USER MOD reduce.3.24.130724 H: found=0, std=0, add=837, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 832 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 67 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 80 MET CE :methyl -171:sc= -0.0256 (180deg=-0.267) USER MOD Set 2.1: A 39 HIS : no HD1:sc= -7.05! C(o=-17!,f=-11!) USER MOD Set 2.2: A 56 ASN : amide:sc= -9.79! K(o=-17!,f=-5.2) USER MOD Set 3.1: A 31 ASN : amide:sc= -1.34 X(o=-7.7,f=-8!) USER MOD Set 3.2: A 33 HIS : no HE2:sc= -6.38! C(o=-7.7!,f=-13!) USER MOD Set 4.1: A 19 THR OG1 : rot 62:sc= -1.55! USER MOD Set 4.2: A 27 LYS NZ :NH3+ 150:sc= 0.263 (180deg=0.0473) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ -120:sc= -0.62 (180deg=-2.18!) USER MOD Single : A 5 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0658) USER MOD Single : A 8 THR OG1 : rot -76:sc= 0.626 USER MOD Single : A -2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A -3 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot -104:sc= -0.298 USER MOD Single : A 14 CYS SG : rot -146:sc= -3.02! USER MOD Single : A 16 GLN : amide:sc= -0.0275 K(o=-0.028,f=-0.82) USER MOD Single : A 17 CYS SG : rot 7:sc= -0.327 USER MOD Single : A 18 HIS : no HE2:sc= -2.37! C(o=-2.4!,f=-9!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 HIS : no HD1:sc= -0.623 K(o=-0.62,f=-8.3!) USER MOD Single : A 40 SER OG : rot 176:sc= 0.616 USER MOD Single : A 42 GLN : amide:sc= -19.1! C(o=-19!,f=-23!) USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot 165:sc= -0.806 USER MOD Single : A 49 THR OG1 : rot 146:sc= -0.598 USER MOD Single : A 52 ASN : amide:sc= -3.74 X(o=-3.7,f=-4.1!) USER MOD Single : A 54 LYS NZ :NH3+ -141:sc= -0.498 (180deg=-3.57!) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.451 X(o=-0.45,f=-0.002) USER MOD Single : A 63 ASN : amide:sc= -3.88! C(o=-3.9!,f=-2.9!) USER MOD Single : A 64 MET CE :methyl -158:sc= -0.0256 (180deg=-1.42) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.662 USER MOD Single : A 70 ASN : amide:sc= -3.03! C(o=-3!,f=-4.7!) USER MOD Single : A 71 HIS : no HD1:sc= -2.73! K(o=-2.7!,f=-0.9) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 TYR OH : rot 149:sc= 0.989 USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 159:sc= -0.0495 (180deg=-0.44) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 LYS NZ :NH3+ 159:sc= -0.0601 (180deg=-0.425) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 96 THR OG1 : rot 167:sc= -0.838 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ -141:sc= -0.578 (180deg=-1.55!) USER MOD Single : A 102 THR OG1 : rot 130:sc= 0.225 USER MOD ----------------------------------------------------------------- ATOM 32 N PHE A -3 13.540 -4.784 -3.761 1.00 0.00 N ATOM 33 CA PHE A -3 12.637 -5.264 -2.678 1.00 0.00 C ATOM 34 C PHE A -3 12.658 -6.792 -2.627 1.00 0.00 C ATOM 35 O PHE A -3 12.536 -7.460 -3.635 1.00 0.00 O ATOM 36 CB PHE A -3 11.209 -4.784 -2.951 1.00 0.00 C ATOM 37 CG PHE A -3 10.219 -5.665 -2.219 1.00 0.00 C ATOM 38 CD1 PHE A -3 10.482 -6.091 -0.909 1.00 0.00 C ATOM 39 CD2 PHE A -3 9.035 -6.060 -2.857 1.00 0.00 C ATOM 40 CE1 PHE A -3 9.563 -6.908 -0.241 1.00 0.00 C ATOM 41 CE2 PHE A -3 8.117 -6.876 -2.185 1.00 0.00 C ATOM 42 CZ PHE A -3 8.380 -7.300 -0.879 1.00 0.00 C ATOM 0 H1 PHE A -3 13.523 -3.745 -3.792 1.00 0.00 H new ATOM 0 H2 PHE A -3 14.510 -5.109 -3.574 1.00 0.00 H new ATOM 0 H3 PHE A -3 13.219 -5.163 -4.675 1.00 0.00 H new ATOM 0 HA PHE A -3 12.980 -4.866 -1.723 1.00 0.00 H new ATOM 0 HB2 PHE A -3 11.096 -3.749 -2.628 1.00 0.00 H new ATOM 0 HB3 PHE A -3 11.007 -4.807 -4.022 1.00 0.00 H new ATOM 0 HD1 PHE A -3 11.394 -5.789 -0.416 1.00 0.00 H new ATOM 0 HD2 PHE A -3 8.831 -5.735 -3.867 1.00 0.00 H new ATOM 0 HE1 PHE A -3 9.766 -7.236 0.768 1.00 0.00 H new ATOM 0 HE2 PHE A -3 7.204 -7.178 -2.676 1.00 0.00 H new ATOM 0 HZ PHE A -3 7.671 -7.930 -0.362 1.00 0.00 H new ATOM 52 N LYS A -2 12.809 -7.349 -1.455 1.00 0.00 N ATOM 53 CA LYS A -2 12.835 -8.831 -1.322 1.00 0.00 C ATOM 54 C LYS A -2 11.791 -9.257 -0.289 1.00 0.00 C ATOM 55 O LYS A -2 11.736 -8.731 0.804 1.00 0.00 O ATOM 56 CB LYS A -2 14.224 -9.281 -0.864 1.00 0.00 C ATOM 57 CG LYS A -2 14.296 -10.809 -0.872 1.00 0.00 C ATOM 58 CD LYS A -2 15.663 -11.259 -0.354 1.00 0.00 C ATOM 59 CE LYS A -2 15.796 -12.775 -0.512 1.00 0.00 C ATOM 60 NZ LYS A -2 16.991 -13.084 -1.347 1.00 0.00 N ATOM 0 H LYS A -2 12.916 -6.836 -0.580 1.00 0.00 H new ATOM 0 HA LYS A -2 12.609 -9.291 -2.284 1.00 0.00 H new ATOM 0 HB2 LYS A -2 14.987 -8.867 -1.523 1.00 0.00 H new ATOM 0 HB3 LYS A -2 14.428 -8.902 0.137 1.00 0.00 H new ATOM 0 HG2 LYS A -2 13.504 -11.224 -0.248 1.00 0.00 H new ATOM 0 HG3 LYS A -2 14.136 -11.186 -1.882 1.00 0.00 H new ATOM 0 HD2 LYS A -2 16.457 -10.754 -0.905 1.00 0.00 H new ATOM 0 HD3 LYS A -2 15.776 -10.981 0.694 1.00 0.00 H new ATOM 0 HE2 LYS A -2 15.891 -13.246 0.466 1.00 0.00 H new ATOM 0 HE3 LYS A -2 14.899 -13.183 -0.977 1.00 0.00 H new ATOM 0 HZ1 LYS A -2 17.082 -14.114 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A -2 16.882 -12.646 -2.284 1.00 0.00 H new ATOM 0 HZ3 LYS A -2 17.844 -12.708 -0.886 1.00 0.00 H new ATOM 74 N ALA A -1 10.957 -10.202 -0.627 1.00 0.00 N ATOM 75 CA ALA A -1 9.915 -10.651 0.335 1.00 0.00 C ATOM 76 C ALA A -1 10.578 -11.235 1.583 1.00 0.00 C ATOM 77 O ALA A -1 10.987 -12.380 1.605 1.00 0.00 O ATOM 78 CB ALA A -1 9.039 -11.718 -0.324 1.00 0.00 C ATOM 0 H ALA A -1 10.953 -10.681 -1.527 1.00 0.00 H new ATOM 0 HA ALA A -1 9.299 -9.798 0.622 1.00 0.00 H new ATOM 0 HB1 ALA A -1 8.275 -12.048 0.380 1.00 0.00 H new ATOM 0 HB2 ALA A -1 8.560 -11.300 -1.209 1.00 0.00 H new ATOM 0 HB3 ALA A -1 9.657 -12.568 -0.613 1.00 0.00 H new ATOM 84 N GLY A 1 10.683 -10.459 2.626 1.00 0.00 N ATOM 85 CA GLY A 1 11.312 -10.970 3.877 1.00 0.00 C ATOM 86 C GLY A 1 10.271 -11.757 4.672 1.00 0.00 C ATOM 87 O GLY A 1 9.990 -12.903 4.378 1.00 0.00 O ATOM 0 H GLY A 1 10.360 -9.492 2.666 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.163 -11.607 3.637 1.00 0.00 H new ATOM 0 HA3 GLY A 1 11.693 -10.141 4.473 1.00 0.00 H new ATOM 91 N SER A 2 9.690 -11.151 5.674 1.00 0.00 N ATOM 92 CA SER A 2 8.659 -11.861 6.482 1.00 0.00 C ATOM 93 C SER A 2 7.396 -11.000 6.561 1.00 0.00 C ATOM 94 O SER A 2 7.445 -9.840 6.919 1.00 0.00 O ATOM 95 CB SER A 2 9.197 -12.105 7.893 1.00 0.00 C ATOM 96 OG SER A 2 8.253 -12.872 8.629 1.00 0.00 O ATOM 0 H SER A 2 9.886 -10.194 5.967 1.00 0.00 H new ATOM 0 HA SER A 2 8.422 -12.816 6.013 1.00 0.00 H new ATOM 0 HB2 SER A 2 10.151 -12.630 7.845 1.00 0.00 H new ATOM 0 HB3 SER A 2 9.381 -11.155 8.394 1.00 0.00 H new ATOM 0 HG SER A 2 8.595 -13.032 9.533 1.00 0.00 H new ATOM 102 N ALA A 3 6.265 -11.558 6.228 1.00 0.00 N ATOM 103 CA ALA A 3 5.001 -10.771 6.286 1.00 0.00 C ATOM 104 C ALA A 3 4.654 -10.465 7.743 1.00 0.00 C ATOM 105 O ALA A 3 4.107 -9.427 8.057 1.00 0.00 O ATOM 106 CB ALA A 3 3.868 -11.579 5.649 1.00 0.00 C ATOM 0 H ALA A 3 6.161 -12.524 5.918 1.00 0.00 H new ATOM 0 HA ALA A 3 5.131 -9.836 5.742 1.00 0.00 H new ATOM 0 HB1 ALA A 3 2.943 -11.004 5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 3 4.115 -11.794 4.609 1.00 0.00 H new ATOM 0 HB3 ALA A 3 3.738 -12.515 6.192 1.00 0.00 H new ATOM 112 N LYS A 4 4.961 -11.368 8.633 1.00 0.00 N ATOM 113 CA LYS A 4 4.644 -11.139 10.069 1.00 0.00 C ATOM 114 C LYS A 4 5.357 -9.882 10.549 1.00 0.00 C ATOM 115 O LYS A 4 4.777 -9.022 11.180 1.00 0.00 O ATOM 116 CB LYS A 4 5.149 -12.329 10.878 1.00 0.00 C ATOM 117 CG LYS A 4 4.573 -13.614 10.295 1.00 0.00 C ATOM 118 CD LYS A 4 4.867 -14.784 11.238 1.00 0.00 C ATOM 119 CE LYS A 4 6.380 -14.977 11.355 1.00 0.00 C ATOM 120 NZ LYS A 4 6.896 -14.178 12.501 1.00 0.00 N ATOM 0 H LYS A 4 5.419 -12.256 8.426 1.00 0.00 H new ATOM 0 HA LYS A 4 3.568 -11.023 10.196 1.00 0.00 H new ATOM 0 HB2 LYS A 4 6.238 -12.362 10.856 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.854 -12.225 11.922 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.497 -13.510 10.153 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.007 -13.807 9.314 1.00 0.00 H new ATOM 0 HD2 LYS A 4 4.437 -14.590 12.221 1.00 0.00 H new ATOM 0 HD3 LYS A 4 4.402 -15.695 10.861 1.00 0.00 H new ATOM 0 HE2 LYS A 4 6.613 -16.032 11.500 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.869 -14.666 10.432 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.595 -13.489 12.157 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 6.108 -13.674 12.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.346 -14.812 13.192 1.00 0.00 H new ATOM 134 N LYS A 5 6.617 -9.778 10.253 1.00 0.00 N ATOM 135 CA LYS A 5 7.390 -8.585 10.686 1.00 0.00 C ATOM 136 C LYS A 5 6.769 -7.326 10.078 1.00 0.00 C ATOM 137 O LYS A 5 6.615 -6.318 10.737 1.00 0.00 O ATOM 138 CB LYS A 5 8.836 -8.724 10.210 1.00 0.00 C ATOM 139 CG LYS A 5 9.493 -9.914 10.912 1.00 0.00 C ATOM 140 CD LYS A 5 10.969 -9.988 10.518 1.00 0.00 C ATOM 141 CE LYS A 5 11.597 -11.244 11.125 1.00 0.00 C ATOM 142 NZ LYS A 5 11.764 -11.056 12.594 1.00 0.00 N ATOM 0 H LYS A 5 7.149 -10.471 9.727 1.00 0.00 H new ATOM 0 HA LYS A 5 7.368 -8.508 11.773 1.00 0.00 H new ATOM 0 HB2 LYS A 5 8.862 -8.866 9.130 1.00 0.00 H new ATOM 0 HB3 LYS A 5 9.390 -7.810 10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.399 -9.809 11.993 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.985 -10.838 10.636 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.066 -10.008 9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.495 -9.100 10.868 1.00 0.00 H new ATOM 0 HE2 LYS A 5 10.966 -12.111 10.928 1.00 0.00 H new ATOM 0 HE3 LYS A 5 12.563 -11.441 10.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 12.340 -11.831 12.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 12.238 -10.148 12.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.831 -11.057 13.052 1.00 0.00 H new ATOM 156 N GLY A 6 6.406 -7.379 8.826 1.00 0.00 N ATOM 157 CA GLY A 6 5.788 -6.186 8.179 1.00 0.00 C ATOM 158 C GLY A 6 4.444 -5.888 8.844 1.00 0.00 C ATOM 159 O GLY A 6 4.044 -4.749 8.976 1.00 0.00 O ATOM 0 H GLY A 6 6.510 -8.195 8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 6 6.450 -5.325 8.270 1.00 0.00 H new ATOM 0 HA3 GLY A 6 5.647 -6.368 7.114 1.00 0.00 H new ATOM 163 N ALA A 7 3.740 -6.907 9.258 1.00 0.00 N ATOM 164 CA ALA A 7 2.420 -6.684 9.909 1.00 0.00 C ATOM 165 C ALA A 7 2.606 -5.828 11.160 1.00 0.00 C ATOM 166 O ALA A 7 1.804 -4.966 11.460 1.00 0.00 O ATOM 167 CB ALA A 7 1.808 -8.031 10.299 1.00 0.00 C ATOM 0 H ALA A 7 4.023 -7.883 9.173 1.00 0.00 H new ATOM 0 HA ALA A 7 1.755 -6.171 9.214 1.00 0.00 H new ATOM 0 HB1 ALA A 7 0.842 -7.867 10.776 1.00 0.00 H new ATOM 0 HB2 ALA A 7 1.673 -8.642 9.406 1.00 0.00 H new ATOM 0 HB3 ALA A 7 2.472 -8.545 10.993 1.00 0.00 H new ATOM 173 N THR A 8 3.663 -6.048 11.890 1.00 0.00 N ATOM 174 CA THR A 8 3.897 -5.238 13.113 1.00 0.00 C ATOM 175 C THR A 8 4.060 -3.777 12.713 1.00 0.00 C ATOM 176 O THR A 8 3.460 -2.888 13.284 1.00 0.00 O ATOM 177 CB THR A 8 5.179 -5.719 13.791 1.00 0.00 C ATOM 178 OG1 THR A 8 6.293 -5.404 12.966 1.00 0.00 O ATOM 179 CG2 THR A 8 5.111 -7.230 14.000 1.00 0.00 C ATOM 0 H THR A 8 4.373 -6.753 11.692 1.00 0.00 H new ATOM 0 HA THR A 8 3.056 -5.343 13.798 1.00 0.00 H new ATOM 0 HB THR A 8 5.288 -5.226 14.757 1.00 0.00 H new ATOM 0 HG1 THR A 8 6.330 -6.031 12.213 1.00 0.00 H new ATOM 0 HG21 THR A 8 6.026 -7.572 14.484 1.00 0.00 H new ATOM 0 HG22 THR A 8 4.255 -7.472 14.630 1.00 0.00 H new ATOM 0 HG23 THR A 8 5.003 -7.726 13.036 1.00 0.00 H new ATOM 187 N LEU A 9 4.865 -3.529 11.723 1.00 0.00 N ATOM 188 CA LEU A 9 5.075 -2.131 11.258 1.00 0.00 C ATOM 189 C LEU A 9 3.754 -1.583 10.726 1.00 0.00 C ATOM 190 O LEU A 9 3.374 -0.459 10.990 1.00 0.00 O ATOM 191 CB LEU A 9 6.098 -2.130 10.131 1.00 0.00 C ATOM 192 CG LEU A 9 6.580 -0.700 9.884 1.00 0.00 C ATOM 193 CD1 LEU A 9 7.675 -0.328 10.890 1.00 0.00 C ATOM 194 CD2 LEU A 9 7.137 -0.602 8.470 1.00 0.00 C ATOM 0 H LEU A 9 5.391 -4.238 11.212 1.00 0.00 H new ATOM 0 HA LEU A 9 5.431 -1.515 12.084 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.941 -2.770 10.390 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.655 -2.538 9.223 1.00 0.00 H new ATOM 0 HG LEU A 9 5.743 -0.013 10.005 1.00 0.00 H new ATOM 0 HD11 LEU A 9 8.009 0.692 10.703 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.278 -0.400 11.903 1.00 0.00 H new ATOM 0 HD13 LEU A 9 8.517 -1.011 10.781 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.483 0.415 8.285 1.00 0.00 H new ATOM 0 HD22 LEU A 9 7.971 -1.295 8.359 1.00 0.00 H new ATOM 0 HD23 LEU A 9 6.356 -0.855 7.753 1.00 0.00 H new ATOM 206 N PHE A 10 3.055 -2.382 9.972 1.00 0.00 N ATOM 207 CA PHE A 10 1.752 -1.942 9.401 1.00 0.00 C ATOM 208 C PHE A 10 0.753 -1.692 10.536 1.00 0.00 C ATOM 209 O PHE A 10 0.179 -0.625 10.655 1.00 0.00 O ATOM 210 CB PHE A 10 1.224 -3.056 8.489 1.00 0.00 C ATOM 211 CG PHE A 10 0.022 -2.576 7.712 1.00 0.00 C ATOM 212 CD1 PHE A 10 -1.253 -2.636 8.285 1.00 0.00 C ATOM 213 CD2 PHE A 10 0.185 -2.078 6.414 1.00 0.00 C ATOM 214 CE1 PHE A 10 -2.366 -2.194 7.559 1.00 0.00 C ATOM 215 CE2 PHE A 10 -0.928 -1.639 5.688 1.00 0.00 C ATOM 216 CZ PHE A 10 -2.204 -1.696 6.261 1.00 0.00 C ATOM 0 H PHE A 10 3.333 -3.331 9.724 1.00 0.00 H new ATOM 0 HA PHE A 10 1.882 -1.021 8.833 1.00 0.00 H new ATOM 0 HB2 PHE A 10 2.007 -3.372 7.800 1.00 0.00 H new ATOM 0 HB3 PHE A 10 0.954 -3.927 9.087 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -1.379 -3.023 9.286 1.00 0.00 H new ATOM 0 HD2 PHE A 10 1.170 -2.033 5.973 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -3.350 -2.237 8.001 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -0.803 -1.256 4.686 1.00 0.00 H new ATOM 0 HZ PHE A 10 -3.063 -1.356 5.702 1.00 0.00 H new ATOM 226 N LYS A 11 0.548 -2.672 11.375 1.00 0.00 N ATOM 227 CA LYS A 11 -0.405 -2.503 12.505 1.00 0.00 C ATOM 228 C LYS A 11 0.074 -1.376 13.419 1.00 0.00 C ATOM 229 O LYS A 11 -0.711 -0.655 14.001 1.00 0.00 O ATOM 230 CB LYS A 11 -0.486 -3.809 13.296 1.00 0.00 C ATOM 231 CG LYS A 11 -1.120 -4.896 12.425 1.00 0.00 C ATOM 232 CD LYS A 11 -1.297 -6.172 13.249 1.00 0.00 C ATOM 233 CE LYS A 11 -1.821 -7.292 12.349 1.00 0.00 C ATOM 234 NZ LYS A 11 -2.799 -8.124 13.107 1.00 0.00 N ATOM 0 H LYS A 11 1.002 -3.584 11.324 1.00 0.00 H new ATOM 0 HA LYS A 11 -1.391 -2.251 12.115 1.00 0.00 H new ATOM 0 HB2 LYS A 11 0.511 -4.117 13.612 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -1.077 -3.663 14.200 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.085 -4.558 12.048 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -0.490 -5.095 11.558 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -0.346 -6.464 13.695 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -1.993 -5.994 14.069 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -2.296 -6.869 11.464 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -0.994 -7.911 12.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.155 -8.885 12.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -2.331 -8.538 13.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.594 -7.529 13.417 1.00 0.00 H new ATOM 248 N THR A 12 1.359 -1.224 13.559 1.00 0.00 N ATOM 249 CA THR A 12 1.884 -0.146 14.440 1.00 0.00 C ATOM 250 C THR A 12 1.890 1.186 13.689 1.00 0.00 C ATOM 251 O THR A 12 2.093 2.231 14.274 1.00 0.00 O ATOM 252 CB THR A 12 3.308 -0.492 14.879 1.00 0.00 C ATOM 253 OG1 THR A 12 4.148 -0.573 13.735 1.00 0.00 O ATOM 254 CG2 THR A 12 3.308 -1.833 15.614 1.00 0.00 C ATOM 0 H THR A 12 2.068 -1.798 13.103 1.00 0.00 H new ATOM 0 HA THR A 12 1.243 -0.058 15.317 1.00 0.00 H new ATOM 0 HB THR A 12 3.680 0.283 15.548 1.00 0.00 H new ATOM 0 HG1 THR A 12 4.330 -1.514 13.528 1.00 0.00 H new ATOM 0 HG21 THR A 12 4.324 -2.077 15.926 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.665 -1.767 16.492 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.935 -2.612 14.949 1.00 0.00 H new ATOM 262 N ARG A 13 1.687 1.170 12.396 1.00 0.00 N ATOM 263 CA ARG A 13 1.706 2.456 11.642 1.00 0.00 C ATOM 264 C ARG A 13 0.829 2.381 10.389 1.00 0.00 C ATOM 265 O ARG A 13 1.268 2.709 9.305 1.00 0.00 O ATOM 266 CB ARG A 13 3.141 2.771 11.217 1.00 0.00 C ATOM 267 CG ARG A 13 3.992 3.080 12.451 1.00 0.00 C ATOM 268 CD ARG A 13 5.363 3.594 12.008 1.00 0.00 C ATOM 269 NE ARG A 13 6.256 3.714 13.195 1.00 0.00 N ATOM 270 CZ ARG A 13 6.150 4.744 13.990 1.00 0.00 C ATOM 271 NH1 ARG A 13 5.261 5.667 13.746 1.00 0.00 N ATOM 272 NH2 ARG A 13 6.932 4.849 15.029 1.00 0.00 N ATOM 0 H ARG A 13 1.512 0.334 11.838 1.00 0.00 H new ATOM 0 HA ARG A 13 1.316 3.237 12.295 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.564 1.925 10.675 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.150 3.622 10.536 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.495 3.826 13.071 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.107 2.184 13.061 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.800 2.913 11.278 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.259 4.562 11.518 1.00 0.00 H new ATOM 0 HE ARG A 13 6.950 2.991 13.386 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.649 5.584 12.934 1.00 0.00 H new ATOM 0 HH12 ARG A 13 5.178 6.472 14.367 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.626 4.126 15.220 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.849 5.654 15.650 1.00 0.00 H new ATOM 286 N CYS A 14 -0.400 1.968 10.511 1.00 0.00 N ATOM 287 CA CYS A 14 -1.264 1.900 9.298 1.00 0.00 C ATOM 288 C CYS A 14 -2.736 1.752 9.699 1.00 0.00 C ATOM 289 O CYS A 14 -3.629 2.004 8.914 1.00 0.00 O ATOM 290 CB CYS A 14 -0.842 0.695 8.462 1.00 0.00 C ATOM 291 SG CYS A 14 -1.091 1.041 6.700 1.00 0.00 S ATOM 0 H CYS A 14 -0.841 1.678 11.384 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.150 2.818 8.722 1.00 0.00 H new ATOM 0 HB2 CYS A 14 0.206 0.461 8.650 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.421 -0.181 8.754 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.431 -0.054 6.087 1.00 0.00 H new ATOM 296 N LEU A 15 -2.998 1.335 10.905 1.00 0.00 N ATOM 297 CA LEU A 15 -4.413 1.158 11.344 1.00 0.00 C ATOM 298 C LEU A 15 -5.138 2.507 11.352 1.00 0.00 C ATOM 299 O LEU A 15 -6.325 2.587 11.107 1.00 0.00 O ATOM 300 CB LEU A 15 -4.435 0.568 12.753 1.00 0.00 C ATOM 301 CG LEU A 15 -3.537 -0.665 12.798 1.00 0.00 C ATOM 302 CD1 LEU A 15 -3.686 -1.362 14.151 1.00 0.00 C ATOM 303 CD2 LEU A 15 -3.934 -1.628 11.679 1.00 0.00 C ATOM 0 H LEU A 15 -2.294 1.108 11.608 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.918 0.486 10.650 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -4.091 1.309 13.475 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -5.454 0.300 13.032 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.499 -0.360 12.663 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.043 -2.242 14.180 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.398 -0.676 14.947 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -4.723 -1.666 14.292 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.292 -2.508 11.712 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -4.973 -1.931 11.811 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.821 -1.132 10.715 1.00 0.00 H new ATOM 315 N GLN A 16 -4.436 3.561 11.653 1.00 0.00 N ATOM 316 CA GLN A 16 -5.080 4.904 11.703 1.00 0.00 C ATOM 317 C GLN A 16 -5.842 5.192 10.406 1.00 0.00 C ATOM 318 O GLN A 16 -6.499 6.208 10.286 1.00 0.00 O ATOM 319 CB GLN A 16 -4.002 5.970 11.901 1.00 0.00 C ATOM 320 CG GLN A 16 -3.129 6.052 10.648 1.00 0.00 C ATOM 321 CD GLN A 16 -1.912 6.933 10.931 1.00 0.00 C ATOM 322 OE1 GLN A 16 -1.315 6.844 11.985 1.00 0.00 O ATOM 323 NE2 GLN A 16 -1.516 7.787 10.026 1.00 0.00 N ATOM 0 H GLN A 16 -3.439 3.552 11.868 1.00 0.00 H new ATOM 0 HA GLN A 16 -5.787 4.922 12.533 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.464 6.937 12.099 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -3.389 5.726 12.769 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.807 5.054 10.350 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.704 6.463 9.818 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -2.018 7.861 9.141 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -0.705 8.380 10.204 1.00 0.00 H new ATOM 332 N CYS A 17 -5.759 4.332 9.425 1.00 0.00 N ATOM 333 CA CYS A 17 -6.484 4.613 8.150 1.00 0.00 C ATOM 334 C CYS A 17 -7.023 3.321 7.526 1.00 0.00 C ATOM 335 O CYS A 17 -8.167 2.955 7.717 1.00 0.00 O ATOM 336 CB CYS A 17 -5.521 5.274 7.165 1.00 0.00 C ATOM 337 SG CYS A 17 -5.218 6.987 7.667 1.00 0.00 S ATOM 0 H CYS A 17 -5.230 3.460 9.449 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.325 5.272 8.368 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.582 4.722 7.134 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.940 5.248 6.159 1.00 0.00 H new ATOM 0 HG CYS A 17 -5.765 7.203 8.826 1.00 0.00 H new ATOM 342 N HIS A 18 -6.214 2.646 6.755 1.00 0.00 N ATOM 343 CA HIS A 18 -6.679 1.397 6.083 1.00 0.00 C ATOM 344 C HIS A 18 -7.329 0.444 7.089 1.00 0.00 C ATOM 345 O HIS A 18 -8.279 -0.244 6.771 1.00 0.00 O ATOM 346 CB HIS A 18 -5.488 0.705 5.414 1.00 0.00 C ATOM 347 CG HIS A 18 -5.006 1.543 4.261 1.00 0.00 C ATOM 348 ND1 HIS A 18 -5.633 1.524 3.019 1.00 0.00 N ATOM 349 CD2 HIS A 18 -3.968 2.434 4.143 1.00 0.00 C ATOM 350 CE1 HIS A 18 -4.971 2.379 2.215 1.00 0.00 C ATOM 351 NE2 HIS A 18 -3.955 2.953 2.856 1.00 0.00 N ATOM 0 H HIS A 18 -5.247 2.906 6.560 1.00 0.00 H new ATOM 0 HA HIS A 18 -7.423 1.663 5.332 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -4.684 0.563 6.136 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -5.779 -0.285 5.062 1.00 0.00 H new ATOM 0 HD1 HIS A 18 -6.446 0.964 2.763 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -3.272 2.690 4.928 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -5.231 2.573 1.185 1.00 0.00 H new ATOM 359 N THR A 19 -6.837 0.386 8.293 1.00 0.00 N ATOM 360 CA THR A 19 -7.453 -0.537 9.288 1.00 0.00 C ATOM 361 C THR A 19 -7.636 -1.914 8.645 1.00 0.00 C ATOM 362 O THR A 19 -8.733 -2.429 8.559 1.00 0.00 O ATOM 363 CB THR A 19 -8.815 0.014 9.715 1.00 0.00 C ATOM 364 OG1 THR A 19 -8.678 1.380 10.077 1.00 0.00 O ATOM 365 CG2 THR A 19 -9.342 -0.781 10.910 1.00 0.00 C ATOM 0 H THR A 19 -6.043 0.931 8.631 1.00 0.00 H new ATOM 0 HA THR A 19 -6.808 -0.623 10.162 1.00 0.00 H new ATOM 0 HB THR A 19 -9.517 -0.076 8.886 1.00 0.00 H new ATOM 0 HG1 THR A 19 -8.378 1.896 9.300 1.00 0.00 H new ATOM 0 HG21 THR A 19 -10.312 -0.385 11.211 1.00 0.00 H new ATOM 0 HG22 THR A 19 -9.448 -1.829 10.631 1.00 0.00 H new ATOM 0 HG23 THR A 19 -8.642 -0.696 11.741 1.00 0.00 H new ATOM 373 N VAL A 20 -6.568 -2.506 8.180 1.00 0.00 N ATOM 374 CA VAL A 20 -6.674 -3.842 7.529 1.00 0.00 C ATOM 375 C VAL A 20 -7.007 -4.913 8.567 1.00 0.00 C ATOM 376 O VAL A 20 -6.359 -5.937 8.647 1.00 0.00 O ATOM 377 CB VAL A 20 -5.347 -4.182 6.857 1.00 0.00 C ATOM 378 CG1 VAL A 20 -5.406 -5.600 6.289 1.00 0.00 C ATOM 379 CG2 VAL A 20 -5.088 -3.190 5.724 1.00 0.00 C ATOM 0 H VAL A 20 -5.625 -2.120 8.224 1.00 0.00 H new ATOM 0 HA VAL A 20 -7.470 -3.812 6.785 1.00 0.00 H new ATOM 0 HB VAL A 20 -4.542 -4.121 7.590 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -4.457 -5.840 5.810 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -5.594 -6.308 7.096 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -6.209 -5.665 5.555 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.141 -3.429 5.241 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -5.894 -3.254 4.993 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -5.044 -2.179 6.129 1.00 0.00 H new ATOM 389 N GLU A 21 -8.021 -4.694 9.354 1.00 0.00 N ATOM 390 CA GLU A 21 -8.404 -5.709 10.372 1.00 0.00 C ATOM 391 C GLU A 21 -9.173 -6.832 9.676 1.00 0.00 C ATOM 392 O GLU A 21 -9.793 -7.660 10.311 1.00 0.00 O ATOM 393 CB GLU A 21 -9.288 -5.062 11.440 1.00 0.00 C ATOM 394 CG GLU A 21 -8.496 -3.971 12.164 1.00 0.00 C ATOM 395 CD GLU A 21 -9.359 -3.361 13.269 1.00 0.00 C ATOM 396 OE1 GLU A 21 -10.538 -3.669 13.311 1.00 0.00 O ATOM 397 OE2 GLU A 21 -8.826 -2.595 14.055 1.00 0.00 O ATOM 0 H GLU A 21 -8.602 -3.856 9.336 1.00 0.00 H new ATOM 0 HA GLU A 21 -7.511 -6.111 10.851 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -10.179 -4.635 10.980 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -9.626 -5.814 12.152 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -7.585 -4.391 12.590 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -8.192 -3.199 11.458 1.00 0.00 H new ATOM 404 N LYS A 22 -9.138 -6.848 8.368 1.00 0.00 N ATOM 405 CA LYS A 22 -9.865 -7.898 7.598 1.00 0.00 C ATOM 406 C LYS A 22 -11.365 -7.748 7.838 1.00 0.00 C ATOM 407 O LYS A 22 -12.059 -8.701 8.132 1.00 0.00 O ATOM 408 CB LYS A 22 -9.400 -9.286 8.032 1.00 0.00 C ATOM 409 CG LYS A 22 -7.873 -9.328 8.035 1.00 0.00 C ATOM 410 CD LYS A 22 -7.335 -9.019 6.636 1.00 0.00 C ATOM 411 CE LYS A 22 -5.855 -9.394 6.570 1.00 0.00 C ATOM 412 NZ LYS A 22 -5.687 -10.610 5.726 1.00 0.00 N ATOM 0 H LYS A 22 -8.632 -6.171 7.797 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.654 -7.780 6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -9.784 -9.517 9.026 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.795 -10.043 7.354 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.483 -8.604 8.751 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -7.529 -10.311 8.356 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.897 -9.576 5.886 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -7.464 -7.961 6.410 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -5.278 -8.568 6.155 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -5.471 -9.579 7.