USER MOD reduce.3.24.130724 H: found=0, std=0, add=800, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 799 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 Single : A 4 LYS NZ :NH3+ -125:sc= 0 (180deg=-0.032) USER MOD Single : A 9 TYR OH : rot -173:sc= 0.147 USER MOD Single : A 10 GLN :FLIP amide:sc= 0.8 F(o=-0.46,f=0.8) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ -157:sc= 0 (180deg=-0.375) USER MOD Single : A 24 MET CE :methyl -130:sc= -0.0428 (180deg=-0.377) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : A 26 ASN : amide:sc= -0.284 K(o=-0.28,f=-2.7!) USER MOD Single : A 33 LYS NZ :NH3+ -109:sc= 0 (180deg=-0.117) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 MET CE :methyl 152:sc= -0.984 (180deg=-1.04) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HD1:sc= -2.88! X(o=-2.9!,f=-2.5) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot -85:sc= 1.91 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0214 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl -140:sc= -0.144 (180deg=-0.81) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 THR OG1 : rot 160:sc= -0.18 USER MOD Single : A 82 SER OG : rot 180:sc= -0.596 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 HIS : no HD1:sc= -0.115 X(o=-0.12,f=-0.44) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 34 N VAL A 3 -25.706 -13.061 6.189 1.00 0.00 N ATOM 35 CA VAL A 3 -25.347 -13.731 4.906 1.00 0.00 C ATOM 36 C VAL A 3 -23.828 -13.726 4.718 1.00 0.00 C ATOM 37 O VAL A 3 -23.237 -12.720 4.380 1.00 0.00 O ATOM 38 CB VAL A 3 -26.025 -12.898 3.820 1.00 0.00 C ATOM 39 CG1 VAL A 3 -25.608 -11.433 3.963 1.00 0.00 C ATOM 40 CG2 VAL A 3 -25.602 -13.415 2.444 1.00 0.00 C ATOM 0 HA VAL A 3 -25.668 -14.772 4.878 1.00 0.00 H new ATOM 0 HB VAL A 3 -27.107 -12.979 3.924 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -26.092 -10.839 3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -25.908 -11.063 4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -24.526 -11.351 3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -26.085 -12.821 1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -24.520 -13.334 2.342 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -25.899 -14.459 2.340 1.00 0.00 H new ATOM 50 N LYS A 4 -23.189 -14.843 4.935 1.00 0.00 N ATOM 51 CA LYS A 4 -21.709 -14.902 4.769 1.00 0.00 C ATOM 52 C LYS A 4 -21.350 -15.262 3.325 1.00 0.00 C ATOM 53 O LYS A 4 -21.880 -16.197 2.758 1.00 0.00 O ATOM 54 CB LYS A 4 -21.247 -16.001 5.726 1.00 0.00 C ATOM 55 CG LYS A 4 -19.889 -15.623 6.321 1.00 0.00 C ATOM 56 CD LYS A 4 -20.004 -14.280 7.046 1.00 0.00 C ATOM 57 CE LYS A 4 -19.013 -14.243 8.211 1.00 0.00 C ATOM 58 NZ LYS A 4 -17.686 -14.000 7.580 1.00 0.00 N ATOM 0 H LYS A 4 -23.628 -15.718 5.220 1.00 0.00 H new ATOM 0 HA LYS A 4 -21.232 -13.946 4.984 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -21.979 -16.136 6.522 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -21.172 -16.951 5.197 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -19.557 -16.395 7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -19.140 -15.559 5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -19.799 -13.463 6.355 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -21.020 -14.139 7.414 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -19.264 -13.453 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -19.021 -15.181 8.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -17.022 -14.746 7.870 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -17.787 -14.009 6.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -17.321 -13.075 7.884 1.00 0.00 H new ATOM 72 N CYS A 5 -20.452 -14.527 2.727 1.00 0.00 N ATOM 73 CA CYS A 5 -20.059 -14.829 1.321 1.00 0.00 C ATOM 74 C CYS A 5 -18.680 -15.503 1.289 1.00 0.00 C ATOM 75 O CYS A 5 -17.885 -15.318 2.190 1.00 0.00 O ATOM 76 CB CYS A 5 -20.005 -13.469 0.623 1.00 0.00 C ATOM 77 SG CYS A 5 -21.527 -12.552 0.969 1.00 0.00 S ATOM 0 H CYS A 5 -19.974 -13.732 3.151 1.00 0.00 H new ATOM 0 HA CYS A 5 -20.758 -15.510 0.835 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -19.140 -12.904 0.971 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -19.886 -13.604 -0.452 1.00 0.00 H new ATOM 82 N PRO A 6 -18.434 -16.263 0.249 1.00 0.00 N ATOM 83 CA PRO A 6 -19.439 -16.459 -0.827 1.00 0.00 C ATOM 84 C PRO A 6 -20.536 -17.423 -0.366 1.00 0.00 C ATOM 85 O PRO A 6 -20.315 -18.274 0.472 1.00 0.00 O ATOM 86 CB PRO A 6 -18.629 -17.072 -1.966 1.00 0.00 C ATOM 87 CG PRO A 6 -17.463 -17.737 -1.304 1.00 0.00 C ATOM 88 CD PRO A 6 -17.195 -17.004 -0.015 1.00 0.00 C ATOM 0 HA PRO A 6 -19.943 -15.536 -1.114 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -19.224 -17.790 -2.530 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -18.299 -16.308 -2.670 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -17.680 -18.787 -1.110 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -16.586 -17.707 -1.951 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -16.966 -17.696 0.795 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -16.343 -16.331 -0.110 1.00 0.00 H new ATOM 96 N GLY A 7 -21.718 -17.293 -0.904 1.00 0.00 N ATOM 97 CA GLY A 7 -22.827 -18.199 -0.496 1.00 0.00 C ATOM 98 C GLY A 7 -24.033 -17.974 -1.410 1.00 0.00 C ATOM 99 O GLY A 7 -24.363 -16.856 -1.752 1.00 0.00 O ATOM 0 H GLY A 7 -21.963 -16.598 -1.609 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -22.502 -19.238 -0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.103 -18.009 0.541 1.00 0.00 H new ATOM 103 N GLU A 8 -24.694 -19.027 -1.808 1.00 0.00 N ATOM 104 CA GLU A 8 -25.877 -18.869 -2.701 1.00 0.00 C ATOM 105 C GLU A 8 -27.170 -18.936 -1.884 1.00 0.00 C ATOM 106 O GLU A 8 -27.439 -19.908 -1.207 1.00 0.00 O ATOM 107 CB GLU A 8 -25.798 -20.045 -3.676 1.00 0.00 C ATOM 108 CG GLU A 8 -26.597 -19.715 -4.939 1.00 0.00 C ATOM 109 CD GLU A 8 -27.794 -20.662 -5.047 1.00 0.00 C ATOM 110 OE1 GLU A 8 -28.807 -20.379 -4.429 1.00 0.00 O ATOM 111 OE2 GLU A 8 -27.678 -21.655 -5.747 1.00 0.00 O ATOM 0 H GLU A 8 -24.466 -19.988 -1.554 1.00 0.00 H new ATOM 0 HA GLU A 8 -25.878 -17.910 -3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -24.759 -20.249 -3.933 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -26.193 -20.947 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -26.940 -18.681 -4.906 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -25.962 -19.812 -5.820 1.00 0.00 H new ATOM 118 N TYR A 9 -27.971 -17.908 -1.942 1.00 0.00 N ATOM 119 CA TYR A 9 -29.247 -17.912 -1.170 1.00 0.00 C ATOM 120 C TYR A 9 -30.413 -17.516 -2.079 1.00 0.00 C ATOM 121 O TYR A 9 -30.227 -16.897 -3.108 1.00 0.00 O ATOM 122 CB TYR A 9 -29.047 -16.871 -0.068 1.00 0.00 C ATOM 123 CG TYR A 9 -27.725 -17.115 0.619 1.00 0.00 C ATOM 124 CD1 TYR A 9 -27.537 -18.272 1.386 1.00 0.00 C ATOM 125 CD2 TYR A 9 -26.686 -16.185 0.488 1.00 0.00 C ATOM 126 CE1 TYR A 9 -26.310 -18.499 2.023 1.00 0.00 C ATOM 127 CE2 TYR A 9 -25.458 -16.411 1.125 1.00 0.00 C ATOM 128 CZ TYR A 9 -25.270 -17.568 1.893 1.00 0.00 C ATOM 129 OH TYR A 9 -24.062 -17.792 2.520 1.00 0.00 O ATOM 0 H TYR A 9 -27.798 -17.065 -2.490 1.00 0.00 H new ATOM 0 HA TYR A 9 -29.481 -18.895 -0.762 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -29.069 -15.867 -0.492 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -29.861 -16.929 0.655 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -28.338 -18.989 1.486 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -26.831 -15.293 -0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -26.165 -19.391 2.614 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -24.657 -15.694 1.024 1.00 0.00 H new ATOM 0 HH TYR A 9 -23.489 -17.004 2.416 1.00 0.00 H new ATOM 139 N GLN A 10 -31.615 -17.870 -1.711 1.00 0.00 N ATOM 140 CA GLN A 10 -32.787 -17.512 -2.559 1.00 0.00 C ATOM 141 C GLN A 10 -33.645 -16.453 -1.862 1.00 0.00 C ATOM 142 O GLN A 10 -33.623 -16.317 -0.654 1.00 0.00 O ATOM 143 CB GLN A 10 -33.569 -18.815 -2.723 1.00 0.00 C ATOM 144 CG GLN A 10 -32.850 -19.719 -3.728 1.00 0.00 C ATOM 145 CD GLN A 10 -33.881 -20.537 -4.508 1.00 0.00 C ATOM 146 OE1 GLN A 10 -33.950 -21.826 -4.319 1.00 0.00 O flip ATOM 147 NE2 GLN A 10 -34.629 -19.998 -5.299 1.00 0.00 N flip ATOM 0 H GLN A 10 -31.835 -18.390 -0.862 1.00 0.00 H new ATOM 0 HA GLN A 10 -32.488 -17.092 -3.519 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -33.659 -19.321 -1.762 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -34.581 -18.603 -3.067 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -32.254 -19.117 -4.414 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -32.161 -20.384 -3.207 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -34.575 -18.990 -5.447 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -35.311 -20.553 -5.815 1.00 0.00 H new ATOM 156 N VAL A 11 -34.401 -15.702 -2.614 1.00 0.00 N ATOM 157 CA VAL A 11 -35.260 -14.651 -1.996 1.00 0.00 C ATOM 158 C VAL A 11 -36.700 -14.780 -2.501 1.00 0.00 C ATOM 159 O VAL A 11 -37.006 -14.440 -3.627 1.00 0.00 O ATOM 160 CB VAL A 11 -34.651 -13.325 -2.449 1.00 0.00 C ATOM 161 CG1 VAL A 11 -35.542 -12.169 -1.990 1.00 0.00 C ATOM 162 CG2 VAL A 11 -33.258 -13.169 -1.835 1.00 0.00 C ATOM 0 H VAL A 11 -34.462 -15.770 -3.630 1.00 0.00 H new ATOM 0 HA VAL A 11 -35.296 -14.733 -0.910 1.00 0.00 H new ATOM 0 HB VAL A 11 -34.574 -13.314 -3.536 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -35.107 -11.224 -2.314 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -36.535 -12.280 -2.426 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -35.620 -12.179 -0.903 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -32.822 -12.223 -2.157 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -33.336 -13.181 -0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -32.622 -13.992 -2.162 1.00 0.00 H new ATOM 172 N ASP A 12 -37.586 -15.269 -1.677 1.00 0.00 N ATOM 173 CA ASP A 12 -39.006 -15.419 -2.109 1.00 0.00 C ATOM 174 C ASP A 12 -39.081 -16.192 -3.427 1.00 0.00 C ATOM 175 O ASP A 12 -39.885 -15.894 -4.288 1.00 0.00 O ATOM 176 CB ASP A 12 -39.514 -13.989 -2.296 1.00 0.00 C ATOM 177 CG ASP A 12 -39.669 -13.318 -0.930 1.00 0.00 C ATOM 178 OD1 ASP A 12 -38.664 -13.143 -0.261 1.00 0.00 O ATOM 179 OD2 ASP A 12 -40.790 -12.991 -0.576 1.00 0.00 O ATOM 0 H ASP A 12 -37.389 -15.571 -0.723 1.00 0.00 H new ATOM 0 HA ASP A 12 -39.602 -15.973 -1.384 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -38.817 -13.423 -2.914 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -40.470 -13.997 -2.819 1.00 0.00 H new ATOM 184 N GLY A 13 -38.251 -17.185 -3.593 1.00 0.00 N ATOM 185 CA GLY A 13 -38.278 -17.977 -4.856 1.00 0.00 C ATOM 186 C GLY A 13 -37.270 -17.395 -5.848 1.00 0.00 C ATOM 187 O GLY A 13 -37.394 -17.561 -7.045 1.00 0.00 O ATOM 0 H GLY A 13 -37.555 -17.482 -2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -38.039 -19.020 -4.648 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -39.279 -17.960 -5.287 1.00 0.00 H new ATOM 191 N LYS A 14 -36.271 -16.713 -5.359 1.00 0.00 N ATOM 192 CA LYS A 14 -35.252 -16.120 -6.273 1.00 0.00 C ATOM 193 C LYS A 14 -33.888 -16.769 -6.034 1.00 0.00 C ATOM 194 O LYS A 14 -33.720 -17.574 -5.140 1.00 0.00 O ATOM 195 CB LYS A 14 -35.211 -14.635 -5.910 1.00 0.00 C ATOM 196 CG LYS A 14 -36.472 -13.946 -6.434 1.00 0.00 C ATOM 197 CD LYS A 14 -36.252 -13.517 -7.886 1.00 0.00 C ATOM 198 CE LYS A 14 -37.582 -13.571 -8.642 1.00 0.00 C ATOM 199 NZ LYS A 14 -37.223 -14.002 -10.022 1.00 0.00 N ATOM 0 H LYS A 14 -36.116 -16.540 -4.366 1.00 0.00 H new ATOM 0 HA LYS A 14 -35.498 -16.276 -7.323 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -35.141 -14.516 -4.829 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -34.324 -14.169 -6.340 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -37.323 -14.623 -6.369 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -36.707 -13.078 -5.819 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -35.843 -12.507 -7.920 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -35.523 -14.172 -8.363 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -38.273 -14.274 -8.176 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -38.073 -12.598 -8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -38.084 -14.062 -10.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -36.570 -13.311 -10.