USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 862 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 39 ASN : amide:sc= 0.385 K(o=0.19,f=-4.5!) USER MOD Set 1.2: A 42 GLN : amide:sc= -0.191 K(o=0.19,f=0.72) USER MOD Single : A 4 ASN : amide:sc= -1.83! C(o=-1.8!,f=-2!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot -30:sc= 0.869 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN : amide:sc= -4.24! C(o=-4.2!,f=-0.44!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= -2.31! USER MOD Single : A 33 THR OG1 : rot 10:sc= 0.9 USER MOD Single : A 34 SER OG : rot 180:sc= 0.272 USER MOD Single : A 37 CYS SG : rot 10:sc= 0.464 USER MOD Single : A 44 GLN : amide:sc= -1.74! K(o=-1.7!,f=0.099) USER MOD Single : A 47 MET CE :methyl -156:sc= 0 (180deg=-0.443) USER MOD Single : A 53 GLN : amide:sc= -1.29! K(o=-1.3!,f=-0.028) USER MOD Single : A 54 TYR OH : rot -14:sc= -0.0495 USER MOD Single : A 60 ASN : amide:sc= 0.492 K(o=0.49,f=-2!) USER MOD Single : A 61 HIS : no HE2:sc= 1.25 K(o=1.3,f=-5!) USER MOD Single : A 69 LYS NZ :NH3+ -156:sc= 2.23 (180deg=0.508) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -5.92! C(o=-5.9!,f=-9.6!) USER MOD Single : A 81 HIS : no HE2:sc= -0.455 K(o=-0.46,f=-1.9!) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 86 GLN : amide:sc= -0.692 X(o=-0.69,f=-0.46) USER MOD Single : A 88 TYR OH : rot 155:sc= 0.771 USER MOD Single : A 91 THR OG1 : rot 71:sc= 0.38 USER MOD Single : A 99 HIS : no HD1:sc= -1.7! K(o=-1.7!,f=-0.9) USER MOD Single : A 104 LYS NZ :NH3+ -170:sc= -0.0537 (180deg=-0.167) USER MOD Single : A 118 GLN : amide:sc= -0.633 K(o=-0.63,f=0) USER MOD Single : A 119 HIS : no HE2:sc= 0.924 K(o=0.92,f=-3!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ASN A 4 -8.177 9.413 -7.343 1.00 0.00 N ATOM 43 CA ASN A 4 -9.145 9.930 -6.402 1.00 0.00 C ATOM 44 C ASN A 4 -8.944 9.149 -5.143 1.00 0.00 C ATOM 45 O ASN A 4 -9.877 8.743 -4.459 1.00 0.00 O ATOM 46 CB ASN A 4 -10.599 9.813 -6.931 1.00 0.00 C ATOM 47 CG ASN A 4 -11.575 10.649 -6.086 1.00 0.00 C ATOM 48 OD1 ASN A 4 -11.177 11.639 -5.457 1.00 0.00 O ATOM 49 ND2 ASN A 4 -12.845 10.326 -6.121 1.00 0.00 N ATOM 0 HA ASN A 4 -8.996 10.997 -6.235 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.638 10.145 -7.968 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.909 8.768 -6.919 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -13.530 10.895 -5.623 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -13.148 9.506 -6.646 1.00 0.00 H new ATOM 56 N LYS A 5 -7.664 8.917 -4.896 1.00 0.00 N ATOM 57 CA LYS A 5 -7.136 8.233 -3.752 1.00 0.00 C ATOM 58 C LYS A 5 -7.816 8.686 -2.457 1.00 0.00 C ATOM 59 O LYS A 5 -7.732 9.845 -2.069 1.00 0.00 O ATOM 60 CB LYS A 5 -5.635 8.521 -3.684 1.00 0.00 C ATOM 61 CG LYS A 5 -4.978 7.949 -2.465 1.00 0.00 C ATOM 62 CD LYS A 5 -3.474 8.205 -2.410 1.00 0.00 C ATOM 63 CE LYS A 5 -3.126 9.684 -2.456 1.00 0.00 C ATOM 64 NZ LYS A 5 -1.670 9.903 -2.376 1.00 0.00 N ATOM 0 H LYS A 5 -6.931 9.225 -5.535 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.324 7.164 -3.855 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.153 8.114 -4.573 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.478 9.599 -3.701 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.444 8.375 -1.577 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -5.157 6.874 -2.435 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.069 7.769 -1.497 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.993 7.697 -3.246 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -3.510 10.120 -3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -3.618 10.200 -1.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.470 10.923 -2.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.308 9.509 -1.484 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.204 9.432 -3.177 1.00 0.00 H new ATOM 78 N VAL A 6 -8.529 7.782 -1.842 1.00 0.00 N ATOM 79 CA VAL A 6 -9.200 8.056 -0.592 1.00 0.00 C ATOM 80 C VAL A 6 -8.687 7.184 0.537 1.00 0.00 C ATOM 81 O VAL A 6 -8.406 6.008 0.332 1.00 0.00 O ATOM 82 CB VAL A 6 -10.725 7.868 -0.695 1.00 0.00 C ATOM 83 CG1 VAL A 6 -11.370 8.992 -1.494 1.00 0.00 C ATOM 84 CG2 VAL A 6 -11.084 6.512 -1.308 1.00 0.00 C ATOM 0 H VAL A 6 -8.664 6.833 -2.190 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.979 9.100 -0.372 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.118 7.898 0.321 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -12.446 8.829 -1.548 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.171 9.946 -1.006 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.955 9.007 -2.502 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.168 6.414 -1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -10.660 6.442 -2.310 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -10.680 5.713 -0.686 1.00 0.00 H new ATOM 94 N CYS A 7 -8.562 7.772 1.704 1.00 0.00 N ATOM 95 CA CYS A 7 -8.202 7.064 2.921 1.00 0.00 C ATOM 96 C CYS A 7 -9.491 6.627 3.611 1.00 0.00 C ATOM 97 O CYS A 7 -10.544 7.129 3.214 1.00 0.00 O ATOM 98 CB CYS A 7 -7.350 7.952 3.824 1.00 0.00 C ATOM 99 SG CYS A 7 -5.799 8.462 3.051 1.00 0.00 S ATOM 0 H CYS A 7 -8.709 8.772 1.842 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.602 6.184 2.689 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.922 8.839 4.097 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.131 7.417 4.748 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.404 7.541 2.223 1.00 0.00 H new ATOM 105 N GLY A 8 -9.378 5.728 4.658 1.00 0.00 N ATOM 106 CA GLY A 8 -10.506 5.031 5.323 1.00 0.00 C ATOM 107 C GLY A 8 -11.864 5.444 4.902 1.00 0.00 C ATOM 108 O GLY A 8 -12.359 6.506 5.281 1.00 0.00 O ATOM 0 H GLY A 8 -8.474 5.476 5.057 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.402 3.961 5.144 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.418 5.185 6.399 1.00 0.00 H new ATOM 112 N LEU A 9 -12.469 4.600 4.155 1.00 0.00 N ATOM 113 CA LEU A 9 -13.710 4.877 3.571 1.00 0.00 C ATOM 114 C LEU A 9 -14.559 3.627 3.781 1.00 0.00 C ATOM 115 O LEU A 9 -14.091 2.517 3.537 1.00 0.00 O ATOM 116 CB LEU A 9 -13.446 5.163 2.074 1.00 0.00 C ATOM 117 CG LEU A 9 -14.461 6.009 1.298 1.00 0.00 C ATOM 118 CD1 LEU A 9 -15.815 5.381 1.315 1.00 0.00 C ATOM 119 CD2 LEU A 9 -14.514 7.431 1.845 1.00 0.00 C ATOM 0 H LEU A 9 -12.100 3.676 3.931 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.227 5.737 3.997 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.477 5.656 1.997 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.357 4.204 1.565 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.130 6.056 0.260 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.513 6.005 0.756 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -15.764 4.394 0.856 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.159 5.285 2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.241 8.012 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.808 7.406 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.531 7.893 1.754 1.00 0.00 H new ATOM 131 N THR A 10 -15.750 3.799 4.272 1.00 0.00 N ATOM 132 CA THR A 10 -16.619 2.694 4.537 1.00 0.00 C ATOM 133 C THR A 10 -17.974 2.903 3.844 1.00 0.00 C ATOM 134 O THR A 10 -18.708 1.938 3.599 1.00 0.00 O ATOM 135 CB THR A 10 -16.780 2.462 6.091 1.00 0.00 C ATOM 136 OG1 THR A 10 -17.671 1.370 6.378 1.00 0.00 O ATOM 137 CG2 THR A 10 -17.272 3.716 6.803 1.00 0.00 C ATOM 0 H THR A 10 -16.146 4.711 4.500 1.00 0.00 H new ATOM 0 HA THR A 10 -16.172 1.790 4.124 1.00 0.00 H new ATOM 0 HB THR A 10 -15.787 2.213 6.466 1.00 0.00 H new ATOM 0 HG1 THR A 10 -17.745 1.255 7.348 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.369 3.514 7.870 1.00 0.00 H new ATOM 0 HG22 THR A 10 -16.558 4.525 6.651 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.241 4.007 6.399 1.00 0.00 H new ATOM 145 N ARG A 11 -18.285 4.153 3.471 1.00 0.00 N ATOM 146 CA ARG A 11 -19.552 4.423 2.823 1.00 0.00 C ATOM 147 C ARG A 11 -19.506 4.094 1.343 1.00 0.00 C ATOM 148 O ARG A 11 -18.764 4.704 0.594 1.00 0.00 O ATOM 149 CB ARG A 11 -20.061 5.855 3.054 1.00 0.00 C ATOM 150 CG ARG A 11 -20.230 6.232 4.522 1.00 0.00 C ATOM 151 CD ARG A 11 -21.037 7.523 4.704 1.00 0.00 C ATOM 152 NE ARG A 11 -20.495 8.648 3.937 1.00 0.00 N ATOM 153 CZ ARG A 11 -20.340 9.898 4.385 1.00 0.00 C ATOM 154 NH1 ARG A 11 -20.729 10.240 5.615 1.00 0.00 N ATOM 155 NH2 ARG A 11 -19.809 10.810 3.587 1.00 0.00 N ATOM 0 H ARG A 11 -17.685 4.967 3.607 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.274 3.759 3.298 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.366 6.554 2.589 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -21.019 5.974 2.548 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -20.728 5.418 5.048 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.248 6.353 4.979 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -22.069 7.346 4.400 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -21.057 7.787 5.761 1.00 0.00 H new ATOM 0 HE ARG A 11 -20.211 8.461 2.976 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -21.152 9.543 6.228 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -20.604 11.198 5.942 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -19.523 10.556 2.641 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -19.686 11.767 3.917 1.00 0.00 H new ATOM 169 N GLY A 12 -20.326 3.135 0.951 1.00 0.00 N ATOM 170 CA GLY A 12 -20.423 2.648 -0.425 1.00 0.00 C ATOM 171 C GLY A 12 -20.463 3.741 -1.479 1.00 0.00 C ATOM 172 O GLY A 12 -19.595 3.820 -2.337 1.00 0.00 O ATOM 0 H GLY A 12 -20.961 2.658 1.592 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -19.573 1.997 -0.627 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -21.321 2.038 -0.518 1.00 0.00 H new ATOM 176 N GLN A 13 -21.452 4.589 -1.377 1.00 0.00 N ATOM 177 CA GLN A 13 -21.640 5.729 -2.262 1.00 0.00 C ATOM 178 C GLN A 13 -20.445 6.685 -2.308 1.00 0.00 C ATOM 179 O GLN A 13 -20.204 7.331 -3.324 1.00 0.00 O ATOM 180 CB GLN A 13 -22.957 6.473 -1.987 1.00 0.00 C ATOM 181 CG GLN A 13 -23.221 6.808 -0.540 1.00 0.00 C ATOM 182 CD GLN A 13 -23.775 5.633 0.275 1.00 0.00 C ATOM 183 OE1 GLN A 13 -24.980 5.418 0.335 1.00 0.00 O ATOM 184 NE2 GLN A 13 -22.914 4.897 0.930 1.00 0.00 N ATOM 0 H GLN A 13 -22.173 4.512 -0.660 1.00 0.00 H new ATOM 0 HA GLN A 13 -21.710 5.300 -3.261 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -22.959 7.399 -2.563 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -23.782 5.865 -2.358 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -22.294 7.152 -0.081 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -23.927 7.637 -0.491 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -21.916 5.098 0.863 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -23.241 4.123 1.508 1.00 0.00 H new ATOM 193 N ASP A 14 -19.666 6.712 -1.248 1.00 0.00 N ATOM 194 CA ASP A 14 -18.483 7.581 -1.197 1.00 0.00 C ATOM 195 C ASP A 14 -17.332 6.872 -1.869 1.00 0.00 C ATOM 196 O ASP A 14 -16.498 7.483 -2.537 1.00 0.00 O ATOM 197 CB ASP A 14 -18.079 7.927 0.252 1.00 0.00 C ATOM 198 CG ASP A 14 -19.007 8.870 0.966 1.00 0.00 C ATOM 199 OD1 ASP A 14 -20.143 8.488 1.276 1.00 0.00 O ATOM 200 OD2 ASP A 14 -18.603 10.015 1.262 1.00 0.00 O ATOM 0 H ASP A 14 -19.818 6.151 -0.410 1.00 0.00 H new ATOM 0 HA ASP A 14 -18.726 8.513 -1.708 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -18.015 7.002 0.825 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -17.081 8.365 0.240 1.00 0.00 H new ATOM 205 N ALA A 15 -17.313 5.570 -1.701 1.00 0.00 N ATOM 206 CA ALA A 15 -16.292 4.703 -2.252 1.00 0.00 C ATOM 207 C ALA A 15 -16.384 4.676 -3.761 1.00 0.00 C ATOM 208 O ALA A 15 -15.370 4.763 -4.463 1.00 0.00 O ATOM 209 CB ALA A 15 -16.462 3.295 -1.691 1.00 0.00 C ATOM 0 H ALA A 15 -18.023 5.071 -1.165 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.311 5.086 -1.973 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -15.693 2.643 -2.106 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.368 3.322 -0.605 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -17.447 2.912 -1.960 1.00 0.00 H new ATOM 215 N LYS A 16 -17.613 4.602 -4.258 1.00 0.00 N ATOM 216 CA LYS A 16 -17.869 4.536 -5.692 1.00 0.00 C ATOM 217 C LYS A 16 -17.304 5.744 -6.414 1.00 0.00 C ATOM 218 O LYS A 16 -16.867 5.639 -7.541 1.00 0.00 O ATOM 219 CB LYS A 16 -19.361 4.390 -5.992 1.00 0.00 C ATOM 220 CG LYS A 16 -20.000 3.187 -5.320 1.00 0.00 C ATOM 221 CD LYS A 16 -21.374 2.867 -5.894 1.00 0.00 C ATOM 222 CE LYS A 16 -22.397 3.961 -5.640 1.00 0.00 C ATOM 223 NZ LYS A 16 -23.696 3.643 -6.267 1.00 0.00 N ATOM 0 H LYS A 16 -18.455 4.586 -3.683 1.00 0.00 H new ATOM 0 HA LYS A 16 -17.359 3.647 -6.063 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -19.878 5.294 -5.669 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.501 4.310 -7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -19.349 2.320 -5.436 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -20.091 3.376 -4.250 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -21.283 2.705 -6.968 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -21.734 1.934 -5.460 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.532 4.092 -4.566 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -22.024 4.907 -6.