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -4.680 -10.865 5.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -6.225 -11.397 6.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.038 -10.418 4.766 1.00 0.00 H new ATOM 426 N GLY A 23 -11.865 -6.551 7.714 1.00 0.00 N ATOM 427 CA GLY A 23 -13.320 -6.319 7.931 1.00 0.00 C ATOM 428 C GLY A 23 -13.523 -4.999 8.677 1.00 0.00 C ATOM 429 O GLY A 23 -14.445 -4.853 9.456 1.00 0.00 O ATOM 0 H GLY A 23 -11.326 -5.720 7.471 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -13.841 -6.291 6.974 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -13.748 -7.142 8.504 1.00 0.00 H new ATOM 433 N GLY A 24 -12.673 -4.034 8.444 1.00 0.00 N ATOM 434 CA GLY A 24 -12.821 -2.722 9.141 1.00 0.00 C ATOM 435 C GLY A 24 -13.347 -1.676 8.157 1.00 0.00 C ATOM 436 O GLY A 24 -13.247 -1.835 6.957 1.00 0.00 O ATOM 0 H GLY A 24 -11.883 -4.097 7.802 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -13.506 -2.821 9.983 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -11.861 -2.404 9.547 1.00 0.00 H new ATOM 440 N PRO A 25 -13.908 -0.612 8.668 1.00 0.00 N ATOM 441 CA PRO A 25 -14.467 0.490 7.830 1.00 0.00 C ATOM 442 C PRO A 25 -13.402 1.130 6.934 1.00 0.00 C ATOM 443 O PRO A 25 -12.275 1.334 7.342 1.00 0.00 O ATOM 444 CB PRO A 25 -14.996 1.510 8.847 1.00 0.00 C ATOM 445 CG PRO A 25 -14.368 1.151 10.155 1.00 0.00 C ATOM 446 CD PRO A 25 -14.067 -0.344 10.101 1.00 0.00 C ATOM 0 HA PRO A 25 -15.237 0.124 7.151 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -14.733 2.526 8.554 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -16.083 1.469 8.912 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -13.455 1.724 10.316 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -15.039 1.381 10.983 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -13.163 -0.591 10.658 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -14.878 -0.932 10.531 1.00 0.00 H new ATOM 454 N HIS A 26 -13.749 1.447 5.717 1.00 0.00 N ATOM 455 CA HIS A 26 -12.755 2.072 4.798 1.00 0.00 C ATOM 456 C HIS A 26 -12.222 3.371 5.405 1.00 0.00 C ATOM 457 O HIS A 26 -11.046 3.649 5.354 1.00 0.00 O ATOM 458 CB HIS A 26 -13.418 2.391 3.458 1.00 0.00 C ATOM 459 CG HIS A 26 -13.727 1.117 2.721 1.00 0.00 C ATOM 460 ND1 HIS A 26 -12.744 0.193 2.396 1.00 0.00 N ATOM 461 CD2 HIS A 26 -14.901 0.606 2.225 1.00 0.00 C ATOM 462 CE1 HIS A 26 -13.339 -0.816 1.731 1.00 0.00 C ATOM 463 NE2 HIS A 26 -14.651 -0.611 1.604 1.00 0.00 N ATOM 0 H HIS A 26 -14.677 1.301 5.319 1.00 0.00 H new ATOM 0 HA HIS A 26 -11.932 1.373 4.649 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -14.335 2.957 3.622 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -12.759 3.018 2.857 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -15.869 1.078 2.305 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.819 -1.682 1.349 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -15.329 -1.221 1.146 1.00 0.00 H new ATOM 472 N LYS A 27 -13.078 4.178 5.962 1.00 0.00 N ATOM 473 CA LYS A 27 -12.612 5.468 6.545 1.00 0.00 C ATOM 474 C LYS A 27 -11.925 6.297 5.451 1.00 0.00 C ATOM 475 O LYS A 27 -12.343 6.296 4.310 1.00 0.00 O ATOM 476 CB LYS A 27 -11.635 5.208 7.700 1.00 0.00 C ATOM 477 CG LYS A 27 -12.329 4.370 8.775 1.00 0.00 C ATOM 478 CD LYS A 27 -11.484 4.369 10.051 1.00 0.00 C ATOM 479 CE LYS A 27 -10.143 3.683 9.780 1.00 0.00 C ATOM 480 NZ LYS A 27 -9.481 3.361 11.076 1.00 0.00 N ATOM 0 H LYS A 27 -14.080 4.002 6.040 1.00 0.00 H new ATOM 0 HA LYS A 27 -13.469 6.018 6.935 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -10.751 4.687 7.332 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -11.296 6.153 8.123 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -13.319 4.775 8.983 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -12.470 3.349 8.420 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.319 5.392 10.390 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -12.014 3.850 10.850 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -10.298 2.772 9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -9.503 4.334 9.184 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -8.893 2.510 10.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -8.882 4.160 11.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -10.205 3.188 11.802 1.00 0.00 H new ATOM 494 N VAL A 28 -10.894 7.021 5.790 1.00 0.00 N ATOM 495 CA VAL A 28 -10.204 7.872 4.772 1.00 0.00 C ATOM 496 C VAL A 28 -9.577 7.026 3.655 1.00 0.00 C ATOM 497 O VAL A 28 -9.671 7.370 2.493 1.00 0.00 O ATOM 498 CB VAL A 28 -9.102 8.683 5.456 1.00 0.00 C ATOM 499 CG1 VAL A 28 -8.265 9.403 4.398 1.00 0.00 C ATOM 500 CG2 VAL A 28 -9.734 9.715 6.391 1.00 0.00 C ATOM 0 H VAL A 28 -10.497 7.062 6.729 1.00 0.00 H new ATOM 0 HA VAL A 28 -10.949 8.530 4.325 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.463 8.012 6.031 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.480 9.981 4.886 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -7.814 8.669 3.730 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -8.904 10.073 3.823 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -8.949 10.293 6.879 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.373 10.384 5.815 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -10.331 9.204 7.147 1.00 0.00 H new ATOM 510 N GLY A 29 -8.921 5.943 3.985 1.00 0.00 N ATOM 511 CA GLY A 29 -8.273 5.114 2.920 1.00 0.00 C ATOM 512 C GLY A 29 -9.025 3.792 2.740 1.00 0.00 C ATOM 513 O GLY A 29 -9.685 3.318 3.635 1.00 0.00 O ATOM 0 H GLY A 29 -8.805 5.597 4.938 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -8.261 5.664 1.979 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -7.235 4.916 3.186 1.00 0.00 H new ATOM 517 N PRO A 30 -8.917 3.197 1.582 1.00 0.00 N ATOM 518 CA PRO A 30 -9.595 1.904 1.275 1.00 0.00 C ATOM 519 C PRO A 30 -9.136 0.777 2.203 1.00 0.00 C ATOM 520 O PRO A 30 -8.037 0.795 2.717 1.00 0.00 O ATOM 521 CB PRO A 30 -9.191 1.594 -0.172 1.00 0.00 C ATOM 522 CG PRO A 30 -8.007 2.459 -0.461 1.00 0.00 C ATOM 523 CD PRO A 30 -8.133 3.684 0.440 1.00 0.00 C ATOM 0 HA PRO A 30 -10.673 1.980 1.414 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -8.943 0.539 -0.291 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -10.009 1.808 -0.860 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -7.078 1.924 -0.261 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -7.987 2.751 -1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -7.156 4.053 0.753 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -8.636 4.506 -0.070 1.00 0.00 H new ATOM 531 N ASN A 31 -9.965 -0.208 2.413 1.00 0.00 N ATOM 532 CA ASN A 31 -9.561 -1.333 3.298 1.00 0.00 C ATOM 533 C ASN A 31 -8.195 -1.840 2.837 1.00 0.00 C ATOM 534 O ASN A 31 -7.442 -2.407 3.601 1.00 0.00 O ATOM 535 CB ASN A 31 -10.595 -2.458 3.208 1.00 0.00 C ATOM 536 CG ASN A 31 -10.418 -3.410 4.392 1.00 0.00 C ATOM 537 OD1 ASN A 31 -9.376 -3.434 5.017 1.00 0.00 O ATOM 538 ND2 ASN A 31 -11.403 -4.194 4.735 1.00 0.00 N ATOM 0 H ASN A 31 -10.900 -0.281 2.012 1.00 0.00 H new ATOM 0 HA ASN A 31 -9.503 -0.997 4.333 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -11.602 -2.041 3.210 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -10.477 -3.001 2.270 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -11.299 -4.827 5.528 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -12.277 -4.174 4.210 1.00 0.00 H new ATOM 545 N LEU A 32 -7.879 -1.619 1.584 1.00 0.00 N ATOM 546 CA LEU A 32 -6.563 -2.055 1.024 1.00 0.00 C ATOM 547 C LEU A 32 -6.654 -3.507 0.557 1.00 0.00 C ATOM 548 O LEU A 32 -5.677 -4.095 0.137 1.00 0.00 O ATOM 549 CB LEU A 32 -5.463 -1.904 2.087 1.00 0.00 C ATOM 550 CG LEU A 32 -4.095 -1.695 1.422 1.00 0.00 C ATOM 551 CD1 LEU A 32 -4.106 -0.413 0.586 1.00 0.00 C ATOM 552 CD2 LEU A 32 -3.029 -1.555 2.505 1.00 0.00 C ATOM 0 H LEU A 32 -8.488 -1.147 0.916 1.00 0.00 H new ATOM 0 HA LEU A 32 -6.311 -1.426 0.170 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.691 -1.059 2.736 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.435 -2.792 2.718 1.00 0.00 H new ATOM 0 HG LEU A 32 -3.880 -2.549 0.780 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -3.131 -0.275 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -4.871 -0.489 -0.187 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.324 0.439 1.230 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.055 -1.406 2.039 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -3.263 -0.699 3.138 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.007 -2.460 3.113 1.00 0.00 H new ATOM 564 N HIS A 33 -7.823 -4.084 0.598 1.00 0.00 N ATOM 565 CA HIS A 33 -7.973 -5.487 0.124 1.00 0.00 C ATOM 566 C HIS A 33 -8.418 -5.463 -1.338 1.00 0.00 C ATOM 567 O HIS A 33 -8.397 -6.465 -2.025 1.00 0.00 O ATOM 568 CB HIS A 33 -9.025 -6.213 0.965 1.00 0.00 C ATOM 569 CG HIS A 33 -8.505 -6.417 2.362 1.00 0.00 C ATOM 570 ND1 HIS A 33 -7.227 -6.898 2.611 1.00 0.00 N ATOM 571 CD2 HIS A 33 -9.080 -6.223 3.593 1.00 0.00 C ATOM 572 CE1 HIS A 33 -7.078 -6.977 3.946 1.00 0.00 C ATOM 573 NE2 HIS A 33 -8.177 -6.578 4.588 1.00 0.00 N ATOM 0 H HIS A 33 -8.679 -3.645 0.938 1.00 0.00 H new ATOM 0 HA HIS A 33 -7.022 -6.011 0.220 1.00 0.00 H new ATOM 0 HB2 HIS A 33 -9.947 -5.633 0.991 1.00 0.00 H new ATOM 0 HB3 HIS A 33 -9.266 -7.175 0.512 1.00 0.00 H new ATOM 0 HD1 HIS A 33 -6.529 -7.146 1.910 1.00 0.00 H new ATOM 0 HD2 HIS A 33 -10.080 -5.852 3.762 1.00 0.00 H new ATOM 0 HE1 HIS A 33 -6.180 -7.321 4.437 1.00 0.00 H new ATOM 582 N GLY A 34 -8.825 -4.318 -1.819 1.00 0.00 N ATOM 583 CA GLY A 34 -9.276 -4.215 -3.237 1.00 0.00 C ATOM 584 C GLY A 34 -8.065 -4.034 -4.154 1.00 0.00 C ATOM 585 O GLY A 34 -8.094 -4.390 -5.314 1.00 0.00 O ATOM 0 H GLY A 34 -8.864 -3.447 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -9.826 -5.112 -3.519 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -9.959 -3.373 -3.351 1.00 0.00 H new ATOM 589 N ILE A 35 -6.998 -3.485 -3.641 1.00 0.00 N ATOM 590 CA ILE A 35 -5.784 -3.278 -4.481 1.00 0.00 C ATOM 591 C ILE A 35 -5.321 -4.635 -5.024 1.00 0.00 C ATOM 592 O ILE A 35 -5.721 -5.670 -4.533 1.00 0.00 O ATOM 593 CB ILE A 35 -4.695 -2.621 -3.619 1.00 0.00 C ATOM 594 CG1 ILE A 35 -5.283 -1.343 -3.002 1.00 0.00 C ATOM 595 CG2 ILE A 35 -3.466 -2.271 -4.471 1.00 0.00 C ATOM 596 CD1 ILE A 35 -4.228 -0.231 -2.958 1.00 0.00 C ATOM 0 H ILE A 35 -6.914 -3.170 -2.674 1.00 0.00 H new ATOM 0 HA ILE A 35 -5.999 -2.624 -5.326 1.00 0.00 H new ATOM 0 HB ILE A 35 -4.377 -3.312 -2.838 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -6.143 -1.013 -3.585 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -5.642 -1.551 -1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -2.707 -1.807 -3.841 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -3.062 -3.180 -4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.756 -1.578 -5.260 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.663 0.666 -2.518 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.381 -0.557 -2.355 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.889 -0.011 -3.970 1.00 0.00 H new ATOM 608 N PHE A 36 -4.509 -4.628 -6.051 1.00 0.00 N ATOM 609 CA PHE A 36 -4.023 -5.898 -6.669 1.00 0.00 C ATOM 610 C PHE A 36 -5.194 -6.602 -7.358 1.00 0.00 C ATOM 611 O PHE A 36 -5.181 -7.798 -7.567 1.00 0.00 O ATOM 612 CB PHE A 36 -3.396 -6.816 -5.612 1.00 0.00 C ATOM 613 CG PHE A 36 -2.302 -6.071 -4.881 1.00 0.00 C ATOM 614 CD1 PHE A 36 -0.999 -6.070 -5.391 1.00 0.00 C ATOM 615 CD2 PHE A 36 -2.589 -5.386 -3.694 1.00 0.00 C ATOM 616 CE1 PHE A 36 0.017 -5.385 -4.716 1.00 0.00 C ATOM 617 CE2 PHE A 36 -1.572 -4.700 -3.018 1.00 0.00 C ATOM 618 CZ PHE A 36 -0.268 -4.700 -3.529 1.00 0.00 C ATOM 0 H PHE A 36 -4.157 -3.780 -6.495 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.254 -5.663 -7.405 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -4.157 -7.149 -4.907 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.988 -7.709 -6.086 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -0.777 -6.598 -6.306 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.594 -5.387 -3.300 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.022 -5.385 -5.111 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -1.793 -4.171 -2.103 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.517 -4.172 -3.008 1.00 0.00 H new ATOM 628 N GLY A 37 -6.199 -5.855 -7.726 1.00 0.00 N ATOM 629 CA GLY A 37 -7.373 -6.455 -8.422 1.00 0.00 C ATOM 630 C GLY A 37 -7.091 -6.483 -9.924 1.00 0.00 C ATOM 631 O GLY A 37 -5.982 -6.249 -10.352 1.00 0.00 O ATOM 0 H GLY A 37 -6.258 -4.848 -7.573 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.556 -7.464 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.272 -5.873 -8.217 1.00 0.00 H new ATOM 635 N ARG A 38 -8.072 -6.768 -10.734 1.00 0.00 N ATOM 636 CA ARG A 38 -7.823 -6.807 -12.204 1.00 0.00 C ATOM 637 C ARG A 38 -7.202 -5.482 -12.667 1.00 0.00 C ATOM 638 O ARG A 38 -6.239 -5.468 -13.406 1.00 0.00 O ATOM 639 CB ARG A 38 -9.140 -7.042 -12.954 1.00 0.00 C ATOM 640 CG ARG A 38 -10.250 -6.158 -12.367 1.00 0.00 C ATOM 641 CD ARG A 38 -10.810 -5.245 -13.461 1.00 0.00 C ATOM 642 NE ARG A 38 -12.068 -4.608 -12.979 1.00 0.00 N ATOM 643 CZ ARG A 38 -12.672 -3.716 -13.715 1.00 0.00 C ATOM 644 NH1 ARG A 38 -12.173 -3.380 -14.874 1.00 0.00 N ATOM 645 NH2 ARG A 38 -13.773 -3.158 -13.292 1.00 0.00 N ATOM 0 H ARG A 38 -9.029 -6.974 -10.446 1.00 0.00 H new ATOM 0 HA ARG A 38 -7.134 -7.624 -12.420 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -9.009 -6.818 -14.013 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -9.425 -8.092 -12.883 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -11.045 -6.780 -11.956 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -9.856 -5.559 -11.546 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -10.079 -4.480 -13.721 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -11.005 -5.821 -14.366 1.00 0.00 H new ATOM 0 HE ARG A 38 -12.457 -4.870 -12.073 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -11.311 -3.815 -15.204 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -12.645 -2.683 -15.450 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -14.162 -3.419 -12.386 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -14.245 -2.461 -13.868 1.00 0.00 H new ATOM 659 N HIS A 39 -7.740 -4.371 -12.235 1.00 0.00 N ATOM 660 CA HIS A 39 -7.176 -3.049 -12.648 1.00 0.00 C ATOM 661 C HIS A 39 -7.030 -2.159 -11.410 1.00 0.00 C ATOM 662 O HIS A 39 -7.374 -2.551 -10.314 1.00 0.00 O ATOM 663 CB HIS A 39 -8.119 -2.369 -13.647 1.00 0.00 C ATOM 664 CG HIS A 39 -8.245 -3.209 -14.890 1.00 0.00 C ATOM 665 ND1 HIS A 39 -9.432 -3.291 -15.606 1.00 0.00 N ATOM 666 CD2 HIS A 39 -7.348 -4.004 -15.559 1.00 0.00 C ATOM 667 CE1 HIS A 39 -9.218 -4.109 -16.653 1.00 0.00 C ATOM 668 NE2 HIS A 39 -7.966 -4.568 -16.669 1.00 0.00 N ATOM 0 H HIS A 39 -8.547 -4.321 -11.613 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.204 -3.201 -13.117 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -9.100 -2.226 -13.194 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -7.739 -1.380 -13.903 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.321 -4.166 -15.268 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -9.967 -4.362 -17.389 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -7.549 -5.200 -17.352 1.00 0.00 H new ATOM 677 N SER A 40 -6.522 -0.965 -11.569 1.00 0.00 N ATOM 678 CA SER A 40 -6.360 -0.068 -10.390 1.00 0.00 C ATOM 679 C SER A 40 -7.730 0.299 -9.812 1.00 0.00 C ATOM 680 O SER A 40 -8.749 0.166 -10.460 1.00 0.00 O ATOM 681 CB SER A 40 -5.632 1.208 -10.810 1.00 0.00 C ATOM 682 OG SER A 40 -6.451 1.945 -11.707 1.00 0.00 O ATOM 0 H SER A 40 -6.214 -0.575 -12.460 1.00 0.00 H new ATOM 0 HA SER A 40 -5.779 -0.590 -9.630 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.399 1.812 -9.933 1.00 0.00 H new ATOM 0 HB3 SER A 40 -4.684 0.959 -11.287 1.00 0.00 H new ATOM 0 HG SER A 40 -6.011 2.791 -11.932 1.00 0.00 H new ATOM 688 N GLY A 41 -7.753 0.764 -8.590 1.00 0.00 N ATOM 689 CA GLY A 41 -9.046 1.146 -7.951 1.00 0.00 C ATOM 690 C GLY A 41 -10.051 0.001 -8.085 1.00 0.00 C ATOM 691 O GLY A 41 -10.636 -0.203 -9.130 1.00 0.00 O ATOM 0 H GLY A 41 -6.928 0.896 -8.005 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -8.886 1.380 -6.898 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.442 2.046 -8.421 1.00 0.00 H new ATOM 695 N GLN A 42 -10.256 -0.753 -7.034 1.00 0.00 N ATOM 696 CA GLN A 42 -11.225 -1.889 -7.107 1.00 0.00 C ATOM 697 C GLN A 42 -12.095 -1.929 -5.846 1.00 0.00 C ATOM 698 O GLN A 42 -12.999 -2.732 -5.735 1.00 0.00 O ATOM 699 CB GLN A 42 -10.459 -3.210 -7.225 1.00 0.00 C ATOM 700 CG GLN A 42 -9.494 -3.145 -8.410 1.00 0.00 C ATOM 701 CD GLN A 42 -8.071 -2.932 -7.894 1.00 0.00 C ATOM 702 OE1 GLN A 42 -7.430 -3.860 -7.447 1.00 0.00 O ATOM 703 NE2 GLN A 42 -7.549 -1.738 -7.934 1.00 0.00 N ATOM 0 H GLN A 42 -9.796 -0.632 -6.132 1.00 0.00 H new ATOM 0 HA GLN A 42 -11.863 -1.748 -7.980 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -9.907 -3.405 -6.305 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -11.158 -4.036 -7.358 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -9.549 -4.067 -8.989 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -9.776 -2.332 -9.079 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -8.088 -0.958 -8.310 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -6.601 -1.584 -7.589 1.00 0.00 H new ATOM 712 N ALA A 43 -11.826 -1.084 -4.888 1.00 0.00 N ATOM 713 CA ALA A 43 -12.639 -1.100 -3.637 1.00 0.00 C ATOM 714 C ALA A 43 -14.070 -0.652 -3.941 1.00 0.00 C ATOM 715 O ALA A 43 -14.294 0.382 -4.538 1.00 0.00 O ATOM 716 CB ALA A 43 -12.014 -0.148 -2.615 1.00 0.00 C ATOM 0 H ALA A 43 -11.082 -0.386 -4.916 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.659 -2.112 -3.233 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.606 -0.157 -1.700 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.997 -0.470 -2.393 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -11.994 0.862 -3.024 1.00 0.00 H new ATOM 722 N GLU A 44 -15.044 -1.423 -3.531 1.00 0.00 N ATOM 723 CA GLU A 44 -16.460 -1.038 -3.792 1.00 0.00 C ATOM 724 C GLU A 44 -16.910 -0.005 -2.757 1.00 0.00 C ATOM 725 O GLU A 44 -17.368 1.069 -3.095 1.00 0.00 O ATOM 726 CB GLU A 44 -17.351 -2.278 -3.696 1.00 0.00 C ATOM 727 CG GLU A 44 -16.967 -3.269 -4.797 1.00 0.00 C ATOM 728 CD GLU A 44 -17.905 -4.477 -4.745 1.00 0.00 C ATOM 729 OE1 GLU A 44 -18.664 -4.573 -3.795 1.00 0.00 O ATOM 730 OE2 GLU A 44 -17.847 -5.285 -5.658 1.00 0.00 O ATOM 0 H GLU A 44 -14.919 -2.301 -3.027 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.540 -0.608 -4.790 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -17.239 -2.744 -2.717 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -18.399 -1.995 -3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -17.030 -2.788 -5.773 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -15.934 -3.591 -4.667 1.00 0.00 H new ATOM 737 N GLY A 45 -16.778 -0.318 -1.494 1.00 0.00 N ATOM 738 CA GLY A 45 -17.194 0.651 -0.439 1.00 0.00 C ATOM 739 C GLY A 45 -16.368 1.929 -0.582 1.00 0.00 C ATOM 740 O GLY A 45 -16.858 3.025 -0.402 1.00 0.00 O ATOM 0 H GLY A 45 -16.401 -1.201 -1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -18.256 0.877 -0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -17.047 0.217 0.550 1.00 0.00 H new ATOM 744 N TYR A 46 -15.115 1.789 -0.913 1.00 0.00 N ATOM 745 CA TYR A 46 -14.242 2.983 -1.083 1.00 0.00 C ATOM 746 C TYR A 46 -14.041 3.254 -2.573 1.00 0.00 C ATOM 747 O TYR A 46 -13.934 2.342 -3.369 1.00 0.00 O ATOM 748 CB TYR A 46 -12.883 2.726 -0.432 1.00 0.00 C ATOM 749 CG TYR A 46 -11.947 3.860 -0.774 1.00 0.00 C ATOM 750 CD1 TYR A 46 -11.187 3.796 -1.947 1.00 0.00 C ATOM 751 CD2 TYR A 46 -11.843 4.973 0.070 1.00 0.00 C ATOM 752 CE1 TYR A 46 -10.321 4.841 -2.279 1.00 0.00 C ATOM 753 CE2 TYR A 46 -10.976 6.021 -0.263 1.00 0.00 C ATOM 754 CZ TYR A 46 -10.215 5.955 -1.437 1.00 0.00 C ATOM 755 OH TYR A 46 -9.360 6.989 -1.765 1.00 0.00 O ATOM 0 H TYR A 46 -14.655 0.893 -1.074 1.00 0.00 H new ATOM 0 HA TYR A 46 -14.714 3.844 -0.610 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -12.994 2.644 0.649 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -12.471 1.780 -0.783 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -11.270 2.937 -2.597 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -12.430 5.023 0.975 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -9.734 4.790 -3.184 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -10.894 6.881 0.386 1.00 0.00 H new ATOM 0 HH TYR A 46 -9.407 7.684 -1.076 1.00 0.00 H new ATOM 765 N SER A 47 -13.988 4.500 -2.955 1.00 0.00 N ATOM 766 CA SER A 47 -13.793 4.834 -4.393 1.00 0.00 C ATOM 767 C SER A 47 -12.458 5.559 -4.570 1.00 0.00 C ATOM 768 O SER A 47 -11.979 6.229 -3.677 1.00 0.00 O ATOM 769 CB SER A 47 -14.930 5.741 -4.863 1.00 0.00 C ATOM 770 OG SER A 47 -14.858 6.981 -4.171 1.00 0.00 O ATOM 0 H SER A 47 -14.072 5.303 -2.331 1.00 0.00 H new ATOM 0 HA SER A 47 -13.791 3.917 -4.983 1.00 0.00 H new ATOM 0 HB2 SER A 47 -14.858 5.907 -5.938 1.00 0.00 H new ATOM 0 HB3 SER A 47 -15.892 5.263 -4.678 1.00 0.00 H new ATOM 0 HG SER A 47 -15.585 7.566 -4.471 1.00 0.00 H new ATOM 776 N TYR A 48 -11.859 5.434 -5.722 1.00 0.00 N ATOM 777 CA TYR A 48 -10.557 6.116 -5.973 1.00 0.00 C ATOM 778 C TYR A 48 -10.786 7.291 -6.920 1.00 0.00 C ATOM 779 O TYR A 48 -11.770 7.344 -7.631 1.00 0.00 O ATOM 780 CB TYR A 48 -9.573 5.136 -6.613 1.00 0.00 C ATOM 781 CG TYR A 48 -9.253 4.029 -5.640 1.00 0.00 C ATOM 782 CD1 TYR A 48 -10.161 2.983 -5.445 1.00 0.00 C ATOM 783 CD2 TYR A 48 -8.046 4.050 -4.930 1.00 0.00 C ATOM 784 CE1 TYR A 48 -9.863 1.956 -4.541 1.00 0.00 C ATOM 785 CE2 TYR A 48 -7.748 3.025 -4.025 1.00 0.00 C ATOM 786 CZ TYR A 48 -8.655 1.977 -3.832 1.00 0.00 C ATOM 787 OH TYR A 48 -8.362 0.965 -2.940 1.00 0.00 O ATOM 0 H TYR A 48 -12.217 4.886 -6.504 1.00 0.00 H new ATOM 0 HA TYR A 48 -10.145 6.472 -5.029 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -10.001 4.719 -7.525 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -8.659 5.657 -6.899 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -11.092 2.967 -5.992 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -7.345 4.858 -5.081 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -10.564 1.148 -4.390 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -6.818 3.043 -3.476 1.00 0.00 H new ATOM 0 HH TYR A 48 -7.409 0.995 -2.713 1.00 0.00 H new ATOM 797 N THR A 49 -9.888 8.233 -6.941 1.00 0.00 N ATOM 798 CA THR A 49 -10.067 9.397 -7.849 1.00 0.00 C ATOM 799 C THR A 49 -10.085 8.892 -9.289 1.00 0.00 C ATOM 800 O THR A 49 -9.613 7.810 -9.582 1.00 0.00 O ATOM 801 CB THR A 49 -8.907 10.381 -7.678 1.00 0.00 C ATOM 802 OG1 THR A 49 -7.995 10.215 -8.753 1.00 0.00 O ATOM 803 CG2 THR A 49 -8.186 10.110 -6.358 1.00 0.00 C ATOM 0 H THR A 49 -9.042 8.248 -6.372 1.00 0.00 H new ATOM 0 HA THR A 49 -11.001 9.905 -7.610 1.00 0.00 H new ATOM 0 HB THR A 49 -9.295 11.400 -7.672 1.00 0.00 H new ATOM 0 HG1 THR A 49 -7.601 11.082 -8.985 1.00 0.00 H new ATOM 0 HG21 THR A 49 -7.362 10.814 -6.243 1.00 0.00 H new ATOM 0 HG22 THR A 49 -8.885 10.231 -5.530 1.00 0.00 H new ATOM 0 HG23 THR A 49 -7.797 9.092 -6.358 1.00 0.00 H new ATOM 811 N ASP A 50 -10.622 9.657 -10.191 1.00 0.00 N ATOM 812 CA ASP A 50 -10.661 9.209 -11.607 1.00 0.00 C ATOM 813 C ASP A 50 -9.232 8.992 -12.111 1.00 0.00 C ATOM 814 O ASP A 50 -8.997 8.227 -13.023 1.00 0.00 O ATOM 815 CB ASP A 50 -11.373 10.260 -12.467 1.00 0.00 C ATOM 816 CG ASP A 50 -10.605 11.586 -12.426 1.00 0.00 C ATOM 817 OD1 ASP A 50 -9.497 11.595 -11.922 1.00 0.00 O ATOM 818 OD2 ASP A 50 -11.146 12.572 -12.898 1.00 0.00 O ATOM 0 H ASP A 50 -11.035 10.572 -10.011 1.00 0.00 H new ATOM 0 HA ASP A 50 -11.211 8.271 -11.677 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -11.450 9.907 -13.496 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -12.390 10.409 -12.104 1.00 0.00 H new ATOM 823 N ALA A 51 -8.276 9.661 -11.529 1.00 0.00 N ATOM 824 CA ALA A 51 -6.870 9.492 -11.989 1.00 0.00 C ATOM 825 C ALA A 51 -6.457 8.021 -11.894 1.00 0.00 C ATOM 826 O ALA A 51 -6.009 7.437 -12.858 1.00 0.00 O ATOM 827 CB ALA A 51 -5.946 10.347 -11.117 1.00 0.00 C ATOM 0 H ALA A 51 -8.407 10.315 -10.757 1.00 0.00 H new ATOM 0 HA ALA A 51 -6.791 9.811 -13.028 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.916 10.226 -11.451 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.234 11.395 -11.201 