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= 0.369 K(o=-0.3,f=-4.7!) USER MOD Set 1.2: A 42 GLN : amide:sc= -0.668 K(o=-0.3,f=0.8) USER MOD Set 2.1: A 5 LYS NZ :NH3+ -129:sc= 0.248 (180deg=0) USER MOD Set 2.2: A 25 TYR OH : rot 180:sc= 0.203 USER MOD Single : A 4 ASN : amide:sc= -2.36! C(o=-2.4!,f=-3.5!) USER MOD Single : A 7 CYS SG : rot -25:sc= 0.475 USER MOD Single : A 10 THR OG1 : rot -33:sc= 0.131 USER MOD Single : A 13 GLN : amide:sc= -3.68! C(o=-3.7!,f=-0.83!) USER MOD Single : A 16 LYS NZ :NH3+ -166:sc= 0.733 (180deg=0.622) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 34 SER OG : rot -170:sc= -0.217 USER MOD Single : A 37 CYS SG : rot 140:sc= -1.94! USER MOD Single : A 44 GLN : amide:sc= -3.76! K(o=-3.8!,f=-1.4) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -2.34! C(o=-2.3!,f=-1.5!) USER MOD Single : A 54 TYR OH : rot 40:sc= -1.85! USER MOD Single : A 60 ASN : amide:sc= -0.562 K(o=-0.56,f=-1.2) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 69 LYS NZ :NH3+ -150:sc= 1.25 (180deg=0.989) USER MOD Single : A 71 LYS NZ :NH3+ -173:sc=-0.00988 (180deg=-0.0893) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 79 GLN : amide:sc= -7.86! C(o=-7.9!,f=-10!) USER MOD Single : A 81 HIS : no HE2:sc= -0.669 K(o=-0.67,f=-1.7) USER MOD Single : A 83 ASN : amide:sc= 0.0993 K(o=0.099,f=-1.1) USER MOD Single : A 86 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 80:sc= 1.25 USER MOD Single : A 99 HIS : no HD1:sc= -1.35 K(o=-1.3,f=-0.37) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 GLN : amide:sc= -0.925 K(o=-0.92,f=-0.0043) USER MOD Single : A 119 HIS : no HD1:sc= -0.231 X(o=-0.23,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -163:sc= 1.18 (180deg=0.713) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ASN A 4 -7.778 8.960 -7.968 1.00 0.00 N ATOM 43 CA ASN A 4 -9.045 8.669 -7.341 1.00 0.00 C ATOM 44 C ASN A 4 -8.715 7.951 -6.061 1.00 0.00 C ATOM 45 O ASN A 4 -9.496 7.185 -5.519 1.00 0.00 O ATOM 46 CB ASN A 4 -9.975 7.834 -8.270 1.00 0.00 C ATOM 47 CG ASN A 4 -9.375 6.536 -8.800 1.00 0.00 C ATOM 48 OD1 ASN A 4 -8.172 6.402 -8.991 1.00 0.00 O ATOM 49 ND2 ASN A 4 -10.220 5.579 -9.074 1.00 0.00 N ATOM 0 HA ASN A 4 -9.607 9.581 -7.139 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.888 7.596 -7.723 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -10.264 8.454 -9.119 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.883 4.695 -9.456 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -11.217 5.715 -8.906 1.00 0.00 H new ATOM 56 N LYS A 5 -7.524 8.301 -5.577 1.00 0.00 N ATOM 57 CA LYS A 5 -6.888 7.785 -4.398 1.00 0.00 C ATOM 58 C LYS A 5 -7.784 7.989 -3.172 1.00 0.00 C ATOM 59 O LYS A 5 -7.848 9.086 -2.609 1.00 0.00 O ATOM 60 CB LYS A 5 -5.581 8.565 -4.217 1.00 0.00 C ATOM 61 CG LYS A 5 -4.607 7.989 -3.226 1.00 0.00 C ATOM 62 CD LYS A 5 -3.460 8.965 -2.977 1.00 0.00 C ATOM 63 CE LYS A 5 -2.360 8.360 -2.117 1.00 0.00 C ATOM 64 NZ LYS A 5 -1.527 7.376 -2.856 1.00 0.00 N ATOM 0 H LYS A 5 -6.950 9.004 -6.043 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.701 6.716 -4.501 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -5.086 8.637 -5.185 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.826 9.581 -3.908 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.118 7.772 -2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.214 7.044 -3.600 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -3.039 9.279 -3.932 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -3.847 9.860 -2.490 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -1.721 9.158 -1.738 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -2.809 7.872 -1.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -1.467 6.493 -2.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.959 7.182 -3.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -0.572 7.764 -2.994 1.00 0.00 H new ATOM 78 N VAL A 6 -8.516 6.964 -2.819 1.00 0.00 N ATOM 79 CA VAL A 6 -9.391 7.018 -1.680 1.00 0.00 C ATOM 80 C VAL A 6 -8.716 6.446 -0.424 1.00 0.00 C ATOM 81 O VAL A 6 -8.193 5.332 -0.430 1.00 0.00 O ATOM 82 CB VAL A 6 -10.761 6.307 -1.972 1.00 0.00 C ATOM 83 CG1 VAL A 6 -10.597 4.825 -2.305 1.00 0.00 C ATOM 84 CG2 VAL A 6 -11.758 6.504 -0.837 1.00 0.00 C ATOM 0 H VAL A 6 -8.521 6.071 -3.312 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.605 8.069 -1.484 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.166 6.791 -2.861 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -11.575 4.385 -2.498 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -9.970 4.718 -3.190 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -10.128 4.313 -1.465 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.691 5.996 -1.080 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -11.348 6.089 0.084 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -11.949 7.569 -0.701 1.00 0.00 H new ATOM 94 N CYS A 7 -8.684 7.254 0.596 1.00 0.00 N ATOM 95 CA CYS A 7 -8.213 6.901 1.917 1.00 0.00 C ATOM 96 C CYS A 7 -9.428 6.428 2.702 1.00 0.00 C ATOM 97 O CYS A 7 -10.536 6.545 2.173 1.00 0.00 O ATOM 98 CB CYS A 7 -7.528 8.100 2.556 1.00 0.00 C ATOM 99 SG CYS A 7 -6.098 8.664 1.599 1.00 0.00 S ATOM 0 H CYS A 7 -8.998 8.222 0.533 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.469 6.105 1.892 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -8.244 8.917 2.651 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -7.207 7.838 3.564 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.623 7.673 0.904 1.00 0.00 H new ATOM 105 N GLY A 8 -9.245 5.854 3.910 1.00 0.00 N ATOM 106 CA GLY A 8 -10.345 5.233 4.620 1.00 0.00 C ATOM 107 C GLY A 8 -11.620 6.042 4.658 1.00 0.00 C ATOM 108 O GLY A 8 -11.606 7.267 4.869 1.00 0.00 O ATOM 0 H GLY A 8 -8.349 5.816 4.397 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.558 4.269 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.029 5.032 5.644 1.00 0.00 H new ATOM 112 N LEU A 9 -12.688 5.363 4.415 1.00 0.00 N ATOM 113 CA LEU A 9 -14.002 5.900 4.425 1.00 0.00 C ATOM 114 C LEU A 9 -14.836 4.706 4.846 1.00 0.00 C ATOM 115 O LEU A 9 -14.422 3.575 4.587 1.00 0.00 O ATOM 116 CB LEU A 9 -14.377 6.367 2.997 1.00 0.00 C ATOM 117 CG LEU A 9 -15.283 7.617 2.864 1.00 0.00 C ATOM 118 CD1 LEU A 9 -16.602 7.452 3.579 1.00 0.00 C ATOM 119 CD2 LEU A 9 -14.561 8.864 3.351 1.00 0.00 C ATOM 0 H LEU A 9 -12.665 4.368 4.193 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.135 6.764 5.076 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.452 6.564 2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.873 5.538 2.492 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.507 7.733 1.804 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -17.199 8.356 3.455 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -17.139 6.602 3.159 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -16.422 7.279 4.640 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -15.217 9.728 3.248 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.287 8.740 4.399 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.661 9.019 2.756 1.00 0.00 H new ATOM 131 N THR A 10 -15.966 4.904 5.461 1.00 0.00 N ATOM 132 CA THR A 10 -16.672 3.783 6.008 1.00 0.00 C ATOM 133 C THR A 10 -18.031 3.660 5.340 1.00 0.00 C ATOM 134 O THR A 10 -18.865 2.845 5.713 1.00 0.00 O ATOM 135 CB THR A 10 -16.792 3.923 7.561 1.00 0.00 C ATOM 136 OG1 THR A 10 -17.215 2.689 8.156 1.00 0.00 O ATOM 137 CG2 THR A 10 -17.757 5.043 7.954 1.00 0.00 C ATOM 0 H THR A 10 -16.411 5.812 5.595 1.00 0.00 H new ATOM 0 HA THR A 10 -16.117 2.866 5.809 1.00 0.00 H new ATOM 0 HB THR A 10 -15.801 4.178 7.936 1.00 0.00 H new ATOM 0 HG1 THR A 10 -17.821 2.221 7.544 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.814 5.110 9.040 1.00 0.00 H new ATOM 0 HG22 THR A 10 -17.399 5.990 7.551 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.747 4.828 7.551 1.00 0.00 H new ATOM 145 N ARG A 11 -18.231 4.457 4.316 1.00 0.00 N ATOM 146 CA ARG A 11 -19.467 4.438 3.618 1.00 0.00 C ATOM 147 C ARG A 11 -19.222 4.020 2.193 1.00 0.00 C ATOM 148 O ARG A 11 -18.542 4.719 1.457 1.00 0.00 O ATOM 149 CB ARG A 11 -20.181 5.793 3.668 1.00 0.00 C ATOM 150 CG ARG A 11 -20.417 6.312 5.072 1.00 0.00 C ATOM 151 CD ARG A 11 -21.278 7.560 5.078 1.00 0.00 C ATOM 152 NE ARG A 11 -20.738 8.658 4.255 1.00 0.00 N ATOM 153 CZ ARG A 11 -21.340 9.845 4.114 1.00 0.00 C ATOM 154 NH1 ARG A 11 -22.457 10.109 4.790 1.00 0.00 N ATOM 155 NH2 ARG A 11 -20.830 10.758 3.304 1.00 0.00 N ATOM 0 H ARG A 11 -17.545 5.122 3.958 1.00 0.00 H new ATOM 0 HA ARG A 11 -20.125 3.720 4.108 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.591 6.524 3.116 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -21.140 5.706 3.157 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -20.897 5.537 5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.459 6.530 5.544 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -22.275 7.305 4.718 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -21.390 7.909 6.105 1.00 0.00 H new ATOM 0 HE ARG A 11 -19.856 8.504 3.766 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -22.853 9.407 5.415 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -22.916 11.013 4.683 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -19.975 10.558 2.784 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -21.292 11.662 3.199 1.00 0.00 H new ATOM 169 N GLY A 12 -19.748 2.875 1.826 1.00 0.00 N ATOM 170 CA GLY A 12 -19.600 2.331 0.481 1.00 0.00 C ATOM 171 C GLY A 12 -20.061 3.279 -0.614 1.00 0.00 C ATOM 172 O GLY A 12 -19.402 3.425 -1.625 1.00 0.00 O ATOM 0 H GLY A 12 -20.296 2.284 2.451 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.553 2.078 0.314 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -20.167 1.403 0.409 1.00 0.00 H new ATOM 176 N GLN A 13 -21.160 3.974 -0.350 1.00 0.00 N ATOM 177 CA GLN A 13 -21.793 4.903 -1.303 1.00 0.00 C ATOM 178 C GLN A 13 -20.866 6.078 -1.547 1.00 0.00 C ATOM 179 O GLN A 13 -20.894 6.724 -2.593 1.00 0.00 O ATOM 180 CB GLN A 13 -23.124 5.487 -0.745 1.00 0.00 C ATOM 181 CG GLN A 13 -24.125 4.512 -0.096 1.00 0.00 C ATOM 182 CD GLN A 13 -23.694 4.064 1.295 1.00 0.00 C ATOM 183 OE1 GLN A 13 -23.993 4.712 2.289 1.00 0.00 O ATOM 184 NE2 GLN A 13 -23.024 2.956 1.378 1.00 0.00 N ATOM 0 H GLN A 13 -21.651 3.914 0.542 1.00 0.00 H new ATOM 0 HA GLN A 13 -21.994 4.341 -2.215 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -22.871 6.247 -0.006 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -23.635 5.995 -1.563 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -25.102 4.991 -0.032 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -24.240 3.637 -0.736 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -22.789 2.437 0.532 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -22.732 2.604 2.290 1.00 0.00 H new ATOM 193 N ASP A 14 -20.050 6.326 -0.570 1.00 0.00 N ATOM 194 CA ASP A 14 -19.146 7.442 -0.563 1.00 0.00 C ATOM 195 C ASP A 14 -17.840 7.008 -1.205 1.00 0.00 C ATOM 196 O ASP A 14 -17.376 7.609 -2.162 1.00 0.00 O ATOM 197 CB ASP A 14 -18.909 7.850 0.886 1.00 0.00 C ATOM 198 CG ASP A 14 -18.255 9.211 1.038 1.00 0.00 C ATOM 199 OD1 ASP A 14 -17.145 9.433 0.532 1.00 0.00 O ATOM 200 OD2 ASP A 14 -18.864 10.086 1.668 1.00 0.00 O ATOM 0 H ASP A 14 -19.990 5.746 0.267 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.556 8.286 -1.118 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -19.863 7.854 1.414 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.282 7.100 1.367 1.00 0.00 H new ATOM 205 N ALA A 15 -17.306 5.898 -0.705 1.00 0.00 N ATOM 206 CA ALA A 15 -16.049 5.310 -1.178 1.00 0.00 C ATOM 207 C ALA A 15 -16.111 4.988 -2.661 1.00 0.00 C ATOM 208 O ALA A 15 -15.107 5.125 -3.383 1.00 0.00 O ATOM 209 CB ALA A 15 -15.746 4.032 -0.399 1.00 0.00 C ATOM 0 H ALA A 15 -17.739 5.370 0.053 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.258 6.042 -1.016 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.811 3.601 -0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.656 4.265 0.662 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.555 3.316 -0.546 1.00 0.00 H new ATOM 215 N LYS A 16 -17.300 4.594 -3.126 1.00 0.00 N ATOM 216 CA LYS A 16 -17.499 4.220 -4.510 1.00 0.00 C ATOM 217 C LYS A 16 -17.180 5.343 -5.458 1.00 0.00 C ATOM 218 O LYS A 16 -16.922 5.083 -6.593 1.00 0.00 O ATOM 219 CB LYS A 16 -18.885 3.572 -4.792 1.00 0.00 C ATOM 220 CG LYS A 16 -20.102 4.503 -4.896 1.00 0.00 C ATOM 221 CD LYS A 16 -20.253 5.063 -6.312 1.00 0.00 C ATOM 222 CE LYS A 16 -21.485 5.928 -6.459 1.00 0.00 C ATOM 223 NZ LYS A 16 -21.732 6.301 -7.872 1.00 0.00 N ATOM 0 H LYS A 16 -18.140 4.529 -2.551 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.773 3.430 -4.704 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -18.810 3.013 -5.725 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -19.083 2.848 -4.002 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -21.005 3.958 -4.620 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.996 5.324 -4.187 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -19.369 5.648 -6.565 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -20.304 4.238 -7.023 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.352 5.395 -6.067 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -21.368 6.831 -5.