 37 17.857 -7.986 2.407 1.00 0.00 H new ATOM 0 HD1 TYR B 37 15.806 -8.526 1.121 1.00 0.00 H new ATOM 0 HD2 TYR B 37 17.337 -11.157 4.141 1.00 0.00 H new ATOM 0 HE1 TYR B 37 13.657 -9.739 1.137 1.00 0.00 H new ATOM 0 HE2 TYR B 37 15.195 -12.405 4.140 1.00 0.00 H new ATOM 0 HH TYR B 37 12.744 -11.904 3.544 1.00 0.00 H new ATOM 1563 N CYS B 38 17.249 -8.955 -0.313 1.00 0.00 N ATOM 1564 CA CYS B 38 16.353 -9.141 -1.475 1.00 0.00 C ATOM 1565 C CYS B 38 17.095 -9.898 -2.577 1.00 0.00 C ATOM 1566 O CYS B 38 16.619 -10.888 -3.091 1.00 0.00 O ATOM 1567 CB CYS B 38 16.018 -7.713 -1.892 1.00 0.00 C ATOM 1568 SG CYS B 38 14.664 -7.706 -3.081 1.00 0.00 S ATOM 0 H CYS B 38 17.303 -7.998 0.035 1.00 0.00 H new ATOM 0 HA CYS B 38 15.457 -9.724 -1.261 1.00 0.00 H new ATOM 0 HB2 CYS B 38 15.743 -7.126 -1.015 1.00 0.00 H new ATOM 0 HB3 CYS B 38 16.897 -7.240 -2.330 1.00 0.00 H new ATOM 0 HG CYS B 38 14.190 -8.910 -3.206 1.00 0.00 H new ATOM 1574 N GLU B 39 18.273 -9.466 -2.918 1.00 0.00 N ATOM 1575 CA GLU B 39 19.050 -10.194 -3.950 1.00 0.00 C ATOM 1576 C GLU B 39 19.581 -11.477 -3.325 1.00 0.00 C ATOM 1577 O GLU B 39 20.054 -12.364 -4.010 1.00 0.00 O ATOM 1578 CB GLU B 39 20.197 -9.260 -4.315 1.00 0.00 C ATOM 1579 CG GLU B 39 20.919 -8.852 -3.032 1.00 0.00 C ATOM 1580 CD GLU B 39 22.377 -9.315 -3.093 1.00 0.00 C ATOM 1581 OE1 GLU B 39 23.195 -8.563 -3.595 1.00 0.00 O ATOM 1582 OE2 GLU B 39 22.649 -10.412 -2.634 1.00 0.00 O ATOM 0 H GLU B 39 18.730 -8.642 -2.527 1.00 0.00 H new ATOM 0 HA GLU B 39 18.464 -10.459 -4.830 1.00 0.00 H new ATOM 0 HB2 GLU B 39 20.888 -9.757 -4.996 1.00 0.00 H new ATOM 0 HB3 GLU B 39 19.818 -8.379 -4.832 1.00 0.00 H new ATOM 0 HG2 GLU B 39 20.876 -7.770 -2.907 1.00 0.00 H new ATOM 0 HG3 GLU B 39 20.423 -9.293 -2.168 1.00 0.00 H new ATOM 1589 N LYS B 40 19.453 -11.614 -2.028 1.00 0.00 N ATOM 1590 CA LYS B 40 19.894 -12.870 -1.390 1.00 0.00 C ATOM 1591 C LYS B 40 18.712 -13.798 -1.488 1.00 0.00 C ATOM 1592 O LYS B 40 18.822 -14.998 -1.631 1.00 0.00 O ATOM 1593 CB LYS B 40 20.182 -12.552 0.076 1.00 0.00 C ATOM 1594 CG LYS B 40 20.488 -13.852 0.819 1.00 0.00 C ATOM 1595 CD LYS B 40 21.110 -13.515 2.171 1.00 0.00 C ATOM 1596 CE LYS B 40 20.343 -14.235 3.282 1.00 0.00 C ATOM 1597 NZ LYS B 40 21.123 -13.970 4.523 1.00 0.00 N ATOM 0 H LYS B 40 19.065 -10.912 -1.398 1.00 0.00 H new ATOM 0 HA LYS B 40 20.781 -13.309 -1.848 1.00 0.00 H new ATOM 0 HB2 LYS B 40 21.026 -11.867 0.153 1.00 0.00 H new ATOM 0 HB3 LYS B 40 19.325 -12.053 0.528 1.00 0.00 H new ATOM 0 HG2 LYS B 40 19.575 -14.430 0.958 1.00 0.00 H new ATOM 0 HG3 LYS B 40 21.170 -14.469 0.234 1.00 0.00 H new ATOM 0 HD2 LYS B 40 22.158 -13.815 2.185 1.00 0.00 H new ATOM 0 HD3 LYS B 40 21.084 -12.438 2.336 1.00 0.00 H new ATOM 0 HE2 