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.030 10.030 -10.078 1.00 0.00 H new ATOM 833 N ASN A 52 -6.607 7.406 -10.753 1.00 0.00 N ATOM 834 CA ASN A 52 -6.215 5.969 -10.635 1.00 0.00 C ATOM 835 C ASN A 52 -7.037 5.129 -11.619 1.00 0.00 C ATOM 836 O ASN A 52 -6.544 4.193 -12.216 1.00 0.00 O ATOM 837 CB ASN A 52 -6.470 5.475 -9.207 1.00 0.00 C ATOM 838 CG ASN A 52 -5.768 4.131 -9.004 1.00 0.00 C ATOM 839 OD1 ASN A 52 -4.679 3.923 -9.500 1.00 0.00 O ATOM 840 ND2 ASN A 52 -6.346 3.201 -8.291 1.00 0.00 N ATOM 0 H ASN A 52 -6.980 7.830 -9.904 1.00 0.00 H new ATOM 0 HA ASN A 52 -5.155 5.869 -10.867 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -6.100 6.204 -8.486 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -7.541 5.369 -9.032 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -5.883 2.303 -8.152 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -7.261 3.373 -7.873 1.00 0.00 H new ATOM 847 N ILE A 53 -8.292 5.450 -11.780 1.00 0.00 N ATOM 848 CA ILE A 53 -9.160 4.666 -12.709 1.00 0.00 C ATOM 849 C ILE A 53 -8.746 4.880 -14.171 1.00 0.00 C ATOM 850 O ILE A 53 -8.644 3.941 -14.936 1.00 0.00 O ATOM 851 CB ILE A 53 -10.614 5.107 -12.529 1.00 0.00 C ATOM 852 CG1 ILE A 53 -11.039 4.881 -11.076 1.00 0.00 C ATOM 853 CG2 ILE A 53 -11.514 4.288 -13.455 1.00 0.00 C ATOM 854 CD1 ILE A 53 -12.446 5.439 -10.862 1.00 0.00 C ATOM 0 H ILE A 53 -8.757 6.225 -11.307 1.00 0.00 H new ATOM 0 HA ILE A 53 -9.050 3.608 -12.472 1.00 0.00 H new ATOM 0 HB ILE A 53 -10.706 6.165 -12.775 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -11.019 3.817 -10.842 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -10.336 5.369 -10.401 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -12.550 4.602 -13.327 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -11.212 4.447 -14.490 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -11.423 3.230 -13.209 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -12.748 5.278 -9.827 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -12.451 6.507 -11.079 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -13.144 4.931 -11.527 1.00 0.00 H new ATOM 866 N LYS A 54 -8.529 6.104 -14.578 1.00 0.00 N ATOM 867 CA LYS A 54 -8.151 6.359 -15.999 1.00 0.00 C ATOM 868 C LYS A 54 -6.862 5.618 -16.361 1.00 0.00 C ATOM 869 O LYS A 54 -6.727 5.093 -17.448 1.00 0.00 O ATOM 870 CB LYS A 54 -7.953 7.861 -16.210 1.00 0.00 C ATOM 871 CG LYS A 54 -9.307 8.570 -16.142 1.00 0.00 C ATOM 872 CD LYS A 54 -9.120 10.058 -16.444 1.00 0.00 C ATOM 873 CE LYS A 54 -10.455 10.786 -16.270 1.00 0.00 C ATOM 874 NZ LYS A 54 -10.268 11.955 -15.366 1.00 0.00 N ATOM 0 H LYS A 54 -8.597 6.935 -13.990 1.00 0.00 H new ATOM 0 HA LYS A 54 -8.952 5.995 -16.643 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -7.283 8.261 -15.449 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -7.483 8.044 -17.176 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -9.998 8.127 -16.859 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -9.748 8.441 -15.153 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -8.371 10.484 -15.776 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -8.752 10.190 -17.461 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -10.830 11.118 -17.238 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -11.200 10.107 -15.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -11.093 12.045 -14.740 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -9.412 11.817 -14.792 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -10.168 12.821 -15.934 1.00 0.00 H new ATOM 888 N LYS A 55 -5.915 5.568 -15.471 1.00 0.00 N ATOM 889 CA LYS A 55 -4.645 4.857 -15.789 1.00 0.00 C ATOM 890 C LYS A 55 -4.942 3.386 -16.081 1.00 0.00 C ATOM 891 O LYS A 55 -4.305 2.770 -16.912 1.00 0.00 O ATOM 892 CB LYS A 55 -3.679 4.960 -14.605 1.00 0.00 C ATOM 893 CG LYS A 55 -3.353 6.432 -14.320 1.00 0.00 C ATOM 894 CD LYS A 55 -2.502 7.011 -15.455 1.00 0.00 C ATOM 895 CE LYS A 55 -1.824 8.296 -14.977 1.00 0.00 C ATOM 896 NZ LYS A 55 -1.889 9.323 -16.055 1.00 0.00 N ATOM 0 H LYS A 55 -5.962 5.985 -14.542 1.00 0.00 H new ATOM 0 HA LYS A 55 -4.187 5.317 -16.665 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -4.123 4.500 -13.722 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.763 4.412 -14.824 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -4.275 7.004 -14.218 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -2.819 6.518 -13.374 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.751 6.285 -15.768 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -3.127 7.218 -16.324 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.316 8.666 -14.077 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.786 8.095 -14.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.428 10.197 -15.730 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.401 8.968 -16.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -2.883 9.521 -16.286 1.00 0.00 H new ATOM 910 N ASN A 56 -5.901 2.813 -15.407 1.00 0.00 N ATOM 911 CA ASN A 56 -6.220 1.382 -15.659 1.00 0.00 C ATOM 912 C ASN A 56 -4.937 0.562 -15.539 1.00 0.00 C ATOM 913 O ASN A 56 -4.562 -0.157 -16.444 1.00 0.00 O ATOM 914 CB ASN A 56 -6.803 1.219 -17.063 1.00 0.00 C ATOM 915 CG ASN A 56 -7.445 -0.162 -17.190 1.00 0.00 C ATOM 916 OD1 ASN A 56 -8.211 -0.410 -18.101 1.00 0.00 O ATOM 917 ND2 ASN A 56 -7.162 -1.084 -16.309 1.00 0.00 N ATOM 0 H ASN A 56 -6.473 3.271 -14.698 1.00 0.00 H new ATOM 0 HA ASN A 56 -6.952 1.036 -14.930 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.544 1.995 -17.253 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.018 1.337 -17.810 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -7.583 -2.010 -16.386 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -6.520 -0.878 -15.544 1.00 0.00 H new ATOM 924 N VAL A 57 -4.254 0.681 -14.433 1.00 0.00 N ATOM 925 CA VAL A 57 -2.983 -0.070 -14.250 1.00 0.00 C ATOM 926 C VAL A 57 -3.150 -1.118 -13.151 1.00 0.00 C ATOM 927 O VAL A 57 -3.894 -0.941 -12.210 1.00 0.00 O ATOM 928 CB VAL A 57 -1.871 0.903 -13.854 1.00 0.00 C ATOM 929 CG1 VAL A 57 -2.227 1.571 -12.525 1.00 0.00 C ATOM 930 CG2 VAL A 57 -0.559 0.135 -13.697 1.00 0.00 C ATOM 0 H VAL A 57 -4.525 1.270 -13.645 1.00 0.00 H new ATOM 0 HA VAL A 57 -2.724 -0.567 -15.185 1.00 0.00 H new ATOM 0 HB VAL A 57 -1.761 1.664 -14.627 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -1.435 2.264 -12.243 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -3.165 2.116 -12.631 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -2.335 0.810 -11.753 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.235 0.826 -13.415 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -0.672 -0.624 -12.923 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.303 -0.346 -14.641 1.00 0.00 H new ATOM 940 N LEU A 58 -2.458 -2.213 -13.268 1.00 0.00 N ATOM 941 CA LEU A 58 -2.567 -3.280 -12.238 1.00 0.00 C ATOM 942 C LEU A 58 -1.566 -3.006 -11.114 1.00 0.00 C ATOM 943 O LEU A 58 -0.399 -2.785 -11.356 1.00 0.00 O ATOM 944 CB LEU A 58 -2.255 -4.629 -12.891 1.00 0.00 C ATOM 945 CG LEU A 58 -2.262 -5.737 -11.839 1.00 0.00 C ATOM 946 CD1 LEU A 58 -3.640 -5.813 -11.188 1.00 0.00 C ATOM 947 CD2 LEU A 58 -1.946 -7.075 -12.510 1.00 0.00 C ATOM 0 H LEU A 58 -1.818 -2.417 -14.036 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.574 -3.297 -11.822 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -2.992 -4.846 -13.664 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -1.282 -4.588 -13.381 1.00 0.00 H new ATOM 0 HG LEU A 58 -1.511 -5.521 -11.079 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -3.645 -6.604 -10.438 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -3.871 -4.860 -10.712 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.390 -6.030 -11.948 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.950 -7.867 -11.762 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.699 -7.288 -13.269 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.963 -7.024 -12.979 1.00 0.00 H new ATOM 959 N TRP A 59 -2.014 -3.023 -9.888 1.00 0.00 N ATOM 960 CA TRP A 59 -1.084 -2.769 -8.751 1.00 0.00 C ATOM 961 C TRP A 59 -0.323 -4.057 -8.426 1.00 0.00 C ATOM 962 O TRP A 59 -0.885 -5.133 -8.408 1.00 0.00 O ATOM 963 CB TRP A 59 -1.882 -2.313 -7.524 1.00 0.00 C ATOM 964 CG TRP A 59 -2.202 -0.858 -7.645 1.00 0.00 C ATOM 965 CD1 TRP A 59 -3.429 -0.351 -7.881 1.00 0.00 C ATOM 966 CD2 TRP A 59 -1.304 0.282 -7.531 1.00 0.00 C ATOM 967 NE1 TRP A 59 -3.345 1.032 -7.938 1.00 0.00 N ATOM 968 CE2 TRP A 59 -2.052 1.467 -7.723 1.00 0.00 C ATOM 969 CE3 TRP A 59 0.074 0.399 -7.285 1.00 0.00 C ATOM 970 CZ2 TRP A 59 -1.453 2.723 -7.674 1.00 0.00 C ATOM 971 CZ3 TRP A 59 0.681 1.663 -7.231 1.00 0.00 C ATOM 972 CH2 TRP A 59 -0.081 2.823 -7.426 1.00 0.00 C ATOM 0 H TRP A 59 -2.983 -3.202 -9.625 1.00 0.00 H new ATOM 0 HA TRP A 59 -0.375 -1.987 -9.025 1.00 0.00 H new ATOM 0 HB2 TRP A 59 -2.802 -2.892 -7.440 1.00 0.00 H new ATOM 0 HB3 TRP A 59 -1.307 -2.495 -6.616 1.00 0.00 H new ATOM 0 HD1 TRP A 59 -4.332 -0.929 -8.006 1.00 0.00 H new ATOM 0 HE1 TRP A 59 -4.137 1.649 -8.116 1.00 0.00 H new ATOM 0 HE3 TRP A 59 0.670 -0.489 -7.137 1.00 0.00 H new ATOM 0 HZ2 TRP A 59 -2.044 3.614 -7.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 59 1.741 1.742 -7.038 1.00 0.00 H new ATOM 0 HH2 TRP A 59 0.391 3.793 -7.385 1.00 0.00 H new ATOM 983 N ASP A 60 0.954 -3.955 -8.173 1.00 0.00 N ATOM 984 CA ASP A 60 1.751 -5.173 -7.853 1.00 0.00 C ATOM 985 C ASP A 60 2.928 -4.789 -6.966 1.00 0.00 C ATOM 986 O ASP A 60 3.149 -3.632 -6.671 1.00 0.00 O ATOM 987 CB ASP A 60 2.279 -5.805 -9.141 1.00 0.00 C ATOM 988 CG ASP A 60 2.947 -7.143 -8.818 1.00 0.00 C ATOM 989 OD1 ASP A 60 2.662 -7.687 -7.764 1.00 0.00 O ATOM 990 OD2 ASP A 60 3.733 -7.602 -9.632 1.00 0.00 O ATOM 0 H ASP A 60 1.479 -3.081 -8.174 1.00 0.00 H new ATOM 0 HA ASP A 60 1.114 -5.889 -7.334 1.00 0.00 H new ATOM 0 HB2 ASP A 60 1.462 -5.956 -9.846 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.994 -5.136 -9.620 1.00 0.00 H new ATOM 995 N GLU A 61 3.685 -5.754 -6.536 1.00 0.00 N ATOM 996 CA GLU A 61 4.850 -5.447 -5.663 1.00 0.00 C ATOM 997 C GLU A 61 5.819 -4.531 -6.411 1.00 0.00 C ATOM 998 O GLU A 61 6.387 -3.618 -5.846 1.00 0.00 O ATOM 999 CB GLU A 61 5.566 -6.745 -5.287 1.00 0.00 C ATOM 1000 CG GLU A 61 4.642 -7.609 -4.427 1.00 0.00 C ATOM 1001 CD GLU A 61 5.385 -8.875 -3.995 1.00 0.00 C ATOM 1002 OE1 GLU A 61 6.462 -9.114 -4.516 1.00 0.00 O ATOM 1003 OE2 GLU A 61 4.864 -9.584 -3.150 1.00 0.00 O ATOM 0 H GLU A 61 3.549 -6.742 -6.750 1.00 0.00 H new ATOM 0 HA GLU A 61 4.502 -4.950 -4.758 1.00 0.00 H new ATOM 0 HB2 GLU A 61 5.854 -7.287 -6.187 1.00 0.00 H new ATOM 0 HB3 GLU A 61 6.483 -6.522 -4.742 1.00 0.00 H new ATOM 0 HG2 GLU A 61 4.315 -7.050 -3.551 1.00 0.00 H new ATOM 0 HG3 GLU A 61 3.746 -7.874 -4.989 1.00 0.00 H new ATOM 1010 N ASN A 62 6.005 -4.761 -7.680 1.00 0.00 N ATOM 1011 CA ASN A 62 6.931 -3.895 -8.461 1.00 0.00 C ATOM 1012 C ASN A 62 6.377 -2.471 -8.502 1.00 0.00 C ATOM 1013 O ASN A 62 7.093 -1.507 -8.320 1.00 0.00 O ATOM 1014 CB ASN A 62 7.051 -4.434 -9.887 1.00 0.00 C ATOM 1015 CG ASN A 62 7.698 -5.820 -9.857 1.00 0.00 C ATOM 1016 OD1 ASN A 62 7.244 -6.730 -10.523 1.00 0.00 O ATOM 1017 ND2 ASN A 62 8.746 -6.023 -9.107 1.00 0.00 N ATOM 0 H ASN A 62 5.557 -5.509 -8.209 1.00 0.00 H new ATOM 0 HA ASN A 62 7.914 -3.892 -7.989 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.066 -4.491 -10.349 1.00 0.00 H new ATOM 0 HB3 ASN A 62 7.649 -3.755 -10.494 1.00 0.00 H new ATOM 0 HD21 ASN A 62 9.183 -6.944 -9.080 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.128 -5.261 -8.548 1.00 0.00 H new ATOM 1024 N ASN A 63 5.103 -2.338 -8.739 1.00 0.00 N ATOM 1025 CA ASN A 63 4.489 -0.981 -8.791 1.00 0.00 C ATOM 1026 C ASN A 63 4.607 -0.314 -7.420 1.00 0.00 C ATOM 1027 O ASN A 63 4.849 0.872 -7.314 1.00 0.00 O ATOM 1028 CB ASN A 63 3.011 -1.107 -9.166 1.00 0.00 C ATOM 1029 CG ASN A 63 2.887 -1.740 -10.552 1.00 0.00 C ATOM 1030 OD1 ASN A 63 3.732 -1.543 -11.402 1.00 0.00 O ATOM 1031 ND2 ASN A 63 1.860 -2.500 -10.815 1.00 0.00 N ATOM 0 H ASN A 63 4.458 -3.112 -8.899 1.00 0.00 H new ATOM 0 HA ASN A 63 5.007 -0.377 -9.536 1.00 0.00 H new ATOM 0 HB2 ASN A 63 2.489 -1.716 -8.428 1.00 0.00 H new ATOM 0 HB3 ASN A 63 2.539 -0.125 -9.160 1.00 0.00 H new ATOM 0 HD21 ASN A 63 1.766 -2.930 -11.735 1.00 0.00 H new ATOM 0 HD22 ASN A 63 1.151 -2.665 -10.100 1.00 0.00 H new ATOM 1038 N MET A 64 4.433 -1.067 -6.369 1.00 0.00 N ATOM 1039 CA MET A 64 4.530 -0.477 -5.006 1.00 0.00 C ATOM 