USER MOD reduce.3.24.130724 H: found=0, std=0, add=673, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 674 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 Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-7.3!) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= -1.11 K(o=-1.1,f=-8.7!) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -3.76! C(o=-3.8!,f=-4.6!) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -0.654 K(o=-0.65,f=-1.7!) USER MOD Single : A 46 CYS SG : rot 66:sc= 0.833 USER MOD Single : A 47 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.38) USER MOD Single : A 48 THR OG1 : rot 98:sc= 0.841 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.00957) USER MOD Single : A 60 GLN : amide:sc= -1.6! C(o=-1.6!,f=-4.7!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot -150:sc= -0.499 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.103 USER MOD Single : A 75 GLN : amide:sc= -0.036 K(o=-0.036,f=-1.4) USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 TYR OH : rot -121:sc= -0.588 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ -153:sc= -0.0666 (180deg=-0.45) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -11.010 17.432 -9.020 1.00 0.00 N ATOM 67 CA LEU A 8 -10.088 16.317 -8.835 1.00 0.00 C ATOM 68 C LEU A 8 -10.035 15.891 -7.372 1.00 0.00 C ATOM 69 O LEU A 8 -10.454 14.789 -7.020 1.00 0.00 O ATOM 70 CB LEU A 8 -8.688 16.701 -9.318 1.00 0.00 C ATOM 71 CG LEU A 8 -7.726 15.541 -9.577 1.00 0.00 C ATOM 72 CD1 LEU A 8 -7.493 14.746 -8.302 1.00 0.00 C ATOM 73 CD2 LEU A 8 -8.261 14.640 -10.680 1.00 0.00 C ATOM 0 HA LEU A 8 -10.451 15.476 -9.426 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -8.788 17.276 -10.238 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -8.238 17.361 -8.577 1.00 0.00 H new ATOM 0 HG LEU A 8 -6.771 15.952 -9.904 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -6.806 13.925 -8.506 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -7.064 15.397 -7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -8.442 14.345 -7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -7.563 13.820 -10.851 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -9.229 14.237 -10.383 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -8.374 15.217 -11.598 1.00 0.00 H new ATOM 85 N ALA A 9 -9.517 16.773 -6.523 1.00 0.00 N ATOM 86 CA ALA A 9 -9.413 16.491 -5.097 1.00 0.00 C ATOM 87 C ALA A 9 -10.613 15.688 -4.607 1.00 0.00 C ATOM 88 O ALA A 9 -10.460 14.590 -4.072 1.00 0.00 O ATOM 89 CB ALA A 9 -9.286 17.787 -4.310 1.00 0.00 C ATOM 0 H ALA A 9 -9.163 17.689 -6.799 1.00 0.00 H new ATOM 0 HA ALA A 9 -8.517 15.891 -4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -9.209 17.561 -3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -8.393 18.323 -4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -10.165 18.407 -4.486 1.00 0.00 H new ATOM 95 N GLU A 10 -11.807 16.242 -4.793 1.00 0.00 N ATOM 96 CA GLU A 10 -13.032 15.577 -4.368 1.00 0.00 C ATOM 97 C GLU A 10 -12.924 14.066 -4.554 1.00 0.00 C ATOM 98 O GLU A 10 -13.252 13.293 -3.653 1.00 0.00 O ATOM 99 CB GLU A 10 -14.230 16.114 -5.155 1.00 0.00 C ATOM 100 CG GLU A 10 -14.039 16.066 -6.662 1.00 0.00 C ATOM 101 CD GLU A 10 -15.232 16.616 -7.419 1.00 0.00 C ATOM 102 OE1 GLU A 10 -15.586 17.792 -7.192 1.00 0.00 O ATOM 103 OE2 GLU A 10 -15.811 15.872 -8.237 1.00 0.00 O ATOM 0 H GLU A 10 -11.951 17.150 -5.235 1.00 0.00 H new ATOM 0 HA GLU A 10 -13.179 15.786 -3.308 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -15.116 15.536 -4.891 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -14.420 17.144 -4.854 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -13.149 16.636 -6.930 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -13.862 15.035 -6.969 1.00 0.00 H new ATOM 110 N LEU A 11 -12.461 13.652 -5.729 1.00 0.00 N ATOM 111 CA LEU A 11 -12.309 12.234 -6.035 1.00 0.00 C ATOM 112 C LEU A 11 -11.239 11.599 -5.154 1.00 0.00 C ATOM 113 O LEU A 11 -11.480 10.583 -4.500 1.00 0.00 O ATOM 114 CB LEU A 11 -11.950 12.046 -7.510 1.00 0.00 C ATOM 115 CG LEU A 11 -13.128 11.892 -8.473 1.00 0.00 C ATOM 116 CD1 LEU A 11 -14.056 10.781 -8.008 1.00 0.00 C ATOM 117 CD2 LEU A 11 -13.887 13.205 -8.602 1.00 0.00 C ATOM 0 H LEU A 11 -12.185 14.278 -6.485 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.259 11.740 -5.833 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.354 12.901 -7.830 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.316 11.164 -7.599 1.00 0.00 H new ATOM 0 HG LEU A 11 -12.737 11.624 -9.455 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -14.888 10.686 -8.706 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.506 9.840 -7.969 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.440 11.019 -7.016 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.722 13.077 -9.291 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -14.266 13.504 -7.625 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.218 13.976 -8.983 1.00 0.00 H new ATOM 129 N PHE A 12 -10.056 12.204 -5.139 1.00 0.00 N ATOM 130 CA PHE A 12 -8.948 11.699 -4.337 1.00 0.00 C ATOM 131 C PHE A 12 -9.441 11.200 -2.982 1.00 0.00 C ATOM 132 O PHE A 12 -8.953 10.196 -2.464 1.00 0.00 O ATOM 133 CB PHE A 12 -7.894 12.790 -4.139 1.00 0.00 C ATOM 134 CG PHE A 12 -6.807 12.406 -3.176 1.00 0.00 C ATOM 135 CD1 PHE A 12 -5.712 11.672 -3.603 1.00 0.00 C ATOM 136 CD2 PHE A 12 -6.880 12.779 -1.844 1.00 0.00 C ATOM 137 CE1 PHE A 12 -4.710 11.317 -2.720 1.00 0.00 C ATOM 138 CE2 PHE A 12 -5.881 12.428 -0.956 1.00 0.00 C ATOM 139 CZ PHE A 12 -4.795 11.695 -1.394 1.00 0.00 C ATOM 0 H PHE A 12 -9.840 13.045 -5.674 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.498 10.862 -4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -7.446 13.030 -5.103 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -8.383 13.696 -3.780 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -5.641 11.374 -4.639 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -7.727 13.351 -1.495 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -3.862 10.745 -3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -5.949 