LYS B 40 19.324 -13.856 3.368 1.00 0.00 H new ATOM 0 HE3 LYS B 40 20.270 -15.304 3.082 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 20.659 -14.433 5.330 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 22.086 -14.347 4.415 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 21.170 -12.945 4.691 1.00 0.00 H new ATOM 1611 N LYS B 41 17.564 -13.192 -1.427 1.00 0.00 N ATOM 1612 CA LYS B 41 16.304 -13.931 -1.528 1.00 0.00 C ATOM 1613 C LYS B 41 16.179 -14.437 -2.936 1.00 0.00 C ATOM 1614 O LYS B 41 16.088 -15.616 -3.213 1.00 0.00 O ATOM 1615 CB LYS B 41 15.237 -12.877 -1.337 1.00 0.00 C ATOM 1616 CG LYS B 41 15.385 -12.110 -0.041 1.00 0.00 C ATOM 1617 CD LYS B 41 16.167 -12.921 0.979 1.00 0.00 C ATOM 1618 CE LYS B 41 15.224 -13.918 1.639 1.00 0.00 C ATOM 1619 NZ LYS B 41 16.110 -14.888 2.340 1.00 0.00 N ATOM 0 H LYS B 41 17.455 -12.185 -1.308 1.00 0.00 H new ATOM 0 HA LYS B 41 16.236 -14.756 -0.819 1.00 0.00 H new ATOM 0 HB2 LYS B 41 15.272 -12.177 -2.172 1.00 0.00 H new ATOM 0 HB3 LYS B 41 14.257 -13.353 -1.361 1.00 0.00 H new ATOM 0 HG2 LYS B 41 15.894 -11.165 -0.229 1.00 0.00 H new ATOM 0 HG3 LYS B 41 14.400 -11.868 0.358 1.00 0.00 H new ATOM 0 HD2 LYS B 41 16.991 -13.445 0.494 1.00 0.00 H new ATOM 0 HD3 LYS B 41 16.606 -12.263 1.729 1.00 0.00 H new ATOM 0 HE2 LYS B 41 14.553 -13.421 2.339 1.00 0.00 H new ATOM 0 HE3 LYS B 41 14.599 -14.419 0.899 1.00 0.00 H new ATOM 0 HZ1 LYS B 41 15.529 -15.606 2.818 1.00 0.00 H new ATOM 0 HZ2 LYS B 41 16.733 -15.352 1.648 1.00 0.00 H new ATOM 0 HZ3 LYS B 41 16.688 -14.385 3.044 1.00 0.00 H new ATOM 1633 N GLY B 42 16.207 -13.497 -3.828 1.00 0.00 N ATOM 1634 CA GLY B 42 16.126 -13.819 -5.255 1.00 0.00 C ATOM 1635 C GLY B 42 15.232 -12.849 -6.025 1.00 0.00 C ATOM 1636 O GLY B 42 14.328 -13.238 -6.730 1.00 0.00 O ATOM 0 H GLY B 42 16.284 -12.502 -3.616 1.00 0.00 H new ATOM 0 HA2 GLY B 42 17.128 -13.804 -5.685 1.00 0.00 H new ATOM 0 HA3 GLY B 42 15.743 -14.833 -5.374 1.00 0.00 H new ATOM 1640 N TRP B 43 15.533 -11.589 -5.946 1.00 0.00 N ATOM 1641 CA TRP B 43 14.775 -10.586 -6.745 1.00 0.00 C ATOM 1642 C TRP B 43 15.826 -9.879 -7.497 1.00 0.00 C ATOM 1643 O TRP B 43 15.810 -9.708 -8.699 1.00 0.00 O ATOM 1644 CB TRP B 43 14.128 -9.517 -5.874 1.00 0.00 C ATOM 1645 CG TRP B 43 13.600 -10.025 -4.590 1.00 0.00 C ATOM 1646 CD1 TRP B 43 14.126 -11.028 -3.887 1.00 0.00 C ATOM 1647 CD2 TRP B 43 12.487 -9.522 -3.790 1.00 0.00 C ATOM 1648 NE1 TRP B 43 13.419 -11.193 -2.763 1.00 0.00 N ATOM 1649 CE2 TRP B 43 12.418 -10.298 -2.626 1.00 0.00 C ATOM 1650 CE3 TRP B 43 11.546 -8.493 -3.947 1.00 0.00 C ATOM 1651 CZ2 TRP B 43 11.483 -10.088 -1.640 1.00 0.00 C ATOM 1652 CZ3 TRP B 43 10.586 -8.263 -2.952 1.00 0.00 C ATOM 1653 CH2 TRP B 43 10.556 -9.056 -1.791 