1040 C MET A 64 5.931 0.093 -4.786 1.00 0.00 C ATOM 1041 O MET A 64 6.097 1.130 -4.176 1.00 0.00 O ATOM 1042 CB MET A 64 4.245 -1.559 -3.961 1.00 0.00 C ATOM 1043 CG MET A 64 2.762 -1.932 -3.997 1.00 0.00 C ATOM 1044 SD MET A 64 1.770 -0.507 -3.485 1.00 0.00 S ATOM 1045 CE MET A 64 0.183 -1.075 -4.144 1.00 0.00 C ATOM 0 H MET A 64 4.228 -2.066 -6.396 1.00 0.00 H new ATOM 0 HA MET A 64 3.799 0.325 -4.908 1.00 0.00 H new ATOM 0 HB2 MET A 64 4.856 -2.439 -4.159 1.00 0.00 H new ATOM 0 HB3 MET A 64 4.516 -1.200 -2.968 1.00 0.00 H new ATOM 0 HG2 MET A 64 2.479 -2.244 -5.002 1.00 0.00 H new ATOM 0 HG3 MET A 64 2.572 -2.777 -3.336 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.476 -0.220 -4.294 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.344 -1.580 -5.096 1.00 0.00 H new ATOM 0 HE3 MET A 64 -0.277 -1.768 -3.439 1.00 0.00 H new ATOM 1055 N SER A 65 6.942 -0.567 -5.280 1.00 0.00 N ATOM 1056 CA SER A 65 8.322 -0.041 -5.092 1.00 0.00 C ATOM 1057 C SER A 65 8.413 1.346 -5.724 1.00 0.00 C ATOM 1058 O SER A 65 8.975 2.264 -5.160 1.00 0.00 O ATOM 1059 CB SER A 65 9.325 -0.979 -5.765 1.00 0.00 C ATOM 1060 OG SER A 65 9.143 -2.298 -5.266 1.00 0.00 O ATOM 0 H SER A 65 6.873 -1.441 -5.802 1.00 0.00 H new ATOM 0 HA SER A 65 8.551 0.022 -4.028 1.00 0.00 H new ATOM 0 HB2 SER A 65 9.185 -0.964 -6.846 1.00 0.00 H new ATOM 0 HB3 SER A 65 10.343 -0.642 -5.571 1.00 0.00 H new ATOM 0 HG SER A 65 9.783 -2.902 -5.697 1.00 0.00 H new ATOM 1066 N GLU A 66 7.851 1.506 -6.889 1.00 0.00 N ATOM 1067 CA GLU A 66 7.886 2.830 -7.561 1.00 0.00 C ATOM 1068 C GLU A 66 6.970 3.800 -6.812 1.00 0.00 C ATOM 1069 O GLU A 66 7.227 4.984 -6.745 1.00 0.00 O ATOM 1070 CB GLU A 66 7.397 2.677 -9.003 1.00 0.00 C ATOM 1071 CG GLU A 66 8.377 1.803 -9.788 1.00 0.00 C ATOM 1072 CD GLU A 66 9.743 2.489 -9.848 1.00 0.00 C ATOM 1073 OE1 GLU A 66 9.794 3.686 -9.617 1.00 0.00 O ATOM 1074 OE2 GLU A 66 10.715 1.806 -10.126 1.00 0.00 O ATOM 0 H GLU A 66 7.367 0.772 -7.406 1.00 0.00 H new ATOM 0 HA GLU A 66 8.905 3.217 -7.561 1.00 0.00 H new ATOM 0 HB2 GLU A 66 6.404 2.228 -9.015 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.310 3.656 -9.474 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.470 0.826 -9.313 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.000 1.632 -10.796 1.00 0.00 H new ATOM 1081 N TYR A 67 5.899 3.305 -6.257 1.00 0.00 N ATOM 1082 CA TYR A 67 4.954 4.192 -5.520 1.00 0.00 C ATOM 1083 C TYR A 67 5.668 4.883 -4.357 1.00 0.00 C ATOM 1084 O TYR A 67 5.567 6.081 -4.181 1.00 0.00 O ATOM 1085 CB TYR A 67 3.804 3.346 -4.969 1.00 0.00 C ATOM 1086 CG TYR A 67 2.860 4.225 -4.187 1.00 0.00 C ATOM 1087 CD1 TYR A 67 1.871 4.954 -4.853 1.00 0.00 C ATOM 1088 CD2 TYR A 67 2.978 4.313 -2.796 1.00 0.00 C ATOM 1089 CE1 TYR A 67 0.996 5.772 -4.128 1.00 0.00 C ATOM 1090 CE2 TYR A 67 2.104 5.131 -2.070 1.00 0.00 C ATOM 1091 CZ TYR A 67 1.112 5.861 -2.736 1.00 0.00 C ATOM 1092 OH TYR A 67 0.251 6.667 -2.021 1.00 0.00 O ATOM 0 H TYR A 67 5.636 2.320 -6.282 1.00 0.00 H new ATOM 0 HA TYR A 67 4.573 4.951 -6.203 1.00 0.00 H new ATOM 0 HB2 TYR A 67 3.272 2.860 -5.787 1.00 0.00 H new ATOM 0 HB3 TYR A 67 4.195 2.555 -4.329 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.782 4.886 -5.927 1.00 0.00 H new ATOM 0 HD2 TYR A 67 3.743 3.750 -2.282 1.00 0.00 H new ATOM 0 HE1 TYR A 67 0.231 6.334 -4.643 1.00 0.00 H new ATOM 0 HE2 TYR A 67 2.195 5.199 -0.996 1.00 0.00 H new ATOM 0 HH TYR A 67 0.468 6.613 -1.067 1.00 0.00 H new ATOM 1102 N LEU A 68 6.379 4.141 -3.558 1.00 0.00 N ATOM 1103 CA LEU A 68 7.087 4.756 -2.404 1.00 0.00 C ATOM 1104 C LEU A 68 8.240 5.632 -2.896 1.00 0.00 C ATOM 1105 O LEU A 68 8.463 6.717 -2.397 1.00 0.00 O ATOM 1106 CB LEU A 68 7.617 3.642 -1.506 1.00 0.00 C ATOM 1107 CG LEU A 68 6.431 2.901 -0.878 1.00 0.00 C ATOM 1108 CD1 LEU A 68 6.930 1.675 -0.114 1.00 0.00 C ATOM 1109 CD2 LEU A 68 5.697 3.832 0.093 1.00 0.00 C ATOM 0 H LEU A 68 6.501 3.133 -3.655 1.00 0.00 H new ATOM 0 HA LEU A 68 6.397 5.386 -1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 68 8.229 2.951 -2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 68 8.256 4.058 -0.727 1.00 0.00 H new ATOM 0 HG LEU A 68 5.752 2.585 -1.670 1.00 0.00 H new ATOM 0 HD11 LEU A 68 6.082 1.153 0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 68 7.450 1.006 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.614 1.991 0.673 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.854 3.303 0.538 1.00 0.00 H new ATOM 0 HD22 LEU A 68 6.381 4.151 0.879 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.332 4.706 -0.447 1.00 0.00 H new ATOM 1121 N THR A 69 8.970 5.178 -3.874 1.00 0.00 N ATOM 1122 CA THR A 69 10.102 5.996 -4.395 1.00 0.00 C ATOM 1123 C THR A 69 9.551 7.190 -5.177 1.00 0.00 C ATOM 1124 O THR A 69 10.054 8.292 -5.085 1.00 0.00 O ATOM 1125 CB THR A 69 10.969 5.136 -5.319 1.00 0.00 C ATOM 1126 OG1 THR A 69 10.218 4.777 -6.471 1.00 0.00 O ATOM 1127 CG2 THR A 69 11.409 3.872 -4.580 1.00 0.00 C ATOM 0 H THR A 69 8.834 4.279 -4.335 1.00 0.00 H new ATOM 0 HA THR A 69 10.705 6.356 -3.561 1.00 0.00 H new ATOM 0 HB THR A 69 11.850 5.702 -5.621 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.772 4.228 -7.064 1.00 0.00 H new ATOM 0 HG21 THR A 69 12.026 3.261 -5.239 1.00 0.00 H new ATOM 0 HG22 THR A 69 11.985 4.149 -3.697 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.530 3.304 -4.276 1.00 0.00 H new ATOM 1135 N ASN A 70 8.517 6.977 -5.944 1.00 0.00 N ATOM 1136 CA ASN A 70 7.920 8.093 -6.734 1.00 0.00 C ATOM 1137 C ASN A 70 6.419 7.847 -6.903 1.00 0.00 C ATOM 1138 O ASN A 70 6.004 6.816 -7.395 1.00 0.00 O ATOM 1139 CB ASN A 70 8.583 8.157 -8.113 1.00 0.00 C ATOM 1140 CG ASN A 70 10.084 8.405 -7.953 1.00 0.00 C ATOM 1141 OD1 ASN A 70 10.494 9.217 -7.148 1.00 0.00 O ATOM 1142 ND2 ASN A 70 10.926 7.736 -8.692 1.00 0.00 N ATOM 0 H ASN A 70 8.057 6.074 -6.058 1.00 0.00 H new ATOM 0 HA ASN A 70 8.081 9.036 -6.211 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.414 7.225 -8.652 1.00 0.00 H new ATOM 0 HB3 ASN A 70 8.134 8.954 -8.706 1.00 0.00 H new ATOM 0 HD21 ASN A 70 11.929 7.895 -8.594 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.581 7.054 -9.368 1.00 0.00 H new ATOM 1149 N HIS A 71 5.600 8.779 -6.501 1.00 0.00 N ATOM 1150 CA HIS A 71 4.129 8.583 -6.642 1.00 0.00 C ATOM 1151 C HIS A 71 3.477 9.888 -7.104 1.00 0.00 C ATOM 1152 O HIS A 71 4.117 10.916 -7.203 1.00 0.00 O ATOM 1153 CB HIS A 71 3.536 8.162 -5.296 1.00 0.00 C ATOM 1154 CG HIS A 71 4.174 8.961 -4.194 1.00 0.00 C ATOM 1155 ND1 HIS A 71 3.431 9.752 -3.327 1.00 0.00 N ATOM 1156 CD2 HIS A 71 5.483 9.103 -3.803 1.00 0.00 C ATOM 1157 CE1 HIS A 71 4.292 10.328 -2.466 1.00 0.00 C ATOM 1158 NE2 HIS A 71 5.551 9.965 -2.714 1.00 0.00 N ATOM 0 H HIS A 71 5.884 9.665 -6.082 1.00 0.00 H new ATOM 0 HA HIS A 71 3.939 7.804 -7.381 1.00 0.00 H new ATOM 0 HB2 HIS A 71 2.458 8.320 -5.297 1.00 0.00 H new ATOM 0 HB3 HIS A 71 3.702 7.097 -5.131 1.00 0.00 H new ATOM 0 HD2 HIS A 71 6.329 8.620 -4.269 1.00 0.00 H new ATOM 0 HE1 HIS A 71 3.999 11.000 -1.673 1.00 0.00 H new ATOM 0 HE2 HIS A 71 6.388 10.258 -2.210 1.00 0.00 H new ATOM 1167 N ALA A 72 2.204 9.850 -7.384 1.00 0.00 N ATOM 1168 CA ALA A 72 1.495 11.080 -7.839 1.00 0.00 C ATOM 1169 C ALA A 72 1.866 11.389 -9.293 1.00 0.00 C ATOM 1170 O ALA A 72 1.100 11.986 -10.024 1.00 0.00 O ATOM 1171 CB ALA A 72 1.901 12.257 -6.951 1.00 0.00 C ATOM 0 H ALA A 72 1.621 9.016 -7.317 1.00 0.00 H new ATOM 0 HA ALA A 72 0.419 10.920 -7.770 1.00 0.00 H new ATOM 0 HB1 ALA A 72 1.384 13.158 -7.282 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.631 12.043 -5.917 1.00 0.00 H new ATOM 0 HB3 ALA A 72 2.978 12.411 -7.021 1.00 0.00 H new ATOM 1177 N LYS A 73 3.035 10.995 -9.718 1.00 0.00 N ATOM 1178 CA LYS A 73 3.451 11.276 -11.122 1.00 0.00 C ATOM 1179 C LYS A 73 2.488 10.604 -12.106 1.00 0.00 C ATOM 1180 O LYS A 73 2.155 11.159 -13.135 1.00 0.00 O ATOM 1181 CB LYS A 73 4.865 10.737 -11.351 1.00 0.00 C ATOM 1182 CG LYS A 73 5.852 11.499 -10.463 1.00 0.00 C ATOM 1183 CD LYS A 73 7.278 11.044 -10.779 1.00 0.00 C ATOM 1184 CE LYS A 73 8.255 11.721 -9.816 1.00 0.00 C ATOM 1185 NZ LYS A 73 9.021 12.771 -10.543 1.00 0.00 N ATOM 0 H LYS A 73 3.720 10.491 -9.155 1.00 0.00 H new ATOM 0 HA LYS A 73 3.433 12.353 -11.287 1.00 0.00 H new ATOM 0 HB2 LYS A 73 4.901 9.672 -11.122 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.142 10.847 -12.399 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.755 12.572 -10.631 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.626 11.319 -9.412 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.354 9.960 -10.689 1.00 0.00 H new ATOM 0 HD3 LYS A 73 7.532 11.296 -11.809 1.00 0.00 H new ATOM 0 HE2 LYS A 73 7.712 12.164 -8.982 1.00 0.00 H new ATOM 0 HE3 LYS A 73 8.938 10.983 -9.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 9.685 13.232 -9.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 9.551 12.336 -11.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 8.362 13.480 -10.924 1.00 0.00 H new ATOM 1199 N TYR A 74 2.045 9.414 -11.802 1.00 0.00 N ATOM 1200 CA TYR A 74 1.108 8.701 -12.723 1.00 0.00 C ATOM 1201 C TYR A 74 -0.161 8.305 -11.966 1.00 0.00 C ATOM 1202 O TYR A 74 -1.034 7.649 -12.496 1.00 0.00 O ATOM 1203 CB TYR A 74 1.794 7.448 -13.261 1.00 0.00 C ATOM 1204 CG TYR A 74 1.834 6.397 -12.181 1.00 0.00 C ATOM 1205 CD1 TYR A 74 2.810 6.461 -11.182 1.00 0.00 C ATOM 1206 CD2 TYR A 74 0.903 5.356 -12.188 1.00 0.00 C ATOM 1207 CE1 TYR A 74 2.856 5.479 -10.185 1.00 0.00 C ATOM 1208 CE2 TYR A 74 0.944 4.374 -11.190 1.00 0.00 C ATOM 1209 CZ TYR A 74 1.922 4.436 -10.188 1.00 0.00 C ATOM 1210 OH TYR A 74 1.964 3.467 -9.207 1.00 0.00 O ATOM 0 H TYR A 74 2.291 8.902 -10.955 1.00 0.00 H new ATOM 0 HA TYR A 74 0.839 9.358 -13.550 1.00 0.00 H new ATOM 0 HB2 TYR A 74 1.257 7.071 -14.131 1.00 0.00 H new ATOM 0 HB3 TYR A 74 2.806 7.686 -13.590 1.00 0.00 H new ATOM 0 HD1 TYR A 74 3.528 7.268 -11.179 1.00 0.00 H new ATOM 0 HD2 TYR A 74 0.152 5.308 -12.963 1.00 0.00 H new ATOM 0 HE1 TYR A 74 3.611 5.526 -9.414 1.00 0.00 H new ATOM 0 HE2 TYR A 74 0.223 3.570 -11.193 1.00 0.00 H new ATOM 0 HH TYR A 74 1.057 3.143 -9.028 1.00 0.00 H new ATOM 1220 N ILE A 75 -0.261 8.696 -10.728 1.00 0.00 N ATOM 1221 CA ILE A 75 -1.464 8.346 -9.917 1.00 0.00 C ATOM 1222 C ILE A 75 -2.033 9.618 -9.286 1.00 0.00 C ATOM 1223 O ILE A 75 -1.356 10.624 -9.193 1.00 0.00 O ATOM 1224 CB ILE A 75 -1.048 7.370 -8.813 1.00 0.00 C ATOM 1225 CG1 ILE A 75 0.447 7.527 -8.546 1.00 0.00 C ATOM 1226 CG2 ILE A 75 -1.336 5.932 -9.255 1.00 0.00 C ATOM 1227 CD1 ILE A 75 0.758 7.059 -7.128 1.00 0.00 C ATOM 0 H ILE A 75 0.443 9.247 -10.237 1.00 0.00 H new ATOM 0 HA ILE A 75 -2.222 7.886 -10.551 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.613 7.586 -7.906 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.020 6.944 -9.267 1.00 0.00 H new ATOM 0 HG13 ILE A 75 0.743 8.569 -8.671 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -1.038 5.242 -8.466 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -2.402 5.819 -9.453 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.773 5.711 -10.162 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.825 7.170 -6.934 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.195 7.661 -6.415 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.477 6.011 -7.021 1.00 0.00 H new ATOM 1239 N PRO A 76 -3.264 9.577 -8.849 1.00 0.00 N ATOM 1240 CA PRO A 76 -3.926 10.742 -8.213 1.00 0.00 C ATOM 1241 C PRO A 76 -2.977 11.503 -7.281 1.00 0.00 C ATOM 1242 O PRO A 76 -2.151 10.918 -6.609 1.00 0.00 O ATOM 1243 CB PRO A 76 -5.083 10.130 -7.410 1.00 0.00 C ATOM 1244 CG PRO A 76 -5.155 8.674 -7.777 1.00 0.00 C ATOM 1245 CD PRO A 76 -4.167 8.427 -8.918 1.00 0.00 C ATOM 0 HA PRO A 76 -4.256 11.469 -8.955 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -4.914 10.249 -6.340 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -6.022 10.633 -7.643 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -4.908 8.051 -6.917 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -6.166 8.407 -8.084 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -3.630 7.488 -8.787 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -4.673 8.373 -9.882 1.00 0.00 H new ATOM 1253 N GLY A 77 -3.086 12.803 -7.243 1.00 0.00 N ATOM 1254 CA GLY A 77 -2.189 13.603 -6.362 1.00 0.00 C ATOM 1255 C GLY A 77 -2.570 13.380 -4.898 1.00 0.00 C ATOM 1256 O GLY A 77 -2.171 14.124 -4.024 1.00 0.00 O ATOM 0 H GLY A 77 -3.758 13.346 -7.785 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -1.151 