USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 677 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 HIS : no HD1:sc= 1.12 K(o=1.5,f=-4.8) USER MOD Set 1.2: A 86 THR OG1 : rot -91:sc= 0.424 USER MOD Set 2.1: A 20 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 11 SER OG : rot 5:sc= -0.587 USER MOD Set 3.2: A 21 ASN : amide:sc= -0.808 K(o=-1.4,f=-2.6!) USER MOD Single : A 4 THR OG1 : rot 29:sc= 0.311 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN :FLIP amide:sc= -0.0445 F(o=-1.5!,f=-0.045) USER MOD Single : A 10 TYR OH : rot -120:sc= 0.975 USER MOD Single : A 13 HIS : no HD1:sc= -0.125 X(o=-0.13,f=0.0059) USER MOD Single : A 17 ASN : amide:sc= -4.75! C(o=-4.8!,f=-8.4!) USER MOD Single : A 19 LYS NZ :NH3+ 152:sc= -0.35 (180deg=-1.35!) USER MOD Single : A 24 ASN : amide:sc= -1.45 K(o=-1.4,f=-4!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 81:sc= 1.02 USER MOD Single : A 31 HIS : no HD1:sc= -0.0917 X(o=-0.092,f=-0.0075) USER MOD Single : A 33 SER OG : rot -76:sc= 0.131 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.0123 X(o=-0.012,f=-0.018) USER MOD Single : A 48 LYS NZ :NH3+ -159:sc= -1.55! (180deg=-2.64!) USER MOD Single : A 51 HIS :FLIP no HE2:sc= -3.09! C(o=-5.5!,f=-3.1!) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot -129:sc= 1.24 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -160:sc= -0.0236 USER MOD Single : A 73 THR OG1 : rot 180:sc= -1.38! USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot -90:sc= -0.61 USER MOD Single : A 83 ASN : amide:sc= -0.551 K(o=-0.55,f=-2.4) USER MOD Single : A 88 SER OG : rot -19:sc= 1.11 USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 91 LYS NZ :NH3+ 166:sc= -0.0222 (180deg=-0.181) USER MOD Single : A 94 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0259) USER MOD ----------------------------------------------------------------- ATOM 36 N ARG A 3 -17.181 -5.285 -4.681 1.00 0.00 N ATOM 37 CA ARG A 3 -16.284 -4.757 -5.699 1.00 0.00 C ATOM 38 C ARG A 3 -14.841 -5.035 -5.305 1.00 0.00 C ATOM 39 O ARG A 3 -14.478 -4.895 -4.136 1.00 0.00 O ATOM 40 CB ARG A 3 -16.520 -3.250 -5.878 1.00 0.00 C ATOM 41 CG ARG A 3 -15.489 -2.553 -6.775 1.00 0.00 C ATOM 42 CD ARG A 3 -16.034 -1.264 -7.393 1.00 0.00 C ATOM 43 NE ARG A 3 -16.509 -0.325 -6.379 1.00 0.00 N ATOM 44 CZ ARG A 3 -17.475 0.572 -6.580 1.00 0.00 C ATOM 45 NH1 ARG A 3 -18.081 0.656 -7.761 1.00 0.00 N ATOM 46 NH2 ARG A 3 -17.834 1.390 -5.598 1.00 0.00 N ATOM 0 HA ARG A 3 -16.486 -5.250 -6.650 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -17.514 -3.097 -6.299 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -16.513 -2.774 -4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -14.598 -2.325 -6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -15.183 -3.233 -7.570 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -15.253 -0.790 -7.988 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -16.851 -1.506 -8.073 1.00 0.00 H new ATOM 0 HE ARG A 3 -16.073 -0.358 -5.457 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -17.808 0.032 -8.520 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -18.819 1.345 -7.908 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -17.371 1.332 -4.691 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -18.573 2.077 -5.751 1.00 0.00 H new ATOM 60 N THR A 4 -14.025 -5.434 -6.276 1.00 0.00 N ATOM 61 CA THR A 4 -12.652 -5.825 -5.998 1.00 0.00 C ATOM 62 C THR A 4 -11.769 -4.601 -5.750 1.00 0.00 C ATOM 63 O THR A 4 -11.682 -3.710 -6.599 1.00 0.00 O ATOM 64 CB THR A 4 -12.047 -6.678 -7.146 1.00 0.00 C ATOM 65 OG1 THR A 4 -11.976 -5.914 -8.360 1.00 0.00 O ATOM 66 CG2 THR A 4 -12.870 -7.933 -7.404 1.00 0.00 C ATOM 0 H THR A 4 -14.292 -5.494 -7.259 1.00 0.00 H new ATOM 0 HA THR A 4 -12.679 -6.436 -5.096 1.00 0.00 H new ATOM 0 HB THR A 4 -11.045 -6.971 -6.833 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.876 -4.964 -8.143 1.00 0.00 H new ATOM 0 HG21 THR A 4 -12.417 -8.505 -8.214 1.00 0.00 H new ATOM 0 HG22 THR A 4 -12.898 -8.542 -6.500 1.00 0.00 H new ATOM 0 HG23 THR A 4 -13.885 -7.651 -7.683 1.00 0.00 H new ATOM 74 N PRO A 5 -11.135 -4.512 -4.566 1.00 0.00 N ATOM 75 CA PRO A 5 -10.154 -3.478 -4.286 1.00 0.00 C ATOM 76 C PRO A 5 -8.854 -3.782 -5.017 1.00 0.00 C ATOM 77 O PRO A 5 -8.291 -4.870 -4.873 1.00 0.00 O ATOM 78 CB PRO A 5 -9.953 -3.533 -2.762 1.00 0.00 C ATOM 79 CG PRO A 5 -10.915 -4.559 -2.245 1.00 0.00 C ATOM 80 CD PRO A 5 -11.317 -5.407 -3.423 1.00 0.00 C ATOM 0 HA PRO A 5 -10.476 -2.491 -4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -8.926 -3.804 -2.515 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -10.143 -2.560 -2.310 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -10.451 -5.169 -1.470 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -11.786 -4.082 -1.796 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -10.694 -6.298 -3.507 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -12.349 -5.747 -3.339 1.00 0.00 H new ATOM 88 N LYS A 6 -8.382 -2.835 -5.806 1.00 0.00 N ATOM 89 CA LYS A 6 -7.213 -3.064 -6.634 1.00 0.00 C ATOM 90 C LYS A 6 -5.978 -2.495 -5.957 1.00 0.00 C ATOM 91 O LYS A 6 -6.057 -1.506 -5.224 1.00 0.00 O ATOM 92 CB LYS A 6 -7.407 -2.423 -8.014 1.00 0.00 C ATOM 93 CG LYS A 6 -6.206 -2.561 -8.941 1.00 0.00 C ATOM 94 CD LYS A 6 -6.382 -1.749 -10.215 1.00 0.00 C ATOM 95 CE LYS A 6 -7.537 -2.265 -11.056 1.00 0.00 C ATOM 96 NZ LYS A 6 -7.712 -1.477 -12.304 1.00 0.00 N ATOM 0 H LYS A 6 -8.788 -1.903 -5.891 1.00 0.00 H new ATOM 0 HA LYS A 6 -7.078 -4.138 -6.766 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -8.275 -2.875 -8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -7.630 -1.364 -7.882 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -5.306 -2.232 -8.422 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -6.062 -3.611 -9.196 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -6.557 -0.704 -9.959 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -5.462 -1.785 -10.799 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -7.363 -3.311 -11.309 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.456 -2.227 -10.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -8.510 -1.862 -12.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -7.904 -0.484 -12.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.844 -1.533 -12.875 1.00 0.00 H new ATOM 110 N ILE A 7 -4.842 -3.126 -6.204 1.00 0.00 N ATOM 111 CA ILE A 7 -3.605 -2.727 -5.568 1.00 0.00 C ATOM 112 C ILE A 7 -2.878 -1.703 -6.411 1.00 0.00 C ATOM 113 O ILE A 7 -2.568 -1.950 -7.577 1.00 0.00 O ATOM 114 CB ILE A 7 -2.660 -3.922 -5.348 1.00 0.00 C ATOM 115 CG1 ILE A 7 -3.451 -5.157 -4.932 1.00 0.00 C ATOM 116 CG2 ILE A 7 -1.614 -3.580 -4.295 1.00 0.00 C ATOM 117 CD1 ILE A 7 -4.327 -4.931 -3.727 1.00 0.00 C ATOM 0 H ILE A 7 -4.754 -3.917 -6.842 1.00 0.00 H new ATOM 0 HA ILE A 7 -3.876 -2.302 -4.601 1.00 0.00 H new ATOM 0 HB ILE A 7 -2.150 -4.140 -6.287 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -4.072 -5.480 -5.768 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -2.756 -5.969 -4.719 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -0.952 -4.434 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -1.031 -2.721 -4.627 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -2.110 -3.340 -3.354 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -4.860 -5.851 -3.487 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -3.709 -4.638 -2.878 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -5.046 -4.141 -3.943 1.00 0.00 H new ATOM 129 N GLN A 8 -2.625 -0.554 -5.826 1.00 0.00 N ATOM 130 CA GLN A 8 -1.780 0.441 -6.463 1.00 0.00 C ATOM 131 C GLN A 8 -0.752 0.921 -5.428 1.00 0.00 C ATOM 132 O GLN A 8 -1.107 1.498 -4.398 1.00 0.00 O ATOM 133 CB GLN A 8 -2.628 1.635 -7.008 1.00 0.00 C ATOM 134 CG GLN A 8 -4.128 1.411 -6.850 1.00 0.00 C ATOM 135 CD GLN A 8 -4.954 2.648 -7.164 1.00 0.00 C ATOM 136 OE1 GLN A 8 -4.382 3.822 -6.929 1.00 0.00 O flip ATOM 137 NE2 GLN A 8 -6.099 2.548 -7.611 1.00 0.00 N flip ATOM 0 H GLN A 8 -2.989 -0.282 -4.913 1.00 0.00 H new ATOM 0 HA GLN A 8 -1.269 0.002 -7.320 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -2.344 2.547 -6.483 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -2.397 1.789 -8.062 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -4.439 0.598 -7.506 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -4.336 1.093 -5.828 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -6.503 1.626 -7.778 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -6.642 3.387 -7.814 1.00 0.00 H new ATOM 146 N VAL A 9 0.514 0.661 -5.708 1.00 0.00 N ATOM 147 CA VAL A 9 1.598 1.012 -4.801 1.00 0.00 C ATOM 148 C VAL A 9 2.732 1.685 -5.560 1.00 0.00 C ATOM 149 O VAL A 9 3.155 1.224 -6.624 1.00 0.00 O ATOM 150 CB VAL A 9 2.118 -0.223 -3.998 1.00 0.00 C ATOM 151 CG1 VAL A 9 2.185 -1.469 -4.868 1.00 0.00 C ATOM 152 CG2 VAL A 9 3.483 0.061 -3.369 1.00 0.00 C ATOM 0 H VAL A 9 0.820 0.203 -6.566 1.00 0.00 H new ATOM 0 HA VAL A 9 1.198 1.718 -4.073 1.00 0.00 H new ATOM 0 HB VAL A 9 1.402 -0.409 -3.198 1.00 0.00 H new ATOM 0 HG11 VAL A 9 2.551 -2.307 -4.275 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.190 -1.701 -5.249 1.00 0.00 H new ATOM 0 HG13 VAL A 9 2.862 -1.293 -5.704 1.00 0.00 H new ATOM 0 HG21 VAL A 9 3.819 -0.817 -2.817 1.00 0.00 H new ATOM 0 HG22 VAL A 9 4.203 0.294 -4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 9 3.401 0.908 -2.688 1.00 0.00 H new ATOM 162 N TYR A 10 3.199 2.795 -5.011 1.00 0.00 N ATOM 163 CA TYR A 10 4.250 3.579 -5.626 1.00 0.00 C ATOM 164 C TYR A 10 4.988 4.362 -4.550 1.00 0.00 C ATOM 165 O TYR A 10 4.556 4.407 -3.398 1.00 0.00 O ATOM 166 CB TYR A 10 3.674 4.527 -6.697 1.00 0.00 C ATOM 167 CG TYR A 10 2.752 5.612 -6.173 1.00 0.00 C ATOM 168 CD1 TYR A 10 3.261 6.836 -5.755 1.00 0.00 C ATOM 169 CD2 TYR A 10 1.376 5.423 -6.121 1.00 0.00 C ATOM 170 CE1 TYR A 10 2.429 7.837 -5.294 1.00 0.00 C ATOM 171 CE2 TYR A 10 0.538 6.421 -5.659 1.00 0.00 C ATOM 172 CZ TYR A 10 1.070 7.626 -5.249 1.00 0.00 C ATOM 173 OH TYR A 10 0.237 8.626 -4.796 1.00 0.00 O ATOM 0 H TYR A 10 2.859 3.175 -4.128 1.00 0.00 H new ATOM 0 HA TYR A 10 4.950 2.909 -6.124 1.00 0.00 H new ATOM 0 HB2 TYR A 10 4.503 5.000 -7.224 1.00 0.00 H new