1.00 0.00 C ATOM 0 H TRP B 43 16.275 -11.205 -5.360 1.00 0.00 H new ATOM 0 HA TRP B 43 13.998 -11.081 -7.327 1.00 0.00 H new ATOM 0 HB2 TRP B 43 14.861 -8.737 -5.670 1.00 0.00 H new ATOM 0 HB3 TRP B 43 13.314 -9.052 -6.431 1.00 0.00 H new ATOM 0 HD1 TRP B 43 14.985 -11.614 -4.178 1.00 0.00 H new ATOM 0 HE1 TRP B 43 13.617 -11.922 -2.078 1.00 0.00 H new ATOM 0 HE3 TRP B 43 11.561 -7.878 -4.835 1.00 0.00 H new ATOM 0 HZ2 TRP B 43 11.466 -10.714 -0.760 1.00 0.00 H new ATOM 0 HZ3 TRP B 43 9.863 -7.470 -3.078 1.00 0.00 H new ATOM 0 HH2 TRP B 43 9.821 -8.868 -1.022 1.00 0.00 H new ATOM 1664 N ILE B 44 16.787 -9.526 -6.713 1.00 0.00 N ATOM 1665 CA ILE B 44 18.001 -8.856 -7.175 1.00 0.00 C ATOM 1666 C ILE B 44 17.790 -7.363 -7.310 1.00 0.00 C ATOM 1667 O ILE B 44 18.571 -6.661 -7.920 1.00 0.00 O ATOM 1668 CB ILE B 44 18.342 -9.446 -8.522 1.00 0.00 C ATOM 1669 CG1 ILE B 44 18.135 -10.957 -8.510 1.00 0.00 C ATOM 1670 CG2 ILE B 44 19.808 -9.134 -8.810 1.00 0.00 C ATOM 1671 CD1 ILE B 44 17.572 -11.388 -9.862 1.00 0.00 C ATOM 0 H ILE B 44 16.771 -9.689 -5.706 1.00 0.00 H new ATOM 0 HA ILE B 44 18.806 -9.004 -6.455 1.00 0.00 H new ATOM 0 HB ILE B 44 17.696 -9.019 -9.289 1.00 0.00 H new ATOM 0 HG12 ILE B 44 19.079 -11.466 -8.315 1.00 0.00 H new ATOM 0 HG13 ILE B 44 17.451 -11.238 -7.709 1.00 0.00 H new ATOM 0 HG21 ILE B 44 20.085 -9.549 -9.779 1.00 0.00 H new ATOM 0 HG22 ILE B 44 19.955 -8.054 -8.822 1.00 0.00 H new ATOM 0 HG23 ILE B 44 20.433 -9.576 -8.034 1.00 0.00 H new ATOM 0 HD11 ILE B 44 17.420 -12.467 -9.865 1.00 0.00 H new ATOM 0 HD12 ILE B 44 16.620 -10.887 -10.036 1.00 0.00 H new ATOM 0 HD13 ILE B 44 18.274 -11.118 -10.651 1.00 0.00 H new ATOM 1683 N VAL B 45 16.725 -6.906 -6.757 1.00 0.00 N ATOM 1684 CA VAL B 45 16.368 -5.463 -6.822 1.00 0.00 C ATOM 1685 C VAL B 45 17.618 -4.577 -6.946 1.00 0.00 C ATOM 1686 O VAL B 45 18.360 -4.396 -6.002 1.00 0.00 O ATOM 1687 CB VAL B 45 15.651 -5.207 -5.505 1.00 0.00 C ATOM 1688 CG1 VAL B 45 14.280 -5.890 -5.517 1.00 0.00 C ATOM 1689 CG2 VAL B 45 16.493 -5.755 -4.348 1.00 0.00 C ATOM 0 H VAL B 45 16.058 -7.482 -6.243 1.00 0.00 H new ATOM 0 HA VAL B 45 15.757 -5.226 -7.693 1.00 0.00 H new ATOM 0 HB VAL B 45 15.512 -4.134 -5.374 1.00 0.00 H new ATOM 0 HG11 VAL B 45 13.772 -5.703 -4.571 1.00 0.00 H new ATOM 0 HG12 VAL B 45 13.682 -5.490 -6.336 1.00 0.00 H new ATOM 0 HG13 VAL B 45 14.410 -6.964 -5.653 1.00 0.00 H new ATOM 0 HG21 VAL B 45 15.979 -5.571 -3.405 1.00 0.00 H new ATOM 0 HG22 VAL B 45 16.638 -6.827 -4.479 1.00 0.00 H new ATOM 0 HG23 VAL B 45 17.462 -5.257 -4.336 1.00 0.00 H new ATOM 1699 N ASN B 46 17.854 -4.027 -8.110 1.00 0.00 N ATOM 1700 CA ASN B 46 19.055 -3.158 -8.296 1.00 0.00 C ATOM 1701 C ASN B 46 19.014 -2.473 -9.669 1.00 0.00 C ATOM 1702 