13.314 -6.526 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -2.268 14.661 -6.611 1.00 0.00 H new ATOM 1260 N THR A 78 -3.341 12.365 -4.622 1.00 0.00 N ATOM 1261 CA THR A 78 -3.745 12.104 -3.212 1.00 0.00 C ATOM 1262 C THR A 78 -2.501 12.079 -2.320 1.00 0.00 C ATOM 1263 O THR A 78 -1.529 11.410 -2.612 1.00 0.00 O ATOM 1264 CB THR A 78 -4.461 10.752 -3.126 1.00 0.00 C ATOM 1265 OG1 THR A 78 -5.278 10.726 -1.964 1.00 0.00 O ATOM 1266 CG2 THR A 78 -3.430 9.623 -3.053 1.00 0.00 C ATOM 0 H THR A 78 -3.708 11.707 -5.309 1.00 0.00 H new ATOM 0 HA THR A 78 -4.418 12.893 -2.876 1.00 0.00 H new ATOM 0 HB THR A 78 -5.080 10.614 -4.012 1.00 0.00 H new ATOM 0 HG1 THR A 78 -5.739 9.863 -1.907 1.00 0.00 H new ATOM 0 HG21 THR A 78 -3.944 8.664 -2.992 1.00 0.00 H new ATOM 0 HG22 THR A 78 -2.805 9.643 -3.945 1.00 0.00 H new ATOM 0 HG23 THR A 78 -2.806 9.757 -2.169 1.00 0.00 H new ATOM 1274 N LYS A 79 -2.525 12.800 -1.233 1.00 0.00 N ATOM 1275 CA LYS A 79 -1.345 12.811 -0.322 1.00 0.00 C ATOM 1276 C LYS A 79 -1.562 11.785 0.790 1.00 0.00 C ATOM 1277 O LYS A 79 -2.648 11.655 1.318 1.00 0.00 O ATOM 1278 CB LYS A 79 -1.186 14.205 0.290 1.00 0.00 C ATOM 1279 CG LYS A 79 -0.875 15.216 -0.815 1.00 0.00 C ATOM 1280 CD LYS A 79 -0.601 16.586 -0.191 1.00 0.00 C ATOM 1281 CE LYS A 79 -0.411 17.622 -1.300 1.00 0.00 C ATOM 1282 NZ LYS A 79 -1.709 17.848 -1.998 1.00 0.00 N ATOM 0 H LYS A 79 -3.309 13.381 -0.936 1.00 0.00 H new ATOM 0 HA LYS A 79 -0.445 12.559 -0.882 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -2.099 14.491 0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -0.385 14.200 1.029 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -0.010 14.887 -1.390 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -1.713 15.282 -1.509 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.430 16.876 0.454 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.290 16.541 0.436 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -0.045 18.558 -0.879 1.00 0.00 H new ATOM 0 HE3 LYS A 79 0.340 17.277 -2.010 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -1.686 18.766 -2.486 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -1.866 17.090 -2.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -2.482 17.845 -1.303 1.00 0.00 H new ATOM 1296 N MET A 80 -0.539 11.053 1.146 1.00 0.00 N ATOM 1297 CA MET A 80 -0.689 10.030 2.221 1.00 0.00 C ATOM 1298 C MET A 80 0.130 10.452 3.444 1.00 0.00 C ATOM 1299 O MET A 80 1.281 10.828 3.335 1.00 0.00 O ATOM 1300 CB MET A 80 -0.192 8.678 1.695 1.00 0.00 C ATOM 1301 CG MET A 80 -0.688 7.537 2.592 1.00 0.00 C ATOM 1302 SD MET A 80 -0.895 6.043 1.589 1.00 0.00 S ATOM 1303 CE MET A 80 0.850 5.576 1.502 1.00 0.00 C ATOM 0 H MET A 80 0.394 11.120 0.738 1.00 0.00 H new ATOM 0 HA MET A 80 -1.736 9.943 2.510 1.00 0.00 H new ATOM 0 HB2 MET A 80 -0.545 8.526 0.675 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.897 8.673 1.660 1.00 0.00 H new ATOM 0 HG2 MET A 80 0.024 7.354 3.397 1.00 0.00 H new ATOM 0 HG3 MET A 80 -1.634 7.810 3.060 1.00 0.00 H new ATOM 0 HE1 MET A 80 0.973 4.760 0.790 1.00 0.00 H new ATOM 0 HE2 MET A 80 1.440 6.433 1.177 1.00 0.00 H new ATOM 0 HE3 MET A 80 1.190 5.254 2.486 1.00 0.00 H new ATOM 1313 N ALA A 81 -0.461 10.402 4.606 1.00 0.00 N ATOM 1314 CA ALA A 81 0.267 10.807 5.842 1.00 0.00 C ATOM 1315 C ALA A 81 1.347 9.775 6.182 1.00 0.00 C ATOM 1316 O ALA A 81 2.199 10.009 7.015 1.00 0.00 O ATOM 1317 CB ALA A 81 -0.723 10.907 7.003 1.00 0.00 C ATOM 0 H ALA A 81 -1.423 10.096 4.753 1.00 0.00 H new ATOM 0 HA ALA A 81 0.741 11.774 5.675 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -0.193 11.203 7.908 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -1.485 11.651 6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -1.198 9.939 7.161 1.00 0.00 H new ATOM 1323 N PHE A 82 1.312 8.630 5.556 1.00 0.00 N ATOM 1324 CA PHE A 82 2.333 7.587 5.863 1.00 0.00 C ATOM 1325 C PHE A 82 3.743 8.165 5.732 1.00 0.00 C ATOM 1326 O PHE A 82 4.602 7.912 6.553 1.00 0.00 O ATOM 1327 CB PHE A 82 2.185 6.417 4.891 1.00 0.00 C ATOM 1328 CG PHE A 82 3.221 5.369 5.219 1.00 0.00 C ATOM 1329 CD1 PHE A 82 3.018 4.500 6.298 1.00 0.00 C ATOM 1330 CD2 PHE A 82 4.392 5.272 4.453 1.00 0.00 C ATOM 1331 CE1 PHE A 82 3.981 3.533 6.609 1.00 0.00 C ATOM 1332 CE2 PHE A 82 5.353 4.305 4.765 1.00 0.00 C ATOM 1333 CZ PHE A 82 5.148 3.436 5.843 1.00 0.00 C ATOM 0 H PHE A 82 0.624 8.372 4.848 1.00 0.00 H new ATOM 0 HA PHE A 82 2.178 7.243 6.886 1.00 0.00 H new ATOM 0 HB2 PHE A 82 1.184 5.992 4.964 1.00 0.00 H new ATOM 0 HB3 PHE A 82 2.311 6.762 3.865 1.00 0.00 H new ATOM 0 HD1 PHE A 82 2.118 4.576 6.890 1.00 0.00 H new ATOM 0 HD2 PHE A 82 4.551 5.944 3.623 1.00 0.00 H new ATOM 0 HE1 PHE A 82 3.823 2.862 7.440 1.00 0.00 H new ATOM 0 HE2 PHE A 82 6.254 4.229 4.174 1.00 0.00 H new ATOM 0 HZ PHE A 82 5.891 2.690 6.084 1.00 0.00 H new ATOM 1343 N GLY A 83 3.998 8.923 4.704 1.00 0.00 N ATOM 1344 CA GLY A 83 5.364 9.490 4.531 1.00 0.00 C ATOM 1345 C GLY A 83 6.345 8.340 4.298 1.00 0.00 C ATOM 1346 O GLY A 83 6.104 7.219 4.698 1.00 0.00 O ATOM 0 H GLY A 83 3.325 9.174 3.980 1.00 0.00 H new ATOM 0 HA2 GLY A 83 5.383 10.180 3.687 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.652 10.059 5.415 1.00 0.00 H new ATOM 1350 N GLY A 84 7.446 8.599 3.653 1.00 0.00 N ATOM 1351 CA GLY A 84 8.427 7.506 3.395 1.00 0.00 C ATOM 1352 C GLY A 84 8.958 6.959 4.723 1.00 0.00 C ATOM 1353 O GLY A 84 8.858 7.594 5.754 1.00 0.00 O ATOM 0 H GLY A 84 7.710 9.516 3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 84 7.953 6.706 2.826 1.00 0.00 H new ATOM 0 HA3 GLY A 84 9.252 7.881 2.790 1.00 0.00 H new ATOM 1357 N LEU A 85 9.517 5.779 4.702 1.00 0.00 N ATOM 1358 CA LEU A 85 10.051 5.178 5.957 1.00 0.00 C ATOM 1359 C LEU A 85 11.521 5.546 6.144 1.00 0.00 C ATOM 1360 O LEU A 85 12.330 5.390 5.252 1.00 0.00 O ATOM 1361 CB LEU A 85 9.939 3.656 5.878 1.00 0.00 C ATOM 1362 CG LEU A 85 8.592 3.208 6.433 1.00 0.00 C ATOM 1363 CD1 LEU A 85 8.266 1.811 5.905 1.00 0.00 C ATOM 1364 CD2 LEU A 85 8.671 3.168 7.959 1.00 0.00 C ATOM 0 H LEU A 85 9.627 5.204 3.867 1.00 0.00 H new ATOM 0 HA LEU A 85 9.472 5.561 6.797 1.00 0.00 H new ATOM 0 HB2 LEU A 85 10.044 3.328 4.844 1.00 0.00 H new ATOM 0 HB3 LEU A 85 10.748 3.193 6.443 1.00 0.00 H new ATOM 0 HG LEU A 85 7.814 3.905 6.122 1.00 0.00 H new ATOM 0 HD11 LEU A 85 7.303 1.488 6.301 1.00 0.00 H new ATOM 0 HD12 LEU A 85 8.222 1.835 4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 85 9.041 1.113 6.221 1.00 0.00 H new ATOM 0 HD21 LEU A 85 7.711 2.848 8.365 1.00 0.00 H new ATOM 0 HD22 LEU A 85 9.446 2.466 8.265 1.00 0.00 H new ATOM 0 HD23 LEU A 85 8.912 4.162 8.337 1.00 0.00 H new ATOM 1376 N LYS A 86 11.879 6.012 7.310 1.00 0.00 N ATOM 1377 CA LYS A 86 13.303 6.359 7.561 1.00 0.00 C ATOM 1378 C LYS A 86 14.147 5.094 7.402 1.00 0.00 C ATOM 1379 O LYS A 86 15.265 5.133 6.930 1.00 0.00 O ATOM 1380 CB LYS A 86 13.457 6.907 8.982 1.00 0.00 C ATOM 1381 CG LYS A 86 12.682 8.219 9.110 1.00 0.00 C ATOM 1382 CD LYS A 86 12.928 8.825 10.493 1.00 0.00 C ATOM 1383 CE LYS A 86 12.061 10.074 10.665 1.00 0.00 C ATOM 1384 NZ LYS A 86 12.799 11.084 11.475 1.00 0.00 N ATOM 0 H LYS A 86 11.248 6.166 8.096 1.00 0.00 H new ATOM 0 HA LYS A 86 13.633 7.119 6.852 1.00 0.00 H new ATOM 0 HB2 LYS A 86 13.086 6.181 9.705 1.00 0.00 H new ATOM 0 HB3 LYS A 86 14.511 7.071 9.208 1.00 0.00 H new ATOM 0 HG2 LYS A 86 12.997 8.917 8.334 1.00 0.00 H new ATOM 0 HG3 LYS A 86 11.617 8.040 8.964 1.00 0.00 H new ATOM 0 HD2 LYS A 86 12.692 8.096 11.268 1.00 0.00 H new ATOM 0 HD3 LYS A 86 13.981 9.082 10.607 1.00 0.00 H new ATOM 0 HE2 LYS A 86 11.806 10.490 9.690 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.123 9.814 11.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.210 11.933 11.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.021 10.685 12.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.682 11.340 10.990 1.00 0.00 H new ATOM 1398 N LYS A 87 13.608 3.966 7.790 1.00 0.00 N ATOM 1399 CA LYS A 87 14.366 2.691 7.658 1.00 0.00 C ATOM 1400 C LYS A 87 13.866 1.933 6.425 1.00 0.00 C ATOM 1401 O LYS A 87 12.751 1.453 6.386 1.00 0.00 O ATOM 1402 CB LYS A 87 14.147 1.836 8.908 1.00 0.00 C ATOM 1403 CG LYS A 87 14.726 2.555 10.128 1.00 0.00 C ATOM 1404 CD LYS A 87 14.610 1.651 11.357 1.00 0.00 C ATOM 1405 CE LYS A 87 15.075 2.415 12.598 1.00 0.00 C ATOM 1406 NZ LYS A 87 14.101 3.500 12.908 1.00 0.00 N ATOM 0 H LYS A 87 12.675 3.876 8.192 1.00 0.00 H new ATOM 0 HA LYS A 87 15.429 2.906 7.549 1.00 0.00 H new ATOM 0 HB2 LYS A 87 13.083 1.651 9.053 1.00 0.00 H new ATOM 0 HB3 LYS A 87 14.625 0.864 8.785 1.00 0.00 H new ATOM 0 HG2 LYS A 87 15.770 2.812 9.950 1.00 0.00 H new ATOM 0 HG3 LYS A 87 14.192 3.490 10.299 1.00 0.00 H new ATOM 0 HD2 LYS A 87 13.578 1.323 11.484 1.00 0.00 H new ATOM 0 HD3 LYS A 87 15.215 0.755 11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 87 15.160 1.735 13.446 1.00 0.00 H new ATOM 0 HE3 LYS A 87 16.065 2.838 12.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 14.200 3.781 13.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 14.289 4.320 12.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 13.134 3.157 12.739 1.00 0.00 H new ATOM 1420 N GLU A 88 14.685 1.831 5.418 1.00 0.00 N ATOM 1421 CA GLU A 88 14.271 1.115 4.177 1.00 0.00 C ATOM 1422 C GLU A 88 14.083 -0.379 4.459 1.00 0.00 C ATOM 1423 O GLU A 88 13.257 -1.031 3.852 1.00 0.00 O ATOM 1424 CB GLU A 88 15.351 1.295 3.107 1.00 0.00 C ATOM 1425 CG GLU A 88 15.448 2.773 2.724 1.00 0.00 C ATOM 1426 CD GLU A 88 16.480 2.944 1.608 1.00 0.00 C ATOM 1427 OE1 GLU A 88 17.169 1.982 1.312 1.00 0.00 O ATOM 1428 OE2 GLU A 88 16.563 4.034 1.067 1.00 0.00 O ATOM 0 H GLU A 88 15.630 2.215 5.399 1.00 0.00 H new ATOM 0 HA GLU A 88 13.325 1.530 3.828 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.312 0.942 3.482 1.00 0.00 H new ATOM 0 HB3 GLU A 88 15.111 0.696 2.229 1.00 0.00 H new ATOM 0 HG2 GLU A 88 14.476 3.139 2.394 1.00 0.00 H new ATOM 0 HG3 GLU A 88 15.734 3.367 3.592 1.00 0.00 H new ATOM 1435 N LYS A 89 14.847 -0.934 5.361 1.00 0.00 N ATOM 1436 CA LYS A 89 14.709 -2.391 5.654 1.00 0.00 C ATOM 1437 C LYS A 89 13.266 -2.703 6.054 1.00 0.00 C ATOM 1438 O LYS A 89 12.660 -3.633 5.557 1.00 0.00 O ATOM 1439 CB LYS A 89 15.647 -2.771 6.800 1.00 0.00 C ATOM 1440 CG LYS A 89 15.604 -4.284 7.016 1.00 0.00 C ATOM 1441 CD LYS A 89 16.492 -4.657 8.206 1.00 0.00 C ATOM 1442 CE LYS A 89 16.569 -6.180 8.328 1.00 0.00 C ATOM 1443 NZ LYS A 89 16.875 -6.549 9.739 1.00 0.00 N ATOM 0 H LYS A 89 15.557 -0.445 5.906 1.00 0.00 H new ATOM 0 HA LYS A 89 14.969 -2.963 4.763 1.00 0.00 H new ATOM 0 HB2 LYS A 89 16.665 -2.455 6.571 1.00 0.00 H new ATOM 0 HB3 LYS A 89 15.351 -2.254 7.713 1.00 0.00 H new ATOM 0 HG2 LYS A 89 14.579 -4.607 7.199 1.00 0.00 H new ATOM 0 HG3 LYS A 89 15.945 -4.800 6.118 1.00 0.00 H new ATOM 0 HD2 LYS A 89 17.491 -4.241 8.072 1.00 0.00 H new ATOM 0 HD3 LYS A 89 16.088 -4.228 9.123 1.00 0.00 H new ATOM 0 HE2 LYS A 89 15.625 -6.629 8.020 1.00 0.00 H new ATOM 0 HE3 LYS A 89 17.339 -6.571 7.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 16.928 -7.584 9.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 17.786 -6.132 10.