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -36.764 -14.934 -9.986 1.00 0.00 H new ATOM 213 N LYS A 15 -32.913 -16.426 -6.828 1.00 0.00 N ATOM 214 CA LYS A 15 -31.558 -17.024 -6.648 1.00 0.00 C ATOM 215 C LYS A 15 -30.489 -15.926 -6.656 1.00 0.00 C ATOM 216 O LYS A 15 -30.511 -15.032 -7.478 1.00 0.00 O ATOM 217 CB LYS A 15 -31.377 -17.959 -7.844 1.00 0.00 C ATOM 218 CG LYS A 15 -30.614 -19.210 -7.403 1.00 0.00 C ATOM 219 CD LYS A 15 -29.231 -19.223 -8.058 1.00 0.00 C ATOM 220 CE LYS A 15 -29.386 -19.223 -9.580 1.00 0.00 C ATOM 221 NZ LYS A 15 -28.259 -20.060 -10.080 1.00 0.00 N ATOM 0 H LYS A 15 -32.994 -15.758 -7.594 1.00 0.00 H new ATOM 0 HA LYS A 15 -31.462 -17.552 -5.699 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -32.349 -18.238 -8.252 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -30.832 -17.449 -8.639 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -30.514 -19.224 -6.318 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -31.169 -20.105 -7.684 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -28.658 -18.352 -7.740 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -28.674 -20.104 -7.739 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -30.349 -19.637 -9.879 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -29.336 -18.211 -9.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -28.051 -19.808 -11.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -27.416 -19.892 -9.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -28.523 -21.065 -10.027 1.00 0.00 H new ATOM 235 N VAL A 16 -29.553 -15.991 -5.748 1.00 0.00 N ATOM 236 CA VAL A 16 -28.483 -14.952 -5.705 1.00 0.00 C ATOM 237 C VAL A 16 -27.134 -15.597 -5.376 1.00 0.00 C ATOM 238 O VAL A 16 -26.971 -16.230 -4.352 1.00 0.00 O ATOM 239 CB VAL A 16 -28.905 -13.995 -4.590 1.00 0.00 C ATOM 240 CG1 VAL A 16 -28.007 -12.756 -4.614 1.00 0.00 C ATOM 241 CG2 VAL A 16 -30.360 -13.573 -4.805 1.00 0.00 C ATOM 0 H VAL A 16 -29.483 -16.717 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 16 -28.366 -14.439 -6.660 1.00 0.00 H new ATOM 0 HB VAL A 16 -28.809 -14.495 -3.626 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -28.308 -12.073 -3.819 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -26.970 -13.055 -4.462 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -28.103 -12.256 -5.578 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -30.662 -12.891 -4.011 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -30.455 -13.073 -5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -31.001 -14.455 -4.789 1.00 0.00 H new ATOM 251 N ILE A 17 -26.165 -15.442 -6.237 1.00 0.00 N ATOM 252 CA ILE A 17 -24.828 -16.046 -5.973 1.00 0.00 C ATOM 253 C ILE A 17 -23.868 -14.988 -5.421 1.00 0.00 C ATOM 254 O ILE A 17 -23.427 -14.106 -6.130 1.00 0.00 O ATOM 255 CB ILE A 17 -24.345 -16.550 -7.333 1.00 0.00 C ATOM 256 CG1 ILE A 17 -25.436 -17.410 -7.975 1.00 0.00 C ATOM 257 CG2 ILE A 17 -23.081 -17.391 -7.146 1.00 0.00 C ATOM 258 CD1 ILE A 17 -24.911 -18.011 -9.280 1.00 0.00 C ATOM 0 H ILE A 17 -26.242 -14.923 -7.112 1.00 0.00 H new ATOM 0 HA ILE A 17 -24.876 -16.847 -5.235 1.00 0.00 H new ATOM 0 HB ILE A 17 -24.125 -15.699 -7.978 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -25.737 -18.204 -7.292 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -26.322 -16.806 -8.171 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -22.736 -17.751 -8.116 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -22.303 -16.781 -6.688 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -23.302 -18.242 -6.501 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -25.688 -18.623 -9.737 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -24.632 -17.209 -9.964 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -24.038 -18.629 -9.071 1.00 0.00 H new ATOM 270 N LEU A 18 -23.540 -15.070 -4.160 1.00 0.00 N ATOM 271 CA LEU A 18 -22.608 -14.069 -3.565 1.00 0.00 C ATOM 272 C LEU A 18 -21.160 -14.545 -3.707 1.00 0.00 C ATOM 273 O LEU A 18 -20.784 -15.580 -3.193 1.00 0.00 O ATOM 274 CB LEU A 18 -23.004 -13.987 -2.091 1.00 0.00 C ATOM 275 CG LEU A 18 -24.351 -13.272 -1.963 1.00 0.00 C ATOM 276 CD1 LEU A 18 -24.738 -13.170 -0.485 1.00 0.00 C ATOM 277 CD2 LEU A 18 -24.241 -11.867 -2.558 1.00 0.00 C ATOM 0 H LEU A 18 -23.877 -15.786 -3.516 1.00 0.00 H new ATOM 0 HA LEU A 18 -22.673 -13.099 -4.059 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -23.070 -14.988 -1.665 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -22.241 -13.450 -1.528 1.00 0.00 H new ATOM 0 HG LEU A 18 -25.113 -13.836 -2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -25.697 -12.661 -0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -24.817 -14.170 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -23.976 -12.606 0.053 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -25.200 -11.357 -2.467 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -23.478 -11.303 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -23.966 -11.938 -3.610 1.00 0.00 H new ATOM 289 N ASP A 19 -20.346 -13.799 -4.402 1.00 0.00 N ATOM 290 CA ASP A 19 -18.923 -14.210 -4.577 1.00 0.00 C ATOM 291 C ASP A 19 -18.157 -14.045 -3.262 1.00 0.00 C ATOM 292 O ASP A 19 -18.730 -13.757 -2.230 1.00 0.00 O ATOM 293 CB ASP A 19 -18.367 -13.267 -5.645 1.00 0.00 C ATOM 294 CG ASP A 19 -17.483 -14.055 -6.613 1.00 0.00 C ATOM 295 OD1 ASP A 19 -17.841 -15.178 -6.929 1.00 0.00 O ATOM 296 OD2 ASP A 19 -16.465 -13.522 -7.022 1.00 0.00 O ATOM 0 H ASP A 19 -20.604 -12.923 -4.856 1.00 0.00 H new ATOM 0 HA ASP A 19 -18.829 -15.256 -4.868 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -19.185 -12.792 -6.187 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -17.790 -12.470 -5.176 1.00 0.00 H new ATOM 301 N GLU A 20 -16.865 -14.226 -3.292 1.00 0.00 N ATOM 302 CA GLU A 20 -16.062 -14.081 -2.044 1.00 0.00 C ATOM 303 C GLU A 20 -16.395 -12.759 -1.348 1.00 0.00 C ATOM 304 O GLU A 20 -16.287 -12.636 -0.144 1.00 0.00 O ATOM 305 CB GLU A 20 -14.604 -14.091 -2.509 1.00 0.00 C ATOM 306 CG GLU A 20 -14.069 -15.524 -2.480 1.00 0.00 C ATOM 307 CD GLU A 20 -13.484 -15.878 -3.849 1.00 0.00 C ATOM 308 OE1 GLU A 20 -14.260 -16.135 -4.755 1.00 0.00 O ATOM 309 OE2 GLU A 20 -12.269 -15.886 -3.969 1.00 0.00 O ATOM 0 H GLU A 20 -16.331 -14.468 -4.126 1.00 0.00 H new ATOM 0 HA GLU A 20 -16.268 -14.875 -1.327 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -14.530 -13.684 -3.518 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -14.001 -13.453 -1.863 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -13.304 -15.623 -1.709 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -14.870 -16.218 -2.225 1.00 0.00 H new ATOM 316 N ASP A 21 -16.798 -11.768 -2.095 1.00 0.00 N ATOM 317 CA ASP A 21 -17.137 -10.456 -1.474 1.00 0.00 C ATOM 318 C ASP A 21 -18.619 -10.133 -1.690 1.00 0.00 C ATOM 319 O ASP A 21 -18.971 -9.065 -2.149 1.00 0.00 O ATOM 320 CB ASP A 21 -16.256 -9.436 -2.196 1.00 0.00 C ATOM 321 CG ASP A 21 -15.101 -9.020 -1.283 1.00 0.00 C ATOM 322 OD1 ASP A 21 -15.332 -8.213 -0.399 1.00 0.00 O ATOM 323 OD2 ASP A 21 -14.005 -9.518 -1.485 1.00 0.00 O ATOM 0 H ASP A 21 -16.907 -11.810 -3.108 1.00 0.00 H new ATOM 0 HA ASP A 21 -16.966 -10.454 -0.398 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -15.867 -9.865 -3.119 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -16.846 -8.563 -2.474 1.00 0.00 H new ATOM 328 N CYS A 22 -19.489 -11.050 -1.363 1.00 0.00 N ATOM 329 CA CYS A 22 -20.946 -10.796 -1.550 1.00 0.00 C ATOM 330 C CYS A 22 -21.195 -10.120 -2.901 1.00 0.00 C ATOM 331 O CYS A 22 -22.099 -9.321 -3.050 1.00 0.00 O ATOM 332 CB CYS A 22 -21.336 -9.862 -0.404 1.00 0.00 C ATOM 333 SG CYS A 22 -20.915 -10.638 1.176 1.00 0.00 S ATOM 0 H CYS A 22 -19.254 -11.963 -0.975 1.00 0.00 H new ATOM 0 HA CYS A 22 -21.530 -11.716 -1.542 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -20.816 -8.909 -0.504 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -22.404 -9.647 -0.443 1.00 0.00 H new ATOM 338 N PHE A 23 -20.398 -10.432 -3.887 1.00 0.00 N ATOM 339 CA PHE A 23 -20.589 -9.808 -5.228 1.00 0.00 C ATOM 340 C PHE A 23 -21.714 -10.517 -5.987 1.00 0.00 C ATOM 341 O PHE A 23 -22.041 -11.654 -5.712 1.00 0.00 O ATOM 342 CB PHE A 23 -19.253 -10.000 -5.947 1.00 0.00 C ATOM 343 CG PHE A 23 -18.624 -8.652 -6.207 1.00 0.00 C ATOM 344 CD1 PHE A 23 -17.855 -8.034 -5.212 1.00 0.00 C ATOM 345 CD2 PHE A 23 -18.807 -8.019 -7.444 1.00 0.00 C ATOM 346 CE1 PHE A 23 -17.271 -6.783 -5.453 1.00 0.00 C ATOM 347 CE2 PHE A 23 -18.223 -6.769 -7.686 1.00 0.00 C ATOM 348 CZ PHE A 23 -17.454 -6.151 -6.690 1.00 0.00 C ATOM 0 H PHE A 23 -19.623 -11.092 -3.822 1.00 0.00 H new ATOM 0 HA PHE A 23 -20.868 -8.757 -5.158 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -18.586 -10.614 -5.341 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -19.407 -10.529 -6.887 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -17.712 -8.522 -4.259 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -19.399 -8.496 -8.211 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -16.680 -6.306 -4.685 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -18.365 -6.282 -8.639 1.00 0.00 H new ATOM 0 HZ PHE A 23 -17.003 -5.188 -6.876 1.00 0.00 H new ATOM 358 N MET A 24 -22.308 -9.854 -6.941 1.00 0.00 N ATOM 359 CA MET A 24 -23.412 -10.491 -7.717 1.00 0.00 C ATOM 360 C MET A 24 -22.880 -11.028 -9.049 1.00 0.00 C ATOM 361 O MET A 24 -22.675 -10.288 -9.990 1.00 0.00 O ATOM 362 CB MET A 24 -24.425 -9.373 -7.956 1.00 0.00 C ATOM 363 CG MET A 24 -25.453 -9.363 -6.824 1.00 0.00 C ATOM 364 SD MET A 24 -26.952 -8.511 -7.375 1.00 0.00 S ATOM 365 CE MET A 24 -27.645 -9.877 -8.339 1.00 0.00 C ATOM 0 H MET A 24 -22.078 -8.900 -7.217 1.00 0.00 H new ATOM 0 HA MET A 24 -23.855 -11.335 -7.188 1.00 0.00 H new ATOM 0 HB2 MET A 24 -23.915 -8.411 -8.006 1.00 0.00 H new ATOM 0 HB3 MET A 24 -24.925 -9.520 -8.914 1.00 0.00 H new ATOM 0 HG2 MET A 24 -25.691 -10.384 -6.526 1.00 0.00 H new ATOM 0 HG3 MET A 24 -25.040 -8.864 -5.948 1.00 0.00 H new ATOM 0 HE1 MET A 24 -27.923 -9.519 -9.330 1.00 0.00 H new ATOM 0 HE2 MET A 24 -26.902 -10.669 -8.434 1.00 0.00 H new ATOM 0 HE3 MET A 24 -28.528 -10.267 -7.834 1.00 0.00 H new ATOM 375 N GLN A 25 -22.656 -12.312 -9.135 1.00 0.00 N ATOM 376 CA GLN A 25 -22.139 -12.894 -10.406 1.00 0.00 C ATOM 377 C GLN A 25 -23.302 -13.335 -11.298 1.00 0.00 C ATOM 378 O GLN A 25 -23.133 -14.108 -12.220 1.00 0.00 O ATOM 379 CB GLN A 25 -21.303 -14.101 -9.978 1.00 0.00 C ATOM 380 CG GLN A 25 -19.820 -13.725 -9.991 1.00 0.00 C ATOM 381 CD GLN A 25 -19.122 -14.439 -11.150 1.00 0.00 C ATOM 382 OE1 GLN A 25 -19.095 -15.652 -11.204 1.00 0.00 O ATOM 383 NE2 GLN A 25 -18.551 -13.731 -12.086 1.00 0.00 N ATOM 0 H GLN A 25 -22.809 -12.982 -8.381 1.00 0.00 H new ATOM 0 HA GLN A 25 -21.554 -12.176 -10.981 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -21.598 -14.426 -8.980 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -21.483 -14.939 -10.652 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -19.709 -12.646 -10.095 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -19.355 -14.004 -9.045 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -18.574 -12.712 -12.040 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -18.082 -14.196 -12.863 1.00 0.00 H new ATOM 392 N ASN A 26 -24.484 -12.850 -11.029 1.00 0.00 N ATOM 393 CA ASN A 26 -25.658 -13.241 -11.862 1.00 0.00 C ATOM 394 C ASN A 26 -26.664 -12.090 -11.930 1.00 0.00 C ATOM 395 O ASN A 26 -27.670 -12.103 -11.249 1.00 0.00 O ATOM 396 CB ASN A 26 -26.267 -14.446 -11.145 1.00 0.00 C ATOM 397 CG ASN A 26 -26.080 -15.699 -12.003 1.00 0.00 C ATOM 398 OD1 ASN A 26 -25.344 -15.683 -12.970 1.00 0.00 O ATOM 399 ND2 ASN A 26 -26.720 -16.792 -11.687 1.00 0.00 N ATOM 0 H ASN A 26 -24.688 -12.201 -10.269 1.00 0.00 H new ATOM 0 HA ASN A 26 -25.377 -13.477 -12.888 1.00 0.00 H new ATOM 0 HB2 ASN A 26 -25.791 -14.583 -10.174 1.00 0.00 H new ATOM 0 HB3 ASN A 26 -27.327 -14.274 -10.959 1.00 0.00 H new ATOM 0 HD21 ASN A 26 -26.602 -17.633 -12.252 1.00 0.00 H new ATOM 0 HD22 ASN A 26 -27.338 -16.805 -10.875 1.00 0.00 H new ATOM 406 N PRO A 27 -26.354 -11.128 -12.757 1.00 0.00 N ATOM 407 CA PRO A 27 -27.240 -9.951 -12.923 1.00 0.00 C ATOM 408 C PRO A 27 -28.498 -10.334 -13.707 1.00 0.00 C ATOM 409 O PRO A 27 -29.418 -9.553 -13.843 1.00 0.00 O ATOM 410 CB PRO A 27 -26.383 -8.967 -13.714 1.00 0.00 C ATOM 411 CG PRO A 27 -25.390 -9.817 -14.444 1.00 0.00 C ATOM 412 CD PRO A 27 -25.161 -11.049 -13.606 1.00 0.00 C ATOM 0 HA PRO A 27 -27.588 -9.539 -11.976 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -26.989 -8.385 -14.408 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -25.885 -8.258 -13.053 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -25.766 -10.087 -15.431 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -24.456 -9.275 -14.595 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -25.053 -11.939 -14.226 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -24.252 -10.963 -13.010 1.00 0.00 H new ATOM 420 N GLU A 28 -28.543 -11.532 -14.224 1.00 0.00 N ATOM 421 CA GLU A 28 -29.742 -11.964 -14.999 1.00 0.00 C ATOM 422 C GLU A 28 -30.928 -12.188 -14.057 1.00 0.00 C ATOM 423 O GLU A 28 -32.058 -12.321 -14.487 1.00 0.00 O ATOM 424 CB GLU A 28 -29.331 -13.277 -15.666 1.00 0.00 C ATOM 425 CG GLU A 28 -30.323 -13.619 -16.780 1.00 0.00 C ATOM 426 CD GLU A 28 -30.488 -15.137 -16.869 1.00 0.00 C ATOM 427 OE1 GLU A 28 -31.002 -15.713 -15.924 1.00 0.00 O ATOM 428 OE2 GLU A 28 -30.098 -15.697 -17.880 1.00 0.00 O ATOM 0 H GLU A 28 -27.803 -12.229 -14.144 1.00 0.00 H new ATOM 0 HA GLU A 28 -30.053 -11.217 -15.729 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -28.325 -13.189 -16.076 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -29.306 -14.079 -14.928 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -31.286 -13.149 -16.581 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -29.967 -13.225 -17.732 1.00 0.00 H new ATOM 435 N ASP A 29 -30.682 -12.230 -12.777 1.00 0.00 N ATOM 436 CA ASP A 29 -31.797 -12.444 -11.810 1.00 0.00 C ATOM 437 C ASP A 29 -31.954 -11.219 -10.907 1.00 0.00 C ATOM 438 O ASP A 29 -32.301 -11.330 -9.748 1.00 0.00 O ATOM 439 CB ASP A 29 -31.382 -13.666 -10.989 1.00 0.00 C ATOM 440 CG ASP A 29 -32.579 -14.170 -10.181 1.00 0.00 C ATOM 441 OD1 ASP A 29 -32.901 -13.544 -9.185 1.00 0.00 O ATOM 442 OD2 ASP A 29 -33.155 -15.171 -10.573 1.00 0.00 O ATOM 0 H ASP A 29 -29.758 -12.126 -12.358 1.00 0.00 H new ATOM 0 HA ASP A 29 -32.754 -12.596 -12.310 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -31.018 -14.454 -11.649 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -30.562 -13.406 -10.320 1.00 0.00 H new ATOM 447 N TRP A 30 -31.702 -10.050 -11.429 1.00 0.00 N ATOM 448 CA TRP A 30 -31.837 -8.818 -10.600 1.00 0.00 C ATOM 449 C TRP A 30 -33.239 -8.225 -10.759 1.00 0.00 C ATOM 450 O TRP A 30 -33.875 -8.373 -11.783 1.00 0.00 O ATOM 451 CB TRP A 30 -30.783 -7.855 -11.149 1.00 0.00 C ATOM 452 CG TRP A 30 -30.685 -6.661 -10.254 1.00 0.00 C ATOM 453 CD1 TRP A 30 -29.955 -6.601 -9.117 1.00 0.00 C ATOM 454 CD2 TRP A 30 -31.323 -5.360 -10.401 1.00 0.00 C ATOM 455 NE1 TRP A 30 -30.103 -5.346 -8.555 1.00 0.00 N ATOM 456 CE2 TRP A 30 -30.937 -4.544 -9.310 1.00 0.00 C ATOM 457 CE3 TRP A 30 -32.190 -4.813 -11.365 1.00 0.00 C ATOM 458 CZ2 TRP A 30 -31.397 -3.232 -9.180 1.00 0.00 C ATOM 459 CZ3 TRP A 30 -32.655 -3.493 -11.239 1.00 0.00 C ATOM 460 CH2 TRP A 30 -32.258 -2.704 -10.149 1.00 0.00 C ATOM 0 H TRP A 30 -31.409 -9.894 -12.393 1.00 0.00 H new ATOM 0 HA TRP A 30 -31.695 -9.017 -9.538 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -29.817 -8.355 -11.213 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -31.049 -7.545 -12.159 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -29.354 -7.403 -8.714 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -29.652 -5.049 -7.690 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -32.500 -5.412 -12.208 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -31.091 -2.629 -8.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -33.321 -3.084 -11.984 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -32.617 -1.689 -10.058 1.00 0.00 H new ATOM 471 N ASP A 31 -33.726 -7.555 -9.751 1.00 0.00 N ATOM 472 CA ASP A 31 -35.087 -6.953 -9.844 1.00 0.00 C ATOM 473 C ASP A 31 -35.283 -5.916 -8.735 1.00 0.00 C ATOM 474 O ASP A 31 -34.357 -5.567 -8.029 1.00 0.00 O ATOM 475 CB ASP A 31 -36.053 -8.125 -9.659 1.00 0.00 C ATOM 476 CG ASP A 31 -36.546 -8.600 -11.026 1.00 0.00 C ATOM 477 OD1 ASP A 31 -36.477 -7.821 -11.963 1.00 0.00 O ATOM 478 OD2 ASP A 31 -36.985 -9.735 -11.114 1.00 0.00 O ATOM 0 H ASP A 31 -33.241 -7.398 -8.867 1.00 0.00 H new ATOM 0 HA ASP A 31 -35.247 -6.439 -10.792 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -35.555 -8.942 -9.136 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -36.898 -7.820 -9.042 1.00 0.00 H new ATOM 483 N GLU A 32 -36.478 -5.419 -8.576 1.00 0.00 N ATOM 484 CA GLU A 32 -36.728 -4.404 -7.514 1.00 0.00 C ATOM 485 C GLU A 32 -36.630 -5.050 -6.129 1.00 0.00 C ATOM 486 O GLU A 32 -35.862 -4.625 -5.289 1.00 0.00 O ATOM 487 CB GLU A 32 -38.151 -3.904 -7.771 1.00 0.00 C ATOM 488 CG GLU A 32 -38.142 -2.379 -7.886 1.00 0.00 C ATOM 489 CD GLU A 32 -37.371 -1.965 -9.142 1.00 0.00 C ATOM 490 OE1 GLU A 32 -36.982 -2.845 -9.891 1.00 0.00 O ATOM 491 OE2 GLU A 32 -37.182 -0.774 -9.331 1.00 0.00 O ATOM 0 H GLU A 32 -37.293 -5.672 -9.135 1.00 0.00 H new ATOM 0 HA GLU A 32 -35.999 -3.594 -7.539 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -38.544 -4.346 -8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -38.809 -4.214 -6.960 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -39.163 -2.001 -7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -37.680 -1.940 -7.002 1.00 0.00 H new ATOM 498 N LYS A 33 -37.401 -6.074 -5.886 1.00 0.00 N ATOM 499 CA LYS A 33 -37.351 -6.747 -4.555 1.00 0.00 C ATOM 500 C LYS A 33 -35.929 -7.230 -4.258 1.00 0.00 C ATOM 501 O LYS A 33 -35.455 -7.147 -3.142 1.00 0.00 O ATOM 502 CB LYS A 33 -38.307 -7.934 -4.675 1.00 0.00 C ATOM 503 CG LYS A 33 -38.533 -8.550 -3.294 1.00 0.00 C ATOM 504 CD LYS A 33 -39.986 -9.014 -3.172 1.00 0.00 C ATOM 505 CE LYS A 33 -40.896 -7.798 -2.984 1.00 0.00 C ATOM 506 NZ LYS A 33 -40.819 -7.482 -1.530 1.00 0.00 N ATOM 0 H LYS A 33 -38.063 -6.474 -6.550 1.00 0.00 H new ATOM 0 HA LYS A 33 -37.633 -6.077 -3.743 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -39.257 -7.608 -5.099 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -37.894 -8.680 -5.354 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -37.858 -9.393 -3.145 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -38.307 -7.819 -2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -40.279 -9.566 -4.065 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -40.092 -9.695 -2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -40.560 -6.956 -3.589 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -41.919 -8.020 -3.286 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -41.721 -7.727 -1.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -40.050 -8.032 -1.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -40.632 -6.467 -1.405 1.00 0.00 H new ATOM 520 N VAL A 34 -35.244 -7.737 -5.248 1.00 0.00 N ATOM 521 CA VAL A 34 -33.854 -8.227 -5.019 1.00 0.00 C ATOM 522 C VAL A 34 -32.948 -7.071 -4.581 1.00 0.00 C ATOM 523 O VAL A 34 -32.260 -7.154 -3.584 1.00 0.00 O ATOM 524 CB VAL A 34 -33.402 -8.777 -6.372 1.00 0.00 C ATOM 525 CG1 VAL A 34 -31.907 -9.097 -6.319 1.00 0.00 C ATOM 526 CG2 VAL A 34 -34.184 -10.053 -6.690 1.00 0.00 C ATOM 0 H VAL A 34 -35.586 -7.833 -6.204 1.00 0.00 H new ATOM 0 HA VAL A 34 -33.807 -8.981 -4.234 1.00 0.00 H new ATOM 0 HB VAL A 34 -33.588 -8.033 -7.147 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -31.584 -9.489 -7.283 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -31.348 -8.189 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -31.721 -9.841 -5.544 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -33.862 -10.446 -7.655 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -33.998 -10.796 -5.915 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -35.250 -9.827 -6.727 1.00 0.00 H new ATOM 536 N ALA A 35 -32.944 -5.996 -5.319 1.00 0.00 N ATOM 537 CA ALA A 35 -32.082 -4.838 -4.946 1.00 0.00 C ATOM 538 C ALA A 35 -32.332 -4.434 -3.490 1.00 0.00 C ATOM 539 O ALA A 35 -31.413 -4.291 -2.709 1.00 0.00 O ATOM 540 CB ALA A 35 -32.498 -3.712 -5.893 1.00 0.00 C ATOM 0 H ALA A 35 -33.500 -5.869 -6.164 1.00 0.00 H new ATOM 0 HA ALA A 35 -31.021 -5.072 -5.031 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -31.907 -2.821 -5.681 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -32.329 -4.023 -6.924 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -33.555 -3.488 -5.750 1.00 0.00 H new ATOM 546 N GLU A 36 -33.570 -4.246 -3.121 1.00 0.00 N ATOM 547 CA GLU A 36 -33.878 -3.849 -1.717 1.00 0.00 C ATOM 548 C GLU A 36 -33.338 -4.894 -0.736 1.00 0.00 C ATOM 549 O GLU A 36 -32.795 -4.564 0.300 1.00 0.00 O ATOM 550 CB GLU A 36 -35.404 -3.790 -1.650 1.00 0.00 C ATOM 551 CG GLU A 36 -35.837 -2.525 -0.908 1.00 0.00 C ATOM 552 CD GLU A 36 -37.125 -1.982 -1.531 1.00 0.00 C ATOM 553 OE1 GLU A 36 -37.790 -2.739 -2.220 1.00 0.00 O ATOM 554 OE2 GLU A 36 -37.424 -0.821 -1.307 1.00 0.00 O ATOM 0 H GLU A 36 -34.381 -4.350 -3.731 1.00 0.00 H new ATOM 0 HA GLU A 36 -33.419 -2.898 -1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -35.823 -3.795 -2.656 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -35.790 -4.673 -1.140 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -35.996 -2.746 0.147 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -35.050 -1.773 -0.961 1.00 0.00 H new ATOM 561 N TRP A 37 -33.487 -6.151 -1.051 1.00 0.00 N ATOM 562 CA TRP A 37 -32.986 -7.215 -0.134 1.00 0.00 C ATOM 563 C TRP A 37 -31.496 -7.013 0.156 1.00 0.00 C ATOM 564 O TRP A 37 -31.066 -7.040 1.292 1.00 0.00 O ATOM 565 CB TRP A 37 -33.213 -8.524 -0.890 1.00 0.00 C ATOM 566 CG TRP A 37 -32.457 -9.627 -0.220 1.00 0.00 C ATOM 567 CD1 TRP A 37 -32.838 -10.248 0.921 1.00 0.00 C ATOM 568 CD2 TRP A 37 -31.203 -10.248 -0.625 1.00 0.00 C ATOM 569 NE1 TRP A 37 -31.897 -11.211 1.241 1.00 0.00 N ATOM 570 CE2 TRP A 37 -30.871 -11.250 0.319 1.00 0.00 C ATOM 571 CE3 TRP A 37 -30.329 -10.041 -1.710 1.00 0.00 C ATOM 572 CZ2 TRP A 37 -29.713 -12.019 0.190 1.00 0.00 C ATOM 573 CZ3 TRP A 37 -29.163 -10.815 -1.843 1.00 0.00 C ATOM 574 CH2 TRP A 37 -28.856 -11.801 -0.893 1.00 0.00 C ATOM 0 H TRP A 37 -33.934 -6.488 -1.904 1.00 0.00 H new ATOM 0 HA TRP A 37 -33.497 -7.204 0.829 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -34.277 -8.761 -0.915 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -32.885 -8.420 -1.924 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -33.730 -10.028 1.489 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -31.955 -11.818 2.059 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -30.556 -9.283 -2.445 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -29.481 -12.778 0.922 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -28.501 -10.650 -2.680 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -27.958 -12.391 -0.998 1.00 0.00 H new ATOM 585 N LEU A 38 -30.705 -6.815 -0.863 1.00 0.00 N ATOM 586 CA LEU A 38 -29.243 -6.615 -0.645 1.00 0.00 C ATOM 587 C LEU A 38 -28.995 -5.366 0.205 1.00 0.00 C ATOM 588 O LEU A 38 -28.285 -5.403 1.189 1.00 0.00 O ATOM 589 CB LEU A 38 -28.658 -6.435 -2.045 1.00 0.00 C ATOM 590 CG LEU A 38 -27.455 -7.364 -2.220 1.00 0.00 C ATOM 591 CD1 LEU A 38 -26.988 -7.326 -3.676 1.00 0.00 C ATOM 592 CD2 LEU A 38 -26.317 -6.899 -1.308 1.00 0.00 C ATOM 0 H LEU A 38 -31.007 -6.783 -1.837 1.00 0.00 H new ATOM 0 HA LEU A 38 -28.788 -7.451 -0.114 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -29.414 -6.657 -2.798 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -28.355 -5.399 -2.193 1.00 0.00 H new ATOM 0 HG LEU A 38 -27.741 -8.382 -1.957 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -26.131 -7.988 -3.801 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -27.798 -7.655 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -26.702 -6.308 -3.940 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -25.459 -7.560 -1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -26.032 -5.881 -1.572 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -26.649 -6.925 -0.270 1.00 0.00 H new ATOM 604 N ALA A 39 -29.571 -4.258 -0.173 1.00 0.00 N ATOM 605 CA ALA A 39 -29.366 -3.004 0.609 1.00 0.00 C ATOM 606 C ALA A 39 -29.647 -3.246 2.095 1.00 0.00 C ATOM 607 O ALA A 39 -28.960 -2.734 2.957 1.00 0.00 O ATOM 608 CB ALA A 39 -30.371 -2.009 0.030 1.00 0.00 C ATOM 0 H ALA A 39 -30.175 -4.166 -0.990 1.00 0.00 H new ATOM 0 HA ALA A 39 -28.341 -2.640 0.539 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -30.283 -1.057 0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -30.166 -1.860 -1.030 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -31.381 -2.399 0.153 1.00 0.00 H new ATOM 614 N ARG A 40 -30.652 -4.017 2.402 1.00 0.00 N ATOM 615 CA ARG A 40 -30.978 -4.285 3.834 1.00 0.00 C ATOM 616 C ARG A 40 -29.912 -5.185 4.466 1.00 0.00 C ATOM 617 O ARG A 40 -29.177 -4.773 5.341 1.00 0.00 O ATOM 618 CB ARG A 40 -32.331 -4.996 3.804 1.00 0.00 C ATOM 619 CG ARG A 40 -32.724 -5.409 5.224 1.00 0.00 C ATOM 620 CD ARG A 40 -33.091 -6.894 5.242 1.00 0.00 C ATOM 621 NE ARG A 40 -33.669 -7.130 6.594 1.00 0.00 N ATOM 622 CZ ARG A 40 -34.544 -8.081 6.772 1.00 0.00 C ATOM 623 NH1 ARG A 40 -34.223 -9.320 6.523 1.00 0.00 N ATOM 624 NH2 ARG A 40 -35.743 -7.792 7.201 1.00 0.00 N ATOM 0 H ARG A 40 -31.263 -4.474 1.725 1.00 0.00 H new ATOM 0 HA ARG A 40 -31.009 -3.371 