O ASN B 46 19.310 -3.077 -10.681 1.00 0.00 O ATOM 1703 CB ASN B 46 20.249 -4.112 -8.207 1.00 0.00 C ATOM 1704 CG ASN B 46 21.487 -3.450 -8.819 1.00 0.00 C ATOM 1705 OD1 ASN B 46 21.560 -2.241 -8.916 1.00 0.00 O ATOM 1706 ND2 ASN B 46 22.469 -4.199 -9.243 1.00 0.00 N ATOM 0 H ASN B 46 17.269 -4.142 -8.937 1.00 0.00 H new ATOM 0 HA ASN B 46 19.108 -2.364 -7.551 1.00 0.00 H new ATOM 0 HB2 ASN B 46 20.441 -4.373 -7.166 1.00 0.00 H new ATOM 0 HB3 ASN B 46 20.025 -5.041 -8.732 1.00 0.00 H new ATOM 0 HD21 ASN B 46 23.297 -3.769 -9.655 1.00 0.00 H new ATOM 0 HD22 ASN B 46 22.408 -5.214 -9.162 1.00 0.00 H new ATOM 1713 N ILE B 47 18.660 -1.215 -9.711 1.00 0.00 N ATOM 1714 CA ILE B 47 18.612 -0.499 -11.020 1.00 0.00 C ATOM 1715 C ILE B 47 19.627 0.650 -11.033 1.00 0.00 C ATOM 1716 O ILE B 47 19.643 1.484 -10.149 1.00 0.00 O ATOM 1717 CB ILE B 47 17.183 0.040 -11.135 1.00 0.00 C ATOM 1718 CG1 ILE B 47 16.898 0.405 -12.594 1.00 0.00 C ATOM 1719 CG2 ILE B 47 17.026 1.287 -10.260 1.00 0.00 C ATOM 1720 CD1 ILE B 47 17.848 1.520 -13.036 1.00 0.00 C ATOM 0 H ILE B 47 18.403 -0.654 -8.899 1.00 0.00 H new ATOM 0 HA ILE B 47 18.863 -1.153 -11.855 1.00 0.00 H new ATOM 0 HB ILE B 47 16.481 -0.724 -10.801 1.00 0.00 H new ATOM 0 HG12 ILE B 47 17.026 -0.470 -13.231 1.00 0.00 H new ATOM 0 HG13 ILE B 47 15.863 0.730 -12.703 1.00 0.00 H new ATOM 0 HG21 ILE B 47 16.008 1.666 -10.346 1.00 0.00 H new ATOM 0 HG22 ILE B 47 17.231 1.030 -9.221 1.00 0.00 H new ATOM 0 HG23 ILE B 47 17.727 2.054 -10.590 1.00 0.00 H new ATOM 0 HD11 ILE B 47 17.645 1.780 -14.075 1.00 0.00 H new ATOM 0 HD12 ILE B 47 17.698 2.397 -12.406 1.00 0.00 H new ATOM 0 HD13 ILE B 47 18.879 1.178 -12.942 1.00 0.00 H new ATOM 1732 N THR B 48 20.473 0.702 -12.026 1.00 0.00 N ATOM 1733 CA THR B 48 21.483 1.798 -12.088 1.00 0.00 C ATOM 1734 C THR B 48 21.763 2.180 -13.545 1.00 0.00 C ATOM 1735 O THR B 48 21.596 1.384 -14.448 1.00 0.00 O ATOM 1736 CB THR B 48 22.739 1.216 -11.436 1.00 0.00 C ATOM 1737 OG1 THR B 48 22.366 0.181 -10.539 1.00 0.00 O ATOM 1738 CG2 THR B 48 23.477 2.316 -10.672 1.00 0.00 C ATOM 0 H THR B 48 20.509 0.034 -12.796 1.00 0.00 H new ATOM 0 HA THR B 48 21.142 2.702 -11.583 1.00 0.00 H new ATOM 0 HB THR B 48 23.395 0.811 -12.206 1.00 0.00 H new ATOM 0 HG1 THR B 48 23.169 -0.195 -10.121 1.00 0.00 H new ATOM 0 HG21 THR B 48 24.371 1.900 -10.208 1.00 0.00 H new ATOM 0 HG22 THR B 48 23.762 3.110 -11.362 1.00 0.00 H new ATOM 0 HG23 THR B 48 22.824 2.724 -9.900 1.00 0.00 H new ATOM 1746 N SER B 49 22.187 3.392 -13.779 1.00 0.00 N ATOM 1747 CA SER B 49 22.477 3.825 -15.178 1.00 0.00 C ATOM 1748 C SER B 49 23.896 3.409 -15.575 1.00 0.00 C ATOM 1749 O SER B 49 24.573 2.709 -14.850 1.00 0.00 O ATOM 1750 CB SER B 49 22.351 5.348 -15.155 1.00 