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -22.428 7.073 -7.911 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -20.842 6.615 -8.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -22.100 5.477 -8.389 1.00 0.00 H new ATOM 237 N ALA A 17 -17.217 6.600 -4.978 1.00 0.00 N ATOM 238 CA ALA A 17 -16.892 7.781 -5.797 1.00 0.00 C ATOM 239 C ALA A 17 -15.534 7.625 -6.492 1.00 0.00 C ATOM 240 O ALA A 17 -15.334 8.112 -7.610 1.00 0.00 O ATOM 241 CB ALA A 17 -16.895 9.036 -4.947 1.00 0.00 C ATOM 0 H ALA A 17 -17.472 6.824 -4.016 1.00 0.00 H new ATOM 0 HA ALA A 17 -17.660 7.868 -6.565 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -16.653 9.898 -5.569 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -17.882 9.174 -4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -16.153 8.941 -4.155 1.00 0.00 H new ATOM 247 N ALA A 18 -14.635 6.903 -5.848 1.00 0.00 N ATOM 248 CA ALA A 18 -13.327 6.632 -6.393 1.00 0.00 C ATOM 249 C ALA A 18 -13.442 5.633 -7.545 1.00 0.00 C ATOM 250 O ALA A 18 -12.843 5.800 -8.600 1.00 0.00 O ATOM 251 CB ALA A 18 -12.440 6.092 -5.305 1.00 0.00 C ATOM 0 H ALA A 18 -14.797 6.489 -4.930 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.890 7.552 -6.781 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -11.450 5.885 -5.712 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -12.357 6.827 -4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.869 5.171 -4.909 1.00 0.00 H new ATOM 257 N TYR A 19 -14.243 4.616 -7.349 1.00 0.00 N ATOM 258 CA TYR A 19 -14.504 3.628 -8.376 1.00 0.00 C ATOM 259 C TYR A 19 -15.328 4.259 -9.487 1.00 0.00 C ATOM 260 O TYR A 19 -15.132 3.979 -10.652 1.00 0.00 O ATOM 261 CB TYR A 19 -15.184 2.391 -7.755 1.00 0.00 C ATOM 262 CG TYR A 19 -16.249 1.735 -8.605 1.00 0.00 C ATOM 263 CD1 TYR A 19 -15.919 0.863 -9.629 1.00 0.00 C ATOM 264 CD2 TYR A 19 -17.589 2.011 -8.383 1.00 0.00 C ATOM 265 CE1 TYR A 19 -16.900 0.280 -10.410 1.00 0.00 C ATOM 266 CE2 TYR A 19 -18.571 1.438 -9.153 1.00 0.00 C ATOM 267 CZ TYR A 19 -18.227 0.573 -10.166 1.00 0.00 C ATOM 268 OH TYR A 19 -19.211 0.000 -10.938 1.00 0.00 O ATOM 0 H TYR A 19 -14.736 4.446 -6.472 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.569 3.285 -8.819 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.416 1.651 -7.531 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.632 2.683 -6.805 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.881 0.635 -9.820 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.866 2.689 -7.590 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.630 -0.399 -11.205 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.610 1.666 -8.964 1.00 0.00 H new ATOM 0 HH TYR A 19 -20.089 0.311 -10.633 1.00 0.00 H new ATOM 278 N ASP A 20 -16.176 5.156 -9.092 1.00 0.00 N ATOM 279 CA ASP A 20 -17.047 5.938 -9.971 1.00 0.00 C ATOM 280 C ASP A 20 -16.199 6.791 -10.929 1.00 0.00 C ATOM 281 O ASP A 20 -16.632 7.154 -12.008 1.00 0.00 O ATOM 282 CB ASP A 20 -17.922 6.827 -9.076 1.00 0.00 C ATOM 283 CG ASP A 20 -18.922 7.684 -9.788 1.00 0.00 C ATOM 284 OD1 ASP A 20 -18.597 8.844 -10.116 1.00 0.00 O ATOM 285 OD2 ASP A 20 -20.074 7.243 -9.959 1.00 0.00 O ATOM 0 H ASP A 20 -16.300 5.388 -8.107 1.00 0.00 H new ATOM 0 HA ASP A 20 -17.674 5.286 -10.580 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -18.455 6.188 -8.372 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -17.270 7.474 -8.489 1.00 0.00 H new ATOM 290 N ALA A 21 -14.965 7.064 -10.518 1.00 0.00 N ATOM 291 CA ALA A 21 -14.026 7.832 -11.317 1.00 0.00 C ATOM 292 C ALA A 21 -13.386 6.983 -12.423 1.00 0.00 C ATOM 293 O ALA A 21 -12.740 7.522 -13.321 1.00 0.00 O ATOM 294 CB ALA A 21 -12.954 8.435 -10.433 1.00 0.00 C ATOM 0 H ALA A 21 -14.591 6.757 -9.620 1.00 0.00 H new ATOM 0 HA ALA A 21 -14.586 8.633 -11.800 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -12.257 9.008 -11.045 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.417 9.093 -9.698 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.416 7.639 -9.919 1.00 0.00 H new ATOM 300 N GLY A 22 -13.526 5.661 -12.341 1.00 0.00 N ATOM 301 CA GLY A 22 -12.993 4.817 -13.395 1.00 0.00 C ATOM 302 C GLY A 22 -12.466 3.492 -12.898 1.00 0.00 C ATOM 303 O GLY A 22 -11.789 2.784 -13.633 1.00 0.00 O ATOM 0 H GLY A 22 -13.990 5.168 -11.578 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -13.774 4.634 -14.133 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.191 5.350 -13.905 1.00 0.00 H new ATOM 307 N ALA A 23 -12.748 3.174 -11.617 1.00 0.00 N ATOM 308 CA ALA A 23 -12.318 1.906 -10.956 1.00 0.00 C ATOM 309 C ALA A 23 -10.799 1.771 -10.941 1.00 0.00 C ATOM 310 O ALA A 23 -10.256 0.691 -10.685 1.00 0.00 O ATOM 311 CB ALA A 23 -12.956 0.696 -11.639 1.00 0.00 C ATOM 0 H ALA A 23 -13.283 3.787 -11.002 1.00 0.00 H new ATOM 0 HA ALA A 23 -12.660 1.942 -9.922 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.629 -0.217 -11.141 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -14.041 0.774 -11.578 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.653 0.667 -12.686 1.00 0.00 H new ATOM 317 N ILE A 24 -10.150 2.910 -11.120 1.00 0.00 N ATOM 318 CA ILE A 24 -8.720 3.008 -11.319 1.00 0.00 C ATOM 319 C ILE A 24 -7.918 2.406 -10.184 1.00 0.00 C ATOM 320 O ILE A 24 -7.289 1.376 -10.367 1.00 0.00 O ATOM 321 CB ILE A 24 -8.288 4.479 -11.554 1.00 0.00 C ATOM 322 CG1 ILE A 24 -9.167 5.131 -12.645 1.00 0.00 C ATOM 323 CG2 ILE A 24 -6.816 4.537 -11.954 1.00 0.00 C ATOM 324 CD1 ILE A 24 -8.866 6.600 -12.892 1.00 0.00 C ATOM 0 H ILE A 24 -10.620 3.815 -11.131 1.00 0.00 H new ATOM 0 HA ILE A 24 -8.501 2.422 -12.211 1.00 0.00 H new ATOM 0 HB ILE A 24 -8.421 5.034 -10.626 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -9.035 4.583 -13.578 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -10.214 5.029 -12.361 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -6.524 5.574 -12.116 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -6.206 4.108 -11.159 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -6.666 3.970 -12.873 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -9.526 6.981 -13.671 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -9.027 7.164 -11.973 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -7.829 6.711 -13.209 1.00 0.00 H new ATOM 336 N TYR A 25 -7.980 3.020 -9.029 1.00 0.00 N ATOM 337 CA TYR A 25 -7.206 2.603 -7.875 1.00 0.00 C ATOM 338 C TYR A 25 -7.618 3.429 -6.658 1.00 0.00 C ATOM 339 O TYR A 25 -8.197 4.490 -6.803 1.00 0.00 O ATOM 340 CB TYR A 25 -5.682 2.731 -8.203 1.00 0.00 C ATOM 341 CG TYR A 25 -4.954 3.835 -7.559 1.00 0.00 C ATOM 342 CD1 TYR A 25 -4.426 3.651 -6.317 1.00 0.00 C ATOM 343 CD2 TYR A 25 -4.777 5.048 -8.186 1.00 0.00 C ATOM 344 CE1 TYR A 25 -3.741 4.623 -5.696 1.00 0.00 C ATOM 345 CE2 TYR A 25 -4.087 6.051 -7.567 1.00 0.00 C ATOM 346 CZ TYR A 25 -3.565 5.834 -6.310 1.00 0.00 C ATOM 347 OH TYR A 25 -2.831 6.813 -5.685 1.00 0.00 O ATOM 0 H TYR A 25 -8.573 3.832 -8.856 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.402 1.558 -7.636 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.195 1.796 -7.925 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -5.575 2.838 -9.282 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -4.562 2.701 -5.821 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -5.186 5.207 -9.173 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -3.329 4.450 -4.713 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.952 7.004 -8.057 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.800 7.611 -6.253 1.00 0.00 H new ATOM 357 N GLY A 26 -7.374 2.914 -5.490 1.00 0.00 N ATOM 358 CA GLY A 26 -7.642 3.618 -4.280 1.00 0.00 C ATOM 359 C GLY A 26 -6.434 3.517 -3.404 1.00 0.00 C ATOM 360 O GLY A 26 -5.818 2.458 -3.341 1.00 0.00 O ATOM 0 H GLY A 26 -6.979 1.983 -5.353 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.873 4.662 -4.491 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.512 3.194 -3.778 1.00 0.00 H new ATOM 364 N GLY A 27 -6.102 4.579 -2.720 1.00 0.00 N ATOM 365 CA GLY A 27 -4.861 4.635 -1.995 1.00 0.00 C ATOM 366 C GLY A 27 -5.110 4.805 -0.555 1.00 0.00 C ATOM 367 O GLY A 27 -5.224 5.936 -0.051 1.00 0.00 O ATOM 0 H GLY A 27 -6.676 5.420 -2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.292 3.721 -2.166 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.254 5.462 -2.365 1.00 0.00 H new ATOM 371 N LEU A 28 -5.203 3.715 0.099 1.00 0.00 N ATOM 372 CA LEU A 28 -5.546 3.665 1.456 1.00 0.00 C ATOM 373 C LEU A 28 -4.450 2.975 2.217 1.00 0.00 C ATOM 374 O LEU A 28 -3.661 2.226 1.647 1.00 0.00 O ATOM 375 CB LEU A 28 -6.903 2.953 1.561 1.00 0.00 C ATOM 376 CG LEU A 28 -7.029 1.661 0.732 1.00 0.00 C ATOM 377 CD1 LEU A 28 -6.387 0.473 1.402 1.00 0.00 C ATOM 378 CD2 LEU A 28 -8.450 1.391 0.307 1.00 0.00 C ATOM 0 H LEU A 28 -5.035 2.798 -0.316 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.648 4.657 1.896 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.090 2.714 2.608 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.684 3.645 1.247 1.00 0.00 H new ATOM 0 HG LEU A 28 -6.461 1.829 -0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.507 -0.409 0.772 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -5.326 0.670 1.553 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.864 0.298 2.366 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.487 0.470 -0.275 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.081 1.288 1.190 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -8.811 2.219 -0.302 1.00 0.00 H new ATOM 390 N ILE A 29 -4.362 3.254 3.459 1.00 0.00 N ATOM 391 CA ILE A 29 -3.350 2.640 4.264 1.00 0.00 C ATOM 392 C ILE A 29 -3.873 1.793 5.338 1.00 0.00 C ATOM 393 O ILE A 29 -4.961 2.038 5.856 1.00 0.00 O ATOM 394 CB ILE A 29 -2.286 3.595 4.769 1.00 0.00 C ATOM 395 CG1 ILE A 29 -2.869 4.954 5.186 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.259 3.711 3.715 1.00 0.00 C ATOM 397 CD1 ILE A 29 -1.844 5.927 5.739 1.00 0.00 C ATOM 0 H ILE A 29 -4.974 3.903 3.953 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.847 1.973 3.564 1.00 0.00 H new ATOM 0 HB ILE A 29 -1.833 3.204 5.680 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.356 5.408 4.323 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.641 4.790 5.938 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.475 4.393 4.045 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -0.828 2.730 3.518 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.715 4.097 2.803 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.337 6.861 6.009 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.373 5.496 6.623 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.084 6.124 4.983 1.00 0.00 H new ATOM 409 N PHE A 30 -3.087 0.812 5.698 1.00 0.00 N ATOM 410 CA PHE A 30 -3.513 -0.161 6.703 1.00 0.00 C ATOM 411 C PHE A 30 -3.240 0.380 8.087 1.00 0.00 C ATOM 412 O PHE A 30 -2.217 0.079 8.681 1.00 0.00 O ATOM 413 CB PHE A 30 -2.805 -1.534 6.580 1.00 0.00 C ATOM 414 CG PHE A 30 -2.844 -2.196 5.233 1.00 0.00 C ATOM 415 CD1 PHE A 30 -3.866 -3.085 4.871 1.00 0.00 C ATOM 416 CD2 PHE A 30 -1.832 -1.955 4.335 1.00 0.00 C ATOM 417 CE1 PHE A 30 -3.850 -3.692 3.617 1.00 0.00 C ATOM 418 CE2 PHE A 30 -1.815 -2.549 3.115 1.00 0.00 C ATOM 419 CZ PHE A 30 -2.811 -3.408 2.748 1.00 0.00 C ATOM 0 H PHE A 30 -2.152 0.655 5.321 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.578 -0.319 6.532 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.761 -1.405 6.865 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.252 -2.213 7.306 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.666 -3.299 5.564 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -1.034 -1.279 4.606 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.636 -4.374 3.328 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -1.007 -2.341 2.429 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.788 -3.869 1.772 1.00 0.00 H new ATOM 429 N VAL A 31 -4.081 1.247 8.561 1.00 0.00 N ATOM 430 CA VAL A 31 -3.941 1.713 9.905 1.00 0.00 C ATOM 431 C VAL A 31 -5.076 1.142 10.702 1.00 0.00 C ATOM 432 O VAL A 31 -6.256 1.394 10.390 1.00 0.00 O ATOM 433 CB VAL A 31 -3.881 3.254 10.035 1.00 0.00 C ATOM 434 CG1 VAL A 31 -3.685 3.642 11.491 1.00 0.00 C ATOM 435 CG2 VAL A 31 -2.743 3.813 9.191 1.00 0.00 C ATOM 0 H VAL A 31 -4.865 1.643 8.042 1.00 0.00 H new ATOM 0 HA VAL A 31 -2.979 1.372 10.288 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.821 3.673 9.676 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.644 4.728 11.576 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.518 3.263 12.084 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.753 3.214 11.859 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.714 4.898 9.293 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.797 3.391 9.530 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.903 3.551 