ATOM 0 HB3 TYR A 10 3.129 3.932 -7.430 1.00 0.00 H new ATOM 0 HD1 TYR A 10 4.327 7.007 -5.791 1.00 0.00 H new ATOM 0 HD2 TYR A 10 0.955 4.483 -6.446 1.00 0.00 H new ATOM 0 HE1 TYR A 10 2.843 8.781 -4.970 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -0.529 6.258 -5.619 1.00 0.00 H new ATOM 0 HH TYR A 10 -0.260 8.308 -4.014 1.00 0.00 H new ATOM 183 N SER A 11 6.108 4.958 -4.912 1.00 0.00 N ATOM 184 CA SER A 11 6.880 5.741 -3.967 1.00 0.00 C ATOM 185 C SER A 11 6.504 7.211 -4.074 1.00 0.00 C ATOM 186 O SER A 11 6.215 7.699 -5.167 1.00 0.00 O ATOM 187 CB SER A 11 8.369 5.556 -4.235 1.00 0.00 C ATOM 188 OG SER A 11 9.143 5.967 -3.124 1.00 0.00 O ATOM 0 H SER A 11 6.503 4.915 -5.852 1.00 0.00 H new ATOM 0 HA SER A 11 6.658 5.398 -2.957 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.574 4.509 -4.457 1.00 0.00 H new ATOM 0 HB3 SER A 11 8.657 6.131 -5.115 1.00 0.00 H new ATOM 0 HG SER A 11 8.549 6.204 -2.381 1.00 0.00 H new ATOM 194 N ARG A 12 6.496 7.911 -2.943 1.00 0.00 N ATOM 195 CA ARG A 12 6.125 9.323 -2.935 1.00 0.00 C ATOM 196 C ARG A 12 7.116 10.120 -3.782 1.00 0.00 C ATOM 197 O ARG A 12 6.722 10.910 -4.645 1.00 0.00 O ATOM 198 CB ARG A 12 6.101 9.857 -1.492 1.00 0.00 C ATOM 199 CG ARG A 12 5.092 10.989 -1.235 1.00 0.00 C ATOM 200 CD ARG A 12 5.017 12.007 -2.369 1.00 0.00 C ATOM 201 NE ARG A 12 3.646 12.197 -2.837 1.00 0.00 N ATOM 202 CZ ARG A 12 3.283 12.183 -4.119 1.00 0.00 C ATOM 203 NH1 ARG A 12 4.176 11.937 -5.072 1.00 0.00 N ATOM 204 NH2 ARG A 12 2.017 12.402 -4.444 1.00 0.00 N ATOM 0 H ARG A 12 6.739 7.529 -2.029 1.00 0.00 H new ATOM 0 HA ARG A 12 5.127 9.434 -3.360 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.876 9.030 -0.818 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.098 10.215 -1.236 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.104 10.556 -1.080 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.362 11.503 -0.313 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.420 12.961 -2.029 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.641 11.674 -3.198 1.00 0.00 H new ATOM 0 HE ARG A 12 2.920 12.350 -2.137 1.00 0.00 H new ATOM 0 HH11 ARG A 12 5.149 11.757 -4.825 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.888 11.928 -6.051 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.327 12.580 -3.715 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.733 12.393 -5.424 1.00 0.00 H new ATOM 218 N HIS A 13 8.397 9.902 -3.531 1.00 0.00 N ATOM 219 CA HIS A 13 9.452 10.587 -4.266 1.00 0.00 C ATOM 220 C HIS A 13 10.380 9.553 -4.930 1.00 0.00 C ATOM 221 O HIS A 13 10.187 8.355 -4.712 1.00 0.00 O ATOM 222 CB HIS A 13 10.235 11.517 -3.324 1.00 0.00 C ATOM 223 CG HIS A 13 9.489 12.769 -2.944 1.00 0.00 C ATOM 224 ND1 HIS A 13 9.901 13.565 -1.899 1.00 0.00 N ATOM 225 CD2 HIS A 13 8.379 13.320 -3.503 1.00 0.00 C ATOM 226 CE1 HIS A 13 9.043 14.574 -1.850 1.00 0.00 C ATOM 227 NE2 HIS A 13 8.105 14.464 -2.801 1.00 0.00 N ATOM 0 H HIS A 13 8.734 9.253 -2.820 1.00 0.00 H new ATOM 0 HA HIS A 13 9.009 11.201 -5.050 1.00 0.00 H new ATOM 0 HB2 HIS A 13 10.490 10.968 -2.417 1.00 0.00 H new ATOM 0 HB3 HIS A 13 11.174 11.796 -3.803 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.820 12.930 -4.341 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.093 15.382 -1.135 1.00 0.00 H new ATOM 0 HE2 HIS A 13 7.334 15.110 -2.970 1.00 0.00 H new ATOM 235 N PRO A 14 11.395 9.971 -5.741 1.00 0.00 N ATOM 236 CA PRO A 14 12.266 9.026 -6.466 1.00 0.00 C ATOM 237 C PRO A 14 12.895 7.964 -5.562 1.00 0.00 C ATOM 238 O PRO A 14 13.178 8.211 -4.387 1.00 0.00 O ATOM 239 CB PRO A 14 13.371 9.910 -7.074 1.00 0.00 C ATOM 240 CG PRO A 14 13.232 11.257 -6.411 1.00 0.00 C ATOM 241 CD PRO A 14 11.775 11.370 -6.028 1.00 0.00 C ATOM 0 HA PRO A 14 11.689 8.468 -7.203 1.00 0.00 H new ATOM 0 HB2 PRO A 14 14.357 9.484 -6.891 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.255 9.992 -8.155 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.875 11.331 -5.534 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.523 12.060 -7.088 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.635 12.012 -5.158 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.177 11.793 -6.836 1.00 0.00 H new ATOM 249 N ALA A 15 13.121 6.785 -6.128 1.00 0.00 N ATOM 250 CA ALA A 15 13.716 5.681 -5.395 1.00 0.00 C ATOM 251 C ALA A 15 15.230 5.815 -5.368 1.00 0.00 C ATOM 252 O ALA A 15 15.885 5.671 -6.402 1.00 0.00 O ATOM 253 CB ALA A 15 13.335 4.357 -6.033 1.00 0.00 C ATOM 0 H ALA A 15 12.898 6.571 -7.100 1.00 0.00 H new ATOM 0 HA ALA A 15 13.338 5.708 -4.373 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.788 3.539 -5.473 1.00 0.00 H new ATOM 0 HB2 ALA A 15 12.251 4.247 -6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.692 4.333 -7.063 1.00 0.00 H new ATOM 259 N GLU A 16 15.782 6.086 -4.199 1.00 0.00 N ATOM 260 CA GLU A 16 17.217 6.214 -4.054 1.00 0.00 C ATOM 261 C GLU A 16 17.712 5.222 -3.011 1.00 0.00 C ATOM 262 O GLU A 16 17.274 5.236 -1.861 1.00 0.00 O ATOM 263 CB GLU A 16 17.565 7.652 -3.657 1.00 0.00 C ATOM 264 CG GLU A 16 18.942 8.143 -4.099 1.00 0.00 C ATOM 265 CD GLU A 16 20.100 7.650 -3.258 1.00 0.00 C ATOM 266 OE1 GLU A 16 20.725 6.647 -3.643 1.00 0.00 O ATOM 267 OE2 GLU A 16 20.428 8.295 -2.240 1.00 0.00 O ATOM 0 H GLU A 16 15.255 6.222 -3.336 1.00 0.00 H new ATOM 0 HA GLU A 16 17.709 5.991 -5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 16 16.810 8.318 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 16 17.500 7.737 -2.572 1.00 0.00 H new ATOM 0 HG2 GLU A 16 19.106 7.835 -5.132 1.00 0.00 H new ATOM 0 HG3 GLU A 16 18.943 9.233 -4.087 1.00 0.00 H new ATOM 274 N ASN A 17 18.589 4.341 -3.441 1.00 0.00 N ATOM 275 CA ASN A 17 19.119 3.292 -2.567 1.00 0.00 C ATOM 276 C ASN A 17 20.164 3.849 -1.618 1.00 0.00 C ATOM 277 O ASN A 17 21.193 4.380 -2.033 1.00 0.00 O ATOM 278 CB ASN A 17 19.668 2.107 -3.381 1.00 0.00 C ATOM 279 CG ASN A 17 20.656 1.225 -2.616 1.00 0.00 C ATOM 280 OD1 ASN A 17 20.606 1.100 -1.392 1.00 0.00 O ATOM 281 ND2 ASN A 17 21.546 0.576 -3.343 1.00 0.00 N ATOM 0 H ASN A 17 18.957 4.322 -4.392 1.00 0.00 H new ATOM 0 HA ASN A 17 18.294 2.914 -1.963 1.00 0.00 H new ATOM 0 HB2 ASN A 17 18.832 1.492 -3.715 1.00 0.00 H new ATOM 0 HB3 ASN A 17 20.158 2.491 -4.275 1.00 0.00 H new ATOM 0 HD21 ASN A 17 22.215 -0.048 -2.892 1.00 0.00 H new ATOM 0 HD22 ASN A 17 21.565 0.699 -4.355 1.00 0.00 H new ATOM 288 N GLY A 18 19.893 3.689 -0.337 1.00 0.00 N ATOM 289 CA GLY A 18 20.717 4.284 0.687 1.00 0.00 C ATOM 290 C GLY A 18 20.164 5.623 1.109 1.00 0.00 C ATOM 291 O GLY A 18 20.817 6.385 1.822 1.00 0.00 O ATOM 0 H GLY A 18 19.104 3.148 0.016 1.00 0.00 H new ATOM 0 HA2 GLY A 18 20.770 3.619 1.549 1.00 0.00 H new ATOM 0 HA3 GLY A 18 21.735 4.406 0.316 1.00 0.00 H new ATOM 295 N LYS A 19 18.946 5.899 0.671 1.00 0.00 N ATOM 296 CA LYS A 19 18.321 7.186 0.889 1.00 0.00 C ATOM 297 C LYS A 19 17.016 7.031 1.640 1.00 0.00 C ATOM 298 O LYS A 19 16.252 6.100 1.391 1.00 0.00 O ATOM 299 CB LYS A 19 18.042 7.840 -0.457 1.00 0.00 C ATOM 300 CG LYS A 19 17.618 9.304 -0.388 1.00 0.00 C ATOM 301 CD LYS A 19 18.809 10.251 -0.301 1.00 0.00 C ATOM 302 CE LYS A 19 18.424 11.575 0.359 1.00 0.00 C ATOM 303 NZ LYS A 19 17.768 11.364 1.674 1.00 0.00 N ATOM 0 H LYS A 19 18.367 5.236 0.156 1.00 0.00 H new ATOM 0 HA LYS A 19 18.996 7.804 1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 19 18.938 7.766 -1.073 1.00 0.00 H new ATOM 0 HB3 LYS A 19 17.260 7.274 -0.963 1.00 0.00 H new ATOM 0 HG2 LYS A 19 17.026 9.550 -1.269 1.00 0.00 H new ATOM 0 HG3 LYS A 19 16.975 9.453 0.480 1.00 0.00 H new ATOM 0 HD2 LYS A 19 19.610 9.779 0.268 1.00 0.00 H new ATOM 0 HD3 LYS A 19 19.198 10.441 -1.301 1.00 0.00 H new ATOM 0 HE2 LYS A 19 19.315 12.188 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 19 17.752 12.127 -0.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 17.943 12.187 2.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 16.744 11.247 1.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 18.157 10.510 2.123 1.00 0.00 H new ATOM 317 N SER A 20 16.769 7.949 2.554 1.00 0.00 N ATOM 318 CA SER A 20 15.512 7.995 3.260 1.00 0.00 C ATOM 319 C SER A 20 14.418 8.492 2.324 1.00 0.00 C ATOM 320 O SER A 20 14.589 9.499 1.632 1.00 0.00 O ATOM 321 CB SER A 20 15.645 8.914 4.460 1.00 0.00 C ATOM 322 OG SER A 20 16.680 8.479 5.330 1.00 0.00 O ATOM 0 H SER A 20 17.431 8.677 2.824 1.00 0.00 H new ATOM 0 HA SER A 20 15.245 6.997 3.607 1.00 0.00 H new ATOM 0 HB2 SER A 20 15.853 9.929 4.122 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.700 8.946 5.003 1.00 0.00 H new ATOM 0 HG SER A 20 16.744 9.090 6.093 1.00 0.00 H new ATOM 328 N ASN A 21 13.307 7.784 2.306 1.00 0.00 N ATOM 329 CA ASN A 21 12.233 8.061 1.360 1.00 0.00 C ATOM 330 C ASN A 21 10.892 7.660 1.968 1.00 0.00 C ATOM 331 O ASN A 21 10.854 7.119 3.078 1.00 0.00 O ATOM 332 CB ASN A 21 12.491 7.271 0.070 1.00 0.00 C ATOM 333 CG ASN A 21 11.833 7.896 -1.146 1.00 0.00 C ATOM 334 OD1 ASN A 21 11.729 9.116 -1.253 1.00 0.00 O ATOM 335 ND2 ASN A 21 11.341 7.065 -2.050 1.00 0.00 N ATOM 0 H ASN A 21 13.119 7.006 2.939 1.00 0.00 H new ATOM 0 HA ASN A 21 12.204 9.127 1.132 1.00 0.00 H new ATOM 0 HB2 ASN A 21 13.566 7.202 -0.099 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.122 6.253 0.193 1.00 0.00 H new ATOM 0 HD21 ASN A 21 10.856 7.431 -2.869 1.00 0.00 H new ATOM 0 HD22 ASN A 21 11.446 6.058 -1.928 1.00 0.00 H new ATOM 342 N PHE A 22 9.788 7.918 1.264 1.00 0.00 N ATOM 343 CA PHE A 22 8.463 7.594 1.786 1.00 0.00 C ATOM 344 C PHE A 22 7.725 6.666 0.815 1.00 0.00 C ATOM 345 O PHE A 22 7.774 6.860 -0.406 1.00 0.00 O ATOM 346 CB PHE A 22 7.630 8.870 2.003 1.00 0.00 C ATOM 347 CG PHE A 22 8.089 9.771 3.126 1.00 0.00 C ATOM 348 CD1 PHE A 22 7.166 10.296 4.018 1.00 0.00 C ATOM 349 CD2 PHE A 22 9.426 10.102 3.287 1.00 0.00 C ATOM 350 CE1 PHE A 22 7.567 11.128 5.047 1.00 0.00 C ATOM 351 CE2 PHE A 22 9.833 10.930 4.312 1.00 0.00 C ATOM 352 CZ PHE A 22 8.904 11.442 5.193 1.00 0.00 C ATOM 0 H PHE A 22 9.786 8.347 0.339 1.00 0.00 H new ATOM 0 HA PHE A 22 8.593 7.092 2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 22 7.632 9.445 1.077 1.00 0.00 H new ATOM 0 HB3 PHE A 22 6.597 8.579 2.195 1.00 0.00 H new ATOM 0 HD1 PHE A 22 6.120 10.052 3.907 1.00 