12.727 0.080 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.014 11.418 -0.701 1.00 0.00 H new ATOM 149 N GLU A 13 -10.411 11.910 -2.414 1.00 0.00 N ATOM 150 CA GLU A 13 -10.968 11.540 -1.118 1.00 0.00 C ATOM 151 C GLU A 13 -11.827 10.284 -1.234 1.00 0.00 C ATOM 152 O GLU A 13 -11.586 9.287 -0.552 1.00 0.00 O ATOM 153 CB GLU A 13 -11.802 12.690 -0.550 1.00 0.00 C ATOM 154 CG GLU A 13 -11.001 13.957 -0.299 1.00 0.00 C ATOM 155 CD GLU A 13 -10.183 13.887 0.976 1.00 0.00 C ATOM 156 OE1 GLU A 13 -10.544 13.093 1.869 1.00 0.00 O ATOM 157 OE2 GLU A 13 -9.182 14.626 1.080 1.00 0.00 O ATOM 0 H GLU A 13 -10.827 12.743 -2.830 1.00 0.00 H new ATOM 0 HA GLU A 13 -10.140 11.332 -0.441 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.614 12.915 -1.241 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.260 12.368 0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -10.336 14.135 -1.144 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -11.681 14.807 -0.244 1.00 0.00 H new ATOM 164 N LYS A 14 -12.832 10.339 -2.102 1.00 0.00 N ATOM 165 CA LYS A 14 -13.728 9.208 -2.310 1.00 0.00 C ATOM 166 C LYS A 14 -12.939 7.940 -2.625 1.00 0.00 C ATOM 167 O LYS A 14 -13.101 6.917 -1.961 1.00 0.00 O ATOM 168 CB LYS A 14 -14.707 9.508 -3.447 1.00 0.00 C ATOM 169 CG LYS A 14 -15.925 10.302 -3.007 1.00 0.00 C ATOM 170 CD LYS A 14 -16.652 10.911 -4.194 1.00 0.00 C ATOM 171 CE LYS A 14 -16.115 12.295 -4.526 1.00 0.00 C ATOM 172 NZ LYS A 14 -17.161 13.165 -5.131 1.00 0.00 N ATOM 0 H LYS A 14 -13.046 11.156 -2.673 1.00 0.00 H new ATOM 0 HA LYS A 14 -14.289 9.047 -1.389 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.185 10.062 -4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -15.037 8.568 -3.889 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -16.605 9.652 -2.457 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.617 11.093 -2.323 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -16.544 10.260 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -17.718 10.976 -3.975 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -15.733 12.764 -3.619 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -15.276 12.203 -5.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.756 14.099 -5.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -17.508 12.731 -6.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -17.951 13.274 -4.463 1.00 0.00 H new ATOM 186 N ALA A 15 -12.086 8.017 -3.640 1.00 0.00 N ATOM 187 CA ALA A 15 -11.270 6.878 -4.041 1.00 0.00 C ATOM 188 C ALA A 15 -10.617 6.218 -2.831 1.00 0.00 C ATOM 189 O ALA A 15 -10.646 4.996 -2.688 1.00 0.00 O ATOM 190 CB ALA A 15 -10.210 7.313 -5.042 1.00 0.00 C ATOM 0 H ALA A 15 -11.942 8.857 -4.200 1.00 0.00 H new ATOM 0 HA ALA A 15 -11.923 6.145 -4.515 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -9.608 6.452 -5.332 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -10.693 7.732 -5.925 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -9.568 8.067 -4.587 1.00 0.00 H new ATOM 196 N ALA A 16 -10.029 7.034 -1.963 1.00 0.00 N ATOM 197 CA ALA A 16 -9.371 6.529 -0.764 1.00 0.00 C ATOM 198 C ALA A 16 -10.246 5.507 -0.046 1.00 0.00 C ATOM 199 O ALA A 16 -9.782 4.428 0.322 1.00 0.00 O ATOM 200 CB ALA A 16 -9.023 7.678 0.171 1.00 0.00 C ATOM 0 H ALA A 16 -9.995 8.048 -2.067 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.451 6.031 -1.068 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.532 7.286 1.062 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.352 8.371 -0.338 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.935 8.201 0.459 1.00 0.00 H new ATOM 206 N ALA A 17 -11.514 5.854 0.150 1.00 0.00 N ATOM 207 CA ALA A 17 -12.453 4.966 0.822 1.00 0.00 C ATOM 208 C ALA A 17 -12.629 3.664 0.048 1.00 0.00 C ATOM 209 O ALA A 17 -12.904 2.615 0.631 1.00 0.00 O ATOM 210 CB ALA A 17 -13.795 5.659 1.006 1.00 0.00 C ATOM 0 H ALA A 17 -11.914 6.744 -0.147 1.00 0.00 H new ATOM 0 HA ALA A 17 -12.045 4.722 1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -14.487 4.984 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -13.661 6.557 1.609 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -14.200 5.933 0.032 1.00 0.00 H new ATOM 216 N HIS A 18 -12.470 3.739 -1.270 1.00 0.00 N ATOM 217 CA HIS A 18 -12.612 2.566 -2.125 1.00 0.00 C ATOM 218 C HIS A 18 -11.400 1.649 -1.995 1.00 0.00 C ATOM 219 O HIS A 18 -11.510 0.432 -2.145 1.00 0.00 O ATOM 220 CB HIS A 18 -12.792 2.990 -3.583 1.00 0.00 C ATOM 221 CG HIS A 18 -13.593 2.020 -4.395 1.00 0.00 C ATOM 222 ND1 HIS A 18 -14.681 1.337 -3.894 1.00 0.00 N ATOM 223 CD2 HIS A 18 -13.460 1.620 -5.681 1.00 0.00 C ATOM 224 CE1 HIS A 18 -15.182 0.558 -4.836 1.00 0.00 C ATOM 225 NE2 HIS A 18 -14.459 0.712 -5.931 1.00 0.00 N ATOM 0 H HIS A 18 -12.243 4.599 -1.769 1.00 0.00 H new ATOM 0 HA HIS A 18 -13.497 2.017 -1.803 1.00 0.00 H new ATOM 0 HB2 HIS A 18 -13.280 3.964 -3.612 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -11.810 3.111 -4.041 1.00 0.00 H new ATOM 0 HD2 HIS A 18 -12.708 1.953 -6.381 1.00 0.00 H new ATOM 0 HE1 HIS A 18 -16.037 -0.094 -4.729 1.00 0.00 H new ATOM 0 HE2 HIS A 18 -14.617 0.234 -6.818 1.00 0.00 H new ATOM 234 N LEU A 19 -10.244 2.242 -1.717 1.00 0.00 N ATOM 235 CA LEU A 19 -9.009 1.478 -1.568 1.00 0.00 C ATOM 236 C LEU A 19 -9.229 0.256 -0.681 1.00 0.00 C ATOM 237 O LEU A 19 -8.898 -0.866 -1.063 1.00 0.00 O ATOM 238 CB LEU A 19 -7.909 2.361 -0.975 1.00 0.00 C ATOM 239 CG LEU A 19 -6.477 2.009 -1.378 1.00 0.00 C ATOM 240 CD1 LEU A 19 -5.485 2.931 -0.685 1.00 0.00 C ATOM 241 CD2 LEU A 19 -6.173 0.554 -1.050 1.00 0.00 C ATOM 0 H LEU A 19 -10.136 3.248 -1.590 1.00 0.00 H new ATOM 0 HA LEU A 19 -8.700 1.137 -2.556 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.104 3.394 -1.265 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.981 2.316 0.112 1.00 0.00 H new ATOM 0 HG LEU A 19 -6.379 2.147 -2.455 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -4.471 2.665 -0.984 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -5.688 3.964 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -5.584 2.826 0.395 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.149 