8.145 1.00 0.00 H new ATOM 445 N ALA A 32 -4.711 0.364 11.703 1.00 0.00 N ATOM 446 CA ALA A 32 -5.617 -0.420 12.511 1.00 0.00 C ATOM 447 C ALA A 32 -6.785 0.378 13.056 1.00 0.00 C ATOM 448 O ALA A 32 -6.640 1.214 13.958 1.00 0.00 O ATOM 449 CB ALA A 32 -4.868 -1.122 13.629 1.00 0.00 C ATOM 0 H ALA A 32 -3.736 0.259 11.984 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.049 -1.169 11.848 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -5.569 -1.707 14.225 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -4.114 -1.784 13.202 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.383 -0.380 14.263 1.00 0.00 H new ATOM 455 N THR A 33 -7.922 0.163 12.427 1.00 0.00 N ATOM 456 CA THR A 33 -9.225 0.687 12.823 1.00 0.00 C ATOM 457 C THR A 33 -9.279 2.214 12.870 1.00 0.00 C ATOM 458 O THR A 33 -10.065 2.798 13.613 1.00 0.00 O ATOM 459 CB THR A 33 -9.740 0.049 14.156 1.00 0.00 C ATOM 460 OG1 THR A 33 -8.835 0.288 15.257 1.00 0.00 O ATOM 461 CG2 THR A 33 -9.917 -1.454 13.979 1.00 0.00 C ATOM 0 H THR A 33 -7.971 -0.409 11.584 1.00 0.00 H new ATOM 0 HA THR A 33 -9.910 0.386 12.031 1.00 0.00 H new ATOM 0 HB THR A 33 -10.695 0.519 14.390 1.00 0.00 H new ATOM 0 HG1 THR A 33 -9.193 -0.125 16.070 1.00 0.00 H new ATOM 0 HG21 THR A 33 -10.276 -1.890 14.911 1.00 0.00 H new ATOM 0 HG22 THR A 33 -10.641 -1.644 13.187 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.961 -1.904 13.712 1.00 0.00 H new ATOM 469 N SER A 34 -8.481 2.853 12.048 1.00 0.00 N ATOM 470 CA SER A 34 -8.499 4.263 11.965 1.00 0.00 C ATOM 471 C SER A 34 -9.152 4.593 10.666 1.00 0.00 C ATOM 472 O SER A 34 -8.542 4.433 9.638 1.00 0.00 O ATOM 473 CB SER A 34 -7.077 4.788 12.052 1.00 0.00 C ATOM 474 OG SER A 34 -6.437 4.227 13.193 1.00 0.00 O ATOM 0 H SER A 34 -7.811 2.398 11.428 1.00 0.00 H new ATOM 0 HA SER A 34 -9.051 4.729 12.781 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.526 4.529 11.148 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.082 5.876 12.122 1.00 0.00 H new ATOM 0 HG SER A 34 -5.581 4.679 13.343 1.00 0.00 H new ATOM 480 N PRO A 35 -10.431 5.035 10.698 1.00 0.00 N ATOM 481 CA PRO A 35 -11.263 5.226 9.495 1.00 0.00 C ATOM 482 C PRO A 35 -10.766 6.295 8.531 1.00 0.00 C ATOM 483 O PRO A 35 -11.420 6.588 7.568 1.00 0.00 O ATOM 484 CB PRO A 35 -12.646 5.580 10.042 1.00 0.00 C ATOM 485 CG PRO A 35 -12.393 6.100 11.406 1.00 0.00 C ATOM 486 CD PRO A 35 -11.182 5.380 11.923 1.00 0.00 C ATOM 0 HA PRO A 35 -11.247 4.321 8.887 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -13.138 6.327 9.419 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.297 4.706 10.066 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -12.224 7.177 11.385 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -13.253 5.925 12.053 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.594 6.012 12.589 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.456 4.490 12.489 1.00 0.00 H new ATOM 494 N ARG A 36 -9.621 6.883 8.811 1.00 0.00 N ATOM 495 CA ARG A 36 -8.974 7.789 7.867 1.00 0.00 C ATOM 496 C ARG A 36 -8.157 6.942 6.892 1.00 0.00 C ATOM 497 O ARG A 36 -7.645 7.413 5.880 1.00 0.00 O ATOM 498 CB ARG A 36 -8.030 8.760 8.578 1.00 0.00 C ATOM 499 CG ARG A 36 -8.686 9.752 9.523 1.00 0.00 C ATOM 500 CD ARG A 36 -7.630 10.676 10.100 1.00 0.00 C ATOM 501 NE ARG A 36 -8.180 11.730 10.954 1.00 0.00 N ATOM 502 CZ ARG A 36 -7.497 12.814 11.347 1.00 0.00 C ATOM 503 NH1 ARG A 36 -6.223 12.969 10.987 1.00 0.00 N ATOM 504 NH2 ARG A 36 -8.087 13.730 12.104 1.00 0.00 N ATOM 0 H ARG A 36 -9.113 6.753 9.686 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.739 8.372 7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.300 8.179 9.142 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.478 9.319 7.822 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.441 10.332 8.992 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.198 9.222 10.326 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.918 10.086 10.677 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -7.074 11.135 9.282 1.00 0.00 H new ATOM 0 HE ARG A 36 -9.145 11.633 11.270 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -5.766 12.262 10.411 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -5.705 13.795 11.287 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.060 13.609 12.386 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.568 14.555 12.404 1.00 0.00 H new ATOM 518 N CYS A 37 -8.033 5.688 7.227 1.00 0.00 N ATOM 519 CA CYS A 37 -7.290 4.728 6.507 1.00 0.00 C ATOM 520 C CYS A 37 -8.145 3.473 6.513 1.00 0.00 C ATOM 521 O CYS A 37 -9.180 3.461 7.175 1.00 0.00 O ATOM 522 CB CYS A 37 -5.996 4.503 7.266 1.00 0.00 C ATOM 523 SG CYS A 37 -5.091 6.035 7.620 1.00 0.00 S ATOM 0 H CYS A 37 -8.478 5.301 8.059 1.00 0.00 H new ATOM 0 HA CYS A 37 -7.052 5.025 5.486 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.218 3.996 8.205 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.356 3.837 6.688 1.00 0.00 H new ATOM 0 HG CYS A 37 -4.594 5.978 8.820 1.00 0.00 H new ATOM 529 N VAL A 38 -7.789 2.457 5.792 1.00 0.00 N ATOM 530 CA VAL A 38 -8.575 1.281 5.828 1.00 0.00 C ATOM 531 C VAL A 38 -7.696 0.058 5.879 1.00 0.00 C ATOM 532 O VAL A 38 -6.712 -0.055 5.167 1.00 0.00 O ATOM 533 CB VAL A 38 -9.618 1.252 4.635 1.00 0.00 C ATOM 534 CG1 VAL A 38 -9.790 -0.122 4.043 1.00 0.00 C ATOM 535 CG2 VAL A 38 -10.980 1.739 5.118 1.00 0.00 C ATOM 0 H VAL A 38 -6.972 2.424 5.183 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.166 1.279 6.744 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.219 1.909 3.862 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.516 -0.080 3.231 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -8.833 -0.474 3.657 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.145 -0.808 4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.689 1.715 4.291 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.335 1.091 5.919 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.891 2.760 5.490 1.00 0.00 H new ATOM 545 N ASN A 39 -8.085 -0.835 6.722 1.00 0.00 N ATOM 546 CA ASN A 39 -7.429 -2.097 6.895 1.00 0.00 C ATOM 547 C ASN A 39 -8.280 -3.128 6.297 1.00 0.00 C ATOM 548 O ASN A 39 -9.468 -2.851 6.044 1.00 0.00 O ATOM 549 CB ASN A 39 -7.070 -2.381 8.373 1.00 0.00 C ATOM 550 CG ASN A 39 -8.170 -2.072 9.341 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.304 -0.953 9.810 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.903 -3.035 9.706 1.00 0.00 N ATOM 0 H ASN A 39 -8.893 -0.709 7.332 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.465 -2.089 6.386 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.797 -3.431 8.474 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -6.190 -1.796 8.641 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.628 -2.887 10.408 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.770 -3.960 9.298 1.00 0.00 H new ATOM 559 N VAL A 40 -7.712 -4.300 6.065 1.00 0.00 N ATOM 560 CA VAL A 40 -8.362 -5.398 5.369 1.00 0.00 C ATOM 561 C VAL A 40 -9.801 -5.627 5.867 1.00 0.00 C ATOM 562 O VAL A 40 -10.695 -5.837 5.065 1.00 0.00 O ATOM 563 CB VAL A 40 -7.499 -6.709 5.462 1.00 0.00 C ATOM 564 CG1 VAL A 40 -7.402 -7.253 6.866 1.00 0.00 C ATOM 565 CG2 VAL A 40 -7.949 -7.782 4.494 1.00 0.00 C ATOM 0 H VAL A 40 -6.762 -4.520 6.363 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.437 -5.121 4.318 1.00 0.00 H new ATOM 0 HB VAL A 40 -6.495 -6.406 5.164 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -6.794 -8.158 6.864 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -6.942 -6.507 7.514 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.400 -7.488 7.235 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -7.315 -8.662 4.606 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -8.984 -8.051 4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.872 -7.407 3.474 1.00 0.00 H new ATOM 575 N GLU A 41 -10.023 -5.425 7.163 1.00 0.00 N ATOM 576 CA GLU A 41 -11.293 -5.664 7.774 1.00 0.00 C ATOM 577 C GLU A 41 -12.392 -4.696 7.293 1.00 0.00 C ATOM 578 O GLU A 41 -13.541 -5.098 7.132 1.00 0.00 O ATOM 579 CB GLU A 41 -11.150 -5.620 9.261 1.00 0.00 C ATOM 580 CG GLU A 41 -10.257 -6.701 9.830 1.00 0.00 C ATOM 581 CD GLU A 41 -8.865 -6.206 10.133 1.00 0.00 C ATOM 582 OE1 GLU A 41 -8.255 -5.524 9.282 1.00 0.00 O ATOM 583 OE2 GLU A 41 -8.355 -6.483 11.236 1.00 0.00 O ATOM 0 H GLU A 41 -9.310 -5.088 7.809 1.00 0.00 H new ATOM 0 HA GLU A 41 -11.620 -6.657 7.466 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -10.752 -4.647 9.548 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.138 -5.706 9.713 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -10.705 -7.094 10.743 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.198 -7.528 9.122 1.00 0.00 H new ATOM 590 N GLN A 42 -12.067 -3.423 7.090 1.00 0.00 N ATOM 591 CA GLN A 42 -13.045 -2.514 6.507 1.00 0.00 C ATOM 592 C GLN A 42 -13.066 -2.696 5.012 1.00 0.00 C ATOM 593 O GLN A 42 -14.104 -2.635 4.376 1.00 0.00 O ATOM 594 CB GLN A 42 -12.667 -1.096 6.817 1.00 0.00 C ATOM 595 CG GLN A 42 -12.740 -0.757 8.268 1.00 0.00 C ATOM 596 CD GLN A 42 -11.882 0.380 8.574 1.00 0.00 C ATOM 597 OE1 GLN A 42 -12.287 1.536 8.537 1.00 0.00 O ATOM 598 NE2 GLN A 42 -10.680 0.065 8.870 1.00 0.00 N ATOM 0 H GLN A 42 -11.162 -3.008 7.313 1.00 0.00 H new ATOM 0 HA GLN A 42 -14.028 -2.731 6.924 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.653 -0.914 6.462 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.324 -0.425 6.263 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -13.770 -0.526 8.541 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -12.437 -1.618 8.864 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.399 -0.915 8.885 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -10.002 0.794 9.091 1.00 0.00 H new ATOM 607 N ALA A 43 -11.905 -2.972 4.468 1.00 0.00 N ATOM 608 CA ALA A 43 -11.715 -3.081 3.041 1.00 0.00 C ATOM 609 C ALA A 43 -12.529 -4.210 2.415 1.00 0.00 C ATOM 610 O ALA A 43 -12.960 -4.093 1.278 1.00 0.00 O ATOM 611 CB ALA A 43 -10.250 -3.221 2.723 1.00 0.00 C ATOM 0 H ALA A 43 -11.055 -3.129 5.010 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.090 -2.160 2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.118 -3.302 1.644 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -9.713 -2.346 3.089 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.857 -4.116 3.205 1.00 0.00 H new ATOM 617 N GLN A 44 -12.742 -5.304 3.145 1.00 0.00 N ATOM 618 CA GLN A 44 -13.532 -6.364 2.660 1.00 0.00 C ATOM 619 C GLN A 44 -14.981 -5.978 2.406 1.00 0.00 C ATOM 620 O GLN A 44 -15.635 -6.501 1.512 1.00 0.00 O ATOM 621 CB GLN A 44 -13.400 -7.552 3.523 1.00 0.00 C ATOM 622 CG GLN A 44 -13.380 -7.382 5.002 1.00 0.00 C ATOM 623 CD GLN A 44 -12.410 -8.386 5.591 1.00 0.00 C ATOM 624 OE1 GLN A 44 -12.587 -8.876 6.699 1.00 0.00 O ATOM 625 NE2 GLN A 44 -11.334 -8.662 4.860 1.00 0.00 N ATOM 0 H GLN A 44 -12.361 -5.452 4.080 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.142 -6.623 1.676 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -14.223 -8.224 3.282 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.479 -8.061 3.240 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.079 -6.367 5.262 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.378 -7.534 5.414 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.219 -8.236 3.941 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.624 -9.300 5.219 1.00 0.00 H new ATOM 634 N GLU A 45 -15.458 -5.056 3.183 1.00 0.00 N ATOM 635 CA GLU A 45 -16.781 -4.473 2.988 1.00 0.00 C ATOM 636 C GLU A 45 -16.748 -3.594 1.739 1.00 0.00 C ATOM 637 O GLU A 45 -17.607 -3.680 0.850 1.00 0.00 O ATOM 638 CB GLU A 45 -17.120 -3.567 4.160 1.00 0.00 C ATOM 639 CG GLU A 45 -17.057 -4.229 5.522 1.00 0.00 C ATOM 640 CD GLU A 45 -17.969 -5.418 5.635 1.00 0.00 C ATOM 641 OE1 GLU A 45 -19.192 -5.260 5.469 1.00 0.00 O ATOM 642 OE2 GLU A 45 -17.483 -6.538 5.920 1.00 0.00 O ATOM 0 H GLU A 45 -14.950 -4.673 3.980 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.514 -5.275 2.897 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.436 -2.719 4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.124 -3.168 4.013 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -16.032 -4.543 5.721 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -17.322 -3.500 6.288 1.00 0.00 H new ATOM 649 N VAL A 46 -15.713 -2.773 1.684 1.00 0.00 N ATOM 650 CA VAL A 46 -15.519 -1.777 0.638 1.00 0.00 C ATOM 651 C VAL A 46 -15.307 -2.429 -0.741 1.00 0.00 C ATOM 652 O VAL A 46 -15.718 -1.883 -1.762 1.00 0.00 O ATOM 653 CB VAL A 46 -14.314 -0.842 0.980 1.00 0.00 C ATOM 654 CG1 VAL A 46 -14.169 0.265 -0.035 1.00 0.00 C ATOM 655 CG2 VAL A 46 -14.460 -0.244 2.370 1.00 0.00 C ATOM 0 H VAL A 46 -14.967 -2.779 2.379 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.430 -1.180 0.590 1.00 0.00 H new ATOM 0 HB VAL A 46 -13.415 -1.458 0.953 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.322 0.896 0.233 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.002 -0.166 -1.022 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.078 