0.00 H new ATOM 0 HD2 PHE A 22 10.159 9.706 2.600 1.00 0.00 H new ATOM 0 HE1 PHE A 22 6.837 11.531 5.734 1.00 0.00 H new ATOM 0 HE2 PHE A 22 10.878 11.177 4.425 1.00 0.00 H new ATOM 0 HZ PHE A 22 9.222 12.089 5.997 1.00 0.00 H new ATOM 362 N LEU A 23 7.050 5.659 1.361 1.00 0.00 N ATOM 363 CA LEU A 23 6.274 4.707 0.562 1.00 0.00 C ATOM 364 C LEU A 23 4.811 5.118 0.573 1.00 0.00 C ATOM 365 O LEU A 23 4.359 5.774 1.508 1.00 0.00 O ATOM 366 CB LEU A 23 6.398 3.302 1.158 1.00 0.00 C ATOM 367 CG LEU A 23 6.695 2.143 0.181 1.00 0.00 C ATOM 368 CD1 LEU A 23 6.734 0.821 0.942 1.00 0.00 C ATOM 369 CD2 LEU A 23 5.668 2.054 -0.944 1.00 0.00 C ATOM 0 H LEU A 23 7.023 5.477 2.364 1.00 0.00 H new ATOM 0 HA LEU A 23 6.656 4.704 -0.459 1.00 0.00 H new ATOM 0 HB2 LEU A 23 7.189 3.322 1.908 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.469 3.074 1.680 1.00 0.00 H new ATOM 0 HG LEU A 23 7.665 2.344 -0.274 1.00 0.00 H new ATOM 0 HD11 LEU A 23 6.944 0.007 0.248 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.515 0.861 1.701 1.00 0.00 H new ATOM 0 HD13 LEU A 23 5.771 0.649 1.422 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.921 1.224 -1.603 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.677 1.891 -0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.671 2.983 -1.514 1.00 0.00 H new ATOM 381 N ASN A 24 4.078 4.724 -0.453 1.00 0.00 N ATOM 382 CA ASN A 24 2.650 5.000 -0.539 1.00 0.00 C ATOM 383 C ASN A 24 1.903 3.762 -1.031 1.00 0.00 C ATOM 384 O ASN A 24 2.232 3.208 -2.081 1.00 0.00 O ATOM 385 CB ASN A 24 2.375 6.176 -1.490 1.00 0.00 C ATOM 386 CG ASN A 24 2.789 7.531 -0.944 1.00 0.00 C ATOM 387 OD1 ASN A 24 3.203 8.407 -1.698 1.00 0.00 O ATOM 388 ND2 ASN A 24 2.662 7.723 0.360 1.00 0.00 N ATOM 0 H ASN A 24 4.451 4.206 -1.248 1.00 0.00 H new ATOM 0 HA ASN A 24 2.297 5.266 0.458 1.00 0.00 H new ATOM 0 HB2 ASN A 24 2.900 6.000 -2.429 1.00 0.00 H new ATOM 0 HB3 ASN A 24 1.310 6.200 -1.721 1.00 0.00 H new ATOM 0 HD21 ASN A 24 2.912 8.623 0.770 1.00 0.00 H new ATOM 0 HD22 ASN A 24 2.314 6.971 0.955 1.00 0.00 H new ATOM 395 N CYS A 25 0.904 3.326 -0.277 1.00 0.00 N ATOM 396 CA CYS A 25 0.079 2.198 -0.680 1.00 0.00 C ATOM 397 C CYS A 25 -1.379 2.633 -0.652 1.00 0.00 C ATOM 398 O CYS A 25 -1.889 3.057 0.390 1.00 0.00 O ATOM 399 CB CYS A 25 0.315 1.007 0.247 1.00 0.00 C ATOM 400 SG CYS A 25 -0.122 -0.608 -0.483 1.00 0.00 S ATOM 0 H CYS A 25 0.645 3.738 0.619 1.00 0.00 H new ATOM 0 HA CYS A 25 0.343 1.883 -1.689 1.00 0.00 H new ATOM 0 HB2 CYS A 25 1.365 0.989 0.537 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -0.265 1.150 1.159 1.00 0.00 H new ATOM 405 N TYR A 26 -2.035 2.546 -1.798 1.00 0.00 N ATOM 406 CA TYR A 26 -3.382 3.067 -1.952 1.00 0.00 C ATOM 407 C TYR A 26 -4.329 1.957 -2.381 1.00 0.00 C ATOM 408 O TYR A 26 -4.250 1.463 -3.504 1.00 0.00 O ATOM 409 CB TYR A 26 -3.424 4.190 -2.998 1.00 0.00 C ATOM 410 CG TYR A 26 -2.860 5.534 -2.567 1.00 0.00 C ATOM 411 CD1 TYR A 26 -3.705 6.553 -2.127 1.00 0.00 C ATOM 412 CD2 TYR A 26 -1.498 5.815 -2.658 1.00 0.00 C ATOM 413 CE1 TYR A 26 -3.212 7.799 -1.798 1.00 0.00 C ATOM 414 CE2 TYR A 26 -1.001 7.058 -2.318 1.00 0.00 C ATOM 415 CZ TYR A 26 -1.861 8.046 -1.896 1.00 0.00 C ATOM 416 OH TYR A 26 -1.368 9.290 -1.574 1.00 0.00 O ATOM 0 H TYR A 26 -1.652 2.116 -2.640 1.00 0.00 H new ATOM 0 HA TYR A 26 -3.694 3.469 -0.988 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -2.877 3.857 -3.880 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -4.461 4.336 -3.302 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -4.765 6.363 -2.042 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -0.819 5.048 -3.000 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -3.883 8.577 -1.465 1.00 0.00 H new ATOM 0 HE2 TYR A 26 0.059 7.254 -2.383 1.00 0.00 H new ATOM 0 HH TYR A 26 -0.396 9.298 -1.696 1.00 0.00 H new ATOM 426 N VAL A 27 -5.215 1.560 -1.485 1.00 0.00 N ATOM 427 CA VAL A 27 -6.219 0.560 -1.807 1.00 0.00 C ATOM 428 C VAL A 27 -7.599 1.194 -1.678 1.00 0.00 C ATOM 429 O VAL A 27 -8.056 1.464 -0.570 1.00 0.00 O ATOM 430 CB VAL A 27 -6.129 -0.672 -0.878 1.00 0.00 C ATOM 431 CG1 VAL A 27 -6.789 -1.874 -1.532 1.00 0.00 C ATOM 432 CG2 VAL A 27 -4.686 -0.988 -0.516 1.00 0.00 C ATOM 0 H VAL A 27 -5.260 1.914 -0.529 1.00 0.00 H new ATOM 0 HA VAL A 27 -6.043 0.215 -2.826 1.00 0.00 H new ATOM 0 HB VAL A 27 -6.659 -0.437 0.045 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -6.718 -2.735 -0.867 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -7.838 -1.652 -1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -6.285 -2.099 -2.472 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -4.657 -1.859 0.138 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -4.121 -1.197 -1.424 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -4.244 -0.134 -0.002 1.00 0.00 H new ATOM 442 N SER A 28 -8.244 1.471 -2.808 1.00 0.00 N ATOM 443 CA SER A 28 -9.537 2.147 -2.795 1.00 0.00 C ATOM 444 C SER A 28 -10.433 1.653 -3.933 1.00 0.00 C ATOM 445 O SER A 28 -9.969 0.987 -4.864 1.00 0.00 O ATOM 446 CB SER A 28 -9.337 3.665 -2.891 1.00 0.00 C ATOM 447 OG SER A 28 -10.570 4.362 -2.780 1.00 0.00 O ATOM 0 H SER A 28 -7.895 1.240 -3.738 1.00 0.00 H new ATOM 0 HA SER A 28 -10.035 1.912 -1.854 1.00 0.00 H new ATOM 0 HB2 SER A 28 -8.660 3.994 -2.103 1.00 0.00 H new ATOM 0 HB3 SER A 28 -8.863 3.911 -3.841 1.00 0.00 H new ATOM 0 HG SER A 28 -10.820 4.436 -1.835 1.00 0.00 H new ATOM 453 N GLY A 29 -11.718 1.997 -3.853 1.00 0.00 N ATOM 454 CA GLY A 29 -12.681 1.564 -4.849 1.00 0.00 C ATOM 455 C GLY A 29 -13.504 0.390 -4.365 1.00 0.00 C ATOM 456 O GLY A 29 -14.006 -0.399 -5.158 1.00 0.00 O ATOM 0 H GLY A 29 -12.110 2.573 -3.108 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -13.343 2.393 -5.098 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -12.157 1.288 -5.764 1.00 0.00 H new ATOM 460 N PHE A 30 -13.632 0.275 -3.056 1.00 0.00 N ATOM 461 CA PHE A 30 -14.303 -0.863 -2.439 1.00 0.00 C ATOM 462 C PHE A 30 -15.349 -0.406 -1.421 1.00 0.00 C ATOM 463 O PHE A 30 -15.567 0.791 -1.234 1.00 0.00 O ATOM 464 CB PHE A 30 -13.262 -1.720 -1.719 1.00 0.00 C ATOM 465 CG PHE A 30 -12.573 -0.948 -0.625 1.00 0.00 C ATOM 466 CD1 PHE A 30 -13.086 -0.926 0.664 1.00 0.00 C ATOM 467 CD2 PHE A 30 -11.432 -0.217 -0.896 1.00 0.00 C ATOM 468 CE1 PHE A 30 -12.472 -0.190 1.655 1.00 0.00 C ATOM 469 CE2 PHE A 30 -10.813 0.517 0.093 1.00 0.00 C ATOM 470 CZ PHE A 30 -11.334 0.533 1.369 1.00 0.00 C ATOM 0 H PHE A 30 -13.277 0.962 -2.390 1.00 0.00 H new ATOM 0 HA PHE A 30 -14.805 -1.432 -3.222 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -13.744 -2.601 -1.296 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -12.522 -2.075 -2.436 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -13.977 -1.492 0.894 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -11.020 -0.221 -1.894 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -12.882 -0.180 2.654 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -9.919 1.080 -0.132 1.00 0.00 H new ATOM 0 HZ PHE A 30 -10.851 1.111 2.143 1.00 0.00 H new ATOM 480 N HIS A 31 -15.967 -1.379 -0.753 1.00 0.00 N ATOM 481 CA HIS A 31 -16.874 -1.111 0.371 1.00 0.00 C ATOM 482 C HIS A 31 -16.607 -2.146 1.469 1.00 0.00 C ATOM 483 O HIS A 31 -15.905 -3.130 1.217 1.00 0.00 O ATOM 484 CB HIS A 31 -18.373 -1.129 -0.032 1.00 0.00 C ATOM 485 CG HIS A 31 -18.733 -0.159 -1.116 1.00 0.00 C ATOM 486 ND1 HIS A 31 -19.242 -0.580 -2.321 1.00 0.00 N ATOM 487 CD2 HIS A 31 -18.650 1.192 -1.121 1.00 0.00 C ATOM 488 CE1 HIS A 31 -19.453 0.516 -3.026 1.00 0.00 C ATOM 489 NE2 HIS A 31 -19.110 1.616 -2.342 1.00 0.00 N ATOM 0 H HIS A 31 -15.857 -2.369 -0.971 1.00 0.00 H new ATOM 0 HA HIS A 31 -16.672 -0.101 0.729 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -18.637 -2.135 -0.359 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -18.976 -0.911 0.849 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -18.290 1.817 -0.317 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -19.852 0.525 -4.029 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -19.178 2.581 -2.666 1.00 0.00 H new ATOM 497 N PRO A 32 -17.125 -1.961 2.707 1.00 0.00 N ATOM 498 CA PRO A 32 -17.956 -0.809 3.105 1.00 0.00 C ATOM 499 C PRO A 32 -17.207 0.522 3.047 1.00 0.00 C ATOM 500 O PRO A 32 -17.506 1.367 2.204 1.00 0.00 O ATOM 501 CB PRO A 32 -18.365 -1.126 4.551 1.00 0.00 C ATOM 502 CG PRO A 32 -18.101 -2.581 4.723 1.00 0.00 C ATOM 503 CD PRO A 32 -16.946 -2.903 3.822 1.00 0.00 C ATOM 0 HA PRO A 32 -18.799 -0.684 2.426 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -17.788 -0.535 5.262 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -19.416 -0.894 4.723 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -17.863 -2.814 5.761 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -18.979 -3.170 4.458 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -15.989 -2.757 4.324 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -16.974 -3.939 3.484 1.00 0.00 H new ATOM 511 N SER A 33 -16.246 0.719 3.941 1.00 0.00 N ATOM 512 CA SER A 33 -15.415 1.913 3.933 1.00 0.00 C ATOM 513 C SER A 33 -14.082 1.571 4.587 1.00 0.00 C ATOM 514 O SER A 33 -13.320 2.449 4.990 1.00 0.00 O ATOM 515 CB SER A 33 -16.097 3.049 4.705 1.00 0.00 C ATOM 516 OG SER A 33 -17.357 3.380 4.136 1.00 0.00 O ATOM 0 H SER A 33 -16.023 0.060 4.687 1.00 0.00 H new ATOM 0 HA SER A 33 -15.261 2.246 2.907 1.00 0.00 H new ATOM 0 HB2 SER A 33 -16.232 2.754 5.745 1.00 0.00 H new ATOM 0 HB3 SER A 33 -15.454 3.929 4.704 1.00 0.00 H new ATOM 0 HG SER A 33 -17.220 3.902 3.318 1.00 0.00 H new ATOM 522 N ASP A 34 -13.815 0.274 4.668 1.00 0.00 N ATOM 523 CA ASP A 34 -12.682 -0.229 5.428 1.00 0.00 C ATOM 524 C ASP A 34 -12.064 -1.459 4.760 1.00 0.00 C ATOM 525 O ASP A 34 -12.771 -2.365 4.314 1.00 0.00 O ATOM 526 CB ASP A 34 -13.119 -0.575 6.869 1.00 0.00 C ATOM 527 CG ASP A 34 -14.089 -1.742 6.927 1.00 0.00 C ATOM 528 OD1 ASP A 34 -15.271 -1.558 6.561 1.00 0.00 O ATOM 529 OD2 ASP A 34 -13.681 -2.843 7.356 1.00 0.00 O ATOM 0 H ASP A 34 -14.371 -0.450 4.214 1.00 0.00 H new ATOM 0 HA ASP A 34 -11.925 0.555 5.459 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -12.237 -0.812 7.464 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -13.584 0.300 7.323 1.00 0.00 H