0.321 -1.344 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -6.289 0.391 0.021 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.862 -0.093 -1.593 1.00 0.00 H new ATOM 253 N GLN A 20 -9.790 0.483 0.502 1.00 0.00 N ATOM 254 CA GLN A 20 -10.055 -0.600 1.441 1.00 0.00 C ATOM 255 C GLN A 20 -10.956 -1.658 0.812 1.00 0.00 C ATOM 256 O GLN A 20 -10.959 -2.814 1.232 1.00 0.00 O ATOM 257 CB GLN A 20 -10.702 -0.053 2.714 1.00 0.00 C ATOM 258 CG GLN A 20 -9.874 1.017 3.406 1.00 0.00 C ATOM 259 CD GLN A 20 -8.900 0.440 4.415 1.00 0.00 C ATOM 260 OE1 GLN A 20 -9.287 -0.317 5.305 1.00 0.00 O ATOM 261 NE2 GLN A 20 -7.628 0.796 4.281 1.00 0.00 N ATOM 0 H GLN A 20 -10.070 1.406 0.833 1.00 0.00 H new ATOM 0 HA GLN A 20 -9.103 -1.066 1.697 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -11.680 0.360 2.466 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -10.870 -0.876 3.409 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.322 1.585 2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -10.540 1.718 3.909 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -7.351 1.426 3.528 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -6.927 0.439 4.931 1.00 0.00 H new ATOM 270 N GLY A 21 -11.721 -1.252 -0.197 1.00 0.00 N ATOM 271 CA GLY A 21 -12.617 -2.177 -0.867 1.00 0.00 C ATOM 272 C GLY A 21 -11.961 -2.868 -2.046 1.00 0.00 C ATOM 273 O GLY A 21 -12.510 -3.821 -2.601 1.00 0.00 O ATOM 0 H GLY A 21 -11.736 -0.300 -0.562 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -12.959 -2.927 -0.154 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -13.500 -1.638 -1.211 1.00 0.00 H new ATOM 277 N LEU A 22 -10.784 -2.387 -2.432 1.00 0.00 N ATOM 278 CA LEU A 22 -10.053 -2.963 -3.555 1.00 0.00 C ATOM 279 C LEU A 22 -8.774 -3.644 -3.079 1.00 0.00 C ATOM 280 O LEU A 22 -7.857 -3.883 -3.866 1.00 0.00 O ATOM 281 CB LEU A 22 -9.717 -1.879 -4.580 1.00 0.00 C ATOM 282 CG LEU A 22 -10.875 -0.976 -5.007 1.00 0.00 C ATOM 283 CD1 LEU A 22 -10.387 0.100 -5.964 1.00 0.00 C ATOM 284 CD2 LEU A 22 -11.984 -1.799 -5.647 1.00 0.00 C ATOM 0 H LEU A 22 -10.316 -1.600 -1.984 1.00 0.00 H new ATOM 0 HA LEU A 22 -10.689 -3.713 -4.025 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -8.926 -1.252 -4.169 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -9.312 -2.361 -5.470 1.00 0.00 H new ATOM 0 HG LEU A 22 -11.278 -0.488 -4.119 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -11.224 0.733 -6.257 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.628 0.708 -5.472 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.959 -0.368 -6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -12.800 -1.141 -5.945 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.594 -2.314 -6.525 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -12.353 -2.532 -4.930 1.00 0.00 H new ATOM 296 N ILE A 23 -8.720 -3.955 -1.789 1.00 0.00 N ATOM 297 CA ILE A 23 -7.554 -4.611 -1.210 1.00 0.00 C ATOM 298 C ILE A 23 -7.405 -6.034 -1.739 1.00 0.00 C ATOM 299 O ILE A 23 -6.291 -6.528 -1.910 1.00 0.00 O ATOM 300 CB ILE A 23 -7.638 -4.654 0.328 1.00 0.00 C ATOM 301 CG1 ILE A 23 -7.863 -3.248 0.887 1.00 0.00 C ATOM 302 CG2 ILE A 23 -6.372 -5.265 0.910 1.00 0.00 C ATOM 303 CD1 ILE A 23 -6.717 -2.299 0.616 1.00 0.00 C ATOM 0 H ILE A 23 -9.470 -3.763 -1.125 1.00 0.00 H new ATOM 0 HA ILE A 23 -6.684 -4.024 -1.502 1.00 0.00 H new ATOM 0 HB ILE A 23 -8.484 -5.278 0.614 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -8.775 -2.836 0.455 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.022 -3.315 1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -6.446 -5.289 1.997 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -6.251 -6.280 0.532 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.511 -4.664 0.618 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -6.946 -1.322 1.041 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -5.807 -2.689 1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -6.572 -2.202 -0.460 1.00 0.00 H new ATOM 315 N GLN A 24 -8.534 -6.684 -1.999 1.00 0.00 N ATOM 316 CA GLN A 24 -8.529 -8.050 -2.510 1.00 0.00 C ATOM 317 C GLN A 24 -8.092 -8.082 -3.971 1.00 0.00 C ATOM 318 O GLN A 24 -7.715 -9.131 -4.495 1.00 0.00 O ATOM 319 CB GLN A 24 -9.917 -8.676 -2.367 1.00 0.00 C ATOM 320 CG GLN A 24 -10.516 -8.515 -0.980 1.00 0.00 C ATOM 321 CD GLN A 24 -11.957 -8.983 -0.909 1.00 0.00 C ATOM 322 OE1 GLN A 24 -12.245 -10.068 -0.403 1.00 0.00 O ATOM 323 NE2 GLN A 24 -12.871 -8.164 -1.416 1.00 0.00 N ATOM 0 H GLN A 24 -9.464 -6.287 -1.864 1.00 0.00 H new ATOM 0 HA GLN A 24 -7.816 -8.628 -1.923 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -10.587 -8.224 -3.098 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -9.854 -9.738 -2.606 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -9.919 -9.079 -0.263 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -10.463 -7.467 -0.685 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -12.587 -7.274 -1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -13.857 -8.425 -1.396 1.00 0.00 H new ATOM 332 N VAL A 25 -8.144 -6.926 -4.625 1.00 0.00 N ATOM 333 CA VAL A 25 -7.753 -6.821 -6.026 1.00 0.00 C ATOM 334 C VAL A 25 -6.449 -6.045 -6.176 1.00 0.00 C ATOM 335 O VAL A 25 -5.809 -6.084 -7.226 1.00 0.00 O ATOM 336 CB VAL A 25 -8.846 -6.132 -6.864 1.00 0.00 C ATOM 337 CG1 VAL A 25 -10.150 -6.912 -6.785 1.00 0.00 C ATOM 338 CG2 VAL A 25 -9.045 -4.696 -6.403 1.00 0.00 C ATOM 0 H VAL A 25 -8.453 -6.049 -4.207 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.612 -7.838 -6.392 1.00 0.00 H new ATOM 0 HB VAL A 25 -8.524 -6.113 -7.905 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -10.911 -6.410 -7.383 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -9.994 -7.921 -7.168 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -10.480 -6.964 -5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.821 -4.224 -7.006 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.345 -4.689 -5.355 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.112 -4.145 -6.517 1.00 0.00 H new ATOM 348 N ALA A 26 -6.061 -5.342 -5.118 1.00 0.00 N