0.866 -0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.607 0.402 2.580 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.379 0.341 2.420 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.499 -1.045 3.108 1.00 0.00 H new ATOM 665 N MET A 47 -14.722 -3.620 -0.760 1.00 0.00 N ATOM 666 CA MET A 47 -14.441 -4.332 -2.020 1.00 0.00 C ATOM 667 C MET A 47 -15.730 -4.765 -2.727 1.00 0.00 C ATOM 668 O MET A 47 -15.734 -5.072 -3.929 1.00 0.00 O ATOM 669 CB MET A 47 -13.497 -5.542 -1.810 1.00 0.00 C ATOM 670 CG MET A 47 -14.126 -6.742 -1.133 1.00 0.00 C ATOM 671 SD MET A 47 -12.963 -8.104 -0.880 1.00 0.00 S ATOM 672 CE MET A 47 -14.087 -9.360 -0.251 1.00 0.00 C ATOM 0 H MET A 47 -14.429 -4.121 0.079 1.00 0.00 H new ATOM 0 HA MET A 47 -13.925 -3.622 -2.666 1.00 0.00 H new ATOM 0 HB2 MET A 47 -13.111 -5.854 -2.781 1.00 0.00 H new ATOM 0 HB3 MET A 47 -12.643 -5.217 -1.217 1.00 0.00 H new ATOM 0 HG2 MET A 47 -14.533 -6.436 -0.169 1.00 0.00 H new ATOM 0 HG3 MET A 47 -14.963 -7.094 -1.736 1.00 0.00 H new ATOM 0 HE1 MET A 47 -13.531 -10.274 -0.041 1.00 0.00 H new ATOM 0 HE2 MET A 47 -14.556 -9.002 0.665 1.00 0.00 H new ATOM 0 HE3 MET A 47 -14.856 -9.566 -0.996 1.00 0.00 H new ATOM 682 N ALA A 48 -16.816 -4.778 -1.982 1.00 0.00 N ATOM 683 CA ALA A 48 -18.110 -5.127 -2.519 1.00 0.00 C ATOM 684 C ALA A 48 -18.824 -3.873 -3.017 1.00 0.00 C ATOM 685 O ALA A 48 -19.754 -3.944 -3.813 1.00 0.00 O ATOM 686 CB ALA A 48 -18.942 -5.822 -1.454 1.00 0.00 C ATOM 0 H ALA A 48 -16.824 -4.547 -0.989 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.976 -5.809 -3.359 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.917 -6.082 -1.866 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -18.432 -6.729 -1.128 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.075 -5.154 -0.603 1.00 0.00 H new ATOM 692 N ALA A 49 -18.361 -2.730 -2.566 1.00 0.00 N ATOM 693 CA ALA A 49 -18.991 -1.474 -2.902 1.00 0.00 C ATOM 694 C ALA A 49 -18.265 -0.780 -4.043 1.00 0.00 C ATOM 695 O ALA A 49 -18.892 -0.279 -4.979 1.00 0.00 O ATOM 696 CB ALA A 49 -19.054 -0.573 -1.680 1.00 0.00 C ATOM 0 H ALA A 49 -17.544 -2.644 -1.961 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.007 -1.684 -3.235 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.531 0.370 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.632 -1.063 -0.896 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.044 -0.379 -1.318 1.00 0.00 H new ATOM 702 N ALA A 50 -16.943 -0.773 -3.997 1.00 0.00 N ATOM 703 CA ALA A 50 -16.189 -0.123 -4.962 1.00 0.00 C ATOM 704 C ALA A 50 -15.174 -1.095 -5.505 1.00 0.00 C ATOM 705 O ALA A 50 -14.116 -1.308 -4.892 1.00 0.00 O ATOM 706 CB ALA A 50 -15.519 1.085 -4.346 1.00 0.00 C ATOM 0 H ALA A 50 -16.394 -1.232 -3.270 1.00 0.00 H new ATOM 0 HA ALA A 50 -16.820 0.224 -5.780 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -14.926 1.598 -5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.278 1.764 -3.959 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -14.869 0.765 -3.531 1.00 0.00 H new ATOM 712 N PRO A 51 -15.501 -1.779 -6.607 1.00 0.00 N ATOM 713 CA PRO A 51 -14.581 -2.706 -7.254 1.00 0.00 C ATOM 714 C PRO A 51 -13.443 -1.970 -7.990 1.00 0.00 C ATOM 715 O PRO A 51 -13.257 -2.091 -9.200 1.00 0.00 O ATOM 716 CB PRO A 51 -15.461 -3.501 -8.217 1.00 0.00 C ATOM 717 CG PRO A 51 -16.651 -2.647 -8.471 1.00 0.00 C ATOM 718 CD PRO A 51 -16.820 -1.752 -7.275 1.00 0.00 C ATOM 0 HA PRO A 51 -14.073 -3.348 -6.535 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.930 -3.719 -9.144 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.751 -4.458 -7.783 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.514 -2.057 -9.377 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.540 -3.260 -8.621 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -17.095 -0.740 -7.572 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.607 -2.115 -6.615 1.00 0.00 H new ATOM 726 N LEU A 52 -12.737 -1.174 -7.240 1.00 0.00 N ATOM 727 CA LEU A 52 -11.572 -0.468 -7.710 1.00 0.00 C ATOM 728 C LEU A 52 -10.305 -1.257 -7.329 1.00 0.00 C ATOM 729 O LEU A 52 -10.403 -2.346 -6.756 1.00 0.00 O ATOM 730 CB LEU A 52 -11.580 0.994 -7.151 1.00 0.00 C ATOM 731 CG LEU A 52 -12.055 1.176 -5.677 1.00 0.00 C ATOM 732 CD1 LEU A 52 -11.019 0.758 -4.670 1.00 0.00 C ATOM 733 CD2 LEU A 52 -12.538 2.579 -5.392 1.00 0.00 C ATOM 0 H LEU A 52 -12.958 -0.991 -6.261 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.582 -0.388 -8.797 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.571 1.396 -7.236 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.220 1.600 -7.792 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.905 0.502 -5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.409 0.908 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.778 -0.295 -4.812 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.119 1.358 -4.804 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.857 2.650 -4.352 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.728 3.286 -5.572 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -13.378 2.814 -6.046 1.00 0.00 H new ATOM 745 N GLN A 53 -9.155 -0.756 -7.698 1.00 0.00 N ATOM 746 CA GLN A 53 -7.886 -1.355 -7.335 1.00 0.00 C ATOM 747 C GLN A 53 -7.492 -0.901 -5.938 1.00 0.00 C ATOM 748 O GLN A 53 -7.738 0.238 -5.572 1.00 0.00 O ATOM 749 CB GLN A 53 -6.830 -0.956 -8.370 1.00 0.00 C ATOM 750 CG GLN A 53 -5.470 -0.759 -7.784 1.00 0.00 C ATOM 751 CD GLN A 53 -4.410 -0.344 -8.775 1.00 0.00 C ATOM 752 OE1 GLN A 53 -4.688 0.230 -9.815 1.00 0.00 O ATOM 753 NE2 GLN A 53 -3.195 -0.505 -8.401 1.00 0.00 N ATOM 0 H GLN A 53 -9.066 0.087 -8.265 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.968 -2.442 -7.326 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -6.778 -1.726 -9.140 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -7.143 -0.035 -8.861 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.533 -0.003 -7.002 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.157 -1.687 -7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -2.990 -0.989 -7.527 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.433 -0.149 -8.978 1.00 0.00 H new ATOM 762 N TYR A 54 -6.893 -1.770 -5.170 1.00 0.00 N ATOM 763 CA TYR A 54 -6.504 -1.419 -3.836 1.00 0.00 C ATOM 764 C TYR A 54 -5.002 -1.420 -3.755 1.00 0.00 C ATOM 765 O TYR A 54 -4.325 -2.300 -4.335 1.00 0.00 O ATOM 766 CB TYR A 54 -7.095 -2.414 -2.820 1.00 0.00 C ATOM 767 CG TYR A 54 -8.546 -2.726 -3.079 1.00 0.00 C ATOM 768 CD1 TYR A 54 -9.553 -1.866 -2.680 1.00 0.00 C ATOM 769 CD2 TYR A 54 -8.896 -3.858 -3.788 1.00 0.00 C ATOM 770 CE1 TYR A 54 -10.874 -2.138 -2.979 1.00 0.00 C ATOM 771 CE2 TYR A 54 -10.197 -4.124 -4.103 1.00 0.00 C ATOM 772 CZ TYR A 54 -11.185 -3.264 -3.701 1.00 0.00 C ATOM 773 OH TYR A 54 -12.492 -3.515 -4.056 1.00 0.00 O ATOM 0 H TYR A 54 -6.665 -2.725 -5.447 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.886 -0.427 -3.594 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.519 -3.339 -2.848 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.991 -2.004 -1.815 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.304 -0.972 -2.128 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.125 -4.547 -4.100 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.656 -1.471 -2.648 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.447 -5.010 -4.668 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.927 -2.677 -4.318 1.00 0.00 H new ATOM 783 N VAL A 55 -4.472 -0.451 -3.094 1.00 0.00 N ATOM 784 CA VAL A 55 -3.065 -0.375 -2.895 1.00 0.00 C ATOM 785 C VAL A 55 -2.843 -0.091 -1.451 1.00 0.00 C ATOM 786 O VAL A 55 -3.617 0.648 -0.840 1.00 0.00 O ATOM 787 CB VAL A 55 -2.348 0.679 -3.808 1.00 0.00 C ATOM 788 CG1 VAL A 55 -2.766 2.091 -3.493 1.00 0.00 C ATOM 789 CG2 VAL A 55 -0.850 0.558 -3.702 1.00 0.00 C ATOM 0 H VAL A 55 -5.002 0.313 -2.675 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.616 -1.325 -3.186 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.656 0.459 -4.830 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.241 2.782 -4.153 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.841 2.194 -3.641 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.519 2.321 -2.457 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.379 1.301 -4.345 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.544 0.726 -2.669 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.543 -0.440 -4.014 1.00 0.00 H new ATOM 799 N GLY A 56 -1.866 -0.718 -0.900 1.00 0.00 N ATOM 800 CA GLY A 56 -1.614 -0.554 0.486 1.00 0.00 C ATOM 801 C GLY A 56 -0.228 -0.124 0.789 1.00 0.00 C ATOM 802 O GLY A 56 0.713 -0.571 0.174 1.00 0.00 O ATOM 0 H GLY A 56 -1.229 -1.348 -1.387 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.310 0.181 0.889 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.814 -1.496 0.997 1.00 0.00 H new ATOM 806 N VAL A 57 -0.107 0.732 1.738 1.00 0.00 N ATOM 807 CA VAL A 57 1.174 1.200 2.209 1.00 0.00 C ATOM 808 C VAL A 57 1.195 0.923 3.691 1.00 0.00 C ATOM 809 O VAL A 57 0.186 1.137 4.363 1.00 0.00 O ATOM 810 CB VAL A 57 1.382 2.739 1.985 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.793 3.184 2.347 1.00 0.00 C ATOM 812 CG2 VAL A 57 1.007 3.179 0.577 1.00 0.00 C ATOM 0 H VAL A 57 -0.902 1.143 2.227 1.00 0.00 H new ATOM 0 HA VAL A 57 1.968 0.694 1.659 1.00 0.00 H new ATOM 0 HB VAL A 57 0.696 3.240 2.668 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.891 4.256 2.176 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.986 2.965 3.397 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.513 2.650 1.727 1.00 0.00 H new ATOM 0 HG21 VAL A 57 1.170 4.252 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.625 2.648 -0.147 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.043 2.952 0.393 1.00 0.00 H new ATOM 822 N PHE A 58 2.276 0.389 4.191 1.00 0.00 N ATOM 823 CA PHE A 58 2.378 0.138 5.628 1.00 0.00 C ATOM 824 C PHE A 58 3.809 -0.177 5.988 1.00 0.00 C ATOM 825 O PHE A 58 4.609 -0.509 5.107 1.00 0.00 O ATOM 826 CB PHE A 58 1.433 -1.039 6.026 1.00 0.00 C ATOM 827 CG PHE A 58 1.353 -1.361 7.498 1.00 0.00 C ATOM 828 CD1 PHE A 58 0.960 -0.397 8.411 1.00 0.00 C ATOM 829 CD2 PHE A 58 1.670 -2.627 7.964 1.00 0.00 C ATOM 830 CE1 PHE A 58 0.885 -0.689 9.760 1.00 0.00 C ATOM 831 CE2 PHE A 58 1.596 -2.925 9.311 1.00 0.00 C ATOM 832 CZ PHE A 58 1.203 -1.954 10.208 1.00 0.00 C ATOM 0 H PHE A 58 3.094 0.118 3.646 1.00 0.00 H new ATOM 0 HA PHE A 58 2.071 1.028 6.178 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.429 -0.807 5.671 1.00 0.00 H new ATOM 0 HB3 PHE A 58 1.759 -1.934 5.497 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.709 0.595 8.065 1.00 0.00 H new ATOM 0 HD2 PHE A 58 1.979 -3.390 7.265 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.578 0.072 10.462 1.00 0.00 H new ATOM 0 HE2 PHE A 58 1.845 -3.916 9.661 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.144 -2.184 11.262 1.00 0.00 H new ATOM 842 N ARG A 59 4.150 -0.021 7.253 1.00 0.00 N ATOM 843 CA ARG A 59 5.422 -0.464 7.727 1.00 0.00 C ATOM 844 C ARG A 59 5.248 -1.914 8.081 1.00 0.00 C ATOM 845 O ARG A 59 4.793 -2.256 9.164 1.00 0.00 O ATOM 846 CB ARG A 59 5.929 0.346 8.941 1.00 0.00 C ATOM 847 CG ARG A 59 6.322 1.788 8.622 1.00 0.00 C ATOM 848 CD ARG A 59 6.962 2.490 9.824 1.00 0.00 C ATOM 849 NE ARG A 59 8.098 1.719 10.375 1.00 0.00 N ATOM 850 CZ ARG A 59 9.368 2.154 10.531 1.00 0.00 C ATOM 851 NH1 ARG A 59 9.737 3.357 10.110 1.00 0.00 N ATOM 852 NH2 ARG A 59 10.272 1.354 11.080 1.00 0.00 N ATOM 0 H ARG A 59 3.556 0.410 7.961 1.00 0.00 H new ATOM 0 HA ARG A 59 6.180 -0.318 6.957 1.00 0.00 H new ATOM 0 HB2 ARG A 59 5.152 0.355 9.705 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.791 -0.166 9.369 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.019 1.796 7.784 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.438 2.343 8.307 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.307 3.480 9.525 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.211 2.635 10.601 1.00 0.00 H new ATOM 0 HE ARG A 59 7.903 0.761 10.667 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.058 3.970 9.660 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.700 3.668 10.236 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.007 0.416 11.382 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.232 1.676 11.201 1.00 0.00 H new ATOM 866 N ASN A 60 5.559 -2.748 7.132 1.00 0.00 N ATOM 867 CA ASN A 60 5.319 -4.120 7.214 1.00 0.00 C ATOM 868 C ASN A 60 6.463 -4.761 7.855 1.00 0.00 C ATOM 869 O ASN A 60 7.620 -4.544 7.493 1.00 0.00 O ATOM 870 CB ASN A 60 5.026 -4.750 5.843 1.00 0.00 C ATOM 871 CG ASN A 60 3.782 -4.178 5.180 1.00 0.00 C ATOM 872 OD1 ASN A 60 2.667 -4.615 5.435 1.00 0.00 O ATOM 873 ND2 ASN A 60 3.959 -3.220 4.301 1.00 0.00 N ATOM 0 H ASN A 60 6.001 -2.461 6.259 1.00 0.00 H new ATOM 0 HA ASN A 60 4.422 -4.277 7.814 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.883 -4.596 5.188 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.905 -5.827 5.962 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.157 -2.822 