new ATOM 534 N ILE A 35 -10.741 -1.455 4.672 1.00 0.00 N ATOM 535 CA ILE A 35 -9.973 -2.599 4.192 1.00 0.00 C ATOM 536 C ILE A 35 -8.695 -2.674 5.008 1.00 0.00 C ATOM 537 O ILE A 35 -8.245 -1.658 5.539 1.00 0.00 O ATOM 538 CB ILE A 35 -9.588 -2.493 2.689 1.00 0.00 C ATOM 539 CG1 ILE A 35 -9.171 -3.873 2.152 1.00 0.00 C ATOM 540 CG2 ILE A 35 -8.446 -1.500 2.491 1.00 0.00 C ATOM 541 CD1 ILE A 35 -8.298 -3.824 0.908 1.00 0.00 C ATOM 0 H ILE A 35 -10.166 -0.654 4.933 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.596 -3.487 4.303 1.00 0.00 H new ATOM 0 HB ILE A 35 -10.459 -2.138 2.138 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.636 -4.408 2.936 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -10.069 -4.449 1.929 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -8.194 -1.442 1.432 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -8.754 -0.516 2.845 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.574 -1.832 3.054 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.050 -4.839 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -8.836 -3.320 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -7.381 -3.278 1.129 1.00 0.00 H new ATOM 553 N GLU A 36 -8.118 -3.850 5.132 1.00 0.00 N ATOM 554 CA GLU A 36 -6.855 -3.986 5.825 1.00 0.00 C ATOM 555 C GLU A 36 -5.756 -4.263 4.815 1.00 0.00 C ATOM 556 O GLU A 36 -5.825 -5.235 4.051 1.00 0.00 O ATOM 557 CB GLU A 36 -6.912 -5.132 6.827 1.00 0.00 C ATOM 558 CG GLU A 36 -5.768 -5.123 7.835 1.00 0.00 C ATOM 559 CD GLU A 36 -5.951 -4.085 8.914 1.00 0.00 C ATOM 560 OE1 GLU A 36 -6.088 -4.477 10.089 1.00 0.00 O ATOM 561 OE2 GLU A 36 -5.953 -2.881 8.598 1.00 0.00 O ATOM 0 H GLU A 36 -8.501 -4.721 4.764 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.650 -3.059 6.361 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -7.859 -5.086 7.365 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.899 -6.078 6.285 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -5.686 -6.108 8.294 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -4.830 -4.936 7.312 1.00 0.00 H new ATOM 568 N VAL A 37 -4.759 -3.411 4.807 1.00 0.00 N ATOM 569 CA VAL A 37 -3.628 -3.562 3.909 1.00 0.00 C ATOM 570 C VAL A 37 -2.332 -3.370 4.683 1.00 0.00 C ATOM 571 O VAL A 37 -2.229 -2.497 5.542 1.00 0.00 O ATOM 572 CB VAL A 37 -3.715 -2.606 2.677 1.00 0.00 C ATOM 573 CG1 VAL A 37 -4.817 -1.591 2.874 1.00 0.00 C ATOM 574 CG2 VAL A 37 -2.386 -1.909 2.368 1.00 0.00 C ATOM 0 H VAL A 37 -4.704 -2.596 5.418 1.00 0.00 H new ATOM 0 HA VAL A 37 -3.648 -4.573 3.503 1.00 0.00 H new ATOM 0 HB VAL A 37 -3.949 -3.226 1.812 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -4.864 -0.932 2.007 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -5.770 -2.107 2.991 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -4.612 -1.001 3.767 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -2.509 -1.258 1.502 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.078 -1.314 3.228 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -1.624 -2.658 2.153 1.00 0.00 H new ATOM 584 N ASP A 38 -1.370 -4.214 4.384 1.00 0.00 N ATOM 585 CA ASP A 38 -0.120 -4.242 5.115 1.00 0.00 C ATOM 586 C ASP A 38 1.051 -4.215 4.146 1.00 0.00 C ATOM 587 O ASP A 38 0.961 -4.729 3.037 1.00 0.00 O ATOM 588 CB ASP A 38 -0.099 -5.471 6.042 1.00 0.00 C ATOM 589 CG ASP A 38 0.891 -6.550 5.654 1.00 0.00 C ATOM 590 OD1 ASP A 38 2.097 -6.367 5.888 1.00 0.00 O ATOM 591 OD2 ASP A 38 0.439 -7.610 5.165 1.00 0.00 O ATOM 0 H ASP A 38 -1.430 -4.899 3.630 1.00 0.00 H new ATOM 0 HA ASP A 38 -0.028 -3.356 5.743 1.00 0.00 H new ATOM 0 HB2 ASP A 38 0.127 -5.139 7.055 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -1.098 -5.907 6.065 1.00 0.00 H new ATOM 596 N LEU A 39 2.132 -3.571 4.552 1.00 0.00 N ATOM 597 CA LEU A 39 3.290 -3.416 3.684 1.00 0.00 C ATOM 598 C LEU A 39 4.343 -4.445 4.052 1.00 0.00 C ATOM 599 O LEU A 39 4.580 -4.709 5.229 1.00 0.00 O ATOM 600 CB LEU A 39 3.893 -2.012 3.791 1.00 0.00 C ATOM 601 CG LEU A 39 2.904 -0.848 3.726 1.00 0.00 C ATOM 602 CD1 LEU A 39 3.641 0.480 3.814 1.00 0.00 C ATOM 603 CD2 LEU A 39 2.071 -0.901 2.463 1.00 0.00 C ATOM 0 H LEU A 39 2.233 -3.148 5.474 1.00 0.00 H new ATOM 0 HA LEU A 39 2.960 -3.565 2.656 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.441 -1.945 4.731 1.00 0.00 H new ATOM 0 HB3 LEU A 39 4.621 -1.889 2.989 1.00 0.00 H new ATOM 0 HG LEU A 39 2.230 -0.937 4.578 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.923 1.299 3.766 1.00 0.00 H new ATOM 0 HD12 LEU A 39 4.187 0.531 4.756 1.00 0.00 H new ATOM 0 HD13 LEU A 39 4.342 0.563 2.983 1.00 0.00 H new ATOM 0 HD21 LEU A 39 1.378 -0.059 2.448 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.725 -0.848 1.593 1.00 0.00 H new ATOM 0 HD23 LEU A 39 1.509 -1.834 2.437 1.00 0.00 H new ATOM 615 N LEU A 40 4.975 -5.013 3.045 1.00 0.00 N ATOM 616 CA LEU A 40 5.907 -6.101 3.250 1.00 0.00 C ATOM 617 C LEU A 40 7.345 -5.719 2.951 1.00 0.00 C ATOM 618 O LEU A 40 7.648 -4.636 2.452 1.00 0.00 O ATOM 619 CB LEU A 40 5.556 -7.303 2.385 1.00 0.00 C ATOM 620 CG LEU A 40 4.073 -7.630 2.271 1.00 0.00 C ATOM 621 CD1 LEU A 40 3.865 -8.764 1.283 1.00 0.00 C ATOM 622 CD2 LEU A 40 3.508 -7.992 3.631 1.00 0.00 C ATOM 0 H LEU A 40 4.858 -4.736 2.070 1.00 0.00 H new ATOM 0 HA LEU A 40 5.822 -6.350 4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.949 -7.132 1.383 1.00 0.00 H new ATOM 0 HB3 LEU A 40 6.071 -8.177 2.784 1.00 0.00 H new ATOM 0 HG LEU A 40 3.543 -6.751 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 40 2.802 -8.991 1.208 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.243 -8.468 0.304 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.401 -9.649 1.626 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.447 -8.223 3.534 1.00 0.00 H new ATOM 0 HD22 LEU A 40 4.035 -8.862 4.024 1.00 0.00 H new ATOM 0 HD23 LEU A 40 3.635 -7.152 4.313 1.00 0.00 H new ATOM 634 N LYS A 41 8.197 -6.686 3.228 1.00 0.00 N ATOM 635 CA LYS A 41 9.628 -6.591 3.010 1.00 0.00 C ATOM 636 C LYS A 41 10.174 -7.971 2.724 1.00 0.00 C ATOM 637 O LYS A 41 10.360 -8.766 3.641 1.00 0.00 O ATOM 638 CB LYS A 41 10.340 -5.971 4.199 1.00 0.00 C ATOM 639 CG LYS A 41 10.310 -4.453 4.191 1.00 0.00 C ATOM 640 CD LYS A 41 10.754 -3.895 5.535 1.00 0.00 C ATOM 641 CE LYS A 41 10.810 -2.378 5.543 1.00 0.00 C ATOM 642 NZ LYS A 41 11.268 -1.853 6.857 1.00 0.00 N ATOM 0 H LYS A 41 7.907 -7.582 3.620 1.00 0.00 H new ATOM 0 HA LYS A 41 9.807 -5.937 2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 41 9.879 -6.332 5.118 1.00 0.00 H new ATOM 0 HB3 LYS A 41 11.377 -6.307 4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.962 -4.076 3.403 1.00 0.00 H new ATOM 0 HG3 LYS A 41 9.302 -4.106 3.964 1.00 0.00 H new ATOM 0 HD2 LYS A 41 10.068 -4.234 6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 41 11.738 -4.293 5.783 1.00 0.00 H new ATOM 0 HE2 LYS A 41 11.484 -2.034 4.758 1.00 0.00 H new ATOM 0 HE3 LYS A 41 9.823 -1.976 5.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 11.294 -0.814 6.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 10.611 -2.161 7.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 12.220 -2.217 7.064 1.00 0.00 H new ATOM 656 N ASN A 42 10.386 -8.264 1.445 1.00 0.00 N ATOM 657 CA ASN A 42 10.812 -9.596 0.991 1.00 0.00 C ATOM 658 C ASN A 42 9.696 -10.627 1.205 1.00 0.00 C ATOM 659 O ASN A 42 9.710 -11.708 0.620 1.00 0.00 O ATOM 660 CB ASN A 42 12.104 -10.042 1.710 1.00 0.00 C ATOM 661 CG ASN A 42 13.248 -9.054 1.530 1.00 0.00 C ATOM 662 OD1 ASN A 42 13.994 -9.122 0.556 1.00 0.00 O ATOM 663 ND2 ASN A 42 13.411 -8.149 2.486 1.00 0.00 N ATOM 0 H ASN A 42 10.269 -7.589 0.689 1.00 0.00 H new ATOM 0 HA ASN A 42 11.023 -9.532 -0.076 1.00 0.00 H new ATOM 0 HB2 ASN A 42 11.899 -10.164 2.774 1.00 0.00 H new ATOM 0 HB3 ASN A 42 12.408 -11.017 1.330 1.00 0.00 H new ATOM 0 HD21 ASN A 42 14.177 -7.478 2.428 1.00 0.00 H new ATOM 0 HD22 ASN A 42 12.770 -8.124 3.279 1.00 0.00 H new ATOM 670 N GLY A 43 8.735 -10.275 2.051 1.00 0.00 N ATOM 671 CA GLY A 43 7.594 -11.123 2.309 1.00 0.00 C ATOM 672 C GLY A 43 7.123 -11.006 3.747 1.00 0.00 C ATOM 673 O GLY A 43 6.170 -11.671 4.148 1.00 0.00 O ATOM 0 H GLY A 43 8.731 -9.398 2.571 1.00 0.00 H new ATOM 0 HA2 GLY A 43 6.780 -10.853 1.636 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.855 -12.159 2.094 1.00 0.00 H new ATOM 677 N GLU A 44 7.791 -10.155 4.523 1.00 0.00 N ATOM 678 CA GLU A 44 7.472 -9.988 5.931 1.00 0.00 C ATOM 679 C GLU A 44 6.614 -8.754 6.138 1.00 0.00 C ATOM 680 O GLU A 44 6.725 -7.788 5.392 1.00 0.00 O ATOM 681 CB GLU A 44 8.764 -9.846 6.724 1.00 0.00 C ATOM 682 CG GLU A 44 9.434 -8.489 6.562 1.00 0.00 C ATOM 683 CD GLU A 44 10.704 -8.346 7.370 1.00 0.00 C ATOM 684 OE1 GLU A 44 10.678 -8.641 8.580 1.00 0.00 O ATOM 685 OE2 GLU A 44 11.732 -7.915 6.802 1.00 0.00 O ATOM 0 H GLU A 44 8.559 -9.570 4.194 1.00 0.00 H new ATOM 0 HA GLU A 44 6.918 -10.861 6.275 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.552 -10.013 7.780 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.460 -10.625 6.411 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.662 -8.328 5.508 1.00 0.00 H new ATOM 0 HG3 GLU A 44 8.733 -7.708 6.859 1.00 0.00 H new ATOM 692 N ARG A 45 5.757 -8.801 7.137 1.00 0.00 N ATOM 693 CA ARG A 45 4.939 -7.653 7.491 1.00 0.00 C ATOM 694 C ARG A 45 5.777 -6.578 8.179 1.00 0.00 C ATOM 695 O ARG A 45 6.570 -6.871 9.076 1.00 0.00 O ATOM 696 CB ARG A 45 3.801 -8.089 8.413 1.00 0.00 C ATOM 697 CG ARG A 45 2.861 -6.949 8.798 1.00 0.00 C ATOM 698 CD ARG A 45 1.593 -7.433 9.498 1.00 0.00 C ATOM 699 NE ARG A 45 0.883 -6.331 10.144 1.00 0.00 N ATOM 700 CZ ARG A 45 -0.441 -6.266 10.279 1.00 0.00 C ATOM 701 NH1 ARG A 45 -1.219 -7.227 9.793 1.00 0.00 N ATOM 702 NH2 ARG A 45 -0.992 -5.228 10.894 1.00 0.00 N ATOM 0 H ARG A 45 5.607 -9.623 7.721 1.00 0.00 H new ATOM 0 HA ARG A 45 4.524 -7.233 6.575 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.226 -8.874 7.922 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.224 -8.523 9.319 1.00 0.00 H new ATOM 0 HG2 ARG A 45 3.389 -6.255 9.453 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.585 -6.394 7.901 1.00 0.00 H new ATOM 0 HD2 ARG A 45 0.937 -7.914 8.773 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.852 -8.186 