0.00 C ATOM 1751 OG SER B 49 21.326 5.748 -16.056 1.00 0.00 O ATOM 0 H SER B 49 22.345 4.101 -13.063 1.00 0.00 H new ATOM 0 HA SER B 49 21.799 3.371 -15.901 1.00 0.00 H new ATOM 0 HB2 SER B 49 22.119 5.690 -14.147 1.00 0.00 H new ATOM 0 HB3 SER B 49 23.299 5.807 -15.437 1.00 0.00 H new ATOM 0 HG SER B 49 21.241 6.724 -16.043 1.00 0.00 H new ATOM 1757 N GLN B 50 24.351 3.837 -16.721 1.00 0.00 N ATOM 1758 CA GLN B 50 25.726 3.464 -17.159 1.00 0.00 C ATOM 1759 C GLN B 50 26.768 4.186 -16.300 1.00 0.00 C ATOM 1760 O GLN B 50 27.594 4.924 -16.799 1.00 0.00 O ATOM 1761 CB GLN B 50 25.820 3.924 -18.613 1.00 0.00 C ATOM 1762 CG GLN B 50 25.393 5.386 -18.708 1.00 0.00 C ATOM 1763 CD GLN B 50 26.140 6.061 -19.860 1.00 0.00 C ATOM 1764 OE1 GLN B 50 25.622 6.171 -20.953 1.00 0.00 O ATOM 1765 NE2 GLN B 50 27.345 6.520 -19.659 1.00 0.00 N ATOM 0 H GLN B 50 23.832 4.427 -17.371 1.00 0.00 H new ATOM 0 HA GLN B 50 25.915 2.395 -17.058 1.00 0.00 H new ATOM 0 HB2 GLN B 50 26.840 3.807 -18.978 1.00 0.00 H new ATOM 0 HB3 GLN B 50 25.182 3.305 -19.244 1.00 0.00 H new ATOM 0 HG2 GLN B 50 24.317 5.452 -18.870 1.00 0.00 H new ATOM 0 HG3 GLN B 50 25.607 5.900 -17.771 1.00 0.00 H new ATOM 0 HE21 GLN B 50 27.779 6.427 -18.741 1.00 0.00 H new ATOM 0 HE22 GLN B 50 27.852 6.971 -20.420 1.00 0.00 H new ATOM 1774 N VAL B 51 26.736 3.978 -15.012 1.00 0.00 N ATOM 1775 CA VAL B 51 27.725 4.653 -14.124 1.00 0.00 C ATOM 1776 C VAL B 51 28.898 3.713 -13.831 1.00 0.00 C ATOM 1777 O VAL B 51 29.283 3.520 -12.694 1.00 0.00 O ATOM 1778 CB VAL B 51 26.956 4.976 -12.842 1.00 0.00 C ATOM 1779 CG1 VAL B 51 26.742 3.695 -12.035 1.00 0.00 C ATOM 1780 CG2 VAL B 51 27.757 5.977 -12.008 1.00 0.00 C ATOM 0 H VAL B 51 26.069 3.371 -14.537 1.00 0.00 H new ATOM 0 HA VAL B 51 28.145 5.550 -14.579 1.00 0.00 H new ATOM 0 HB VAL B 51 25.988 5.407 -13.098 1.00 0.00 H new ATOM 0 HG11 VAL B 51 26.194 3.927 -11.122 1.00 0.00 H new ATOM 0 HG12 VAL B 51 26.171 2.982 -12.629 1.00 0.00 H new ATOM 0 HG13 VAL B 51 27.708 3.261 -11.778 1.00 0.00 H new ATOM 0 HG21 VAL B 51 27.210 6.209 -11.094 1.00 0.00 H new ATOM 0 HG22 VAL B 51 28.725 5.546 -11.753 1.00 0.00 H new ATOM 0 HG23 VAL B 51 27.907 6.891 -12.582 1.00 0.00 H new ATOM 1790 N GLN B 52 29.468 3.128 -14.849 1.00 0.00 N ATOM 1791 CA GLN B 52 30.617 2.203 -14.636 1.00 0.00 C ATOM 1792 C GLN B 52 30.160 0.940 -13.899 1.00 0.00 C ATOM 1793 O GLN B 52 29.977 0.940 -12.698 1.00 0.00 O ATOM 1794 CB GLN B 52 31.612 2.989 -13.783 1.00 0.00 C ATOM 1795 CG GLN B 52 32.932 3.134 -14.542 1.00 0.00 C ATOM 1796 CD GLN B 52 33.970 3.802 -13.639 1.00 0.00 C ATOM 1797 OE1 GLN B 52 33.817 4.947 -13.261 1.00 0.00 O ATOM 1798 NE2 GLN B 52 35.028 3.132 -13.274 1.00 0.00 N ATOM 0 H GLN B 52 29.187 3.251 -15.822 1.00 0.00 