3.812 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.898 -2.873 4.107 1.00 0.00 H new ATOM 880 N HIS A 61 6.141 -5.446 8.839 1.00 0.00 N ATOM 881 CA HIS A 61 7.091 -6.171 9.639 1.00 0.00 C ATOM 882 C HIS A 61 7.166 -7.590 9.143 1.00 0.00 C ATOM 883 O HIS A 61 8.228 -8.076 8.719 1.00 0.00 O ATOM 884 CB HIS A 61 6.661 -6.183 11.115 1.00 0.00 C ATOM 885 CG HIS A 61 6.382 -4.833 11.696 1.00 0.00 C ATOM 886 ND1 HIS A 61 5.258 -4.538 12.429 1.00 0.00 N ATOM 887 CD2 HIS A 61 7.106 -3.694 11.651 1.00 0.00 C ATOM 888 CE1 HIS A 61 5.325 -3.264 12.795 1.00 0.00 C ATOM 889 NE2 HIS A 61 6.435 -2.700 12.348 1.00 0.00 N ATOM 0 H HIS A 61 5.177 -5.547 9.156 1.00 0.00 H new ATOM 0 HA HIS A 61 8.063 -5.684 9.558 1.00 0.00 H new ATOM 0 HB2 HIS A 61 5.766 -6.798 11.214 1.00 0.00 H new ATOM 0 HB3 HIS A 61 7.444 -6.662 11.703 1.00 0.00 H new ATOM 0 HD2 HIS A 61 8.056 -3.576 11.152 1.00 0.00 H new ATOM 0 HE1 HIS A 61 4.573 -2.755 13.380 1.00 0.00 H new ATOM 0 HE2 HIS A 61 6.735 -1.735 12.487 1.00 0.00 H new ATOM 897 N ASP A 62 6.030 -8.246 9.154 1.00 0.00 N ATOM 898 CA ASP A 62 5.959 -9.635 8.788 1.00 0.00 C ATOM 899 C ASP A 62 5.500 -9.809 7.368 1.00 0.00 C ATOM 900 O ASP A 62 4.431 -9.335 6.976 1.00 0.00 O ATOM 901 CB ASP A 62 5.074 -10.415 9.740 1.00 0.00 C ATOM 902 CG ASP A 62 5.109 -11.882 9.432 1.00 0.00 C ATOM 903 OD1 ASP A 62 6.175 -12.518 9.633 1.00 0.00 O ATOM 904 OD2 ASP A 62 4.095 -12.418 8.998 1.00 0.00 O ATOM 0 H ASP A 62 5.135 -7.832 9.416 1.00 0.00 H new ATOM 0 HA ASP A 62 6.969 -10.038 8.863 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.402 -10.248 10.766 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.049 -10.050 9.670 1.00 0.00 H new ATOM 909 N ILE A 63 6.315 -10.488 6.599 1.00 0.00 N ATOM 910 CA ILE A 63 6.047 -10.748 5.196 1.00 0.00 C ATOM 911 C ILE A 63 4.800 -11.626 5.019 1.00 0.00 C ATOM 912 O ILE A 63 4.033 -11.451 4.077 1.00 0.00 O ATOM 913 CB ILE A 63 7.304 -11.366 4.491 1.00 0.00 C ATOM 914 CG1 ILE A 63 7.040 -11.628 3.008 1.00 0.00 C ATOM 915 CG2 ILE A 63 7.762 -12.645 5.191 1.00 0.00 C ATOM 916 CD1 ILE A 63 8.289 -11.943 2.202 1.00 0.00 C ATOM 0 H ILE A 63 7.196 -10.883 6.929 1.00 0.00 H new ATOM 0 HA ILE A 63 5.836 -9.795 4.710 1.00 0.00 H new ATOM 0 HB ILE A 63 8.108 -10.634 4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.342 -12.460 2.916 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.553 -10.753 2.577 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.635 -13.048 4.678 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.021 -12.421 6.226 1.00 0.00 H new ATOM 0 HG23 ILE A 63 6.957 -13.380 5.170 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.016 -12.116 1.161 1.00 0.00 H new ATOM 0 HD12 ILE A 63 8.981 -11.103 2.261 1.00 0.00 H new ATOM 0 HD13 ILE A 63 8.767 -12.836 2.605 1.00 0.00 H new ATOM 928 N ALA A 64 4.532 -12.471 5.985 1.00 0.00 N ATOM 929 CA ALA A 64 3.396 -13.365 5.892 1.00 0.00 C ATOM 930 C ALA A 64 2.109 -12.628 6.262 1.00 0.00 C ATOM 931 O ALA A 64 1.014 -13.098 5.994 1.00 0.00 O ATOM 932 CB ALA A 64 3.598 -14.601 6.759 1.00 0.00 C ATOM 0 H ALA A 64 5.079 -12.561 6.841 1.00 0.00 H new ATOM 0 HA ALA A 64 3.308 -13.704 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.730 -15.254 6.670 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.489 -15.135 6.429 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.720 -14.300 7.799 1.00 0.00 H new ATOM 938 N ASP A 65 2.266 -11.460 6.855 1.00 0.00 N ATOM 939 CA ASP A 65 1.143 -10.609 7.257 1.00 0.00 C ATOM 940 C ASP A 65 0.724 -9.741 6.105 1.00 0.00 C ATOM 941 O ASP A 65 -0.472 -9.524 5.862 1.00 0.00 O ATOM 942 CB ASP A 65 1.510 -9.737 8.471 1.00 0.00 C ATOM 943 CG ASP A 65 0.486 -8.641 8.767 1.00 0.00 C ATOM 944 OD1 ASP A 65 -0.641 -8.947 9.249 1.00 0.00 O ATOM 945 OD2 ASP A 65 0.801 -7.466 8.555 1.00 0.00 O ATOM 0 H ASP A 65 3.180 -11.065 7.077 1.00 0.00 H new ATOM 0 HA ASP A 65 0.313 -11.254 7.546 1.00 0.00 H new ATOM 0 HB2 ASP A 65 1.612 -10.375 9.349 1.00 0.00 H new ATOM 0 HB3 ASP A 65 2.483 -9.277 8.297 1.00 0.00 H new ATOM 950 N VAL A 66 1.703 -9.261 5.375 1.00 0.00 N ATOM 951 CA VAL A 66 1.440 -8.415 4.248 1.00 0.00 C ATOM 952 C VAL A 66 0.977 -9.228 3.040 1.00 0.00 C ATOM 953 O VAL A 66 0.063 -8.810 2.322 1.00 0.00 O ATOM 954 CB VAL A 66 2.638 -7.492 3.893 1.00 0.00 C ATOM 955 CG1 VAL A 66 3.862 -8.268 3.461 1.00 0.00 C ATOM 956 CG2 VAL A 66 2.236 -6.467 2.853 1.00 0.00 C ATOM 0 H VAL A 66 2.691 -9.446 5.547 1.00 0.00 H new ATOM 0 HA VAL A 66 0.624 -7.754 4.540 1.00 0.00 H new ATOM 0 HB VAL A 66 2.917 -6.964 4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 66 4.668 -7.574 3.225 1.00 0.00 H new ATOM 0 HG12 VAL A 66 4.177 -8.929 4.268 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.624 -8.861 2.578 1.00 0.00 H new ATOM 0 HG21 VAL A 66 3.090 -5.831 2.619 1.00 0.00 H new ATOM 0 HG22 VAL A 66 1.905 -6.977 1.948 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.423 -5.854 3.242 1.00 0.00 H new ATOM 966 N VAL A 67 1.558 -10.420 2.847 1.00 0.00 N ATOM 967 CA VAL A 67 1.138 -11.288 1.739 1.00 0.00 C ATOM 968 C VAL A 67 -0.288 -11.769 1.994 1.00 0.00 C ATOM 969 O VAL A 67 -1.086 -11.929 1.066 1.00 0.00 O ATOM 970 CB VAL A 67 2.123 -12.477 1.513 1.00 0.00 C ATOM 971 CG1 VAL A 67 1.586 -13.463 0.475 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.467 -11.938 1.045 1.00 0.00 C ATOM 0 H VAL A 67 2.304 -10.799 3.430 1.00 0.00 H new ATOM 0 HA VAL A 67 1.158 -10.710 0.815 1.00 0.00 H new ATOM 0 HB VAL A 67 2.235 -13.007 2.459 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.299 -14.277 0.344 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.632 -13.866 0.816 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.444 -12.949 -0.476 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.156 -12.767 0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.335 -11.392 0.111 1.00 0.00 H new ATOM 0 HG23 VAL A 67 3.874 -11.268 1.802 1.00 0.00 H new ATOM 982 N ASP A 68 -0.598 -11.924 3.272 1.00 0.00 N ATOM 983 CA ASP A 68 -1.943 -12.230 3.745 1.00 0.00 C ATOM 984 C ASP A 68 -2.923 -11.183 3.209 1.00 0.00 C ATOM 985 O ASP A 68 -3.848 -11.509 2.486 1.00 0.00 O ATOM 986 CB ASP A 68 -1.933 -12.218 5.287 1.00 0.00 C ATOM 987 CG ASP A 68 -3.291 -12.297 5.947 1.00 0.00 C ATOM 988 OD1 ASP A 68 -3.799 -13.413 6.171 1.00 0.00 O ATOM 989 OD2 ASP A 68 -3.836 -11.241 6.335 1.00 0.00 O ATOM 0 H ASP A 68 0.087 -11.840 4.023 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.257 -13.212 3.391 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.330 -13.056 5.636 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.438 -11.307 5.623 1.00 0.00 H new ATOM 994 N LYS A 69 -2.635 -9.919 3.489 1.00 0.00 N ATOM 995 CA LYS A 69 -3.507 -8.804 3.078 1.00 0.00 C ATOM 996 C LYS A 69 -3.590 -8.702 1.563 1.00 0.00 C ATOM 997 O LYS A 69 -4.672 -8.468 1.002 1.00 0.00 O ATOM 998 CB LYS A 69 -2.988 -7.474 3.636 1.00 0.00 C ATOM 999 CG LYS A 69 -2.747 -7.482 5.124 1.00 0.00 C ATOM 1000 CD LYS A 69 -4.004 -7.809 5.887 1.00 0.00 C ATOM 1001 CE LYS A 69 -3.717 -7.977 7.353 1.00 0.00 C ATOM 1002 NZ LYS A 69 -2.799 -9.115 7.589 1.00 0.00 N ATOM 0 H LYS A 69 -1.802 -9.630 4.001 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.500 -9.006 3.479 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -2.057 -7.219 3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.706 -6.688 3.399 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.974 -8.212 5.364 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.373 -6.507 5.438 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.737 -7.015 5.745 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.446 -8.724 5.492 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -3.276 -7.062 7.748 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.650 -8.140 7.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.997 -9.534 8.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.939 -9.833 6.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.815 -8.779 7.563 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.439 -8.880 0.925 1.00 0.00 N ATOM 1017 CA ALA A 70 -2.298 -8.824 -0.522 1.00 0.00 C ATOM 1018 C ALA A 70 -3.219 -9.826 -1.198 1.00 0.00 C ATOM 1019 O ALA A 70 -3.822 -9.529 -2.231 1.00 0.00 O ATOM 1020 CB ALA A 70 -0.845 -9.094 -0.895 1.00 0.00 C ATOM 0 H ALA A 70 -1.562 -9.071 1.410 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.582 -7.830 -0.868 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.734 -9.053 -1.979 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.205 -8.340 -0.436 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.555 -10.082 -0.538 1.00 0.00 H new ATOM 1026 N LYS A 71 -3.339 -10.991 -0.594 1.00 0.00 N ATOM 1027 CA LYS A 71 -4.179 -12.045 -1.107 1.00 0.00 C ATOM 1028 C LYS A 71 -5.645 -11.835 -0.708 1.00 0.00 C ATOM 1029 O LYS A 71 -6.523 -11.815 -1.566 1.00 0.00 O ATOM 1030 CB LYS A 71 -3.694 -13.393 -0.587 1.00 0.00 C ATOM 1031 CG LYS A 71 -4.490 -14.577 -1.111 1.00 0.00 C ATOM 1032 CD LYS A 71 -4.057 -15.885 -0.470 1.00 0.00 C ATOM 1033 CE LYS A 71 -2.596 -16.216 -0.728 1.00 0.00 C ATOM 1034 NZ LYS A 71 -2.299 -16.360 -2.162 1.00 0.00 N ATOM 0 H LYS A 71 -2.853 -11.231 0.270 1.00 0.00 H new ATOM 0 HA LYS A 71 -4.116 -12.026 -2.195 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.647 -13.522 -0.861 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.741 -13.390 0.502 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -5.551 -14.414 -0.920 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.368 -14.646 -2.192 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -4.227 -15.831 0.605 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.680 -16.694 -0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.968 -15.431 -0.307 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -2.339 -17.141 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.324 -16.701 -2.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.959 -17.043 -2.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.404 -15.439 -2.633 1.00 0.00 H new ATOM 1048 N VAL A 72 -5.884 -11.652 0.595 1.00 0.00 N ATOM 1049 CA VAL A 72 -7.242 -11.534 1.147 1.00 0.00 C ATOM 1050 C VAL A 72 -8.041 -10.412 0.484 1.00 0.00 C ATOM 1051 O VAL A 72 -9.144 -10.643 -0.031 1.00 0.00 O ATOM 1052 CB VAL A 72 -7.243 -11.337 2.701 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -8.658 -11.199 3.238 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -6.547 -12.490 3.398 1.00 0.00 C ATOM 0 H VAL A 72 -5.146 -11.581 1.296 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.729 -12.483 0.924 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.697 -10.416 2.908 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.625 -11.064 4.319 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.139 -10.335 2.779 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -9.226 -12.099 3.002 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.563 -12.327 4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.063 -13.421 3.165 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.514 -12.552 3.055 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.503 -9.207 0.483 1.00 0.00 N ATOM 1065 CA LEU A 73 -8.214 -8.099 -0.112 1.00 0.00 C ATOM 1066 C LEU A 73 -8.009 -8.053 -1.627 1.00 0.00 C ATOM 1067 O LEU A 73 -8.737 -7.348 -2.327 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.784 -6.783 0.541 1.00 0.00 C ATOM 1069 CG LEU A 73 -8.912 -5.809 0.915 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -9.670 -5.291 -0.296 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -9.866 -6.466 1.894 1.00 0.00 C ATOM 0 H LEU A 73 -6.593 -8.976 0.880 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.280 -8.243 0.067 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.221 -7.017 1.444 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.101 -6.272 -0.137 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.443 -4.944 1.385 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -10.454 -4.608 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.982 -4.765 -0.958 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -10.118 -6.129 -0.830 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.661 -5.767 2.152 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.299 -7.356 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.324 -6.748 2.797 1.00 0.00 H new ATOM 1083 N SER A 74 -7.064 -8.842 -2.122 1.00 0.00 N ATOM 1084 CA SER A 74 -6.720 -8.851 -3.532 1.00 0.00 C ATOM 1085 C SER A 74 -6.203 -7.474 -3.939 1.00 0.00 C ATOM 1086 O SER A 74 -6.918 -6.663 -4.531 1.00 0.00 O ATOM 1087 CB SER A 74 -7.921 -9.322 -4.404 1.00 0.00 C ATOM 1088 OG SER A 74 -7.651 -9.273 -5.806 1.00 0.00 O ATOM 0 H SER A 74 -6.517 -9.491 -1.556 1.00 0.00 H new ATOM 0 HA SER A 74 -5.922 -9.573 -3.705 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.185 -10.343 -4.127 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.787 -8.698 -4.185 1.00 0.00 H new ATOM 0 HG SER A 74 -8.438 -9.581 -6.302 1.00 0.00 H new ATOM 1094 N LEU A 75 -4.994 -7.189 -3.535 1.00 0.00 N ATOM 1095 CA