10.242 1.00 0.00 H new ATOM 0 HE ARG A 45 1.438 -5.560 10.516 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.804 -8.024 9.311 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -2.231 -7.167 9.902 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -0.402 -4.482 11.262 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -2.005 -5.176 10.998 1.00 0.00 H new ATOM 716 N ILE A 46 5.602 -5.342 7.744 1.00 0.00 N ATOM 717 CA ILE A 46 6.262 -4.206 8.355 1.00 0.00 C ATOM 718 C ILE A 46 5.389 -3.643 9.463 1.00 0.00 C ATOM 719 O ILE A 46 4.171 -3.545 9.316 1.00 0.00 O ATOM 720 CB ILE A 46 6.520 -3.088 7.326 1.00 0.00 C ATOM 721 CG1 ILE A 46 7.332 -3.618 6.155 1.00 0.00 C ATOM 722 CG2 ILE A 46 7.243 -1.915 7.975 1.00 0.00 C ATOM 723 CD1 ILE A 46 7.419 -2.640 5.004 1.00 0.00 C ATOM 0 H ILE A 46 4.999 -5.100 6.958 1.00 0.00 H new ATOM 0 HA ILE A 46 7.216 -4.551 8.753 1.00 0.00 H new ATOM 0 HB ILE A 46 5.556 -2.740 6.955 1.00 0.00 H new ATOM 0 HG12 ILE A 46 8.339 -3.858 6.497 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.885 -4.547 5.802 1.00 0.00 H new ATOM 0 HG21 ILE A 46 7.415 -1.137 7.231 1.00 0.00 H new ATOM 0 HG22 ILE A 46 6.633 -1.514 8.784 1.00 0.00 H new ATOM 0 HG23 ILE A 46 8.199 -2.253 8.375 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.011 -3.076 4.200 1.00 0.00 H new ATOM 0 HD12 ILE A 46 6.416 -2.419 4.638 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.892 -1.719 5.344 1.00 0.00 H new ATOM 735 N GLU A 47 6.005 -3.273 10.567 1.00 0.00 N ATOM 736 CA GLU A 47 5.267 -2.697 11.683 1.00 0.00 C ATOM 737 C GLU A 47 5.320 -1.176 11.647 1.00 0.00 C ATOM 738 O GLU A 47 4.372 -0.508 12.058 1.00 0.00 O ATOM 739 CB GLU A 47 5.783 -3.194 13.044 1.00 0.00 C ATOM 740 CG GLU A 47 7.250 -3.588 13.082 1.00 0.00 C ATOM 741 CD GLU A 47 7.494 -4.993 12.568 1.00 0.00 C ATOM 742 OE1 GLU A 47 8.124 -5.138 11.498 1.00 0.00 O ATOM 743 OE2 GLU A 47 7.049 -5.956 13.226 1.00 0.00 O ATOM 0 H GLU A 47 7.010 -3.358 10.720 1.00 0.00 H new ATOM 0 HA GLU A 47 4.234 -3.027 11.571 1.00 0.00 H new ATOM 0 HB2 GLU A 47 5.615 -2.412 13.784 1.00 0.00 H new ATOM 0 HB3 GLU A 47 5.186 -4.054 13.348 1.00 0.00 H new ATOM 0 HG2 GLU A 47 7.827 -2.882 12.484 1.00 0.00 H new ATOM 0 HG3 GLU A 47 7.616 -3.512 14.106 1.00 0.00 H new ATOM 750 N LYS A 48 6.445 -0.629 11.182 1.00 0.00 N ATOM 751 CA LYS A 48 6.601 0.822 11.035 1.00 0.00 C ATOM 752 C LYS A 48 5.552 1.437 10.104 1.00 0.00 C ATOM 753 O LYS A 48 5.502 2.654 9.939 1.00 0.00 O ATOM 754 CB LYS A 48 7.999 1.154 10.508 1.00 0.00 C ATOM 755 CG LYS A 48 9.096 0.277 11.097 1.00 0.00 C ATOM 756 CD LYS A 48 10.363 1.056 11.435 1.00 0.00 C ATOM 757 CE LYS A 48 10.218 1.877 12.712 1.00 0.00 C ATOM 758 NZ LYS A 48 9.355 3.076 12.532 1.00 0.00 N ATOM 0 H LYS A 48 7.263 -1.169 10.900 1.00 0.00 H new ATOM 0 HA LYS A 48 6.459 1.253 12.026 1.00 0.00 H new ATOM 0 HB2 LYS A 48 8.004 1.048 9.423 1.00 0.00 H new ATOM 0 HB3 LYS A 48 8.223 2.198 10.728 1.00 0.00 H new ATOM 0 HG2 LYS A 48 8.722 -0.207 11.999 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.341 -0.515 10.389 1.00 0.00 H new ATOM 0 HD2 LYS A 48 11.195 0.361 11.546 1.00 0.00 H new ATOM 0 HD3 LYS A 48 10.610 1.719 10.606 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.799 1.248 13.497 1.00 0.00 H new ATOM 0 HE3 LYS A 48 11.205 2.193 13.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.564 3.770 13.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.541 3.501 11.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 8.355 2.796 12.590 1.00 0.00 H new ATOM 772 N VAL A 49 4.746 0.595 9.475 1.00 0.00 N ATOM 773 CA VAL A 49 3.652 1.059 8.638 1.00 0.00 C ATOM 774 C VAL A 49 2.601 1.774 9.465 1.00 0.00 C ATOM 775 O VAL A 49 2.215 1.307 10.539 1.00 0.00 O ATOM 776 CB VAL A 49 2.979 -0.108 7.902 1.00 0.00 C ATOM 777 CG1 VAL A 49 1.846 0.396 7.017 1.00 0.00 C ATOM 778 CG2 VAL A 49 4.006 -0.872 7.094 1.00 0.00 C ATOM 0 H VAL A 49 4.831 -0.420 9.530 1.00 0.00 H new ATOM 0 HA VAL A 49 4.081 1.748 7.911 1.00 0.00 H new ATOM 0 HB VAL A 49 2.547 -0.787 8.637 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.382 -0.447 6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.101 0.901 7.632 1.00 0.00 H new ATOM 0 HG13 VAL A 49 2.243 1.095 6.281 1.00 0.00 H new ATOM 0 HG21 VAL A 49 3.520 -1.698 6.575 1.00 0.00 H new ATOM 0 HG22 VAL A 49 4.464 -0.205 6.364 1.00 0.00 H new ATOM 0 HG23 VAL A 49 4.775 -1.264 7.760 1.00 0.00 H new ATOM 788 N GLU A 50 2.136 2.902 8.959 1.00 0.00 N ATOM 789 CA GLU A 50 1.107 3.659 9.630 1.00 0.00 C ATOM 790 C GLU A 50 -0.010 4.011 8.665 1.00 0.00 C ATOM 791 O GLU A 50 0.231 4.296 7.489 1.00 0.00 O ATOM 792 CB GLU A 50 1.679 4.937 10.241 1.00 0.00 C ATOM 793 CG GLU A 50 2.834 4.685 11.191 1.00 0.00 C ATOM 794 CD GLU A 50 3.274 5.933 11.919 1.00 0.00 C ATOM 795 OE1 GLU A 50 4.020 6.745 11.332 1.00 0.00 O ATOM 796 OE2 GLU A 50 2.883 6.105 13.092 1.00 0.00 O ATOM 0 H GLU A 50 2.459 3.311 8.082 1.00 0.00 H new ATOM 0 HA GLU A 50 0.706 3.038 10.431 1.00 0.00 H new ATOM 0 HB2 GLU A 50 2.014 5.596 9.440 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.887 5.462 10.775 1.00 0.00 H new ATOM 0 HG2 GLU A 50 2.541 3.929 11.919 1.00 0.00 H new ATOM 0 HG3 GLU A 50 3.677 4.279 10.632 1.00 0.00 H new ATOM 803 N HIS A 51 -1.223 3.975 9.171 1.00 0.00 N ATOM 804 CA HIS A 51 -2.393 4.431 8.411 1.00 0.00 C ATOM 805 C HIS A 51 -3.054 5.578 9.153 1.00 0.00 C ATOM 806 O HIS A 51 -3.256 5.526 10.367 1.00 0.00 O ATOM 807 CB HIS A 51 -3.421 3.300 8.115 1.00 0.00 C ATOM 808 CG HIS A 51 -4.769 3.772 7.644 1.00 0.00 C ATOM 809 ND1 HIS A 51 -5.101 4.538 6.582 1.00 0.00 N flip ATOM 810 CD2 HIS A 51 -5.913 3.430 8.320 1.00 0.00 C flip ATOM 811 CE1 HIS A 51 -6.467 4.681 6.597 1.00 0.00 C flip ATOM 812 NE2 HIS A 51 -6.908 3.994 7.663 1.00 0.00 N flip ATOM 0 H HIS A 51 -1.438 3.635 10.108 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.037 4.767 7.437 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.001 2.637 7.359 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.556 2.707 9.020 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -4.458 4.936 5.897 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.984 2.822 9.210 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -7.067 5.236 5.891 1.00 0.00 H new ATOM 820 N SER A 52 -3.342 6.619 8.404 1.00 0.00 N ATOM 821 CA SER A 52 -3.952 7.834 8.944 1.00 0.00 C ATOM 822 C SER A 52 -5.447 7.619 9.192 1.00 0.00 C ATOM 823 O SER A 52 -5.981 6.562 8.879 1.00 0.00 O ATOM 824 CB SER A 52 -3.727 8.994 7.966 1.00 0.00 C ATOM 825 OG SER A 52 -4.123 10.238 8.521 1.00 0.00 O ATOM 0 H SER A 52 -3.163 6.656 7.400 1.00 0.00 H new ATOM 0 HA SER A 52 -3.485 8.077 9.899 1.00 0.00 H new ATOM 0 HB2 SER A 52 -2.673 9.038 7.691 1.00 0.00 H new ATOM 0 HB3 SER A 52 -4.288 8.810 7.050 1.00 0.00 H new ATOM 0 HG SER A 52 -3.963 10.953 7.870 1.00 0.00 H new ATOM 973 N PHE A 62 -14.357 6.179 -0.851 1.00 0.00 N ATOM 974 CA PHE A 62 -13.546 6.539 0.303 1.00 0.00 C ATOM 975 C PHE A 62 -12.125 6.017 0.116 1.00 0.00 C ATOM 976 O PHE A 62 -11.915 4.968 -0.499 1.00 0.00 O ATOM 977 CB PHE A 62 -14.152 5.952 1.588 1.00 0.00 C ATOM 978 CG PHE A 62 -15.653 6.095 1.710 1.00 0.00 C ATOM 979 CD1 PHE A 62 -16.502 5.168 1.112 1.00 0.00 C ATOM 980 CD2 PHE A 62 -16.220 7.136 2.439 1.00 0.00 C ATOM 981 CE1 PHE A 62 -17.875 5.276 1.236 1.00 0.00 C ATOM 982 CE2 PHE A 62 -17.598 7.247 2.563 1.00 0.00 C ATOM 983 CZ PHE A 62 -18.422 6.315 1.961 1.00 0.00 C ATOM 0 HA PHE A 62 -13.524 7.625 0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -13.897 4.893 1.641 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -13.685 6.436 2.446 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -16.082 4.352 0.543 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -15.581 7.866 2.914 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -18.519 4.548 0.766 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -18.026 8.061 3.129 1.00 0.00 H new ATOM 0 HZ PHE A 62 -19.494 6.400 2.058 1.00 0.00 H new ATOM 993 N TYR A 63 -11.155 6.746 0.645 1.00 0.00 N ATOM 994 CA TYR A 63 -9.753 6.414 0.439 1.00 0.00 C ATOM 995 C TYR A 63 -9.127 5.918 1.736 1.00 0.00 C ATOM 996 O TYR A 63 -9.531 6.330 2.820 1.00 0.00 O ATOM 997 CB TYR A 63 -8.993 7.652 -0.060 1.00 0.00 C ATOM 998 CG TYR A 63 -9.762 8.469 -1.069 1.00 0.00 C ATOM 999 CD1 TYR A 63 -10.318 9.691 -0.717 1.00 0.00 C ATOM 1000 CD2 TYR A 63 -9.936 8.015 -2.370 1.00 0.00 C ATOM 1001 CE1 TYR A 63 -11.028 10.441 -1.633 1.00 0.00 C ATOM 1002 CE2 TYR A 63 -10.645 8.760 -3.294 1.00 0.00 C ATOM 1003 CZ TYR A 63 -11.189 9.973 -2.919 1.00 0.00 C ATOM 1004 OH TYR A 63 -11.897 10.720 -3.833 1.00 0.00 O ATOM 0 H TYR A 63 -11.313 7.573 1.221 1.00 0.00 H new ATOM 0 HA TYR A 63 -9.689 5.622 -0.308 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -8.745 8.284 0.793 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.050 7.334 -0.506 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -10.193 10.061 0.290 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.511 7.066 -2.664 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -11.455 11.390 -1.343 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.773 8.396 -4.303 1.00 0.00 H new ATOM 0 HH TYR A 63 -11.918 10.251 -4.693 1.00 0.00 H new ATOM 1014 N LEU A 64 -8.156 5.023 1.626 1.00 0.00 N ATOM 1015 CA LEU A 64 -7.407 4.568 2.788 1.00 0.00 C ATOM 1016 C LEU A 64 -5.943 4.403 2.410 1.00 0.00 C ATOM 1017 O LEU A 64 -5.614 3.804 1.383 1.00 0.00 O ATOM 1018 CB LEU A 64 -8.050 3.282 3.339 1.00 0.00 C ATOM 1019 CG LEU A 64 -7.283 2.500 4.410 1.00 0.00 C ATOM 1020 CD1 LEU A 64 -8.277 1.778 5.295 1.00 0.00 C ATOM 1021 CD2 LEU A 64 -6.346 1.493 3.769 1.00 0.00 C ATOM 0 H LEU A 64 -7.869 4.598 0.745 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.442 5.304 3.591 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.025 3.545 3.750 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.229 2.611 2.499 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.688 3.195 5.002 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.742 1.218 6.062 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.936 2.505 5.770 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -8.870 1.091 4.691 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.811 0.948 