USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 711 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 37 ASN : amide:sc= -0.0335 X(o=-0.043,f=-0.4) USER MOD Set 1.2: A 70 LYS NZ :NH3+ 160:sc=-0.00925 (180deg=-0.246) USER MOD Set 2.1: A 53 ASN : amide:sc= -0.0386 K(o=-1.4,f=-4.2) USER MOD Set 2.2: A 73 ASN :FLIP amide:sc= -1.4 F(o=-5.6!,f=-1.4) USER MOD Single : A 3 GLN : amide:sc= 0.132 X(o=0.13,f=0) USER MOD Single : A 5 ASN : amide:sc= -0.0363 X(o=-0.036,f=0) USER MOD Single : A 8 LYS NZ :NH3+ -154:sc= 0.153 (180deg=0.0489) USER MOD Single : A 9 SER OG : rot 23:sc= -1.26! USER MOD Single : A 12 LYS NZ :NH3+ -151:sc= 0.0957 (180deg=-0.378) USER MOD Single : A 13 LYS NZ :NH3+ 152:sc= -0.163 (180deg=-1.27!) USER MOD Single : A 14 HIS : no HD1:sc= -1.82 X(o=-1.8,f=-1.6) USER MOD Single : A 15 TYR OH : rot 180:sc= -0.575 USER MOD Single : A 17 LYS NZ :NH3+ 158:sc= -1.06 (180deg=-1.85) USER MOD Single : A 18 THR OG1 : rot 180:sc= -0.0247 USER MOD Single : A 22 HIS : no HD1:sc= -2.07 X(o=-2.1,f=-1.8) USER MOD Single : A 24 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0409) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 148:sc= -0.248 (180deg=-1.51!) USER MOD Single : A 30 ASN : amide:sc= -2.42! C(o=-2.4!,f=-5.4!) USER MOD Single : A 35 LYS NZ :NH3+ -149:sc= -0.148 (180deg=-0.809) USER MOD Single : A 36 ASN : amide:sc= -1.79! C(o=-1.8!,f=-3.5!) USER MOD Single : A 45 ASN :FLIP amide:sc= -7.43! C(o=-8!,f=-7.4!) USER MOD Single : A 50 ASN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.204 K(o=-0.2,f=-2.8!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.171 USER MOD Single : A 60 HIS : no HD1:sc= -0.834 K(o=-0.83,f=-2.6) USER MOD Single : A 64 SER OG : rot 170:sc= -0.611! USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot -47:sc= -0.173! USER MOD Single : A 76 ASN : amide:sc= -5.78! C(o=-5.8!,f=-20!) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 ASN : amide:sc= -0.987 K(o=-0.99,f=-2.4!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 18 N GLU A 2 -10.803 12.808 -6.082 1.00 0.00 N ATOM 19 CA GLU A 2 -11.399 11.508 -5.785 1.00 0.00 C ATOM 20 C GLU A 2 -10.330 10.421 -5.775 1.00 0.00 C ATOM 21 O GLU A 2 -10.439 9.437 -5.044 1.00 0.00 O ATOM 22 CB GLU A 2 -12.469 11.171 -6.827 1.00 0.00 C ATOM 23 CG GLU A 2 -11.847 11.172 -8.226 1.00 0.00 C ATOM 24 CD GLU A 2 -12.944 11.264 -9.282 1.00 0.00 C ATOM 25 OE1 GLU A 2 -13.699 12.221 -9.241 1.00 0.00 O ATOM 26 OE2 GLU A 2 -13.013 10.374 -10.115 1.00 0.00 O ATOM 0 HA GLU A 2 -11.860 11.556 -4.799 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -12.904 10.195 -6.613 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -13.279 11.898 -6.778 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -11.161 12.013 -8.328 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -11.263 10.264 -8.374 1.00 0.00 H new ATOM 33 N GLN A 3 -9.296 10.610 -6.586 1.00 0.00 N ATOM 34 CA GLN A 3 -8.200 9.649 -6.667 1.00 0.00 C ATOM 35 C GLN A 3 -7.820 9.139 -5.283 1.00 0.00 C ATOM 36 O GLN A 3 -8.128 8.004 -4.922 1.00 0.00 O ATOM 37 CB GLN A 3 -6.982 10.319 -7.309 1.00 0.00 C ATOM 38 CG GLN A 3 -5.969 9.251 -7.725 1.00 0.00 C ATOM 39 CD GLN A 3 -4.791 9.903 -8.441 1.00 0.00 C ATOM 40 OE1 GLN A 3 -4.395 9.457 -9.518 1.00 0.00 O ATOM 41 NE2 GLN A 3 -4.205 10.938 -7.904 1.00 0.00 N ATOM 0 H GLN A 3 -9.192 11.420 -7.197 1.00 0.00 H new ATOM 0 HA GLN A 3 -8.527 8.804 -7.272 1.00 0.00 H new ATOM 0 HB2 GLN A 3 -7.290 10.901 -8.178 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -6.524 11.015 -6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -5.617 8.709 -6.847 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -6.445 8.521 -8.380 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -4.535 11.305 -7.012 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -3.417 11.380 -8.377 1.00 0.00 H new ATOM 50 N PHE A 4 -7.149 9.988 -4.513 1.00 0.00 N ATOM 51 CA PHE A 4 -6.730 9.615 -3.167 1.00 0.00 C ATOM 52 C PHE A 4 -7.864 8.891 -2.453 1.00 0.00 C ATOM 53 O PHE A 4 -7.667 7.822 -1.881 1.00 0.00 O ATOM 54 CB PHE A 4 -6.330 10.867 -2.369 1.00 0.00 C ATOM 55 CG PHE A 4 -6.080 12.021 -3.314 1.00 0.00 C ATOM 56 CD1 PHE A 4 -6.821 13.205 -3.188 1.00 0.00 C ATOM 57 CD2 PHE A 4 -5.110 11.908 -4.316 1.00 0.00 C ATOM 58 CE1 PHE A 4 -6.589 14.272 -4.062 1.00 0.00 C ATOM 59 CE2 PHE A 4 -4.879 12.976 -5.192 1.00 0.00 C ATOM 60 CZ PHE A 4 -5.618 14.158 -5.064 1.00 0.00 C ATOM 0 H PHE A 4 -6.885 10.932 -4.795 1.00 0.00 H new ATOM 0 HA PHE A 4 -5.869 8.951 -3.239 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -7.120 11.127 -1.664 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -5.433 10.665 -1.783 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -7.571 13.293 -2.416 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.539 10.997 -4.414 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -7.159 15.184 -3.964 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.131 12.888 -5.966 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.439 14.982 -5.738 1.00 0.00 H new ATOM 70 N ASN A 5 -9.049 9.480 -2.498 1.00 0.00 N ATOM 71 CA ASN A 5 -10.209 8.880 -1.853 1.00 0.00 C ATOM 72 C ASN A 5 -10.512 7.514 -2.461 1.00 0.00 C ATOM 73 O ASN A 5 -11.080 6.645 -1.800 1.00 0.00 O ATOM 74 CB ASN A 5 -11.425 9.794 -2.008 1.00 0.00 C ATOM 75 CG ASN A 5 -12.547 9.331 -1.084 1.00 0.00 C ATOM 76 OD1 ASN A 5 -13.637 8.997 -1.549 1.00 0.00 O ATOM 77 ND2 ASN A 5 -12.344 9.291 0.204 1.00 0.00 N ATOM 0 H ASN A 5 -9.233 10.365 -2.970 1.00 0.00 H new ATOM 0 HA ASN A 5 -9.987 8.752 -0.794 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -11.150 10.822 -1.773 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -11.768 9.785 -3.043 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -13.089 8.982 0.828 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -11.440 9.568 0.587 1.00 0.00 H new ATOM 84 N ALA A 6 -10.136 7.331 -3.724 1.00 0.00 N ATOM 85 CA ALA A 6 -10.383 6.066 -4.407 1.00 0.00 C ATOM 86 C ALA A 6 -9.299 5.043 -4.067 1.00 0.00 C ATOM 87 O ALA A 6 -9.582 3.999 -3.475 1.00 0.00 O ATOM 88 CB ALA A 6 -10.430 6.295 -5.920 1.00 0.00 C ATOM 0 H ALA A 6 -9.664 8.036 -4.290 1.00 0.00 H new ATOM 0 HA ALA A 6 -11.342 5.673 -4.070 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -10.615 5.347 -6.426 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -11.231 6.995 -6.157 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -9.478 6.706 -6.256 1.00 0.00 H new ATOM 94 N PHE A 7 -8.059 5.347 -4.437 1.00 0.00 N ATOM 95 CA PHE A 7 -6.950 4.441 -4.160 1.00 0.00 C ATOM 96 C PHE A 7 -6.882 4.144 -2.662 1.00 0.00 C ATOM 97 O PHE A 7 -6.702 2.997 -2.253 1.00 0.00 O ATOM 98 CB PHE A 7 -5.629 5.063 -4.651 1.00 0.00 C ATOM 99 CG PHE A 7 -4.582 5.012 -3.560 1.00 0.00 C ATOM 100 CD1 PHE A 7 -3.625 3.991 -3.554 1.00 0.00 C ATOM 101 CD2 PHE A 7 -4.570 5.988 -2.557 1.00 0.00 C ATOM 102 CE1 PHE A 7 -2.655 3.945 -2.545 1.00 0.00 C ATOM 103 CE2 PHE A 7 -3.600 5.944 -1.547 1.00 0.00 C ATOM 104 CZ PHE A 7 -2.643 4.921 -1.541 1.00 0.00 C ATOM 0 H PHE A 7 -7.798 6.204 -4.924 1.00 0.00 H new ATOM 0 HA PHE A 7 -7.110 3.503 -4.692 1.00 0.00 H new ATOM 0 HB2 PHE A 7 -5.273 4.527 -5.531 1.00 0.00 H new ATOM 0 HB3 PHE A 7 -5.797 6.096 -4.954 1.00 0.00 H new ATOM 0 HD1 PHE A 7 -3.635 3.238 -4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 7 -5.309 6.776 -2.562 1.00 0.00 H new ATOM 0 HE1 PHE A 7 -1.916 3.157 -2.541 1.00 0.00 H new ATOM 0 HE2 PHE A 7 -3.590 6.698 -0.774 1.00 0.00 H new ATOM 0 HZ PHE A 7 -1.896 4.885 -0.762 1.00 0.00 H new ATOM 114 N LYS A 8 -7.030 5.187 -1.854 1.00 0.00 N ATOM 115 CA LYS A 8 -6.986 5.037 -0.405 1.00 0.00 C ATOM 116 C LYS A 8 -8.160 4.203 0.099 1.00 0.00 C ATOM 117 O LYS A 8 -7.996 3.331 0.960 1.00 0.00 O ATOM 118 CB LYS A 8 -7.028 6.413 0.262 1.00 0.00 C ATOM 119 CG LYS A 8 -6.646 6.279 1.740 1.00 0.00 C ATOM 120 CD LYS A 8 -7.059 7.544 2.499 1.00 0.00 C ATOM 121 CE LYS A 8 -6.624 8.788 1.717 1.00 0.00 C ATOM 122 NZ LYS A 8 -6.627 9.971 2.624 1.00 0.00 N ATOM 0 H LYS A 8 -7.181 6.143 -2.176 1.00 0.00 H new ATOM 0 HA LYS A 8 -6.058 4.526 -0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -6.341 7.094 -0.241 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -8.026 6.842 0.171 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -7.136 5.407 2.174 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -5.572 6.121 1.835 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -8.139 7.555 2.644 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -6.604 7.549 3.489 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.628 8.639 1.300 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -7.299 8.958 0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -6.772 10.836 2.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -7.396 9.874 3.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.716 10.029 3.122 1.00 0.00 H new ATOM 136 N SER A 9 -9.354 4.477 -0.418 1.00 0.00 N ATOM 137 CA SER A 9 -10.521 3.738 0.034 1.00 0.00 C ATOM 138 C SER A 9 -10.298 2.250 -0.197 1.00 0.00 C ATOM 139 O SER A 9 -10.878 1.410 0.491 1.00 0.00 O ATOM 140 CB SER A 9 -11.784 4.216 -0.684 1.00 0.00 C ATOM 141 OG SER A 9 -11.510 4.353 -2.073 1.00 0.00 O ATOM 0 H SER A 9 -9.534 5.185 -1.130 1.00 0.00 H new ATOM 0 HA SER A 9 -10.662 3.917 1.100 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.595 3.505 -0.530 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.113 5.169 -0.270 1.00 0.00 H new ATOM 0 HG SER A 9 -10.749 3.784 -2.314 1.00 0.00 H new ATOM 147 N LEU A 10 -9.433 1.933 -1.159 1.00 0.00 N ATOM 148 CA LEU A 10 -9.116 0.543 -1.453 1.00 0.00 C ATOM 149 C LEU A 10 -8.429 -0.079 -0.242 1.00 0.00 C ATOM 150 O LEU A 10 -8.709 -1.219 0.128 1.00 0.00 O ATOM 151 CB LEU A 10 -8.200 0.451 -2.682 1.00 0.00 C ATOM 152 CG LEU A 10 -8.457 -0.858 -3.443 1.00 0.00 C ATOM 153 CD1 LEU A 10 -7.395 -1.035 -4.533 1.00 0.00 C ATOM 154 CD2 LEU A 10 -8.388 -2.046 -2.479 1.00 0.00 C ATOM 0 H LEU A 10 -8.945 2.614 -1.741 1.00 0.00 H new ATOM 0 HA LEU A 10 -10.037 0.002 -1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -8.376 1.302 -3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -7.157 0.499 -2.371 1.00 0.00 H new ATOM 0 HG LEU A 10 -9.448 -0.815 -3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -7.578 -1.964 -5.072 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -7.444 -0.197 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -6.406 -1.070 -4.075 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -8.571 -2.970 -3.027 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -7.400 -2.086 -2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -9.144 -1.929 -1.702 1.00 0.00 H new ATOM 166 N LEU A 11 -7.535 0.687 0.382 1.00 0.00 N ATOM 167 CA LEU A 11 -6.830 0.199 1.560 1.00 0.00 C ATOM 168 C LEU A 11 -7.837 -0.165 2.640 1.00 0.00 C ATOM 169 O LEU A 11 -7.770 -1.249 3.214 1.00 0.00 O ATOM 170 CB LEU A 11 -5.858 1.260 2.091 1.00 0.00 C ATOM 171 CG LEU A 11 -4.582 1.282 1.238 1.00 0.00 C ATOM 172 CD1 LEU A 11 -3.866 2.621 1.432 1.00 0.00 C ATOM 173 CD2 LEU A 11 -3.647 0.143 1.666 1.00 0.00 C ATOM 0 H LEU A 11 -7.286 1.634 0.095 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.255 -0.684 1.282 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -6.333 2.241 2.073 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.606 1.046 3.130 1.00 0.00 H new ATOM 0 HG LEU A 11 -4.850 1.153 0.189 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.959 2.640 0.827 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.524 3.433 1.124 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.604 2.745 2.483 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.744 0.165 1.056 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.379 0.267 2.715 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.153 -0.813 1.531 1.00 0.00 H new ATOM 185 N LYS A 12 -8.785 0.733 2.905 1.00 0.00 N ATOM 186 CA LYS A 12 -9.807 0.456 3.917 1.00 0.00 C ATOM 187 C LYS A 12 -10.190 -1.023 3.881 1.00 0.00 C ATOM 188 O LYS A 12 -10.058 -1.736 4.875 1.00 0.00 O ATOM 189 CB LYS A 12 -11.049 1.314 3.663 1.00 0.00 C ATOM 190 CG LYS A 12 -11.999 1.198 4.857 1.00 0.00 C ATOM 191 CD LYS A 12 -13.203 2.118 4.645 1.00 0.00 C ATOM 192 CE LYS A 12 -14.242 1.860 5.738 1.00 0.00 C ATOM 193 NZ LYS A 12 -14.877 0.530 5.515 1.00 0.00 N ATOM 0 H LYS A 12 -8.868 1.640 2.445 1.00 0.00 H new ATOM 0 HA LYS A 12 -9.401 0.699 4.899 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -10.761 2.355 3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.550 0.987 2.752 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -12.332 0.166 4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -11.479 1.468 5.776 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -12.886 3.161 4.669 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -13.641 1.940 3.663 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.768 1.889 6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.000 2.643 5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -15.847 0.542 5.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -14.901 0.323 4.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -14.326 -0.204 6.005 1.00 0.00 H new ATOM 207 N LYS A 13 -10.636 -1.479 2.715 1.00 0.00 N ATOM 208 CA LYS A 13 -11.006 -2.878 2.532 1.00 0.00 C ATOM 209 C LYS A 13 -9.878 -3.787 3.014 1.00 0.00 C ATOM 210 O LYS A 13 -10.111 -4.791 3.688 1.00 0.00 O ATOM 211 CB LYS A 13 -11.271 -3.140 1.045 1.00 0.00 C ATOM 212 CG LYS A 13 -12.692 -2.686 0.685 1.00 0.00 C ATOM 213 CD LYS A 13 -13.704 -3.781 1.061 1.00 0.00 C ATOM 214 CE LYS A 13 -14.977 -3.142 1.622 1.00 0.00 C ATOM 215 NZ LYS A 13 -15.349 -1.964 0.789 1.00 0.00 N ATOM 0 H LYS A 13 -10.750 -0.900 1.883 1.00 0.00 H new ATOM 0 HA LYS A 13 -11.905 -3.089 3.112 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -10.543 -2.605 0.436 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -11.151 -4.201 0.826 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.932 -1.762 1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -12.755 -2.472 -0.382 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.944 -4.383 0.185 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -13.268 -4.453 1.800 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.790 -3.868 1.627 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -14.818 -2.834 2.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -16.378 -1.819 0.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -14.865 -1.117 1.150 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.064 -2.132 -0.197 1.00 0.00 H new ATOM 229 N HIS A 14 -8.656 -3.415 2.659 1.00 0.00 N ATOM 230 CA HIS A 14 -7.470 -4.174 3.044 1.00 0.00 C ATOM 231 C HIS A 14 -7.219 -4.090 4.547 1.00 0.00 C ATOM 232 O HIS A 14 -7.284 -5.095 5.254 1.00 0.00 O ATOM 233 CB HIS A 14 -6.255 -3.616 2.304 1.00 0.00 C ATOM 234 CG HIS A 14 -5.073 -4.518 2.531 1.00 0.00 C ATOM 235 ND1 HIS A 14 -5.215 -5.827 2.963 1.00 0.00 N ATOM 236 CD2 HIS A 14 -3.723 -4.313 2.391 1.00 0.00 C ATOM 237 CE1 HIS A 14 -3.982 -6.356 3.066 1.00 0.00 C ATOM 238 NE2 HIS A 14 -3.036 -5.476 2.731 1.00 0.00 N ATOM 0 H HIS A 14 -8.457 -2.585 2.100 1.00 0.00 H new ATOM 0 HA HIS A 14 -7.634 -5.219 2.781 1.00 0.00 H new ATOM 0 HB2 HIS A 14 -6.468 -3.540 1.238 1.00 0.00 H new ATOM 0 HB3 HIS A 14 -6.031 -2.609 2.657 1.00 0.00 H new ATOM 0 HD2 HIS A 14 -3.264 -3.391 2.067 1.00 0.00 H new ATOM 0 HE1 HIS A 14 -3.782 -7.369 3.381 1.00 0.00 H new ATOM 0 HE2 HIS A 14 -2.027 -5.623 2.725 1.00 0.00 H new ATOM 247 N TYR A 15 -6.917 -2.886 5.024 1.00 0.00 N ATOM 248 CA TYR A 15 -6.640 -2.670 6.439 1.00 0.00 C ATOM 249 C TYR A 15 -7.932 -2.629 7.248 1.00 0.00 C ATOM 250 O TYR A 15 -7.976 -2.045 8.330 1.00 0.00 O ATOM 251 CB TYR A 15 -5.883 -1.346 6.616 1.00 0.00 C ATOM 252 CG TYR A 15 -4.401 -1.565 6.397 1.00 0.00 C ATOM 253 CD1 TYR A 15 -3.483 -1.203 7.391 1.00 0.00 C ATOM 254 CD2 TYR A 15 -3.946 -2.126 5.198 1.00 0.00 C ATOM 255 CE1 TYR A 15 -2.112 -1.403 7.184 1.00 0.00 C ATOM 256 CE2 TYR A 15 -2.575 -2.325 4.992 1.00 0.00 C ATOM 257 CZ TYR A 15 -1.659 -1.964 5.986 1.00 0.00 C ATOM 258 OH TYR A 15 -0.307 -2.159 5.784 1.00 0.00 O ATOM 0 H TYR A 15 -6.858 -2.045 4.450 1.00 0.00 H new ATOM 0 HA TYR A 15 -6.032 -3.498 6.802 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -6.258 -0.606 5.909 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -6.057 -0.949 7.616 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -3.832 -0.770 8.317 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.653 -2.406 4.431 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -1.404 -1.124 7.950 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -2.225 -2.757 4.066 1.00 0.00 H new ATOM 0 HH TYR A 15 -0.162 -2.559 4.901 1.00 0.00 H new ATOM 268 N GLU A 16 -8.982 -3.252 6.726 1.00 0.00 N ATOM 269 CA GLU A 16 -10.262 -3.274 7.427 1.00 0.00 C ATOM 270 C GLU A 16 -10.059 -3.632 8.896 1.00 0.00 C ATOM 271 O GLU A 16 -10.334 -2.827 9.785 1.00 0.00 O ATOM 272 CB GLU A 16 -11.195 -4.295 6.773 1.00 0.00 C ATOM 273 CG GLU A 16 -12.625 -4.086 7.277 1.00 0.00 C ATOM 274 CD GLU A 16 -13.278 -2.927 6.531 1.00 0.00 C ATOM 275 OE1 GLU A 16 -13.271 -1.827 7.060 1.00 0.00 O ATOM 276 OE2 GLU A 16 -13.777 -3.156 5.441 1.00 0.00 O ATOM 0 H GLU A 16 -8.975 -3.743 5.832 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.710 -2.282 7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -11.162 -4.189 5.689 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -10.862 -5.307 7.005 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.207 -4.996 7.132 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -12.616 -3.881 8.347 1.00 0.00 H new ATOM 283 N LYS A 17 -9.573 -4.845 9.142 1.00 0.00 N ATOM 284 CA LYS A 17 -9.333 -5.301 10.507 1.00 0.00 C ATOM 285 C LYS A 17 -8.022 -4.730 11.034 1.00 0.00 C ATOM 286 O LYS A 17 -7.634 -4.987 12.174 1.00 0.00 O ATOM 287 CB LYS A 17 -9.278 -6.830 10.547 1.00 0.00 C ATOM 288 CG LYS A 17 -10.559 -7.407 9.940 1.00 0.00 C ATOM 289 CD LYS A 17 -10.384 -8.909 9.707 1.00 0.00 C ATOM 290 CE LYS A 17 -10.066 -9.606 11.033 1.00 0.00 C ATOM 291 NZ LYS A 17 -10.898 -9.015 12.120 1.00 0.00 N ATOM 0 H LYS A 17 -9.339 -5.526 8.419 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.151 -4.952 11.137 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -8.409 -7.187 9.994 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -9.165 -7.173 11.575 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -11.402 -7.228 10.607 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.785 -6.906 8.999 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.293 -9.328 9.274 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -9.580 -9.084 8.992 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -10.263 -10.675 10.950 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -9.008 -9.495 11.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.974 -9.692 12.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.453 -8.138 12.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -11.848 -8.802 11.753 1.00 0.00 H new ATOM 305 N THR A 18 -7.341 -3.956 10.193 1.00 0.00 N ATOM 306 CA THR A 18 -6.069 -3.349 10.575 1.00 0.00 C ATOM 307 C THR A 18 -6.229 -1.838 10.731 1.00 0.00 C ATOM 308 O THR A 18 -5.371 -1.067 10.302 1.00 0.00 O ATOM 309 CB THR A 18 -5.013 -3.655 9.503 1.00 0.00 C ATOM 310 OG1 THR A 18 -5.369 -4.849 8.821 1.00 0.00 O ATOM 311 CG2 THR A 18 -3.640 -3.833 10.156 1.00 0.00 C ATOM 0 H THR A 18 -7.647 -3.735 9.246 1.00 0.00 H new ATOM 0 HA THR A 18 -5.748 -3.766 11.530 1.00 0.00 H new ATOM 0 HB THR A 18 -4.968 -2.826 8.797 1.00 0.00 H new ATOM 0 HG1 THR A 18 -4.698 -5.046 8.135 1.00 0.00 H new ATOM 0 HG21 THR A 18 -2.897 -4.050 9.388 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.364 -2.917 10.679 1.00 0.00 H new ATOM 0 HG23 THR A 18 -3.679 -4.659 10.866 1.00 0.00 H new ATOM 319 N ILE A 19 -7.334 -1.423 11.346 1.00 0.00 N ATOM 320 CA ILE A 19 -7.597 0.000 11.547 1.00 0.00 C ATOM 321 C ILE A 19 -6.767 0.547 12.706 1.00 0.00 C ATOM 322 O ILE A 19 -5.876 1.366 12.498 1.00 0.00 O ATOM 323 CB ILE A 19 -9.090 0.232 11.810 1.00 0.00 C ATOM 324 CG1 ILE A 19 -9.329 1.716 12.108 1.00 0.00 C ATOM 325 CG2 ILE A 19 -9.558 -0.613 13.004 1.00 0.00 C ATOM 326 CD1 ILE A 19 -10.833 1.987 12.177 1.00 0.00 C ATOM 0 H ILE A 19 -8.056 -2.045 11.711 1.00 0.00 H new ATOM 0 HA ILE A 19 -7.311 0.532 10.639 1.00 0.00 H new ATOM 0 HB ILE A 19 -9.656 -0.063 10.926 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -8.856 1.989 13.051 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -8.873 2.332 11.333 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -10.620 -0.438 13.179 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -9.395 -1.669 12.789 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -8.992 -0.332 13.892 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -11.003 3.043 12.389 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -11.293 1.730 11.223 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -11.276 1.382 12.968 1.00 0.00 H new ATOM 338 N GLY A 20 -7.075 0.104 13.926 1.00 0.00 N ATOM 339 CA GLY A 20 -6.353 0.570 15.111 1.00 0.00 