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -24.371 4.410 -6.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -23.570 3.542 -7.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -24.062 2.752 -5.874 1.00 0.00 H new ATOM 237 N ALA A 17 -17.262 6.870 -5.724 1.00 0.00 N ATOM 238 CA ALA A 17 -16.738 8.108 -6.274 1.00 0.00 C ATOM 239 C ALA A 17 -15.227 8.008 -6.559 1.00 0.00 C ATOM 240 O ALA A 17 -14.715 8.642 -7.479 1.00 0.00 O ATOM 241 CB ALA A 17 -17.028 9.255 -5.325 1.00 0.00 C ATOM 0 H ALA A 17 -17.592 6.952 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.236 8.295 -7.226 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -16.633 10.181 -5.742 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.105 9.350 -5.187 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.555 9.060 -4.363 1.00 0.00 H new ATOM 247 N ALA A 18 -14.521 7.200 -5.778 1.00 0.00 N ATOM 248 CA ALA A 18 -13.088 7.028 -5.958 1.00 0.00 C ATOM 249 C ALA A 18 -12.824 6.115 -7.147 1.00 0.00 C ATOM 250 O ALA A 18 -11.880 6.303 -7.915 1.00 0.00 O ATOM 251 CB ALA A 18 -12.477 6.461 -4.698 1.00 0.00 C ATOM 0 H ALA A 18 -14.919 6.654 -5.014 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.628 7.996 -6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.404 6.334 -4.839 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.656 7.144 -3.868 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.930 5.495 -4.477 1.00 0.00 H new ATOM 257 N TYR A 19 -13.688 5.147 -7.295 1.00 0.00 N ATOM 258 CA TYR A 19 -13.631 4.192 -8.391 1.00 0.00 C ATOM 259 C TYR A 19 -14.095 4.825 -9.679 1.00 0.00 C ATOM 260 O TYR A 19 -13.598 4.501 -10.743 1.00 0.00 O ATOM 261 CB TYR A 19 -14.442 2.930 -8.032 1.00 0.00 C ATOM 262 CG TYR A 19 -15.287 2.324 -9.139 1.00 0.00 C ATOM 263 CD1 TYR A 19 -14.719 1.512 -10.104 1.00 0.00 C ATOM 264 CD2 TYR A 19 -16.655 2.568 -9.209 1.00 0.00 C ATOM 265 CE1 TYR A 19 -15.482 0.957 -11.113 1.00 0.00 C ATOM 266 CE2 TYR A 19 -17.426 2.019 -10.212 1.00 0.00 C ATOM 267 CZ TYR A 19 -16.834 1.215 -11.161 1.00 0.00 C ATOM 268 OH TYR A 19 -17.600 0.662 -12.166 1.00 0.00 O ATOM 0 H TYR A 19 -14.465 4.990 -6.654 1.00 0.00 H new ATOM 0 HA TYR A 19 -12.597 3.886 -8.548 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -13.747 2.168 -7.679 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.099 3.174 -7.197 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -13.659 1.308 -10.068 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.121 3.198 -8.466 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -15.022 0.326 -11.859 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -18.487 2.218 -10.253 1.00 0.00 H new ATOM 0 HH TYR A 19 -18.533 0.940 -12.057 1.00 0.00 H new ATOM 278 N ASP A 20 -14.991 5.766 -9.559 1.00 0.00 N ATOM 279 CA ASP A 20 -15.576 6.488 -10.703 1.00 0.00 C ATOM 280 C ASP A 20 -14.513 7.269 -11.501 1.00 0.00 C ATOM 281 O ASP A 20 -14.740 7.704 -12.634 1.00 0.00 O ATOM 282 CB ASP A 20 -16.681 7.407 -10.205 1.00 0.00 C ATOM 283 CG ASP A 20 -17.483 8.036 -11.308 1.00 0.00 C ATOM 284 OD1 ASP A 20 -18.193 7.305 -12.043 1.00 0.00 O ATOM 285 OD2 ASP A 20 -17.460 9.278 -11.432 1.00 0.00 O ATOM 0 H ASP A 20 -15.355 6.073 -8.657 1.00 0.00 H new ATOM 0 HA ASP A 20 -15.999 5.758 -11.392 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -17.350 6.839 -9.559 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -16.239 8.194 -9.594 1.00 0.00 H new ATOM 290 N ALA A 21 -13.348 7.417 -10.903 1.00 0.00 N ATOM 291 CA ALA A 21 -12.201 8.039 -11.553 1.00 0.00 C ATOM 292 C ALA A 21 -11.586 7.096 -12.610 1.00 0.00 C ATOM 293 O ALA A 21 -10.749 7.510 -13.422 1.00 0.00 O ATOM 294 CB ALA A 21 -11.154 8.416 -10.519 1.00 0.00 C ATOM 0 H ALA A 21 -13.165 7.109 -9.948 1.00 0.00 H new ATOM 0 HA ALA A 21 -12.545 8.941 -12.059 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -10.302 8.880 -11.016 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -11.584 9.119 -9.805 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -10.824 7.521 -9.993 1.00 0.00 H new ATOM 300 N GLY A 22 -11.979 5.828 -12.574 1.00 0.00 N ATOM 301 CA GLY A 22 -11.505 4.875 -13.557 1.00 0.00 C ATOM 302 C GLY A 22 -10.936 3.622 -12.932 1.00 0.00 C ATOM 303 O GLY A 22 -10.066 2.979 -13.515 1.00 0.00 O ATOM 0 H GLY A 22 -12.619 5.443 -11.879 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.327 4.604 -14.219 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.741 5.347 -14.174 1.00 0.00 H new ATOM 307 N ALA A 23 -11.412 3.301 -11.713 1.00 0.00 N ATOM 308 CA ALA A 23 -11.001 2.105 -10.941 1.00 0.00 C ATOM 309 C ALA A 23 -9.495 2.053 -10.726 1.00 0.00 C ATOM 310 O ALA A 23 -8.922 0.974 -10.507 1.00 0.00 O ATOM 311 CB ALA A 23 -11.481 0.839 -11.629 1.00 0.00 C ATOM 0 H ALA A 23 -12.103 3.872 -11.227 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.468 2.176 -9.959 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -11.171 -0.030 -11.049 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -12.568 0.856 -11.704 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -11.049 0.782 -12.628 1.00 0.00 H new ATOM 317 N ILE A 24 -8.884 3.235 -10.709 1.00 0.00 N ATOM 318 CA ILE A 24 -7.445 3.383 -10.635 1.00 0.00 C ATOM 319 C ILE A 24 -6.876 2.717 -9.408 1.00 0.00 C ATOM 320 O ILE A 24 -6.204 1.701 -9.525 1.00 0.00 O ATOM 321 CB ILE A 24 -7.048 4.878 -10.627 1.00 0.00 C ATOM 322 CG1 ILE A 24 -7.671 5.599 -11.825 1.00 0.00 C ATOM 323 CG2 ILE A 24 -5.524 5.031 -10.649 1.00 0.00 C ATOM 324 CD1 ILE A 24 -7.377 7.070 -11.846 1.00 0.00 C ATOM 0 H ILE A 24 -9.385 4.122 -10.747 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.032 2.897 -11.519 1.00 0.00 H new ATOM 0 HB ILE A 24 -7.427 5.330 -9.710 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.301 5.148 -12.746 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.751 5.451 -11.809 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.264 6.090 -10.643 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -5.097 4.548 -9.770 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.124 4.565 -11.550 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.847 7.522 -12.719 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.771 7.533 -10.941 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.299 7.225 -11.892 1.00 0.00 H new ATOM 336 N TYR A 25 -7.177 3.280 -8.255 1.00 0.00 N ATOM 337 CA TYR A 25 -6.745 2.772 -6.972 1.00 0.00 C ATOM 338 C TYR A 25 -7.308 3.667 -5.861 1.00 0.00 C ATOM 339 O TYR A 25 -7.735 4.795 -6.136 1.00 0.00 O ATOM 340 CB TYR A 25 -5.189 2.591 -6.927 1.00 0.00 C ATOM 341 CG TYR A 25 -4.383 3.707 -6.416 1.00 0.00 C ATOM 342 CD1 TYR A 25 -4.321 3.913 -5.086 1.00 0.00 C ATOM 343 CD2 TYR A 25 -3.673 4.524 -7.248 1.00 0.00 C ATOM 344 CE1 TYR A 25 -3.601 4.887 -4.556 1.00 0.00 C ATOM 345 CE2 TYR A 25 -2.919 5.540 -6.733 1.00 0.00 C ATOM 346 CZ TYR A 25 -2.883 5.727 -5.371 1.00 0.00 C ATOM 347 OH TYR A 25 -2.130 6.746 -4.830 1.00 0.00 O ATOM 0 H TYR A 25 -7.744 4.125 -8.185 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.144 1.771 -6.808 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -4.972 1.714 -6.317 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.849 2.368 -7.938 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.878 3.260 -4.431 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -3.708 4.367 -8.316 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.578 5.022 -3.485 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -2.357 6.189 -7.388 1.00 0.00 H new ATOM 0 HH TYR A 25 -1.686 7.242 -5.549 1.00 0.00 H new ATOM 357 N GLY A 26 -7.324 3.164 -4.648 1.00 0.00 N ATOM 358 CA GLY A 26 -7.770 3.912 -3.491 1.00 0.00 C ATOM 359 C GLY A 26 -6.662 3.880 -2.473 1.00 0.00 C ATOM 360 O GLY A 26 -5.941 2.894 -2.422 1.00 0.00 O ATOM 0 H GLY A 26 -7.025 2.213 -4.433 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -8.006 4.940 -3.767 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.680 3.475 -3.080 1.00 0.00 H new ATOM 364 N GLY A 27 -6.532 4.894 -1.635 1.00 0.00 N ATOM 365 CA GLY A 27 -5.340 4.964 -0.807 1.00 0.00 C ATOM 366 C GLY A 27 -5.645 4.870 0.633 1.00 0.00 C ATOM 367 O GLY A 27 -5.538 5.862 1.374 1.00 0.00 O ATOM 0 H GLY A 27 -7.205 5.650 -1.511 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.661 4.158 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.819 5.901 -1.004 1.00 0.00 H new ATOM 371 N LEU A 28 -6.022 3.713 1.041 1.00 0.00 N ATOM 372 CA LEU A 28 -6.356 3.486 2.380 1.00 0.00 C ATOM 373 C LEU A 28 -5.312 2.649 3.037 1.00 0.00 C ATOM 374 O LEU A 28 -4.854 1.663 2.490 1.00 0.00 O ATOM 375 CB LEU A 28 -7.834 2.994 2.613 1.00 0.00 C ATOM 376 CG LEU A 28 -8.431 1.800 1.785 1.00 0.00 C ATOM 377 CD1 LEU A 28 -8.543 2.116 0.301 1.00 0.00 C ATOM 378 CD2 LEU A 28 -7.673 0.498 2.008 1.00 0.00 C ATOM 0 H LEU A 28 -6.105 2.894 0.439 1.00 0.00 H new ATOM 0 HA LEU A 28 -6.357 4.454 2.882 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.918 2.726 3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -8.485 3.853 2.450 1.00 0.00 H new ATOM 0 HG LEU A 28 -9.443 1.658 2.165 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -8.961 1.257 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -9.194 2.979 0.161 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -7.554 2.339 -0.099 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.127 -0.294 1.412 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -6.633 0.627 1.708 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -7.716 0.228 3.063 1.00 0.00 H new ATOM 390 N ILE A 29 -4.879 3.088 4.157 1.00 0.00 N ATOM 391 CA ILE A 29 -3.845 2.401 4.841 1.00 0.00 C ATOM 392 C ILE A 29 -4.300 1.587 5.965 1.00 0.00 C ATOM 393 O ILE A 29 -5.333 1.866 6.578 1.00 0.00 O ATOM 394 CB ILE A 29 -2.686 3.282 5.226 1.00 0.00 C ATOM 395 CG1 ILE A 29 -3.158 4.644 5.779 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.810 3.405 4.034 1.00 0.00 C ATOM 397 CD1 ILE A 29 -2.035 5.565 6.199 1.00 0.00 C ATOM 0 H ILE A 29 -5.225 3.926 4.625 1.00 0.00 H new ATOM 0 HA ILE A 29 -3.473 1.698 4.096 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.119 2.838 6.044 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.758 5.144 5.019 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.810 4.470 6.635 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.956 4.038 4.274 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.457 2.417 3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -2.373 3.850 3.213 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.452 6.499 6.575 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.447 5.088 6.983 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.395 5.773 5.342 1.00 0.00 H new ATOM 409 N PHE A 30 -3.495 0.606 6.266 1.00 0.00 N ATOM 410 CA PHE A 30 -3.839 -0.388 7.271 1.00 0.00 C ATOM 411 C PHE A 30 -3.644 0.137 8.679 1.00 0.00 C ATOM 412 O PHE A 30 -2.652 -0.179 9.332 1.00 0.00 O ATOM 413 CB PHE A 30 -3.033 -1.701 7.128 1.00 0.00 C ATOM 414 CG PHE A 30 -3.034 -2.335 5.768 1.00 0.00 C ATOM 415 CD1 PHE A 30 -4.080 -3.152 5.339 1.00 0.00 C ATOM 416 CD2 PHE A 30 -1.970 -2.121 4.924 1.00 0.00 C ATOM 417 CE1 PHE A 30 -4.043 -3.731 4.073 1.00 0.00 C ATOM 418 CE2 PHE A 30 -1.931 -2.688 3.684 1.00 0.00 C ATOM 419 CZ PHE A 30 -2.962 -3.491 3.250 1.00 0.00 C ATOM 0 H PHE A 30 -2.584 0.464 5.830 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.893 -0.604 7.097 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.000 -1.501 7.412 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.426 -2.424 7.843 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.921 -3.336 5.991 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.152 -1.494 5.248 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.853 -4.362 3.739 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.085 -2.506 3.038 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.924 -3.933 2.265 1.00 0.00 H new ATOM 429 N VAL A 31 -4.520 0.990 9.121 1.00 0.00 N ATOM 430 CA VAL A 31 -4.501 1.361 10.500 1.00 0.00 C ATOM 431 C VAL A 31 -5.619 0.621 11.139 1.00 0.00 C ATOM 432 O VAL A 31 -6.786 0.813 10.777 1.00 0.00 O ATOM 433 CB VAL A 31 -4.616 2.872 10.765 1.00 0.00 C ATOM 434 CG1 VAL A 31 -4.678 3.136 12.263 1.00 0.00 C ATOM 435 CG2 VAL A 31 -3.435 3.609 10.147 1.00 0.00 C ATOM 0 H VAL A 31 -5.244 1.434 8.556 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.529 1.102 10.920 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.533 3.240 10.305 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.759 4.208 12.440 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.547 2.631 12.686 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.772 2.757 12.737 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.530 4.677 10.343 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.507 3.241 10.585 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.422 3.437 9.071 1.00 0.00 H new ATOM 445 N ALA A 32 -5.258 -0.227 12.059 1.00 0.00 N ATOM 446 CA ALA A 32 -6.154 -1.165 12.662 1.00 0.00 C ATOM 447 