4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -6.923 0.792 3.166 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -5.631 2.015 3.134 1.00 0.00 H new ATOM 1033 N LEU A 65 -5.074 4.962 3.240 1.00 0.00 N ATOM 1034 CA LEU A 65 -3.670 5.080 2.899 1.00 0.00 C ATOM 1035 C LEU A 65 -2.776 4.405 3.934 1.00 0.00 C ATOM 1036 O LEU A 65 -2.758 4.783 5.101 1.00 0.00 O ATOM 1037 CB LEU A 65 -3.297 6.560 2.790 1.00 0.00 C ATOM 1038 CG LEU A 65 -2.138 6.898 1.849 1.00 0.00 C ATOM 1039 CD1 LEU A 65 -1.911 8.400 1.801 1.00 0.00 C ATOM 1040 CD2 LEU A 65 -0.856 6.197 2.257 1.00 0.00 C ATOM 0 H LEU A 65 -5.320 5.340 4.155 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.513 4.578 1.944 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.178 7.112 2.461 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.047 6.924 3.786 1.00 0.00 H new ATOM 0 HG LEU A 65 -2.414 6.542 0.856 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.083 8.622 1.127 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.814 8.893 1.441 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -1.673 8.764 2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.059 6.464 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.578 6.505 3.265 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.009 5.118 2.236 1.00 0.00 H new ATOM 1052 N TYR A 66 -1.996 3.447 3.481 1.00 0.00 N ATOM 1053 CA TYR A 66 -1.037 2.769 4.340 1.00 0.00 C ATOM 1054 C TYR A 66 0.372 3.069 3.859 1.00 0.00 C ATOM 1055 O TYR A 66 0.736 2.731 2.735 1.00 0.00 O ATOM 1056 CB TYR A 66 -1.277 1.258 4.357 1.00 0.00 C ATOM 1057 CG TYR A 66 -2.193 0.770 5.459 1.00 0.00 C ATOM 1058 CD1 TYR A 66 -1.690 0.481 6.724 1.00 0.00 C ATOM 1059 CD2 TYR A 66 -3.545 0.564 5.232 1.00 0.00 C ATOM 1060 CE1 TYR A 66 -2.512 0.009 7.730 1.00 0.00 C ATOM 1061 CE2 TYR A 66 -4.371 0.093 6.231 1.00 0.00 C ATOM 1062 CZ TYR A 66 -3.850 -0.188 7.477 1.00 0.00 C ATOM 1063 OH TYR A 66 -4.672 -0.647 8.481 1.00 0.00 O ATOM 0 H TYR A 66 -2.005 3.115 2.516 1.00 0.00 H new ATOM 0 HA TYR A 66 -1.164 3.137 5.358 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.698 0.961 3.396 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.316 0.753 4.453 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -0.639 0.628 6.923 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.958 0.776 4.257 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.107 -0.204 8.708 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -5.423 -0.055 6.038 1.00 0.00 H new ATOM 0 HH TYR A 66 -5.189 -1.414 8.156 1.00 0.00 H new ATOM 1073 N TYR A 67 1.156 3.730 4.693 1.00 0.00 N ATOM 1074 CA TYR A 67 2.505 4.121 4.292 1.00 0.00 C ATOM 1075 C TYR A 67 3.526 3.842 5.382 1.00 0.00 C ATOM 1076 O TYR A 67 3.177 3.619 6.540 1.00 0.00 O ATOM 1077 CB TYR A 67 2.545 5.608 3.897 1.00 0.00 C ATOM 1078 CG TYR A 67 2.246 6.577 5.021 1.00 0.00 C ATOM 1079 CD1 TYR A 67 3.271 7.090 5.804 1.00 0.00 C ATOM 1080 CD2 TYR A 67 0.946 6.994 5.287 1.00 0.00 C ATOM 1081 CE1 TYR A 67 3.014 7.988 6.819 1.00 0.00 C ATOM 1082 CE2 TYR A 67 0.680 7.893 6.304 1.00 0.00 C ATOM 1083 CZ TYR A 67 1.720 8.387 7.067 1.00 0.00 C ATOM 1084 OH TYR A 67 1.470 9.288 8.077 1.00 0.00 O ATOM 0 H TYR A 67 0.892 4.006 5.639 1.00 0.00 H new ATOM 0 HA TYR A 67 2.771 3.515 3.426 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.532 5.835 3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.827 5.774 3.094 1.00 0.00 H new ATOM 0 HD1 TYR A 67 4.288 6.780 5.615 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.132 6.610 4.690 1.00 0.00 H new ATOM 0 HE1 TYR A 67 3.825 8.377 7.417 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.335 8.207 6.500 1.00 0.00 H new ATOM 0 HH TYR A 67 0.508 9.468 8.124 1.00 0.00 H new ATOM 1094 N THR A 68 4.790 3.847 4.994 1.00 0.00 N ATOM 1095 CA THR A 68 5.880 3.666 5.935 1.00 0.00 C ATOM 1096 C THR A 68 7.125 4.372 5.411 1.00 0.00 C ATOM 1097 O THR A 68 7.357 4.433 4.198 1.00 0.00 O ATOM 1098 CB THR A 68 6.185 2.166 6.189 1.00 0.00 C ATOM 1099 OG1 THR A 68 7.081 2.024 7.298 1.00 0.00 O ATOM 1100 CG2 THR A 68 6.789 1.494 4.959 1.00 0.00 C ATOM 0 H THR A 68 5.087 3.975 4.027 1.00 0.00 H new ATOM 0 HA THR A 68 5.578 4.102 6.888 1.00 0.00 H new ATOM 0 HB THR A 68 5.238 1.675 6.414 1.00 0.00 H new ATOM 0 HG1 THR A 68 7.513 1.145 7.259 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.988 0.445 5.178 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.090 1.564 4.126 1.00 0.00 H new ATOM 0 HG23 THR A 68 7.721 1.992 4.693 1.00 0.00 H new ATOM 1108 N GLU A 69 7.884 4.959 6.316 1.00 0.00 N ATOM 1109 CA GLU A 69 9.139 5.575 5.964 1.00 0.00 C ATOM 1110 C GLU A 69 10.214 4.522 5.894 1.00 0.00 C ATOM 1111 O GLU A 69 10.362 3.706 6.806 1.00 0.00 O ATOM 1112 CB GLU A 69 9.491 6.628 7.000 1.00 0.00 C ATOM 1113 CG GLU A 69 8.318 7.505 7.303 1.00 0.00 C ATOM 1114 CD GLU A 69 8.643 8.631 8.257 1.00 0.00 C ATOM 1115 OE1 GLU A 69 9.473 9.498 7.908 1.00 0.00 O ATOM 1116 OE2 GLU A 69 8.062 8.659 9.360 1.00 0.00 O ATOM 0 H GLU A 69 7.647 5.020 7.306 1.00 0.00 H new ATOM 0 HA GLU A 69 9.056 6.055 4.989 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.831 6.142 7.915 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.319 7.237 6.636 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.938 7.925 6.372 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.519 6.897 7.728 1.00 0.00 H new ATOM 1123 N PHE A 70 10.974 4.551 4.827 1.00 0.00 N ATOM 1124 CA PHE A 70 11.946 3.503 4.580 1.00 0.00 C ATOM 1125 C PHE A 70 13.212 4.070 3.941 1.00 0.00 C ATOM 1126 O PHE A 70 13.212 5.193 3.432 1.00 0.00 O ATOM 1127 CB PHE A 70 11.340 2.376 3.711 1.00 0.00 C ATOM 1128 CG PHE A 70 10.955 2.777 2.306 1.00 0.00 C ATOM 1129 CD1 PHE A 70 10.840 1.821 1.310 1.00 0.00 C ATOM 1130 CD2 PHE A 70 10.709 4.095 1.983 1.00 0.00 C ATOM 1131 CE1 PHE A 70 10.492 2.177 0.018 1.00 0.00 C ATOM 1132 CE2 PHE A 70 10.360 4.462 0.698 1.00 0.00 C ATOM 1133 CZ PHE A 70 10.250 3.502 -0.289 1.00 0.00 C ATOM 0 H PHE A 70 10.943 5.282 4.117 1.00 0.00 H new ATOM 0 HA PHE A 70 12.222 3.070 5.541 1.00 0.00 H new ATOM 0 HB2 PHE A 70 12.059 1.559 3.653 1.00 0.00 H new ATOM 0 HB3 PHE A 70 10.455 1.988 4.215 1.00 0.00 H new ATOM 0 HD1 PHE A 70 11.024 0.783 1.545 1.00 0.00 H new ATOM 0 HD2 PHE A 70 10.791 4.853 2.748 1.00 0.00 H new ATOM 0 HE1 PHE A 70 10.410 1.420 -0.748 1.00 0.00 H new ATOM 0 HE2 PHE A 70 10.173 5.500 0.465 1.00 0.00 H new ATOM 0 HZ PHE A 70 9.976 3.786 -1.295 1.00 0.00 H new ATOM 1143 N THR A 71 14.284 3.300 3.993 1.00 0.00 N ATOM 1144 CA THR A 71 15.517 3.637 3.309 1.00 0.00 C ATOM 1145 C THR A 71 15.860 2.521 2.316 1.00 0.00 C ATOM 1146 O THR A 71 16.595 1.593 2.653 1.00 0.00 O ATOM 1147 CB THR A 71 16.674 3.821 4.317 1.00 0.00 C ATOM 1148 OG1 THR A 71 16.284 4.747 5.343 1.00 0.00 O ATOM 1149 CG2 THR A 71 17.933 4.333 3.626 1.00 0.00 C ATOM 0 H THR A 71 14.323 2.423 4.512 1.00 0.00 H new ATOM 0 HA THR A 71 15.381 4.578 2.776 1.00 0.00 H new ATOM 0 HB THR A 71 16.893 2.849 4.758 1.00 0.00 H new ATOM 0 HG1 THR A 71 17.020 4.859 5.980 1.00 0.00 H new ATOM 0 HG21 THR A 71 18.729 4.452 4.361 1.00 0.00 H new ATOM 0 HG22 THR A 71 18.246 3.619 2.865 1.00 0.00 H new ATOM 0 HG23 THR A 71 17.725 5.295 3.157 1.00 0.00 H new ATOM 1157 N PRO A 72 15.283 2.579 1.094 1.00 0.00 N ATOM 1158 CA PRO A 72 15.456 1.539 0.064 1.00 0.00 C ATOM 1159 C PRO A 72 16.911 1.148 -0.170 1.00 0.00 C ATOM 1160 O PRO A 72 17.814 1.980 -0.081 1.00 0.00 O ATOM 1161 CB PRO A 72 14.869 2.176 -1.214 1.00 0.00 C ATOM 1162 CG PRO A 72 14.569 3.605 -0.872 1.00 0.00 C ATOM 1163 CD PRO A 72 14.402 3.657 0.622 1.00 0.00 C ATOM 0 HA PRO A 72 14.966 0.614 0.367 1.00 0.00 H new ATOM 0 HB2 PRO A 72 15.578 2.114 -2.040 1.00 0.00 H new ATOM 0 HB3 PRO A 72 13.966 1.654 -1.529 1.00 0.00 H new ATOM 0 HG2 PRO A 72 15.378 4.260 -1.196 1.00 0.00 H new ATOM 0 HG3 PRO A 72 13.664 3.943 -1.376 1.00 0.00 H new ATOM 0 HD2 PRO A 72 14.697 4.625 1.027 1.00 0.00 H new ATOM 0 HD3 PRO A 72 13.366 3.490 0.918 1.00 0.00 H new ATOM 1171 N THR A 73 17.118 -0.128 -0.478 1.00 0.00 N ATOM 1172 CA THR A 73 18.439 -0.667 -0.730 1.00 0.00 C ATOM 1173 C THR A 73 18.386 -1.608 -1.930 1.00 0.00 C ATOM 1174 O THR A 73 17.298 -1.987 -2.366 1.00 0.00 O ATOM 1175 CB THR A 73 19.000 -1.433 0.494 1.00 0.00 C ATOM 1176 OG1 THR A 73 18.205 -2.595 0.754 1.00 0.00 O ATOM 1177 CG2 THR A 73 19.022 -0.556 1.735 1.00 0.00 C ATOM 0 H THR A 73 16.369 -0.815 -0.559 1.00 0.00 H new ATOM 0 HA THR A 73 19.103 0.173 -0.932 1.00 0.00 H new ATOM 0 HB THR A 73 20.023 -1.727 0.258 1.00 0.00 H new ATOM 0 HG1 THR A 73 18.568 -3.073 1.528 1.00 0.00 H new ATOM 0 HG21 THR A 73 19.421 -1.124 2.575 1.00 0.00 H new ATOM 0 HG22 THR A 73 19.652 0.315 1.554 1.00 0.00 H new ATOM 0 HG23 THR A 73 18.009 -0.229 1.967 1.00 0.00 H new ATOM 1185 N GLU A 74 19.540 -1.968 -2.469 1.00 0.00 N ATOM 1186 CA GLU A 74 19.608 -2.901 -3.590 1.00 0.00 C ATOM 1187 C GLU A 74 19.113 -4.292 -3.175 1.00 0.00 C ATOM 1188 O GLU A 74 18.437 -4.987 -3.933 1.00 0.00 O ATOM 1189 CB GLU A 74 21.058 -3.013 -4.073 1.00 0.00 C ATOM 1190 CG GLU A 74 21.254 -2.849 -5.555 1.00 0.00 C ATOM 1191 CD GLU A 74 21.288 -1.395 -5.977 1.00 0.00 C ATOM 1192 OE1 GLU A 74 20.285 -0.902 -6.528 1.00 0.00 O ATOM 1193 OE2 GLU A 74 22.327 -0.733 -5.751 1.00 0.00 O ATOM 0 H GLU A 74 20.447 -1.629 -2.149 1.00 0.00 H new ATOM 0 HA GLU A 74 18.970 -2.524 -4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 74 21.655 -2.260 -3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 74 21.449 -3.986 -3.777 1.00 0.00 H new ATOM 0 HG2 GLU A 74 22.185 -3.332 -5.851 1.00 0.00 H new ATOM 0 HG3 GLU A 74 20.449 -3.359 -6.084 1.00 0.00 H new ATOM 1200 N LYS A 75 19.480 -4.681 -1.961 1.00 0.00 N ATOM 1201 CA LYS A 75 19.217 -6.018 -1.451 1.00 0.00 C ATOM 1202 C LYS A 75 17.847 -6.197 -0.796 1.00 0.00 C ATOM 1203 O LYS A 75 17.341 -7.319 -0.750 1.00 0.00 O ATOM 1204 CB LYS A 75 20.318 -6.414 -0.474 1.00 0.00 C ATOM 1205 CG LYS A 75 21.661 -6.599 -1.169 1.00 0.00 C ATOM 1206 CD LYS A 75 21.456 -7.371 -2.452 1.00 0.00 C ATOM 1207 CE LYS A 75 22.669 -7.318 -3.359 1.00 0.00 C ATOM 1208 NZ LYS A 75 22.367 -7.887 -4.698 1.00 0.00 N ATOM 0 H LYS A 75 19.969 -4.076 -1.302 1.00 0.00 H new ATOM 0 HA LYS A 75 19.208 -6.674 -2.321 1.00 0.00 H new ATOM 0 HB2 LYS A 75 20.411 -5.648 0.296 1.00 0.00 H new ATOM 0 HB3 LYS A 75 20.040 -7.340 0.029 1.00 0.00 H new ATOM 0 HG2 LYS A 75 22.110 -5.629 -1.382 1.00 0.00 H new ATOM 0 HG3 LYS A 75 22.351 -7.133 -0.516 1.00 0.00 H new ATOM 0 HD2 LYS A 75 21.228 -8.410 -2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 75 20.592 -6.968 -2.981 1.00 0.00 H new ATOM 0 HE2 LYS A 75 23.000 -6.285 -3.467 1.00 0.00 H new ATOM 0 HE3 LYS A 75 23.491 -7.871 -2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 23.216 -7.837 -5.296 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 22.074 -8.880 -4.