C ATOM 340 C GLY A 20 -4.916 0.955 14.773 1.00 0.00 C ATOM 341 O GLY A 20 -4.378 1.922 15.312 1.00 0.00 O ATOM 0 H GLY A 20 -7.814 -0.572 14.119 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -6.870 1.429 15.539 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -6.353 -0.213 15.870 1.00 0.00 H new ATOM 345 N PHE A 21 -4.308 0.198 13.869 1.00 0.00 N ATOM 346 CA PHE A 21 -2.938 0.470 13.450 1.00 0.00 C ATOM 347 C PHE A 21 -2.912 1.648 12.479 1.00 0.00 C ATOM 348 O PHE A 21 -2.129 2.584 12.642 1.00 0.00 O ATOM 349 CB PHE A 21 -2.358 -0.776 12.779 1.00 0.00 C ATOM 350 CG PHE A 21 -0.988 -0.477 12.219 1.00 0.00 C ATOM 351 CD1 PHE A 21 -0.799 -0.412 10.834 1.00 0.00 C ATOM 352 CD2 PHE A 21 0.096 -0.278 13.083 1.00 0.00 C ATOM 353 CE1 PHE A 21 0.471 -0.146 10.312 1.00 0.00 C ATOM 354 CE2 PHE A 21 1.367 -0.011 12.559 1.00 0.00 C ATOM 355 CZ PHE A 21 1.554 0.055 11.174 1.00 0.00 C ATOM 0 H PHE A 21 -4.739 -0.606 13.413 1.00 0.00 H new ATOM 0 HA PHE A 21 -2.336 0.724 14.322 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.294 -1.590 13.501 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.020 -1.110 11.980 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -1.635 -0.567 10.168 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -0.048 -0.330 14.152 1.00 0.00 H new ATOM 0 HE1 PHE A 21 0.615 -0.096 9.243 1.00 0.00 H new ATOM 0 HE2 PHE A 21 2.203 0.144 13.224 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.534 0.261 10.771 1.00 0.00 H new ATOM 365 N HIS A 22 -3.781 1.593 11.475 1.00 0.00 N ATOM 366 CA HIS A 22 -3.865 2.660 10.480 1.00 0.00 C ATOM 367 C HIS A 22 -4.281 3.974 11.134 1.00 0.00 C ATOM 368 O HIS A 22 -3.950 5.050 10.639 1.00 0.00 O ATOM 369 CB HIS A 22 -4.869 2.275 9.391 1.00 0.00 C ATOM 370 CG HIS A 22 -4.934 3.355 8.348 1.00 0.00 C ATOM 371 ND1 HIS A 22 -5.739 4.474 8.493 1.00 0.00 N ATOM 372 CD2 HIS A 22 -4.315 3.495 7.131 1.00 0.00 C ATOM 373 CE1 HIS A 22 -5.587 5.229 7.391 1.00 0.00 C ATOM 374 NE2 HIS A 22 -4.728 4.679 6.528 1.00 0.00 N ATOM 0 H HIS A 22 -4.435 0.825 11.328 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.881 2.796 10.031 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -4.576 1.331 8.931 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -5.855 2.123 9.831 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -3.614 2.792 6.706 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.097 6.166 7.224 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -4.438 5.048 5.622 1.00 0.00 H new ATOM 383 N ASP A 23 -4.985 3.888 12.257 1.00 0.00 N ATOM 384 CA ASP A 23 -5.409 5.088 12.972 1.00 0.00 C ATOM 385 C ASP A 23 -4.291 5.550 13.903 1.00 0.00 C ATOM 386 O ASP A 23 -4.381 6.599 14.540 1.00 0.00 O ATOM 387 CB ASP A 23 -6.677 4.795 13.784 1.00 0.00 C ATOM 388 CG ASP A 23 -7.530 6.056 13.904 1.00 0.00 C ATOM 389 OD1 ASP A 23 -7.856 6.626 12.876 1.00 0.00 O ATOM 390 OD2 ASP A 23 -7.840 6.433 15.021 1.00 0.00 O ATOM 0 H ASP A 23 -5.272 3.010 12.689 1.00 0.00 H new ATOM 0 HA ASP A 23 -5.627 5.876 12.251 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -7.251 4.003 13.302 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -6.407 4.434 14.776 1.00 0.00 H new ATOM 395 N LYS A 24 -3.241 4.742 13.968 1.00 0.00 N ATOM 396 CA LYS A 24 -2.087 5.029 14.810 1.00 0.00 C ATOM 397 C LYS A 24 -1.008 5.793 14.043 1.00 0.00 C ATOM 398 O LYS A 24 -0.557 6.839 14.511 1.00 0.00 O ATOM 399 CB LYS A 24 -1.510 3.714 15.360 1.00 0.00 C ATOM 400 CG LYS A 24 -1.207 3.853 16.859 1.00 0.00 C ATOM 401 CD LYS A 24 -2.500 3.685 17.665 1.00 0.00 C ATOM 402 CE LYS A 24 -2.306 4.246 19.075 1.00 0.00 C ATOM 403 NZ LYS A 24 -2.443 5.730 19.041 1.00 0.00 N ATOM 0 H LYS A 24 -3.165 3.872 13.441 1.00 0.00 H new ATOM 0 HA LYS A 24 -2.417 5.660 15.635 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -2.219 2.902 15.199 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -0.599 3.454 14.820 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -0.477 3.103 17.163 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -0.765 4.828 17.062 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -3.320 4.202 17.167 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -2.773 2.631 17.717 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -3.043 3.817 19.753 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -1.323 3.969 19.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -2.481 6.097 20.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -1.627 6.143 18.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -3.317 5.987 18.540 1.00 0.00 H new ATOM 417 N TYR A 25 -0.573 5.290 12.888 1.00 0.00 N ATOM 418 CA TYR A 25 0.474 5.993 12.140 1.00 0.00 C ATOM 419 C TYR A 25 0.013 6.392 10.740 1.00 0.00 C ATOM 420 O TYR A 25 -0.177 7.576 10.462 1.00 0.00 O ATOM 421 CB TYR A 25 1.727 5.123 12.049 1.00 0.00 C ATOM 422 CG TYR A 25 2.046 4.569 13.419 1.00 0.00 C ATOM 423 CD1 TYR A 25 1.981 3.191 13.651 1.00 0.00 C ATOM 424 CD2 TYR A 25 2.403 5.437 14.457 1.00 0.00 C ATOM 425 CE1 TYR A 25 2.273 2.680 14.921 1.00 0.00 C ATOM 426 CE2 TYR A 25 2.696 4.926 15.727 1.00 0.00 C ATOM 427 CZ TYR A 25 2.631 3.548 15.959 1.00 0.00 C ATOM 428 OH TYR A 25 2.918 3.044 17.212 1.00 0.00 O ATOM 0 H TYR A 25 -0.913 4.429 12.460 1.00 0.00 H new ATOM 0 HA TYR A 25 0.702 6.910 12.683 1.00 0.00 H new ATOM 0 HB2 TYR A 25 1.569 4.309 11.342 1.00 0.00 H new ATOM 0 HB3 TYR A 25 2.566 5.710 11.676 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.705 2.521 12.850 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.452 6.501 14.278 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.222 1.616 15.100 1.00 0.00 H new ATOM 0 HE2 TYR A 25 2.972 5.596 16.528 1.00 0.00 H new ATOM 0 HH TYR A 25 3.149 3.781 17.816 1.00 0.00 H new ATOM 438 N ILE A 26 -0.151 5.412 9.857 1.00 0.00 N ATOM 439 CA ILE A 26 -0.574 5.705 8.490 1.00 0.00 C ATOM 440 C ILE A 26 -1.658 6.776 8.481 1.00 0.00 C ATOM 441 O ILE A 26 -1.634 7.685 7.652 1.00 0.00 O ATOM 442 CB ILE A 26 -1.091 4.438 7.807 1.00 0.00 C ATOM 443 CG1 ILE A 26 -0.075 3.307 8.005 1.00 0.00 C ATOM 444 CG2 ILE A 26 -1.272 4.709 6.311 1.00 0.00 C ATOM 445 CD1 ILE A 26 -0.480 2.093 7.167 1.00 0.00 C ATOM 0 H ILE A 26 -0.001 4.423 10.057 1.00 0.00 H new ATOM 0 HA ILE A 26 0.291 6.076 7.940 1.00 0.00 H new ATOM 0 HB ILE A 26 -2.047 4.148 8.242 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.920 3.645 7.715 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -0.024 3.032 9.059 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.640 3.808 5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -1.990 5.518 6.172 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.315 4.994 5.875 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.246 1.293 7.312 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -1.467 1.749 7.478 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.508 2.371 6.113 1.00 0.00 H new ATOM 457 N LYS A 27 -2.599 6.665 9.418 1.00 0.00 N ATOM 458 CA LYS A 27 -3.695 7.631 9.529 1.00 0.00 C ATOM 459 C LYS A 27 -3.937 8.357 8.204 1.00 0.00 C ATOM 460 O LYS A 27 -4.449 7.772 7.250 1.00 0.00 O ATOM 461 CB LYS A 27 -3.375 8.650 10.627 1.00 0.00 C ATOM 462 CG LYS A 27 -4.622 9.487 10.926 1.00 0.00 C ATOM 463 CD LYS A 27 -4.329 10.474 12.063 1.00 0.00 C ATOM 464 CE LYS A 27 -3.666 11.735 11.498 1.00 0.00 C ATOM 465 NZ LYS A 27 -4.571 12.366 10.497 1.00 0.00 N ATOM 0 H LYS A 27 -2.626 5.917 10.111 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.603 7.085 9.785 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -3.044 8.136 11.529 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.557 9.297 10.310 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -4.929 10.030 10.032 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.450 8.835 11.203 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.254 10.737 12.576 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.676 10.009 12.802 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -3.451 12.437 12.303 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -2.713 11.481 11.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -4.440 13.398 10.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -4.347 12.003 9.549 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.559 12.139 10.730 1.00 0.00 H new ATOM 479 N ASP A 28 -3.562 9.632 8.152 1.00 0.00 N ATOM 480 CA ASP A 28 -3.739 10.425 6.940 1.00 0.00 C ATOM 481 C ASP A 28 -2.766 11.598 6.928 1.00 0.00 C ATOM 482 O ASP A 28 -3.164 12.749 7.109 1.00 0.00 O ATOM 483 CB ASP A 28 -5.176 10.948 6.863 1.00 0.00 C ATOM 484 CG ASP A 28 -5.457 11.495 5.468 1.00 0.00 C ATOM 485 OD1 ASP A 28 -6.475 12.147 5.302 1.00 0.00 O ATOM 486 OD2 ASP A 28 -4.649 11.255 4.584 1.00 0.00 O ATOM 0 H ASP A 28 -3.136 10.136 8.930 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.539 9.790 6.077 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -5.877 10.146 7.096 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -5.328 11.730 7.607 1.00 0.00 H new ATOM 491 N ILE A 29 -1.489 11.296 6.717 1.00 0.00 N ATOM 492 CA ILE A 29 -0.463 12.333 6.686 1.00 0.00 C ATOM 493 C ILE A 29 -0.786 13.373 5.616 1.00 0.00 C ATOM 494 O ILE A 29 -1.953 13.632 5.323 1.00 0.00 O ATOM 495 CB ILE A 29 0.911 11.708 6.408 1.00 0.00 C ATOM 496 CG1 ILE A 29 0.964 10.300 7.012 1.00 0.00 C ATOM 497 CG2 ILE A 29 2.011 12.574 7.036 1.00 0.00 C ATOM 498 CD1 ILE A 29 2.392 9.756 6.930 1.00 0.00 C ATOM 0 H ILE A 29 -1.141 10.349 6.566 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.441 12.826 7.658 1.00 0.00 H new ATOM 0 HB ILE A 29 1.068 11.650 5.331 1.00 0.00 H new ATOM 0 HG12 ILE A 29 0.634 10.327 8.051 1.00 0.00 H new ATOM 0 HG13 ILE A 29 0.282 9.639 6.478 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.985 12.127 6.836 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.976 13.575 6.606 1.00 0.00 H new ATOM 0 HG23 ILE A 29 1.854 12.637 8.113 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.425 8.755 7.360 1.00 0.00 H new ATOM 0 HD12 ILE A 29 2.706 9.713 5.887 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.064 10.412 7.484 1.00 0.00 H new ATOM 510 N ASN A 30 0.253 13.963 5.036 1.00 0.00 N ATOM 511 CA ASN A 30 0.067 14.975 4.000 1.00 0.00 C ATOM 512 C ASN A 30 1.290 15.038 3.087 1.00 0.00 C ATOM 513 O ASN A 30 1.545 16.059 2.449 1.00 0.00 O ATOM 514 CB ASN A 30 -0.166 16.350 4.645 1.00 0.00 C ATOM 515 CG ASN A 30 -1.646 16.546 4.970 1.00 0.00 C ATOM 516 OD1 ASN A 30 -2.488 15.758 4.542 1.00 0.00 O ATOM 517 ND2 ASN A 30 -2.012 17.561 5.703 1.00 0.00 N ATOM 0 H ASN A 30 1.227 13.761 5.263 1.00 0.00 H new ATOM 0 HA