LEU A 75 -4.379 -5.924 -3.821 1.00 0.00 C ATOM 1096 C LEU A 75 -3.777 -5.931 -5.209 1.00 0.00 C ATOM 1097 O LEU A 75 -3.832 -6.934 -5.923 1.00 0.00 O ATOM 1098 CB LEU A 75 -3.302 -5.606 -2.779 1.00 0.00 C ATOM 1099 CG LEU A 75 -3.764 -5.595 -1.326 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -2.621 -5.236 -0.402 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -4.926 -4.639 -1.141 1.00 0.00 C ATOM 0 H LEU A 75 -4.409 -7.829 -2.998 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.146 -5.151 -3.778 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.500 -6.337 -2.879 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.875 -4.630 -3.012 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.104 -6.598 -1.069 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.974 -5.234 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.821 -5.969 -0.511 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.243 -4.246 -0.658 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.240 -4.646 -0.097 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.616 -3.632 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.758 -4.951 -1.773 1.00 0.00 H new ATOM 1113 N ALA A 76 -3.196 -4.835 -5.572 1.00 0.00 N ATOM 1114 CA ALA A 76 -2.594 -4.706 -6.871 1.00 0.00 C ATOM 1115 C ALA A 76 -1.189 -4.229 -6.697 1.00 0.00 C ATOM 1116 O ALA A 76 -0.312 -4.544 -7.481 1.00 0.00 O ATOM 1117 CB ALA A 76 -3.388 -3.766 -7.746 1.00 0.00 C ATOM 0 H ALA A 76 -3.122 -4.004 -4.985 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.589 -5.674 -7.372 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.910 -3.687 -8.722 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.401 -4.150 -7.868 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.427 -2.781 -7.280 1.00 0.00 H new ATOM 1123 N ALA A 77 -0.988 -3.426 -5.679 1.00 0.00 N ATOM 1124 CA ALA A 77 0.311 -3.019 -5.275 1.00 0.00 C ATOM 1125 C ALA A 77 0.323 -2.800 -3.787 1.00 0.00 C ATOM 1126 O ALA A 77 -0.734 -2.635 -3.165 1.00 0.00 O ATOM 1127 CB ALA A 77 0.714 -1.766 -5.981 1.00 0.00 C ATOM 0 H ALA A 77 -1.740 -3.039 -5.109 1.00 0.00 H new ATOM 0 HA ALA A 77 1.025 -3.801 -5.535 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.712 -1.471 -5.657 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.718 -1.940 -7.057 1.00 0.00 H new ATOM 0 HB3 ALA A 77 0.006 -0.971 -5.744 1.00 0.00 H new ATOM 1133 N VAL A 78 1.488 -2.813 -3.234 1.00 0.00 N ATOM 1134 CA VAL A 78 1.699 -2.585 -1.824 1.00 0.00 C ATOM 1135 C VAL A 78 3.072 -1.945 -1.651 1.00 0.00 C ATOM 1136 O VAL A 78 3.996 -2.232 -2.421 1.00 0.00 O ATOM 1137 CB VAL A 78 1.604 -3.902 -1.037 1.00 0.00 C ATOM 1138 CG1 VAL A 78 2.580 -4.906 -1.619 1.00 0.00 C ATOM 1139 CG2 VAL A 78 1.869 -3.682 0.447 1.00 0.00 C ATOM 0 H VAL A 78 2.349 -2.986 -3.753 1.00 0.00 H new ATOM 0 HA VAL A 78 0.927 -1.922 -1.433 1.00 0.00 H new ATOM 0 HB VAL A 78 0.590 -4.293 -1.127 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.515 -5.841 -1.063 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.334 -5.088 -2.665 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.594 -4.511 -1.548 1.00 0.00 H new ATOM 0 HG21 VAL A 78 1.794 -4.633 0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 78 2.869 -3.270 0.581 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.133 -2.985 0.849 1.00 0.00 H new ATOM 1149 N GLN A 79 3.184 -1.001 -0.748 1.00 0.00 N ATOM 1150 CA GLN A 79 4.370 -0.313 -0.551 1.00 0.00 C ATOM 1151 C GLN A 79 5.098 -0.908 0.591 1.00 0.00 C ATOM 1152 O GLN A 79 4.686 -0.802 1.756 1.00 0.00 O ATOM 1153 CB GLN A 79 4.100 1.164 -0.394 1.00 0.00 C ATOM 1154 CG GLN A 79 3.889 1.900 -1.710 1.00 0.00 C ATOM 1155 CD GLN A 79 2.645 1.477 -2.468 1.00 0.00 C ATOM 1156 OE1 GLN A 79 1.598 2.070 -2.323 1.00 0.00 O ATOM 1157 NE2 GLN A 79 2.743 0.411 -3.246 1.00 0.00 N ATOM 0 H GLN A 79 2.423 -0.708 -0.136 1.00 0.00 H new ATOM 0 HA GLN A 79 5.016 -0.408 -1.424 1.00 0.00 H new ATOM 0 HB2 GLN A 79 3.216 1.297 0.230 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.936 1.621 0.136 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.832 2.970 -1.510 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.760 1.741 -2.346 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.639 -0.066 -3.347 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.923 0.066 -3.745 1.00 0.00 H new ATOM 1166 N LEU A 80 6.179 -1.516 0.253 1.00 0.00 N ATOM 1167 CA LEU A 80 6.923 -2.326 1.110 1.00 0.00 C ATOM 1168 C LEU A 80 8.142 -1.598 1.196 1.00 0.00 C ATOM 1169 O LEU A 80 8.994 -1.690 0.325 1.00 0.00 O ATOM 1170 CB LEU A 80 7.097 -3.699 0.476 1.00 0.00 C ATOM 1171 CG LEU A 80 5.772 -4.398 0.176 1.00 0.00 C ATOM 1172 CD1 LEU A 80 5.951 -5.554 -0.764 1.00 0.00 C ATOM 1173 CD2 LEU A 80 5.140 -4.877 1.458 1.00 0.00 C ATOM 0 H LEU A 80 6.578 -1.449 -0.683 1.00 0.00 H new ATOM 0 HA LEU A 80 6.482 -2.518 2.088 1.00 0.00 H new ATOM 0 HB2 LEU A 80 7.663 -3.595 -0.450 1.00 0.00 H new ATOM 0 HB3 LEU A 80 7.688 -4.327 1.142 1.00 0.00 H new ATOM 0 HG LEU A 80 5.119 -3.672 -0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 80 4.985 -6.024 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.369 -5.196 -1.705 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.629 -6.283 -0.319 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.196 -5.374 1.235 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.811 -5.578 1.954 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.956 -4.026 2.113 1.00 0.00 H new ATOM 1185 N HIS A 81 8.173 -0.748 2.112 1.00 0.00 N ATOM 1186 CA HIS A 81 9.187 0.161 2.103 1.00 0.00 C ATOM 1187 C HIS A 81 10.295 -0.197 2.995 1.00 0.00 C ATOM 1188 O HIS A 81 10.274 -1.188 3.723 1.00 0.00 O ATOM 1189 CB HIS A 81 8.686 1.628 2.254 1.00 0.00 C ATOM 1190 CG HIS A 81 7.909 1.957 3.502 1.00 0.00 C ATOM 1191 ND1 HIS A 81 6.551 1.759 3.639 1.00 0.00 N ATOM 1192 CD2 HIS A 81 8.313 2.543 4.653 1.00 0.00 C ATOM 1193 CE1 HIS A 81 6.187 2.227 4.831 1.00 0.00 C ATOM 1194 NE2 HIS A 81 7.217 2.715 5.488 1.00 0.00 N ATOM 0 H HIS A 81 7.503 -0.668 2.877 1.00 0.00 H new ATOM 0 HA HIS A 81 9.623 0.118 1.105 1.00 0.00 H new ATOM 0 HB2 HIS A 81 9.552 2.289 2.209 1.00 0.00 H new ATOM 0 HB3 HIS A 81 8.061 1.863 1.393 1.00 0.00 H new ATOM 0 HD1 HIS A 81 5.934 1.330 2.949 1.00 0.00 H new ATOM 0 HD2 HIS A 81 9.328 2.831 4.885 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.176 2.208 5.210 1.00 0.00 H new ATOM 1202 N GLY A 82 11.241 0.600 2.868 1.00 0.00 N ATOM 1203 CA GLY A 82 12.511 0.564 3.594 1.00 0.00 C ATOM 1204 C GLY A 82 12.450 0.413 5.120 1.00 0.00 C ATOM 1205 O GLY A 82 13.493 0.238 5.760 1.00 0.00 O ATOM 0 H GLY A 82 11.196 1.379 2.212 1.00 0.00 H new ATOM 0 HA2 GLY A 82 13.102 -0.262 3.198 1.00 0.00 H new ATOM 0 HA3 GLY A 82 13.054 1.482 3.368 1.00 0.00 H new ATOM 1209 N ASN A 83 11.262 0.541 5.687 1.00 0.00 N ATOM 1210 CA ASN A 83 11.024 0.486 7.128 1.00 0.00 C ATOM 1211 C ASN A 83 11.760 -0.657 7.858 1.00 0.00 C ATOM 1212 O ASN A 83 12.336 -0.425 8.919 1.00 0.00 O ATOM 1213 CB ASN A 83 9.506 0.417 7.449 1.00 0.00 C ATOM 1214 CG ASN A 83 8.788 -0.861 6.972 1.00 0.00 C ATOM 1215 OD1 ASN A 83 8.251 -0.915 5.866 1.00 0.00 O ATOM 1216 ND2 ASN A 83 8.741 -1.871 7.817 1.00 0.00 N ATOM 0 H ASN A 83 10.410 0.690 5.147 1.00 0.00 H new ATOM 0 HA ASN A 83 11.444 1.417 7.509 1.00 0.00 H new ATOM 0 HB2 ASN A 83 9.375 0.506 8.527 1.00 0.00 H new ATOM 0 HB3 ASN A 83 9.016 1.279 6.996 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.250 -2.728 7.561 1.00 0.00 H new ATOM 0 HD22 ASN A 83 9.196 -1.796 8.727 1.00 0.00 H new ATOM 1223 N GLU A 84 11.747 -1.870 7.310 1.00 0.00 N ATOM 1224 CA GLU A 84 12.324 -2.982 8.048 1.00 0.00 C ATOM 1225 C GLU A 84 13.822 -3.169 7.774 1.00 0.00 C ATOM 1226 O GLU A 84 14.619 -3.197 8.713 1.00 0.00 O ATOM 1227 CB GLU A 84 11.562 -4.275 7.730 1.00 0.00 C ATOM 1228 CG GLU A 84 11.362 -5.233 8.913 1.00 0.00 C ATOM 1229 CD GLU A 84 12.631 -5.607 9.642 1.00 0.00 C ATOM 1230 OE1 GLU A 84 13.338 -6.536 9.216 1.00 0.00 O ATOM 1231 OE2 GLU A 84 12.920 -4.997 10.691 1.00 0.00 O ATOM 0 H GLU A 84 11.359 -2.100 6.395 1.00 0.00 H new ATOM 0 HA GLU A 84 12.226 -2.745 9.107 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.583 -4.010 7.330 1.00 0.00 H new ATOM 0 HB3 GLU A 84 12.095 -4.806 6.941 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.673 -4.774 9.622 1.00 0.00 H new ATOM 0 HG3 GLU A 84 10.886 -6.144 8.549 1.00 0.00 H new ATOM 1238 N GLU A 85 14.204 -3.202 6.502 1.00 0.00 N ATOM 1239 CA GLU A 85 15.571 -3.514 6.092 1.00 0.00 C ATOM 1240 C GLU A 85 15.583 -3.473 4.549 1.00 0.00 C ATOM 1241 O GLU A 85 14.513 -3.415 3.956 1.00 0.00 O ATOM 1242 CB GLU A 85 15.912 -4.930 6.648 1.00 0.00 C ATOM 1243 CG GLU A 85 17.382 -5.254 6.818 1.00 0.00 C ATOM 1244 CD GLU A 85 18.010 -5.871 5.614 1.00 0.00 C ATOM 1245 OE1 GLU A 85 17.893 -7.095 5.442 1.00 0.00 O ATOM 1246 OE2 GLU A 85 18.616 -5.146 4.815 1.00 0.00 O ATOM 0 H GLU A 85 13.573 -3.013 5.723 1.00 0.00 H new ATOM 0 HA GLU A 85 16.315 -2.813 6.472 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.424 -5.043 7.616 1.00 0.00 H new ATOM 0 HB3 GLU A 85 15.474 -5.673 5.981 1.00 0.00 H new ATOM 0 HG2 GLU A 85 17.919 -4.339 7.066 1.00 0.00 H new ATOM 0 HG3 GLU A 85 17.499 -5.932 7.664 1.00 0.00 H new ATOM 1253 N GLN A 86 16.746 -3.530 3.915 1.00 0.00 N ATOM 1254 CA GLN A 86 16.877 -3.434 2.479 1.00 0.00 C ATOM 1255 C GLN A 86 16.502 -4.753 1.853 1.00 0.00 C ATOM 1256 O GLN A 86 15.652 -4.847 0.955 1.00 0.00 O ATOM 1257 CB GLN A 86 18.329 -3.141 2.136 1.00 0.00 C ATOM 1258 CG GLN A 86 18.857 -1.801 2.600 1.00 0.00 C ATOM 1259 CD GLN A 86 20.336 -1.668 2.327 1.00 0.00 C ATOM 1260 OE1 GLN A 86 20.754 -1.215 1.264 1.00 0.00 O ATOM 1261 NE2 GLN A 86 21.140 -2.064 3.266 1.00 0.00 N ATOM 0 H GLN A 86 17.637 -3.646 4.398 1.00 0.00 H new ATOM 0 HA GLN A 86 16.227 -2.643 2.106 1.00 0.00 H new ATOM 0 HB2 GLN A 86 18.950 -3.925 2.569 1.00 0.00 H new ATOM 0 HB3 GLN A 86 18.447 -3.202 1.054 1.00 0.00 H new ATOM 0 HG2 GLN A 86 18.318 -1.000 2.093 1.00 0.00 H new ATOM 0 HG3 GLN A 86 18.670 -1.684 3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 86 20.762 -2.436 4.138 1.00 0.00 H new ATOM 0 HE22 GLN A 86 22.149 -2.004 3.132 1.00 0.00 H new ATOM 1270 N LEU A 87 17.101 -5.777 2.398 1.00 0.00 N ATOM 1271 CA LEU A 87 16.975 -7.129 1.921 1.00 0.00 C ATOM 1272 C LEU A 87 15.614 -7.696 2.254 1.00 0.00 C ATOM 1273 O LEU A 87 15.212 -8.745 1.739 1.00 0.00 O ATOM 1274 CB LEU A 87 18.097 -7.959 2.483 1.00 0.00 C ATOM 1275 CG LEU A 87 19.478 -7.426 2.135 1.00 0.00 C ATOM 1276 CD1 LEU A 87 20.535 -8.076 2.981 1.00 0.00 C ATOM 1277 CD2 LEU A 87 19.782 -7.608 0.657 1.00 0.00 C ATOM 0 H LEU A 87 17.710 -5.691 3.212 1.00 0.00 H new ATOM 0 HA LEU A 87 17.054 -7.144 0.834 1.00 0.00 H new ATOM 0 HB2 LEU A 87 17.997 -8.005 3.567 1.00 0.00 H new ATOM 0 HB3 LEU A 87 18.005 -8.979 2.111 1.00 0.00 H new ATOM 0 HG LEU A 87 19.483 -6.357 2.348 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.513 -7.677 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 87 20.336 -7.871 4.033 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.524 -9.153 2.813 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.776 -7.217 0.439 1.00 0.00 H new ATOM 0 HD22 LEU A 87 19.746 -8.668 0.406 1.00 0.00 H new ATOM 0 HD23 LEU A 87 19.043 -7.069 0.064 1.00 0.00 H new ATOM 1289 N TYR A 88 14.905 -7.006 3.135 1.00 0.00 N ATOM 1290 CA TYR A 88 13.540 -7.340 3.424 1.00 0.00 C ATOM 1291 C TYR A 88 12.737 -7.218 2.144 1.00 0.00 C ATOM 1292 O TYR A 88 12.084 -8.162 1.739 1.00 0.00 O ATOM 1293 CB TYR A 88 12.948 -6.426 4.505 1.00 0.00 C ATOM 1294 CG TYR A 88 11.480 -6.701 4.798 1.00 0.00 C ATOM 1295 CD1 TYR A 88 11.031 -7.993 5.058 1.00 0.00 C ATOM 1296 CD2 TYR A 88 10.542 -5.674 4.788 1.00 0.00 C ATOM 1297 CE1 TYR A 88 9.697 -8.252 5.300 1.00 0.00 C ATOM 1298 CE2 TYR A 88 9.203 -5.927 5.037 1.00 0.00 C ATOM 1299 CZ TYR A 88 8.787 -7.218 5.291 1.00 0.00 C ATOM 1300 OH TYR A 88 7.459 -7.475 5.543 1.00 0.00 O ATOM 0 H TYR A 88 15.265 -6.209 3.659 1.00 0.00 H new ATOM 0 HA TYR A 88 13.500 -8.360 3.807 1.00 0.00 H new ATOM 0 HB2 TYR A 88 13.522 -6.545 5.424 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.059 -5.388 4.192 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.740 -8.808 5.071 1.00 0.00 H new ATOM 0 HD2 TYR A 88 10.863 -4.663 4.583 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.368 -9.262 5.496 1.00 0.00 H new ATOM 0 HE2 TYR A 88 8.488 -5.118 5.032 1.00 0.00 H new ATOM 0 HH TYR A 88 6.950 -6.639 5.500 1.00 0.00 H new ATOM 1310 N ILE A 89 12.903 -6.090 1.450 1.00 0.00 N ATOM 1311 CA ILE A 89 12.169 -5.796 0.211 1.00 0.00 C ATOM 1312 C ILE A 89 12.475 -6.863 -0.813 1.00 0.00 C ATOM 1313 O ILE A 89 11.595 -7.341 -1.519 1.00 0.00 O ATOM 1314 CB ILE A 89 12.509 -4.362 -0.358 1.00 0.00 C ATOM 1315 CG1 ILE A 89 11.821 -3.243 0.449 1.00 0.00 C ATOM 1316 CG2 ILE A 89 12.139 -4.224 -1.832 1.00 0.00 C ATOM 1317 CD1 ILE A 89 12.276 -3.087 1.871 1.00 0.00 C ATOM 0 H ILE A 89 13.550 -5.352 1.729 1.00 0.00 H new ATOM 0 HA ILE A 89 11.103 -5.797 0.438 1.00 0.00 H new ATOM 0 HB ILE A 89 13.589 -4.253 -0.260 