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 21.599 -7.343 -5.141 1.00 0.00 H new ATOM 1222 N ASP A 76 17.241 -5.140 -0.272 1.00 0.00 N ATOM 1223 CA ASP A 76 15.933 -5.302 0.365 1.00 0.00 C ATOM 1224 C ASP A 76 14.806 -5.164 -0.650 1.00 0.00 C ATOM 1225 O ASP A 76 15.037 -4.819 -1.807 1.00 0.00 O ATOM 1226 CB ASP A 76 15.727 -4.317 1.514 1.00 0.00 C ATOM 1227 CG ASP A 76 15.566 -5.024 2.845 1.00 0.00 C ATOM 1228 OD1 ASP A 76 16.594 -5.349 3.479 1.00 0.00 O ATOM 1229 OD2 ASP A 76 14.413 -5.261 3.265 1.00 0.00 O ATOM 0 H ASP A 76 17.614 -4.191 -0.271 1.00 0.00 H new ATOM 0 HA ASP A 76 15.911 -6.309 0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 76 16.577 -3.637 1.565 1.00 0.00 H new ATOM 0 HB3 ASP A 76 14.844 -3.709 1.317 1.00 0.00 H new ATOM 1234 N GLU A 77 13.587 -5.429 -0.202 1.00 0.00 N ATOM 1235 CA GLU A 77 12.429 -5.466 -1.084 1.00 0.00 C ATOM 1236 C GLU A 77 11.183 -5.133 -0.282 1.00 0.00 C ATOM 1237 O GLU A 77 11.069 -5.538 0.868 1.00 0.00 O ATOM 1238 CB GLU A 77 12.312 -6.864 -1.697 1.00 0.00 C ATOM 1239 CG GLU A 77 11.057 -7.107 -2.524 1.00 0.00 C ATOM 1240 CD GLU A 77 11.273 -6.862 -4.002 1.00 0.00 C ATOM 1241 OE1 GLU A 77 12.011 -7.653 -4.636 1.00 0.00 O ATOM 1242 OE2 GLU A 77 10.688 -5.907 -4.542 1.00 0.00 O ATOM 0 H GLU A 77 13.373 -5.623 0.776 1.00 0.00 H new ATOM 0 HA GLU A 77 12.540 -4.736 -1.885 1.00 0.00 H new ATOM 0 HB2 GLU A 77 13.183 -7.041 -2.328 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.346 -7.600 -0.893 1.00 0.00 H new ATOM 0 HG2 GLU A 77 10.722 -8.134 -2.375 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.259 -6.457 -2.165 1.00 0.00 H new ATOM 1249 N TYR A 78 10.265 -4.387 -0.871 1.00 0.00 N ATOM 1250 CA TYR A 78 9.043 -4.005 -0.186 1.00 0.00 C ATOM 1251 C TYR A 78 7.835 -4.348 -1.038 1.00 0.00 C ATOM 1252 O TYR A 78 7.885 -4.278 -2.266 1.00 0.00 O ATOM 1253 CB TYR A 78 9.030 -2.507 0.165 1.00 0.00 C ATOM 1254 CG TYR A 78 10.352 -1.977 0.677 1.00 0.00 C ATOM 1255 CD1 TYR A 78 10.569 -1.819 2.035 1.00 0.00 C ATOM 1256 CD2 TYR A 78 11.381 -1.636 -0.195 1.00 0.00 C ATOM 1257 CE1 TYR A 78 11.770 -1.336 2.515 1.00 0.00 C ATOM 1258 CE2 TYR A 78 12.586 -1.154 0.276 1.00 0.00 C ATOM 1259 CZ TYR A 78 12.776 -1.008 1.634 1.00 0.00 C ATOM 1260 OH TYR A 78 13.972 -0.528 2.110 1.00 0.00 O ATOM 0 H TYR A 78 10.343 -4.033 -1.824 1.00 0.00 H new ATOM 0 HA TYR A 78 9.000 -4.567 0.747 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.743 -1.940 -0.721 1.00 0.00 H new ATOM 0 HB3 TYR A 78 8.264 -2.329 0.919 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.785 -2.078 2.731 1.00 0.00 H new ATOM 0 HD2 TYR A 78 11.235 -1.750 -1.259 1.00 0.00 H new ATOM 0 HE1 TYR A 78 11.920 -1.216 3.578 1.00 0.00 H new ATOM 0 HE2 TYR A 78 13.374 -0.893 -0.414 1.00 0.00 H new ATOM 0 HH TYR A 78 13.931 0.449 2.171 1.00 0.00 H new ATOM 1270 N ALA A 79 6.758 -4.733 -0.383 1.00 0.00 N ATOM 1271 CA ALA A 79 5.550 -5.151 -1.088 1.00 0.00 C ATOM 1272 C ALA A 79 4.298 -4.632 -0.396 1.00 0.00 C ATOM 1273 O ALA A 79 4.364 -4.159 0.727 1.00 0.00 O ATOM 1274 CB ALA A 79 5.512 -6.664 -1.222 1.00 0.00 C ATOM 0 H ALA A 79 6.689 -4.767 0.634 1.00 0.00 H new ATOM 0 HA ALA A 79 5.574 -4.717 -2.088 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.605 -6.960 -1.750 1.00 0.00 H new ATOM 0 HB2 ALA A 79 6.384 -7.002 -1.782 1.00 0.00 H new ATOM 0 HB3 ALA A 79 5.519 -7.117 -0.231 1.00 0.00 H new ATOM 1280 N CYS A 80 3.178 -4.655 -1.095 1.00 0.00 N ATOM 1281 CA CYS A 80 1.897 -4.262 -0.522 1.00 0.00 C ATOM 1282 C CYS A 80 0.955 -5.463 -0.460 1.00 0.00 C ATOM 1283 O CYS A 80 0.807 -6.186 -1.446 1.00 0.00 O ATOM 1284 CB CYS A 80 1.260 -3.157 -1.364 1.00 0.00 C ATOM 1285 SG CYS A 80 1.686 -1.466 -0.842 1.00 0.00 S ATOM 0 H CYS A 80 3.127 -4.945 -2.072 1.00 0.00 H new ATOM 0 HA CYS A 80 2.070 -3.890 0.488 1.00 0.00 H new ATOM 0 HB2 CYS A 80 1.563 -3.290 -2.403 1.00 0.00 H new ATOM 0 HB3 CYS A 80 0.177 -3.272 -1.330 1.00 0.00 H new ATOM 1290 N ARG A 81 0.333 -5.672 0.691 1.00 0.00 N ATOM 1291 CA ARG A 81 -0.631 -6.755 0.870 1.00 0.00 C ATOM 1292 C ARG A 81 -2.000 -6.181 1.220 1.00 0.00 C ATOM 1293 O ARG A 81 -2.090 -5.272 2.033 1.00 0.00 O ATOM 1294 CB ARG A 81 -0.200 -7.670 2.015 1.00 0.00 C ATOM 1295 CG ARG A 81 -0.881 -9.031 2.017 1.00 0.00 C ATOM 1296 CD ARG A 81 -0.498 -9.838 3.259 1.00 0.00 C ATOM 1297 NE ARG A 81 0.740 -10.597 3.082 1.00 0.00 N ATOM 1298 CZ ARG A 81 1.643 -10.769 4.048 1.00 0.00 C ATOM 1299 NH1 ARG A 81 1.590 -10.035 5.152 1.00 0.00 N ATOM 1300 NH2 ARG A 81 2.636 -11.632 3.881 1.00 0.00 N ATOM 0 H ARG A 81 0.479 -5.102 1.524 1.00 0.00 H new ATOM 0 HA ARG A 81 -0.679 -7.319 -0.061 1.00 0.00 H new ATOM 0 HB2 ARG A 81 0.879 -7.816 1.962 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -0.408 -7.171 2.962 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -1.963 -8.900 1.984 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -0.600 -9.583 1.120 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -0.386 -9.161 4.106 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -1.308 -10.525 3.505 1.00 0.00 H new ATOM 0 HE ARG A 81 0.922 -11.017 2.171 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.856 -9.335 5.265 1.00 0.00 H new ATOM 0 HH12 ARG A 81 2.283 -10.170 5.888 1.00 0.00 H new ATOM 0 HH21 ARG A 81 2.709 -12.164 3.014 1.00 0.00 H new ATOM 0 HH22 ARG A 81 3.327 -11.764 4.620 1.00 0.00 H new ATOM 1314 N VAL A 82 -3.063 -6.700 0.619 1.00 0.00 N ATOM 1315 CA VAL A 82 -4.413 -6.308 1.028 1.00 0.00 C ATOM 1316 C VAL A 82 -5.302 -7.524 1.195 1.00 0.00 C ATOM 1317 O VAL A 82 -5.174 -8.518 0.473 1.00 0.00 O ATOM 1318 CB VAL A 82 -5.097 -5.311 0.066 1.00 0.00 C ATOM 1319 CG1 VAL A 82 -4.100 -4.321 -0.460 1.00 0.00 C ATOM 1320 CG2 VAL A 82 -5.822 -6.013 -1.068 1.00 0.00 C ATOM 0 H VAL A 82 -3.024 -7.381 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.284 -5.796 1.982 1.00 0.00 H new ATOM 0 HB VAL A 82 -5.854 -4.773 0.637 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -4.599 -3.626 -1.136 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -3.663 -3.768 0.371 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -3.313 -4.849 -0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -6.287 -5.271 -1.717 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -5.110 -6.604 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -6.590 -6.668 -0.658 1.00 0.00 H new ATOM 1330 N ASN A 83 -6.171 -7.445 2.174 1.00 0.00 N ATOM 1331 CA ASN A 83 -7.106 -8.516 2.461 1.00 0.00 C ATOM 1332 C ASN A 83 -8.545 -8.043 2.286 1.00 0.00 C ATOM 1333 O ASN A 83 -8.973 -7.104 2.958 1.00 0.00 O ATOM 1334 CB ASN A 83 -6.922 -9.008 3.909 1.00 0.00 C ATOM 1335 CG ASN A 83 -5.489 -9.396 4.257 1.00 0.00 C ATOM 1336 OD1 ASN A 83 -5.141 -10.573 4.298 1.00 0.00 O ATOM 1337 ND2 ASN A 83 -4.639 -8.405 4.499 1.00 0.00 N ATOM 0 H ASN A 83 -6.253 -6.640 2.795 1.00 0.00 H new ATOM 0 HA ASN A 83 -6.906 -9.328 1.762 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -7.251 -8.225 4.592 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -7.570 -9.868 4.074 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.666 -8.611 4.727 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -4.959 -7.437 4.457 1.00 0.00 H new ATOM 1344 N HIS A 84 -9.293 -8.674 1.382 1.00 0.00 N ATOM 1345 CA HIS A 84 -10.710 -8.412 1.260 1.00 0.00 C ATOM 1346 C HIS A 84 -11.400 -9.711 0.876 1.00 0.00 C ATOM 1347 O HIS A 84 -10.740 -10.650 0.426 1.00 0.00 O ATOM 1348 CB HIS A 84 -10.966 -7.337 0.204 1.00 0.00 C ATOM 1349 CG HIS A 84 -12.271 -6.624 0.375 1.00 0.00 C ATOM 1350 ND1 HIS A 84 -13.337 -6.889 -0.447 1.00 0.00 N ATOM 1351 CD2 HIS A 84 -12.624 -5.663 1.268 1.00 0.00 C ATOM 1352 CE1 HIS A 84 -14.311 -6.091 -0.041 1.00 0.00 C ATOM 1353 NE2 HIS A 84 -13.926 -5.330 0.992 1.00 0.00 N ATOM 0 H HIS A 84 -8.933 -9.369 0.727 1.00 0.00 H new ATOM 0 HA HIS A 84 -11.105 -8.045 2.207 1.00 0.00 H new ATOM 0 HB2 HIS A 84 -10.157 -6.608 0.237 1.00 0.00 H new ATOM 0 HB3 HIS A 84 -10.940 -7.797 -0.784 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -12.001 -5.243 2.044 1.00 0.00 H new ATOM 0 HE1 HIS A 84 -15.294 -6.057 -0.487 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -14.492 -4.636 1.480 1.00 0.00 H new ATOM 1361 N VAL A 85 -12.710 -9.777 1.050 1.00 0.00 N ATOM 1362 CA VAL A 85 -13.445 -10.996 0.744 1.00 0.00 C ATOM 1363 C VAL A 85 -13.457 -11.263 -0.759 1.00 0.00 C ATOM 1364 O VAL A 85 -13.592 -12.404 -1.200 1.00 0.00 O ATOM 1365 CB VAL A 85 -14.898 -10.940 1.269 1.00 0.00 C ATOM 1366 CG1 VAL A 85 -14.918 -10.740 2.775 1.00 0.00 C ATOM 1367 CG2 VAL A 85 -15.693 -9.846 0.572 1.00 0.00 C ATOM 0 H VAL A 85 -13.283 -9.009 1.398 1.00 0.00 H new ATOM 0 HA VAL A 85 -12.928 -11.811 1.251 1.00 0.00 H new ATOM 0 HB VAL A 85 -15.372 -11.895 1.042 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -15.950 -10.703 3.124 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -14.401 -11.568 3.259 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -14.417 -9.804 3.024 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -16.711 -9.831 0.962 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -15.220 -8.881 0.754 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -15.718 -10.041 -0.500 1.00 0.00 H new ATOM 1377 N THR A 86 -13.292 -10.204 -1.541 1.00 0.00 N ATOM 1378 CA THR A 86 -13.395 -10.284 -2.985 1.00 0.00 C ATOM 1379 C THR A 86 -12.251 -11.069 -3.590 1.00 0.00 C ATOM 1380 O THR A 86 -12.458 -11.965 -4.410 1.00 0.00 O ATOM 1381 CB THR A 86 -13.376 -8.879 -3.583 1.00 0.00 C ATOM 1382 OG1 THR A 86 -12.323 -8.125 -2.977 1.00 0.00 O ATOM 1383 CG2 THR A 86 -14.694 -8.164 -3.370 1.00 0.00 C ATOM 0 H THR A 86 -13.084 -9.269 -1.189 1.00 0.00 H new ATOM 0 HA THR A 86 -14.331 -10.793 -3.213 