ATOM 349 CA ALA A 26 -4.831 -4.558 -5.130 1.00 0.00 C ATOM 350 C ALA A 26 -3.639 -5.402 -4.692 1.00 0.00 C ATOM 351 O ALA A 26 -3.699 -6.101 -3.681 1.00 0.00 O ATOM 352 CB ALA A 26 -4.974 -3.337 -4.234 1.00 0.00 C ATOM 0 H ALA A 26 -6.580 -5.299 -4.241 1.00 0.00 H new ATOM 0 HA ALA A 26 -4.651 -4.225 -6.152 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.049 -2.761 -4.253 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -5.795 -2.716 -4.593 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -5.181 -3.657 -3.213 1.00 0.00 H new ATOM 358 N SER A 27 -2.556 -5.332 -5.460 1.00 0.00 N ATOM 359 CA SER A 27 -1.350 -6.092 -5.153 1.00 0.00 C ATOM 360 C SER A 27 -0.496 -5.364 -4.120 1.00 0.00 C ATOM 361 O SER A 27 -0.517 -4.135 -4.036 1.00 0.00 O ATOM 362 CB SER A 27 -0.536 -6.334 -6.426 1.00 0.00 C ATOM 363 OG SER A 27 0.188 -7.549 -6.345 1.00 0.00 O ATOM 0 H SER A 27 -2.489 -4.757 -6.300 1.00 0.00 H new ATOM 0 HA SER A 27 -1.653 -7.052 -4.736 1.00 0.00 H new ATOM 0 HB2 SER A 27 -1.203 -6.361 -7.288 1.00 0.00 H new ATOM 0 HB3 SER A 27 0.155 -5.505 -6.583 1.00 0.00 H new ATOM 0 HG SER A 27 0.698 -7.681 -7.171 1.00 0.00 H new ATOM 369 N ARG A 28 0.254 -6.130 -3.335 1.00 0.00 N ATOM 370 CA ARG A 28 1.115 -5.559 -2.306 1.00 0.00 C ATOM 371 C ARG A 28 1.797 -4.291 -2.811 1.00 0.00 C ATOM 372 O ARG A 28 2.002 -3.342 -2.055 1.00 0.00 O ATOM 373 CB ARG A 28 2.168 -6.578 -1.869 1.00 0.00 C ATOM 374 CG ARG A 28 3.045 -7.074 -3.007 1.00 0.00 C ATOM 375 CD ARG A 28 4.431 -7.460 -2.514 1.00 0.00 C ATOM 376 NE ARG A 28 5.365 -7.671 -3.617 1.00 0.00 N ATOM 377 CZ ARG A 28 6.686 -7.623 -3.481 1.00 0.00 C ATOM 378 NH1 ARG A 28 7.225 -7.373 -2.296 1.00 0.00 N ATOM 379 NH2 ARG A 28 7.470 -7.826 -4.533 1.00 0.00 N ATOM 0 H ARG A 28 0.283 -7.148 -3.392 1.00 0.00 H new ATOM 0 HA ARG A 28 0.493 -5.300 -1.449 1.00 0.00 H new ATOM 0 HB2 ARG A 28 2.801 -6.129 -1.104 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.668 -7.430 -1.409 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.574 -7.934 -3.483 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.131 -6.297 -3.767 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.814 -6.677 -1.859 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.363 -8.370 -1.917 1.00 0.00 H new ATOM 0 HE ARG A 28 4.982 -7.866 -4.542 1.00 0.00 H new ATOM 0 HH11 ARG A 28 6.625 -7.217 -1.486 1.00 0.00 H new ATOM 0 HH12 ARG A 28 8.239 -7.337 -2.194 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.058 -8.019 -5.446 1.00 0.00 H new ATOM 0 HH22 ARG A 28 8.484 -7.789 -4.428 1.00 0.00 H new ATOM 393 N GLU A 29 2.147 -4.283 -4.094 1.00 0.00 N ATOM 394 CA GLU A 29 2.808 -3.133 -4.698 1.00 0.00 C ATOM 395 C GLU A 29 1.813 -2.003 -4.947 1.00 0.00 C ATOM 396 O GLU A 29 2.090 -0.842 -4.646 1.00 0.00 O ATOM 397 CB GLU A 29 3.480 -3.534 -6.013 1.00 0.00 C ATOM 398 CG GLU A 29 4.916 -4.001 -5.845 1.00 0.00 C ATOM 399 CD GLU A 29 5.913 -2.862 -5.930 1.00 0.00 C ATOM 400 OE1 GLU A 29 5.879 -1.976 -5.050 1.00 0.00 O ATOM 401 OE2 GLU A 29 6.728 -2.857 -6.877 1.00 0.00 O ATOM 0 H GLU A 29 1.984 -5.060 -4.734 1.00 0.00 H new ATOM 0 HA GLU A 29 3.569 -2.778 -4.003 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.900 -4.330 -6.480 1.00 0.00 H new ATOM 0 HB3 GLU A 29 3.461 -2.684 -6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 29 5.022 -4.500 -4.882 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.147 -4.739 -6.613 1.00 0.00 H new ATOM 408 N GLN A 30 0.655 -2.352 -5.498 1.00 0.00 N ATOM 409 CA GLN A 30 -0.380 -1.368 -5.788 1.00 0.00 C ATOM 410 C GLN A 30 -0.774 -0.604 -4.528 1.00 0.00 C ATOM 411 O GLN A 30 -1.061 0.593 -4.578 1.00 0.00 O ATOM 412 CB GLN A 30 -1.610 -2.051 -6.389 1.00 0.00 C ATOM 413 CG GLN A 30 -1.322 -2.789 -7.687 1.00 0.00 C ATOM 414 CD GLN A 30 -2.575 -3.060 -8.494 1.00 0.00 C ATOM 415 OE1 GLN A 30 -3.511 -3.700 -8.013 1.00 0.00 O ATOM 416 NE2 GLN A 30 -2.601 -2.575 -9.730 1.00 0.00 N ATOM 0 H GLN A 30 0.410 -3.309 -5.752 1.00 0.00 H new ATOM 0 HA GLN A 30 0.022 -0.658 -6.511 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -2.016 -2.755 -5.663 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -2.380 -1.301 -6.570 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -0.627 -2.202 -8.288 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.828 -3.734 -7.461 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -1.803 -2.050 -10.089 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -3.419 -2.727 -10.321 1.00 0.00 H new ATOM 425 N LEU A 31 -0.786 -1.303 -3.398 1.00 0.00 N ATOM 426 CA LEU A 31 -1.145 -0.691 -2.124 1.00 0.00 C ATOM 427 C LEU A 31 -0.186 0.443 -1.774 1.00 0.00 C ATOM 428 O LEU A 31 -0.605 1.505 -1.312 1.00 0.00 O ATOM 429 CB LEU A 31 -1.139 -1.741 -1.011 1.00 0.00 C ATOM 430 CG LEU A 31 -2.393 -2.607 -0.898 1.00 0.00 C ATOM 431 CD1 LEU A 31 -3.629 -1.737 -0.728 1.00 0.00 C ATOM 432 CD2 LEU A 31 -2.534 -3.503 -2.120 1.00 0.00 C ATOM 0 H LEU A 31 -0.551 -2.294 -3.338 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.149 -0.277 -2.219 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -0.282 -2.397 -1.162 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -0.987 -1.232 -0.059 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.295 -3.241 -0.016 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.512 -2.371 -0.649 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.531 -1.138 0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.731 -1.078 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.432 -4.113 -2.022 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -2.609 -2.887 -3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.662 -4.152 -2.198 1.00 0.00 H new ATOM 444 N LEU A 32 1.102 0.211 -2.001 1.00 0.00 N ATOM 445 CA LEU A 32 2.122 1.214 -1.712 1.00 0.00 C ATOM 446 C LEU A 32 2.075 2.347 -2.732 1.00 0.00 C ATOM 447 O LEU A 32 2.157 3.522 -2.373 1.00 0.00 O ATOM 448 CB LEU A 32 3.510 0.572 -1.711 1.00 0.00 C ATOM 449 CG LEU A 32 4.545 1.211 -0.784 1.00 0.00 C ATOM 450 CD1 LEU A 32 4.458 0.609 0.609 1.00 0.00 C ATOM 451 CD2 LEU A 32 5.946 1.045 -1.353 1.00 0.00 C ATOM 0 H LEU A 32 1.465 -0.662 -2.384 1.00 0.00 H new ATOM 0 HA LEU A 32 1.919 1.629 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 32 3.403 -0.477 -1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 32 3.900 0.595 -2.729 1.00 0.00 H new ATOM 0 HG LEU A 32 4.329 2.277 -0.710 1.00 0.00 H new ATOM 0 HD11 LEU A 32 5.202 1.076 1.254 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.463 0.782 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 32 4.647 -0.463 0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 32 6.669 1.506 -0.680 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.173 -0.016 -1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 32 6.001 1.526 -2.330 1.00 0.00 H new ATOM 463 N TYR A 33 1.939 1.987 -4.003 1.00 0.00 N ATOM 464 CA TYR A 33 1.881 2.974 -5.075 1.00 0.00 C ATOM 465 C TYR A 33 0.941 4.120 -4.710 1.00 0.00 C ATOM 466 O TYR A 33 1.210 5.281 -5.020 1.00 0.00 O ATOM 467 CB TYR A 33 1.420 2.317 -6.377 1.00 0.00 C ATOM 468 CG TYR A 33 1.547 3.216 -7.587 1.00 0.00 C ATOM 469 CD1 TYR A 33 2.777 3.416 -8.201 1.00 0.00 C ATOM 470 CD2 TYR A 33 0.438 3.865 -8.114 1.00 0.00 C ATOM 471 CE1 TYR A 33 2.898 4.237 -9.306 1.00 0.00 C ATOM 472 CE2 TYR A 33 0.549 4.685 -9.220 1.00 0.00 C ATOM 473 CZ TYR A 33 1.781 4.868 -9.812 1.00 0.00 C ATOM 474 OH TYR A 33 1.897 5.687 -10.912 1.00 0.00 O ATOM 0 H TYR A 33 1.867 1.019 -4.317 1.00 0.00 H new ATOM 0 HA TYR A 33 2.883 3.380 -5.215 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.004 1.412 -6.544 1.00 0.00 H new ATOM 0 HB3 TYR A 33 0.380 2.010 -6.271 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.653 2.922 -7.808 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -0.528 3.726 -7.651 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.862 4.384 -9.771 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -0.324 5.180 -9.619 1.00 0.00 H new ATOM 0 HH TYR A 33 1.017 6.053 -11.142 1.00 0.00 H new ATOM 484 N LEU A 34 -0.161 3.785 -4.048 1.00 0.00 N ATOM 485 CA LEU A 34 -1.141 4.784 -3.639 1.00 0.00 C ATOM 486 C LEU A 34 -0.699 5.489 -2.361 1.00 0.00 C ATOM 487 O LEU A 34 -1.048 6.646 -2.125 1.00 0.00 O ATOM 488 CB LEU A 34 -2.508 4.130 -3.428 1.00 0.00 C ATOM 489 CG LEU A 34 -3.009 3.240 -4.566 1.00 0.00 C ATOM 490 CD1 LEU A 34 -4.444 2.805 -4.311 1.00 0.00 C ATOM 491 CD2 LEU A 34 -2.898 3.965 -5.898 1.00 0.00 C ATOM 0 H LEU A 34 -0.398 2.829 -3.783 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.219 5.527 -4.433 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.466 3.532 -2.518 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.243 4.917 -3.259 1.00 0.00 H new ATOM 0 HG LEU A 34 -2.383 2.349 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.784 2.172 -5.131 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.494 2.246 -3.377 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.084 3.685 -4.242 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.259 3.317 -6.696 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.499 4.874 -5.869 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.856 4.225 -6.085 1.00 0.00 H new ATOM 503 N TYR A 35 0.072 4.785 -1.540 1.00 0.00 N ATOM 504 CA TYR A 35 0.562 5.343 -0.285 1.00 0.00 C ATOM 505 C TYR A 35 1.547 6.479 -0.542 1.00 0.00 C ATOM 506 O TYR A 35 1.408 7.573 0.005 1.00 0.00 O ATOM 507 CB TYR A 35 1.230 4.254 0.556 1.00 0.00 C ATOM 508 CG TYR A 35 2.130 4.795 1.644 1.00 0.00 C ATOM 509 CD1 TYR A 35 3.386 5.307 1.343 1.00 0.00 C ATOM 510 CD2 TYR A 35 1.724 4.794 2.973 1.00 0.00 C ATOM 511 CE1 TYR A 35 4.211 5.802 2.335 1.00 0.00 C ATOM 512 CE2 TYR A 35 2.542 5.288 3.970 1.00 0.00 C ATOM 513 CZ TYR A 35 3.785 5.791 3.646 1.00 0.00 C ATOM 514 OH TYR A 35 4.603 6.283 4.637 1.00 0.00 O ATOM 0 H TYR A 35 0.371 3.827 -1.721 1.00 0.00 H new ATOM 0 HA TYR A 35 -0.291 5.743 0.263 1.00 0.00 H new ATOM 0 HB2 TYR A 35 0.458 3.633 1.010 1.00 0.00 H new ATOM 0 HB3 TYR A 35 1.814 3.608 -0.099 1.00 0.00 H new ATOM 0 HD1 TYR A 35 3.723 5.318 0.317 1.00 0.00 H new ATOM 0 HD2 TYR A 35 0.752 4.400 3.231 1.00 0.00 H new ATOM 0 HE1 TYR A 35 5.185 6.196 2.084 1.00 0.00 H new ATOM 0 HE2 TYR A 35 2.210 5.281 4.998 1.00 0.00 H new ATOM 0 HH TYR A 35 4.152 6.203 5.503 1.00 0.00 H new ATOM 524 N ALA A 36 2.544 6.211 -1.380 1.00 0.00 N ATOM 525 CA ALA A 36 3.552 7.210 -1.713 1.00 0.00 C ATOM 526 C ALA A 36 2.904 8.499 -2.209 1.00 0.00 C ATOM 527 O ALA A 36 3.018 9.546 -1.572 1.00 0.00 O ATOM 528 CB ALA A 36 4.512 6.663 -2.758 1.00 0.00 C ATOM 0 H ALA A 36 2.675 5.310 -1.840 1.00 0.00 H new ATOM 0 HA ALA A 36 4.112 7.441 -0.807 1.00 0.00 H new ATOM 0 HB1 ALA A 36 5.259 7.420 -2.997 1.00 0.00 H new ATOM 0 HB2 ALA A 36 5.008 5.774 -2.367 1.00 0.00 H new ATOM 0 HB3 ALA A 36 3.958 6.402 -3.660 1.00 0.00 H new ATOM 534 N ARG A 37 2.226 8.414 -3.349 1.00 0.00 N ATOM 535 CA ARG A 37 1.563 9.575 -3.931 1.00 0.00 C ATOM 536 C ARG A 37 0.635 10.236 -2.916 1.00 0.00 C ATOM 537 O ARG A 37 0.676 11.451 -2.721 1.00 0.00 O ATOM 538 CB ARG A 37 0.769 9.165 -5.173 1.00 0.00 C ATOM 539 CG ARG A 37 1.606 8.452 -6.222 1.00 0.00 C ATOM 540 CD ARG A 37 0.981 8.565 -7.604 1.00 0.00 C ATOM 541 NE ARG A 37 1.892 8.122 -8.655 1.00 0.00 N ATOM 542 CZ ARG A 37 2.998 8.776 -8.993 1.00 0.00 C ATOM 543 NH1 ARG A 37 3.327 9.897 -8.365 1.00 0.00 N ATOM 544 NH2 ARG A 37 3.777 8.309 -9.961 1.00 0.00 N ATOM 0 H ARG A 37 2.121 7.554 -3.888 1.00 0.00 H new ATOM 0 HA ARG A 37 2.330 10.294 -4.219 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -0.051 8.514 -4.871 1.00 0.00 H new ATOM 0 HB3 ARG A 37 0.323 10.054 -5.619 1.00 0.00 H new ATOM 0 HG2 ARG A 37 2.609 8.877 -6.239 1.00 0.00 H new ATOM 0 HG3 ARG A 37 1.710 7.401 -5.953 1.00 0.00 H new ATOM 0 HD2 ARG A 37 0.069 7.968 -7.639 1.00 0.00 H new ATOM 0 HD3 ARG A 37 0.692 9.600 -7.787 1.00 0.00 H new ATOM 0 HE ARG A 37 1.667 7.263 -9.157 1.00 0.00 H new ATOM 0 HH11 ARG A 37 2.730 10.259 -7.621 1.00 0.00 H new ATOM 0 HH12 ARG A 37 4.177 10.397 -8.626 1.00 0.00 H new ATOM 0 HH21 ARG A 37 3.527 7.447 -10.446 1.00 0.00 H new ATOM 0 HH22 ARG A 37 4.626 8.812 -10.220 1.00 0.00 H new ATOM 558 N TYR A 38 -0.201 9.428 -2.273 1.00 0.00 N ATOM 559 CA TYR A 38 -1.142 9.935 -1.280 