4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -33.090 -4.337 3.382 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -32.278 -5.874 3.160 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -31.899 -5.219 5.910 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -33.568 -4.811 5.567 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -33.810 -7.133 4.458 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -32.215 -7.520 5.072 1.00 0.00 H new ATOM 0 HE ARG A 40 -33.381 -6.548 7.381 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -33.286 -9.547 6.189 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -34.908 -10.062 6.663 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -35.995 -6.823 7.397 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -36.428 -8.535 7.340 1.00 0.00 H new ATOM 638 N GLU A 41 -29.829 -6.413 4.034 1.00 0.00 N ATOM 639 CA GLU A 41 -28.816 -7.343 4.613 1.00 0.00 C ATOM 640 C GLU A 41 -27.472 -6.631 4.791 1.00 0.00 C ATOM 641 O GLU A 41 -26.679 -6.989 5.640 1.00 0.00 O ATOM 642 CB GLU A 41 -28.691 -8.476 3.594 1.00 0.00 C ATOM 643 CG GLU A 41 -28.993 -9.811 4.277 1.00 0.00 C ATOM 644 CD GLU A 41 -28.710 -10.958 3.304 1.00 0.00 C ATOM 645 OE1 GLU A 41 -27.931 -10.753 2.388 1.00 0.00 O ATOM 646 OE2 GLU A 41 -29.278 -12.021 3.492 1.00 0.00 O ATOM 0 H GLU A 41 -30.419 -6.814 3.305 1.00 0.00 H new ATOM 0 HA GLU A 41 -29.110 -7.707 5.597 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -29.382 -8.314 2.767 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -27.686 -8.490 3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -28.381 -9.920 5.172 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -30.034 -9.840 4.597 1.00 0.00 H new ATOM 653 N LEU A 42 -27.205 -5.629 3.998 1.00 0.00 N ATOM 654 CA LEU A 42 -25.908 -4.904 4.127 1.00 0.00 C ATOM 655 C LEU A 42 -25.999 -3.840 5.223 1.00 0.00 C ATOM 656 O LEU A 42 -25.541 -4.035 6.331 1.00 0.00 O ATOM 657 CB LEU A 42 -25.681 -4.253 2.763 1.00 0.00 C ATOM 658 CG LEU A 42 -24.546 -4.974 2.037 1.00 0.00 C ATOM 659 CD1 LEU A 42 -24.889 -6.458 1.898 1.00 0.00 C ATOM 660 CD2 LEU A 42 -24.360 -4.362 0.646 1.00 0.00 C ATOM 0 H LEU A 42 -27.827 -5.281 3.268 1.00 0.00 H new ATOM 0 HA LEU A 42 -25.090 -5.570 4.402 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -26.594 -4.299 2.169 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -25.435 -3.198 2.888 1.00 0.00 H new ATOM 0 HG LEU A 42 -23.624 -4.866 2.609 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -24.079 -6.972 1.380 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -25.022 -6.895 2.888 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -25.811 -6.566 1.327 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -23.550 -4.876 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -25.282 -4.469 0.075 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -24.115 -3.304 0.744 1.00 0.00 H new ATOM 672 N GLU A 43 -26.585 -2.713 4.923 1.00 0.00 N ATOM 673 CA GLU A 43 -26.700 -1.637 5.949 1.00 0.00 C ATOM 674 C GLU A 43 -27.918 -1.885 6.842 1.00 0.00 C ATOM 675 O GLU A 43 -27.800 -2.375 7.947 1.00 0.00 O ATOM 676 CB GLU A 43 -26.875 -0.344 5.150 1.00 0.00 C ATOM 677 CG GLU A 43 -25.535 0.057 4.529 1.00 0.00 C ATOM 678 CD GLU A 43 -25.291 1.549 4.761 1.00 0.00 C ATOM 679 OE1 GLU A 43 -26.224 2.227 5.158 1.00 0.00 O ATOM 680 OE2 GLU A 43 -24.176 1.989 4.536 1.00 0.00 O ATOM 0 H GLU A 43 -26.989 -2.491 4.013 1.00 0.00 H new ATOM 0 HA GLU A 43 -25.830 -1.597 6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -27.622 -0.485 4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -27.239 0.451 5.800 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -24.728 -0.527 4.971 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -25.538 -0.160 3.461 1.00 0.00 H new ATOM 687 N GLY A 44 -29.088 -1.552 6.371 1.00 0.00 N ATOM 688 CA GLY A 44 -30.312 -1.770 7.194 1.00 0.00 C ATOM 689 C GLY A 44 -31.422 -0.830 6.719 1.00 0.00 C ATOM 690 O GLY A 44 -32.178 -0.299 7.508 1.00 0.00 O ATOM 0 H GLY A 44 -29.250 -1.139 5.453 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -30.639 -2.807 7.111 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -30.093 -1.588 8.246 1.00 0.00 H new ATOM 694 N ILE A 45 -31.528 -0.622 5.435 1.00 0.00 N ATOM 695 CA ILE A 45 -32.592 0.281 4.912 1.00 0.00 C ATOM 696 C ILE A 45 -33.952 -0.419 4.962 1.00 0.00 C ATOM 697 O ILE A 45 -34.176 -1.409 4.294 1.00 0.00 O ATOM 698 CB ILE A 45 -32.189 0.573 3.467 1.00 0.00 C ATOM 699 CG1 ILE A 45 -30.883 1.371 3.454 1.00 0.00 C ATOM 700 CG2 ILE A 45 -33.289 1.385 2.783 1.00 0.00 C ATOM 701 CD1 ILE A 45 -30.365 1.481 2.018 1.00 0.00 C ATOM 0 H ILE A 45 -30.924 -1.038 4.726 1.00 0.00 H new ATOM 0 HA ILE A 45 -32.685 1.194 5.500 1.00 0.00 H new ATOM 0 HB ILE A 45 -32.047 -0.367 2.933 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -31.048 2.365 3.869 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -30.140 0.882 4.083 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -33.001 1.593 1.753 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -34.219 0.817 2.792 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -33.432 2.325 3.316 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -29.435 2.049 2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -30.184 0.483 1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -31.107 1.989 1.402 1.00 0.00 H new ATOM 713 N GLN A 46 -34.860 0.085 5.753 1.00 0.00 N ATOM 714 CA GLN A 46 -36.205 -0.554 5.848 1.00 0.00 C ATOM 715 C GLN A 46 -36.858 -0.629 4.465 1.00 0.00 C ATOM 716 O GLN A 46 -37.411 -1.641 4.084 1.00 0.00 O ATOM 717 CB GLN A 46 -37.011 0.357 6.774 1.00 0.00 C ATOM 718 CG GLN A 46 -36.214 0.622 8.052 1.00 0.00 C ATOM 719 CD GLN A 46 -37.168 0.697 9.244 1.00 0.00 C ATOM 720 OE1 GLN A 46 -37.061 -0.076 10.175 1.00 0.00 O ATOM 721 NE2 GLN A 46 -38.107 1.605 9.257 1.00 0.00 N ATOM 0 H GLN A 46 -34.729 0.911 6.337 1.00 0.00 H new ATOM 0 HA GLN A 46 -36.150 -1.575 6.226 1.00 0.00 H new ATOM 0 HB2 GLN A 46 -37.235 1.298 6.271 1.00 0.00 H new ATOM 0 HB3 GLN A 46 -37.966 -0.109 7.018 1.00 0.00 H new ATOM 0 HG2 GLN A 46 -35.483 -0.171 8.208 1.00 0.00 H new ATOM 0 HG3 GLN A 46 -35.658 1.555 7.959 1.00 0.00 H new ATOM 0 HE21 GLN A 46 -38.199 2.255 8.476 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -38.749 1.664 10.048 1.00 0.00 H new ATOM 730 N LYS A 47 -36.801 0.435 3.712 1.00 0.00 N ATOM 731 CA LYS A 47 -37.421 0.422 2.356 1.00 0.00 C ATOM 732 C LYS A 47 -36.793 1.503 1.473 1.00 0.00 C ATOM 733 O LYS A 47 -36.811 2.674 1.800 1.00 0.00 O ATOM 734 CB LYS A 47 -38.902 0.719 2.596 1.00 0.00 C ATOM 735 CG LYS A 47 -39.711 0.318 1.361 1.00 0.00 C ATOM 736 CD LYS A 47 -39.996 1.558 0.512 1.00 0.00 C ATOM 737 CE LYS A 47 -41.446 1.998 0.720 1.00 0.00 C ATOM 738 NZ LYS A 47 -41.353 3.310 1.419 1.00 0.00 N ATOM 0 H LYS A 47 -36.353 1.312 3.976 1.00 0.00 H new ATOM 0 HA LYS A 47 -37.272 -0.529 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -39.256 0.171 3.469 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -39.041 1.779 2.806 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -39.160 -0.418 0.775 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -40.647 -0.152 1.663 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -39.317 2.365 0.788 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -39.819 1.339 -0.541 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -41.970 2.094 -0.231 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -41.998 1.271 1.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -42.310 3.677 1.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -40.855 3.187 2.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -40.829 3.984 0.825 1.00 0.00 H new ATOM 752 N MET A 48 -36.235 1.120 0.357 1.00 0.00 N ATOM 753 CA MET A 48 -35.606 2.127 -0.546 1.00 0.00 C ATOM 754 C MET A 48 -36.530 3.335 -0.718 1.00 0.00 C ATOM 755 O MET A 48 -37.635 3.219 -1.208 1.00 0.00 O ATOM 756 CB MET A 48 -35.422 1.401 -1.880 1.00 0.00 C ATOM 757 CG MET A 48 -34.288 0.381 -1.754 1.00 0.00 C ATOM 758 SD MET A 48 -32.707 1.192 -2.095 1.00 0.00 S ATOM 759 CE MET A 48 -32.837 1.193 -3.900 1.00 0.00 C ATOM 0 H MET A 48 -36.187 0.155 0.031 1.00 0.00 H new ATOM 0 HA MET A 48 -34.662 2.503 -0.151 1.00 0.00 H new ATOM 0 HB2 MET A 48 -36.347 0.899 -2.164 1.00 0.00 H new ATOM 0 HB3 MET A 48 -35.194 2.119 -2.668 1.00 0.00 H new ATOM 0 HG2 MET A 48 -34.280 -0.048 -0.752 1.00 0.00 H new ATOM 0 HG3 MET A 48 -34.445 -0.441 -2.452 1.00 0.00 H new ATOM 0 HE1 MET A 48 -32.273 2.033 -4.305 1.00 0.00 H new ATOM 0 HE2 MET A 48 -32.432 0.261 -4.294 1.00 0.00 H new ATOM 0 HE3 MET A 48 -33.884 1.285 -4.189 1.00 0.00 H new ATOM 769 N THR A 49 -36.084 4.495 -0.318 1.00 0.00 N ATOM 770 CA THR A 49 -36.936 5.709 -0.459 1.00 0.00 C ATOM 771 C THR A 49 -37.174 6.018 -1.940 1.00 0.00 C ATOM 772 O THR A 49 -36.668 5.342 -2.814 1.00 0.00 O ATOM 773 CB THR A 49 -36.137 6.833 0.202 1.00 0.00 C ATOM 774 OG1 THR A 49 -34.984 7.114 -0.579 1.00 0.00 O ATOM 775 CG2 THR A 49 -35.711 6.401 1.606 1.00 0.00 C ATOM 0 H THR A 49 -35.167 4.654 0.100 1.00 0.00 H new ATOM 0 HA THR A 49 -37.916 5.582 0.000 1.00 0.00 H new ATOM 0 HB THR A 49 -36.756 7.727 0.272 1.00 0.00 H new ATOM 0 HG1 THR A 49 -34.471 7.835 -0.158 1.00 0.00 H new ATOM 0 HG21 THR A 49 -35.142 7.203 2.076 1.00 0.00 H new ATOM 0 HG22 THR A 49 -36.596 6.185 2.204 1.00 0.00 H new ATOM 0 HG23 THR A 49 -35.091 5.507 1.539 1.00 0.00 H new ATOM 783 N GLU A 50 -37.937 7.036 -2.228 1.00 0.00 N ATOM 784 CA GLU A 50 -38.204 7.387 -3.653 1.00 0.00 C ATOM 785 C GLU A 50 -36.935 7.941 -4.307 1.00 0.00 C ATOM 786 O GLU A 50 -36.775 7.895 -5.510 1.00 0.00 O ATOM 787 CB GLU A 50 -39.292 8.460 -3.597 1.00 0.00 C ATOM 788 CG GLU A 50 -39.697 8.850 -5.020 1.00 0.00 C ATOM 789 CD GLU A 50 -39.952 10.357 -5.084 1.00 0.00 C ATOM 790 OE1 GLU A 50 -40.567 10.874 -4.166 1.00 0.00 O ATOM 791 OE2 GLU A 50 -39.527 10.969 -6.051 1.00 0.00 O ATOM 0 H GLU A 50 -38.387 7.640 -1.540 1.00 0.00 H new ATOM 0 HA GLU A 50 -38.513 6.523 -4.242 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -40.158 8.087 -3.050 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -38.928 9.335 -3.058 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -38.910 8.574 -5.722 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -40.594 8.306 -5.316 1.00 0.00 H new ATOM 798 N GLU A 51 -36.034 8.465 -3.522 1.00 0.00 N ATOM 799 CA GLU A 51 -34.776 9.022 -4.098 1.00 0.00 C ATOM 800 C GLU A 51 -33.815 7.889 -4.469 1.00 0.00 C ATOM 801 O GLU A 51 -33.088 7.970 -5.439 1.00 0.00 O ATOM 802 CB GLU A 51 -34.182 9.886 -2.985 1.00 0.00 C ATOM 803 CG GLU A 51 -34.254 11.360 -3.389 1.00 0.00 C ATOM 804 CD GLU A 51 -35.687 11.867 -3.218 1.00 0.00 C ATOM 805 OE1 GLU A 51 -36.038 12.227 -2.106 1.00 0.00 O ATOM 806 OE2 GLU A 51 -36.408 11.888 -4.200 1.00 0.00 O ATOM 0 H GLU A 51 -36.114 8.532 -2.507 1.00 0.00 H new ATOM 0 HA GLU A 51 -34.956 9.594 -5.008 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -34.728 9.726 -2.055 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -33.147 9.599 -2.800 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -33.573 11.950 -2.776 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -33.936 11.480 -4.425 1.00 0.00 H new ATOM 813 N HIS A 52 -33.803 6.834 -3.701 1.00 0.00 N ATOM 814 CA HIS A 52 -32.888 5.697 -4.007 1.00 0.00 C ATOM 815 C HIS A 52 -33.240 5.083 -5.366 1.00 0.00 C ATOM 816 O HIS A 52 -32.386 4.885 -6.208 1.00 0.00 O ATOM 817 CB HIS A 52 -33.124 4.685 -2.886 1.00 0.00 C ATOM 818 CG HIS A 52 -31.943 4.679 -1.955 1.00 0.00 C ATOM 819 ND1 HIS A 52 -32.083 4.509 -0.572 1.00 0.00 N ATOM 820 CD2 HIS A 52 -30.591 4.818 -2.183 1.00 0.00 C ATOM 821 CE1 HIS A 52 -30.848 4.550 -0.029 1.00 0.00 C ATOM 822 NE2 HIS A 52 -29.936 4.735 -0.971 1.00 0.00 N ATOM 0 H HIS A 52 -34.387 6.710 -2.874 1.00 0.00 H new ATOM 0 HA HIS A 52 -31.846 6.011 -4.061 1.00 0.00 H new ATOM 0 HB2 HIS A 52 -34.031 4.940 -2.338 1.00 0.00 H new ATOM 0 HB3 HIS A 52 -33.274 3.690 -3.306 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -30.124 4.966 -3.145 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -30.634 4.447 1.025 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -28.929 4.804 -0.827 1.00 0.00 H new ATOM 830 N TRP A 53 -34.489 4.777 -5.584 1.00 0.00 N ATOM 831 CA TRP A 53 -34.895 4.174 -6.886 1.00 0.00 C ATOM 832 C TRP A 53 -34.700 5.181 -8.024 1.00 0.00 C ATOM 833 O TRP A 53 -34.346 4.821 -9.129 1.00 0.00 O ATOM 834 CB TRP A 53 -36.377 3.835 -6.719 1.00 0.00 C ATOM 835 CG TRP A 53 -36.512 2.468 -6.130 1.00 0.00 C ATOM 836 CD1 TRP A 53 -37.328 2.143 -5.100 1.00 0.00 C ATOM 837 CD2 TRP A 53 -35.827 1.239 -6.513 1.00 0.00 C ATOM 838 NE1 TRP A 53 -37.189 0.794 -4.827 1.00 0.00 N ATOM 839 CE2 TRP A 53 -36.275 0.193 -5.670 1.00 0.00 C ATOM 840 CE3 TRP A 53 -34.871 0.935 -7.500 1.00 0.00 C ATOM 841 CZ2 TRP A 53 -35.791 -1.109 -5.804 1.00 0.00 C ATOM 842 CZ3 TRP A 53 -34.381 -0.376 -7.637 1.00 0.00 C ATOM 843 CH2 TRP A 53 -34.841 -1.395 -6.790 1.00 0.00 C ATOM 0 H TRP A 53 -35.247 4.918 -4.917 1.00 0.00 H new ATOM 0 HA TRP A 53 -34.300 3.296 -7.136 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -36.859 4.570 -6.074 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -36.882 3.878 -7.684 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -37.981 2.826 -4.577 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -37.699 0.303 -4.093 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -34.511 1.714 -8.156 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -36.148 -1.891 -5.