1.00 0.00 H new ATOM 0 HB THR A 86 -13.212 -8.968 -4.657 1.00 0.00 H new ATOM 0 HG1 THR A 86 -12.670 -7.652 -2.192 1.00 0.00 H new ATOM 0 HG21 THR A 86 -14.642 -7.168 -3.809 1.00 0.00 H new ATOM 0 HG22 THR A 86 -15.496 -8.729 -3.846 1.00 0.00 H new ATOM 0 HG23 THR A 86 -14.894 -8.080 -2.302 1.00 0.00 H new ATOM 1391 N LEU A 87 -11.045 -10.718 -3.172 1.00 0.00 N ATOM 1392 CA LEU A 87 -9.852 -11.306 -3.740 1.00 0.00 C ATOM 1393 C LEU A 87 -9.807 -12.793 -3.436 1.00 0.00 C ATOM 1394 O LEU A 87 -9.200 -13.564 -4.175 1.00 0.00 O ATOM 1395 CB LEU A 87 -8.593 -10.614 -3.203 1.00 0.00 C ATOM 1396 CG LEU A 87 -8.428 -9.148 -3.615 1.00 0.00 C ATOM 1397 CD1 LEU A 87 -7.101 -8.593 -3.114 1.00 0.00 C ATOM 1398 CD2 LEU A 87 -8.530 -9.006 -5.125 1.00 0.00 C ATOM 0 H LEU A 87 -10.871 -10.028 -2.441 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.881 -11.167 -4.821 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.604 -10.670 -2.114 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -7.719 -11.171 -3.542 1.00 0.00 H new ATOM 0 HG LEU A 87 -9.232 -8.571 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.005 -7.551 -3.418 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.066 -8.659 -2.027 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.281 -9.172 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.411 -7.958 -5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.747 -9.598 -5.600 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -9.505 -9.360 -5.459 1.00 0.00 H new ATOM 1410 N SER A 88 -10.462 -13.168 -2.328 1.00 0.00 N ATOM 1411 CA SER A 88 -10.539 -14.549 -1.822 1.00 0.00 C ATOM 1412 C SER A 88 -9.160 -15.066 -1.392 1.00 0.00 C ATOM 1413 O SER A 88 -9.051 -16.056 -0.662 1.00 0.00 O ATOM 1414 CB SER A 88 -11.205 -15.496 -2.839 1.00 0.00 C ATOM 1415 OG SER A 88 -10.341 -15.828 -3.912 1.00 0.00 O ATOM 0 H SER A 88 -10.967 -12.503 -1.742 1.00 0.00 H new ATOM 0 HA SER A 88 -11.174 -14.532 -0.936 1.00 0.00 H new ATOM 0 HB2 SER A 88 -11.517 -16.409 -2.331 1.00 0.00 H new ATOM 0 HB3 SER A 88 -12.106 -15.026 -3.233 1.00 0.00 H new ATOM 0 HG SER A 88 -9.612 -15.174 -3.960 1.00 0.00 H new ATOM 1421 N GLN A 89 -8.120 -14.372 -1.832 1.00 0.00 N ATOM 1422 CA GLN A 89 -6.753 -14.637 -1.443 1.00 0.00 C ATOM 1423 C GLN A 89 -6.073 -13.283 -1.343 1.00 0.00 C ATOM 1424 O GLN A 89 -6.014 -12.569 -2.346 1.00 0.00 O ATOM 1425 CB GLN A 89 -6.019 -15.468 -2.501 1.00 0.00 C ATOM 1426 CG GLN A 89 -6.858 -16.553 -3.152 1.00 0.00 C ATOM 1427 CD GLN A 89 -6.198 -17.126 -4.389 1.00 0.00 C ATOM 1428 OE1 GLN A 89 -4.970 -17.170 -4.490 1.00 0.00 O ATOM 1429 NE2 GLN A 89 -7.003 -17.567 -5.340 1.00 0.00 N ATOM 0 H GLN A 89 -8.211 -13.593 -2.484 1.00 0.00 H new ATOM 0 HA GLN A 89 -6.733 -15.195 -0.507 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -5.650 -14.798 -3.278 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -5.147 -15.931 -2.039 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -7.034 -17.353 -2.433 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -7.833 -16.144 -3.419 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -8.014 -17.513 -5.218 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -6.613 -17.962 -6.196 1.00 0.00 H new ATOM 1438 N PRO A 90 -5.610 -12.871 -0.153 1.00 0.00 N ATOM 1439 CA PRO A 90 -4.948 -11.572 0.015 1.00 0.00 C ATOM 1440 C PRO A 90 -3.895 -11.316 -1.044 1.00 0.00 C ATOM 1441 O PRO A 90 -3.137 -12.211 -1.426 1.00 0.00 O ATOM 1442 CB PRO A 90 -4.321 -11.675 1.389 1.00 0.00 C ATOM 1443 CG PRO A 90 -5.269 -12.546 2.127 1.00 0.00 C ATOM 1444 CD PRO A 90 -5.700 -13.602 1.128 1.00 0.00 C ATOM 0 HA PRO A 90 -5.646 -10.741 -0.085 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -3.323 -12.111 1.345 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -4.221 -10.697 1.861 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -4.793 -12.998 2.997 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -6.124 -11.977 2.492 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -5.045 -14.473 1.147 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -6.711 -13.959 1.323 1.00 0.00 H new ATOM 1452 N LYS A 91 -3.842 -10.083 -1.494 1.00 0.00 N ATOM 1453 CA LYS A 91 -3.071 -9.748 -2.663 1.00 0.00 C ATOM 1454 C LYS A 91 -1.765 -9.095 -2.279 1.00 0.00 C ATOM 1455 O LYS A 91 -1.744 -8.147 -1.499 1.00 0.00 O ATOM 1456 CB LYS A 91 -3.856 -8.812 -3.570 1.00 0.00 C ATOM 1457 CG LYS A 91 -3.180 -8.605 -4.904 1.00 0.00 C ATOM 1458 CD LYS A 91 -3.130 -9.906 -5.680 1.00 0.00 C ATOM 1459 CE LYS A 91 -4.504 -10.340 -6.164 1.00 0.00 C ATOM 1460 NZ LYS A 91 -5.081 -9.399 -7.160 1.00 0.00 N ATOM 0 H LYS A 91 -4.327 -9.295 -1.064 1.00 0.00 H new ATOM 0 HA LYS A 91 -2.859 -10.674 -3.197 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.855 -9.218 -3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.980 -7.849 -3.075 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -3.719 -7.852 -5.479 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -2.169 -8.226 -4.752 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -2.465 -9.791 -6.536 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.706 -10.687 -5.049 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -4.432 -11.333 -6.607 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -5.178 -10.419 -5.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -5.893 -9.847 -7.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -5.396 -8.533 -6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -4.359 -9.158 -7.869 1.00 0.00 H new ATOM 1474 N ILE A 92 -0.688 -9.615 -2.825 1.00 0.00 N ATOM 1475 CA ILE A 92 0.618 -9.015 -2.658 1.00 0.00 C ATOM 1476 C ILE A 92 1.092 -8.445 -3.981 1.00 0.00 C ATOM 1477 O ILE A 92 1.096 -9.133 -5.002 1.00 0.00 O ATOM 1478 CB ILE A 92 1.687 -10.012 -2.150 1.00 0.00 C ATOM 1479 CG1 ILE A 92 1.359 -10.527 -0.739 1.00 0.00 C ATOM 1480 CG2 ILE A 92 3.067 -9.366 -2.167 1.00 0.00 C ATOM 1481 CD1 ILE A 92 0.300 -11.609 -0.694 1.00 0.00 C ATOM 0 H ILE A 92 -0.692 -10.461 -3.394 1.00 0.00 H new ATOM 0 HA ILE A 92 0.503 -8.235 -1.905 1.00 0.00 H new ATOM 0 HB ILE A 92 1.685 -10.868 -2.825 1.00 0.00 H new ATOM 0 HG12 ILE A 92 2.272 -10.912 -0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.028 -9.687 -0.128 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.808 -10.080 -1.807 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.316 -9.067 -3.185 1.00 0.00 H new ATOM 0 HG23 ILE A 92 3.066 -8.488 -1.521 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.133 -11.912 0.340 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -0.630 -11.226 -1.115 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.634 -12.469 -1.275 1.00 0.00 H new ATOM 1493 N VAL A 93 1.467 -7.191 -3.957 1.00 0.00 N ATOM 1494 CA VAL A 93 2.067 -6.552 -5.104 1.00 0.00 C ATOM 1495 C VAL A 93 3.371 -5.909 -4.678 1.00 0.00 C ATOM 1496 O VAL A 93 3.414 -5.145 -3.716 1.00 0.00 O ATOM 1497 CB VAL A 93 1.135 -5.499 -5.740 1.00 0.00 C ATOM 1498 CG1 VAL A 93 1.832 -4.764 -6.876 1.00 0.00 C ATOM 1499 CG2 VAL A 93 -0.138 -6.162 -6.243 1.00 0.00 C ATOM 0 H VAL A 93 1.366 -6.584 -3.144 1.00 0.00 H new ATOM 0 HA VAL A 93 2.249 -7.312 -5.864 1.00 0.00 H new ATOM 0 HB VAL A 93 0.876 -4.768 -4.974 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.152 -4.029 -7.305 1.00 0.00 H new ATOM 0 HG12 VAL A 93 2.718 -4.258 -6.493 1.00 0.00 H new ATOM 0 HG13 VAL A 93 2.126 -5.478 -7.645 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -0.788 -5.410 -6.690 1.00 0.00 H new ATOM 0 HG22 VAL A 93 0.114 -6.914 -6.991 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.654 -6.638 -5.409 1.00 0.00 H new ATOM 1509 N LYS A 94 4.427 -6.242 -5.385 1.00 0.00 N ATOM 1510 CA LYS A 94 5.739 -5.738 -5.047 1.00 0.00 C ATOM 1511 C LYS A 94 5.903 -4.322 -5.568 1.00 0.00 C ATOM 1512 O LYS A 94 5.432 -3.993 -6.659 1.00 0.00 O ATOM 1513 CB LYS A 94 6.829 -6.632 -5.606 1.00 0.00 C ATOM 1514 CG LYS A 94 6.967 -7.965 -4.896 1.00 0.00 C ATOM 1515 CD LYS A 94 8.182 -8.706 -5.412 1.00 0.00 C ATOM 1516 CE LYS A 94 8.525 -9.918 -4.564 1.00 0.00 C ATOM 1517 NZ LYS A 94 7.404 -10.892 -4.487 1.00 0.00 N ATOM 0 H LYS A 94 4.403 -6.859 -6.197 1.00 0.00 H new ATOM 0 HA LYS A 94 5.832 -5.732 -3.961 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.627 -6.815 -6.661 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.781 -6.103 -5.550 1.00 0.00 H new ATOM 0 HG2 LYS A 94 7.058 -7.806 -3.822 1.00 0.00 H new ATOM 0 HG3 LYS A 94 6.071 -8.565 -5.055 1.00 0.00 H new ATOM 0 HD2 LYS A 94 8.001 -9.024 -6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 94 9.035 -8.028 -5.434 1.00 0.00 H new ATOM 0 HE2 LYS A 94 9.404 -10.412 -4.979 1.00 0.00 H new ATOM 0 HE3 LYS A 94 8.789 -9.591 -3.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.715 -11.739 -3.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.600 -10.458 -3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 7.112 -11.162 -5.448 1.00 0.00 H new ATOM 1531 N TRP A 95 6.559 -3.499 -4.770 1.00 0.00 N ATOM 1532 CA TRP A 95 6.752 -2.097 -5.094 1.00 0.00 C ATOM 1533 C TRP A 95 7.594 -1.947 -6.353 1.00 0.00 C ATOM 1534 O TRP A 95 8.792 -2.237 -6.361 1.00 0.00 O ATOM 1535 CB TRP A 95 7.402 -1.357 -3.915 1.00 0.00 C ATOM 1536 CG TRP A 95 7.790 0.045 -4.243 1.00 0.00 C ATOM 1537 CD1 TRP A 95 6.957 1.068 -4.581 1.00 0.00 C ATOM 1538 CD2 TRP A 95 9.116 0.578 -4.256 1.00 0.00 C ATOM 1539 NE1 TRP A 95 7.687 2.203 -4.821 1.00 0.00 N ATOM 1540 CE2 TRP A 95 9.014 1.930 -4.625 1.00 0.00 C ATOM 1541 CE3 TRP A 95 10.381 0.041 -3.997 1.00 0.00 C ATOM 1542 CZ2 TRP A 95 10.125 2.754 -4.738 1.00 0.00 C ATOM 1543 CZ3 TRP A 95 11.486 0.860 -4.109 1.00 0.00 C ATOM 1544 CH2 TRP A 95 11.351 2.208 -4.479 1.00 0.00 C ATOM 0 H TRP A 95 6.972 -3.782 -3.881 1.00 0.00 H new ATOM 0 HA TRP A 95 5.776 -1.651 -5.283 1.00 0.00 H new ATOM 0 HB2 TRP A 95 6.709 -1.348 -3.074 1.00 0.00 H new ATOM 0 HB3 TRP A 95 8.287 -1.906 -3.593 1.00 0.00 H new ATOM 0 HD1 TRP A 95 5.882 0.996 -4.650 1.00 0.00 H new ATOM 0 HE1 TRP A 95 7.303 3.106 -5.101 1.00 0.00 H new ATOM 0 HE3 TRP A 95 10.491 -0.996 -3.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 95 10.024 3.791 -5.021 1.00 0.00 H new ATOM 0 HZ3 TRP A 95 12.469 0.459 -3.909 1.00 0.00 H new ATOM 0 HH2 TRP A 95 12.233 2.825 -4.561 1.00 0.00 H new