C ALA A 32 -7.375 -0.508 13.259 1.00 0.00 C ATOM 448 O ALA A 32 -7.277 0.323 14.158 1.00 0.00 O ATOM 449 CB ALA A 32 -5.430 -2.001 13.688 1.00 0.00 C ATOM 0 H ALA A 32 -4.305 -0.285 12.419 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.516 -1.817 11.867 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.126 -2.709 14.137 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.618 -2.546 13.206 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -5.022 -1.353 14.463 1.00 0.00 H new ATOM 455 N THR A 33 -8.501 -0.823 12.665 1.00 0.00 N ATOM 456 CA THR A 33 -9.840 -0.445 13.102 1.00 0.00 C ATOM 457 C THR A 33 -10.141 1.053 12.943 1.00 0.00 C ATOM 458 O THR A 33 -11.122 1.558 13.499 1.00 0.00 O ATOM 459 CB THR A 33 -10.211 -0.987 14.543 1.00 0.00 C ATOM 460 OG1 THR A 33 -9.287 -0.536 15.560 1.00 0.00 O ATOM 461 CG2 THR A 33 -10.236 -2.506 14.547 1.00 0.00 C ATOM 0 H THR A 33 -8.517 -1.383 11.813 1.00 0.00 H new ATOM 0 HA THR A 33 -10.508 -0.956 12.409 1.00 0.00 H new ATOM 0 HB THR A 33 -11.198 -0.589 14.778 1.00 0.00 H new ATOM 0 HG1 THR A 33 -8.693 0.146 15.183 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.492 -2.863 15.544 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.980 -2.860 13.833 1.00 0.00 H new ATOM 0 HG23 THR A 33 -9.254 -2.887 14.267 1.00 0.00 H new ATOM 469 N SER A 34 -9.359 1.749 12.127 1.00 0.00 N ATOM 470 CA SER A 34 -9.574 3.137 11.927 1.00 0.00 C ATOM 471 C SER A 34 -10.653 3.310 10.878 1.00 0.00 C ATOM 472 O SER A 34 -10.749 2.520 9.948 1.00 0.00 O ATOM 473 CB SER A 34 -8.277 3.819 11.476 1.00 0.00 C ATOM 474 OG SER A 34 -8.473 5.209 11.201 1.00 0.00 O ATOM 0 H SER A 34 -8.577 1.356 11.603 1.00 0.00 H new ATOM 0 HA SER A 34 -9.889 3.601 12.862 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.519 3.706 12.251 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.897 3.322 10.583 1.00 0.00 H new ATOM 0 HG SER A 34 -7.624 5.609 10.918 1.00 0.00 H new ATOM 480 N PRO A 35 -11.532 4.283 11.044 1.00 0.00 N ATOM 481 CA PRO A 35 -12.513 4.593 10.041 1.00 0.00 C ATOM 482 C PRO A 35 -11.997 5.659 9.074 1.00 0.00 C ATOM 483 O PRO A 35 -12.723 6.123 8.196 1.00 0.00 O ATOM 484 CB PRO A 35 -13.689 5.104 10.852 1.00 0.00 C ATOM 485 CG PRO A 35 -13.090 5.675 12.109 1.00 0.00 C ATOM 486 CD PRO A 35 -11.697 5.112 12.252 1.00 0.00 C ATOM 0 HA PRO A 35 -12.769 3.739 9.414 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -14.245 5.863 10.302 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -14.388 4.299 11.080 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -13.059 6.763 12.057 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.698 5.414 12.975 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.948 5.903 12.301 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.595 4.520 13.161 1.00 0.00 H new ATOM 494 N ARG A 36 -10.734 6.045 9.255 1.00 0.00 N ATOM 495 CA ARG A 36 -10.088 7.026 8.401 1.00 0.00 C ATOM 496 C ARG A 36 -8.861 6.422 7.739 1.00 0.00 C ATOM 497 O ARG A 36 -8.124 7.086 7.019 1.00 0.00 O ATOM 498 CB ARG A 36 -9.720 8.283 9.179 1.00 0.00 C ATOM 499 CG ARG A 36 -10.920 9.059 9.703 1.00 0.00 C ATOM 500 CD ARG A 36 -10.479 10.323 10.406 1.00 0.00 C ATOM 501 NE ARG A 36 -9.718 11.202 9.516 1.00 0.00 N ATOM 502 CZ ARG A 36 -8.937 12.205 9.915 1.00 0.00 C ATOM 503 NH1 ARG A 36 -8.769 12.449 11.215 1.00 0.00 N ATOM 504 NH2 ARG A 36 -8.295 12.939 9.015 1.00 0.00 N ATOM 0 H ARG A 36 -10.136 5.684 9.998 1.00 0.00 H new ATOM 0 HA ARG A 36 -10.796 7.316 7.624 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -9.085 8.005 10.020 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.130 8.936 8.536 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.585 9.311 8.877 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.490 8.435 10.392 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -11.354 10.854 10.781 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -9.868 10.064 11.271 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.791 11.033 8.513 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -9.239 11.867 11.908 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -8.170 13.218 11.516 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.400 12.735 8.021 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.696 13.708 9.317 1.00 0.00 H new ATOM 518 N CYS A 37 -8.685 5.144 7.954 1.00 0.00 N ATOM 519 CA CYS A 37 -7.640 4.347 7.398 1.00 0.00 C ATOM 520 C CYS A 37 -8.191 2.953 7.433 1.00 0.00 C ATOM 521 O CYS A 37 -8.476 2.451 8.490 1.00 0.00 O ATOM 522 CB CYS A 37 -6.377 4.453 8.243 1.00 0.00 C ATOM 523 SG CYS A 37 -5.629 6.098 8.312 1.00 0.00 S ATOM 0 H CYS A 37 -9.307 4.607 8.558 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.359 4.660 6.393 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.612 4.136 9.259 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.639 3.752 7.853 1.00 0.00 H new ATOM 0 HG CYS A 37 -6.437 6.965 7.778 1.00 0.00 H new ATOM 529 N VAL A 38 -8.352 2.342 6.311 1.00 0.00 N ATOM 530 CA VAL A 38 -9.092 1.130 6.267 1.00 0.00 C ATOM 531 C VAL A 38 -8.201 -0.084 6.166 1.00 0.00 C ATOM 532 O VAL A 38 -7.225 -0.113 5.423 1.00 0.00 O ATOM 533 CB VAL A 38 -10.195 1.208 5.146 1.00 0.00 C ATOM 534 CG1 VAL A 38 -10.424 -0.103 4.465 1.00 0.00 C ATOM 535 CG2 VAL A 38 -11.506 1.652 5.765 1.00 0.00 C ATOM 0 H VAL A 38 -7.983 2.660 5.415 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.613 1.005 7.216 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.839 1.919 4.400 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -11.194 0.013 3.703 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.498 -0.437 3.997 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.747 -0.842 5.198 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.273 1.707 4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.810 0.934 6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.379 2.634 6.221 1.00 0.00 H new ATOM 545 N ASN A 39 -8.565 -1.066 6.935 1.00 0.00 N ATOM 546 CA ASN A 39 -7.874 -2.324 7.011 1.00 0.00 C ATOM 547 C ASN A 39 -8.660 -3.369 6.328 1.00 0.00 C ATOM 548 O ASN A 39 -9.833 -3.147 6.036 1.00 0.00 O ATOM 549 CB ASN A 39 -7.527 -2.694 8.466 1.00 0.00 C ATOM 550 CG ASN A 39 -8.644 -2.421 9.436 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.780 -1.329 9.939 1.00 0.00 O ATOM 552 ND2 ASN A 39 -9.383 -3.392 9.762 1.00 0.00 N ATOM 0 H ASN A 39 -9.378 -1.014 7.548 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.919 -2.235 6.492 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -7.267 -3.751 8.512 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.644 -2.135 8.774 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.113 -3.264 10.463 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.250 -4.304 9.324 1.00 0.00 H new ATOM 559 N VAL A 40 -8.022 -4.507 6.075 1.00 0.00 N ATOM 560 CA VAL A 40 -8.575 -5.641 5.326 1.00 0.00 C ATOM 561 C VAL A 40 -10.019 -5.996 5.741 1.00 0.00 C ATOM 562 O VAL A 40 -10.828 -6.392 4.915 1.00 0.00 O ATOM 563 CB VAL A 40 -7.613 -6.885 5.411 1.00 0.00 C ATOM 564 CG1 VAL A 40 -7.340 -7.302 6.838 1.00 0.00 C ATOM 565 CG2 VAL A 40 -8.136 -8.060 4.626 1.00 0.00 C ATOM 0 H VAL A 40 -7.069 -4.676 6.396 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.641 -5.332 4.283 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.672 -6.563 4.964 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.672 -8.163 6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.873 -6.477 7.375 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.278 -7.567 7.325 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.440 -8.895 4.713 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -9.109 -8.356 5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -8.238 -7.781 3.577 1.00 0.00 H new ATOM 575 N GLU A 41 -10.331 -5.783 6.984 1.00 0.00 N ATOM 576 CA GLU A 41 -11.619 -6.025 7.513 1.00 0.00 C ATOM 577 C GLU A 41 -12.679 -5.106 6.887 1.00 0.00 C ATOM 578 O GLU A 41 -13.599 -5.583 6.232 1.00 0.00 O ATOM 579 CB GLU A 41 -11.577 -5.889 9.007 1.00 0.00 C ATOM 580 CG GLU A 41 -10.757 -6.977 9.687 1.00 0.00 C ATOM 581 CD GLU A 41 -9.282 -6.640 9.853 1.00 0.00 C ATOM 582 OE1 GLU A 41 -8.747 -5.800 9.095 1.00 0.00 O ATOM 583 OE2 GLU A 41 -8.643 -7.177 10.780 1.00 0.00 O ATOM 0 H GLU A 41 -9.668 -5.425 7.671 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.914 -7.043 7.260 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.161 -4.915 9.265 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.595 -5.914 9.396 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.185 -7.177 10.670 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.844 -7.896 9.108 1.00 0.00 H new ATOM 590 N GLN A 42 -12.513 -3.785 7.028 1.00 0.00 N ATOM 591 CA GLN A 42 -13.459 -2.834 6.442 1.00 0.00 C ATOM 592 C GLN A 42 -13.324 -2.827 4.937 1.00 0.00 C ATOM 593 O GLN A 42 -14.305 -2.642 4.194 1.00 0.00 O ATOM 594 CB GLN A 42 -13.148 -1.462 6.952 1.00 0.00 C ATOM 595 CG GLN A 42 -13.365 -1.297 8.416 1.00 0.00 C ATOM 596 CD GLN A 42 -12.595 -0.168 8.930 1.00 0.00 C ATOM 597 OE1 GLN A 42 -13.053 0.970 8.957 1.00 0.00 O ATOM 598 NE2 GLN A 42 -11.434 -0.463 9.374 1.00 0.00 N ATOM 0 H GLN A 42 -11.740 -3.356 7.537 1.00 0.00 H new ATOM 0 HA GLN A 42 -14.473 -3.126 6.716 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.109 -1.226 6.720 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.766 -0.739 6.420 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.425 -1.141 8.616 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.073 -2.209 8.937 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -11.100 -1.426 9.328 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.841 0.264 9.774 1.00 0.00 H new ATOM 607 N ALA A 43 -12.103 -3.037 4.490 1.00 0.00 N ATOM 608 CA ALA A 43 -11.782 -3.035 3.087 1.00 0.00 C ATOM 609 C ALA A 43 -12.470 -4.165 2.343 1.00 0.00 C ATOM 610 O ALA A 43 -12.748 -4.055 1.149 1.00 0.00 O ATOM 611 CB ALA A 43 -10.283 -3.078 2.861 1.00 0.00 C ATOM 0 H ALA A 43 -11.304 -3.215 5.098 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.160 -2.097 2.680 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.076 -3.075 1.791 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.820 -2.205 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.874 -3.984 3.307 1.00 0.00 H new ATOM 617 N GLN A 44 -12.771 -5.236 3.059 1.00 0.00 N ATOM 618 CA GLN A 44 -13.405 -6.405 2.486 1.00 0.00 C ATOM 619 C GLN A 44 -14.790 -6.033 1.976 1.00 0.00 C ATOM 620 O GLN A 44 -15.269 -6.544 0.971 1.00 0.00 O ATOM 621 CB GLN A 44 -13.559 -7.473 3.560 1.00 0.00 C ATOM 622 CG GLN A 44 -13.473 -8.878 3.034 1.00 0.00 C ATOM 623 CD GLN A 44 -12.044 -9.252 2.702 1.00 0.00 C ATOM 624 OE1 GLN A 44 -11.791 -10.024 1.797 1.00 0.00 O ATOM 625 NE2 GLN A 44 -11.103 -8.715 3.451 1.00 0.00 N ATOM 0 H GLN A 44 -12.580 -5.316 4.058 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.792 -6.780 1.666 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -12.786 -7.330 4.315 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.520 -7.339 4.057 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.870 -9.571 3.775 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.093 -8.974 2.143 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.354 -8.071 4.201 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.123 -8.943 3.281 1.00 0.00 H new ATOM 634 N GLU A 45 -15.393 -5.111 2.667 1.00 0.00 N ATOM 635 CA GLU A 45 -16.732 -4.669 2.388 1.00 0.00 C ATOM 636 C GLU A 45 -16.696 -3.591 1.315 1.00 0.00 C ATOM 637 O GLU A 45 -17.475 -3.608 0.361 1.00 0.00 O ATOM 638 CB GLU A 45 -17.300 -4.078 3.661 1.00 0.00 C ATOM 639 CG GLU A 45 -17.067 -4.944 4.884 1.00 0.00 C ATOM 640 CD GLU A 45 -17.491 -4.276 6.156 1.00 0.00 C ATOM 641 OE1 GLU A 45 -16.810 -3.335 6.609 1.00 0.00 O ATOM 642 OE2 GLU A 45 -18.504 -4.683 6.739 1.00 0.00 O ATOM 0 H GLU A 45 -14.960 -4.634 3.458 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.343 -5.502 2.041 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.853 -3.098 3.829 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.371 -3.922 3.534 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -17.614 -5.880 4.771 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.009 -5.198 4.947 1.00 0.00 H new ATOM 649 N VAL A 46 -15.752 -2.683 1.453 1.00 0.00 N ATOM 650 CA VAL A 46 -15.651 -1.529 0.577 1.00 0.00 C ATOM 651 C VAL A 46 -15.197 -1.941 -0.849 1.00 0.00 C ATOM 652 O VAL A 46 -15.522 -1.277 -1.836 1.00 0.00 O ATOM 653 CB VAL A 46 -14.732 -0.425 1.214 1.00 0.00 C ATOM 654 CG1 VAL A 46 -13.277 -0.791 1.193 1.00 0.00 C ATOM 655 CG2 VAL A 46 -14.970 0.944 0.614 1.00 0.00 C ATOM 0 H VAL A 46 -15.032 -2.722 2.175 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.643 -1.090 0.467 1.00 0.00 H new ATOM 0 HB VAL A 46 -15.025 -0.371 2.263 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -12.694 0.010 1.646 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -13.126 -1.713 1.755 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -12.953 -0.937 0.162 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -14.310 1.669 1.089 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -14.765 