H new ATOM 0 HA GLN B 52 31.057 1.876 -15.578 1.00 0.00 H new ATOM 0 HB2 GLN B 52 31.207 3.973 -13.546 1.00 0.00 H new ATOM 0 HB3 GLN B 52 31.779 2.477 -12.836 1.00 0.00 H new ATOM 0 HG2 GLN B 52 33.289 2.155 -14.862 1.00 0.00 H new ATOM 0 HG3 GLN B 52 32.782 3.729 -15.443 1.00 0.00 H new ATOM 0 HE21 GLN B 52 35.157 2.171 -13.591 1.00 0.00 H new ATOM 0 HE22 GLN B 52 35.726 3.569 -12.672 1.00 0.00 H new ATOM 1807 N THR B 53 29.980 -0.139 -14.613 1.00 0.00 N ATOM 1808 CA THR B 53 29.543 -1.406 -13.959 1.00 0.00 C ATOM 1809 C THR B 53 30.464 -2.554 -14.388 1.00 0.00 C ATOM 1810 O THR B 53 31.120 -3.173 -13.575 1.00 0.00 O ATOM 1811 CB THR B 53 28.118 -1.643 -14.462 1.00 0.00 C ATOM 1812 OG1 THR B 53 28.147 -1.930 -15.853 1.00 0.00 O ATOM 1813 CG2 THR B 53 27.272 -0.392 -14.214 1.00 0.00 C ATOM 0 H THR B 53 30.117 -0.197 -15.622 1.00 0.00 H new ATOM 0 HA THR B 53 29.582 -1.350 -12.871 1.00 0.00 H new ATOM 0 HB THR B 53 27.681 -2.486 -13.927 1.00 0.00 H new ATOM 0 HG1 THR B 53 27.234 -2.083 -16.174 1.00 0.00 H new ATOM 0 HG21 THR B 53 26.257 -0.562 -14.573 1.00 0.00 H new ATOM 0 HG22 THR B 53 27.248 -0.175 -13.146 1.00 0.00 H new ATOM 0 HG23 THR B 53 27.708 0.453 -14.746 1.00 0.00 H new ATOM 1821 N GLU B 54 30.523 -2.830 -15.662 1.00 0.00 N ATOM 1822 CA GLU B 54 31.408 -3.926 -16.154 1.00 0.00 C ATOM 1823 C GLU B 54 31.079 -5.244 -15.447 1.00 0.00 C ATOM 1824 O GLU B 54 30.137 -5.336 -14.684 1.00 0.00 O ATOM 1825 CB GLU B 54 32.824 -3.474 -15.800 1.00 0.00 C ATOM 1826 CG GLU B 54 33.764 -3.772 -16.969 1.00 0.00 C ATOM 1827 CD GLU B 54 35.100 -3.064 -16.740 1.00 0.00 C ATOM 1828 OE1 GLU B 54 35.079 -1.877 -16.460 1.00 0.00 O ATOM 1829 OE2 GLU B 54 36.122 -3.722 -16.847 1.00 0.00 O ATOM 0 H GLU B 54 29.995 -2.343 -16.386 1.00 0.00 H new ATOM 0 HA GLU B 54 31.284 -4.103 -17.222 1.00 0.00 H new ATOM 0 HB2 GLU B 54 32.831 -2.407 -15.577 1.00 0.00 H new ATOM 0 HB3 GLU B 54 33.168 -3.989 -14.903 1.00 0.00 H new ATOM 0 HG2 GLU B 54 33.920 -4.847 -17.059 1.00 0.00 H new ATOM 0 HG3 GLU B 54 33.317 -3.435 -17.904 1.00 0.00 H new ATOM 1836 N ARG B 55 31.855 -6.266 -15.695 1.00 0.00 N ATOM 1837 CA ARG B 55 31.598 -7.581 -15.040 1.00 0.00 C ATOM 1838 C ARG B 55 30.288 -8.185 -15.553 1.00 0.00 C ATOM 1839 O ARG B 55 29.210 -7.739 -15.211 1.00 0.00 O ATOM 1840 CB ARG B 55 31.500 -7.270 -13.546 1.00 0.00 C ATOM 1841 CG ARG B 55 31.750 -8.547 -12.743 1.00 0.00 C ATOM 1842 CD ARG B 55 31.154 -8.395 -11.342 1.00 0.00 C ATOM 1843 NE ARG B 55 29.681 -8.469 -11.543 1.00 0.00 N ATOM 1844 CZ ARG B 55 28.899 -8.734 -10.533 1.00 0.00 C ATOM 1845 NH1 ARG B 55 28.811 -9.954 -10.078 1.00 0.00 N ATOM 1846 NH2 ARG B 55 28.202 -7.779 -9.978 1.00 0.00 N ATOM 0 H ARG B 55 32.657 -6.246 -16.324 1.00 0.00 H new ATOM 0 HA