1.00 0.00 C ATOM 560 C TYR A 38 -0.408 10.642 -0.145 1.00 0.00 C ATOM 561 O TYR A 38 -0.909 11.610 0.427 1.00 0.00 O ATOM 562 CB TYR A 38 -1.990 8.792 -0.720 1.00 0.00 C ATOM 563 CG TYR A 38 -3.088 9.253 0.211 1.00 0.00 C ATOM 564 CD1 TYR A 38 -2.789 9.786 1.459 1.00 0.00 C ATOM 565 CD2 TYR A 38 -4.424 9.154 -0.156 1.00 0.00 C ATOM 566 CE1 TYR A 38 -3.788 10.208 2.314 1.00 0.00 C ATOM 567 CE2 TYR A 38 -5.431 9.575 0.692 1.00 0.00 C ATOM 568 CZ TYR A 38 -5.108 10.101 1.926 1.00 0.00 C ATOM 569 OH TYR A 38 -6.107 10.519 2.774 1.00 0.00 O ATOM 0 H TYR A 38 -0.247 8.420 -2.421 1.00 0.00 H new ATOM 0 HA TYR A 38 -1.795 10.656 -1.771 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -2.435 8.241 -1.549 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -1.341 8.097 -0.187 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -1.757 9.872 1.766 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -4.680 8.741 -1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -3.538 10.619 3.281 1.00 0.00 H new ATOM 0 HE2 TYR A 38 -6.465 9.493 0.390 1.00 0.00 H new ATOM 0 HH TYR A 38 -6.978 10.376 2.349 1.00 0.00 H new ATOM 579 N LYS A 39 0.785 10.151 0.176 1.00 0.00 N ATOM 580 CA LYS A 39 1.591 10.734 1.241 1.00 0.00 C ATOM 581 C LYS A 39 2.309 11.989 0.755 1.00 0.00 C ATOM 582 O LYS A 39 2.840 12.760 1.554 1.00 0.00 O ATOM 583 CB LYS A 39 2.612 9.715 1.752 1.00 0.00 C ATOM 584 CG LYS A 39 2.023 8.686 2.701 1.00 0.00 C ATOM 585 CD LYS A 39 1.649 9.308 4.036 1.00 0.00 C ATOM 586 CE LYS A 39 2.881 9.776 4.797 1.00 0.00 C ATOM 587 NZ LYS A 39 2.669 9.741 6.270 1.00 0.00 N ATOM 0 H LYS A 39 1.214 9.350 -0.287 1.00 0.00 H new ATOM 0 HA LYS A 39 0.924 11.011 2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.055 9.199 0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.419 10.245 2.259 1.00 0.00 H new ATOM 0 HG2 LYS A 39 1.140 8.236 2.248 1.00 0.00 H new ATOM 0 HG3 LYS A 39 2.743 7.884 2.861 1.00 0.00 H new ATOM 0 HD2 LYS A 39 0.980 10.152 3.871 1.00 0.00 H new ATOM 0 HD3 LYS A 39 1.103 8.581 4.637 1.00 0.00 H new ATOM 0 HE2 LYS A 39 3.730 9.144 4.537 1.00 0.00 H new ATOM 0 HE3 LYS A 39 3.133 10.791 4.490 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 3.531 10.067 6.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.875 10.364 6.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.453 8.768 6.567 1.00 0.00 H new ATOM 601 N GLN A 40 2.321 12.187 -0.560 1.00 0.00 N ATOM 602 CA GLN A 40 2.973 13.349 -1.151 1.00 0.00 C ATOM 603 C GLN A 40 1.973 14.477 -1.381 1.00 0.00 C ATOM 604 O GLN A 40 2.347 15.647 -1.456 1.00 0.00 O ATOM 605 CB GLN A 40 3.642 12.967 -2.473 1.00 0.00 C ATOM 606 CG GLN A 40 3.845 14.143 -3.414 1.00 0.00 C ATOM 607 CD GLN A 40 4.710 15.232 -2.809 1.00 0.00 C ATOM 608 OE1 GLN A 40 4.333 16.404 -2.796 1.00 0.00 O ATOM 609 NE2 GLN A 40 5.877 14.849 -2.304 1.00 0.00 N ATOM 0 H GLN A 40 1.887 11.558 -1.235 1.00 0.00 H new ATOM 0 HA GLN A 40 3.734 13.700 -0.454 1.00 0.00 H new ATOM 0 HB2 GLN A 40 4.609 12.510 -2.263 1.00 0.00 H new ATOM 0 HB3 GLN A 40 3.035 12.213 -2.973 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.305 13.790 -4.337 1.00 0.00 H new ATOM 0 HG3 GLN A 40 2.875 14.561 -3.681 1.00 0.00 H new ATOM 0 HE21 GLN A 40 6.149 13.866 -2.336 1.00 0.00 H new ATOM 0 HE22 GLN A 40 6.501 15.537 -1.884 1.00 0.00 H new ATOM 618 N VAL A 41 0.698 14.117 -1.492 1.00 0.00 N ATOM 619 CA VAL A 41 -0.357 15.098 -1.712 1.00 0.00 C ATOM 620 C VAL A 41 -0.895 15.634 -0.390 1.00 0.00 C ATOM 621 O VAL A 41 -1.374 16.765 -0.314 1.00 0.00 O ATOM 622 CB VAL A 41 -1.522 14.498 -2.522 1.00 0.00 C ATOM 623 CG1 VAL A 41 -1.000 13.777 -3.755 1.00 0.00 C ATOM 624 CG2 VAL A 41 -2.345 13.559 -1.654 1.00 0.00 C ATOM 0 H VAL A 41 0.371 13.153 -1.433 1.00 0.00 H new ATOM 0 HA VAL A 41 0.086 15.917 -2.279 1.00 0.00 H new ATOM 0 HB VAL A 41 -2.168 15.311 -2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -1.837 13.360 -4.314 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.457 14.481 -4.386 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -0.331 12.973 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.164 13.144 -2.242 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.711 12.749 -1.292 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.751 14.110 -0.805 1.00 0.00 H new ATOM 634 N LYS A 42 -0.811 14.814 0.652 1.00 0.00 N ATOM 635 CA LYS A 42 -1.287 15.204 1.974 1.00 0.00 C ATOM 636 C LYS A 42 -0.201 15.947 2.746 1.00 0.00 C ATOM 637 O LYS A 42 -0.421 17.054 3.237 1.00 0.00 O ATOM 638 CB LYS A 42 -1.735 13.971 2.762 1.00 0.00 C ATOM 639 CG LYS A 42 -3.079 13.421 2.318 1.00 0.00 C ATOM 640 CD LYS A 42 -4.173 14.470 2.422 1.00 0.00 C ATOM 641 CE LYS A 42 -4.442 15.131 1.079 1.00 0.00 C ATOM 642 NZ LYS A 42 -5.102 16.456 1.235 1.00 0.00 N ATOM 0 H LYS A 42 -0.417 13.874 0.606 1.00 0.00 H new ATOM 0 HA LYS A 42 -2.138 15.873 1.844 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -0.981 13.191 2.659 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -1.788 14.226 3.820 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -3.007 13.070 1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.341 12.559 2.931 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -5.088 14.007 2.790 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.884 15.228 3.150 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -3.502 15.255 0.540 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.073 14.480 0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -5.268 16.874 0.