ASN A 30 -0.804 14.702 3.404 1.00 0.00 H new ATOM 0 HB2 ASN A 30 0.427 16.436 5.556 1.00 0.00 H new ATOM 0 HB3 ASN A 30 0.171 17.137 3.970 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -2.998 17.702 5.922 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -1.312 18.213 6.057 1.00 0.00 H new ATOM 524 N ARG A 31 2.041 13.941 3.023 1.00 0.00 N ATOM 525 CA ARG A 31 3.230 13.890 2.177 1.00 0.00 C ATOM 526 C ARG A 31 3.293 12.570 1.413 1.00 0.00 C ATOM 527 O ARG A 31 3.861 11.585 1.883 1.00 0.00 O ATOM 528 CB ARG A 31 4.496 14.054 3.020 1.00 0.00 C ATOM 529 CG ARG A 31 4.528 15.448 3.658 1.00 0.00 C ATOM 530 CD ARG A 31 4.803 16.520 2.592 1.00 0.00 C ATOM 531 NE ARG A 31 3.648 17.400 2.458 1.00 0.00 N ATOM 532 CZ ARG A 31 3.717 18.525 1.754 1.00 0.00 C ATOM 533 NH1 ARG A 31 4.829 18.853 1.155 1.00 0.00 N ATOM 534 NH2 ARG A 31 2.672 19.300 1.659 1.00 0.00 N ATOM 0 H ARG A 31 1.850 13.084 3.541 1.00 0.00 H new ATOM 0 HA ARG A 31 3.168 14.710 1.462 1.00 0.00 H new ATOM 0 HB2 ARG A 31 4.527 13.290 3.796 1.00 0.00 H new ATOM 0 HB3 ARG A 31 5.378 13.911 2.396 1.00 0.00 H new ATOM 0 HG2 ARG A 31 3.577 15.651 4.150 1.00 0.00 H new ATOM 0 HG3 ARG A 31 5.299 15.485 4.427 1.00 0.00 H new ATOM 0 HD2 ARG A 31 5.683 17.101 2.868 1.00 0.00 H new ATOM 0 HD3 ARG A 31 5.021 16.045 1.635 1.00 0.00 H new ATOM 0 HE ARG A 31 2.771 17.147 2.913 1.00 0.00 H new ATOM 0 HH11 ARG A 31 5.645 18.246 1.227 1.00 0.00 H new ATOM 0 HH12 ARG A 31 4.882 19.717 0.615 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.802 19.042 2.125 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.725 20.164 1.119 1.00 0.00 H new ATOM 548 N PHE A 32 2.711 12.579 0.220 1.00 0.00 N ATOM 549 CA PHE A 32 2.692 11.409 -0.650 1.00 0.00 C ATOM 550 C PHE A 32 2.728 11.877 -2.100 1.00 0.00 C ATOM 551 O PHE A 32 1.930 12.723 -2.501 1.00 0.00 O ATOM 552 CB PHE A 32 1.427 10.582 -0.405 1.00 0.00 C ATOM 553 CG PHE A 32 0.214 11.361 -0.854 1.00 0.00 C ATOM 554 CD1 PHE A 32 -0.224 11.270 -2.182 1.00 0.00 C ATOM 555 CD2 PHE A 32 -0.474 12.173 0.056 1.00 0.00 C ATOM 556 CE1 PHE A 32 -1.349 11.990 -2.598 1.00 0.00 C ATOM 557 CE2 PHE A 32 -1.600 12.893 -0.362 1.00 0.00 C ATOM 558 CZ PHE A 32 -2.037 12.802 -1.689 1.00 0.00 C ATOM 0 H PHE A 32 2.240 13.395 -0.171 1.00 0.00 H new ATOM 0 HA PHE A 32 3.559 10.784 -0.436 1.00 0.00 H new ATOM 0 HB2 PHE A 32 1.487 9.639 -0.948 1.00 0.00 H new ATOM 0 HB3 PHE A 32 1.341 10.336 0.653 1.00 0.00 H new ATOM 0 HD1 PHE A 32 0.307 10.644 -2.884 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.136 12.244 1.079 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.687 11.919 -3.621 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.132 13.519 0.340 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.905 13.358 -2.011 1.00 0.00 H new ATOM 568 N VAL A 33 3.668 11.348 -2.881 1.00 0.00 N ATOM 569 CA VAL A 33 3.795 11.762 -4.279 1.00 0.00 C ATOM 570 C VAL A 33 3.877 10.568 -5.224 1.00 0.00 C ATOM 571 O VAL A 33 4.541 9.571 -4.936 1.00 0.00 O ATOM 572 CB VAL A 33 5.046 12.625 -4.450 1.00 0.00 C ATOM 573 CG1 VAL A 33 5.051 13.737 -3.400 1.00 0.00 C ATOM 574 CG2 VAL A 33 6.294 11.755 -4.276 1.00 0.00 C ATOM 0 H VAL A 33 4.342 10.645 -2.578 1.00 0.00 H new ATOM 0 HA VAL A 33 2.902 12.333 -4.534 1.00 0.00 H new ATOM 0 HB VAL A 33 5.046 13.068 -5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.943 14.350 -3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 33 4.164 14.358 -3.523 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.049 13.296 -2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 33 7.186 12.370 -4.398 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.292 11.311 -3.280 1.00 0.00 H new ATOM 0 HG23 VAL A 33 6.293 10.964 -5.026 1.00 0.00 H new ATOM 584 N PHE A 34 3.199 10.697 -6.362 1.00 0.00 N ATOM 585 CA PHE A 34 3.193 9.648 -7.378 1.00 0.00 C ATOM 586 C PHE A 34 3.420 10.261 -8.757 1.00 0.00 C ATOM 587 O PHE A 34 2.904 11.339 -9.057 1.00 0.00 O ATOM 588 CB PHE A 34 1.851 8.902 -7.361 1.00 0.00 C ATOM 589 CG PHE A 34 0.848 9.621 -8.227 1.00 0.00 C ATOM 590 CD1 PHE A 34 0.481 9.084 -9.466 1.00 0.00 C ATOM 591 CD2 PHE A 34 0.290 10.825 -7.791 1.00 0.00 C ATOM 592 CE1 PHE A 34 -0.450 9.754 -10.271 1.00 0.00 C ATOM 593 CE2 PHE A 34 -0.641 11.497 -8.593 1.00 0.00 C ATOM 594 CZ PHE A 34 -1.010 10.961 -9.833 1.00 0.00 C ATOM 0 H PHE A 34 2.646 11.519 -6.604 1.00 0.00 H new ATOM 0 HA PHE A 34 3.995 8.943 -7.159 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.988 7.882 -7.720 1.00 0.00 H new ATOM 0 HB3 PHE A 34 1.477 8.833 -6.339 1.00 0.00 H new ATOM 0 HD1 PHE A 34 0.915 8.154 -9.802 1.00 0.00 H new ATOM 0 HD2 PHE A 34 0.577 11.238 -6.835 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -0.735 9.341 -11.227 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -1.074 12.427 -8.256 1.00 0.00 H new ATOM 0 HZ PHE A 34 -1.727 11.479 -10.452 1.00 0.00 H new ATOM 604 N LYS A 35 4.183 9.568 -9.594 1.00 0.00 N ATOM 605 CA LYS A 35 4.460 10.051 -10.944 1.00 0.00 C ATOM 606 C LYS A 35 3.956 9.045 -11.969 1.00 0.00 C ATOM 607 O LYS A 35 3.492 9.426 -13.041 1.00 0.00 O ATOM 608 CB LYS A 35 5.966 10.263 -11.131 1.00 0.00 C ATOM 609 CG LYS A 35 6.453 11.376 -10.197 1.00 0.00 C ATOM 610 CD LYS A 35 7.740 11.988 -10.754 1.00 0.00 C ATOM 611 CE LYS A 35 8.791 10.891 -10.939 1.00 0.00 C ATOM 612 NZ LYS A 35 8.899 10.091 -9.686 1.00 0.00 N ATOM 0 H LYS A 35 4.619 8.675 -9.365 1.00 0.00 H new ATOM 0 HA LYS A 35 3.946 11.001 -11.088 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.502 9.338 -10.920 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.180 10.526 -12.167 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.686 12.144 -10.099 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.631 10.975 -9.199 1.00 0.00 H new ATOM 0 HD2 LYS A 35 7.539 12.478 -11.707 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.114 12.754 -10.075 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.516 10.245 -11.773 1.00 0.00 H new ATOM 0 HE3 LYS A 35 9.756 11.334 -11.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 9.872 9.739 -9.582 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.658 10.689 -8.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.242 9.286 -9.731 1.00 0.00 H new ATOM 626 N ASN A 36 4.057 7.762 -11.613 1.00 0.00 N ATOM 627 CA ASN A 36 3.619 6.662 -12.478 1.00 0.00 C ATOM 628 C ASN A 36 4.613 5.512 -12.385 1.00 0.00 C ATOM 629 O ASN A 36 4.308 4.380 -12.758 1.00 0.00 O ATOM 630 CB ASN A 36 3.505 7.114 -13.939 1.00 0.00 C ATOM 631 CG ASN A 36 3.358 5.902 -14.857 1.00 0.00 C ATOM 632 OD1 ASN A 36 2.770 4.894 -14.466 1.00 0.00 O ATOM 633 ND2 ASN A 36 3.856 5.944 -16.063 1.00 0.00 N ATOM 0 H ASN A 36 4.443 7.456 -10.720 1.00 0.00 H new ATOM 0 HA ASN A 36 2.635 6.337 -12.140 1.00 0.00 H new ATOM 0 HB2 ASN A 36 2.646 7.775 -14.057 1.00 0.00 H new ATOM 0 HB3 ASN A 36 4.389 7.687 -14.220 1.00 0.00 H new ATOM 0 HD21 ASN A 36 3.758 5.140 -16.683 1.00 0.00 H new ATOM 0 HD22 ASN A 36 4.343 6.781 -16.385 1.00 0.00 H new ATOM 640 N ASN A 37 5.811 5.816 -11.894 1.00 0.00 N ATOM 641 CA ASN A 37 6.852 4.805 -11.764 1.00 0.00 C ATOM 642 C ASN A 37 6.935 4.282 -10.341 1.00 0.00 C ATOM 643 O ASN A 37 7.106 3.084 -10.118 1.00 0.00 O ATOM 644 CB ASN A 37 8.205 5.392 -12.173 1.00 0.00 C ATOM 645 CG ASN A 37 9.206 4.270 -12.423 1.00 0.00 C ATOM 646 OD1 ASN A 37 10.234 4.193 -11.750 1.00 0.00 O ATOM 647 ND2 ASN A 37 8.967 3.391 -13.357 1.00 0.00 N ATOM 0 H ASN A 37 6.083 6.748 -11.582 1.00 0.00 H new ATOM 0 HA ASN A 37 6.598 3.974 -12.422 1.00 0.00 H new ATOM 0 HB2 ASN A 37 8.091 5.996 -13.073 1.00 0.00 H new ATOM 0 HB3 ASN A 37 8.576 6.053 -11.390 1.00 0.00 H new ATOM 0 HD21 ASN A 37 9.633 2.638 -13.531 1.00 0.00 H new ATOM 0 HD22 ASN A 37 8.115 3.457 -13.913 1.00 0.00 H new ATOM 654 N VAL A 38 6.838 5.185 -9.382 1.00 0.00 N ATOM 655 CA VAL A 38 6.926 4.797 -7.975 1.00 0.00 C ATOM 656 C VAL A 38 6.078 5.707 -7.094 1.00 0.00 C ATOM 657 O VAL A 38 5.770 6.840 -7.465 1.00 0.00 O ATOM 658 CB VAL A 38 8.381 4.860 -7.507 1.00 0.00 C ATOM 659 CG1 VAL A 38 8.482 4.318 -6.081 1.00 0.00 C ATOM 660 CG2 VAL A 38 9.257 4.015 -8.433 1.00 0.00 C ATOM 0 H VAL A 38 6.700 6.183 -9.543 1.00 0.00 H new ATOM 0 HA VAL A 38 6.549 3.778 -7.887 1.00 0.00 H new ATOM 0 HB VAL A 38 8.722 5.895 -7.530 1.00 0.00 H new ATOM 0 HG11 VAL A 38 9.519 4.363 -5.747 1.00 0.00 H new ATOM 0 HG12 VAL A 38 7.861 4.920 -5.418 1.00 0.00 H new ATOM 0 HG13 VAL A 38 8.138 3.284 -6.060 1.00 0.00 H new ATOM 0 HG21 VAL A 38 10.293 4.062 -8.097 1.00 0.00 H new ATOM 0 HG22 VAL A 38 8.915 2.980 -8.413 1.00 0.00 H new ATOM 0 HG23 VAL A 38 9.188 4.400 -9.450 1.00 0.00 H new ATOM 670 N LEU A 39 5.715 5.200 -5.919 1.00 0.00 N ATOM 671 CA LEU A 39 4.910 5.962 -4.969 1.00 0.00 C ATOM 672 C LEU A 39 5.585 5.973 -3.599 1.00 0.00 C ATOM 673 O LEU A 39 5.932 4.919 -3.062 1.00 0.00 O ATOM 674 CB LEU A 39 3.511 5.337 -4.843 1.00 0.00 C ATOM 675 CG LEU A 39 2.549 5.999 -5.838 1.00 0.00 C ATOM 676 CD1 LEU A 39 2.821 5.491 -7.261 1.00 0.00 C ATOM 677 CD2 LEU A 39 1.105 5.671 -5.450 1.00 0.00 C ATOM 0 H LEU A 39 5.966 4.264 -5.602 1.00 0.00 H new ATOM 0 HA LEU A 39 4.817 6.985 -5.333 1.00 0.00 H new ATOM 0 HB2 LEU A 39 3.564 4.265 -5.034 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.138 5.462 -3.826 1.00 0.00 H new ATOM 0 HG LEU A 39 2.703 7.078 -5.811 1.00 0.00 H new ATOM 0 HD11 LEU A 39 2.131 5.969 -7.956 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.846 5.732 -7.544 1.00 0.00 H new ATOM 0 HD13 LEU A 39 2.680 4.411 -7.295 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.422 6.142 -6.157 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.959 4.591 -5.469 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.904 6.046 -4.447 1.00 0.00 H new ATOM 689 N LEU A 40 5.770 7.167 -3.038 1.00 0.00 N ATOM 690 CA LEU A 40 6.407 7.296 -1.728 1.00 0.00 C ATOM 691 C LEU A 40 5.443 7.948 -0.740 1.00 0.00 C ATOM 692 O LEU A 40 4.666 8.833 -1.104 1.00 0.00 O ATOM 693 CB LEU A 40 7.691 8.136 -1.851 1.00 0.00 C ATOM 694 CG LEU A 40 8.924 7.289 -1.503 1.00 0.00 C ATOM 695 CD1 LEU A 40 10.171 7.922 -2.124 1.00 0.00 C ATOM 696 CD2 LEU A 40 9.092 7.232 0.017 1.00 0.00 C ATOM 0 H LEU A 40 5.491 8.051 -3.465 1.00 0.00 H new ATOM 0 HA LEU A 40 6.668 6.304 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 40 7.783 8.523 -2.866 1.00 0.00 H new ATOM 0 HB3 LEU A 40 7.634 8.997 -1.185 1.00 0.00 H new ATOM 0 HG LEU A 40 8.792 6.281 -1.895 1.00 0.00 H new ATOM 0 HD11 LEU A 40 11.046 7.321 -1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 40 10.056 7.967 -3.207 1.00 0.00 H new ATOM 0 HD13 LEU A 