ARG B 55 32.383 -8.306 -15.253 1.00 0.00 H new ATOM 0 HB2 ARG B 55 32.230 -6.507 -13.274 1.00 0.00 H new ATOM 0 HB3 ARG B 55 30.515 -6.867 -13.311 1.00 0.00 H new ATOM 0 HG2 ARG B 55 31.301 -9.401 -13.250 1.00 0.00 H new ATOM 0 HG3 ARG B 55 32.820 -8.743 -12.675 1.00 0.00 H new ATOM 0 HD2 ARG B 55 31.502 -9.185 -10.677 1.00 0.00 H new ATOM 0 HD3 ARG B 55 31.444 -7.447 -10.890 1.00 0.00 H new ATOM 0 HE ARG B 55 29.284 -8.313 -12.469 1.00 0.00 H new ATOM 0 HH11 ARG B 55 29.354 -10.701 -10.512 1.00 0.00 H new ATOM 0 HH12 ARG B 55 28.200 -10.161 -9.288 1.00 0.00 H new ATOM 0 HH21 ARG B 55 28.269 -6.826 -10.334 1.00 0.00 H new ATOM 0 HH22 ARG B 55 27.591 -7.987 -9.188 1.00 0.00 H new ATOM 1860 N ASN B 56 30.375 -9.199 -16.370 1.00 0.00 N ATOM 1861 CA ASN B 56 29.137 -9.836 -16.904 1.00 0.00 C ATOM 1862 C ASN B 56 29.470 -11.187 -17.543 1.00 0.00 C ATOM 1863 O ASN B 56 28.758 -11.672 -18.400 1.00 0.00 O ATOM 1864 CB ASN B 56 28.609 -8.859 -17.955 1.00 0.00 C ATOM 1865 CG ASN B 56 27.269 -8.286 -17.491 1.00 0.00 C ATOM 1866 OD1 ASN B 56 26.228 -8.377 -18.274 1.00 0.00 O flip ATOM 1867 ND2 ASN B 56 27.167 -7.751 -16.406 1.00 0.00 N flip ATOM 0 H ASN B 56 31.250 -9.614 -16.691 1.00 0.00 H new ATOM 0 HA ASN B 56 28.402 -10.028 -16.123 1.00 0.00 H new ATOM 0 HB2 ASN B 56 29.327 -8.054 -18.111 1.00 0.00 H new ATOM 0 HB3 ASN B 56 28.488 -9.368 -18.911 1.00 0.00 H new ATOM 0 HD21 ASN B 56 27.980 -7.680 -15.794 1.00 0.00 H new ATOM 0 HD22 ASN B 56 26.268 -7.373 -16.106 1.00 0.00 H new ATOM 1874 N ILE B 57 30.545 -11.802 -17.129 1.00 0.00 N ATOM 1875 CA ILE B 57 30.920 -13.123 -17.708 1.00 0.00 C ATOM 1876 C ILE B 57 30.826 -14.210 -16.635 1.00 0.00 C ATOM 1877 O ILE B 57 31.810 -14.820 -16.266 1.00 0.00 O ATOM 1878 CB ILE B 57 32.363 -12.957 -18.181 1.00 0.00 C ATOM 1879 CG1 ILE B 57 32.806 -14.224 -18.917 1.00 0.00 C ATOM 1880 CG2 ILE B 57 33.273 -12.726 -16.975 1.00 0.00 C ATOM 1881 CD1 ILE B 57 33.697 -13.845 -20.101 1.00 0.00 C ATOM 0 H ILE B 57 31.180 -11.446 -16.414 1.00 0.00 H new ATOM 0 HA ILE B 57 30.260 -13.421 -18.523 1.00 0.00 H new ATOM 0 HB ILE B 57 32.428 -12.102 -18.854 1.00 0.00 H new ATOM 0 HG12 ILE B 57 33.348 -14.881 -18.237 1.00 0.00 H new ATOM 0 HG13 ILE B 57 31.934 -14.777 -19.267 1.00 0.00 H new ATOM 0 HG21 ILE B 57 34.302 -12.608 -17.313 1.00 0.00 H new ATOM 0 HG22 ILE B 57 32.958 -11.825 -16.449 1.00 0.00 H new ATOM 0 HG23 ILE B 57 33.208 -13.581 -16.301 1.00 0.00 H new ATOM 0 HD11 ILE B 57 34.011 -14.748 -20.624 1.00 0.00 H new ATOM 0 HD12 ILE B 57 33.140 -13.205 -20.785 1.00 0.00 H new ATOM 0 HD13 ILE B 57 34.576 -13.311 -19.739 1.00 0.00 H new ATOM 1893 N ASN B 58 29.648 -14.452 -16.129 1.00 0.00 N ATOM 1894 CA ASN B 58 29.487 -15.496 -15.076 1.00 0.00 C ATOM 1895 C ASN