0.913 -0.456 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -16.007 1.237 0.776 1.00 0.00 H new ATOM 665 N MET A 47 -14.506 -3.086 -0.961 1.00 0.00 N ATOM 666 CA MET A 47 -14.074 -3.596 -2.281 1.00 0.00 C ATOM 667 C MET A 47 -15.263 -4.071 -3.113 1.00 0.00 C ATOM 668 O MET A 47 -15.167 -4.244 -4.328 1.00 0.00 O ATOM 669 CB MET A 47 -12.956 -4.685 -2.179 1.00 0.00 C ATOM 670 CG MET A 47 -13.325 -6.035 -1.531 1.00 0.00 C ATOM 671 SD MET A 47 -14.407 -7.092 -2.543 1.00 0.00 S ATOM 672 CE MET A 47 -14.497 -8.563 -1.513 1.00 0.00 C ATOM 0 H MET A 47 -14.236 -3.671 -0.171 1.00 0.00 H new ATOM 0 HA MET A 47 -13.622 -2.754 -2.805 1.00 0.00 H new ATOM 0 HB2 MET A 47 -12.591 -4.886 -3.186 1.00 0.00 H new ATOM 0 HB3 MET A 47 -12.124 -4.260 -1.617 1.00 0.00 H new ATOM 0 HG2 MET A 47 -12.407 -6.581 -1.313 1.00 0.00 H new ATOM 0 HG3 MET A 47 -13.816 -5.843 -0.577 1.00 0.00 H new ATOM 0 HE1 MET A 47 -14.739 -9.427 -2.132 1.00 0.00 H new ATOM 0 HE2 MET A 47 -13.536 -8.725 -1.025 1.00 0.00 H new ATOM 0 HE3 MET A 47 -15.271 -8.431 -0.757 1.00 0.00 H new ATOM 682 N ALA A 48 -16.388 -4.265 -2.449 1.00 0.00 N ATOM 683 CA ALA A 48 -17.602 -4.660 -3.116 1.00 0.00 C ATOM 684 C ALA A 48 -18.313 -3.426 -3.655 1.00 0.00 C ATOM 685 O ALA A 48 -19.055 -3.492 -4.639 1.00 0.00 O ATOM 686 CB ALA A 48 -18.507 -5.421 -2.156 1.00 0.00 C ATOM 0 H ALA A 48 -16.480 -4.153 -1.439 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.356 -5.319 -3.949 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.421 -5.714 -2.673 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -17.991 -6.312 -1.799 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -18.758 -4.783 -1.309 1.00 0.00 H new ATOM 692 N ALA A 49 -18.045 -2.298 -3.031 1.00 0.00 N ATOM 693 CA ALA A 49 -18.678 -1.053 -3.395 1.00 0.00 C ATOM 694 C ALA A 49 -17.950 -0.388 -4.546 1.00 0.00 C ATOM 695 O ALA A 49 -18.578 0.057 -5.507 1.00 0.00 O ATOM 696 CB ALA A 49 -18.751 -0.120 -2.197 1.00 0.00 C ATOM 0 H ALA A 49 -17.383 -2.221 -2.259 1.00 0.00 H new ATOM 0 HA ALA A 49 -19.694 -1.275 -3.723 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.231 0.813 -2.491 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.330 -0.592 -1.403 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -17.744 0.088 -1.836 1.00 0.00 H new ATOM 702 N ALA A 50 -16.629 -0.340 -4.474 1.00 0.00 N ATOM 703 CA ALA A 50 -15.870 0.267 -5.474 1.00 0.00 C ATOM 704 C ALA A 50 -14.798 -0.699 -5.894 1.00 0.00 C ATOM 705 O ALA A 50 -13.845 -0.934 -5.154 1.00 0.00 O ATOM 706 CB ALA A 50 -15.273 1.541 -4.942 1.00 0.00 C ATOM 0 H ALA A 50 -16.083 -0.731 -3.706 1.00 0.00 H new ATOM 0 HA ALA A 50 -16.487 0.519 -6.337 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -14.679 2.018 -5.722 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.071 2.215 -4.631 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -14.635 1.315 -4.087 1.00 0.00 H new ATOM 712 N PRO A 51 -14.955 -1.321 -7.058 1.00 0.00 N ATOM 713 CA PRO A 51 -13.991 -2.284 -7.578 1.00 0.00 C ATOM 714 C PRO A 51 -12.754 -1.594 -8.175 1.00 0.00 C ATOM 715 O PRO A 51 -12.404 -1.773 -9.352 1.00 0.00 O ATOM 716 CB PRO A 51 -14.789 -3.042 -8.637 1.00 0.00 C ATOM 717 CG PRO A 51 -15.826 -2.084 -9.105 1.00 0.00 C ATOM 718 CD PRO A 51 -16.111 -1.155 -7.961 1.00 0.00 C ATOM 0 HA PRO A 51 -13.587 -2.938 -6.805 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.148 -3.361 -9.459 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.243 -3.941 -8.219 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -15.474 -1.529 -9.975 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -16.730 -2.612 -9.408 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -16.205 -0.124 -8.301 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.045 -1.413 -7.462 1.00 0.00 H new ATOM 726 N LEU A 52 -12.127 -0.792 -7.357 1.00 0.00 N ATOM 727 CA LEU A 52 -10.901 -0.119 -7.692 1.00 0.00 C ATOM 728 C LEU A 52 -9.721 -0.916 -7.135 1.00 0.00 C ATOM 729 O LEU A 52 -9.926 -1.965 -6.507 1.00 0.00 O ATOM 730 CB LEU A 52 -10.944 1.335 -7.149 1.00 0.00 C ATOM 731 CG LEU A 52 -11.433 1.524 -5.694 1.00 0.00 C ATOM 732 CD1 LEU A 52 -10.341 1.279 -4.687 1.00 0.00 C ATOM 733 CD2 LEU A 52 -12.068 2.875 -5.476 1.00 0.00 C ATOM 0 H LEU A 52 -12.463 -0.584 -6.417 1.00 0.00 H new ATOM 0 HA LEU A 52 -10.777 -0.059 -8.773 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -9.942 1.756 -7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.589 1.922 -7.803 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.202 0.768 -5.536 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -10.735 1.424 -3.681 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -9.974 0.258 -4.789 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.522 1.977 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.395 2.960 -4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.341 3.658 -5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.927 2.984 -6.138 1.00 0.00 H new ATOM 745 N GLN A 53 -8.512 -0.479 -7.394 1.00 0.00 N ATOM 746 CA GLN A 53 -7.353 -1.147 -6.820 1.00 0.00 C ATOM 747 C GLN A 53 -7.179 -0.767 -5.393 1.00 0.00 C ATOM 748 O GLN A 53 -7.137 0.412 -5.056 1.00 0.00 O ATOM 749 CB GLN A 53 -6.063 -0.791 -7.509 1.00 0.00 C ATOM 750 CG GLN A 53 -5.810 -1.419 -8.838 1.00 0.00 C ATOM 751 CD GLN A 53 -4.467 -0.965 -9.401 1.00 0.00 C ATOM 752 OE1 GLN A 53 -4.282 -0.893 -10.600 1.00 0.00 O ATOM 753 NE2 GLN A 53 -3.507 -0.662 -8.528 1.00 0.00 N ATOM 0 H GLN A 53 -8.299 0.323 -7.988 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.552 -2.212 -6.941 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.033 0.291 -7.635 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -5.240 -1.058 -6.846 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.821 -2.505 -8.741 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -6.609 -1.153 -9.530 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.688 -0.731 -7.527 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.591 -0.361 -8.861 1.00 0.00 H new ATOM 762 N TYR A 54 -7.054 -1.726 -4.567 1.00 0.00 N ATOM 763 CA TYR A 54 -6.753 -1.462 -3.215 1.00 0.00 C ATOM 764 C TYR A 54 -5.285 -1.612 -3.026 1.00 0.00 C ATOM 765 O TYR A 54 -4.678 -2.610 -3.464 1.00 0.00 O ATOM 766 CB TYR A 54 -7.592 -2.310 -2.262 1.00 0.00 C ATOM 767 CG TYR A 54 -9.020 -1.830 -2.230 1.00 0.00 C ATOM 768 CD1 TYR A 54 -9.940 -2.192 -3.207 1.00 0.00 C ATOM 769 CD2 TYR A 54 -9.422 -0.956 -1.250 1.00 0.00 C ATOM 770 CE1 TYR A 54 -11.220 -1.676 -3.197 1.00 0.00 C ATOM 771 CE2 TYR A 54 -10.694 -0.448 -1.220 1.00 0.00 C ATOM 772 CZ TYR A 54 -11.589 -0.801 -2.195 1.00 0.00 C ATOM 773 OH TYR A 54 -12.842 -0.252 -2.183 1.00 0.00 O ATOM 0 H TYR A 54 -7.156 -2.713 -4.803 1.00 0.00 H new ATOM 0 HA TYR A 54 -7.025 -0.437 -2.963 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -7.562 -3.354 -2.575 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -7.167 -2.266 -1.259 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.650 -2.885 -3.983 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.719 -0.662 -0.485 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.926 -1.954 -3.966 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.990 0.228 -0.431 1.00 0.00 H new ATOM 0 HH TYR A 54 -13.269 -0.393 -3.054 1.00 0.00 H new ATOM 783 N VAL A 55 -4.695 -0.609 -2.474 1.00 0.00 N ATOM 784 CA VAL A 55 -3.291 -0.579 -2.318 1.00 0.00 C ATOM 785 C VAL A 55 -2.982 -0.492 -0.850 1.00 0.00 C ATOM 786 O VAL A 55 -3.775 0.041 -0.078 1.00 0.00 O ATOM 787 CB VAL A 55 -2.654 0.619 -3.104 1.00 0.00 C ATOM 788 CG1 VAL A 55 -2.964 1.966 -2.460 1.00 0.00 C ATOM 789 CG2 VAL A 55 -1.172 0.433 -3.265 1.00 0.00 C ATOM 0 H VAL A 55 -5.179 0.215 -2.118 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.857 -1.489 -2.733 1.00 0.00 H new ATOM 0 HB VAL A 55 -3.111 0.624 -4.094 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.501 2.763 -3.042 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.043 2.117 -2.433 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.570 1.983 -1.444 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.757 1.278 -3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.704 0.373 -2.282 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.979 -0.487 -3.816 1.00 0.00 H new ATOM 799 N GLY A 56 -1.888 -1.049 -0.469 1.00 0.00 N ATOM 800 CA GLY A 56 -1.502 -1.000 0.900 1.00 0.00 C ATOM 801 C GLY A 56 -0.184 -0.343 1.065 1.00 0.00 C ATOM 802 O GLY A 56 0.747 -0.701 0.403 1.00 0.00 O ATOM 0 H GLY A 56 -1.243 -1.545 -1.084 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.255 -0.459 1.473 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.460 -2.011 1.304 1.00 0.00 H new ATOM 806 N VAL A 57 -0.108 0.628 1.924 1.00 0.00 N ATOM 807 CA VAL A 57 1.133 1.351 2.171 1.00 0.00 C ATOM 808 C VAL A 57 1.404 1.298 3.655 1.00 0.00 C ATOM 809 O VAL A 57 0.714 1.948 4.426 1.00 0.00 O ATOM 810 CB VAL A 57 1.025 2.845 1.751 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.371 3.545 1.854 1.00 0.00 C ATOM 812 CG2 VAL A 57 0.422 3.004 0.361 1.00 0.00 C ATOM 0 H VAL A 57 -0.898 0.953 2.482 1.00 0.00 H new ATOM 0 HA VAL A 57 1.930 0.890 1.587 1.00 0.00 H new ATOM 0 HB VAL A 57 0.344 3.327 2.452 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.263 4.587 1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.727 3.499 2.883 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.089 3.051 1.199 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.365 4.063 0.108 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.048 2.490 -0.368 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.579 2.573 0.347 1.00 0.00 H new ATOM 822 N PHE A 58 2.359 0.530 4.078 1.00 0.00 N ATOM 823 CA PHE A 58 2.559 0.394 5.502 1.00 0.00 C ATOM 824 C PHE A 58 3.903 -0.229 5.772 1.00 0.00 C ATOM 825 O PHE A 58 4.502 -0.843 4.882 1.00 0.00 O ATOM 826 CB PHE A 58 1.417 -0.484 6.084 1.00 0.00 C ATOM 827 CG PHE A 58 1.254 -0.433 7.575 1.00 0.00 C ATOM 828 CD1 PHE A 58 0.728 0.698 8.180 1.00 0.00 C ATOM 829 CD2 PHE A 58 1.593 -1.514 8.368 1.00 0.00 C ATOM 830 CE1 PHE A 58 0.548 0.750 9.544 1.00 0.00 C ATOM 831 CE2 PHE A 58 1.419 -1.466 9.735 1.00 0.00 C ATOM 832 CZ PHE A 58 0.896 -0.332 10.323 1.00 0.00 C ATOM 0 H PHE A 58 2.999 -0.001 3.486 1.00 0.00 H new ATOM 0 HA PHE A 58 2.538 1.373 5.980 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.478 -0.178 5.623 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.594 -1.519 5.791 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.456 1.549 7.574 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.998 -2.405 7.912 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.135 1.637 10.002 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.692 -2.315 10.345 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.760 -0.293 11.394 1.00 0.00 H new ATOM 842 N ARG A 59 4.415 -0.031 6.962 1.00 0.00 N ATOM 843 CA ARG A 59 5.612 -0.700 7.337 1.00 0.00 C ATOM 844 C ARG A 59 5.243 -1.995 7.970 1.00 0.00 C ATOM 845 O ARG A 59 4.929 -2.061 9.164 1.00 0.00 O ATOM 846 CB ARG A 59 6.491 0.113 8.277 1.00 0.00 C ATOM 847 CG ARG A 59 7.064 1.358 7.658 1.00 0.00 C ATOM 848 CD ARG A 59 8.071 2.010 8.579 1.00 0.00 C ATOM 849 NE ARG A 59 7.485 2.369 9.865 1.00 0.00 N ATOM 850 CZ ARG A 59 8.008 2.043 11.053 1.00 0.00 C ATOM 851 NH1 ARG A 59 9.005 1.157 11.134 1.00 0.00 N ATOM 852 NH2 ARG A 59 7.489 2.532 12.165 1.00 0.00 N ATOM 0 H ARG A 59 4.018 0.583 7.673 1.00 0.00 H new ATOM 0 HA ARG A 59 6.205 -0.855 6.436 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.906 0.392 9.154 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.310 -0.516 8.627 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.541 1.110 6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 59 6.261 2.061 7.437 1.00 0.00 H new ATOM 0 HD2 ARG A 59 8.908 1.331 8.739 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.473 2.904 8.102 1.00 0.00 H new ATOM 0 HE ARG A 59 6.617 2.905 9.859 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.373 0.724 10.287 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.398 0.914 12.043 1.00 0.00 H new ATOM 0 HH21 ARG A 59 6.687 3.160 12.120 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.890 2.281 13.069 1.00 0.00 H new ATOM 866 N ASN A 60 5.213 -2.993 7.171 1.00 0.00 N ATOM 867 CA ASN A 60 4.927 -4.285 7.602 1.00 0.00 C ATOM 868 C ASN A 60 6.241 -4.918 7.794 1.00 0.00 C ATOM 869 O ASN A 60 7.038 -5.033 6.864 1.00 0.00 O ATOM 870 CB ASN A 60 4.108 -5.048 6.567 1.00 0.00 C ATOM 871 CG ASN A 60 2.725 -4.463 6.317 1.00 0.00 C ATOM 872 OD1 ASN A 60 2.560 -3.573 5.486 1.00 0.00 O ATOM 873 ND2 ASN A 60 1.721 -4.982 6.989 1.00 0.00 N ATOM 0 H ASN A 60 5.394 -2.919 6.170 1.00 0.00 H new ATOM 0 HA ASN A 60 4.330 -4.282 8.514 1.00 0.00 H new ATOM 0 HB2 ASN A 60 4.658 -5.068 5.626 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.000 -6.082 6.895 1.00 0.00 H new ATOM 0 HD21 ASN A 60 0.771 -4.647 6.827 1.00 0.00 H new ATOM 0 HD22 ASN A 60 1.892 -5.720 7.672 1.00 0.00 H new ATOM 880 N HIS A 61 6.467 -5.267 8.980 1.00 0.00 N ATOM 881 CA HIS A 61 7.726 -5.821 9.420 1.00 0.00 C ATOM 882 C