40 10.301 8.930 -1.731 1.00 0.00 H new ATOM 0 HD21 LEU A 40 9.967 6.631 0.264 1.00 0.00 H new ATOM 0 HD22 LEU A 40 9.223 8.241 0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 40 8.205 6.783 0.464 1.00 0.00 H new ATOM 708 N ILE A 41 5.502 7.495 0.512 1.00 0.00 N ATOM 709 CA ILE A 41 4.630 8.030 1.557 1.00 0.00 C ATOM 710 C ILE A 41 5.397 8.196 2.869 1.00 0.00 C ATOM 711 O ILE A 41 6.175 7.326 3.265 1.00 0.00 O ATOM 712 CB ILE A 41 3.444 7.085 1.781 1.00 0.00 C ATOM 713 CG1 ILE A 41 2.508 7.135 0.570 1.00 0.00 C ATOM 714 CG2 ILE A 41 2.672 7.511 3.033 1.00 0.00 C ATOM 715 CD1 ILE A 41 1.536 5.956 0.629 1.00 0.00 C ATOM 0 H ILE A 41 6.140 6.764 0.826 1.00 0.00 H new ATOM 0 HA ILE A 41 4.268 9.006 1.233 1.00 0.00 H new ATOM 0 HB ILE A 41 3.818 6.070 1.912 1.00 0.00 H new ATOM 0 HG12 ILE A 41 1.956 8.075 0.562 1.00 0.00 H new ATOM 0 HG13 ILE A 41 3.087 7.097 -0.353 1.00 0.00 H new ATOM 0 HG21 ILE A 41 1.830 6.837 3.188 1.00 0.00 H new ATOM 0 HG22 ILE A 41 3.333 7.472 3.899 1.00 0.00 H new ATOM 0 HG23 ILE A 41 2.303 8.528 2.904 1.00 0.00 H new ATOM 0 HD11 ILE A 41 0.869 5.991 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 41 2.097 5.021 0.617 1.00 0.00 H new ATOM 0 HD13 ILE A 41 0.948 6.014 1.545 1.00 0.00 H new ATOM 727 N LEU A 42 5.179 9.327 3.533 1.00 0.00 N ATOM 728 CA LEU A 42 5.856 9.613 4.795 1.00 0.00 C ATOM 729 C LEU A 42 5.548 8.544 5.845 1.00 0.00 C ATOM 730 O LEU A 42 4.397 8.151 6.035 1.00 0.00 O ATOM 731 CB LEU A 42 5.413 10.986 5.322 1.00 0.00 C ATOM 732 CG LEU A 42 6.519 12.031 5.104 1.00 0.00 C ATOM 733 CD1 LEU A 42 7.748 11.688 5.959 1.00 0.00 C ATOM 734 CD2 LEU A 42 6.912 12.071 3.620 1.00 0.00 C ATOM 0 H LEU A 42 4.541 10.059 3.220 1.00 0.00 H new ATOM 0 HA LEU A 42 6.930 9.614 4.609 1.00 0.00 H new ATOM 0 HB2 LEU A 42 4.502 11.301 4.813 1.00 0.00 H new ATOM 0 HB3 LEU A 42 5.176 10.915 6.384 1.00 0.00 H new ATOM 0 HG LEU A 42 6.143 13.010 5.403 1.00 0.00 H new ATOM 0 HD11 LEU A 42 8.525 12.435 5.796 1.00 0.00 H new ATOM 0 HD12 LEU A 42 7.468 11.680 7.012 1.00 0.00 H new ATOM 0 HD13 LEU A 42 8.125 10.705 5.676 1.00 0.00 H new ATOM 0 HD21 LEU A 42 7.696 12.813 3.471 1.00 0.00 H new ATOM 0 HD22 LEU A 42 7.277 11.091 3.314 1.00 0.00 H new ATOM 0 HD23 LEU A 42 6.042 12.337 3.020 1.00 0.00 H new ATOM 746 N LEU A 43 6.595 8.100 6.532 1.00 0.00 N ATOM 747 CA LEU A 43 6.459 7.096 7.582 1.00 0.00 C ATOM 748 C LEU A 43 7.666 7.161 8.516 1.00 0.00 C ATOM 749 O LEU A 43 8.740 6.653 8.193 1.00 0.00 O ATOM 750 CB LEU A 43 6.350 5.698 6.972 1.00 0.00 C ATOM 751 CG LEU A 43 5.864 4.707 8.039 1.00 0.00 C ATOM 752 CD1 LEU A 43 4.358 4.886 8.279 1.00 0.00 C ATOM 753 CD2 LEU A 43 6.137 3.275 7.569 1.00 0.00 C ATOM 0 H LEU A 43 7.551 8.421 6.380 1.00 0.00 H new ATOM 0 HA LEU A 43 5.551 7.301 8.149 1.00 0.00 H new ATOM 0 HB2 LEU A 43 5.657 5.710 6.130 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.318 5.383 6.583 1.00 0.00 H new ATOM 0 HG LEU A 43 6.399 4.897 8.970 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.024 4.178 9.038 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.162 5.903 8.620 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.817 4.704 7.350 1.00 0.00 H new ATOM 0 HD21 LEU A 43 5.792 2.571 8.327 1.00 0.00 H new ATOM 0 HD22 LEU A 43 5.606 3.091 6.635 1.00 0.00 H new ATOM 0 HD23 LEU A 43 7.207 3.142 7.411 1.00 0.00 H new ATOM 765 N GLU A 44 7.486 7.807 9.667 1.00 0.00 N ATOM 766 CA GLU A 44 8.572 7.954 10.634 1.00 0.00 C ATOM 767 C GLU A 44 8.638 6.759 11.584 1.00 0.00 C ATOM 768 O GLU A 44 9.679 6.114 11.706 1.00 0.00 O ATOM 769 CB GLU A 44 8.374 9.234 11.449 1.00 0.00 C ATOM 770 CG GLU A 44 8.195 10.425 10.503 1.00 0.00 C ATOM 771 CD GLU A 44 7.703 11.640 11.284 1.00 0.00 C ATOM 772 OE1 GLU A 44 6.519 11.923 11.215 1.00 0.00 O ATOM 773 OE2 GLU A 44 8.518 12.268 11.940 1.00 0.00 O ATOM 0 H GLU A 44 6.605 8.234 9.951 1.00 0.00 H new ATOM 0 HA GLU A 44 9.508 8.006 10.078 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.501 9.135 12.094 1.00 0.00 H new ATOM 0 HB3 GLU A 44 9.233 9.399 12.099 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.140 10.656 10.012 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.482 10.173 9.718 1.00 0.00 H new ATOM 780 N ASN A 45 7.526 6.481 12.261 1.00 0.00 N ATOM 781 CA ASN A 45 7.468 5.369 13.212 1.00 0.00 C ATOM 782 C ASN A 45 8.320 4.191 12.740 1.00 0.00 C ATOM 783 O ASN A 45 7.830 3.298 12.051 1.00 0.00 O ATOM 784 CB ASN A 45 6.018 4.916 13.391 1.00 0.00 C ATOM 785 CG ASN A 45 5.224 5.990 14.128 1.00 0.00 C ATOM 786 OD1 ASN A 45 5.158 5.961 15.432 1.00 0.00 O flip ATOM 787 ND2 ASN A 45 4.649 6.879 13.499 1.00 0.00 N flip ATOM 0 H ASN A 45 6.656 7.006 12.171 1.00 0.00 H new ATOM 0 HA ASN A 45 7.866 5.717 14.165 1.00 0.00 H new ATOM 0 HB2 ASN A 45 5.566 4.721 12.418 1.00 0.00 H new ATOM 0 HB3 ASN A 45 5.987 3.981 13.950 1.00 0.00 H new ATOM 0 HD21 ASN A 45 4.702 6.899 12.481 1.00 0.00 H new ATOM 0 HD22 ASN A 45 4.120 7.595 13.996 1.00 0.00 H new ATOM 794 N GLU A 46 9.594 4.203 13.127 1.00 0.00 N ATOM 795 CA GLU A 46 10.525 3.140 12.749 1.00 0.00 C ATOM 796 C GLU A 46 9.847 1.776 12.823 1.00 0.00 C ATOM 797 O GLU A 46 10.194 0.859 12.078 1.00 0.00 O ATOM 798 CB GLU A 46 11.738 3.161 13.684 1.00 0.00 C ATOM 799 CG GLU A 46 12.577 1.896 13.477 1.00 0.00 C ATOM 800 CD GLU A 46 13.948 2.070 14.123 1.00 0.00 C ATOM 801 OE1 GLU A 46 14.605 3.050 13.818 1.00 0.00 O ATOM 802 OE2 GLU A 46 14.320 1.218 14.913 1.00 0.00 O ATOM 0 H GLU A 46 10.006 4.937 13.703 1.00 0.00 H new ATOM 0 HA GLU A 46 10.849 3.312 11.722 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.344 4.046 13.488 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.408 3.224 14.721 1.00 0.00 H new ATOM 0 HG2 GLU A 46 12.067 1.036 13.911 1.00 0.00 H new ATOM 0 HG3 GLU A 46 12.690 1.695 12.412 1.00 0.00 H new ATOM 809 N PHE A 47 8.883 1.649 13.723 1.00 0.00 N ATOM 810 CA PHE A 47 8.168 0.393 13.882 1.00 0.00 C ATOM 811 C PHE A 47 7.305 0.116 12.655 1.00 0.00 C ATOM 812 O PHE A 47 7.586 -0.794 11.877 1.00 0.00 O ATOM 813 CB PHE A 47 7.287 0.456 15.129 1.00 0.00 C ATOM 814 CG PHE A 47 6.652 -0.892 15.366 1.00 0.00 C ATOM 815 CD1 PHE A 47 7.419 -1.944 15.878 1.00 0.00 C ATOM 816 CD2 PHE A 47 5.299 -1.088 15.073 1.00 0.00 C ATOM 817 CE1 PHE A 47 6.831 -3.195 16.099 1.00 0.00 C ATOM 818 CE2 PHE A 47 4.709 -2.339 15.293 1.00 0.00 C ATOM 819 CZ PHE A 47 5.476 -3.392 15.805 1.00 0.00 C ATOM 0 H PHE A 47 8.580 2.395 14.350 1.00 0.00 H new ATOM 0 HA PHE A 47 8.893 -0.413 13.991 1.00 0.00 H new ATOM 0 HB2 PHE A 47 7.883 0.746 15.994 1.00 0.00 H new ATOM 0 HB3 PHE A 47 6.516 1.216 15.004 1.00 0.00 H new ATOM 0 HD1 PHE A 47 8.464 -1.791 16.103 1.00 0.00 H new ATOM 0 HD2 PHE A 47 4.709 -0.275 14.677 1.00 0.00 H new ATOM 0 HE1 PHE A 47 7.422 -4.007 16.496 1.00 0.00 H new ATOM 0 HE2 PHE A 47 3.664 -2.491 15.068 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.022 -4.357 15.974 1.00 0.00 H new ATOM 829 N ALA A 48 6.252 0.908 12.495 1.00 0.00 N ATOM 830 CA ALA A 48 5.343 0.748 11.363 1.00 0.00 C ATOM 831 C ALA A 48 6.102 0.426 10.079 1.00 0.00 C ATOM 832 O ALA A 48 5.566 -0.237 9.193 1.00 0.00 O ATOM 833 CB ALA A 48 4.536 2.031 11.159 1.00 0.00 C ATOM 0 H ALA A 48 6.005 1.666 13.132 1.00 0.00 H new ATOM 0 HA ALA A 48 4.675 -0.084 11.588 1.00 0.00 H new ATOM 0 HB1 ALA A 48 3.860 1.905 10.313 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.957 2.243 12.058 1.00 0.00 H new ATOM 0 HB3 ALA A 48 5.215 2.860 10.960 1.00 0.00 H new ATOM 839 N ARG A 49 7.342 0.887 9.980 1.00 0.00 N ATOM 840 CA ARG A 49 8.144 0.625 8.785 1.00 0.00 C ATOM 841 C ARG A 49 8.835 -0.730 8.904 1.00 0.00 C ATOM 842 O ARG A 49 9.032 -1.430 7.910 1.00 0.00 O ATOM 843 CB ARG A 49 9.194 1.731 8.586 1.00 0.00 C ATOM 844 CG ARG A 49 8.892 2.910 9.510 1.00 0.00 C ATOM 845 CD ARG A 49 9.660 4.143 9.034 1.00 0.00 C ATOM 846 NE ARG A 49 11.096 3.886 9.064 1.00 0.00 N ATOM 847 CZ ARG A 49 11.928 4.536 8.258 1.00 0.00 C ATOM 848 NH1 ARG A 49 11.463 5.421 7.419 1.00 0.00 N ATOM 849 NH2 ARG A 49 13.209 4.291 8.306 1.00 0.00 N ATOM 0 H ARG A 49 7.812 1.437 10.699 1.00 0.00 H new ATOM 0 HA ARG A 49 7.480 0.614 7.920 1.00 0.00 H new ATOM 0 HB2 ARG A 49 10.190 1.340 8.795 1.00 0.00 H new ATOM 0 HB3 ARG A 49 9.193 2.062 7.548 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.822 3.116 9.516 1.00 0.00 H new ATOM 0 HG3 ARG A 49 9.175 2.665 10.534 1.00 0.00 H new ATOM 0 HD2 ARG A 49 9.351 4.404 8.022 1.00 0.00 H new ATOM 0 HD3 ARG A 49 9.423 4.996 9.670 1.00 0.00 H new ATOM 0 HE ARG A 49 11.468 3.195 9.716 1.00 0.00 H new ATOM 0 HH11 ARG A 49 10.462 5.613 7.383 1.00 0.00 H new ATOM 0 HH12 ARG A 49 12.101 5.921 6.800 1.00 0.00 H new ATOM 0 HH21 ARG A 49 13.572 3.600 8.963 1.00 0.00 H new ATOM 0 HH22 ARG A 49 13.847 4.790 7.687 1.00 0.00 H new ATOM 863 N ASN A 50 9.201 -1.086 10.129 1.00 0.00 N ATOM 864 CA ASN A 50 9.873 -2.353 10.384 1.00 0.00 C ATOM 865 C ASN A 50 9.056 -3.521 9.842 1.00 0.00 C ATOM 866 O ASN A 50 9.595 -4.474 9.282 1.00 0.00 O ATOM 867 CB ASN A 50 10.052 -2.533 11.893 1.00 0.00 C ATOM 868 CG ASN A 50 10.892 -3.773 12.175 1.00 0.00 C ATOM 869 OD1 ASN A 50 10.354 -4.872 12.311 1.00 0.00 O ATOM 870 ND2 ASN A 50 12.189 -3.662 12.273 1.00 0.00 N ATOM 0 H ASN A 50 9.044 -0.516 10.960 1.00 0.00 H new ATOM 0 HA ASN A 50 10.841 -2.338 9.883 1.00 0.00 H new ATOM 0 HB2 ASN A 50 10.535 -1.653 12.318 1.00 0.00 H new ATOM 0 HB3 ASN A 50 9.078 -2.626 12.374 1.00 0.00 H new ATOM 0 HD21 ASN A 50 12.759 -4.487 12.463 1.00 0.00 H new ATOM 0 HD22 ASN A 50 12.633 -2.751 12.160 1.00 0.00 H new ATOM 877 N SER A 51 7.745 -3.434 10.055 1.00 0.00 N ATOM 878 CA SER A 51 6.806 -4.474 9.638 1.00 0.00 C ATOM 879 C SER A 51 6.253 -4.240 8.232 1.00 0.00 C ATOM 880 O SER A 51 6.239 -5.152 7.404 1.00 0.00 O ATOM 881 CB SER A 51 5.640 -4.505 10.630 1.00 0.00 C ATOM 882 OG SER A 51 5.312 -5.856 10.925 1.00 0.00 O ATOM 0 H SER A 51 7.303 -2.641 10.521 1.00 0.00 H new ATOM 0 HA SER A 51 7.345 -5.421 9.623 1.00 0.00 H new ATOM 0 HB2 SER A 51 5.911 -3.976 11.544 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.775 -3.992 10.209 1.00 0.00 H new ATOM 0 HG SER A 51 4.567 -5.880 11.561 1.00 0.00 H new ATOM 888 N LEU A 52 5.773 -3.030 7.972 1.00 0.00 N ATOM 889 CA LEU A 52 5.198 -2.723 6.667 1.00 0.00 C ATOM 890 C LEU A 52 6.098 -3.225 5.544 1.00 0.00 C ATOM 891 O LEU A 52 5.676 -4.027 4.711 1.00 0.00 O ATOM 892 CB LEU A 52 4.974 -1.212 6.521 1.00 0.00 C ATOM 893 CG LEU A 52 3.647 -0.816 7.188 1.00 0.00 C ATOM 894 CD1 LEU A 52 3.504 0.707 7.181 1.00 0.00 C ATOM 895 CD2 LEU A 52 2.465 -1.440 6.425 1.00 0.00 C ATOM 0 H LEU A 52 5.769 -2.255 8.636 1.00 