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.980 -2.297 -0.069 1.00 0.00 H new ATOM 0 HG13 ILE A 89 10.747 -3.429 0.450 1.00 0.00 H new ATOM 0 HG21 ILE A 89 12.391 -3.222 -2.178 1.00 0.00 H new ATOM 0 HG22 ILE A 89 12.692 -4.960 -2.416 1.00 0.00 H new ATOM 0 HG23 ILE A 89 11.069 -4.392 -1.956 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.726 -2.272 2.342 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.090 -4.013 2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.343 -2.863 1.889 1.00 0.00 H new ATOM 1329 N ASP A 90 13.716 -7.296 -0.782 1.00 0.00 N ATOM 1330 CA ASP A 90 14.261 -8.337 -1.649 1.00 0.00 C ATOM 1331 C ASP A 90 13.518 -9.668 -1.471 1.00 0.00 C ATOM 1332 O ASP A 90 13.367 -10.450 -2.403 1.00 0.00 O ATOM 1333 CB ASP A 90 15.740 -8.502 -1.323 1.00 0.00 C ATOM 1334 CG ASP A 90 16.444 -9.524 -2.184 1.00 0.00 C ATOM 1335 OD1 ASP A 90 16.869 -9.182 -3.312 1.00 0.00 O ATOM 1336 OD2 ASP A 90 16.614 -10.676 -1.736 1.00 0.00 O ATOM 0 H ASP A 90 14.406 -6.923 -0.130 1.00 0.00 H new ATOM 0 HA ASP A 90 14.133 -8.041 -2.690 1.00 0.00 H new ATOM 0 HB2 ASP A 90 16.237 -7.539 -1.438 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.842 -8.790 -0.277 1.00 0.00 H new ATOM 1341 N THR A 91 12.982 -9.832 -0.309 1.00 0.00 N ATOM 1342 CA THR A 91 12.311 -11.021 0.118 1.00 0.00 C ATOM 1343 C THR A 91 10.827 -10.957 -0.266 1.00 0.00 C ATOM 1344 O THR A 91 10.252 -11.936 -0.743 1.00 0.00 O ATOM 1345 CB THR A 91 12.496 -11.131 1.631 1.00 0.00 C ATOM 1346 OG1 THR A 91 13.911 -11.163 1.930 1.00 0.00 O ATOM 1347 CG2 THR A 91 11.809 -12.348 2.178 1.00 0.00 C ATOM 0 H THR A 91 12.999 -9.106 0.407 1.00 0.00 H new ATOM 0 HA THR A 91 12.727 -11.904 -0.368 1.00 0.00 H new ATOM 0 HB THR A 91 12.041 -10.263 2.109 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.273 -10.253 1.897 1.00 0.00 H new ATOM 0 HG21 THR A 91 11.960 -12.397 3.256 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.742 -12.291 1.963 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.226 -13.241 1.712 1.00 0.00 H new ATOM 1355 N LEU A 92 10.225 -9.801 -0.041 1.00 0.00 N ATOM 1356 CA LEU A 92 8.843 -9.518 -0.437 1.00 0.00 C ATOM 1357 C LEU A 92 8.491 -9.995 -1.847 1.00 0.00 C ATOM 1358 O LEU A 92 7.445 -10.594 -2.028 1.00 0.00 O ATOM 1359 CB LEU A 92 8.480 -8.030 -0.319 1.00 0.00 C ATOM 1360 CG LEU A 92 8.110 -7.491 1.063 1.00 0.00 C ATOM 1361 CD1 LEU A 92 6.980 -8.271 1.647 1.00 0.00 C ATOM 1362 CD2 LEU A 92 9.248 -7.542 1.979 1.00 0.00 C ATOM 0 H LEU A 92 10.682 -9.019 0.427 1.00 0.00 H new ATOM 0 HA LEU A 92 8.252 -10.093 0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 92 9.325 -7.449 -0.689 1.00 0.00 H new ATOM 0 HB3 LEU A 92 7.642 -7.836 -0.989 1.00 0.00 H new ATOM 0 HG LEU A 92 7.809 -6.451 0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.732 -7.872 2.630 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.110 -8.195 0.995 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.271 -9.317 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.950 -7.151 2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.581 -8.574 2.089 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.063 -6.939 1.580 1.00 0.00 H new ATOM 1374 N ARG A 93 9.386 -9.759 -2.839 1.00 0.00 N ATOM 1375 CA ARG A 93 9.101 -10.182 -4.263 1.00 0.00 C ATOM 1376 C ARG A 93 8.815 -11.675 -4.349 1.00 0.00 C ATOM 1377 O ARG A 93 8.056 -12.125 -5.199 1.00 0.00 O ATOM 1378 CB ARG A 93 10.259 -9.955 -5.274 1.00 0.00 C ATOM 1379 CG ARG A 93 10.806 -8.555 -5.496 1.00 0.00 C ATOM 1380 CD ARG A 93 11.673 -8.153 -4.356 1.00 0.00 C ATOM 1381 NE ARG A 93 12.566 -7.031 -4.650 1.00 0.00 N ATOM 1382 CZ ARG A 93 13.910 -7.142 -4.650 1.00 0.00 C ATOM 1383 NH1 ARG A 93 14.483 -8.347 -4.731 1.00 0.00 N ATOM 1384 NH2 ARG A 93 14.667 -6.065 -4.643 1.00 0.00 N ATOM 0 H ARG A 93 10.285 -9.296 -2.704 1.00 0.00 H new ATOM 0 HA ARG A 93 8.253 -9.551 -4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 93 11.092 -10.583 -4.960 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.924 -10.330 -6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 93 11.376 -8.523 -6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 93 9.983 -7.848 -5.603 1.00 0.00 H new ATOM 0 HD2 ARG A 93 11.041 -7.888 -3.509 1.00 0.00 H new ATOM 0 HD3 ARG A 93 12.273 -9.010 -4.050 1.00 0.00 H new ATOM 0 HE ARG A 93 12.153 -6.124 -4.865 1.00 0.00 H new ATOM 0 HH11 ARG A 93 13.904 -9.184 -4.793 1.00 0.00 H new ATOM 0 HH12 ARG A 93 15.500 -8.429 -4.731 1.00 0.00 H new ATOM 0 HH21 ARG A 93 14.238 -5.140 -4.638 1.00 0.00 H new ATOM 0 HH22 ARG A 93 15.683 -6.156 -4.643 1.00 0.00 H new ATOM 1398 N GLU A 94 9.407 -12.425 -3.455 1.00 0.00 N ATOM 1399 CA GLU A 94 9.371 -13.870 -3.533 1.00 0.00 C ATOM 1400 C GLU A 94 8.044 -14.415 -3.055 1.00 0.00 C ATOM 1401 O GLU A 94 7.519 -15.386 -3.609 1.00 0.00 O ATOM 1402 CB GLU A 94 10.527 -14.444 -2.746 1.00 0.00 C ATOM 1403 CG GLU A 94 11.830 -13.786 -3.136 1.00 0.00 C ATOM 1404 CD GLU A 94 13.018 -14.352 -2.435 1.00 0.00 C ATOM 1405 OE1 GLU A 94 13.575 -15.346 -2.911 1.00 0.00 O ATOM 1406 OE2 GLU A 94 13.434 -13.805 -1.410 1.00 0.00 O ATOM 0 H GLU A 94 9.925 -12.058 -2.656 1.00 0.00 H new ATOM 0 HA GLU A 94 9.474 -14.172 -4.575 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.350 -14.304 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.592 -15.518 -2.920 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.971 -13.888 -4.212 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.767 -12.719 -2.922 1.00 0.00 H new ATOM 1413 N ALA A 95 7.483 -13.768 -2.073 1.00 0.00 N ATOM 1414 CA ALA A 95 6.197 -14.180 -1.527 1.00 0.00 C ATOM 1415 C ALA A 95 5.055 -13.364 -2.147 1.00 0.00 C ATOM 1416 O ALA A 95 3.885 -13.581 -1.858 1.00 0.00 O ATOM 1417 CB ALA A 95 6.200 -14.065 -0.013 1.00 0.00 C ATOM 0 H ALA A 95 7.889 -12.947 -1.624 1.00 0.00 H new ATOM 0 HA ALA A 95 6.032 -15.226 -1.783 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.231 -14.377 0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 95 6.980 -14.705 0.399 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.390 -13.031 0.273 1.00 0.00 H new ATOM 1423 N LEU A 96 5.421 -12.487 -3.037 1.00 0.00 N ATOM 1424 CA LEU A 96 4.504 -11.600 -3.729 1.00 0.00 C ATOM 1425 C LEU A 96 3.751 -12.381 -4.797 1.00 0.00 C ATOM 1426 O LEU A 96 4.372 -13.055 -5.630 1.00 0.00 O ATOM 1427 CB LEU A 96 5.335 -10.515 -4.411 1.00 0.00 C ATOM 1428 CG LEU A 96 4.591 -9.374 -5.076 1.00 0.00 C ATOM 1429 CD1 LEU A 96 3.964 -8.461 -4.038 1.00 0.00 C ATOM 1430 CD2 LEU A 96 5.528 -8.610 -5.991 1.00 0.00 C ATOM 0 H LEU A 96 6.394 -12.358 -3.316 1.00 0.00 H new ATOM 0 HA LEU A 96 3.791 -11.167 -3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.007 -10.089 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.959 -10.994 -5.166 1.00 0.00 H new ATOM 0 HG LEU A 96 3.782 -9.784 -5.680 1.00 0.00 H new ATOM 0 HD11 LEU A 96 3.436 -7.650 -4.539 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.262 -9.030 -3.429 1.00 0.00 H new ATOM 0 HD13 LEU A 96 4.744 -8.046 -3.399 1.00 0.00 H new ATOM 0 HD21 LEU A 96 4.986 -7.792 -6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 96 6.357 -8.207 -5.409 1.00 0.00 H new ATOM 0 HD23 LEU A 96 5.915 -9.281 -6.758 1.00 0.00 H new ATOM 1442 N PRO A 97 2.410 -12.358 -4.757 1.00 0.00 N ATOM 1443 CA PRO A 97 1.601 -12.993 -5.772 1.00 0.00 C ATOM 1444 C PRO A 97 1.658 -12.212 -7.086 1.00 0.00 C ATOM 1445 O PRO A 97 1.967 -11.020 -7.103 1.00 0.00 O ATOM 1446 CB PRO A 97 0.194 -12.984 -5.188 1.00 0.00 C ATOM 1447 CG PRO A 97 0.185 -11.855 -4.235 1.00 0.00 C ATOM 1448 CD PRO A 97 1.585 -11.729 -3.706 1.00 0.00 C ATOM 0 HA PRO A 97 1.945 -13.999 -6.011 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.556 -12.849 -5.967 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -0.032 -13.925 -4.687 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.127 -10.934 -4.728 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.521 -12.038 -3.424 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.862 -10.687 -3.549 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.699 -12.237 -2.748 1.00 0.00 H new ATOM 1456 N ALA A 98 1.286 -12.876 -8.144 1.00 0.00 N ATOM 1457 CA ALA A 98 1.411 -12.385 -9.515 1.00 0.00 C ATOM 1458 C ALA A 98 0.644 -11.088 -9.766 1.00 0.00 C ATOM 1459 O ALA A 98 1.040 -10.243 -10.568 1.00 0.00 O ATOM 1460 CB ALA A 98 0.904 -13.456 -10.444 1.00 0.00 C ATOM 0 H ALA A 98 0.872 -13.807 -8.089 1.00 0.00 H new ATOM 0 HA ALA A 98 2.462 -12.160 -9.693 1.00 0.00 H new ATOM 0 HB1 ALA A 98 0.987 -13.112 -11.475 1.00 0.00 H new ATOM 0 HB2 ALA A 98 1.497 -14.361 -10.314 1.00 0.00 H new ATOM 0 HB3 ALA A 98 -0.140 -13.671 -10.216 1.00 0.00 H new ATOM 1466 N HIS A 99 -0.440 -10.942 -9.086 1.00 0.00 N ATOM 1467 CA HIS A 99 -1.306 -9.806 -9.279 1.00 0.00 C ATOM 1468 C HIS A 99 -0.951 -8.603 -8.403 1.00 0.00 C ATOM 1469 O HIS A 99 -1.449 -7.501 -8.640 1.00 0.00 O ATOM 1470 CB HIS A 99 -2.794 -10.214 -9.157 1.00 0.00 C ATOM 1471 CG HIS A 99 -3.075 -11.167 -8.049 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -3.291 -12.512 -8.223 1.00 0.00 N ATOM 1473 CD2 HIS A 99 -3.128 -10.949 -6.755 1.00 0.00 C ATOM 1474 CE1 HIS A 99 -3.461 -13.058 -7.029 1.00 0.00 C ATOM 1475 NE2 HIS A 99 -3.368 -12.142 -6.082 1.00 0.00 N ATOM 0 H HIS A 99 -0.761 -11.601 -8.377 1.00 0.00 H new ATOM 0 HA HIS A 99 -1.139 -9.461 -10.299 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -3.395 -9.316 -9.011 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -3.115 -10.662 -10.097 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -3.004 -9.985 -6.283 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -3.650 -14.107 -6.854 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -3.454 -12.280 -5.075 1.00 0.00 H new ATOM 1483 N VAL A 100 -0.068 -8.776 -7.427 1.00 0.00 N ATOM 1484 CA VAL A 100 0.284 -7.710 -6.583 1.00 0.00 C ATOM 1485 C VAL A 100 1.698 -7.257 -6.929 1.00 0.00 C ATOM 1486 O VAL A 100 2.545 -8.073 -7.261 1.00 0.00 O ATOM 1487 CB VAL A 100 0.193 -8.154 -5.109 1.00 0.00 C ATOM 1488 CG1 VAL A 100 0.569 -7.038 -4.207 1.00 0.00 C ATOM 1489 CG2 VAL A 100 -1.204 -8.636 -4.786 1.00 0.00 C ATOM 0 H VAL A 100 0.402 -9.658 -7.224 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.403 -6.876 -6.725 1.00 0.00 H new ATOM 0 HB VAL A 100 0.890 -8.978 -4.956 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.499 -7.369 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.591 -6.726 -4.420 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.107 -6.198 -4.366 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.250 -8.945 -3.742 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.916 -7.829 -4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.454 -9.482 -5.426 1.00 0.00 H new ATOM 1499 N ALA A 101 1.913 -5.971 -6.917 1.00 0.00 N ATOM 1500 CA ALA A 101 3.211 -5.405 -7.182 1.00 0.00 C ATOM 1501 C ALA A 101 3.746 -4.729 -5.924 1.00 0.00 C ATOM 1502 O ALA A 101 3.019 -4.559 -4.946 1.00 0.00 O ATOM 1503 CB ALA A 101 3.128 -4.405 -8.326 1.00 0.00 C ATOM 0 H ALA A 101 1.189 -5.279 -6.722 1.00 0.00 H new ATOM 0 HA ALA A 101 3.894 -6.204 -7.472 1.00 0.00 H new ATOM 0 HB1 ALA A 101 4.116 -3.985 -8.515 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.770 -4.908 -9.224 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.439 -3.604 -8.060 1.00 0.00 H new ATOM 1509 N ILE A 102 4.973 -4.301 -5.971 1.00 0.00 N ATOM 1510 CA ILE A 102 5.615 -3.668 -4.859 1.00 0.00 C ATOM 1511 C ILE A 102 5.931 -2.268 -5.264 1.00 0.00 C ATOM 1512 O ILE A 102 6.488 -2.065 -6.333 1.00 0.00 O ATOM 1513 CB ILE A 102 6.992 -4.300 -4.503 1.00 0.00 C ATOM 1514 CG1 ILE A 102 6.908 -5.799 -4.134 1.00 0.00 C ATOM 1515 CG2 ILE A 102 7.653 -3.468 -3.409 1.00 0.00 C ATOM 1516 CD1 ILE A 102 8.250 -6.417 -3.731 1.00 0.00 C ATOM 0 H ILE A 102 5.565 -4.384 -6.797 1.00 0.00 H new ATOM 0 HA ILE A 102 4.941 -3.762 -4.007 1.00 0.00 H new ATOM 0 HB ILE A 102 7.614 -4.278 -5.398 1.00 0.00 H new ATOM 0 HG12 ILE A 102 6.202 -5.922 -3.313 1.00 0.00 H new ATOM 0 HG13 ILE A 102 6.507 -6.350 -4.984 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.619 -3.904 -3.154 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.798 -2.448 -3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 102 7.015 -3.456 -2.525 1.00 0.00 H new ATOM 0 HD11 ILE A 102 8.107 -7.470 -3.487 1.00 0.00 H new ATOM 0 HD12 ILE A 102 8.954 -6.328 -4.558 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.645 -5.893 -2.860 1.00 0.00 H new ATOM 1528 N TRP A 103 5.601 -1.311 -4.468 1.00 0.00 N ATOM 1529 CA TRP A 103 6.080 0.024 -4.779 1.00 0.00 C ATOM 1530 C TRP A 103 6.907 0.539 -3.630 1.00 0.00 C ATOM 1531 O TRP A 103 6.774 0.059 -2.494 1.00 0.00 O ATOM 1532 CB TRP A 103 4.981 1.032 -5.084 1.00 0.00 C ATOM 1533 CG TRP A 103 4.011 0.687 -6.180 1.00 0.00 C ATOM 1534 CD1 TRP A 103 4.157 -0.203 -7.192 1.00 0.00 C ATOM 1535 CD2 TRP A 103 2.737 1.283 -6.356 1.00 0.00 C ATOM 1536 NE1 TRP A 103 3.042 -0.195 -7.982 1.00 0.00 N ATOM 1537 CE2 TRP A 103 2.154 0.714 -7.486 1.00 0.00 C ATOM 1538 CE3 TRP A 103 2.041 2.243 -5.652 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 0.887 1.075 -7.931 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 0.788 2.617 -6.087 1.00 0.00 C ATOM 1541 CH2 TRP A 103 0.220 2.031 -7.220 1.00 0.00 C ATOM 0 H TRP A 103 5.028 -1.401 -3.629 1.00 0.00 H new ATOM 0 HA TRP A 103 6.670 -0.075 -5.690 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.411 1.196 -4.169 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.455 1.980 -5.339 1.00 0.00 H new ATOM 0 HD1 TRP A 103 5.025 -0.826 -7.350 1.00 0.00 H new ATOM 0 HE1 TRP A 103 2.897 -0.775 -8.809 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.472 2.696 -4.771 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 0.448 0.617 -8.805 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 0.239 3.373 -5.545 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -0.764 2.339 -7.540 1.00 0.00 H new ATOM 1552 N LYS A 104 7.734 1.504 -3.901 1.00 0.00 N ATOM 1553 CA LYS A 104 8.538 2.096 -2.887 1.00 0.00 C ATOM 1554 C LYS A 104 7.906 3.393 -2.473 1.00 0.00 C ATOM 1555 O LYS A 104 7.752 4.313 -3.292 1.00 0.00 O ATOM 1556 CB LYS A 104 9.975 2.355 -3.371 1.00 0.00 C ATOM 1557 CG LYS A 104 10.910 2.874 -2.271 1.00 0.00 C ATOM 1558 CD LYS A 104 12.335 3.127 -2.772 1.00 0.00 C ATOM 1559 CE LYS A 104 12.402 4.266 -3.784 1.00 0.00 C ATOM 1560 NZ LYS A 104 13.794 4.544 -4.208 1.00 0.00 N ATOM 0 H LYS A 104 7.867 1.899 -4.832 1.00 0.00 H new ATOM 0 HA LYS A 104 8.596 1.406 -2.046 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.385 1.430 -3.778 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.950 3.078 -4.186 1.00 0.00 H new ATOM 0 HG2 LYS A 104 10.504 3.799 -1.863 1.00 0.00 H new ATOM 0 HG3 LYS A 104 10.940 2.152 -1.455 1.00 0.00 H new ATOM 0 HD2 LYS A 104 12.979 3.360 -1.924 1.00 0.00 H new ATOM 0 HD3 LYS A 104 12.724 2.216 -3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 104 11.800 4.013 -4.657 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.968 5.166 -3.