HIS A 61 7.787 -7.294 9.057 1.00 0.00 C ATOM 883 O HIS A 61 8.863 -7.850 8.805 1.00 0.00 O ATOM 884 CB HIS A 61 7.875 -5.669 10.946 1.00 0.00 C ATOM 885 CG HIS A 61 7.617 -4.281 11.495 1.00 0.00 C ATOM 886 ND1 HIS A 61 8.447 -3.199 11.316 1.00 0.00 N ATOM 887 CD2 HIS A 61 6.583 -3.824 12.245 1.00 0.00 C ATOM 888 CE1 HIS A 61 7.922 -2.154 11.942 1.00 0.00 C ATOM 889 NE2 HIS A 61 6.780 -2.472 12.529 1.00 0.00 N ATOM 0 H HIS A 61 5.775 -5.185 9.725 1.00 0.00 H new ATOM 0 HA HIS A 61 8.536 -5.283 8.928 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.190 -6.365 11.431 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.885 -5.969 11.226 1.00 0.00 H new ATOM 0 HD1 HIS A 61 9.321 -3.200 10.790 1.00 0.00 H new ATOM 0 HD2 HIS A 61 5.739 -4.414 12.571 1.00 0.00 H new ATOM 0 HE1 HIS A 61 8.369 -1.171 11.969 1.00 0.00 H new ATOM 897 N ASP A 62 6.636 -7.920 9.052 1.00 0.00 N ATOM 898 CA ASP A 62 6.534 -9.328 8.741 1.00 0.00 C ATOM 899 C ASP A 62 6.110 -9.509 7.305 1.00 0.00 C ATOM 900 O ASP A 62 5.061 -9.009 6.886 1.00 0.00 O ATOM 901 CB ASP A 62 5.530 -10.014 9.673 1.00 0.00 C ATOM 902 CG ASP A 62 5.481 -11.534 9.529 1.00 0.00 C ATOM 903 OD1 ASP A 62 6.109 -12.093 8.613 1.00 0.00 O ATOM 904 OD2 ASP A 62 4.824 -12.197 10.367 1.00 0.00 O ATOM 0 H ASP A 62 5.745 -7.471 9.263 1.00 0.00 H new ATOM 0 HA ASP A 62 7.512 -9.787 8.886 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.780 -9.766 10.704 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.536 -9.610 9.480 1.00 0.00 H new ATOM 909 N ILE A 63 6.911 -10.233 6.563 1.00 0.00 N ATOM 910 CA ILE A 63 6.626 -10.548 5.183 1.00 0.00 C ATOM 911 C ILE A 63 5.348 -11.357 5.052 1.00 0.00 C ATOM 912 O ILE A 63 4.548 -11.132 4.139 1.00 0.00 O ATOM 913 CB ILE A 63 7.822 -11.264 4.485 1.00 0.00 C ATOM 914 CG1 ILE A 63 7.429 -11.706 3.084 1.00 0.00 C ATOM 915 CG2 ILE A 63 8.336 -12.449 5.307 1.00 0.00 C ATOM 916 CD1 ILE A 63 8.595 -11.961 2.174 1.00 0.00 C ATOM 0 H ILE A 63 7.789 -10.625 6.903 1.00 0.00 H new ATOM 0 HA ILE A 63 6.476 -9.600 4.666 1.00 0.00 H new ATOM 0 HB ILE A 63 8.639 -10.547 4.410 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.831 -12.615 3.155 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.794 -10.941 2.638 1.00 0.00 H new ATOM 0 HG21 ILE A 63 9.169 -12.920 4.785 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.671 -12.097 6.283 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.534 -13.175 5.439 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.231 -12.272 1.195 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.182 -11.048 2.070 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.220 -12.748 2.595 1.00 0.00 H new ATOM 928 N ALA A 64 5.100 -12.205 6.022 1.00 0.00 N ATOM 929 CA ALA A 64 3.944 -13.064 5.998 1.00 0.00 C ATOM 930 C ALA A 64 2.692 -12.256 6.270 1.00 0.00 C ATOM 931 O ALA A 64 1.596 -12.635 5.879 1.00 0.00 O ATOM 932 CB ALA A 64 4.101 -14.163 7.014 1.00 0.00 C ATOM 0 H ALA A 64 5.692 -12.317 6.845 1.00 0.00 H new ATOM 0 HA ALA A 64 3.853 -13.517 5.011 1.00 0.00 H new ATOM 0 HB1 ALA A 64 3.223 -14.809 6.990 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.989 -14.750 6.781 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.204 -13.728 8.008 1.00 0.00 H new ATOM 938 N ASP A 65 2.889 -11.099 6.868 1.00 0.00 N ATOM 939 CA ASP A 65 1.799 -10.204 7.222 1.00 0.00 C ATOM 940 C ASP A 65 1.401 -9.410 6.002 1.00 0.00 C ATOM 941 O ASP A 65 0.215 -9.138 5.769 1.00 0.00 O ATOM 942 CB ASP A 65 2.211 -9.280 8.370 1.00 0.00 C ATOM 943 CG ASP A 65 1.158 -8.266 8.725 1.00 0.00 C ATOM 944 OD1 ASP A 65 0.027 -8.668 9.056 1.00 0.00 O ATOM 945 OD2 ASP A 65 1.462 -7.055 8.719 1.00 0.00 O ATOM 0 H ASP A 65 3.812 -10.749 7.124 1.00 0.00 H new ATOM 0 HA ASP A 65 0.944 -10.787 7.564 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.436 -9.883 9.250 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.129 -8.760 8.097 1.00 0.00 H new ATOM 950 N VAL A 66 2.400 -9.082 5.197 1.00 0.00 N ATOM 951 CA VAL A 66 2.176 -8.411 3.930 1.00 0.00 C ATOM 952 C VAL A 66 1.403 -9.352 3.032 1.00 0.00 C ATOM 953 O VAL A 66 0.389 -8.977 2.444 1.00 0.00 O ATOM 954 CB VAL A 66 3.503 -8.047 3.213 1.00 0.00 C ATOM 955 CG1 VAL A 66 3.238 -7.207 1.974 1.00 0.00 C ATOM 956 CG2 VAL A 66 4.437 -7.322 4.142 1.00 0.00 C ATOM 0 H VAL A 66 3.381 -9.272 5.403 1.00 0.00 H new ATOM 0 HA VAL A 66 1.633 -7.487 4.128 1.00 0.00 H new ATOM 0 HB VAL A 66 3.978 -8.978 2.905 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.184 -6.965 1.489 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.609 -7.767 1.282 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.731 -6.286 2.261 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.359 -7.079 3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.964 -6.403 4.489 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.666 -7.958 4.997 1.00 0.00 H new ATOM 966 N VAL A 67 1.873 -10.605 2.980 1.00 0.00 N ATOM 967 CA VAL A 67 1.250 -11.648 2.163 1.00 0.00 C ATOM 968 C VAL A 67 -0.180 -11.859 2.606 1.00 0.00 C ATOM 969 O VAL A 67 -1.078 -11.969 1.783 1.00 0.00 O ATOM 970 CB VAL A 67 2.018 -13.001 2.259 1.00 0.00 C ATOM 971 CG1 VAL A 67 1.347 -14.088 1.420 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.453 -12.826 1.819 1.00 0.00 C ATOM 0 H VAL A 67 2.691 -10.921 3.501 1.00 0.00 H new ATOM 0 HA VAL A 67 1.281 -11.313 1.126 1.00 0.00 H new ATOM 0 HB VAL A 67 1.997 -13.316 3.302 1.00 0.00 H new ATOM 0 HG11 VAL A 67 1.910 -15.017 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.328 -14.244 1.775 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.324 -13.779 0.375 1.00 0.00 H new ATOM 0 HG21 VAL A 67 3.975 -13.780 1.892 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.477 -12.477 0.786 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.944 -12.094 2.461 1.00 0.00 H new ATOM 982 N ASP A 68 -0.364 -11.868 3.910 1.00 0.00 N ATOM 983 CA ASP A 68 -1.658 -12.053 4.543 1.00 0.00 C ATOM 984 C ASP A 68 -2.675 -11.060 4.018 1.00 0.00 C ATOM 985 O ASP A 68 -3.656 -11.444 3.392 1.00 0.00 O ATOM 986 CB ASP A 68 -1.518 -11.915 6.064 1.00 0.00 C ATOM 987 CG ASP A 68 -2.816 -12.077 6.811 1.00 0.00 C ATOM 988 OD1 ASP A 68 -3.295 -13.221 6.944 1.00 0.00 O ATOM 989 OD2 ASP A 68 -3.364 -11.064 7.319 1.00 0.00 O ATOM 0 H ASP A 68 0.398 -11.744 4.576 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.015 -13.054 4.303 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -0.807 -12.660 6.423 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.097 -10.936 6.293 1.00 0.00 H new ATOM 994 N LYS A 69 -2.397 -9.791 4.189 1.00 0.00 N ATOM 995 CA LYS A 69 -3.340 -8.748 3.801 1.00 0.00 C ATOM 996 C LYS A 69 -3.508 -8.689 2.289 1.00 0.00 C ATOM 997 O LYS A 69 -4.630 -8.515 1.789 1.00 0.00 O ATOM 998 CB LYS A 69 -2.882 -7.384 4.320 1.00 0.00 C ATOM 999 CG LYS A 69 -2.603 -7.333 5.812 1.00 0.00 C ATOM 1000 CD LYS A 69 -3.827 -7.701 6.616 1.00 0.00 C ATOM 1001 CE LYS A 69 -3.536 -7.731 8.102 1.00 0.00 C ATOM 1002 NZ LYS A 69 -2.522 -8.747 8.448 1.00 0.00 N ATOM 0 H LYS A 69 -1.527 -9.446 4.594 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.303 -8.996 4.248 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.978 -7.092 3.785 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.647 -6.645 4.082 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.788 -8.015 6.055 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.273 -6.331 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.623 -6.983 6.416 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.191 -8.678 6.297 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.189 -6.749 8.423 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.457 -7.938 8.647 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.636 -9.026 9.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.644 -9.581 7.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.571 -8.351 8.306 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.402 -8.853 1.574 1.00 0.00 N ATOM 1017 CA ALA A 70 -2.392 -8.808 0.122 1.00 0.00 C ATOM 1018 C ALA A 70 -3.253 -9.912 -0.467 1.00 0.00 C ATOM 1019 O ALA A 70 -3.955 -9.705 -1.470 1.00 0.00 O ATOM 1020 CB ALA A 70 -0.969 -8.896 -0.397 1.00 0.00 C ATOM 0 H ALA A 70 -1.485 -9.021 1.989 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.817 -7.855 -0.193 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.976 -8.861 -1.486 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.388 -8.058 -0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.519 -9.832 -0.067 1.00 0.00 H new ATOM 1026 N LYS A 71 -3.209 -11.064 0.167 1.00 0.00 N ATOM 1027 CA LYS A 71 -3.987 -12.213 -0.227 1.00 0.00 C ATOM 1028 C LYS A 71 -5.454 -12.014 0.128 1.00 0.00 C ATOM 1029 O LYS A 71 -6.316 -12.002 -0.751 1.00 0.00 O ATOM 1030 CB LYS A 71 -3.502 -13.449 0.515 1.00 0.00 C ATOM 1031 CG LYS A 71 -4.277 -14.708 0.174 1.00 0.00 C ATOM 1032 CD LYS A 71 -4.188 -15.737 1.292 1.00 0.00 C ATOM 1033 CE LYS A 71 -2.759 -16.127 1.627 1.00 0.00 C ATOM 1034 NZ LYS A 71 -2.716 -17.082 2.752 1.00 0.00 N ATOM 0 H LYS A 71 -2.621 -11.229 0.984 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.873 -12.337 -1.304 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.448 -13.609 0.287 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.572 -13.269 1.588 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.322 -14.456 -0.007 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.888 -15.137 -0.749 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.669 -15.338 2.185 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.744 -16.629 1.003 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -2.286 -16.571 0.751 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.186 -15.235 1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.728 -17.331 2.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -3.147 -16.647 3.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -3.243 -17.942 2.498 1.00 0.00 H new ATOM 1048 N VAL A 72 -5.714 -11.842 1.432 1.00 0.00 N ATOM 1049 CA VAL A 72 -7.071 -11.779 1.974 1.00 0.00 C ATOM 1050 C VAL A 72 -7.899 -10.705 1.304 1.00 0.00 C ATOM 1051 O VAL A 72 -8.979 -10.979 0.798 1.00 0.00 O ATOM 1052 CB VAL A 72 -7.088 -11.554 3.509 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -8.508 -11.513 4.039 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -6.288 -12.622 4.228 1.00 0.00 C ATOM 0 H VAL A 72 -4.985 -11.743 2.139 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.514 -12.752 1.763 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.621 -10.588 3.703 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.489 -11.354 5.117 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.051 -10.698 3.561 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.006 -12.458 3.820 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.318 -12.438 5.302 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.716 -13.602 4.016 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.254 -12.595 3.884 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.397 -9.490 1.287 1.00 0.00 N ATOM 1065 CA LEU A 73 -8.133 -8.414 0.680 1.00 0.00 C ATOM 1066 C LEU A 73 -8.113 -8.550 -0.838 1.00 0.00 C ATOM 1067 O LEU A 73 -9.088 -8.194 -1.501 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.549 -7.049 1.115 1.00 0.00 C ATOM 1069 CG LEU A 73 -8.481 -5.818 1.012 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -8.695 -5.341 -0.419 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -9.809 -6.155 1.632 1.00 0.00 C ATOM 0 H LEU A 73 -6.494 -9.229 1.682 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.169 -8.465 1.016 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.218 -7.137 2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.662 -6.853 0.512 1.00 0.00 H new ATOM 0 HG LEU A 73 -7.994 -5.001 1.544 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.358 -4.476 -0.419 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.736 -5.064 -0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.144 -6.142 -1.006 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.472 -5.292 1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.254 -6.998 1.103 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.665 -6.420 2.680 1.00 0.00 H new ATOM 1083 N SER A 74 -7.042 -9.147 -1.347 1.00 0.00 N ATOM 1084 CA SER A 74 -6.761 -9.204 -2.756 1.00 0.00 C ATOM 1085 C SER A 74 -6.442 -7.795 -3.247 1.00 0.00 C ATOM 1086 O SER A 74 -7.282 -7.086 -3.827 1.00 0.00 O ATOM 1087 CB SER A 74 -7.881 -9.899 -3.577 1.00 0.00 C ATOM 1088 OG SER A 74 -7.565 -9.984 -4.969 1.00 0.00 O ATOM 0 H SER A 74 -6.338 -9.610 -0.772 1.00 0.00 H new ATOM 0 HA SER A 74 -5.889 -9.839 -2.915 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.047 -10.902 -3.183 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.814 -9.349 -3.452 1.00 0.00 H new ATOM 0 HG SER A 74 -8.297 -10.429 -5.444 1.00 0.00 H new ATOM 1094 N LEU A 75 -5.249 -7.357 -2.901 1.00 0.00 N ATOM 1095 CA LEU A 75 -4.752 -6.060 -3.272 1.00 0.00 C ATOM 1096 C LEU A 75 -4.289 -6.058 -4.718 1.00 0.00 C ATOM 1097 O LEU A 75 -4.575 -6.992 -5.497 1.00 0.00 O ATOM 1098 