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -33.647 -0.599 -8.398 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -34.462 -2.400 -6.899 1.00 0.00 H new ATOM 854 N LYS A 54 -34.931 6.438 -7.761 1.00 0.00 N ATOM 855 CA LYS A 54 -34.762 7.465 -8.830 1.00 0.00 C ATOM 856 C LYS A 54 -33.314 7.479 -9.330 1.00 0.00 C ATOM 857 O LYS A 54 -33.045 7.232 -10.488 1.00 0.00 O ATOM 858 CB LYS A 54 -35.110 8.795 -8.160 1.00 0.00 C ATOM 859 CG LYS A 54 -36.497 9.247 -8.617 1.00 0.00 C ATOM 860 CD LYS A 54 -36.368 10.506 -9.476 1.00 0.00 C ATOM 861 CE LYS A 54 -37.737 10.874 -10.054 1.00 0.00 C ATOM 862 NZ LYS A 54 -37.734 12.361 -10.133 1.00 0.00 N ATOM 0 H LYS A 54 -35.229 6.799 -6.855 1.00 0.00 H new ATOM 0 HA LYS A 54 -35.394 7.266 -9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -35.090 8.685 -7.076 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -34.367 9.550 -8.417 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -36.980 8.453 -9.187 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -37.129 9.448 -7.752 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -35.982 11.330 -8.876 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -35.655 10.337 -10.283 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -37.884 10.427 -11.037 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -38.544 10.514 -9.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -38.641 12.690 -10.521 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -37.599 12.759 -9.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -36.959 12.674 -10.752 1.00 0.00 H new ATOM 876 N LEU A 55 -32.381 7.771 -8.466 1.00 0.00 N ATOM 877 CA LEU A 55 -30.952 7.805 -8.891 1.00 0.00 C ATOM 878 C LEU A 55 -30.558 6.478 -9.545 1.00 0.00 C ATOM 879 O LEU A 55 -30.035 6.447 -10.642 1.00 0.00 O ATOM 880 CB LEU A 55 -30.162 8.021 -7.600 1.00 0.00 C ATOM 881 CG LEU A 55 -28.853 8.746 -7.918 1.00 0.00 C ATOM 882 CD1 LEU A 55 -28.957 10.206 -7.475 1.00 0.00 C ATOM 883 CD2 LEU A 55 -27.702 8.069 -7.170 1.00 0.00 C ATOM 0 H LEU A 55 -32.546 7.988 -7.483 1.00 0.00 H new ATOM 0 HA LEU A 55 -30.759 8.587 -9.625 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -30.752 8.606 -6.894 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -29.953 7.063 -7.124 1.00 0.00 H new ATOM 0 HG LEU A 55 -28.666 8.704 -8.991 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -28.024 10.722 -7.702 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -29.778 10.690 -8.005 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -29.144 10.248 -6.402 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -26.768 8.584 -7.396 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -27.890 8.112 -6.097 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -27.627 7.028 -7.484 1.00 0.00 H new ATOM 895 N VAL A 56 -30.800 5.383 -8.880 1.00 0.00 N ATOM 896 CA VAL A 56 -30.434 4.059 -9.460 1.00 0.00 C ATOM 897 C VAL A 56 -31.086 3.877 -10.835 1.00 0.00 C ATOM 898 O VAL A 56 -30.571 3.183 -11.689 1.00 0.00 O ATOM 899 CB VAL A 56 -30.979 3.029 -8.470 1.00 0.00 C ATOM 900 CG1 VAL A 56 -30.779 1.622 -9.034 1.00 0.00 C ATOM 901 CG2 VAL A 56 -30.228 3.156 -7.142 1.00 0.00 C ATOM 0 H VAL A 56 -31.236 5.347 -7.959 1.00 0.00 H new ATOM 0 HA VAL A 56 -29.358 3.959 -9.606 1.00 0.00 H new ATOM 0 HB VAL A 56 -32.042 3.207 -8.308 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -31.168 0.888 -8.328 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -31.310 1.531 -9.981 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -29.716 1.442 -9.196 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -30.614 2.423 -6.434 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -29.165 2.977 -7.306 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -30.369 4.159 -6.739 1.00 0.00 H new ATOM 911 N LYS A 57 -32.216 4.492 -11.055 1.00 0.00 N ATOM 912 CA LYS A 57 -32.896 4.349 -12.375 1.00 0.00 C ATOM 913 C LYS A 57 -32.192 5.203 -13.433 1.00 0.00 C ATOM 914 O LYS A 57 -32.055 4.806 -14.574 1.00 0.00 O ATOM 915 CB LYS A 57 -34.321 4.851 -12.143 1.00 0.00 C ATOM 916 CG LYS A 57 -35.232 4.334 -13.258 1.00 0.00 C ATOM 917 CD LYS A 57 -35.959 5.510 -13.913 1.00 0.00 C ATOM 918 CE LYS A 57 -36.999 6.072 -12.941 1.00 0.00 C ATOM 919 NZ LYS A 57 -37.546 7.280 -13.619 1.00 0.00 N ATOM 0 H LYS A 57 -32.697 5.086 -10.380 1.00 0.00 H new ATOM 0 HA LYS A 57 -32.879 3.321 -12.737 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -34.685 4.510 -11.174 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -34.335 5.941 -12.123 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -34.644 3.797 -14.002 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -35.955 3.627 -12.852 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -35.244 6.286 -14.187 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -36.444 5.185 -14.833 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -37.784 5.344 -12.738 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -36.546 6.328 -11.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -38.267 7.722 -13.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -36.777 7.958 -13.793 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -37.977 7.005 -14.525 1.00 0.00 H new ATOM 933 N TYR A 58 -31.745 6.373 -13.066 1.00 0.00 N ATOM 934 CA TYR A 58 -31.052 7.250 -14.053 1.00 0.00 C ATOM 935 C TYR A 58 -29.739 6.605 -14.505 1.00 0.00 C ATOM 936 O TYR A 58 -29.402 6.612 -15.672 1.00 0.00 O ATOM 937 CB TYR A 58 -30.780 8.554 -13.303 1.00 0.00 C ATOM 938 CG TYR A 58 -29.799 9.391 -14.087 1.00 0.00 C ATOM 939 CD1 TYR A 58 -28.422 9.174 -13.947 1.00 0.00 C ATOM 940 CD2 TYR A 58 -30.267 10.388 -14.955 1.00 0.00 C ATOM 941 CE1 TYR A 58 -27.512 9.952 -14.674 1.00 0.00 C ATOM 942 CE2 TYR A 58 -29.356 11.166 -15.682 1.00 0.00 C ATOM 943 CZ TYR A 58 -27.979 10.949 -15.542 1.00 0.00 C ATOM 944 OH TYR A 58 -27.083 11.716 -16.258 1.00 0.00 O ATOM 0 H TYR A 58 -31.830 6.760 -12.126 1.00 0.00 H new ATOM 0 HA TYR A 58 -31.649 7.414 -14.950 1.00 0.00 H new ATOM 0 HB2 TYR A 58 -31.710 9.104 -13.159 1.00 0.00 H new ATOM 0 HB3 TYR A 58 -30.380 8.339 -12.312 1.00 0.00 H new ATOM 0 HD1 TYR A 58 -28.062 8.406 -13.278 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -31.328 10.556 -15.063 1.00 0.00 H new ATOM 0 HE1 TYR A 58 -26.451 9.784 -14.566 1.00 0.00 H new ATOM 0 HE2 TYR A 58 -29.716 11.934 -16.351 1.00 0.00 H new ATOM 0 HH TYR A 58 -27.573 12.359 -16.812 1.00 0.00 H new ATOM 954 N LEU A 59 -28.993 6.050 -13.590 1.00 0.00 N ATOM 955 CA LEU A 59 -27.702 5.406 -13.968 1.00 0.00 C ATOM 956 C LEU A 59 -27.958 4.182 -14.850 1.00 0.00 C ATOM 957 O LEU A 59 -27.237 3.922 -15.793 1.00 0.00 O ATOM 958 CB LEU A 59 -27.064 4.989 -12.643 1.00 0.00 C ATOM 959 CG LEU A 59 -25.649 5.562 -12.555 1.00 0.00 C ATOM 960 CD1 LEU A 59 -25.281 5.794 -11.088 1.00 0.00 C ATOM 961 CD2 LEU A 59 -24.660 4.573 -13.176 1.00 0.00 C ATOM 0 H LEU A 59 -29.221 6.014 -12.596 1.00 0.00 H new ATOM 0 HA LEU A 59 -27.058 6.076 -14.537 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -27.666 5.349 -11.808 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -27.033 3.902 -12.568 1.00 0.00 H new ATOM 0 HG LEU A 59 -25.607 6.508 -13.094 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -24.272 6.202 -11.026 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -25.985 6.497 -10.643 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -25.323 4.848 -10.548 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -23.651 4.980 -13.114 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -24.704 3.627 -12.636 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -24.920 4.406 -14.221 1.00 0.00 H new ATOM 973 N ARG A 60 -28.979 3.426 -14.551 1.00 0.00 N ATOM 974 CA ARG A 60 -29.279 2.218 -15.373 1.00 0.00 C ATOM 975 C ARG A 60 -29.442 2.605 -16.845 1.00 0.00 C ATOM 976 O ARG A 60 -29.044 1.879 -17.735 1.00 0.00 O ATOM 977 CB ARG A 60 -30.594 1.674 -14.813 1.00 0.00 C ATOM 978 CG ARG A 60 -30.678 0.169 -15.075 1.00 0.00 C ATOM 979 CD ARG A 60 -31.093 -0.551 -13.790 1.00 0.00 C ATOM 980 NE ARG A 60 -31.993 -1.650 -14.238 1.00 0.00 N ATOM 981 CZ ARG A 60 -31.514 -2.637 -14.944 1.00 0.00 C ATOM 982 NH1 ARG A 60 -30.458 -3.283 -14.531 1.00 0.00 N ATOM 983 NH2 ARG A 60 -32.092 -2.981 -16.063 1.00 0.00 N ATOM 0 H ARG A 60 -29.618 3.592 -13.774 1.00 0.00 H new ATOM 0 HA ARG A 60 -28.479 1.479 -15.327 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -30.655 1.871 -13.743 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -31.438 2.182 -15.279 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -31.399 -0.033 -15.867 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -29.714 -0.205 -15.419 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -30.225 -0.943 -13.259 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -31.606 0.126 -13.106 1.00 0.00 H new ATOM 0 HE ARG A 60 -32.983 -1.631 -13.993 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -30.007 -3.016 -13.656 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -30.084 -4.055 -15.083 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -32.919 -2.478 -16.386 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -31.717 -3.753 -16.615 1.00 0.00 H new ATOM 997 N GLU A 61 -30.025 3.743 -17.109 1.00 0.00 N ATOM 998 CA GLU A 61 -30.213 4.172 -18.525 1.00 0.00 C ATOM 999 C GLU A 61 -28.861 4.252 -19.239 1.00 0.00 C ATOM 1000 O GLU A 61 -28.710 3.794 -20.355 1.00 0.00 O ATOM 1001 CB GLU A 61 -30.853 5.558 -18.437 1.00 0.00 C ATOM 1002 CG GLU A 61 -30.880 6.198 -19.826 1.00 0.00 C ATOM 1003 CD GLU A 61 -31.897 7.341 -19.842 1.00 0.00 C ATOM 1004 OE1 GLU A 61 -32.693 7.412 -18.922 1.00 0.00 O ATOM 1005 OE2 GLU A 61 -31.859 8.126 -20.775 1.00 0.00 O ATOM 0 H GLU A 61 -30.379 4.393 -16.407 1.00 0.00 H new ATOM 0 HA GLU A 61 -30.829 3.472 -19.089 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -31.866 5.478 -18.042 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -30.291 6.186 -17.746 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -29.890 6.574 -20.084 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -31.143 5.453 -20.576 1.00 0.00 H new ATOM 1012 N TYR A 62 -27.877 4.830 -18.606 1.00 0.00 N ATOM 1013 CA TYR A 62 -26.538 4.939 -19.252 1.00 0.00 C ATOM 1014 C TYR A 62 -25.887 3.557 -19.361 1.00 0.00 C ATOM 1015 O TYR A 62 -25.143 3.282 -20.280 1.00 0.00 O ATOM 1016 CB TYR A 62 -25.724 5.842 -18.323 1.00 0.00 C ATOM 1017 CG TYR A 62 -24.721 6.626 -19.136 1.00 0.00 C ATOM 1018 CD1 TYR A 62 -25.165 7.538 -20.104 1.00 0.00 C ATOM 1019 CD2 TYR A 62 -23.349 6.442 -18.921 1.00 0.00 C ATOM 1020 CE1 TYR A 62 -24.234 8.265 -20.857 1.00 0.00 C ATOM 1021 CE2 TYR A 62 -22.419 7.170 -19.676 1.00 0.00 C ATOM 1022 CZ TYR A 62 -22.861 8.081 -20.644 1.00 0.00 C ATOM 1023 OH TYR A 62 -21.945 8.797 -21.387 1.00 0.00 O ATOM 0 H TYR A 62 -27.942 5.231 -17.670 1.00 0.00 H new ATOM 0 HA TYR A 62 -26.599 5.341 -20.263 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -26.386 6.523 -17.788 1.00 0.00 H new ATOM 0 HB3 TYR A 62 -25.210 5.241 -17.573 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -26.223 7.680 -20.269 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -23.008 5.740 -18.174 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -24.575 8.968 -21.603 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -21.361 7.028 -19.511 1.00 0.00 H new ATOM 0 HH TYR A 62 -21.775 8.332 -22.233 1.00 0.00 H new ATOM 1033 N TRP A 63 -26.163 2.686 -18.429 1.00 0.00 N ATOM 1034 CA TRP A 63 -25.560 1.323 -18.480 1.00 0.00 C ATOM 1035 C TRP A 63 -26.123 0.537 -19.667 1.00 0.00 C ATOM 1036 O TRP A 63 -25.619 -0.508 -20.027 1.00 0.00 O ATOM 1037 CB TRP A 63 -25.963 0.664 -17.159 1.00 0.00 C ATOM 1038 CG TRP A 63 -25.414 -0.726 -17.107 1.00 0.00 C ATOM 1039 CD1 TRP A 63 -24.180 -1.057 -16.660 1.00 0.00 C ATOM 1040 CD2 TRP A 63 -26.054 -1.972 -17.503 1.00 0.00 