0.00 H new ATOM 0 HA LEU A 52 4.237 -3.233 6.595 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.799 -0.667 6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 52 4.958 -0.938 5.466 1.00 0.00 H new ATOM 0 HG LEU A 52 3.645 -1.181 8.215 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.563 0.986 7.654 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.333 1.153 7.731 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.514 1.069 6.153 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.530 -1.153 6.906 1.00 0.00 H new ATOM 0 HD22 LEU A 52 2.468 -1.083 5.395 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.559 -2.526 6.433 1.00 0.00 H new ATOM 907 N ASN A 53 7.337 -2.746 5.518 1.00 0.00 N ATOM 908 CA ASN A 53 8.272 -3.157 4.479 1.00 0.00 C ATOM 909 C ASN A 53 8.622 -4.636 4.622 1.00 0.00 C ATOM 910 O ASN A 53 9.228 -5.227 3.728 1.00 0.00 O ATOM 911 CB ASN A 53 9.544 -2.308 4.545 1.00 0.00 C ATOM 912 CG ASN A 53 10.252 -2.315 3.193 1.00 0.00 C ATOM 913 OD1 ASN A 53 10.237 -1.313 2.479 1.00 0.00 O ATOM 914 ND2 ASN A 53 10.872 -3.392 2.798 1.00 0.00 N ATOM 0 H ASN A 53 7.713 -2.082 6.195 1.00 0.00 H new ATOM 0 HA ASN A 53 7.795 -3.006 3.510 1.00 0.00 H new ATOM 0 HB2 ASN A 53 9.293 -1.285 4.827 1.00 0.00 H new ATOM 0 HB3 ASN A 53 10.210 -2.697 5.315 1.00 0.00 H new ATOM 0 HD21 ASN A 53 11.346 -3.405 1.895 1.00 0.00 H new ATOM 0 HD22 ASN A 53 10.883 -4.221 3.392 1.00 0.00 H new ATOM 921 N ASP A 54 8.233 -5.236 5.746 1.00 0.00 N ATOM 922 CA ASP A 54 8.513 -6.649 5.972 1.00 0.00 C ATOM 923 C ASP A 54 7.544 -7.514 5.173 1.00 0.00 C ATOM 924 O ASP A 54 7.872 -8.633 4.778 1.00 0.00 O ATOM 925 CB ASP A 54 8.382 -6.982 7.461 1.00 0.00 C ATOM 926 CG ASP A 54 9.159 -8.254 7.785 1.00 0.00 C ATOM 927 OD1 ASP A 54 9.742 -8.311 8.855 1.00 0.00 O ATOM 928 OD2 ASP A 54 9.159 -9.151 6.959 1.00 0.00 O ATOM 0 H ASP A 54 7.731 -4.772 6.503 1.00 0.00 H new ATOM 0 HA ASP A 54 9.532 -6.855 5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 54 8.759 -6.154 8.061 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.332 -7.112 7.721 1.00 0.00 H new ATOM 933 N ASN A 55 6.345 -6.985 4.943 1.00 0.00 N ATOM 934 CA ASN A 55 5.328 -7.714 4.193 1.00 0.00 C ATOM 935 C ASN A 55 4.204 -6.779 3.753 1.00 0.00 C ATOM 936 O ASN A 55 3.028 -7.046 4.005 1.00 0.00 O ATOM 937 CB ASN A 55 4.751 -8.835 5.060 1.00 0.00 C ATOM 938 CG ASN A 55 4.018 -9.849 4.188 1.00 0.00 C ATOM 939 OD1 ASN A 55 3.753 -9.584 3.015 1.00 0.00 O ATOM 940 ND2 ASN A 55 3.672 -11.001 4.694 1.00 0.00 N ATOM 0 H ASN A 55 6.056 -6.061 5.263 1.00 0.00 H new ATOM 0 HA ASN A 55 5.795 -8.139 3.304 1.00 0.00 H new ATOM 0 HB2 ASN A 55 5.552 -9.329 5.610 1.00 0.00 H new ATOM 0 HB3 ASN A 55 4.067 -8.418 5.799 1.00 0.00 H new ATOM 0 HD21 ASN A 55 3.181 -11.684 4.118 1.00 0.00 H new ATOM 0 HD22 ASN A 55 3.893 -11.218 5.666 1.00 0.00 H new ATOM 947 N SER A 56 4.570 -5.682 3.095 1.00 0.00 N ATOM 948 CA SER A 56 3.580 -4.718 2.625 1.00 0.00 C ATOM 949 C SER A 56 2.939 -5.198 1.325 1.00 0.00 C ATOM 950 O SER A 56 1.911 -5.874 1.347 1.00 0.00 O ATOM 951 CB SER A 56 4.243 -3.356 2.403 1.00 0.00 C ATOM 952 OG SER A 56 5.569 -3.553 1.927 1.00 0.00 O ATOM 0 H SER A 56 5.537 -5.440 2.877 1.00 0.00 H new ATOM 0 HA SER A 56 2.803 -4.622 3.383 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.669 -2.772 1.684 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.259 -2.790 3.334 1.00 0.00 H new ATOM 0 HG SER A 56 5.997 -2.683 1.782 1.00 0.00 H new ATOM 958 N GLU A 57 3.549 -4.833 0.198 1.00 0.00 N ATOM 959 CA GLU A 57 3.032 -5.223 -1.113 1.00 0.00 C ATOM 960 C GLU A 57 1.738 -4.479 -1.422 1.00 0.00 C ATOM 961 O GLU A 57 0.738 -5.085 -1.795 1.00 0.00 O ATOM 962 CB GLU A 57 2.786 -6.736 -1.165 1.00 0.00 C ATOM 963 CG GLU A 57 4.025 -7.475 -0.649 1.00 0.00 C ATOM 964 CD GLU A 57 3.814 -8.982 -0.747 1.00 0.00 C ATOM 965 OE1 GLU A 57 2.670 -9.404 -0.695 1.00 0.00 O ATOM 966 OE2 GLU A 57 4.799 -9.691 -0.871 1.00 0.00 O ATOM 0 H GLU A 57 4.399 -4.270 0.166 1.00 0.00 H new ATOM 0 HA GLU A 57 3.778 -4.960 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 57 1.917 -6.995 -0.560 1.00 0.00 H new ATOM 0 HB3 GLU A 57 2.565 -7.044 -2.187 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.900 -7.184 -1.230 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.221 -7.194 0.386 1.00 0.00 H new ATOM 973 N ILE A 58 1.765 -3.159 -1.260 1.00 0.00 N ATOM 974 CA ILE A 58 0.588 -2.338 -1.522 1.00 0.00 C ATOM 975 C ILE A 58 0.238 -2.339 -3.009 1.00 0.00 C ATOM 976 O ILE A 58 -0.790 -1.794 -3.411 1.00 0.00 O ATOM 977 CB ILE A 58 0.846 -0.902 -1.053 1.00 0.00 C ATOM 978 CG1 ILE A 58 1.320 -0.911 0.408 1.00 0.00 C ATOM 979 CG2 ILE A 58 -0.432 -0.073 -1.174 1.00 0.00 C ATOM 980 CD1 ILE A 58 0.330 -1.689 1.280 1.00 0.00 C ATOM 0 H ILE A 58 2.585 -2.638 -0.950 1.00 0.00 H new ATOM 0 HA ILE A 58 -0.253 -2.759 -0.972 1.00 0.00 H new ATOM 0 HB ILE A 58 1.618 -0.458 -1.681 1.00 0.00 H new ATOM 0 HG12 ILE A 58 2.309 -1.365 0.474 1.00 0.00 H new ATOM 0 HG13 ILE A 58 1.413 0.111 0.774 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -0.238 0.946 -0.838 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -0.758 -0.056 -2.214 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -1.213 -0.516 -0.556 1.00 0.00 H new ATOM 0 HD11 ILE A 58 0.677 -1.688 2.313 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -0.651 -1.217 1.226 1.00 0.00 H new ATOM 0 HD13 ILE A 58 0.259 -2.716 0.922 1.00 0.00 H new ATOM 992 N ILE A 59 1.087 -2.960 -3.823 1.00 0.00 N ATOM 993 CA ILE A 59 0.833 -3.028 -5.261 1.00 0.00 C ATOM 994 C ILE A 59 -0.185 -4.130 -5.550 1.00 0.00 C ATOM 995 O ILE A 59 -0.660 -4.281 -6.674 1.00 0.00 O ATOM 996 CB ILE A 59 2.139 -3.308 -6.011 1.00 0.00 C ATOM 997 CG1 ILE A 59 1.837 -3.568 -7.491 1.00 0.00 C ATOM 998 CG2 ILE A 59 2.823 -4.536 -5.408 1.00 0.00 C ATOM 999 CD1 ILE A 59 3.122 -3.417 -8.309 1.00 0.00 C ATOM 0 H ILE A 59 1.946 -3.418 -3.518 1.00 0.00 H new ATOM 0 HA ILE A 59 0.432 -2.073 -5.601 1.00 0.00 H new ATOM 0 HB ILE A 59 2.798 -2.444 -5.922 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.428 -4.570 -7.619 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.082 -2.867 -7.848 1.00 0.00 H new ATOM 0 HG21 ILE A 59 3.752 -4.734 -5.943 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.042 -4.351 -4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 59 2.163 -5.399 -5.495 1.00 0.00 H new ATOM 0 HD11 ILE A 59 2.907 -3.602 -9.361 1.00 0.00 H new ATOM 0 HD12 ILE A 59 3.512 -2.406 -8.190 1.00 0.00 H new ATOM 0 HD13 ILE A 59 3.863 -4.135 -7.958 1.00 0.00 H new ATOM 1011 N HIS A 60 -0.515 -4.882 -4.507 1.00 0.00 N ATOM 1012 CA HIS A 60 -1.486 -5.969 -4.598 1.00 0.00 C ATOM 1013 C HIS A 60 -2.907 -5.425 -4.733 1.00 0.00 C ATOM 1014 O HIS A 60 -3.819 -6.159 -5.111 1.00 0.00 O ATOM 1015 CB HIS A 60 -1.385 -6.844 -3.340 1.00 0.00 C ATOM 1016 CG HIS A 60 -0.487 -8.021 -3.617 1.00 0.00 C ATOM 1017 ND1 HIS A 60 0.556 -8.372 -2.774 1.00 0.00 N ATOM 1018 CD2 HIS A 60 -0.464 -8.934 -4.642 1.00 0.00 C ATOM 1019 CE1 HIS A 60 1.157 -9.453 -3.302 1.00 0.00 C ATOM 1020 NE2 HIS A 60 0.575 -9.837 -4.441 1.00 0.00 N ATOM 0 H HIS A 60 -0.119 -4.757 -3.575 1.00 0.00 H new ATOM 0 HA HIS A 60 -1.263 -6.562 -5.485 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -0.990 -6.260 -2.509 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.375 -7.190 -3.045 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.148 -8.949 -5.477 1.00 0.00 H new ATOM 0 HE1 HIS A 60 2.007 -9.950 -2.859 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.836 -10.623 -5.036 1.00 0.00 H new ATOM 1029 N LEU A 61 -3.099 -4.145 -4.432 1.00 0.00 N ATOM 1030 CA LEU A 61 -4.423 -3.533 -4.535 1.00 0.00 C ATOM 1031 C LEU A 61 -4.332 -2.238 -5.334 1.00 0.00 C ATOM 1032 O LEU A 61 -5.149 -1.977 -6.218 1.00 0.00 O ATOM 1033 CB LEU A 61 -4.981 -3.247 -3.133 1.00 0.00 C ATOM 1034 CG LEU A 61 -4.177 -4.028 -2.084 1.00 0.00 C ATOM 1035 CD1 LEU A 61 -2.790 -3.390 -1.896 1.00 0.00 C ATOM 1036 CD2 LEU A 61 -4.932 -4.009 -0.752 1.00 0.00 C ATOM 0 H LEU A 61 -2.362 -3.514 -4.117 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.095 -4.222 -5.047 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.930 -2.179 -2.922 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -6.032 -3.532 -3.085 1.00 0.00 H new ATOM 0 HG LEU A 61 -4.051 -5.056 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.229 -3.952 -1.150 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -2.251 -3.406 -2.843 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.906 -2.359 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.364 -4.563 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.060 -2.978 -0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.910 -4.472 -0.882 1.00 0.00 H new ATOM 1048 N ALA A 62 -3.330 -1.435 -5.008 1.00 0.00 N ATOM 1049 CA ALA A 62 -3.119 -0.164 -5.684 1.00 0.00 C ATOM 1050 C ALA A 62 -3.021 -0.350 -7.197 1.00 0.00 C ATOM 1051 O ALA A 62 -3.276 0.582 -7.959 1.00 0.00 O ATOM 1052 CB ALA A 62 -1.829 0.473 -5.169 1.00 0.00 C ATOM 0 H ALA A 62 -2.649 -1.642 -4.278 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.971 0.482 -5.473 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -1.667 1.426 -5.673 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -1.909 0.640 -4.095 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -0.989 -0.192 -5.371 1.00 0.00 H new ATOM 1058 N GLU A 63 -2.628 -1.544 -7.628 1.00 0.00 N ATOM 1059 CA GLU A 63 -2.477 -1.811 -9.053 1.00 0.00 C ATOM 1060 C GLU A 63 -3.805 -1.652 -9.789 1.00 0.00 C ATOM 1061 O GLU A 63 -3.882 -1.874 -10.998 1.00 0.00 O ATOM 1062 CB GLU A 63 -1.941 -3.228 -9.266 1.00 0.00 C ATOM 1063 CG GLU A 63 -2.870 -4.234 -8.580 1.00 0.00 C ATOM 1064 CD GLU A 63 -2.547 -5.648 -9.050 1.00 0.00 C ATOM 1065 OE1 GLU A 63 -3.360 -6.215 -9.761 1.00 0.00 O ATOM 1066 OE2 GLU A 63 -1.490 -6.143 -8.693 1.00 0.00 O ATOM 0 H GLU A 63 -2.411 -2.333 -7.019 1.00 0.00 H new ATOM 0 HA GLU A 63 -1.770 -1.086 -9.457 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -1.874 -3.447 -10.332 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -0.933 -3.312 -8.860 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -2.756 -4.167 -7.498 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.909 -3.995 -8.807 1.00 0.00 H new ATOM 1073 N SER A 64 -4.850 -1.273 -9.059 1.00 0.00 N ATOM 1074 CA SER A 64 -6.167 -1.098 -9.666 1.00 0.00 C ATOM 1075 C SER A 64 -6.415 0.365 -10.021 1.00 0.00 C ATOM 1076 O SER A 64 -6.485 0.721 -11.197 1.00 0.00 O ATOM 1077 CB SER A 64 -7.253 -1.587 -8.707 1.00 0.00 C ATOM 1078 OG SER A 64 -7.481 -0.597 -7.712 1.00 0.00 O ATOM 0 H SER A 64 -4.813 -1.083 -8.058 1.00 0.00 H new ATOM 0 HA SER A 64 -6.200 -1.686 -10.583 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.174 -1.788 -9.254 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.948 -2.524 -8.241 1.00 0.00 H new ATOM 0 HG SER A 64 -8.280 -0.831 -7.195 1.00 0.00 H new ATOM 1084 N LEU A 65 -6.560 1.206 -9.000 1.00 0.00 N ATOM 1085 CA LEU A 65 -6.812 2.628 -9.216 1.00 0.00 C ATOM 1086 C LEU A 65 -6.004 3.148 -10.405 1.00 0.00 C ATOM 1087 O LEU A 65 -6.380 4.136 -11.036 1.00 0.00 O ATOM 1088 CB LEU A 65 -6.457 3.419 -7.946 1.00 0.00 C ATOM 1089 CG LEU A 65 -7.585 4.397 -7.590 1.00 0.00 C ATOM 1090 CD1 LEU A 65 -7.795 5.389 -8.743 1.00 0.00 C ATOM 1091 CD2 LEU A 65 -8.886 3.620 -7.324 1.00 0.00 C ATOM 0 H LEU A 65 -6.508 0.929 -8.020 1.00 0.00 H new ATOM 0 HA LEU A 65 -7.870 2.763 -9.439 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.289 2.731 -7.117 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.527 3.967 -8.100 1.00 0.00 H new ATOM 0 HG LEU A 65 -7.310 4.948 -6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.597 6.081 -8.486 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -6.875 5.947 -8.915 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.063 4.844 -9.648 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -9.683 4.320 -7.072 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.164 3.060 -8.217 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.734 2.929 -6.495 1.00 0.00 H new ATOM 1103 N TYR A 66 -4.900 2.471 -10.711 1.00 0.00 N ATOM 1104 CA TYR A 66 -4.050 2.867 -11.833 1.00 0.00 C ATOM 1105 C TYR A 66 -3.986 1.742 -12.861 1.00 0.00 C ATOM 1106 O TYR A 66 -4.532 0.660 -12.643 1.00 0.00 O ATOM 1107 CB TYR A 66 -2.631 3.179 -11.344 1.00 0.00 C ATOM 1108 CG TYR A 66 -2.666 4.271 -10.298 1.00 0.00 C ATOM 1109 CD1 TYR A 66 -2.192 5.552 -10.608 1.00 0.00 C ATOM 1110 CD2 TYR A 66 -3.163 4.000 -9.018 1.00 0.00 C ATOM 1111 CE1 TYR A 66 -2.217 6.562 -9.637 1.00 0.00 C ATOM 1112 CE2 TYR A 66 -3.189 5.011 -8.048 1.00 0.00 C ATOM 1113 CZ TYR A 66 -2.717 6.290 -8.358 1.00 0.00 C ATOM 1114 OH TYR A 66 -2.742 7.285 -7.401 1.00 0.00 O ATOM 0 H TYR A 66 -4.573 1.650 -10.202 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.478 3.759 -12.290 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -2.177 2.280 -10.927 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -2.009 3.490 -12.184 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.807 5.761 -11.595 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -3.526 3.012 -8.778 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.851 7.550 -9.875 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -3.574 4.802 -7.061 1.00 0.00 H new ATOM 0 HH TYR A 66 -3.120 6.930 -6.570 1.00 0.00 H new ATOM 1124 N GLU A 67 -3.320 2.002 -13.980 1.00 0.00 N ATOM 1125 CA GLU A 67 -3.198 0.997 -15.032 1.00 0.00 C ATOM 1126 C GLU A 67 -2.414 -0.212 -14.530 1.00 0.00 C ATOM 1127 O GLU A 67 -2.604 -1.330 -15.008 1.00 0.00 O ATOM 1128 CB GLU A 67 -2.493 1.597 -16.250 1.00 0.00 C ATOM 1129 CG GLU A 67 -1.033 1.895 -15.904 1.00 0.00 C ATOM 1130 CD GLU A 67 -0.406 2.757 -16.993 1.00 0.00 C ATOM 1131 OE1 GLU A 67 0.336 3.663 -16.649 1.00 0.00 O ATOM 1132 OE2 GLU A 67 -0.678 2.500 -18.154 1.00 0.00 O ATOM 0 H GLU A 67 -2.860 2.890 -14.182 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.199 0.673 -15.317 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -2.544 0.904 -17.090 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -2.998 2.512 -16.561 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -0.975 2.408 -14.944 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -0.477 0.963 -15.801 1.00 0.00 H new ATOM 1139 N GLY A 68 -1.533 0.020 -13.562 1.00 0.00 N ATOM 1140 CA GLY A 68 -0.725 -1.057 -13.002 1.00 0.00 C ATOM 1141 C GLY A 68 0.463 -0.498 -12.229 1.00 0.00 C ATOM 1142 O GLY A 68 1.564 -0.373 -12.767 1.00 0.00 O ATOM 0 H GLY A 68 -1.361 0.938 -13.151 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -1.337 -1.671 -12.342 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -0.370 -1.706 -13.803 1.00 0.00 H new ATOM 1146 N ILE A 69 0.235 -0.160 -10.964 1.00 0.00 N ATOM 1147 CA ILE A 69 1.295 0.388 -10.126 1.00 0.00 C ATOM 1148 C ILE A 69 2.580 -0.413 -10.297 1.00 0.00 C ATOM 1149 O ILE A 69 2.547 -1.627 -10.503 1.00 0.00 O ATOM 1150 CB ILE A 69 0.865 0.364 -8.656 1.00 0.00 C ATOM 1151 CG1 ILE A 69 -0.300 1.342 -8.443 1.00 0.00 C ATOM 1152 CG2 ILE A 69 2.046 0.760 -7.764 1.00 0.00 C ATOM 1153 CD1 ILE A 69 0.226 2.765 -8.209 1.00 0.00 C ATOM 0 H ILE A 69 -0.668 -0.255 -10.499 1.00 0.00 H new ATOM 0 HA ILE A 69 1.480 1.418 -10.432 1.00 0.00 H new ATOM 0 HB ILE A 69 0.541 -0.643 -8.392 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -0.956 1.329 -9.313 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -0.897 1.024 -7.589 1.00 0.00 H new ATOM 0 HG21 ILE A 69 1.735 0.741 -6.719 1.00 0.00 H new ATOM 0 HG22 ILE A 69 2.865 0.056 -7.911 1.00 0.00 H new ATOM 0 HG23 ILE A 69 2.379 1.764 -8.026 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -0.614 3.444 -8.060 1.00 0.00 H new ATOM 0 HD12 ILE A 69 0.863 2.777 -7.325 1.00 0.00 H new ATOM 0 HD13 ILE A 69 0.803 3.087 -9.076 1.00 0.00 H new ATOM 1165 N LYS A 70 3.711 0.277 -10.210 1.00 0.00 N ATOM 1166 CA LYS A 70 5.012 -0.364 -10.354 1.00 0.00 C ATOM 1167 C LYS A 70 5.527 -0.837 -8.995 1.00 0.00 C ATOM 1168 O LYS A 70 6.045 -1.947 -8.870 1.00 0.00 O ATOM 1169 CB LYS A 70 6.003 0.640 -10.962 1.00 0.00 C ATOM 1170 CG LYS A 70 6.245 0.316 -12.443 1.00 0.00 C ATOM 1171 CD LYS A 70 7.246 -0.838 -12.569 1.00 0.00 C ATOM 1172 CE LYS A 70 7.714 -0.951 -14.021 1.00 0.00 C ATOM 1173 NZ LYS A 70 8.666 0.156 -14.323 1.00 0.00 N ATOM 0 H LYS A 70 3.753 1.282 -10.040 1.00 0.00 H new ATOM 0 HA LYS A 70 4.913 -1.230 -11.008 1.00 0.00 H new ATOM 0 HB2 LYS A 70 5.613 1.653 -10.863 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.946 0.607 -10.416 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.304 0.047 -12.924 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.626 1.197 -12.959 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.099 -0.667 -11.913 1.00 0.00 H new ATOM 0 HD3 LYS A 70 6.782 -1.772 -12.251 1.00 0.00 H new ATOM 0 HE2 LYS A 70 8.196 -1.915 -14.185 1.00 0.00 H new ATOM 0 HE3 LYS A 70 6.859 -0.904 -14.695 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.235 -0.093 -15.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 8.134 1.029 -14.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 9.294 0.306 -13.508 1.00 0.00 H new ATOM 1187 N SER A 71 5.379 0.012 -7.980 1.00 0.00 N ATOM 1188 CA SER A 71 5.834 -0.332 -6.636 1.00 0.00 C ATOM 1189 C SER A 71 5.327 0.682 -5.612 1.00 0.00 C ATOM 1190 O SER A 71 4.771 1.720 -5.972 1.00 0.00 O ATOM 1191 CB SER A 71 7.364 -0.372 -6.598 1.00 0.00 C ATOM 1192 OG SER A 71 7.855 -0.886 -7.829 1.00 0.00 O ATOM 0 H SER A 71 4.952 0.935 -8.062 1.00 0.00 H new ATOM 0 HA SER A 71 5.434 -1.314 -6.383 1.00 0.00 H new ATOM 0 HB2 SER A 71 7.760 0.629 -6.425 1.00 0.00 H new ATOM 0 HB3 SER A 71 7.702 -0.996 -5.770 1.00 0.00 H new ATOM 0 HG SER A 71 7.355 -1.694 -8.069 1.00 0.00 H new ATOM 1198 N VAL A 72 5.528 0.370 -4.334 1.00 0.00 N ATOM 1199 CA VAL A 72 5.097 1.253 -3.252 1.00 0.00 C ATOM 1200 C VAL A 72 6.060 1.143 -2.073 1.00 0.00 C ATOM 1201 O VAL A 72 6.607 0.073 -1.807 1.00 0.00 O ATOM 1202 CB VAL A 72 3.686 0.880 -2.797 1.00 0.00 C ATOM 1203 CG1 VAL A 72 3.183 1.905 -1.778 1.00 0.00 C ATOM 1204 CG2 VAL A 72 2.746 0.858 -4.005 1.00 0.00 C ATOM 0 H VAL A 72 5.986 -0.486 -4.022 1.00 0.00 H new ATOM 0 HA VAL A 72 5.094 2.279 -3.620 1.00 0.00 H new ATOM 0 HB VAL A 72 3.708 -0.107 -2.335 1.00 0.00 H new ATOM 0 HG11 VAL A 72 2.177 1.635 -1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 72 3.849 1.917 -0.915 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.164 2.894 -2.236 1.00 0.00 H new ATOM 0 HG21 VAL A 72 1.741 0.592 -3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.728 1.844 -4.470 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.099 0.123 -4.728 1.00 0.00 H new ATOM 1214 N ASN A 73 6.273 2.257 -1.375 1.00 0.00 N ATOM 1215 CA ASN A 73 7.187 2.264 -0.237 1.00 0.00 C ATOM 1216 C ASN A 73 7.004 3.512 0.626 1.00 0.00 C ATOM 1217 O ASN A 73 6.553 4.558 0.157 1.00 0.00 O ATOM 1218 CB ASN A 73 8.632 2.199 -0.736 1.00 0.00 C ATOM 1219 CG ASN A 73 9.561 1.781 0.399 1.00 0.00 C ATOM 1220 OD1 ASN A 73 9.762 2.595 1.399 1.00 0.00 O flip ATOM 1221 ND2 ASN A 73 10.115 0.683 0.375 1.00 0.00 N flip ATOM 0 H ASN A 73 5.831 3.155 -1.574 1.00 0.00 H new ATOM 0 HA ASN A 73 6.962 1.392 0.377 1.00 0.00 H new ATOM 0 HB2 ASN A 73 8.709 1.489 -1.559 1.00 0.00 H new ATOM 0 HB3 ASN A 73 8.935 3.171 -1.125 1.00 0.00 H new ATOM 0 HD21 ASN A 73 9.956 0.049 -0.408 1.00 0.00 H new ATOM 0 HD22 ASN A 73 10.733 0.407 1.138 1.00 0.00 H new ATOM 1228 N PHE A 74 7.371 3.378 1.900 1.00 0.00 N ATOM 1229 CA PHE A 74 7.269 4.475 2.861 1.00 0.00 C ATOM 1230 C PHE A 74 8.592 4.618 3.609 1.00 0.00 C ATOM 1231 O PHE A 74 9.277 3.627 3.861 1.00 0.00 O ATOM 1232 CB PHE A 74 6.129 4.202 3.861 1.00 0.00 C ATOM 1233 CG PHE A 74 5.329 2.997 3.416 1.00 0.00 C ATOM 1234 CD1 PHE A 74 5.936 1.736 3.367 1.00 0.00 C ATOM 1235 CD2 PHE A 74 3.984 3.140 3.054 1.00 0.00 C ATOM 1236 CE1 PHE A 74 5.197 0.619 2.957 1.00 0.00 C ATOM 1237 CE2 PHE A 74 3.246 2.024 2.643 1.00 0.00 C ATOM 1238 CZ PHE A 74 3.852 0.763 2.595 1.00 0.00 C ATOM 0 H PHE A 74 7.744 2.514 2.292 1.00 0.00 H new ATOM 0 HA PHE A 74 7.051 5.400 2.327 1.00 0.00 H new ATOM 0 HB2 PHE A 74 6.540 4.029 4.856 1.00 0.00 H new ATOM 0 HB3 PHE A 74 5.479 5.074 3.932 1.00 0.00 H new ATOM 0 HD1 PHE A 74 6.974 1.625 3.645 1.00 0.00 H new ATOM 0 HD2 PHE A 74 3.516 4.112 3.092 1.00 0.00 H new ATOM 0 HE1 PHE A 74 5.665 -0.354 2.920 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.209 2.136 2.363 1.00 0.00 H new ATOM 0 HZ PHE A 74 3.282 -0.098 2.279 1.00 0.00 H new ATOM 1248 N VAL A 75 8.954 5.849 3.959 1.00 0.00 N ATOM 1249 CA VAL A 75 10.209 6.083 4.672 1.00 0.00 C ATOM 1250 C VAL A 75 10.094 7.290 5.596 1.00 0.00 C ATOM 1251 O VAL A 75 8.995 7.705 5.951 1.00 0.00 O ATOM 1252 CB VAL A 75 11.344 6.311 3.672 1.00 0.00 C ATOM 1253 CG1 VAL A 75 11.475 5.093 2.756 1.00 0.00 C ATOM 1254 CG2 VAL A 75 11.038 7.551 2.831 1.00 0.00 C ATOM 0 H VAL A 75 8.408 6.688 3.765 1.00 0.00 H new ATOM 0 HA VAL A 75 10.425 5.202 5.276 1.00 0.00 H new ATOM 0 HB VAL A 75 12.279 6.458 4.213 1.00 0.00 H new ATOM 0 HG11 VAL A 75 12.284 5.258 2.045 1.00 0.00 H new ATOM 0 HG12 VAL A 75 11.693 4.209 3.355 1.00 