CB LEU A 75 -3.589 -5.668 -2.348 1.00 0.00 C ATOM 1099 CG LEU A 75 -3.917 -5.588 -0.862 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -2.677 -5.247 -0.067 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -4.996 -4.558 -0.619 1.00 0.00 C ATOM 0 H LEU A 75 -4.592 -7.905 -2.346 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.558 -5.334 -3.168 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.783 -6.389 -2.484 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.207 -4.699 -2.669 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.283 -6.561 -0.534 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.927 -5.193 0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.922 -6.017 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.287 -4.284 -0.397 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.221 -4.511 0.447 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.651 -3.582 -0.960 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.896 -4.837 -1.168 1.00 0.00 H new ATOM 1113 N ALA A 76 -3.614 -5.015 -5.075 1.00 0.00 N ATOM 1114 CA ALA A 76 -3.088 -4.850 -6.383 1.00 0.00 C ATOM 1115 C ALA A 76 -1.648 -4.513 -6.229 1.00 0.00 C ATOM 1116 O ALA A 76 -0.801 -5.127 -6.813 1.00 0.00 O ATOM 1117 CB ALA A 76 -3.824 -3.765 -7.120 1.00 0.00 C ATOM 0 H ALA A 76 -3.410 -4.237 -4.447 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.207 -5.761 -6.969 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.405 -3.655 -8.120 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.879 -4.028 -7.196 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.722 -2.824 -6.579 1.00 0.00 H new ATOM 1123 N ALA A 77 -1.381 -3.509 -5.423 1.00 0.00 N ATOM 1124 CA ALA A 77 -0.028 -3.166 -5.085 1.00 0.00 C ATOM 1125 C ALA A 77 0.114 -2.952 -3.590 1.00 0.00 C ATOM 1126 O ALA A 77 -0.884 -2.764 -2.884 1.00 0.00 O ATOM 1127 CB ALA A 77 0.398 -1.934 -5.820 1.00 0.00 C ATOM 0 H ALA A 77 -2.090 -2.917 -4.991 1.00 0.00 H new ATOM 0 HA ALA A 77 0.616 -3.994 -5.381 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.426 -1.688 -5.553 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.335 -2.111 -6.894 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.256 -1.105 -5.550 1.00 0.00 H new ATOM 1133 N VAL A 78 1.327 -2.990 -3.127 1.00 0.00 N ATOM 1134 CA VAL A 78 1.655 -2.752 -1.737 1.00 0.00 C ATOM 1135 C VAL A 78 2.961 -1.961 -1.675 1.00 0.00 C ATOM 1136 O VAL A 78 3.865 -2.184 -2.475 1.00 0.00 O ATOM 1137 CB VAL A 78 1.783 -4.080 -0.939 1.00 0.00 C ATOM 1138 CG1 VAL A 78 2.867 -4.965 -1.535 1.00 0.00 C ATOM 1139 CG2 VAL A 78 2.050 -3.813 0.540 1.00 0.00 C ATOM 0 H VAL A 78 2.140 -3.191 -3.710 1.00 0.00 H new ATOM 0 HA VAL A 78 0.848 -2.183 -1.276 1.00 0.00 H new ATOM 0 HB VAL A 78 0.832 -4.608 -1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.939 -5.889 -0.961 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.617 -5.200 -2.570 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.823 -4.442 -1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.135 -4.761 1.071 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.979 -3.253 0.647 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.227 -3.234 0.960 1.00 0.00 H new ATOM 1149 N GLN A 79 3.012 -0.981 -0.833 1.00 0.00 N ATOM 1150 CA GLN A 79 4.128 -0.159 -0.686 1.00 0.00 C ATOM 1151 C GLN A 79 4.856 -0.486 0.553 1.00 0.00 C ATOM 1152 O GLN A 79 4.339 -0.314 1.661 1.00 0.00 O ATOM 1153 CB GLN A 79 3.731 1.298 -0.668 1.00 0.00 C ATOM 1154 CG GLN A 79 3.547 1.925 -2.017 1.00 0.00 C ATOM 1155 CD GLN A 79 2.293 1.485 -2.716 1.00 0.00 C ATOM 1156 OE1 GLN A 79 1.276 2.126 -2.612 1.00 0.00 O ATOM 1157 NE2 GLN A 79 2.339 0.352 -3.388 1.00 0.00 N ATOM 0 H GLN A 79 2.239 -0.737 -0.214 1.00 0.00 H new ATOM 0 HA GLN A 79 4.780 -0.334 -1.542 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.801 1.398 -0.108 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.492 1.859 -0.125 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.530 3.009 -1.906 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.406 1.682 -2.642 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.215 -0.165 -3.456 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.498 -0.008 -3.840 1.00 0.00 H new ATOM 1166 N LEU A 80 6.037 -0.954 0.380 1.00 0.00 N ATOM 1167 CA LEU A 80 6.872 -1.250 1.498 1.00 0.00 C ATOM 1168 C LEU A 80 7.830 -0.119 1.680 1.00 0.00 C ATOM 1169 O LEU A 80 8.530 0.274 0.731 1.00 0.00 O ATOM 1170 CB LEU A 80 7.644 -2.588 1.354 1.00 0.00 C ATOM 1171 CG LEU A 80 6.837 -3.905 1.429 1.00 0.00 C ATOM 1172 CD1 LEU A 80 5.998 -3.979 2.699 1.00 0.00 C ATOM 1173 CD2 LEU A 80 5.987 -4.130 0.189 1.00 0.00 C ATOM 0 H LEU A 80 6.455 -1.144 -0.531 1.00 0.00 H new ATOM 0 HA LEU A 80 6.231 -1.369 2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.166 -2.571 0.397 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.406 -2.619 2.133 1.00 0.00 H new ATOM 0 HG LEU A 80 7.565 -4.716 1.467 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.445 -4.918 2.716 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.651 -3.927 3.570 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.297 -3.145 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.439 -5.067 0.289 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.281 -3.307 0.078 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.630 -4.178 -0.690 1.00 0.00 H new ATOM 1185 N HIS A 81 7.826 0.464 2.847 1.00 0.00 N ATOM 1186 CA HIS A 81 8.777 1.496 3.135 1.00 0.00 C ATOM 1187 C HIS A 81 10.094 0.817 3.431 1.00 0.00 C ATOM 1188 O HIS A 81 10.243 0.140 4.454 1.00 0.00 O ATOM 1189 CB HIS A 81 8.365 2.393 4.321 1.00 0.00 C ATOM 1190 CG HIS A 81 7.025 3.082 4.189 1.00 0.00 C ATOM 1191 ND1 HIS A 81 6.852 4.429 3.893 1.00 0.00 N ATOM 1192 CD2 HIS A 81 5.778 2.587 4.373 1.00 0.00 C ATOM 1193 CE1 HIS A 81 5.544 4.687 3.910 1.00 0.00 C ATOM 1194 NE2 HIS A 81 4.848 3.603 4.200 1.00 0.00 N ATOM 0 H HIS A 81 7.181 0.244 3.606 1.00 0.00 H new ATOM 0 HA HIS A 81 8.844 2.160 2.273 1.00 0.00 H new ATOM 0 HB2 HIS A 81 8.352 1.785 5.225 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.132 3.155 4.460 1.00 0.00 H new ATOM 0 HD1 HIS A 81 7.594 5.101 3.697 1.00 0.00 H new ATOM 0 HD2 HIS A 81 5.543 1.561 4.616 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.110 5.656 3.712 1.00 0.00 H new ATOM 1202 N GLY A 82 11.011 0.963 2.504 1.00 0.00 N ATOM 1203 CA GLY A 82 12.358 0.383 2.567 1.00 0.00 C ATOM 1204 C GLY A 82 13.152 0.658 3.836 1.00 0.00 C ATOM 1205 O GLY A 82 14.214 0.065 4.045 1.00 0.00 O ATOM 0 H GLY A 82 10.849 1.503 1.654 1.00 0.00 H new ATOM 0 HA2 GLY A 82 12.272 -0.697 2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.931 0.755 1.718 1.00 0.00 H new ATOM 1209 N ASN A 83 12.664 1.572 4.640 1.00 0.00 N ATOM 1210 CA ASN A 83 13.241 1.927 5.931 1.00 0.00 C ATOM 1211 C ASN A 83 13.476 0.679 6.824 1.00 0.00 C ATOM 1212 O ASN A 83 14.359 0.686 7.684 1.00 0.00 O ATOM 1213 CB ASN A 83 12.323 2.956 6.628 1.00 0.00 C ATOM 1214 CG ASN A 83 12.761 3.332 8.035 1.00 0.00 C ATOM 1215 OD1 ASN A 83 12.351 2.715 8.999 1.00 0.00 O ATOM 1216 ND2 ASN A 83 13.564 4.358 8.165 1.00 0.00 N ATOM 0 H ASN A 83 11.828 2.111 4.414 1.00 0.00 H new ATOM 0 HA ASN A 83 14.222 2.373 5.766 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.281 3.859 6.019 1.00 0.00 H new ATOM 0 HB3 ASN A 83 11.311 2.553 6.670 1.00 0.00 H new ATOM 0 HD21 ASN A 83 13.861 4.658 9.093 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.892 4.857 7.338 1.00 0.00 H new ATOM 1223 N GLU A 84 12.694 -0.389 6.602 1.00 0.00 N ATOM 1224 CA GLU A 84 12.855 -1.622 7.375 1.00 0.00 C ATOM 1225 C GLU A 84 14.173 -2.340 7.034 1.00 0.00 C ATOM 1226 O GLU A 84 14.978 -2.641 7.926 1.00 0.00 O ATOM 1227 CB GLU A 84 11.681 -2.571 7.098 1.00 0.00 C ATOM 1228 CG GLU A 84 10.327 -2.018 7.501 1.00 0.00 C ATOM 1229 CD GLU A 84 10.288 -1.660 8.958 1.00 0.00 C ATOM 1230 OE1 GLU A 84 10.489 -2.550 9.798 1.00 0.00 O ATOM 1231 OE2 GLU A 84 10.093 -0.469 9.285 1.00 0.00 O ATOM 0 H GLU A 84 11.953 -0.421 5.901 1.00 0.00 H new ATOM 0 HA GLU A 84 12.876 -1.347 8.429 1.00 0.00 H new ATOM 0 HB2 GLU A 84 11.663 -2.807 6.034 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.852 -3.507 7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.101 -1.135 6.903 1.00 0.00 H new ATOM 0 HG3 GLU A 84 9.554 -2.755 7.286 1.00 0.00 H new ATOM 1238 N GLU A 85 14.424 -2.516 5.747 1.00 0.00 N ATOM 1239 CA GLU A 85 15.581 -3.210 5.227 1.00 0.00 C ATOM 1240 C GLU A 85 15.447 -3.149 3.704 1.00 0.00 C ATOM 1241 O GLU A 85 14.335 -3.132 3.198 1.00 0.00 O ATOM 1242 CB GLU A 85 15.587 -4.654 5.746 1.00 0.00 C ATOM 1243 CG GLU A 85 16.953 -5.312 5.790 1.00 0.00 C ATOM 1244 CD GLU A 85 17.472 -5.749 4.457 1.00 0.00 C ATOM 1245 OE1 GLU A 85 17.125 -6.849 4.021 1.00 0.00 O ATOM 1246 OE2 GLU A 85 18.219 -4.990 3.815 1.00 0.00 O ATOM 0 H GLU A 85 13.805 -2.167 5.015 1.00 0.00 H new ATOM 0 HA GLU A 85 16.522 -2.761 5.544 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.162 -4.666 6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.931 -5.254 5.115 1.00 0.00 H new ATOM 0 HG2 GLU A 85 17.664 -4.615 6.232 1.00 0.00 H new ATOM 0 HG3 GLU A 85 16.904 -6.179 6.449 1.00 0.00 H new ATOM 1253 N GLN A 86 16.552 -3.095 2.999 1.00 0.00 N ATOM 1254 CA GLN A 86 16.576 -2.865 1.590 1.00 0.00 C ATOM 1255 C GLN A 86 16.250 -4.132 0.817 1.00 0.00 C ATOM 1256 O GLN A 86 15.403 -4.153 -0.078 1.00 0.00 O ATOM 1257 CB GLN A 86 17.952 -2.333 1.179 1.00 0.00 C ATOM 1258 CG GLN A 86 18.333 -0.918 1.682 1.00 0.00 C ATOM 1259 CD GLN A 86 18.540 -0.810 3.194 1.00 0.00 C ATOM 1260 OE1 GLN A 86 19.643 -1.026 3.694 1.00 0.00 O ATOM 1261 NE2 GLN A 86 17.504 -0.463 3.926 1.00 0.00 N ATOM 0 H GLN A 86 17.479 -3.214 3.408 1.00 0.00 H new ATOM 0 HA GLN A 86 15.813 -2.124 1.350 1.00 0.00 H new ATOM 0 HB2 GLN A 86 18.707 -3.034 1.534 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.004 -2.332 0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 86 19.248 -0.603 1.181 1.00 0.00 H new ATOM 0 HG3 GLN A 86 17.551 -0.219 1.385 1.00 0.00 H new ATOM 0 HE21 GLN A 86 16.602 -0.290 3.483 1.00 0.00 H new ATOM 0 HE22 GLN A 86 17.603 -0.367 4.937 1.00 0.00 H new ATOM 1270 N LEU A 87 16.884 -5.190 1.240 1.00 0.00 N ATOM 1271 CA LEU A 87 16.836 -6.492 0.579 1.00 0.00 C ATOM 1272 C LEU A 87 15.560 -7.202 0.924 1.00 0.00 C ATOM 1273 O LEU A 87 15.195 -8.205 0.317 1.00 0.00 O ATOM 1274 CB LEU A 87 18.015 -7.323 1.021 1.00 0.00 C ATOM 1275 CG LEU A 87 19.363 -6.710 0.727 1.00 0.00 C ATOM 1276 CD1 LEU A 87 20.440 -7.428 1.497 1.00 0.00 C ATOM 1277 CD2 LEU A 87 19.659 -6.742 -0.761 1.00 0.00 C ATOM 0 H LEU A 87 17.468 -5.184 2.076 1.00 0.00 H new ATOM 0 HA LEU A 87 16.876 -6.345 -0.500 1.00 0.00 H new ATOM 0 HB2 LEU A 87 17.937 -7.499 2.094 1.00 0.00 H new ATOM 0 HB3 LEU A 87 17.959 -8.296 0.534 1.00 0.00 H new ATOM 0 HG LEU A 87 19.343 -5.667 1.044 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.407 -6.977 1.276 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.238 -7.349 2.565 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.455 -8.479 1.207 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.635 -6.295 -0.947 1.00 0.00 H new ATOM 0 HD22 LEU A 87 19.660 -7.775 -1.110 1.00 0.00 H new ATOM 0 HD23 LEU A 87 18.894 -6.179 -1.296 1.00 0.00 H new ATOM 1289 N TYR A 88 14.913 -6.688 1.932 1.00 0.00 N ATOM 1290 CA TYR A 88 13.641 -7.162 2.377 1.00 0.00 C ATOM 1291 C TYR A 88 12.610 -7.023 1.272 1.00 0.00 C ATOM 1292 O TYR A 88 11.806 -7.919 1.048 1.00 0.00 O ATOM 1293 CB TYR A 88 13.233 -6.394 3.629 1.00 0.00 C ATOM 1294 CG TYR A 88 11.838 -6.646 4.105 1.00 0.00 C ATOM 1295 CD1 TYR A 88 11.394 -7.930 4.336 1.00 0.00 C ATOM 1296 CD2 TYR A 88 10.966 -5.592 4.330 1.00 0.00 C ATOM 1297 CE1 TYR A 88 10.125 -8.173 4.773 1.00 0.00 C ATOM 1298 CE2 TYR A 88 9.681 -5.823 4.782 1.00 0.00 C ATOM 1299 CZ TYR A 88 9.266 -7.120 5.002 1.00 0.00 C ATOM 1300 OH TYR A 88 7.992 -7.368 5.440 1.00 0.00 O ATOM 0 H TYR A 88 15.270 -5.905 2.480 1.00 0.00 H new ATOM 0 HA TYR A 88 13.706 -8.221 2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 88 13.925 -6.647 4.432 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.346 -5.327 3.435 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.064 -8.760 4.168 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.295 -4.579 4.150 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.794 -9.188 4.939 1.00 0.00 H new ATOM 0 HE2 TYR A 88 9.009 -4.997 4.961 1.00 0.00 H new ATOM 0 HH TYR A 88 7.655 -6.586 5.926 1.00 0.00 H new ATOM 1310 N ILE A 89 12.674 -5.922 0.549 1.00 0.00 N ATOM 1311 CA ILE A 89 11.749 -5.666 -0.556 1.00 0.00 C ATOM 1312 C ILE A 89 11.903 -6.748 -1.628 1.00 0.00 C ATOM 1313 O ILE A 89 10.916 -7.270 -2.181 1.00 0.00 O ATOM 1314 CB ILE A 89 11.961 -4.246 -1.175 1.00 0.00 C ATOM 1315 CG1 ILE A 89 11.403 -3.134 -0.277 1.00 0.00 C ATOM 1316 CG2 ILE A 89 11.334 -4.142 -2.538 1.00 0.00 C ATOM 1317 CD1 ILE A 89 12.162 -2.899 0.984 1.00 0.00 C ATOM 0 H ILE A 89 13.359 -5.182 0.702 1.00 0.00 H new ATOM 0 HA ILE A 89 10.735 -5.697 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 89 13.039 -4.111 -1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.380 -2.205 -0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 89 10.372 -3.377 -0.022 1.00 0.00 H new ATOM 0 HG21 ILE A 89 11.500 -3.142 -2.940 1.00 0.00 H new ATOM 0 HG22 ILE A 89 11.784 -4.879 -3.203 1.00 0.00 H new ATOM 0 HG23 ILE A 89 10.263 -4.329 -2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.690 -2.095 1.549 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.164 -3.810 1.582 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.188 -2.620 0.744 1.00 0.00 H new ATOM 1329 N ASP A 90 13.134 -7.130 -1.817 1.00 0.00 N ATOM 1330 CA ASP A 90 13.562 -8.149 -2.768 1.00 0.00 C ATOM 1331 C ASP A 90 13.015 -9.531 -2.355 1.00 0.00 C ATOM 1332 O ASP A 90 12.877 -10.445 -3.167 1.00 0.00 O ATOM 1333 CB ASP A 90 15.079 -8.150 -2.740 1.00 0.00 C ATOM 1334 CG ASP A 90 15.726 -9.070 -3.725 1.00 0.00 C ATOM 1335 OD1 ASP A 90 15.973 -10.250 -3.393 1.00 0.00 O ATOM 1336 OD2 ASP A 90 16.067 -8.612 -4.825 1.00 0.00 O ATOM 0 H ASP A 90 13.912 -6.728 -1.294 1.00 0.00 H new ATOM 0 HA ASP A 90 13.187 -7.938 -3.769 1.00 0.00 H new ATOM 0 HB2 ASP A 90 15.432 -7.136 -2.926 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.409 -8.424 -1.738 1.00 0.00 H new ATOM 1341 N THR A 91 12.655 -9.626 -1.103 1.00 0.00 N ATOM 1342 CA THR A 91 12.138 -10.817 -0.501 1.00 0.00 C ATOM 1343 C THR A 91 10.602 -10.898 -0.667 1.00 0.00 C ATOM 1344 O THR A 91 10.059 -11.960 -0.986 1.00 0.00 O ATOM 1345 CB THR A 91 12.533 -10.833 0.985 1.00 0.00 C ATOM 1346 OG1 THR A 91 13.962 -10.872 1.112 1.00 0.00 O ATOM 1347 CG2 THR A 91 11.921 -11.989 1.690 1.00 0.00 C ATOM 0 H THR A 91 12.718 -8.843 -0.453 1.00 0.00 H new ATOM 0 HA THR A 91 12.563 -11.689 -0.998 1.00 0.00 H new ATOM 0 HB THR A 91 12.158 -9.921 1.448 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.337 -10.006 0.850 1.00 0.00 H new ATOM 0 HG21 THR A 91 12.218 -11.974 2.739 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.835 -11.925 1.619 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.260 -12.917 1.230 1.00 0.00 H new ATOM 1355 N LEU A 92 9.909 -9.758 -0.477 1.00 0.00 N ATOM 1356 CA LEU A 92 8.445 -9.684 -0.629 1.00 0.00 C ATOM 1357 C LEU A 92 8.000 -10.250 -1.959 1.00 0.00 C ATOM 1358 O LEU A 92 7.002 -10.938 -2.033 1.00 0.00 O ATOM 1359 CB LEU A 92 7.910 -8.249 -0.507 1.00 0.00 C ATOM 1360 CG LEU A 92 7.676 -7.637 0.876 1.00 0.00 C ATOM 1361 CD1 LEU A 92 6.953 -8.571 1.777 1.00 0.00 C ATOM 1362 CD2 LEU A 92 8.929 -7.139 1.504 1.00 0.00 C ATOM 0 H LEU A 92 10.344 -8.873 -0.217 1.00 0.00 H new ATOM 0 HA LEU A 92 8.035 -10.280 0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.605 -7.597 -1.037 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.962 -8.209 -1.044 1.00 0.00 H new ATOM 0 HG LEU A 92 7.038 -6.767 0.719 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.807 -8.099 2.749 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.984 -8.818 1.344 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.537 -9.483 1.901 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.702 -6.716 2.483 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.631 -7.965 1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.373 -6.371 0.871 1.00 0.00 H new ATOM 1374 N ARG A 93 8.785 -9.961 -2.988 1.00 0.00 N ATOM 1375 CA ARG A 93 8.563 -10.432 -4.383 1.00 0.00 C ATOM 1376 C ARG A 93 8.228 -11.911 -4.425 1.00 0.00 C ATOM 1377 O ARG A 93 7.359 -12.355 -5.165 1.00 0.00 O ATOM 1378 CB ARG A 93 9.855 -10.282 -5.210 1.00 0.00 C ATOM 1379 CG ARG A 93 10.606 -8.996 -5.003 1.00 0.00 C ATOM 1380 CD ARG A 93 9.694 -7.837 -5.141 1.00 0.00 C ATOM 1381 NE ARG A 93 9.205 -7.675 -6.535 1.00 0.00 N ATOM 1382 CZ ARG A 93 7.935 -7.771 -6.985 1.00 0.00 C ATOM 1383 NH1 ARG A 93 6.935 -8.064 -6.160 1.00 0.00 N ATOM 1384 NH2 ARG A 93 7.682 -7.565 -8.267 1.00 0.00 N ATOM 0 H ARG A 93 9.618 -9.380 -2.893 1.00 0.00 H new ATOM 0 HA ARG A 93 7.744 -9.832 -4.781 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.518 -11.113 -4.971 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.602 -10.370 -6.267 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.064 -8.990 -4.014 1.00 0.00 H new ATOM 0 HG3 ARG A 93 11.415 -8.919 -5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 93 8.844 -7.963 -4.471 1.00 0.00 H new ATOM 0 HD3 ARG A 93 10.212 -6.929 -4.831 1.00 0.00 H new ATOM 0 HE ARG A 93 9.915 -7.466 -7.237 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.120 -8.220 -5.169 1.00 0.00 H new ATOM 0 HH12 ARG A 93 5.982 -8.132 -6.518 1.00 0.00 H new ATOM 0 HH21 ARG A 93 8.443 -7.336 -8.907 1.00 0.00 H new ATOM 0 HH22 ARG A 93 6.726 -7.635 -8.616 1.00 0.00 H new ATOM 1398 N GLU A 94 8.921 -12.629 -3.593 1.00 0.00 N ATOM 1399 CA GLU A 94 8.911 -14.069 -3.576 1.00 0.00 C ATOM 1400 C GLU A 94 7.717 -14.633 -2.844 1.00 0.00 C ATOM 1401 O GLU A 94 7.213 -15.696 -3.199 1.00 0.00 O ATOM 1402 CB GLU A 94 10.178 -14.529 -2.907 1.00 0.00 C ATOM 1403 CG GLU A 94 11.398 -13.887 -3.510 1.00 0.00 C ATOM 1404 CD GLU A 94 12.668 -14.317 -2.861 1.00 0.00 C ATOM 1405 OE1 GLU A 94 13.077 -15.475 -3.063 1.00 0.00 O ATOM 1406 OE2 GLU A 94 13.304 -13.508 -2.174 1.00 0.00 O ATOM 0 H GLU A 94 9.529 -12.220 -2.884 1.00 0.00 H new ATOM 0 HA GLU A 94 8.846 -14.428 -4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.133 -14.294 -1.844 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.260 -15.613 -2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.440 -14.128 -4.572 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.306 -12.804 -3.433 1.00 0.00 H new ATOM 1413 N ALA A 95 7.272 -13.945 -1.830 1.00 0.00 N ATOM 1414 CA ALA A 95 6.159 -14.455 -1.031 1.00 0.00 C ATOM 1415 C ALA A 95 4.818 -13.897 -1.471 1.00 0.00 C ATOM 1416 O ALA A 95 3.760 -14.483 -1.208 1.00 0.00 O ATOM 1417 CB ALA A 95 6.403 -14.258 0.447 1.00 0.00 C ATOM 0 H ALA A 95 7.645 -13.044 -1.529 1.00 0.00 H new ATOM 0 HA ALA A 95 6.109 -15.529 -1.211 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.556 -14.648 1.011 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.309 -14.788 0.740 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.520 -13.195 0.658 1.00 0.00 H new ATOM 1423 N LEU A 96 4.875 -12.800 -2.138 1.00 0.00 N ATOM 1424 CA LEU A 96 3.695 -12.154 -2.676 1.00 0.00 C ATOM 1425 C LEU A 96 3.349 -12.775 -3.980 1.00 0.00 C ATOM 1426 O LEU A 96 4.241 -13.164 -4.736 1.00 0.00 O ATOM 1427 CB LEU A 96 3.904 -10.641 -2.851 1.00 0.00 C ATOM 1428 CG LEU A 96 4.061 -9.831 -1.564 1.00 0.00 C ATOM 1429 CD1 LEU A 96 4.299 -8.375 -1.889 1.00 0.00 C ATOM 1430 CD2 LEU A 96 2.828 -9.973 -0.692 1.00 0.00 C ATOM 0 H LEU A 96 5.745 -12.307 -2.337 1.00 0.00 H new ATOM 0 HA LEU A 96 2.877 -12.291 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.791 -10.486 -3.465 1.00 0.00 H new ATOM 0 HB3 LEU A 96 3.057 -10.240 -3.408 1.00 0.00 H new ATOM 0 HG LEU A 96 4.921 -10.217 -1.017 1.00 0.00 H new ATOM 0 HD11 LEU A 96 4.409 -7.809 -0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 96 5.207 -8.279 -2.484 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.452 -7.985 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.958 -9.390 0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 96 1.955 -9.609 -1.234 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.684 -11.022 -0.434 1.00 0.00 H new ATOM 1442 N PRO A 97 2.059 -12.942 -4.255 1.00 0.00 N ATOM 1443 CA PRO A 97 1.612 -13.472 -5.513 1.00 0.00 C ATOM 1444 C PRO A 97 1.875 -12.484 -6.622 1.00 0.00 C ATOM 1445 O PRO A 97 2.075 -11.292 -6.377 1.00 0.00 O ATOM 1446 CB PRO A 97 0.108 -13.649 -5.340 1.00 0.00 C ATOM 1447 CG PRO A 97 -0.266 -12.725 -4.247 1.00 0.00 C ATOM 1448 CD PRO A 97 0.931 -12.625 -3.352 1.00 0.00 C ATOM 0 HA PRO A 97 2.124 -14.399 -5.772 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.426 -13.408 -6.260 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.141 -14.680 -5.087 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.539 -11.746 -4.642 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -1.131 -13.100 -3.699 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.029 -11.629 -2.921 1.00 0.00 H new ATOM 0 HD3 PRO A 97 0.872 -13.328 -2.521 1.00 0.00 H new ATOM 1456 N ALA A 98 1.797 -12.959 -7.830 1.00 0.00 N ATOM 1457 CA ALA A 98 2.035 -12.145 -9.015 1.00 0.00 C ATOM 1458 C ALA A 98 0.915 -11.122 -9.190 1.00 0.00 C ATOM 1459 O ALA A 98 1.017 -10.176 -9.978 1.00 0.00 O ATOM 1460 CB ALA A 98 2.114 -13.045 -10.227 1.00 0.00 C ATOM 0 H ALA A 98 1.565 -13.931 -8.037 1.00 0.00 H new ATOM 0 HA ALA A 98 2.975 -11.606 -8.900 1.00 0.00 H new ATOM 0 HB1 ALA A 98 2.292 -12.442 -11.117 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.931 -13.755 -10.100 1.00 0.00 H new ATOM 0 HB3 ALA A 98 1.176 -13.588 -10.339 1.00 0.00 H new ATOM 1466 N HIS A 99 -0.136 -11.322 -8.431 1.00 0.00 N ATOM 1467 CA HIS A 99 -1.313 -10.492 -8.471 1.00 0.00 C ATOM 1468 C HIS A 99 -1.030 -9.183 -7.748 1.00 0.00 C ATOM 1469 O HIS A 99 -1.615 -8.147 -8.076 1.00 0.00 O ATOM 1470 CB HIS A 99 -2.509 -11.196 -7.780 1.00 0.00 C ATOM 1471 CG HIS A 99 -2.569 -12.697 -7.955 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -2.336 -13.359 -9.138 1.00 0.00 N ATOM 1473 CD2 HIS A 99 -2.744 -13.660 -7.025 1.00 0.00 C ATOM 1474 CE1 HIS A 99 -2.363 -14.669 -8.888 1.00 0.00 C ATOM 1475 NE2 HIS A 99 -2.610 -14.905 -7.616 1.00 0.00 N ATOM 0 H HIS A 99 -0.197 -12.083 -7.754 1.00 0.00 H new ATOM 0 HA HIS A 99 -1.568 -10.305 -9.514 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.473 -10.973 -6.714 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.433 -10.765 -8.165 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -2.956 -13.486 -5.980 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -2.203 -15.436 -9.631 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -2.687 -15.815 -7.161 1.00 0.00 H new ATOM 1483 N VAL A 100 -0.132 -9.225 -6.761 1.00 0.00 N ATOM 1484 CA VAL A 100 0.170 -8.091 -5.991 1.00 0.00 C ATOM 1485 C VAL A 100 1.533 -7.547 -6.392 1.00 0.00 C ATOM 1486 O VAL A 100 2.502 -8.295 -6.535 1.00 0.00 O ATOM 1487 CB VAL A 100 0.156 -8.479 -4.511 1.00 0.00 C ATOM 1488 CG1 VAL A 100 0.530 -7.312 -3.656 1.00 0.00 C ATOM 1489 CG2 VAL A 100 -1.210 -9.020 -4.121 1.00 0.00 C ATOM 0 H VAL A 100 0.388 -10.063 -6.500 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.573 -7.312 -6.163 1.00 0.00 H new ATOM 0 HB VAL A 100 0.895 -9.264 -4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.514 -7.609 -2.607 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.531 -6.972 -3.922 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.182 -6.502 -3.814 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.206 -9.292 -3.066 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.967 -8.256 -4.296 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.438 -9.901 -4.722 1.00 0.00 H new ATOM 1499 N ALA A 101 1.585 -6.273 -6.591 1.00 0.00 N ATOM 1500 CA ALA A 101 2.796 -5.599 -6.969 1.00 0.00 C ATOM 1501 C ALA A 101 3.359 -4.874 -5.775 1.00 0.00 C ATOM 1502 O ALA A 101 2.689 -4.721 -4.768 1.00 0.00 O ATOM 1503 CB ALA A 101 2.526 -4.619 -8.094 1.00 0.00 C ATOM 0 H ALA A 101 0.779 -5.655 -6.496 1.00 0.00 H new ATOM 0 HA ALA A 101 3.519 -6.335 -7.320 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.453 -4.116 -8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.134 -5.156 -8.958 1.00 0.00 H new ATOM 0 HB3 ALA A 101 1.796 -3.879 -7.765 1.00 0.00 H new ATOM 1509 N ILE A 102 4.556 -4.407 -5.891 1.00 0.00 N ATOM 1510 CA ILE A 102 5.200 -3.703 -4.826 1.00 0.00 C ATOM 1511 C ILE A 102 5.619 -2.376 -5.320 1.00 0.00 C ATOM 1512 O ILE A 102 6.226 -2.277 -6.378 1.00 0.00 O ATOM 1513 CB ILE A 102 6.464 -4.415 -4.315 1.00 0.00 C ATOM 1514 CG1 ILE A 102 6.143 -5.767 -3.692 1.00 0.00 C ATOM 1515 CG2 ILE A 102 7.231 -3.509 -3.350 1.00 0.00 C ATOM 1516 CD1 ILE A 102 7.372 -6.478 -3.199 1.00 0.00 C ATOM 0 H ILE A 102 5.123 -4.502 -6.734 1.00 0.00 H new ATOM 0 HA ILE A 102 4.483 -3.641 -4.008 1.00 0.00 H new ATOM 0 HB ILE A 102 7.107 -4.618 -5.172 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.451 -5.626 -2.862 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.636 -6.392 -4.427 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.123 -4.026 -2.997 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.522 -2.593 -3.864 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.595 -3.261 -2.500 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.088 -7.436 -2.764 1.00 0.00 H new ATOM 0 HD12 ILE A 102 8.054 -6.646 -4.032 1.00 0.00 H new ATOM 0 HD13 ILE A 102 7.866 -5.868 -2.443 1.00 0.00 H new ATOM 1528 N TRP A 103 5.332 -1.363 -4.585 1.00 0.00 N ATOM 1529 CA TRP A 103 5.792 -0.077 -4.966 1.00 0.00 C ATOM 1530 C TRP A 103 6.652 0.454 -3.863 1.00 0.00 C ATOM 1531 O TRP A 103 6.538 0.020 -2.709 1.00 0.00 O ATOM 1532 CB TRP A 103 4.667 0.899 -5.282 1.00 0.00 C ATOM 1533 CG TRP A 103 3.703 0.478 -6.358 1.00 0.00 C ATOM 1534 CD1 TRP A 103 3.862 -0.486 -7.302 1.00 0.00 C ATOM 1535 CD2 TRP A 103 2.428 1.042 -6.583 1.00 0.00 C ATOM 1536 NE1 TRP A 103 2.762 -0.554 -8.100 1.00 0.00 N ATOM 1537 CE2 TRP A 103 1.858 0.382 -7.677 1.00 0.00 C ATOM 1538 CE3 TRP A 103 1.716 2.041 -5.948 