C ATOM 1041 NE1 TRP A 63 -24.022 -2.428 -16.758 1.00 0.00 N ATOM 1042 CE2 TRP A 63 -25.150 -3.036 -17.272 1.00 0.00 C ATOM 1043 CE3 TRP A 63 -27.321 -2.281 -18.036 1.00 0.00 C ATOM 1044 CZ2 TRP A 63 -25.490 -4.360 -17.558 1.00 0.00 C ATOM 1045 CZ3 TRP A 63 -27.667 -3.612 -18.325 1.00 0.00 C ATOM 1046 CH2 TRP A 63 -26.753 -4.649 -18.087 1.00 0.00 C ATOM 0 H TRP A 63 -26.779 2.859 -17.635 1.00 0.00 H new ATOM 0 HA TRP A 63 -24.478 1.354 -18.608 1.00 0.00 H new ATOM 0 HB2 TRP A 63 -25.585 1.247 -16.319 1.00 0.00 H new ATOM 0 HB3 TRP A 63 -27.049 0.641 -17.068 1.00 0.00 H new ATOM 0 HD1 TRP A 63 -23.440 -0.364 -16.288 1.00 0.00 H new ATOM 0 HE1 TRP A 63 -23.176 -2.928 -16.484 1.00 0.00 H new ATOM 0 HE3 TRP A 63 -28.031 -1.489 -18.224 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 -24.783 -5.155 -17.372 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 -28.641 -3.838 -18.732 1.00 0.00 H new ATOM 0 HH2 TRP A 63 -27.024 -5.670 -18.312 1.00 0.00 H new ATOM 1057 N GLU A 64 -27.165 1.031 -20.277 1.00 0.00 N ATOM 1058 CA GLU A 64 -27.758 0.310 -21.441 1.00 0.00 C ATOM 1059 C GLU A 64 -26.923 0.560 -22.700 1.00 0.00 C ATOM 1060 O GLU A 64 -26.586 -0.355 -23.425 1.00 0.00 O ATOM 1061 CB GLU A 64 -29.159 0.900 -21.602 1.00 0.00 C ATOM 1062 CG GLU A 64 -30.137 0.151 -20.694 1.00 0.00 C ATOM 1063 CD GLU A 64 -31.161 1.135 -20.126 1.00 0.00 C ATOM 1064 OE1 GLU A 64 -31.381 2.158 -20.752 1.00 0.00 O ATOM 1065 OE2 GLU A 64 -31.708 0.848 -19.073 1.00 0.00 O ATOM 0 H GLU A 64 -27.632 1.901 -20.021 1.00 0.00 H new ATOM 0 HA GLU A 64 -27.785 -0.769 -21.287 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -29.150 1.960 -21.348 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -29.480 0.824 -22.641 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -30.644 -0.634 -21.256 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -29.596 -0.336 -19.883 1.00 0.00 H new ATOM 1072 N THR A 65 -26.586 1.792 -22.964 1.00 0.00 N ATOM 1073 CA THR A 65 -25.773 2.100 -24.176 1.00 0.00 C ATOM 1074 C THR A 65 -24.281 2.071 -23.836 1.00 0.00 C ATOM 1075 O THR A 65 -23.501 1.393 -24.475 1.00 0.00 O ATOM 1076 CB THR A 65 -26.199 3.508 -24.593 1.00 0.00 C ATOM 1077 OG1 THR A 65 -27.477 3.796 -24.042 1.00 0.00 O ATOM 1078 CG2 THR A 65 -26.269 3.591 -26.119 1.00 0.00 C ATOM 0 H THR A 65 -26.838 2.599 -22.394 1.00 0.00 H new ATOM 0 HA THR A 65 -25.931 1.373 -24.973 1.00 0.00 H new ATOM 0 HB THR A 65 -25.472 4.232 -24.225 1.00 0.00 H new ATOM 0 HG1 THR A 65 -27.751 4.699 -24.307 1.00 0.00 H new ATOM 0 HG21 THR A 65 -26.573 4.595 -26.415 1.00 0.00 H new ATOM 0 HG22 THR A 65 -25.289 3.369 -26.541 1.00 0.00 H new ATOM 0 HG23 THR A 65 -26.996 2.868 -26.490 1.00 0.00 H new ATOM 1086 N PHE A 66 -23.877 2.802 -22.833 1.00 0.00 N ATOM 1087 CA PHE A 66 -22.436 2.816 -22.453 1.00 0.00 C ATOM 1088 C PHE A 66 -22.089 1.563 -21.646 1.00 0.00 C ATOM 1089 O PHE A 66 -21.468 0.644 -22.143 1.00 0.00 O ATOM 1090 CB PHE A 66 -22.263 4.072 -21.598 1.00 0.00 C ATOM 1091 CG PHE A 66 -21.881 5.234 -22.483 1.00 0.00 C ATOM 1092 CD1 PHE A 66 -20.532 5.474 -22.779 1.00 0.00 C ATOM 1093 CD2 PHE A 66 -22.873 6.071 -23.008 1.00 0.00 C ATOM 1094 CE1 PHE A 66 -20.177 6.553 -23.600 1.00 0.00 C ATOM 1095 CE2 PHE A 66 -22.519 7.150 -23.831 1.00 0.00 C ATOM 1096 CZ PHE A 66 -21.170 7.390 -24.126 1.00 0.00 C ATOM 0 H PHE A 66 -24.483 3.390 -22.260 1.00 0.00 H new ATOM 0 HA PHE A 66 -21.780 2.823 -23.323 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -23.189 4.294 -21.067 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -21.494 3.908 -20.843 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -19.767 4.828 -22.375 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -23.912 5.886 -22.779 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -19.138 6.739 -23.827 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -23.285 7.795 -24.237 1.00 0.00 H new ATOM 0 HZ PHE A 66 -20.896 8.221 -24.759 1.00 0.00 H new ATOM 1106 N GLY A 67 -22.483 1.517 -20.403 1.00 0.00 N ATOM 1107 CA GLY A 67 -22.175 0.323 -19.566 1.00 0.00 C ATOM 1108 C GLY A 67 -21.100 0.678 -18.538 1.00 0.00 C ATOM 1109 O GLY A 67 -20.470 -0.184 -17.960 1.00 0.00 O ATOM 0 H GLY A 67 -23.005 2.255 -19.931 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -23.077 -0.021 -19.059 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -21.832 -0.497 -20.197 1.00 0.00 H new ATOM 1113 N THR A 68 -20.884 1.945 -18.306 1.00 0.00 N ATOM 1114 CA THR A 68 -19.849 2.355 -17.314 1.00 0.00 C ATOM 1115 C THR A 68 -20.505 3.075 -16.132 1.00 0.00 C ATOM 1116 O THR A 68 -21.489 3.770 -16.285 1.00 0.00 O ATOM 1117 CB THR A 68 -18.925 3.307 -18.076 1.00 0.00 C ATOM 1118 OG1 THR A 68 -18.195 2.575 -19.050 1.00 0.00 O ATOM 1119 CG2 THR A 68 -17.953 3.970 -17.098 1.00 0.00 C ATOM 0 H THR A 68 -21.379 2.713 -18.760 1.00 0.00 H new ATOM 0 HA THR A 68 -19.308 1.502 -16.905 1.00 0.00 H new ATOM 0 HB THR A 68 -19.520 4.076 -18.569 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.604 3.183 -19.541 1.00 0.00 H new ATOM 0 HG21 THR A 68 -17.295 4.648 -17.642 1.00 0.00 H new ATOM 0 HG22 THR A 68 -18.515 4.531 -16.351 1.00 0.00 H new ATOM 0 HG23 THR A 68 -17.356 3.204 -16.603 1.00 0.00 H new ATOM 1127 N CYS A 69 -19.968 2.914 -14.954 1.00 0.00 N ATOM 1128 CA CYS A 69 -20.562 3.590 -13.764 1.00 0.00 C ATOM 1129 C CYS A 69 -19.676 4.759 -13.324 1.00 0.00 C ATOM 1130 O CYS A 69 -18.679 4.567 -12.657 1.00 0.00 O ATOM 1131 CB CYS A 69 -20.609 2.514 -12.679 1.00 0.00 C ATOM 1132 SG CYS A 69 -22.331 2.181 -12.234 1.00 0.00 S ATOM 0 H CYS A 69 -19.144 2.344 -14.763 1.00 0.00 H new ATOM 0 HA CYS A 69 -21.550 4.001 -13.972 1.00 0.00 H new ATOM 0 HB2 CYS A 69 -20.131 1.601 -13.036 1.00 0.00 H new ATOM 0 HB3 CYS A 69 -20.052 2.843 -11.801 1.00 0.00 H new ATOM 1137 N PRO A 70 -20.076 5.938 -13.716 1.00 0.00 N ATOM 1138 CA PRO A 70 -19.312 7.159 -13.361 1.00 0.00 C ATOM 1139 C PRO A 70 -19.502 7.497 -11.880 1.00 0.00 C ATOM 1140 O PRO A 70 -20.290 6.874 -11.196 1.00 0.00 O ATOM 1141 CB PRO A 70 -19.930 8.236 -14.248 1.00 0.00 C ATOM 1142 CG PRO A 70 -21.311 7.747 -14.546 1.00 0.00 C ATOM 1143 CD PRO A 70 -21.263 6.241 -14.520 1.00 0.00 C ATOM 0 HA PRO A 70 -18.238 7.053 -13.512 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -19.954 9.200 -13.740 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -19.354 8.372 -15.163 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -22.020 8.123 -13.808 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -21.645 8.105 -15.520 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -22.165 5.821 -14.075 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -21.181 5.827 -15.525 1.00 0.00 H new ATOM 1151 N PRO A 71 -18.767 8.479 -11.434 1.00 0.00 N ATOM 1152 CA PRO A 71 -18.849 8.913 -10.018 1.00 0.00 C ATOM 1153 C PRO A 71 -20.159 9.664 -9.765 1.00 0.00 C ATOM 1154 O PRO A 71 -21.109 9.545 -10.513 1.00 0.00 O ATOM 1155 CB PRO A 71 -17.649 9.843 -9.859 1.00 0.00 C ATOM 1156 CG PRO A 71 -17.362 10.346 -11.238 1.00 0.00 C ATOM 1157 CD PRO A 71 -17.798 9.270 -12.201 1.00 0.00 C ATOM 0 HA PRO A 71 -18.834 8.082 -9.313 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -17.874 10.664 -9.178 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -16.791 9.313 -9.446 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -17.899 11.275 -11.429 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -16.300 10.562 -11.356 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -18.250 9.695 -13.097 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -16.955 8.661 -12.528 1.00 0.00 H new ATOM 1165 N ILE A 72 -20.217 10.439 -8.716 1.00 0.00 N ATOM 1166 CA ILE A 72 -21.467 11.198 -8.418 1.00 0.00 C ATOM 1167 C ILE A 72 -21.164 12.695 -8.315 1.00 0.00 C ATOM 1168 O ILE A 72 -21.476 13.334 -7.330 1.00 0.00 O ATOM 1169 CB ILE A 72 -21.949 10.653 -7.074 1.00 0.00 C ATOM 1170 CG1 ILE A 72 -23.302 11.280 -6.727 1.00 0.00 C ATOM 1171 CG2 ILE A 72 -20.933 11.004 -5.985 1.00 0.00 C ATOM 1172 CD1 ILE A 72 -24.428 10.373 -7.226 1.00 0.00 C ATOM 0 H ILE A 72 -19.455 10.580 -8.053 1.00 0.00 H new ATOM 0 HA ILE A 72 -22.219 11.080 -9.198 1.00 0.00 H new ATOM 0 HB ILE A 72 -22.053 9.570 -7.138 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -23.384 11.420 -5.649 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -23.386 12.266 -7.184 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -21.278 10.615 -5.027 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -19.968 10.560 -6.231 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -20.828 12.087 -5.920 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -25.391 10.819 -6.979 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -24.349 10.256 -8.307 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -24.347 9.397 -6.748 1.00 0.00 H new ATOM 1184 N LYS A 73 -20.561 13.258 -9.325 1.00 0.00 N ATOM 1185 CA LYS A 73 -20.240 14.714 -9.285 1.00 0.00 C ATOM 1186 C LYS A 73 -20.457 15.339 -10.665 1.00 0.00 C ATOM 1187 O LYS A 73 -21.023 16.407 -10.792 1.00 0.00 O ATOM 1188 CB LYS A 73 -18.765 14.784 -8.890 1.00 0.00 C ATOM 1189 CG LYS A 73 -18.559 14.074 -7.550 1.00 0.00 C ATOM 1190 CD LYS A 73 -17.221 14.500 -6.947 1.00 0.00 C ATOM 1191 CE LYS A 73 -16.773 13.464 -5.913 1.00 0.00 C ATOM 1192 NZ LYS A 73 -15.336 13.216 -6.215 1.00 0.00 N ATOM 0 H LYS A 73 -20.276 12.774 -10.176 1.00 0.00 H new ATOM 0 HA LYS A 73 -20.874 15.259 -8.586 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -18.149 14.317 -9.659 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -18.447 15.824 -8.815 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -19.372 14.320 -6.867 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -18.578 12.993 -7.692 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -16.470 14.594 -7.732 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -17.317 15.479 -6.478 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -16.904 13.837 -4.897 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -17.357 12.547 -5.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.957 12.515 -5.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.243 12.855 -7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.804 14.105 -6.124 1.00 0.00 H new ATOM 1206 N MET A 74 -20.012 14.681 -11.701 1.00 0.00 N ATOM 1207 CA MET A 74 -20.194 15.237 -13.071 1.00 0.00 C ATOM 1208 C MET A 74 -21.649 15.077 -13.518 1.00 0.00 C ATOM 1209 O MET A 74 -22.117 15.768 -14.401 1.00 0.00 O ATOM 1210 CB MET A 74 -19.266 14.410 -13.962 1.00 0.00 C ATOM 1211 CG MET A 74 -17.898 15.090 -14.045 1.00 0.00 C ATOM 1212 SD MET A 74 -18.050 16.639 -14.969 1.00 0.00 S ATOM 1213 CE MET A 74 -18.225 15.907 -16.615 1.00 0.00 C ATOM 0 H MET A 74 -19.531 13.783 -11.657 1.00 0.00 H new ATOM 0 HA MET A 74 -19.962 16.301 -13.118 1.00 0.00 H new ATOM 0 HB2 MET A 74 -19.159 13.403 -13.559 1.00 0.00 H new ATOM 0 HB3 MET A 74 -19.695 14.310 -14.959 1.00 0.00 H new ATOM 0 HG2 MET A 74 -17.517 15.288 -13.043 1.00 0.00 H new ATOM 0 HG3 MET A 74 -17.181 14.431 -14.535 1.00 0.00 H new ATOM 0 HE1 MET A 74 -17.661 16.497 -17.338 1.00 0.00 H new ATOM 0 HE2 MET A 74 -17.842 14.887 -16.602 1.00 0.00 H new ATOM 0 HE3 MET A 74 -19.278 15.896 -16.898 1.00 0.00 H new ATOM 1223 N VAL A 75 -22.369 14.172 -12.914 1.00 0.00 N ATOM 1224 CA VAL A 75 -23.794 13.971 -13.305 1.00 0.00 C ATOM 1225 C VAL A 75 -24.646 15.144 -12.813 1.00 0.00 C ATOM 1226 O VAL A 75 -25.617 15.522 -13.437 1.00 0.00 O ATOM 1227 CB VAL A 75 -24.216 12.674 -12.613 1.00 0.00 C ATOM 1228 CG1 VAL A 75 -25.711 12.440 -12.835 1.00 0.00 C ATOM 1229 CG2 VAL A 75 -23.424 11.503 -13.199 1.00 0.00 C ATOM 0 H VAL A 75 -22.033 13.563 -12.167 1.00 0.00 H new ATOM 0 HA VAL A 75 -23.922 13.916 -14.386 1.00 0.00 H new ATOM 0 HB VAL A 75 -24.015 12.750 -11.544 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -26.012 11.516 -12.342 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -26.276 13.274 -12.418 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -25.913 12.363 -13.903 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -23.724 10.578 -12.706 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -23.625 11.427 -14.268 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -22.358 11.669 -13.041 1.00 0.00 H new ATOM 1239 N THR A 76 -24.289 15.722 -11.699 1.00 0.00 N ATOM 1240 CA THR A 76 -25.078 16.870 -11.168 1.00 0.00 C ATOM 1241 C THR A 76 -25.418 17.846 -12.297 1.00 0.00 C ATOM 1242 O THR A 76 -26.453 18.483 -12.290 1.00 0.00 O ATOM 1243 CB THR A 76 -24.166 17.537 -10.138 1.00 0.00 C ATOM 1244 OG1 THR A 76 -23.991 16.666 -9.029 1.00 0.00 O ATOM 1245 CG2 THR A 76 -24.796 18.847 -9.667 1.00 0.00 C ATOM 0 H THR A 76 -23.485 15.449 -11.133 1.00 0.00 H new ATOM 0 HA THR A 76 -26.023 16.552 -10.728 1.00 0.00 H new ATOM 0 HB THR A 76 -23.197 17.747 -10.592 1.00 0.00 H new ATOM 0 HG1 THR A 76 -23.405 17.091 -8.368 1.00 0.00 H new ATOM 0 HG21 THR A 76 -24.144 19.321 -8.933 1.00 0.00 H new ATOM 0 HG22 THR A 76 -24.928 19.514 -10.519 1.00 0.00 H new ATOM 0 HG23 THR A 76 -25.765 18.642 -9.213 1.00 0.00 H new ATOM 1253 N LYS A 77 -24.555 17.970 -13.268 1.00 0.00 N ATOM 1254 CA LYS A 77 -24.832 18.905 -14.396 1.00 0.00 C ATOM 1255 C LYS A 77 -26.168 18.556 -15.056 1.00 0.00 C ATOM 1256 O LYS A 77 -27.022 19.401 -15.236 1.00 0.00 O ATOM 1257 CB LYS A 77 -23.678 18.696 -15.378 1.00 0.00 C ATOM 1258 CG LYS A 77 -23.358 20.017 -16.079 1.00 0.00 C ATOM 1259 CD LYS A 77 -22.298 20.777 -15.280 1.00 0.00 C ATOM 1260 CE LYS A 77 -21.397 21.558 -16.240 1.00 0.00 C ATOM 1261 NZ LYS A 77 -20.527 22.389 -15.361 1.00 0.00 N ATOM 0 H LYS A 77 -23.671 17.465 -13.329 1.00 0.00 H new ATOM 0 HA LYS A 77 -24.902 19.941 -14.065 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -22.798 18.331 -14.849 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -23.945 17.937 -16.114 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -22.999 19.826 -17.090 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -24.261 20.620 -16.170 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -22.777 21.459 -14.578 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -21.702 20.080 -14.691 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -20.804 20.886 -16.860 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -21.985 22.180 -16.