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.798 5.324 -4.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 14.363 4.810 -3.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 14.200 3.693 -4.647 1.00 0.00 H new ATOM 1574 N ALA A 105 7.476 3.443 -1.246 1.00 0.00 N ATOM 1575 CA ALA A 105 6.966 4.659 -0.678 1.00 0.00 C ATOM 1576 C ALA A 105 8.153 5.553 -0.437 1.00 0.00 C ATOM 1577 O ALA A 105 8.991 5.269 0.421 1.00 0.00 O ATOM 1578 CB ALA A 105 6.221 4.383 0.619 1.00 0.00 C ATOM 0 H ALA A 105 7.468 2.645 -0.611 1.00 0.00 H new ATOM 0 HA ALA A 105 6.252 5.133 -1.352 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.845 5.320 1.029 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.385 3.711 0.423 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.898 3.919 1.336 1.00 0.00 H new ATOM 1584 N LEU A 106 8.267 6.564 -1.237 1.00 0.00 N ATOM 1585 CA LEU A 106 9.385 7.433 -1.198 1.00 0.00 C ATOM 1586 C LEU A 106 9.264 8.410 -0.055 1.00 0.00 C ATOM 1587 O LEU A 106 8.560 9.431 -0.150 1.00 0.00 O ATOM 1588 CB LEU A 106 9.535 8.166 -2.536 1.00 0.00 C ATOM 1589 CG LEU A 106 10.739 9.101 -2.666 1.00 0.00 C ATOM 1590 CD1 LEU A 106 12.030 8.317 -2.582 1.00 0.00 C ATOM 1591 CD2 LEU A 106 10.673 9.883 -3.963 1.00 0.00 C ATOM 0 H LEU A 106 7.573 6.808 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 106 10.282 6.837 -1.032 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.593 7.421 -3.329 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.630 8.748 -2.711 1.00 0.00 H new ATOM 0 HG LEU A 106 10.712 9.811 -1.839 1.00 0.00 H new ATOM 0 HD11 LEU A 106 12.876 8.998 -2.676 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.082 7.804 -1.622 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.063 7.583 -3.387 1.00 0.00 H new ATOM 0 HD21 LEU A 106 11.539 10.542 -4.035 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.672 9.191 -4.805 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.761 10.479 -3.982 1.00 0.00 H new ATOM 1748 N PHE A 117 16.348 0.105 -1.714 1.00 0.00 N ATOM 1749 CA PHE A 117 15.195 -0.723 -1.829 1.00 0.00 C ATOM 1750 C PHE A 117 14.823 -0.683 -3.291 1.00 0.00 C ATOM 1751 O PHE A 117 14.177 0.252 -3.756 1.00 0.00 O ATOM 1752 CB PHE A 117 14.064 -0.139 -0.952 1.00 0.00 C ATOM 1753 CG PHE A 117 14.574 0.343 0.389 1.00 0.00 C ATOM 1754 CD1 PHE A 117 15.045 -0.556 1.322 1.00 0.00 C ATOM 1755 CD2 PHE A 117 14.642 1.701 0.677 1.00 0.00 C ATOM 1756 CE1 PHE A 117 15.568 -0.122 2.527 1.00 0.00 C ATOM 1757 CE2 PHE A 117 15.171 2.145 1.877 1.00 0.00 C ATOM 1758 CZ PHE A 117 15.635 1.231 2.803 1.00 0.00 C ATOM 0 HA PHE A 117 15.370 -1.746 -1.496 1.00 0.00 H new ATOM 0 HB2 PHE A 117 13.589 0.689 -1.478 1.00 0.00 H new ATOM 0 HB3 PHE A 117 13.298 -0.899 -0.796 1.00 0.00 H new ATOM 0 HD1 PHE A 117 15.005 -1.614 1.109 1.00 0.00 H new ATOM 0 HD2 PHE A 117 14.278 2.418 -0.044 1.00 0.00 H new ATOM 0 HE1 PHE A 117 15.924 -0.840 3.252 1.00 0.00 H new ATOM 0 HE2 PHE A 117 15.221 3.203 2.088 1.00 0.00 H new ATOM 0 HZ PHE A 117 16.049 1.572 3.740 1.00 0.00 H new ATOM 1768 N GLN A 118 15.301 -1.639 -4.024 1.00 0.00 N ATOM 1769 CA GLN A 118 15.129 -1.643 -5.459 1.00 0.00 C ATOM 1770 C GLN A 118 14.277 -2.797 -5.912 1.00 0.00 C ATOM 1771 O GLN A 118 13.786 -3.578 -5.079 1.00 0.00 O ATOM 1772 CB GLN A 118 16.488 -1.645 -6.181 1.00 0.00 C ATOM 1773 CG GLN A 118 17.422 -2.789 -5.787 1.00 0.00 C ATOM 1774 CD GLN A 118 18.722 -2.799 -6.586 1.00 0.00 C ATOM 1775 OE1 GLN A 118 19.770 -3.185 -6.081 1.00 0.00 O ATOM 1776 NE2 GLN A 118 18.650 -2.453 -7.845 1.00 0.00 N ATOM 0 H GLN A 118 15.819 -2.437 -3.657 1.00 0.00 H new ATOM 0 HA GLN A 118 14.606 -0.725 -5.726 1.00 0.00 H new ATOM 0 HB2 GLN A 118 16.312 -1.692 -7.256 1.00 0.00 H new ATOM 0 HB3 GLN A 118 16.991 -0.699 -5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 118 17.655 -2.711 -4.725 1.00 0.00 H new ATOM 0 HG3 GLN A 118 16.906 -3.738 -5.931 1.00 0.00 H new ATOM 0 HE21 GLN A 118 17.763 -2.136 -8.237 1.00 0.00 H new ATOM 0 HE22 GLN A 118 19.481 -2.500 -8.435 1.00 0.00 H new ATOM 1785 N HIS A 119 14.095 -2.886 -7.229 1.00 0.00 N ATOM 1786 CA HIS A 119 13.281 -3.899 -7.902 1.00 0.00 C ATOM 1787 C HIS A 119 11.820 -3.694 -7.499 1.00 0.00 C ATOM 1788 O HIS A 119 10.999 -4.609 -7.467 1.00 0.00 O ATOM 1789 CB HIS A 119 13.802 -5.330 -7.616 1.00 0.00 C ATOM 1790 CG HIS A 119 13.340 -6.385 -8.593 1.00 0.00 C ATOM 1791 ND1 HIS A 119 14.117 -6.855 -9.630 1.00 0.00 N ATOM 1792 CD2 HIS A 119 12.172 -7.066 -8.672 1.00 0.00 C ATOM 1793 CE1 HIS A 119 13.415 -7.776 -10.292 1.00 0.00 C ATOM 1794 NE2 HIS A 119 12.221 -7.943 -9.747 1.00 0.00 N ATOM 0 H HIS A 119 14.526 -2.231 -7.881 1.00 0.00 H new ATOM 0 HA HIS A 119 13.356 -3.783 -8.983 1.00 0.00 H new ATOM 0 HB2 HIS A 119 14.892 -5.310 -7.615 1.00 0.00 H new ATOM 0 HB3 HIS A 119 13.487 -5.621 -6.614 1.00 0.00 H new ATOM 0 HD2 HIS A 119 11.333 -6.946 -8.003 1.00 0.00 H new ATOM 0 HE1 HIS A 119 13.773 -8.314 -11.157 1.00 0.00 H new ATOM 0 HE2 HIS A 119 11.488 -8.583 -10.053 1.00 0.00 H new ATOM 1802 N VAL A 120 11.519 -2.459 -7.198 1.00 0.00 N ATOM 1803 CA VAL A 120 10.186 -2.056 -6.908 1.00 0.00 C ATOM 1804 C VAL A 120 9.540 -1.711 -8.218 1.00 0.00 C ATOM 1805 O VAL A 120 10.228 -1.297 -9.165 1.00 0.00 O ATOM 1806 CB VAL A 120 10.130 -0.864 -5.914 1.00 0.00 C ATOM 1807 CG1 VAL A 120 10.706 -1.292 -4.569 1.00 0.00 C ATOM 1808 CG2 VAL A 120 10.891 0.348 -6.457 1.00 0.00 C ATOM 0 H VAL A 120 12.204 -1.705 -7.149 1.00 0.00 H new ATOM 0 HA VAL A 120 9.652 -2.867 -6.412 1.00 0.00 H new ATOM 0 HB VAL A 120 9.088 -0.571 -5.785 1.00 0.00 H new ATOM 0 HG11 VAL A 120 10.666 -0.454 -3.873 1.00 0.00 H new ATOM 0 HG12 VAL A 120 10.123 -2.123 -4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.742 -1.606 -4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.833 1.166 -5.739 1.00 0.00 H new ATOM 0 HG22 VAL A 120 11.935 0.080 -6.618 1.00 0.00 H new ATOM 0 HG23 VAL A 120 10.447 0.663 -7.401 1.00 0.00 H new ATOM 1818 N ASP A 121 8.271 -1.896 -8.305 1.00 0.00 N ATOM 1819 CA ASP A 121 7.592 -1.706 -9.571 1.00 0.00 C ATOM 1820 C ASP A 121 7.404 -0.234 -9.872 1.00 0.00 C ATOM 1821 O ASP A 121 7.628 0.224 -10.988 1.00 0.00 O ATOM 1822 CB ASP A 121 6.260 -2.450 -9.608 1.00 0.00 C ATOM 1823 CG ASP A 121 5.589 -2.331 -10.947 1.00 0.00 C ATOM 1824 OD1 ASP A 121 6.113 -2.906 -11.931 1.00 0.00 O ATOM 1825 OD2 ASP A 121 4.552 -1.638 -11.047 1.00 0.00 O ATOM 0 H ASP A 121 7.671 -2.177 -7.530 1.00 0.00 H new ATOM 0 HA ASP A 121 8.225 -2.130 -10.351 1.00 0.00 H new ATOM 0 HB2 ASP A 121 6.425 -3.502 -9.377 1.00 0.00 H new ATOM 0 HB3 ASP A 121 5.601 -2.054 -8.835 1.00 0.00 H new ATOM 1830 N LYS A 122 7.052 0.504 -8.861 1.00 0.00 N ATOM 1831 CA LYS A 122 6.818 1.934 -8.969 1.00 0.00 C ATOM 1832 C LYS A 122 7.310 2.570 -7.694 1.00 0.00 C ATOM 1833 O LYS A 122 7.541 1.869 -6.701 1.00 0.00 O ATOM 1834 CB LYS A 122 5.305 2.245 -9.120 1.00 0.00 C ATOM 1835 CG LYS A 122 4.610 1.623 -10.323 1.00 0.00 C ATOM 1836 CD LYS A 122 5.027 2.252 -11.629 1.00 0.00 C ATOM 1837 CE LYS A 122 4.377 1.535 -12.797 1.00 0.00 C ATOM 1838 NZ LYS A 122 4.911 0.165 -12.971 1.00 0.00 N ATOM 0 H LYS A 122 6.914 0.135 -7.920 1.00 0.00 H new ATOM 0 HA LYS A 122 7.338 2.320 -9.846 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.794 1.910 -8.217 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.181 3.327 -9.173 1.00 0.00 H new ATOM 0 HG2 LYS A 122 4.830 0.556 -10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 122 3.531 1.723 -10.205 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.745 3.305 -11.639 1.00 0.00 H new ATOM 0 HD3 LYS A 122 6.112 2.212 -11.728 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.300 1.487 -12.639 1.00 0.00 H new ATOM 0 HE3 LYS A 122 4.540 2.107 -13.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 4.670 -0.183 -13.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.945 0.179 -12.859 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.494 -0.464 -12.255 1.00 0.00 H new ATOM 1852 N TYR A 123 7.522 3.838 -7.708 1.00 0.00 N ATOM 1853 CA TYR A 123 7.818 4.542 -6.504 1.00 0.00 C ATOM 1854 C TYR A 123 6.849 5.697 -6.408 1.00 0.00 C ATOM 1855 O TYR A 123 6.542 6.346 -7.415 1.00 0.00 O ATOM 1856 CB TYR A 123 9.291 4.979 -6.409 1.00 0.00 C ATOM 1857 CG TYR A 123 9.663 6.102 -7.300 1.00 0.00 C ATOM 1858 CD1 TYR A 123 9.975 5.895 -8.622 1.00 0.00 C ATOM 1859 CD2 TYR A 123 9.681 7.382 -6.809 1.00 0.00 C ATOM 1860 CE1 TYR A 123 10.300 6.943 -9.433 1.00 0.00 C ATOM 1861 CE2 TYR A 123 10.000 8.430 -7.596 1.00 0.00 C ATOM 1862 CZ TYR A 123 10.313 8.217 -8.919 1.00 0.00 C ATOM 1863 OH TYR A 123 10.648 9.278 -9.729 1.00 0.00 O ATOM 0 H TYR A 123 7.496 4.417 -8.547 1.00 0.00 H new ATOM 0 HA TYR A 123 7.689 3.881 -5.647 1.00 0.00 H new ATOM 0 HB2 TYR A 123 9.505 5.264 -5.379 1.00 0.00 H new ATOM 0 HB3 TYR A 123 9.925 4.123 -6.641 1.00 0.00 H new ATOM 0 HD1 TYR A 123 9.963 4.892 -9.023 1.00 0.00 H new ATOM 0 HD2 TYR A 123 9.435 7.555 -5.772 1.00 0.00 H new ATOM 0 HE1 TYR A 123 10.545 6.772 -10.471 1.00 0.00 H new ATOM 0 HE2 TYR A 123 10.010 9.431 -7.190 1.00 0.00 H new ATOM 0 HH TYR A 123 10.608 10.110 -9.212 1.00 0.00 H new ATOM 1873 N VAL A 124 6.352 5.935 -5.242 1.00 0.00 N ATOM 1874 CA VAL A 124 5.295 6.909 -5.032 1.00 0.00 C ATOM 1875 C VAL A 124 5.589 7.729 -3.803 1.00 0.00 C ATOM 1876 O VAL A 124 6.511 7.410 -3.069 1.00 0.00 O ATOM 1877 CB VAL A 124 3.897 6.226 -4.881 1.00 0.00 C ATOM 1878 CG1 VAL A 124 3.444 5.591 -6.191 1.00 0.00 C ATOM 1879 CG2 VAL A 124 3.915 5.179 -3.765 1.00 0.00 C ATOM 0 H VAL A 124 6.659 5.464 -4.391 1.00 0.00 H new ATOM 0 HA VAL A 124 5.262 7.553 -5.911 1.00 0.00 H new ATOM 0 HB VAL A 124 3.182 7.005 -4.615 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.469 5.125 -6.051 1.00 0.00 H new ATOM 0 HG12 VAL A 124 3.372 6.358 -6.962 1.00 0.00 H new ATOM 0 HG13 VAL A 124 4.167 4.835 -6.498 1.00 0.00 H new ATOM 0 HG21 VAL A 124 2.930 4.719 -3.681 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.655 4.413 -3.997 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.173 5.658 -2.821 1.00 0.00 H new ATOM 1889 N LEU A 125 4.816 8.766 -3.583 1.00 0.00 N ATOM 1890 CA LEU A 125 5.010 9.638 -2.441 1.00 0.00 C ATOM 1891 C LEU A 125 4.604 8.929 -1.147 1.00 0.00 C ATOM 1892 O LEU A 125 3.624 8.165 -1.124 1.00 0.00 O ATOM 1893 CB LEU A 125 4.211 10.944 -2.623 1.00 0.00 C ATOM 1894 CG LEU A 125 4.346 11.998 -1.509 1.00 0.00 C ATOM 1895 CD1 LEU A 125 5.788 12.473 -1.374 1.00 0.00 C ATOM 1896 CD2 LEU A 125 3.421 13.175 -1.781 1.00 0.00 C ATOM 0 H LEU A 125 4.037 9.031 -4.186 1.00 0.00 H new ATOM 0 HA LEU A 125 6.068 9.889 -2.372 1.00 0.00 H new ATOM 0 HB2 LEU A 125 4.517 11.402 -3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.156 10.687 -2.722 1.00 0.00 H new ATOM 0 HG LEU A 125 4.056 11.534 -0.566 1.00 0.00 H new ATOM 0 HD11 LEU A 125 5.853 13.217 -0.580 1.00 0.00 H new ATOM 0 HD12 LEU A 125 6.429 11.626 -1.131 1.00 0.00 H new ATOM 0 HD13 LEU A 125 6.114 12.917 -2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 125 3.527 13.912 -0.985 1.00 0.00 H new ATOM 0 HD22 LEU A 125 3.683 13.631 -2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.389 12.826 -1.817 1.00 0.00 H new