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 0.600 0.702 -8.155 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 0.463 2.365 -6.412 1.00 0.00 C ATOM 1541 CH2 TRP A 103 -0.087 1.698 -7.507 1.00 0.00 C ATOM 0 H TRP A 103 4.786 -1.398 -3.724 1.00 0.00 H new ATOM 0 HA TRP A 103 6.358 -0.180 -5.892 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.102 1.078 -4.367 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.111 1.851 -5.574 1.00 0.00 H new ATOM 0 HD1 TRP A 103 4.738 -1.110 -7.405 1.00 0.00 H new ATOM 0 HE1 TRP A 103 2.633 -1.195 -8.883 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.137 2.560 -5.100 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 0.175 0.188 -9.005 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -0.102 3.145 -5.923 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -1.073 1.971 -7.852 1.00 0.00 H new ATOM 1552 N LYS A 104 7.485 1.361 -4.199 1.00 0.00 N ATOM 1553 CA LYS A 104 8.405 1.913 -3.276 1.00 0.00 C ATOM 1554 C LYS A 104 7.867 3.244 -2.814 1.00 0.00 C ATOM 1555 O LYS A 104 7.732 4.182 -3.616 1.00 0.00 O ATOM 1556 CB LYS A 104 9.777 2.043 -3.979 1.00 0.00 C ATOM 1557 CG LYS A 104 11.003 2.311 -3.085 1.00 0.00 C ATOM 1558 CD LYS A 104 11.100 3.742 -2.562 1.00 0.00 C ATOM 1559 CE LYS A 104 11.227 4.761 -3.693 1.00 0.00 C ATOM 1560 NZ LYS A 104 12.356 4.475 -4.599 1.00 0.00 N ATOM 0 H LYS A 104 7.551 1.750 -5.140 1.00 0.00 H new ATOM 0 HA LYS A 104 8.537 1.280 -2.398 1.00 0.00 H new ATOM 0 HB2 LYS A 104 9.960 1.124 -4.536 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.708 2.850 -4.709 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.975 1.628 -2.236 1.00 0.00 H new ATOM 0 HG3 LYS A 104 11.907 2.081 -3.650 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.216 3.970 -1.967 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.961 3.828 -1.899 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.301 4.776 -4.268 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.353 5.756 -3.266 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 12.499 5.281 -5.240 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.219 4.320 -4.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.147 3.622 -5.156 1.00 0.00 H new ATOM 1574 N ALA A 105 7.483 3.294 -1.553 1.00 0.00 N ATOM 1575 CA ALA A 105 7.031 4.519 -0.940 1.00 0.00 C ATOM 1576 C ALA A 105 8.216 5.448 -0.831 1.00 0.00 C ATOM 1577 O ALA A 105 9.172 5.179 -0.094 1.00 0.00 O ATOM 1578 CB ALA A 105 6.430 4.244 0.423 1.00 0.00 C ATOM 0 H ALA A 105 7.477 2.487 -0.930 1.00 0.00 H new ATOM 0 HA ALA A 105 6.252 4.980 -1.547 1.00 0.00 H new ATOM 0 HB1 ALA A 105 6.095 5.181 0.869 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.581 3.569 0.317 1.00 0.00 H new ATOM 0 HB3 ALA A 105 7.181 3.784 1.066 1.00 0.00 H new ATOM 1584 N LEU A 106 8.183 6.480 -1.607 1.00 0.00 N ATOM 1585 CA LEU A 106 9.274 7.391 -1.725 1.00 0.00 C ATOM 1586 C LEU A 106 9.347 8.352 -0.556 1.00 0.00 C ATOM 1587 O LEU A 106 8.635 9.366 -0.525 1.00 0.00 O ATOM 1588 CB LEU A 106 9.155 8.177 -3.035 1.00 0.00 C ATOM 1589 CG LEU A 106 10.314 9.103 -3.404 1.00 0.00 C ATOM 1590 CD1 LEU A 106 11.540 8.302 -3.800 1.00 0.00 C ATOM 1591 CD2 LEU A 106 9.905 10.056 -4.509 1.00 0.00 C ATOM 0 H LEU A 106 7.380 6.719 -2.189 1.00 0.00 H new ATOM 0 HA LEU A 106 10.192 6.803 -1.724 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.023 7.462 -3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.246 8.777 -2.987 1.00 0.00 H new ATOM 0 HG LEU A 106 10.572 9.695 -2.526 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.351 8.982 -4.058 1.00 0.00 H new ATOM 0 HD12 LEU A 106 11.847 7.671 -2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 106 11.303 7.676 -4.661 1.00 0.00 H new ATOM 0 HD21 LEU A 106 10.744 10.707 -4.757 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.614 9.486 -5.392 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.063 10.661 -4.174 1.00 0.00 H new ATOM 1748 N PHE A 117 16.164 0.301 -3.346 1.00 0.00 N ATOM 1749 CA PHE A 117 15.160 -0.719 -3.295 1.00 0.00 C ATOM 1750 C PHE A 117 14.829 -1.124 -4.690 1.00 0.00 C ATOM 1751 O PHE A 117 14.057 -0.455 -5.385 1.00 0.00 O ATOM 1752 CB PHE A 117 13.908 -0.208 -2.561 1.00 0.00 C ATOM 1753 CG PHE A 117 14.256 0.471 -1.272 1.00 0.00 C ATOM 1754 CD1 PHE A 117 14.761 -0.251 -0.218 1.00 0.00 C ATOM 1755 CD2 PHE A 117 14.120 1.841 -1.139 1.00 0.00 C ATOM 1756 CE1 PHE A 117 15.133 0.375 0.942 1.00 0.00 C ATOM 1757 CE2 PHE A 117 14.481 2.476 0.027 1.00 0.00 C ATOM 1758 CZ PHE A 117 14.994 1.742 1.068 1.00 0.00 C ATOM 0 HA PHE A 117 15.534 -1.581 -2.743 1.00 0.00 H new ATOM 0 HB2 PHE A 117 13.369 0.488 -3.204 1.00 0.00 H new ATOM 0 HB3 PHE A 117 13.237 -1.044 -2.362 1.00 0.00 H new ATOM 0 HD1 PHE A 117 14.866 -1.322 -0.305 1.00 0.00 H new ATOM 0 HD2 PHE A 117 13.725 2.420 -1.961 1.00 0.00 H new ATOM 0 HE1 PHE A 117 15.536 -0.203 1.760 1.00 0.00 H new ATOM 0 HE2 PHE A 117 14.362 3.545 0.123 1.00 0.00 H new ATOM 0 HZ PHE A 117 15.288 2.234 1.984 1.00 0.00 H new ATOM 1768 N GLN A 118 15.448 -2.163 -5.122 1.00 0.00 N ATOM 1769 CA GLN A 118 15.256 -2.637 -6.457 1.00 0.00 C ATOM 1770 C GLN A 118 14.184 -3.689 -6.465 1.00 0.00 C ATOM 1771 O GLN A 118 13.762 -4.161 -5.402 1.00 0.00 O ATOM 1772 CB GLN A 118 16.566 -3.165 -7.067 1.00 0.00 C ATOM 1773 CG GLN A 118 17.218 -4.292 -6.282 1.00 0.00 C ATOM 1774 CD GLN A 118 18.539 -4.768 -6.886 1.00 0.00 C ATOM 1775 OE1 GLN A 118 19.454 -5.185 -6.170 1.00 0.00 O ATOM 1776 NE2 GLN A 118 18.643 -4.756 -8.188 1.00 0.00 N ATOM 0 H GLN A 118 16.103 -2.713 -4.566 1.00 0.00 H new ATOM 0 HA GLN A 118 14.937 -1.802 -7.081 1.00 0.00 H new ATOM 0 HB2 GLN A 118 16.366 -3.514 -8.080 1.00 0.00 H new ATOM 0 HB3 GLN A 118 17.273 -2.339 -7.148 1.00 0.00 H new ATOM 0 HG2 GLN A 118 17.394 -3.958 -5.260 1.00 0.00 H new ATOM 0 HG3 GLN A 118 16.528 -5.134 -6.228 1.00 0.00 H new ATOM 0 HE21 GLN A 118 17.873 -4.406 -8.758 1.00 0.00 H new ATOM 0 HE22 GLN A 118 19.494 -5.096 -8.635 1.00 0.00 H new ATOM 1785 N HIS A 119 13.729 -4.015 -7.658 1.00 0.00 N ATOM 1786 CA HIS A 119 12.705 -5.021 -7.898 1.00 0.00 C ATOM 1787 C HIS A 119 11.320 -4.520 -7.503 1.00 0.00 C ATOM 1788 O HIS A 119 10.386 -5.289 -7.345 1.00 0.00 O ATOM 1789 CB HIS A 119 13.064 -6.398 -7.272 1.00 0.00 C ATOM 1790 CG HIS A 119 14.293 -7.003 -7.894 1.00 0.00 C ATOM 1791 ND1 HIS A 119 15.385 -7.468 -7.189 1.00 0.00 N ATOM 1792 CD2 HIS A 119 14.598 -7.183 -9.201 1.00 0.00 C ATOM 1793 CE1 HIS A 119 16.293 -7.886 -8.066 1.00 0.00 C ATOM 1794 NE2 HIS A 119 15.866 -7.739 -9.304 1.00 0.00 N ATOM 0 H HIS A 119 14.069 -3.577 -8.514 1.00 0.00 H new ATOM 0 HA HIS A 119 12.671 -5.195 -8.973 1.00 0.00 H new ATOM 0 HB2 HIS A 119 13.223 -6.277 -6.200 1.00 0.00 H new ATOM 0 HB3 HIS A 119 12.223 -7.081 -7.394 1.00 0.00 H new ATOM 0 HD1 HIS A 119 15.479 -7.488 -6.174 1.00 0.00 H new ATOM 0 HD2 HIS A 119 13.956 -6.933 -10.033 1.00 0.00 H new ATOM 0 HE1 HIS A 119 17.257 -8.294 -7.798 1.00 0.00 H new ATOM 1802 N VAL A 120 11.194 -3.207 -7.389 1.00 0.00 N ATOM 1803 CA VAL A 120 9.917 -2.578 -7.113 1.00 0.00 C ATOM 1804 C VAL A 120 9.231 -2.267 -8.428 1.00 0.00 C ATOM 1805 O VAL A 120 9.894 -1.965 -9.431 1.00 0.00 O ATOM 1806 CB VAL A 120 10.043 -1.281 -6.255 1.00 0.00 C ATOM 1807 CG1 VAL A 120 10.684 -1.588 -4.918 1.00 0.00 C ATOM 1808 CG2 VAL A 120 10.820 -0.187 -6.984 1.00 0.00 C ATOM 0 H VAL A 120 11.971 -2.553 -7.485 1.00 0.00 H new ATOM 0 HA VAL A 120 9.326 -3.278 -6.523 1.00 0.00 H new ATOM 0 HB VAL A 120 9.034 -0.905 -6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 120 10.764 -0.671 -4.334 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.072 -2.310 -4.378 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.679 -2.003 -5.078 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.884 0.698 -6.351 1.00 0.00 H new ATOM 0 HG22 VAL A 120 11.825 -0.544 -7.211 1.00 0.00 H new ATOM 0 HG23 VAL A 120 10.307 0.067 -7.912 1.00 0.00 H new ATOM 1818 N ASP A 121 7.939 -2.335 -8.437 1.00 0.00 N ATOM 1819 CA ASP A 121 7.175 -2.139 -9.670 1.00 0.00 C ATOM 1820 C ASP A 121 7.026 -0.663 -10.018 1.00 0.00 C ATOM 1821 O ASP A 121 7.237 -0.259 -11.161 1.00 0.00 O ATOM 1822 CB ASP A 121 5.803 -2.824 -9.578 1.00 0.00 C ATOM 1823 CG ASP A 121 4.921 -2.560 -10.779 1.00 0.00 C ATOM 1824 OD1 ASP A 121 5.236 -3.052 -11.885 1.00 0.00 O ATOM 1825 OD2 ASP A 121 3.876 -1.890 -10.626 1.00 0.00 O ATOM 0 H ASP A 121 7.370 -2.524 -7.612 1.00 0.00 H new ATOM 0 HA ASP A 121 7.738 -2.606 -10.479 1.00 0.00 H new ATOM 0 HB2 ASP A 121 5.948 -3.899 -9.471 1.00 0.00 H new ATOM 0 HB3 ASP A 121 5.293 -2.480 -8.678 1.00 0.00 H new ATOM 1830 N LYS A 122 6.749 0.138 -9.028 1.00 0.00 N ATOM 1831 CA LYS A 122 6.493 1.562 -9.218 1.00 0.00 C ATOM 1832 C LYS A 122 6.952 2.301 -7.976 1.00 0.00 C ATOM 1833 O LYS A 122 7.219 1.678 -6.952 1.00 0.00 O ATOM 1834 CB LYS A 122 4.976 1.793 -9.464 1.00 0.00 C ATOM 1835 CG LYS A 122 4.539 3.230 -9.739 1.00 0.00 C ATOM 1836 CD LYS A 122 3.035 3.342 -9.973 1.00 0.00 C ATOM 1837 CE LYS A 122 2.606 2.553 -11.195 1.00 0.00 C ATOM 1838 NZ LYS A 122 1.174 2.728 -11.519 1.00 0.00 N ATOM 0 H LYS A 122 6.691 -0.167 -8.057 1.00 0.00 H new ATOM 0 HA LYS A 122 7.039 1.934 -10.085 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.670 1.176 -10.309 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.431 1.432 -8.592 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.822 3.861 -8.896 1.00 0.00 H new ATOM 0 HG3 LYS A 122 5.070 3.608 -10.613 1.00 0.00 H new ATOM 0 HD2 LYS A 122 2.500 2.977 -9.096 1.00 0.00 H new ATOM 0 HD3 LYS A 122 2.762 4.390 -10.100 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.207 2.862 -12.050 1.00 0.00 H new ATOM 0 HE3 LYS A 122 2.809 1.495 -11.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 0.938 2.166 -12.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 0.595 2.408 -10.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 0.981 3.732 -11.707 1.00 0.00 H new ATOM 1852 N TYR A 123 7.117 3.580 -8.075 1.00 0.00 N ATOM 1853 CA TYR A 123 7.426 4.380 -6.919 1.00 0.00 C ATOM 1854 C TYR A 123 6.346 5.431 -6.788 1.00 0.00 C ATOM 1855 O TYR A 123 5.868 5.964 -7.800 1.00 0.00 O ATOM 1856 CB TYR A 123 8.848 5.011 -6.967 1.00 0.00 C ATOM 1857 CG TYR A 123 8.976 6.264 -7.779 1.00 0.00 C ATOM 1858 CD1 TYR A 123 9.234 6.234 -9.131 1.00 0.00 C ATOM 1859 CD2 TYR A 123 8.834 7.490 -7.164 1.00 0.00 C ATOM 1860 CE1 TYR A 123 9.348 7.401 -9.848 1.00 0.00 C ATOM 1861 CE2 TYR A 123 8.939 8.647 -7.858 1.00 0.00 C ATOM 1862 CZ TYR A 123 9.195 8.614 -9.202 1.00 0.00 C ATOM 1863 OH TYR A 123 9.319 9.798 -9.895 1.00 0.00 O ATOM 0 H TYR A 123 7.044 4.103 -8.948 1.00 0.00 H new ATOM 0 HA TYR A 123 7.444 3.738 -6.038 1.00 0.00 H new ATOM 0 HB2 TYR A 123 9.164 5.227 -5.947 1.00 0.00 H new ATOM 0 HB3 TYR A 123 9.541 4.270 -7.365 1.00 0.00 H new ATOM 0 HD1 TYR A 123 9.348 5.285 -9.633 1.00 0.00 H new ATOM 0 HD2 TYR A 123 8.634 7.528 -6.103 1.00 0.00 H new ATOM 0 HE1 TYR A 123 9.555 7.371 -10.907 1.00 0.00 H new ATOM 0 HE2 TYR A 123 8.821 9.594 -7.352 1.00 0.00 H new ATOM 0 HH TYR A 123 9.179 10.551 -9.284 1.00 0.00 H new ATOM 1873 N VAL A 124 5.925 5.679 -5.587 1.00 0.00 N ATOM 1874 CA VAL A 124 4.908 6.680 -5.306 1.00 0.00 C ATOM 1875 C VAL A 124 5.373 7.476 -4.126 1.00 0.00 C ATOM 1876 O VAL A 124 6.308 7.049 -3.451 1.00 0.00 O ATOM 1877 CB VAL A 124 3.512 6.055 -4.995 1.00 0.00 C ATOM 1878 CG1 VAL A 124 2.924 5.378 -6.225 1.00 0.00 C ATOM 1879 CG2 VAL A 124 3.598 5.064 -3.837 1.00 0.00 C ATOM 0 H VAL A 124 6.272 5.196 -4.758 1.00 0.00 H new ATOM 0 HA VAL A 124 4.779 7.302 -6.192 1.00 0.00 H new ATOM 0 HB VAL A 124 2.849 6.869 -4.703 1.00 0.00 H new ATOM 0 HG11 VAL A 124 1.952 4.952 -5.976 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.806 6.112 -7.022 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.593 4.584 -6.558 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.611 4.645 -3.643 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.289 4.261 -4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 124 3.956 5.577 -2.945 1.00 0.00 H new ATOM 1889 N LEU A 125 4.761 8.607 -3.870 1.00 0.00 N ATOM 1890 CA LEU A 125 5.164 9.428 -2.743 1.00 0.00 C ATOM 1891 C LEU A 125 4.855 8.735 -1.419 1.00 0.00 C ATOM 1892 O LEU A 125 3.904 7.958 -1.332 1.00 0.00 O ATOM 1893 CB LEU A 125 4.581 10.875 -2.830 1.00 0.00 C ATOM 1894 CG LEU A 125 3.044 11.065 -2.993 1.00 0.00 C ATOM 1895 CD1 LEU A 125 2.263 10.704 -1.731 1.00 0.00 C ATOM 1896 CD2 LEU A 125 2.733 12.491 -3.414 1.00 0.00 C ATOM 0 H LEU A 125 3.987 8.982 -4.419 1.00 0.00 H new ATOM 0 HA LEU A 125 6.247 9.547 -2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.883 11.406 -1.927 1.00 0.00 H new ATOM 0 HB3 LEU A 125 5.064 11.374 -3.670 1.00 0.00 H new ATOM 0 HG LEU A 125 2.721 10.374 -3.772 1.00 0.00 H new ATOM 0 HD11 LEU A 125 1.198 10.857 -1.906 1.00 0.00 H new ATOM 0 HD12 LEU A 125 2.443 9.659 -1.478 1.00 0.00 H new ATOM 0 HD13 LEU A 125 2.590 11.338 -0.907 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.655 12.611 -3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.099 13.182 -2.655 1.00 0.00 H new ATOM 0 HD23 LEU A 125 3.221 12.704 -4.365 1.00 0.00 H new