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -6.011 16.336 1.726 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -4.489 17.086 1.791 1.00 0.00 H new ATOM 656 N VAL A 43 0.973 15.331 2.848 1.00 0.00 N ATOM 657 CA VAL A 43 2.094 15.935 3.558 1.00 0.00 C ATOM 658 C VAL A 43 2.916 16.825 2.632 1.00 0.00 C ATOM 659 O VAL A 43 2.957 18.043 2.800 1.00 0.00 O ATOM 660 CB VAL A 43 3.014 14.862 4.170 1.00 0.00 C ATOM 661 CG1 VAL A 43 4.074 15.507 5.050 1.00 0.00 C ATOM 662 CG2 VAL A 43 2.199 13.849 4.959 1.00 0.00 C ATOM 0 H VAL A 43 1.172 14.414 2.448 1.00 0.00 H new ATOM 0 HA VAL A 43 1.671 16.541 4.359 1.00 0.00 H new ATOM 0 HB VAL A 43 3.519 14.336 3.360 1.00 0.00 H new ATOM 0 HG11 VAL A 43 4.715 14.734 5.474 1.00 0.00 H new ATOM 0 HG12 VAL A 43 4.677 16.190 4.452 1.00 0.00 H new ATOM 0 HG13 VAL A 43 3.591 16.060 5.856 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.865 13.098 5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 43 1.665 14.357 5.762 1.00 0.00 H new ATOM 0 HG23 VAL A 43 1.482 13.364 4.297 1.00 0.00 H new ATOM 672 N GLY A 44 3.569 16.207 1.653 1.00 0.00 N ATOM 673 CA GLY A 44 4.381 16.958 0.713 1.00 0.00 C ATOM 674 C GLY A 44 5.819 16.479 0.677 1.00 0.00 C ATOM 675 O GLY A 44 6.085 15.284 0.794 1.00 0.00 O ATOM 0 H GLY A 44 3.550 15.200 1.494 1.00 0.00 H new ATOM 0 HA2 GLY A 44 3.948 16.874 -0.284 1.00 0.00 H new ATOM 0 HA3 GLY A 44 4.360 18.014 0.982 1.00 0.00 H new ATOM 679 N ASN A 45 6.749 17.415 0.513 1.00 0.00 N ATOM 680 CA ASN A 45 8.167 17.081 0.459 1.00 0.00 C ATOM 681 C ASN A 45 8.559 16.181 1.627 1.00 0.00 C ATOM 682 O ASN A 45 8.554 16.609 2.782 1.00 0.00 O ATOM 683 CB ASN A 45 9.013 18.356 0.476 1.00 0.00 C ATOM 684 CG ASN A 45 9.146 18.980 -0.899 1.00 0.00 C ATOM 685 OD1 ASN A 45 10.254 19.199 -1.390 1.00 0.00 O ATOM 686 ND2 ASN A 45 8.013 19.272 -1.528 1.00 0.00 N ATOM 0 H ASN A 45 6.546 18.410 0.415 1.00 0.00 H new ATOM 0 HA ASN A 45 8.353 16.542 -0.470 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.563 19.078 1.158 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.005 18.125 0.865 1.00 0.00 H new ATOM 0 HD21 ASN A 45 8.039 19.695 -2.456 1.00 0.00 H new ATOM 0 HD22 ASN A 45 7.117 19.073 -1.083 1.00 0.00 H new ATOM 693 N CYS A 46 8.898 14.935 1.318 1.00 0.00 N ATOM 694 CA CYS A 46 9.293 13.974 2.342 1.00 0.00 C ATOM 695 C CYS A 46 10.292 14.594 3.313 1.00 0.00 C ATOM 696 O CYS A 46 11.328 15.115 2.904 1.00 0.00 O ATOM 697 CB CYS A 46 9.899 12.727 1.695 1.00 0.00 C ATOM 698 SG CYS A 46 9.691 11.216 2.666 1.00 0.00 S ATOM 0 H CYS A 46 8.907 14.566 0.367 1.00 0.00 H new ATOM 0 HA CYS A 46 8.401 13.688 2.900 1.00 0.00 H new ATOM 0 HB2 CYS A 46 9.444 12.582 0.715 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.963 12.897 1.531 1.00 0.00 H new ATOM 0 HG CYS A 46 8.429 10.912 2.730 1.00 0.00 H new ATOM 704 N ASN A 47 9.972 14.534 4.602 1.00 0.00 N ATOM 705 CA ASN A 47 10.841 15.091 5.632 1.00 0.00 C ATOM 706 C ASN A 47 11.145 14.053 6.707 1.00 0.00 C ATOM 707 O ASN A 47 12.260 13.989 7.226 1.00 0.00 O ATOM 708 CB ASN A 47 10.189 16.322 6.266 1.00 0.00 C ATOM 709 CG ASN A 47 8.948 15.973 7.064 1.00 0.00 C ATOM 710 OD1 ASN A 47 9.019 15.736 8.270 1.00 0.00 O ATOM 711 ND2 ASN A 47 7.803 15.940 6.393 1.00 0.00 N ATOM 0 H ASN A 47 9.118 14.105 4.958 1.00 0.00 H new ATOM 0 HA ASN A 47 11.779 15.386 5.161 1.00 0.00 H new ATOM 0 HB2 ASN A 47 10.910 16.816 6.918 1.00 0.00 H new ATOM 0 HB3 ASN A 47 9.926 17.034 5.484 1.00 0.00 H new ATOM 0 HD21 ASN A 47 6.935 15.711 6.877 1.00 0.00 H new ATOM 0 HD22 ASN A 47 7.792 16.143 5.394 1.00 0.00 H new ATOM 718 N THR A 48 10.147 13.240 7.038 1.00 0.00 N ATOM 719 CA THR A 48 10.307 12.205 8.051 1.00 0.00 C ATOM 720 C THR A 48 11.661 11.516 7.924 1.00 0.00 C ATOM 721 O THR A 48 12.267 11.478 6.853 1.00 0.00 O ATOM 722 CB THR A 48 9.194 11.145 7.952 1.00 0.00 C ATOM 723 OG1 THR A 48 9.046 10.714 6.594 1.00 0.00 O ATOM 724 CG2 THR A 48 7.871 11.700 8.459 1.00 0.00 C ATOM 0 H THR A 48 9.218 13.279 6.618 1.00 0.00 H new ATOM 0 HA THR A 48 10.243 12.699 9.020 1.00 0.00 H new ATOM 0 HB THR A 48 9.477 10.296 8.574 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.535 9.875 6.462 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.100 10.933 8.379 1.00 0.00 H new ATOM 0 HG22 THR A 48 7.978 12.000 9.501 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.586 12.565 7.860 1.00 0.00 H new ATOM 732 N PRO A 49 12.149 10.958 9.042 1.00 0.00 N ATOM 733 CA PRO A 49 13.437 10.260 9.081 1.00 0.00 C ATOM 734 C PRO A 49 13.403 8.939 8.319 1.00 0.00 C ATOM 735 O PRO A 49 12.377 8.260 8.277 1.00 0.00 O ATOM 736 CB PRO A 49 13.660 10.010 10.575 1.00 0.00 C ATOM 737 CG PRO A 49 12.292 9.994 11.165 1.00 0.00 C ATOM 738 CD PRO A 49 11.480 10.966 10.354 1.00 0.00 C ATOM 0 HA PRO A 49 14.230 10.840 8.609 1.00 0.00 H new ATOM 0 HB2 PRO A 49 14.176 9.065 10.746 1.00 0.00 H new ATOM 0 HB3 PRO A 49 14.274 10.793 11.020 1.00 0.00 H new ATOM 0 HG2 PRO A 49 11.860 8.994 11.122 1.00 0.00 H new ATOM 0 HG3 PRO A 49 12.316 10.286 12.215 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.439 10.653 10.276 1.00 0.00 H new ATOM 0 HD3 PRO A 49 11.481 11.961 10.800 1.00 0.00 H new ATOM 746 N LYS A 50 14.532 8.579 7.718 1.00 0.00 N ATOM 747 CA LYS A 50 14.633 7.339 6.959 1.00 0.00 C ATOM 748 C LYS A 50 14.507 6.127 7.877 1.00 0.00 C ATOM 749 O LYS A 50 15.113 6.063 8.947 1.00 0.00 O ATOM 750 CB LYS A 50 15.965 7.284 6.206 1.00 0.00 C ATOM 751 CG LYS A 50 16.068 6.119 5.237 1.00 0.00 C ATOM 752 CD LYS A 50 17.374 6.155 4.460 1.00 0.00 C ATOM 753 CE LYS A 50 17.336 5.217 3.263 1.00 0.00 C ATOM 754 NZ LYS A 50 18.688 5.015 2.673 1.00 0.00 N ATOM 0 H LYS A 50 15.390 9.129 7.742 1.00 0.00 H new ATOM 0 HA LYS A 50 13.814 7.316 6.240 1.00 0.00 H new ATOM 0 HB2 LYS A 50 16.101 8.216 5.657 1.00 0.00 H new ATOM 0 HB3 LYS A 50 16.779 7.218 6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 50 15.996 5.180 5.786 1.00 0.00 H new ATOM 0 HG3 LYS A 50 15.229 6.147 4.542 1.00 0.00 H new ATOM 0 HD2 LYS A 50 17.569 7.172 4.120 1.00 0.00 H new ATOM 0 HD3 LYS A 50 18.197 5.875 5.117 1.00 0.00 H new ATOM 0 HE2 LYS A 50 16.926 4.255 3.569 1.00 0.00 H new ATOM 0 HE3 LYS A 50 16.666 5.623 2.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 18.619 4.370 1.860 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 19.069 5.930 2.