B 58 29.959 -16.856 -15.596 1.00 0.00 C ATOM 1896 O ASN B 58 30.088 -17.068 -16.784 1.00 0.00 O ATOM 1897 CB ASN B 58 27.988 -15.526 -14.780 1.00 0.00 C ATOM 1898 CG ASN B 58 27.209 -15.621 -16.092 1.00 0.00 C ATOM 1899 OD1 ASN B 58 26.730 -14.535 -16.632 1.00 0.00 O flip ATOM 1900 ND2 ASN B 58 27.035 -16.695 -16.633 1.00 0.00 N flip ATOM 0 H ASN B 58 28.789 -13.972 -16.399 1.00 0.00 H new ATOM 0 HA ASN B 58 30.077 -15.278 -14.186 1.00 0.00 H new ATOM 0 HB2 ASN B 58 27.750 -16.377 -14.141 1.00 0.00 H new ATOM 0 HB3 ASN B 58 27.696 -14.628 -14.236 1.00 0.00 H new ATOM 0 HD21 ASN B 58 27.409 -17.545 -16.211 1.00 0.00 H new ATOM 0 HD22 ASN B 58 26.515 -16.747 -17.509 1.00 0.00 H new ATOM 1907 N ARG B 59 30.214 -17.781 -14.710 1.00 0.00 N ATOM 1908 CA ARG B 59 30.676 -19.129 -15.147 1.00 0.00 C ATOM 1909 C ARG B 59 29.472 -20.015 -15.481 1.00 0.00 C ATOM 1910 O ARG B 59 28.848 -20.583 -14.608 1.00 0.00 O ATOM 1911 CB ARG B 59 31.442 -19.690 -13.949 1.00 0.00 C ATOM 1912 CG ARG B 59 32.843 -20.119 -14.390 1.00 0.00 C ATOM 1913 CD ARG B 59 33.830 -19.907 -13.240 1.00 0.00 C ATOM 1914 NE ARG B 59 34.456 -18.583 -13.511 1.00 0.00 N ATOM 1915 CZ ARG B 59 35.679 -18.519 -13.961 1.00 0.00 C ATOM 1916 NH1 ARG B 59 36.605 -19.278 -13.442 1.00 0.00 N ATOM 1917 NH2 ARG B 59 35.976 -17.696 -14.929 1.00 0.00 N ATOM 0 H ARG B 59 30.122 -17.661 -13.701 1.00 0.00 H new ATOM 0 HA ARG B 59 31.296 -19.086 -16.042 1.00 0.00 H new ATOM 0 HB2 ARG B 59 31.512 -18.937 -13.164 1.00 0.00 H new ATOM 0 HB3 ARG B 59 30.906 -20.541 -13.528 1.00 0.00 H new ATOM 0 HG2 ARG B 59 32.836 -21.167 -14.688 1.00 0.00 H new ATOM 0 HG3 ARG B 59 33.154 -19.542 -15.261 1.00 0.00 H new ATOM 0 HD2 ARG B 59 33.321 -19.913 -12.276 1.00 0.00 H new ATOM 0 HD3 ARG B 59 34.578 -20.699 -13.210 1.00 0.00 H new ATOM 0 HE ARG B 59 33.928 -17.726 -13.345 1.00 0.00 H new ATOM 0 HH11 ARG B 59 36.372 -19.921 -12.685 1.00 0.00 H new ATOM 0 HH12 ARG B 59 37.561 -19.228 -13.793 1.00 0.00 H new ATOM 0 HH21 ARG B 59 35.252 -17.103 -15.334 1.00 0.00 H new ATOM 0 HH22 ARG B 59 36.932 -17.646 -15.281 1.00 0.00 H new ATOM 1931 N ALA B 60 29.141 -20.136 -16.738 1.00 0.00 N ATOM 1932 CA ALA B 60 27.977 -20.984 -17.125 1.00 0.00 C ATOM 1933 C ALA B 60 28.157 -22.409 -16.594 1.00 0.00 C ATOM 1934 O ALA B 60 27.193 -23.158 -16.623 1.00 0.00 O ATOM 1935 CB ALA B 60 27.973 -20.978 -18.654 1.00 0.00 C ATOM 1936 OXT ALA B 60 29.255 -22.727 -16.168 1.00 0.00 O ATOM 0 H ALA B 60 29.626 -19.685 -17.514 1.00 0.00 H new ATOM 0 HA ALA B 60 27.040 -20.609 -16.713 1.00 0.00 H new ATOM 0 HB1 ALA B 60 27.142 -21.583 -19.018 1.00 0.00 H new ATOM 0 HB2 ALA B 60 27.862 -19.955 -19.014 1.00 0.00 H new ATOM 0 HB3 ALA B 60 28.912 -21.392 -19.022 1.00 0.00 H new TER 1942 ALA B 60