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -19.880 22.954 -15.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -21.118 23.024 -14.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -19.975 21.770 -14.734 1.00 0.00 H new ATOM 1275 N GLU A 78 -26.356 17.316 -15.418 1.00 0.00 N ATOM 1276 CA GLU A 78 -27.638 16.914 -16.065 1.00 0.00 C ATOM 1277 C GLU A 78 -28.774 16.924 -15.040 1.00 0.00 C ATOM 1278 O GLU A 78 -29.697 17.709 -15.130 1.00 0.00 O ATOM 1279 CB GLU A 78 -27.393 15.494 -16.579 1.00 0.00 C ATOM 1280 CG GLU A 78 -27.820 15.401 -18.045 1.00 0.00 C ATOM 1281 CD GLU A 78 -26.682 14.796 -18.870 1.00 0.00 C ATOM 1282 OE1 GLU A 78 -25.737 14.308 -18.273 1.00 0.00 O ATOM 1283 OE2 GLU A 78 -26.775 14.831 -20.086 1.00 0.00 O ATOM 0 H GLU A 78 -25.678 16.564 -15.294 1.00 0.00 H new ATOM 0 HA GLU A 78 -27.927 17.594 -16.866 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -26.338 15.237 -16.479 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -27.954 14.777 -15.980 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -28.716 14.787 -18.136 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -28.073 16.391 -18.425 1.00 0.00 H new ATOM 1290 N THR A 79 -28.715 16.058 -14.066 1.00 0.00 N ATOM 1291 CA THR A 79 -29.793 16.019 -13.035 1.00 0.00 C ATOM 1292 C THR A 79 -29.738 17.277 -12.165 1.00 0.00 C ATOM 1293 O THR A 79 -30.595 18.135 -12.243 1.00 0.00 O ATOM 1294 CB THR A 79 -29.495 14.773 -12.199 1.00 0.00 C ATOM 1295 OG1 THR A 79 -28.098 14.689 -11.959 1.00 0.00 O ATOM 1296 CG2 THR A 79 -29.962 13.527 -12.952 1.00 0.00 C ATOM 0 H THR A 79 -27.968 15.376 -13.939 1.00 0.00 H new ATOM 0 HA THR A 79 -30.788 15.984 -13.478 1.00 0.00 H new ATOM 0 HB THR A 79 -30.024 14.838 -11.248 1.00 0.00 H new ATOM 0 HG1 THR A 79 -27.933 14.108 -11.187 1.00 0.00 H new ATOM 0 HG21 THR A 79 -29.749 12.640 -12.355 1.00 0.00 H new ATOM 0 HG22 THR A 79 -31.035 13.593 -13.134 1.00 0.00 H new ATOM 0 HG23 THR A 79 -29.436 13.459 -13.904 1.00 0.00 H new ATOM 1304 N GLY A 80 -28.739 17.393 -11.334 1.00 0.00 N ATOM 1305 CA GLY A 80 -28.631 18.595 -10.460 1.00 0.00 C ATOM 1306 C GLY A 80 -29.043 18.228 -9.034 1.00 0.00 C ATOM 1307 O GLY A 80 -29.228 19.083 -8.191 1.00 0.00 O ATOM 0 H GLY A 80 -27.992 16.707 -11.222 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -27.609 18.973 -10.469 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -29.269 19.393 -10.840 1.00 0.00 H new ATOM 1311 N PHE A 81 -29.189 16.961 -8.756 1.00 0.00 N ATOM 1312 CA PHE A 81 -29.589 16.541 -7.381 1.00 0.00 C ATOM 1313 C PHE A 81 -28.660 17.176 -6.343 1.00 0.00 C ATOM 1314 O PHE A 81 -27.655 17.771 -6.677 1.00 0.00 O ATOM 1315 CB PHE A 81 -29.442 15.019 -7.374 1.00 0.00 C ATOM 1316 CG PHE A 81 -30.789 14.382 -7.619 1.00 0.00 C ATOM 1317 CD1 PHE A 81 -31.666 14.935 -8.561 1.00 0.00 C ATOM 1318 CD2 PHE A 81 -31.161 13.236 -6.904 1.00 0.00 C ATOM 1319 CE1 PHE A 81 -32.915 14.343 -8.788 1.00 0.00 C ATOM 1320 CE2 PHE A 81 -32.411 12.644 -7.130 1.00 0.00 C ATOM 1321 CZ PHE A 81 -33.288 13.198 -8.073 1.00 0.00 C ATOM 0 H PHE A 81 -29.049 16.199 -9.420 1.00 0.00 H new ATOM 0 HA PHE A 81 -30.603 16.853 -7.132 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -28.735 14.708 -8.143 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -29.039 14.686 -6.417 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -31.379 15.818 -9.112 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -30.484 12.809 -6.179 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -33.591 14.770 -9.515 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -32.699 11.761 -6.578 1.00 0.00 H new ATOM 0 HZ PHE A 81 -34.251 12.742 -8.248 1.00 0.00 H new ATOM 1331 N SER A 82 -28.989 17.053 -5.087 1.00 0.00 N ATOM 1332 CA SER A 82 -28.124 17.650 -4.029 1.00 0.00 C ATOM 1333 C SER A 82 -27.159 16.597 -3.478 1.00 0.00 C ATOM 1334 O SER A 82 -27.509 15.444 -3.318 1.00 0.00 O ATOM 1335 CB SER A 82 -29.091 18.111 -2.940 1.00 0.00 C ATOM 1336 OG SER A 82 -29.161 17.120 -1.922 1.00 0.00 O ATOM 0 H SER A 82 -29.818 16.566 -4.747 1.00 0.00 H new ATOM 0 HA SER A 82 -27.516 18.471 -4.408 1.00 0.00 H new ATOM 0 HB2 SER A 82 -28.756 19.059 -2.518 1.00 0.00 H new ATOM 0 HB3 SER A 82 -30.080 18.283 -3.365 1.00 0.00 H new ATOM 0 HG SER A 82 -29.780 17.414 -1.221 1.00 0.00 H new ATOM 1342 N LEU A 83 -25.947 16.983 -3.188 1.00 0.00 N ATOM 1343 CA LEU A 83 -24.960 16.002 -2.648 1.00 0.00 C ATOM 1344 C LEU A 83 -25.356 15.580 -1.230 1.00 0.00 C ATOM 1345 O LEU A 83 -25.065 14.483 -0.796 1.00 0.00 O ATOM 1346 CB LEU A 83 -23.627 16.750 -2.633 1.00 0.00 C ATOM 1347 CG LEU A 83 -22.540 15.843 -2.055 1.00 0.00 C ATOM 1348 CD1 LEU A 83 -22.603 14.472 -2.732 1.00 0.00 C ATOM 1349 CD2 LEU A 83 -21.166 16.470 -2.305 1.00 0.00 C ATOM 0 H LEU A 83 -25.596 17.934 -3.301 1.00 0.00 H new ATOM 0 HA LEU A 83 -24.910 15.093 -3.247 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -23.359 17.058 -3.644 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -23.714 17.658 -2.036 1.00 0.00 H new ATOM 0 HG LEU A 83 -22.699 15.727 -0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -21.828 13.826 -2.319 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -23.581 14.024 -2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -22.445 14.588 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -20.391 15.824 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -21.009 16.587 -3.377 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -21.118 17.446 -1.823 1.00 0.00 H new ATOM 1361 N GLU A 84 -26.015 16.442 -0.505 1.00 0.00 N ATOM 1362 CA GLU A 84 -26.426 16.088 0.883 1.00 0.00 C ATOM 1363 C GLU A 84 -27.364 14.878 0.865 1.00 0.00 C ATOM 1364 O GLU A 84 -27.114 13.877 1.506 1.00 0.00 O ATOM 1365 CB GLU A 84 -27.157 17.325 1.408 1.00 0.00 C ATOM 1366 CG GLU A 84 -27.574 17.093 2.861 1.00 0.00 C ATOM 1367 CD GLU A 84 -27.196 18.313 3.703 1.00 0.00 C ATOM 1368 OE1 GLU A 84 -26.384 19.098 3.242 1.00 0.00 O ATOM 1369 OE2 GLU A 84 -27.725 18.441 4.795 1.00 0.00 O ATOM 0 H GLU A 84 -26.286 17.376 -0.814 1.00 0.00 H new ATOM 0 HA GLU A 84 -25.575 15.821 1.510 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -26.510 18.199 1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -28.035 17.529 0.795 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -28.648 16.917 2.918 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -27.084 16.202 3.253 1.00 0.00 H new ATOM 1376 N LYS A 85 -28.441 14.962 0.133 1.00 0.00 N ATOM 1377 CA LYS A 85 -29.393 13.816 0.074 1.00 0.00 C ATOM 1378 C LYS A 85 -28.642 12.526 -0.265 1.00 0.00 C ATOM 1379 O LYS A 85 -28.701 11.553 0.460 1.00 0.00 O ATOM 1380 CB LYS A 85 -30.376 14.174 -1.041 1.00 0.00 C ATOM 1381 CG LYS A 85 -31.799 14.188 -0.482 1.00 0.00 C ATOM 1382 CD LYS A 85 -32.578 15.352 -1.097 1.00 0.00 C ATOM 1383 CE LYS A 85 -32.517 16.560 -0.159 1.00 0.00 C ATOM 1384 NZ LYS A 85 -33.162 17.669 -0.915 1.00 0.00 N ATOM 0 H LYS A 85 -28.703 15.774 -0.426 1.00 0.00 H new ATOM 0 HA LYS A 85 -29.900 13.649 1.024 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -30.129 15.150 -1.459 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -30.300 13.451 -1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -32.298 13.245 -0.705 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -31.774 14.287 0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -32.158 15.611 -2.069 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -33.615 15.061 -1.265 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -33.043 16.361 0.775 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -31.487 16.806 0.101 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -33.158 18.533 -0.336 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -32.636 17.841 -1.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -34.143 17.409 -1.142 1.00 0.00 H new ATOM 1398 N ILE A 86 -27.935 12.513 -1.362 1.00 0.00 N ATOM 1399 CA ILE A 86 -27.178 11.287 -1.746 1.00 0.00 C ATOM 1400 C ILE A 86 -26.227 10.878 -0.618 1.00 0.00 C ATOM 1401 O ILE A 86 -25.881 9.722 -0.474 1.00 0.00 O ATOM 1402 CB ILE A 86 -26.391 11.683 -2.995 1.00 0.00 C ATOM 1403 CG1 ILE A 86 -27.341 11.758 -4.193 1.00 0.00 C ATOM 1404 CG2 ILE A 86 -25.309 10.638 -3.271 1.00 0.00 C ATOM 1405 CD1 ILE A 86 -26.718 12.630 -5.285 1.00 0.00 C ATOM 0 H ILE A 86 -27.849 13.297 -2.008 1.00 0.00 H new ATOM 0 HA ILE A 86 -27.834 10.437 -1.931 1.00 0.00 H new ATOM 0 HB ILE A 86 -25.925 12.656 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -27.536 10.757 -4.579 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -28.300 12.173 -3.884 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -24.748 10.921 -4.162 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -24.632 10.582 -2.419 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -25.775 9.665 -3.429 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -27.394 12.683 -6.138 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -26.546 13.633 -4.895 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -25.770 12.195 -5.601 1.00 0.00 H new ATOM 1417 N TYR A 87 -25.799 11.818 0.179 1.00 0.00 N ATOM 1418 CA TYR A 87 -24.869 11.484 1.296 1.00 0.00 C ATOM 1419 C TYR A 87 -25.592 10.655 2.361 1.00 0.00 C ATOM 1420 O TYR A 87 -25.196 9.550 2.676 1.00 0.00 O ATOM 1421 CB TYR A 87 -24.441 12.835 1.870 1.00 0.00 C ATOM 1422 CG TYR A 87 -22.966 13.044 1.623 1.00 0.00 C ATOM 1423 CD1 TYR A 87 -22.420 12.760 0.364 1.00 0.00 C ATOM 1424 CD2 TYR A 87 -22.144 13.524 2.651 1.00 0.00 C ATOM 1425 CE1 TYR A 87 -21.051 12.954 0.134 1.00 0.00 C ATOM 1426 CE2 TYR A 87 -20.775 13.718 2.422 1.00 0.00 C ATOM 1427 CZ TYR A 87 -20.229 13.434 1.163 1.00 0.00 C ATOM 1428 OH TYR A 87 -18.882 13.625 0.936 1.00 0.00 O ATOM 0 H TYR A 87 -26.053 12.803 0.106 1.00 0.00 H new ATOM 0 HA TYR A 87 -24.017 10.893 0.960 1.00 0.00 H new ATOM 0 HB2 TYR A 87 -25.015 13.637 1.406 1.00 0.00 H new ATOM 0 HB3 TYR A 87 -24.650 12.870 2.939 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -23.054 12.392 -0.429 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -22.566 13.745 3.621 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -20.630 12.734 -0.836 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -20.141 14.086 3.215 1.00 0.00 H new ATOM 0 HH TYR A 87 -18.457 13.963 1.752 1.00 0.00 H new ATOM 1438 N GLN A 88 -26.649 11.179 2.919 1.00 0.00 N ATOM 1439 CA GLN A 88 -27.395 10.422 3.965 1.00 0.00 C ATOM 1440 C GLN A 88 -27.878 9.080 3.409 1.00 0.00 C ATOM 1441 O GLN A 88 -27.934 8.090 4.110 1.00 0.00 O ATOM 1442 CB GLN A 88 -28.585 11.312 4.326 1.00 0.00 C ATOM 1443 CG GLN A 88 -28.835 11.244 5.834 1.00 0.00 C ATOM 1444 CD GLN A 88 -28.067 12.367 6.531 1.00 0.00 C ATOM 1445 OE1 GLN A 88 -28.547 13.479 6.627 1.00 0.00 O ATOM 1446 NE2 GLN A 88 -26.884 12.123 7.025 1.00 0.00 N ATOM 0 H GLN A 88 -27.029 12.099 2.696 1.00 0.00 H new ATOM 0 HA GLN A 88 -26.774 10.199 4.832 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -28.387 12.341 4.026 1.00 0.00 H new ATOM 0 HB3 GLN A 88 -29.473 10.987 3.784 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -29.901 11.336 6.041 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -28.517 