0.00 H new ATOM 0 HG13 VAL A 75 10.541 4.943 2.215 1.00 0.00 H new ATOM 0 HG21 VAL A 75 11.846 7.715 2.118 1.00 0.00 H new ATOM 0 HG22 VAL A 75 10.102 7.403 2.292 1.00 0.00 H new ATOM 0 HG23 VAL A 75 10.948 8.420 3.483 1.00 0.00 H new ATOM 1264 N ASN A 76 11.240 7.847 5.990 1.00 0.00 N ATOM 1265 CA ASN A 76 11.249 9.006 6.882 1.00 0.00 C ATOM 1266 C ASN A 76 11.445 10.300 6.097 1.00 0.00 C ATOM 1267 O ASN A 76 11.839 10.285 4.932 1.00 0.00 O ATOM 1268 CB ASN A 76 12.365 8.867 7.925 1.00 0.00 C ATOM 1269 CG ASN A 76 13.510 8.030 7.364 1.00 0.00 C ATOM 1270 OD1 ASN A 76 13.384 6.813 7.228 1.00 0.00 O ATOM 1271 ND2 ASN A 76 14.628 8.613 7.029 1.00 0.00 N ATOM 0 H ASN A 76 12.164 7.519 5.709 1.00 0.00 H new ATOM 0 HA ASN A 76 10.284 9.046 7.387 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.732 9.853 8.210 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.972 8.400 8.828 1.00 0.00 H new ATOM 0 HD21 ASN A 76 15.399 8.060 6.654 1.00 0.00 H new ATOM 0 HD22 ASN A 76 14.731 9.621 7.142 1.00 0.00 H new ATOM 1278 N GLU A 77 11.149 11.414 6.755 1.00 0.00 N ATOM 1279 CA GLU A 77 11.270 12.730 6.135 1.00 0.00 C ATOM 1280 C GLU A 77 12.484 12.808 5.216 1.00 0.00 C ATOM 1281 O GLU A 77 12.345 12.876 3.996 1.00 0.00 O ATOM 1282 CB GLU A 77 11.378 13.805 7.217 1.00 0.00 C ATOM 1283 CG GLU A 77 11.138 15.183 6.596 1.00 0.00 C ATOM 1284 CD GLU A 77 11.117 16.249 7.686 1.00 0.00 C ATOM 1285 OE1 GLU A 77 11.350 17.402 7.362 1.00 0.00 O ATOM 1286 OE2 GLU A 77 10.868 15.898 8.826 1.00 0.00 O ATOM 0 H GLU A 77 10.822 11.433 7.721 1.00 0.00 H new ATOM 0 HA GLU A 77 10.378 12.898 5.532 1.00 0.00 H new ATOM 0 HB2 GLU A 77 10.648 13.618 8.004 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.364 13.771 7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 77 11.922 15.406 5.872 1.00 0.00 H new ATOM 0 HG3 GLU A 77 10.193 15.187 6.053 1.00 0.00 H new ATOM 1293 N GLN A 78 13.675 12.815 5.807 1.00 0.00 N ATOM 1294 CA GLN A 78 14.903 12.906 5.025 1.00 0.00 C ATOM 1295 C GLN A 78 14.899 11.897 3.886 1.00 0.00 C ATOM 1296 O GLN A 78 15.119 12.253 2.728 1.00 0.00 O ATOM 1297 CB GLN A 78 16.114 12.657 5.925 1.00 0.00 C ATOM 1298 CG GLN A 78 16.345 13.876 6.821 1.00 0.00 C ATOM 1299 CD GLN A 78 17.569 13.650 7.702 1.00 0.00 C ATOM 1300 OE1 GLN A 78 17.453 13.596 8.926 1.00 0.00 O ATOM 1301 NE2 GLN A 78 18.743 13.515 7.148 1.00 0.00 N ATOM 0 H GLN A 78 13.816 12.759 6.816 1.00 0.00 H new ATOM 0 HA GLN A 78 14.962 13.908 4.601 1.00 0.00 H new ATOM 0 HB2 GLN A 78 15.950 11.769 6.536 1.00 0.00 H new ATOM 0 HB3 GLN A 78 16.999 12.466 5.317 1.00 0.00 H new ATOM 0 HG2 GLN A 78 16.487 14.766 6.209 1.00 0.00 H new ATOM 0 HG3 GLN A 78 15.467 14.053 7.442 1.00 0.00 H new ATOM 0 HE21 GLN A 78 18.836 13.560 6.133 1.00 0.00 H new ATOM 0 HE22 GLN A 78 19.567 13.364 7.730 1.00 0.00 H new ATOM 1310 N ASP A 79 14.650 10.638 4.217 1.00 0.00 N ATOM 1311 CA ASP A 79 14.625 9.592 3.202 1.00 0.00 C ATOM 1312 C ASP A 79 13.732 10.008 2.038 1.00 0.00 C ATOM 1313 O ASP A 79 14.200 10.160 0.908 1.00 0.00 O ATOM 1314 CB ASP A 79 14.116 8.283 3.806 1.00 0.00 C ATOM 1315 CG ASP A 79 15.234 7.601 4.590 1.00 0.00 C ATOM 1316 OD1 ASP A 79 15.228 6.383 4.654 1.00 0.00 O ATOM 1317 OD2 ASP A 79 16.080 8.307 5.114 1.00 0.00 O ATOM 0 H ASP A 79 14.465 10.318 5.167 1.00 0.00 H new ATOM 0 HA ASP A 79 15.639 9.441 2.833 1.00 0.00 H new ATOM 0 HB2 ASP A 79 13.269 8.481 4.462 1.00 0.00 H new ATOM 0 HB3 ASP A 79 13.759 7.622 3.016 1.00 0.00 H new ATOM 1322 N PHE A 80 12.445 10.203 2.317 1.00 0.00 N ATOM 1323 CA PHE A 80 11.504 10.614 1.280 1.00 0.00 C ATOM 1324 C PHE A 80 12.135 11.689 0.401 1.00 0.00 C ATOM 1325 O PHE A 80 12.026 11.648 -0.824 1.00 0.00 O ATOM 1326 CB PHE A 80 10.219 11.149 1.929 1.00 0.00 C ATOM 1327 CG PHE A 80 9.567 12.172 1.024 1.00 0.00 C ATOM 1328 CD1 PHE A 80 8.984 11.769 -0.182 1.00 0.00 C ATOM 1329 CD2 PHE A 80 9.550 13.524 1.393 1.00 0.00 C ATOM 1330 CE1 PHE A 80 8.382 12.716 -1.019 1.00 0.00 C ATOM 1331 CE2 PHE A 80 8.948 14.471 0.555 1.00 0.00 C ATOM 1332 CZ PHE A 80 8.364 14.067 -0.651 1.00 0.00 C ATOM 0 H PHE A 80 12.034 10.084 3.243 1.00 0.00 H new ATOM 0 HA PHE A 80 11.257 9.753 0.659 1.00 0.00 H new ATOM 0 HB2 PHE A 80 9.529 10.327 2.119 1.00 0.00 H new ATOM 0 HB3 PHE A 80 10.450 11.600 2.894 1.00 0.00 H new ATOM 0 HD1 PHE A 80 8.998 10.727 -0.467 1.00 0.00 H new ATOM 0 HD2 PHE A 80 10.001 13.836 2.324 1.00 0.00 H new ATOM 0 HE1 PHE A 80 7.931 12.404 -1.950 1.00 0.00 H new ATOM 0 HE2 PHE A 80 8.934 15.513 0.839 1.00 0.00 H new ATOM 0 HZ PHE A 80 7.900 14.797 -1.298 1.00 0.00 H new ATOM 1342 N PHE A 81 12.799 12.648 1.040 1.00 0.00 N ATOM 1343 CA PHE A 81 13.450 13.728 0.309 1.00 0.00 C ATOM 1344 C PHE A 81 14.482 13.164 -0.661 1.00 0.00 C ATOM 1345 O PHE A 81 14.309 13.239 -1.876 1.00 0.00 O ATOM 1346 CB PHE A 81 14.130 14.691 1.290 1.00 0.00 C ATOM 1347 CG PHE A 81 14.077 16.092 0.725 1.00 0.00 C ATOM 1348 CD1 PHE A 81 15.244 16.704 0.251 1.00 0.00 C ATOM 1349 CD2 PHE A 81 12.856 16.775 0.669 1.00 0.00 C ATOM 1350 CE1 PHE A 81 15.188 17.999 -0.281 1.00 0.00 C ATOM 1351 CE2 PHE A 81 12.801 18.069 0.138 1.00 0.00 C ATOM 1352 CZ PHE A 81 13.967 18.681 -0.336 1.00 0.00 C ATOM 0 H PHE A 81 12.900 12.699 2.054 1.00 0.00 H new ATOM 0 HA PHE A 81 12.693 14.270 -0.258 1.00 0.00 H new ATOM 0 HB2 PHE A 81 13.630 14.657 2.258 1.00 0.00 H new ATOM 0 HB3 PHE A 81 15.165 14.391 1.455 1.00 0.00 H new ATOM 0 HD1 PHE A 81 16.186 16.178 0.295 1.00 0.00 H new ATOM 0 HD2 PHE A 81 11.956 16.303 1.036 1.00 0.00 H new ATOM 0 HE1 PHE A 81 16.087 18.471 -0.649 1.00 0.00 H new ATOM 0 HE2 PHE A 81 11.859 18.595 0.094 1.00 0.00 H new ATOM 0 HZ PHE A 81 13.925 19.680 -0.744 1.00 0.00 H new ATOM 1362 N PHE A 82 15.561 12.607 -0.109 1.00 0.00 N ATOM 1363 CA PHE A 82 16.631 12.030 -0.922 1.00 0.00 C ATOM 1364 C PHE A 82 16.088 11.489 -2.239 1.00 0.00 C ATOM 1365 O PHE A 82 16.721 11.628 -3.285 1.00 0.00 O ATOM 1366 CB PHE A 82 17.316 10.900 -0.148 1.00 0.00 C ATOM 1367 CG PHE A 82 18.634 10.561 -0.804 1.00 0.00 C ATOM 1368 CD1 PHE A 82 19.762 11.353 -0.559 1.00 0.00 C ATOM 1369 CD2 PHE A 82 18.729 9.452 -1.654 1.00 0.00 C ATOM 1370 CE1 PHE A 82 20.985 11.037 -1.165 1.00 0.00 C ATOM 1371 CE2 PHE A 82 19.951 9.136 -2.260 1.00 0.00 C ATOM 1372 CZ PHE A 82 21.079 9.929 -2.015 1.00 0.00 C ATOM 0 H PHE A 82 15.716 12.544 0.897 1.00 0.00 H new ATOM 0 HA PHE A 82 17.352 12.816 -1.144 1.00 0.00 H new ATOM 0 HB2 PHE A 82 17.480 11.202 0.886 1.00 0.00 H new ATOM 0 HB3 PHE A 82 16.673 10.020 -0.125 1.00 0.00 H new ATOM 0 HD1 PHE A 82 19.689 12.208 0.097 1.00 0.00 H new ATOM 0 HD2 PHE A 82 17.859 8.840 -1.842 1.00 0.00 H new ATOM 0 HE1 PHE A 82 21.855 11.648 -0.976 1.00 0.00 H new ATOM 0 HE2 PHE A 82 20.024 8.281 -2.916 1.00 0.00 H new ATOM 0 HZ PHE A 82 22.022 9.685 -2.482 1.00 0.00 H new ATOM 1382 N ASN A 83 14.906 10.882 -2.186 1.00 0.00 N ATOM 1383 CA ASN A 83 14.288 10.338 -3.390 1.00 0.00 C ATOM 1384 C ASN A 83 13.749 11.469 -4.259 1.00 0.00 C ATOM 1385 O ASN A 83 14.012 11.525 -5.461 1.00 0.00 O ATOM 1386 CB ASN A 83 13.147 9.390 -3.011 1.00 0.00 C ATOM 1387 CG ASN A 83 12.382 8.967 -4.261 1.00 0.00 C ATOM 1388 OD1 ASN A 83 11.624 9.757 -4.823 1.00 0.00 O ATOM 1389 ND2 ASN A 83 12.537 7.760 -4.732 1.00 0.00 N ATOM 0 H ASN A 83 14.362 10.755 -1.332 1.00 0.00 H new ATOM 0 HA ASN A 83 15.041 9.785 -3.951 1.00 0.00 H new ATOM 0 HB2 ASN A 83 13.546 8.511 -2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 83 12.472 9.882 -2.311 1.00 0.00 H new ATOM 0 HD21 ASN A 83 12.029 7.470 -5.568 1.00 0.00 H new ATOM 0 HD22 ASN A 83 13.166 7.107 -4.265 1.00 0.00 H new ATOM 1396 N LEU A 84 13.000 12.373 -3.637 1.00 0.00 N ATOM 1397 CA LEU A 84 12.429 13.509 -4.347 1.00 0.00 C ATOM 1398 C LEU A 84 13.516 14.530 -4.659 1.00 0.00 C ATOM 1399 O LEU A 84 13.353 15.381 -5.533 1.00 0.00 O ATOM 1400 CB LEU A 84 11.330 14.148 -3.484 1.00 0.00 C ATOM 1401 CG LEU A 84 10.873 15.481 -4.090 1.00 0.00 C ATOM 1402 CD1 LEU A 84 10.350 15.252 -5.511 1.00 0.00 C ATOM 1403 CD2 LEU A 84 9.752 16.065 -3.227 1.00 0.00 C ATOM 0 H LEU A 84 12.775 12.340 -2.643 1.00 0.00 H new ATOM 0 HA LEU A 84 11.995 13.169 -5.287 1.00 0.00 H new ATOM 0 HB2 LEU A 84 10.481 13.469 -3.405 1.00 0.00 H new ATOM 0 HB3 LEU A 84 11.703 14.311 -2.473 1.00 0.00 H new ATOM 0 HG LEU A 84 11.715 16.172 -4.124 1.00 0.00 H new ATOM 0 HD11 LEU A 84 10.027 16.202 -5.937 1.00 0.00 H new ATOM 0 HD12 LEU A 84 11.144 14.829 -6.127 1.00 0.00 H new ATOM 0 HD13 LEU A 84 9.507 14.562 -5.482 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.422 17.013 -3.652 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.914 15.369 -3.199 1.00 0.00 H new ATOM 0 HD23 LEU A 84 10.121 16.230 -2.215 1.00 0.00 H new ATOM 1415 N ALA A 85 14.630 14.444 -3.938 1.00 0.00 N ATOM 1416 CA ALA A 85 15.730 15.375 -4.155 1.00 0.00 C ATOM 1417 C ALA A 85 16.655 14.870 -5.259 1.00 0.00 C ATOM 1418 O ALA A 85 17.232 15.659 -6.008 1.00 0.00 O ATOM 1419 CB ALA A 85 16.524 15.561 -2.859 1.00 0.00 C ATOM 0 H ALA A 85 14.793 13.750 -3.209 1.00 0.00 H new ATOM 0 HA ALA A 85 15.312 16.334 -4.462 1.00 0.00 H new ATOM 0 HB1 ALA A 85 17.344 16.258 -3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 85 15.868 15.957 -2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 85 16.926 14.600 -2.538 1.00 0.00 H new ATOM 1425 N LYS A 86 16.796 13.551 -5.350 1.00 0.00 N ATOM 1426 CA LYS A 86 17.658 12.947 -6.362 1.00 0.00 C ATOM 1427 C LYS A 86 17.406 13.560 -7.735 1.00 0.00 C ATOM 1428 O LYS A 86 18.339 13.982 -8.414 1.00 0.00 O ATOM 1429 CB LYS A 86 17.405 11.437 -6.423 1.00 0.00 C ATOM 1430 CG LYS A 86 18.508 10.757 -7.245 1.00 0.00 C ATOM 1431 CD LYS A 86 19.728 10.484 -6.359 1.00 0.00 C ATOM 1432 CE LYS A 86 20.707 9.575 -7.105 1.00 0.00 C ATOM 1433 NZ LYS A 86 21.897 9.315 -6.247 1.00 0.00 N ATOM 0 H LYS A 86 16.327 12.882 -4.739 1.00 0.00 H new ATOM 0 HA LYS A 86 18.694 13.138 -6.084 1.00 0.00 H new ATOM 0 HB2 LYS A 86 17.382 11.022 -5.415 1.00 0.00 H new ATOM 0 HB3 LYS A 86 16.431 11.240 -6.871 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.136 9.822 -7.665 1.00 0.00 H new ATOM 0 HG3 LYS A 86 18.792 11.392 -8.084 1.00 0.00 H new ATOM 0 HD2 LYS A 86 20.216 11.422 -6.094 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.416 10.013 -5.427 1.00 0.00 H new ATOM 0 HE2 LYS A 86 20.221 8.635 -7.365 1.00 0.00 H new ATOM 0 HE3 LYS A 86 21.015 10.044 -8.040 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 22.562 8.697 -6.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 22.365 10.216 -6.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 21.595 8.850 -5.367 1.00 0.00 H new