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 16.125 -6.189 10.363 1.00 0.00 H new ATOM 1457 N ASP A 90 12.706 -1.930 6.939 1.00 0.00 N ATOM 1458 CA ASP A 90 11.304 -2.177 7.360 1.00 0.00 C ATOM 1459 C ASP A 90 10.382 -2.006 6.153 1.00 0.00 C ATOM 1460 O ASP A 90 9.406 -2.712 5.993 1.00 0.00 O ATOM 1461 CB ASP A 90 10.919 -1.173 8.447 1.00 0.00 C ATOM 1462 CG ASP A 90 11.738 -1.448 9.709 1.00 0.00 C ATOM 1463 OD1 ASP A 90 12.355 -2.498 9.775 1.00 0.00 O ATOM 1464 OD2 ASP A 90 11.736 -0.603 10.589 1.00 0.00 O ATOM 0 H ASP A 90 13.161 -1.136 7.389 1.00 0.00 H new ATOM 0 HA ASP A 90 11.207 -3.189 7.752 1.00 0.00 H new ATOM 0 HB2 ASP A 90 11.099 -0.156 8.098 1.00 0.00 H new ATOM 0 HB3 ASP A 90 9.854 -1.250 8.668 1.00 0.00 H new ATOM 1469 N ARG A 91 10.687 -1.064 5.305 1.00 0.00 N ATOM 1470 CA ARG A 91 9.837 -0.825 4.105 1.00 0.00 C ATOM 1471 C ARG A 91 9.747 -2.097 3.261 1.00 0.00 C ATOM 1472 O ARG A 91 8.698 -2.441 2.755 1.00 0.00 O ATOM 1473 CB ARG A 91 10.458 0.296 3.270 1.00 0.00 C ATOM 1474 CG ARG A 91 9.539 0.634 2.096 1.00 0.00 C ATOM 1475 CD ARG A 91 10.216 1.681 1.208 1.00 0.00 C ATOM 1476 NE ARG A 91 10.459 2.920 2.000 1.00 0.00 N ATOM 1477 CZ ARG A 91 11.053 3.942 1.447 1.00 0.00 C ATOM 1478 NH1 ARG A 91 11.436 3.877 0.201 1.00 0.00 N ATOM 1479 NH2 ARG A 91 11.266 5.026 2.140 1.00 0.00 N ATOM 0 H ARG A 91 11.493 -0.446 5.392 1.00 0.00 H new ATOM 0 HA ARG A 91 8.834 -0.542 4.425 1.00 0.00 H new ATOM 0 HB2 ARG A 91 10.614 1.180 3.889 1.00 0.00 H new ATOM 0 HB3 ARG A 91 11.437 -0.011 2.901 1.00 0.00 H new ATOM 0 HG2 ARG A 91 9.323 -0.265 1.518 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.586 1.014 2.463 1.00 0.00 H new ATOM 0 HD2 ARG A 91 11.158 1.292 0.822 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.587 1.905 0.346 1.00 0.00 H new ATOM 0 HE ARG A 91 10.161 2.969 2.974 1.00 0.00 H new ATOM 0 HH11 ARG A 91 11.271 3.028 -0.340 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.900 4.675 -0.232 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.968 5.075 3.114 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.730 5.825 1.708 1.00 0.00 H new ATOM 1493 N ASN A 92 10.834 -2.796 3.096 1.00 0.00 N ATOM 1494 CA ASN A 92 10.799 -4.037 2.276 1.00 0.00 C ATOM 1495 C ASN A 92 9.809 -5.031 2.884 1.00 0.00 C ATOM 1496 O ASN A 92 8.998 -5.618 2.194 1.00 0.00 O ATOM 1497 CB ASN A 92 12.195 -4.658 2.248 1.00 0.00 C ATOM 1498 CG ASN A 92 13.159 -3.718 1.523 1.00 0.00 C ATOM 1499 OD1 ASN A 92 12.738 -2.831 0.807 1.00 0.00 O ATOM 1500 ND2 ASN A 92 14.446 -3.876 1.677 1.00 0.00 N ATOM 0 H ASN A 92 11.744 -2.562 3.493 1.00 0.00 H new ATOM 0 HA ASN A 92 10.483 -3.794 1.261 1.00 0.00 H new ATOM 0 HB2 ASN A 92 12.544 -4.840 3.265 1.00 0.00 H new ATOM 0 HB3 ASN A 92 12.165 -5.624 1.744 1.00 0.00 H new ATOM 0 HD21 ASN A 92 15.097 -3.255 1.196 1.00 0.00 H new ATOM 0 HD22 ASN A 92 14.800 -4.620 2.278 1.00 0.00 H new ATOM 1507 N ASP A 93 9.864 -5.220 4.170 1.00 0.00 N ATOM 1508 CA ASP A 93 8.925 -6.170 4.824 1.00 0.00 C ATOM 1509 C ASP A 93 7.492 -5.654 4.685 1.00 0.00 C ATOM 1510 O ASP A 93 6.559 -6.413 4.525 1.00 0.00 O ATOM 1511 CB ASP A 93 9.285 -6.296 6.305 1.00 0.00 C ATOM 1512 CG ASP A 93 10.652 -6.967 6.444 1.00 0.00 C ATOM 1513 OD1 ASP A 93 11.130 -7.502 5.457 1.00 0.00 O ATOM 1514 OD2 ASP A 93 11.198 -6.934 7.534 1.00 0.00 O ATOM 0 H ASP A 93 10.520 -4.757 4.799 1.00 0.00 H new ATOM 0 HA ASP A 93 9.002 -7.146 4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 93 9.303 -5.311 6.771 1.00 0.00 H new ATOM 0 HB3 ASP A 93 8.527 -6.881 6.826 1.00 0.00 H new ATOM 1519 N LEU A 94 7.314 -4.364 4.757 1.00 0.00 N ATOM 1520 CA LEU A 94 5.945 -3.787 4.643 1.00 0.00 C ATOM 1521 C LEU A 94 5.329 -4.164 3.298 1.00 0.00 C ATOM 1522 O LEU A 94 4.175 -4.536 3.213 1.00 0.00 O ATOM 1523 CB LEU A 94 6.042 -2.266 4.733 1.00 0.00 C ATOM 1524 CG LEU A 94 4.642 -1.668 4.881 1.00 0.00 C ATOM 1525 CD1 LEU A 94 4.035 -2.106 6.216 1.00 0.00 C ATOM 1526 CD2 LEU A 94 4.737 -0.143 4.847 1.00 0.00 C ATOM 0 H LEU A 94 8.061 -3.682 4.890 1.00 0.00 H new ATOM 0 HA LEU A 94 5.321 -4.177 5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.661 -1.981 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 94 6.525 -1.869 3.840 1.00 0.00 H new ATOM 0 HG LEU A 94 4.011 -2.016 4.063 1.00 0.00 H new ATOM 0 HD11 LEU A 94 3.038 -1.679 6.320 1.00 0.00 H new ATOM 0 HD12 LEU A 94 3.969 -3.194 6.246 1.00 0.00 H new ATOM 0 HD13 LEU A 94 4.666 -1.758 7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.741 0.286 4.952 1.00 0.00 H new ATOM 0 HD22 LEU A 94 5.368 0.201 5.666 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.170 0.174 3.898 1.00 0.00 H new ATOM 1538 N ILE A 95 6.088 -4.066 2.246 1.00 0.00 N ATOM 1539 CA ILE A 95 5.549 -4.411 0.905 1.00 0.00 C ATOM 1540 C ILE A 95 5.035 -5.850 0.914 1.00 0.00 C ATOM 1541 O ILE A 95 3.969 -6.144 0.407 1.00 0.00 O ATOM 1542 CB ILE A 95 6.660 -4.267 -0.134 1.00 0.00 C ATOM 1543 CG1 ILE A 95 7.156 -2.820 -0.154 1.00 0.00 C ATOM 1544 CG2 ILE A 95 6.112 -4.633 -1.507 1.00 0.00 C ATOM 1545 CD1 ILE A 95 8.369 -2.708 -1.079 1.00 0.00 C ATOM 0 H ILE A 95 7.061 -3.761 2.257 1.00 0.00 H new ATOM 0 HA ILE A 95 4.727 -3.740 0.656 1.00 0.00 H new ATOM 0 HB ILE A 95 7.487 -4.930 0.120 1.00 0.00 H new ATOM 0 HG12 ILE A 95 6.362 -2.157 -0.497 1.00 0.00 H new ATOM 0 HG13 ILE A 95 7.424 -2.502 0.854 1.00 0.00 H new ATOM 0 HG21 ILE A 95 6.901 -4.532 -2.252 1.00 0.00 H new ATOM 0 HG22 ILE A 95 5.755 -5.663 -1.494 1.00 0.00 H new ATOM 0 HG23 ILE A 95 5.287 -3.966 -1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 95 8.722 -1.677 -1.093 1.00 0.00 H new ATOM 0 HD12 ILE A 95 9.164 -3.359 -0.716 1.00 0.00 H new ATOM 0 HD13 ILE A 95 8.086 -3.008 -2.088 1.00 0.00 H new ATOM 1557 N THR A 96 5.779 -6.751 1.488 1.00 0.00 N ATOM 1558 CA THR A 96 5.323 -8.169 1.529 1.00 0.00 C ATOM 1559 C THR A 96 3.968 -8.237 2.238 1.00 0.00 C ATOM 1560 O THR A 96 3.078 -8.963 1.839 1.00 0.00 O ATOM 1561 CB THR A 96 6.346 -9.009 2.298 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.645 -8.749 1.787 1.00 0.00 O ATOM 1563 CG2 THR A 96 6.021 -10.493 2.130 1.00 0.00 C ATOM 0 H THR A 96 6.680 -6.570 1.930 1.00 0.00 H new ATOM 0 HA THR A 96 5.227 -8.557 0.515 1.00 0.00 H new ATOM 0 HB THR A 96 6.309 -8.749 3.356 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.317 -9.115 2.400 1.00 0.00 H new ATOM 0 HG21 THR A 96 6.750 -11.090 2.678 1.00 0.00 H new ATOM 0 HG22 THR A 96 5.023 -10.693 2.519 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.058 -10.756 1.073 1.00 0.00 H new ATOM 1571 N TYR A 97 3.806 -7.478 3.288 1.00 0.00 N ATOM 1572 CA TYR A 97 2.514 -7.487 4.031 1.00 0.00 C ATOM 1573 C TYR A 97 1.379 -7.044 3.103 1.00 0.00 C ATOM 1574 O TYR A 97 0.286 -7.571 3.152 1.00 0.00 O ATOM 1575 CB TYR A 97 2.607 -6.529 5.220 1.00 0.00 C ATOM 1576 CG TYR A 97 1.317 -6.568 6.003 1.00 0.00 C ATOM 1577 CD1 TYR A 97 1.140 -7.520 7.013 1.00 0.00 C ATOM 1578 CD2 TYR A 97 0.299 -5.651 5.718 1.00 0.00 C ATOM 1579 CE1 TYR A 97 -0.058 -7.557 7.738 1.00 0.00 C ATOM 1580 CE2 TYR A 97 -0.898 -5.687 6.444 1.00 0.00 C ATOM 1581 CZ TYR A 97 -1.076 -6.639 7.454 1.00 0.00 C ATOM 1582 OH TYR A 97 -2.256 -6.674 8.168 1.00 0.00 O ATOM 0 H TYR A 97 4.516 -6.850 3.664 1.00 0.00 H new ATOM 0 HA TYR A 97 2.310 -8.496 4.389 1.00 0.00 H new ATOM 0 HB2 TYR A 97 3.442 -6.809 5.862 1.00 0.00 H new ATOM 0 HB3 TYR A 97 2.801 -5.515 4.869 1.00 0.00 H new ATOM 0 HD1 TYR A 97 1.927 -8.226 7.234 1.00 0.00 H new ATOM 0 HD2 TYR A 97 0.436 -4.916 4.939 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -0.196 -8.293 8.516 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -1.684 -4.980 6.224 1.00 0.00 H new ATOM 0 HH TYR A 97 -2.855 -5.968 7.845 1.00 0.00 H new ATOM 1592 N LEU A 98 1.624 -6.077 2.258 1.00 0.00 N ATOM 1593 CA LEU A 98 0.551 -5.606 1.336 1.00 0.00 C ATOM 1594 C LEU A 98 0.017 -6.791 0.535 1.00 0.00 C ATOM 1595 O LEU A 98 -1.175 -6.936 0.341 1.00 0.00 O ATOM 1596 CB LEU A 98 1.119 -4.557 0.369 1.00 0.00 C ATOM 1597 CG LEU A 98 0.910 -3.131 0.905 1.00 0.00 C ATOM 1598 CD1 LEU A 98 -0.515 -2.665 0.599 1.00 0.00 C ATOM 1599 CD2 LEU A 98 1.150 -3.077 2.418 1.00 0.00 C ATOM 0 H LEU A 98 2.518 -5.595 2.167 1.00 0.00 H new ATOM 0 HA LEU A 98 -0.255 -5.161 1.920 1.00 0.00 H new ATOM 0 HB2 LEU A 98 2.183 -4.738 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 98 0.636 -4.657 -0.603 1.00 0.00 H new ATOM 0 HG LEU A 98 1.626 -2.472 0.413 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -0.657 -1.654 0.981 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -0.676 -2.671 -0.479 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -1.228 -3.337 1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 98 0.996 -2.059 2.775 1.00 0.00 H new ATOM 0 HD22 LEU A 98 0.453 -3.747 2.921 1.00 0.00 H new ATOM 0 HD23 LEU A 98 2.172 -3.387 2.636 1.00 0.00 H new ATOM 1611 N LYS A 99 0.884 -7.645 0.074 1.00 0.00 N ATOM 1612 CA LYS A 99 0.414 -8.821 -0.708 1.00 0.00 C ATOM 1613 C LYS A 99 -0.549 -9.638 0.154 1.00 0.00 C ATOM 1614 O LYS A 99 -1.553 -10.133 -0.316 1.00 0.00 O ATOM 1615 CB LYS A 99 1.610 -9.690 -1.101 1.00 0.00 C ATOM 1616 CG LYS A 99 1.136 -10.835 -1.997 1.00 0.00 C ATOM 1617 CD LYS A 99 2.340 -11.657 -2.461 1.00 0.00 C ATOM 1618 CE LYS A 99 2.961 -12.378 -1.262 1.00 0.00 C ATOM 1619 NZ LYS A 99 3.745 -13.552 -1.741 1.00 0.00 N ATOM 0 H LYS A 99 1.894 -7.581 0.203 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.094 -8.482 -1.611 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.354 -9.089 -1.624 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.093 -10.088 -0.208 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.437 -11.470 -1.453 1.00 0.00 H new ATOM 0 HG3 LYS A 99 0.600 -10.438 -2.859 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.030 -12.382 -3.214 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.078 -11.007 -2.930 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.607 -11.697 -0.709 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.180 -12.704 -0.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.167 -14.043 -0.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.116 -14.205 -2.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.499 -13.229 -2.380 1.00 0.00 H new ATOM 1633 N LYS A 100 -0.249 -9.780 1.417 1.00 0.00 N ATOM 1634 CA LYS A 100 -1.145 -10.562 2.313 1.00 0.00 C ATOM 1635 C LYS A 100 -2.528 -9.910 2.361 1.00 0.00 C ATOM 1636 O LYS A 100 -3.538 -10.582 2.444 1.00 0.00 O ATOM 1637 CB LYS A 100 -0.552 -10.609 3.722 1.00 0.00 C ATOM 1638 CG LYS A 100 -1.400 -11.534 4.598 1.00 0.00 C ATOM 1639 CD LYS A 100 -0.749 -11.676 5.975 1.00 0.00 C ATOM 1640 CE LYS A 100 -0.811 -10.336 6.710 1.00 0.00 C ATOM 1641 NZ LYS A 100 -0.678 -10.567 8.176 1.00 0.00 N ATOM 0 H LYS A 100 0.579 -9.388 1.866 1.00 0.00 H new ATOM 0 HA LYS A 100 -1.239 -11.577 1.926 1.00 0.00 H new ATOM 0 HB2 LYS A 100 0.477 -10.968 3.684 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -0.525 -9.607 4.151 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.408 -11.131 4.701 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -1.494 -12.512 4.127 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.262 -12.444 6.554 1.00 0.00 H new ATOM 0 HD3 LYS A 100 0.287 -11.996 5.868 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -0.014 -9.680 6.361 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.754 -9.834 6.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.317 -9.925 8.688 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -0.928 -11.552 8.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.303 -10.385 8.469 1.00 0.00 H new ATOM 1655 N ALA A 101 -2.589 -8.605 2.316 1.00 0.00 N ATOM 1656 CA ALA A 101 -3.911 -7.924 2.367 1.00 0.00 C ATOM 1657 C ALA A 101 -4.755 -8.361 1.169 1.00 0.00 C ATOM 1658 O ALA A 101 -5.959 -8.498 1.263 1.00 0.00 O ATOM 1659 CB ALA A 101 -3.708 -6.408 2.324 1.00 0.00 C ATOM 0 H ALA A 101 -1.782 -7.985 2.246 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.423 -8.194 3.290 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -4.677 -5.910 2.361 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -3.107 -6.097 3.178 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -3.195 -6.136 1.401 1.00 0.00 H new ATOM 1665 N THR A 102 -4.133 -8.586 0.044 1.00 0.00 N ATOM 1666 CA THR A 102 -4.900 -9.018 -1.159 1.00 0.00 C ATOM 1667 C THR A 102 -4.675 -10.513 -1.399 1.00 0.00 C ATOM 1668 O THR A 102 -5.180 -11.082 -2.346 1.00 0.00 O ATOM 1669 CB THR A 102 -4.422 -8.225 -2.377 1.00 0.00 C ATOM 1670 OG1 THR A 102 -5.470 -8.156 -3.333 1.00 0.00 O ATOM 1671 CG2 THR A 102 -3.207 -8.917 -2.997 1.00 0.00 C ATOM 0 H THR A 102 -3.127 -8.489 -0.094 1.00 0.00 H new ATOM 0 HA THR A 102 -5.963 -8.834 -1.000 1.00 0.00 H new ATOM 0 HB THR A 102 -4.142 -7.218 -2.069 1.00 0.00 H new ATOM 0 HG1 THR A 102 -5.599 -7.225 -3.610 1.00 0.00 H new ATOM 0 HG21 THR A 102 -2.869 -8.350 -3.864 1.00 0.00 H new ATOM 0 HG22 THR A 102 -2.404 -8.970 -2.262 1.00 0.00 H new ATOM 0 HG23 THR A 102 -3.481 -9.925 -3.307 1.00 0.00 H new ATOM 1679 N GLU A 103 -3.916 -11.152 -0.551 1.00 0.00 N ATOM 1680 CA GLU A 103 -3.659 -12.608 -0.732 1.00 0.00 C ATOM 1681 C GLU A 103 -3.381 -12.897 -2.209 1.00 0.00 C ATOM 1682 O GLU A 103 -2.386 -13.501 -2.555 1.00 0.00 O ATOM 1683 CB GLU A 103 -4.885 -13.404 -0.279 1.00 0.00 C ATOM 1684 CG GLU A 103 -4.572 -14.900 -0.332 1.00 0.00 C ATOM 1685 CD GLU A 103 -5.827 -15.698 0.023 1.00 0.00 C ATOM 1686 OE1 GLU A 103 -6.852 -15.079 0.262 1.00 0.00 O ATOM 1687 OE2 GLU A 103 -5.745 -16.915 0.051 1.00 0.00 O ATOM 0 H GLU A 103 -3.463 -10.728 0.259 1.00 0.00 H new ATOM 0 HA GLU A 103 -2.795 -12.901 -0.135 1.00 0.00 H new ATOM 0 HB2 GLU A 103 -5.164 -13.116 0.735 1.00 0.00 H new ATOM 0 HB3 GLU A 103 -5.736 -13.177 -0.921 1.00 0.00 H new ATOM 0 HG2 GLU A 103 -4.224 -15.174 -1.328 1.00 0.00 H new ATOM 0 HG3 GLU A 103 -3.768 -15.139 0.364 1.00 0.00 H new