10.276 6.223 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -26.480 11.190 6.945 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -26.363 12.866 7.491 1.00 0.00 H new ATOM 1455 N LEU A 89 -28.230 9.038 2.152 1.00 0.00 N ATOM 1456 CA LEU A 89 -28.710 7.757 1.556 1.00 0.00 C ATOM 1457 C LEU A 89 -27.576 6.729 1.533 1.00 0.00 C ATOM 1458 O LEU A 89 -27.726 5.615 1.993 1.00 0.00 O ATOM 1459 CB LEU A 89 -29.133 8.118 0.131 1.00 0.00 C ATOM 1460 CG LEU A 89 -30.537 8.726 0.154 1.00 0.00 C ATOM 1461 CD1 LEU A 89 -30.947 9.116 -1.267 1.00 0.00 C ATOM 1462 CD2 LEU A 89 -31.527 7.697 0.703 1.00 0.00 C ATOM 0 H LEU A 89 -28.206 9.833 1.513 1.00 0.00 H new ATOM 0 HA LEU A 89 -29.528 7.317 2.126 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -28.426 8.826 -0.301 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -29.120 7.229 -0.500 1.00 0.00 H new ATOM 0 HG LEU A 89 -30.540 9.611 0.790 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -31.947 9.549 -1.251 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -30.241 9.847 -1.662 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -30.945 8.230 -1.902 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -32.528 8.128 0.720 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -31.524 6.813 0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -31.236 7.416 1.715 1.00 0.00 H new ATOM 1474 N PHE A 90 -26.442 7.097 1.001 1.00 0.00 N ATOM 1475 CA PHE A 90 -25.298 6.143 0.949 1.00 0.00 C ATOM 1476 C PHE A 90 -24.040 6.799 1.529 1.00 0.00 C ATOM 1477 O PHE A 90 -23.671 7.888 1.134 1.00 0.00 O ATOM 1478 CB PHE A 90 -25.107 5.839 -0.537 1.00 0.00 C ATOM 1479 CG PHE A 90 -24.730 4.387 -0.709 1.00 0.00 C ATOM 1480 CD1 PHE A 90 -23.389 3.995 -0.599 1.00 0.00 C ATOM 1481 CD2 PHE A 90 -25.719 3.433 -0.980 1.00 0.00 C ATOM 1482 CE1 PHE A 90 -23.037 2.648 -0.760 1.00 0.00 C ATOM 1483 CE2 PHE A 90 -25.368 2.086 -1.140 1.00 0.00 C ATOM 1484 CZ PHE A 90 -24.027 1.694 -1.030 1.00 0.00 C ATOM 0 H PHE A 90 -26.259 8.017 0.600 1.00 0.00 H new ATOM 0 HA PHE A 90 -25.483 5.239 1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -26.025 6.055 -1.084 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -24.329 6.480 -0.953 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -22.627 4.731 -0.390 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -26.752 3.736 -1.066 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -22.004 2.346 -0.676 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -26.131 1.350 -1.348 1.00 0.00 H new ATOM 0 HZ PHE A 90 -23.756 0.656 -1.153 1.00 0.00 H new ATOM 1494 N PRO A 91 -23.422 6.111 2.450 1.00 0.00 N ATOM 1495 CA PRO A 91 -22.192 6.635 3.094 1.00 0.00 C ATOM 1496 C PRO A 91 -21.008 6.560 2.125 1.00 0.00 C ATOM 1497 O PRO A 91 -20.998 5.769 1.203 1.00 0.00 O ATOM 1498 CB PRO A 91 -21.982 5.699 4.281 1.00 0.00 C ATOM 1499 CG PRO A 91 -22.671 4.427 3.898 1.00 0.00 C ATOM 1500 CD PRO A 91 -23.804 4.796 2.977 1.00 0.00 C ATOM 0 HA PRO A 91 -22.276 7.680 3.391 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -20.921 5.532 4.469 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -22.406 6.118 5.194 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -21.978 3.748 3.402 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -23.046 3.911 4.782 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -23.922 4.065 2.177 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -24.753 4.841 3.511 1.00 0.00 H new ATOM 1508 N SER A 92 -20.011 7.378 2.328 1.00 0.00 N ATOM 1509 CA SER A 92 -18.830 7.353 1.419 1.00 0.00 C ATOM 1510 C SER A 92 -19.272 7.585 -0.028 1.00 0.00 C ATOM 1511 O SER A 92 -18.672 7.083 -0.958 1.00 0.00 O ATOM 1512 CB SER A 92 -18.236 5.955 1.582 1.00 0.00 C ATOM 1513 OG SER A 92 -17.898 5.744 2.946 1.00 0.00 O ATOM 0 H SER A 92 -19.963 8.062 3.083 1.00 0.00 H new ATOM 0 HA SER A 92 -18.107 8.133 1.658 1.00 0.00 H new ATOM 0 HB2 SER A 92 -18.952 5.202 1.252 1.00 0.00 H new ATOM 0 HB3 SER A 92 -17.351 5.848 0.955 1.00 0.00 H new ATOM 0 HG SER A 92 -17.518 4.847 3.054 1.00 0.00 H new ATOM 1519 N GLY A 93 -20.316 8.343 -0.226 1.00 0.00 N ATOM 1520 CA GLY A 93 -20.793 8.605 -1.613 1.00 0.00 C ATOM 1521 C GLY A 93 -21.216 7.288 -2.265 1.00 0.00 C ATOM 1522 O GLY A 93 -20.649 6.249 -1.993 1.00 0.00 O ATOM 0 H GLY A 93 -20.859 8.792 0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -21.632 9.300 -1.595 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -20.002 9.075 -2.198 1.00 0.00 H new ATOM 1526 N PRO A 94 -22.206 7.377 -3.111 1.00 0.00 N ATOM 1527 CA PRO A 94 -22.719 6.176 -3.815 1.00 0.00 C ATOM 1528 C PRO A 94 -21.724 5.724 -4.890 1.00 0.00 C ATOM 1529 O PRO A 94 -20.814 4.965 -4.624 1.00 0.00 O ATOM 1530 CB PRO A 94 -24.024 6.659 -4.441 1.00 0.00 C ATOM 1531 CG PRO A 94 -23.862 8.139 -4.586 1.00 0.00 C ATOM 1532 CD PRO A 94 -22.936 8.593 -3.487 1.00 0.00 C ATOM 0 HA PRO A 94 -22.863 5.318 -3.158 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -24.197 6.185 -5.407 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -24.878 6.416 -3.809 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -23.450 8.387 -5.564 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -24.826 8.641 -4.509 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -22.259 9.374 -3.833 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -23.490 9.003 -2.642 1.00 0.00 H new ATOM 1540 N ALA A 95 -21.887 6.186 -6.101 1.00 0.00 N ATOM 1541 CA ALA A 95 -20.948 5.780 -7.187 1.00 0.00 C ATOM 1542 C ALA A 95 -20.784 4.257 -7.208 1.00 0.00 C ATOM 1543 O ALA A 95 -21.512 3.555 -7.880 1.00 0.00 O ATOM 1544 CB ALA A 95 -19.623 6.459 -6.836 1.00 0.00 C ATOM 0 H ALA A 95 -22.629 6.826 -6.385 1.00 0.00 H new ATOM 0 HA ALA A 95 -21.308 6.071 -8.174 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -18.876 6.210 -7.589 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -19.764 7.539 -6.808 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -19.284 6.112 -5.860 1.00 0.00 H new ATOM 1550 N HIS A 96 -19.831 3.743 -6.479 1.00 0.00 N ATOM 1551 CA HIS A 96 -19.620 2.267 -6.460 1.00 0.00 C ATOM 1552 C HIS A 96 -20.795 1.568 -5.770 1.00 0.00 C ATOM 1553 O HIS A 96 -21.300 0.571 -6.244 1.00 0.00 O ATOM 1554 CB HIS A 96 -18.332 2.061 -5.662 1.00 0.00 C ATOM 1555 CG HIS A 96 -17.202 2.792 -6.335 1.00 0.00 C ATOM 1556 ND1 HIS A 96 -17.211 3.077 -7.691 1.00 0.00 N ATOM 1557 CD2 HIS A 96 -16.023 3.302 -5.851 1.00 0.00 C ATOM 1558 CE1 HIS A 96 -16.068 3.732 -7.974 1.00 0.00 C ATOM 1559 NE2 HIS A 96 -15.309 3.895 -6.888 1.00 0.00 N ATOM 0 H HIS A 96 -19.190 4.281 -5.896 1.00 0.00 H new ATOM 0 HA HIS A 96 -19.550 1.850 -7.465 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -18.460 2.427 -4.643 1.00 0.00 H new ATOM 0 HB3 HIS A 96 -18.101 0.998 -5.592 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -15.699 3.251 -4.822 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -15.799 4.082 -8.959 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -14.401 4.355 -6.831 1.00 0.00 H new ATOM 1567 N GLY A 97 -21.232 2.084 -4.655 1.00 0.00 N ATOM 1568 CA GLY A 97 -22.373 1.447 -3.936 1.00 0.00 C ATOM 1569 C GLY A 97 -23.636 1.534 -4.795 1.00 0.00 C ATOM 1570 O GLY A 97 -24.402 0.595 -4.885 1.00 0.00 O ATOM 0 H GLY A 97 -20.850 2.918 -4.210 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -22.141 0.405 -3.717 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -22.537 1.945 -2.980 1.00 0.00 H new ATOM 1574 N ALA A 98 -23.861 2.654 -5.424 1.00 0.00 N ATOM 1575 CA ALA A 98 -25.078 2.800 -6.275 1.00 0.00 C ATOM 1576 C ALA A 98 -25.125 1.692 -7.331 1.00 0.00 C ATOM 1577 O ALA A 98 -26.131 1.034 -7.510 1.00 0.00 O ATOM 1578 CB ALA A 98 -24.934 4.169 -6.940 1.00 0.00 C ATOM 0 H ALA A 98 -23.256 3.475 -5.386 1.00 0.00 H new ATOM 0 HA ALA A 98 -25.998 2.722 -5.695 1.00 0.00 H new ATOM 0 HB1 ALA A 98 -25.793 4.352 -7.585 1.00 0.00 H new ATOM 0 HB2 ALA A 98 -24.884 4.942 -6.174 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -24.022 4.190 -7.536 1.00 0.00 H new ATOM 1584 N CYS A 99 -24.045 1.480 -8.031 1.00 0.00 N ATOM 1585 CA CYS A 99 -24.032 0.415 -9.076 1.00 0.00 C ATOM 1586 C CYS A 99 -24.219 -0.961 -8.430 1.00 0.00 C ATOM 1587 O CYS A 99 -25.110 -1.708 -8.784 1.00 0.00 O ATOM 1588 CB CYS A 99 -22.653 0.517 -9.728 1.00 0.00 C ATOM 1589 SG CYS A 99 -22.342 2.233 -10.215 1.00 0.00 S ATOM 0 H CYS A 99 -23.172 1.997 -7.926 1.00 0.00 H new ATOM 0 HA CYS A 99 -24.836 0.538 -9.801 1.00 0.00 H new ATOM 0 HB2 CYS A 99 -21.884 0.180 -9.033 1.00 0.00 H new ATOM 0 HB3 CYS A 99 -22.602 -0.135 -10.600 1.00 0.00 H new ATOM 1594 N LYS A 100 -23.383 -1.301 -7.487 1.00 0.00 N ATOM 1595 CA LYS A 100 -23.512 -2.628 -6.818 1.00 0.00 C ATOM 1596 C LYS A 100 -24.983 -2.936 -6.527 1.00 0.00 C ATOM 1597 O LYS A 100 -25.479 -4.000 -6.844 1.00 0.00 O ATOM 1598 CB LYS A 100 -22.724 -2.492 -5.515 1.00 0.00 C ATOM 1599 CG LYS A 100 -21.670 -3.599 -5.439 1.00 0.00 C ATOM 1600 CD LYS A 100 -21.009 -3.581 -4.058 1.00 0.00 C ATOM 1601 CE LYS A 100 -19.586 -4.132 -4.167 1.00 0.00 C ATOM 1602 NZ LYS A 100 -19.071 -4.149 -2.770 1.00 0.00 N ATOM 0 H LYS A 100 -22.617 -0.718 -7.151 1.00 0.00 H new ATOM 0 HA LYS A 100 -23.136 -3.441 -7.439 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -22.244 -1.514 -5.468 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -23.398 -2.558 -4.661 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -22.133 -4.569 -5.620 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -20.919 -3.454 -6.215 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -20.988 -2.564 -3.666 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -21.590 -4.180 -3.357 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -19.582 -5.132 -4.601 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -18.968 -3.504 -4.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -18.098 -4.516 -2.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -19.080 -3.183 -2.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -19.675 -4.760 -2.185 1.00 0.00 H new ATOM 1616 N VAL A 101 -25.685 -2.015 -5.926 1.00 0.00 N ATOM 1617 CA VAL A 101 -27.123 -2.258 -5.617 1.00 0.00 C ATOM 1618 C VAL A 101 -27.927 -2.389 -6.913 1.00 0.00 C ATOM 1619 O VAL A 101 -28.836 -3.188 -7.013 1.00 0.00 O ATOM 1620 CB VAL A 101 -27.572 -1.028 -4.828 1.00 0.00 C ATOM 1621 CG1 VAL A 101 -29.083 -1.093 -4.599 1.00 0.00 C ATOM 1622 CG2 VAL A 101 -26.854 -1.000 -3.477 1.00 0.00 C ATOM 0 H VAL A 101 -25.326 -1.106 -5.636 1.00 0.00 H new ATOM 0 HA VAL A 101 -27.275 -3.180 -5.055 1.00 0.00 H new ATOM 0 HB VAL A 101 -27.327 -0.127 -5.390 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -29.404 -0.216 -4.036 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -29.596 -1.115 -5.560 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -29.327 -1.994 -4.037 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -27.173 -0.123 -2.913 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -27.100 -1.902 -2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -25.777 -0.955 -3.638 1.00 0.00 H new ATOM 1632 N ALA A 102 -27.599 -1.608 -7.906 1.00 0.00 N ATOM 1633 CA ALA A 102 -28.345 -1.688 -9.195 1.00 0.00 C ATOM 1634 C ALA A 102 -27.975 -2.973 -9.941 1.00 0.00 C ATOM 1635 O ALA A 102 -28.574 -3.317 -10.940 1.00 0.00 O ATOM 1636 CB ALA A 102 -27.900 -0.459 -9.987 1.00 0.00 C ATOM 0 H ALA A 102 -26.848 -0.919 -7.881 1.00 0.00 H new ATOM 0 HA ALA A 102 -29.425 -1.707 -9.047 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -28.406 -0.445 -10.952 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -28.154 0.444 -9.431 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -26.822 -0.498 -10.143 1.00 0.00 H new ATOM 1642 N GLY A 103 -26.989 -3.683 -9.465 1.00 0.00 N ATOM 1643 CA GLY A 103 -26.582 -4.944 -10.147 1.00 0.00 C ATOM 1644 C GLY A 103 -26.048 -4.620 -11.544 1.00 0.00 C ATOM 1645 O GLY A 103 -26.427 -5.234 -12.522 1.00 0.00 O ATOM 0 H GLY A 103 -26.448 -3.445 -8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -25.816 -5.455 -9.563 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -27.433 -5.622 -10.219 1.00 0.00 H new ATOM 1649 N ALA A 104 -25.173 -3.658 -11.647 1.00 0.00 N ATOM 1650 CA ALA A 104 -24.617 -3.295 -12.982 1.00 0.00 C ATOM 1651 C ALA A 104 -23.182 -3.816 -13.117 1.00 0.00 C ATOM 1652 O ALA A 104 -22.288 -3.354 -12.436 1.00 0.00 O ATOM 1653 CB ALA A 104 -24.637 -1.767 -13.016 1.00 0.00 C ATOM 0 H ALA A 104 -24.819 -3.107 -10.865 1.00 0.00 H new ATOM 0 HA ALA A 104 -25.191 -3.729 -13.801 1.00 0.00 H new ATOM 0 HB1 ALA A 104 -24.242 -1.419 -13.970 1.00 0.00 H new ATOM 0 HB2 ALA A 104 -25.661 -1.414 -12.897 1.00 0.00 H new ATOM 0 HB3 ALA A 104 -24.022 -1.377 -12.205 1.00 0.00 H new