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 19.321 4.604 3.388 1.00 0.00 H new ATOM 768 N PRO A 51 13.702 5.142 7.451 1.00 0.00 N ATOM 769 CA PRO A 51 13.479 3.914 8.219 1.00 0.00 C ATOM 770 C PRO A 51 14.715 3.021 8.256 1.00 0.00 C ATOM 771 O PRO A 51 15.543 3.052 7.346 1.00 0.00 O ATOM 772 CB PRO A 51 12.343 3.222 7.461 1.00 0.00 C ATOM 773 CG PRO A 51 12.448 3.738 6.068 1.00 0.00 C ATOM 774 CD PRO A 51 12.948 5.151 6.186 1.00 0.00 C ATOM 0 HA PRO A 51 13.248 4.123 9.263 1.00 0.00 H new ATOM 0 HB2 PRO A 51 12.450 2.138 7.491 1.00 0.00 H new ATOM 0 HB3 PRO A 51 11.373 3.459 7.899 1.00 0.00 H new ATOM 0 HG2 PRO A 51 13.133 3.130 5.477 1.00 0.00 H new ATOM 0 HG3 PRO A 51 11.481 3.707 5.566 1.00 0.00 H new ATOM 0 HD2 PRO A 51 13.582 5.425 5.342 1.00 0.00 H new ATOM 0 HD3 PRO A 51 12.127 5.867 6.213 1.00 0.00 H new ATOM 782 N SER A 52 14.833 2.225 9.315 1.00 0.00 N ATOM 783 CA SER A 52 15.970 1.326 9.472 1.00 0.00 C ATOM 784 C SER A 52 15.897 0.178 8.469 1.00 0.00 C ATOM 785 O SER A 52 14.829 -0.138 7.946 1.00 0.00 O ATOM 786 CB SER A 52 16.015 0.771 10.897 1.00 0.00 C ATOM 787 OG SER A 52 17.302 0.264 11.206 1.00 0.00 O ATOM 0 H SER A 52 14.155 2.185 10.076 1.00 0.00 H new ATOM 0 HA SER A 52 16.880 1.894 9.282 1.00 0.00 H new ATOM 0 HB2 SER A 52 15.750 1.556 11.605 1.00 0.00 H new ATOM 0 HB3 SER A 52 15.273 -0.020 11.006 1.00 0.00 H new ATOM 0 HG SER A 52 17.305 -0.083 12.122 1.00 0.00 H new ATOM 793 N PHE A 53 17.043 -0.442 8.205 1.00 0.00 N ATOM 794 CA PHE A 53 17.111 -1.554 7.265 1.00 0.00 C ATOM 795 C PHE A 53 16.173 -2.681 7.686 1.00 0.00 C ATOM 796 O PHE A 53 15.437 -3.231 6.867 1.00 0.00 O ATOM 797 CB PHE A 53 18.545 -2.078 7.165 1.00 0.00 C ATOM 798 CG PHE A 53 18.682 -3.285 6.281 1.00 0.00 C ATOM 799 CD1 PHE A 53 18.479 -4.558 6.788 1.00 0.00 C ATOM 800 CD2 PHE A 53 19.015 -3.145 4.943 1.00 0.00 C ATOM 801 CE1 PHE A 53 18.604 -5.670 5.977 1.00 0.00 C ATOM 802 CE2 PHE A 53 19.141 -4.253 4.127 1.00 0.00 C ATOM 803 CZ PHE A 53 18.937 -5.518 4.645 1.00 0.00 C ATOM 0 H PHE A 53 17.937 -0.193 8.629 1.00 0.00 H new ATOM 0 HA PHE A 53 16.796 -1.190 6.287 1.00 0.00 H new ATOM 0 HB2 PHE A 53 19.188 -1.284 6.785 1.00 0.00 H new ATOM 0 HB3 PHE A 53 18.903 -2.327 8.164 1.00 0.00 H new ATOM 0 HD1 PHE A 53 18.220 -4.683 7.829 1.00 0.00 H new ATOM 0 HD2 PHE A 53 19.178 -2.159 4.534 1.00 0.00 H new ATOM 0 HE1 PHE A 53 18.441 -6.657 6.384 1.00 0.00 H new ATOM 0 HE2 PHE A 53 19.399 -4.131 3.085 1.00 0.00 H new ATOM 0 HZ PHE A 53 19.038 -6.386 4.010 1.00 0.00 H new ATOM 813 N PHE A 54 16.207 -3.021 8.971 1.00 0.00 N ATOM 814 CA PHE A 54 15.361 -4.084 9.502 1.00 0.00 C ATOM 815 C PHE A 54 13.893 -3.826 9.177 1.00 0.00 C ATOM 816 O PHE A 54 13.179 -4.722 8.726 1.00 0.00 O ATOM 817 CB PHE A 54 15.547 -4.203 11.017 1.00 0.00 C ATOM 818 CG PHE A 54 16.656 -5.134 11.414 1.00 0.00 C ATOM 819 CD1 PHE A 54 17.938 -4.957 10.919 1.00 0.00 C ATOM 820 CD2 PHE A 54 16.416 -6.188 12.282 1.00 0.00 C ATOM 821 CE1 PHE A 54 18.961 -5.813 11.282 1.00 0.00 C ATOM 822 CE2 PHE A 54 17.436 -7.046 12.649 1.00 0.00 C ATOM 823 CZ PHE A 54 18.709 -6.859 12.148 1.00 0.00 C ATOM 0 H PHE A 54 16.810 -2.576 9.663 1.00 0.00 H new ATOM 0 HA PHE A 54 15.659 -5.021 9.031 1.00 0.00 H new ATOM 0 HB2 PHE A 54 15.749 -3.214 11.429 1.00 0.00 H new ATOM 0 HB3 PHE A 54 14.615 -4.550 11.463 1.00 0.00 H new ATOM 0 HD1 PHE A 54 18.140 -4.141 10.242 1.00 0.00 H new ATOM 0 HD2 PHE A 54 15.422 -6.340 12.676 1.00 0.00 H new ATOM 0 HE1 PHE A 54 19.956 -5.664 10.889 1.00 0.00 H new ATOM 0 HE2 PHE A 54 17.237 -7.862 13.327 1.00 0.00 H new ATOM 0 HZ PHE A 54 19.506 -7.530 12.433 1.00 0.00 H new ATOM 833 N ASP A 55 13.450 -2.595 9.409 1.00 0.00 N ATOM 834 CA ASP A 55 12.067 -2.217 9.141 1.00 0.00 C ATOM 835 C ASP A 55 11.809 -2.130 7.640 1.00 0.00 C ATOM 836 O ASP A 55 11.721 -1.038 7.077 1.00 0.00 O ATOM 837 CB ASP A 55 11.744 -0.878 9.805 1.00 0.00 C ATOM 838 CG ASP A 55 10.269 -0.732 10.126 1.00 0.00 C ATOM 839 OD1 ASP A 55 9.509 -0.297 9.236 1.00 0.00 O ATOM 840 OD2 ASP A 55 9.876 -1.052 11.268 1.00 0.00 O ATOM 0 H ASP A 55 14.028 -1.842 9.782 1.00 0.00 H new ATOM 0 HA ASP A 55 11.418 -2.987 9.559 1.00 0.00 H new ATOM 0 HB2 ASP A 55 12.324 -0.782 10.723 1.00 0.00 H new ATOM 0 HB3 ASP A 55 12.052 -0.066 9.147 1.00 0.00 H new ATOM 845 N PHE A 56 11.690 -3.287 6.997 1.00 0.00 N ATOM 846 CA PHE A 56 11.445 -3.341 5.561 1.00 0.00 C ATOM 847 C PHE A 56 10.095 -2.718 5.215 1.00 0.00 C ATOM 848 O PHE A 56 10.021 -1.758 4.450 1.00 0.00 O ATOM 849 CB PHE A 56 11.491 -4.789 5.068 1.00 0.00 C ATOM 850 CG PHE A 56 12.322 -5.691 5.936 1.00 0.00 C ATOM 851 CD1 PHE A 56 11.764 -6.323 7.035 1.00 0.00 C ATOM 852 CD2 PHE A 56 13.662 -5.905 5.652 1.00 0.00 C ATOM 853 CE1 PHE A 56 12.526 -7.154 7.835 1.00 0.00 C ATOM 854 CE2 PHE A 56 14.428 -6.735 6.448 1.00 0.00 C ATOM 855 CZ PHE A 56 13.860 -7.359 7.542 1.00 0.00 C ATOM 0 H PHE A 56 11.759 -4.199 7.448 1.00 0.00 H new ATOM 0 HA PHE A 56 12.228 -2.769 5.063 1.00 0.00 H new ATOM 0 HB2 PHE A 56 10.475 -5.180 5.019 1.00 0.00 H new ATOM 0 HB3 PHE A 56 11.889 -4.807 4.053 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.722 -6.165 7.270 1.00 0.00 H new ATOM 0 HD2 PHE A 56 14.112 -5.418 4.800 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.079 -7.642 8.688 1.00 0.00 H new ATOM 0 HE2 PHE A 56 15.470 -6.896 6.215 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.458 -8.006 8.167 1.00 0.00 H new ATOM 865 N GLU A 57 9.031 -3.273 5.786 1.00 0.00 N ATOM 866 CA GLU A 57 7.684 -2.773 5.538 1.00 0.00 C ATOM 867 C GLU A 57 7.680 -1.251 5.430 1.00 0.00 C ATOM 868 O GLU A 57 7.262 -0.690 4.417 1.00 0.00 O ATOM 869 CB GLU A 57 6.736 -3.218 6.654 1.00 0.00 C ATOM 870 CG GLU A 57 6.830 -4.700 6.977 1.00 0.00 C ATOM 871 CD GLU A 57 5.776 -5.148 7.971 1.00 0.00 C ATOM 872 OE1 GLU A 57 4.678 -5.547 7.531 1.00 0.00 O ATOM 873 OE2 GLU A 57 6.050 -5.099 9.189 1.00 0.00 O ATOM 0 H GLU A 57 9.075 -4.068 6.423 1.00 0.00 H new ATOM 0 HA GLU A 57 7.339 -3.189 4.591 1.00 0.00 H new ATOM 0 HB2 GLU A 57 6.954 -2.644 7.555 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.712 -2.982 6.365 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.725 -5.276 6.058 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.819 -4.919 7.379 1.00 0.00 H new ATOM 880 N GLY A 58 8.149 -0.587 6.482 1.00 0.00 N ATOM 881 CA GLY A 58 8.190 0.864 6.486 1.00 0.00 C ATOM 882 C GLY A 58 9.180 1.418 5.482 1.00 0.00 C ATOM 883 O GLY A 58 9.005 2.525 4.972 1.00 0.00 O ATOM 0 H GLY A 58 8.501 -1.028 7.332 1.00 0.00 H new ATOM 0 HA2 GLY A 58 7.196 1.253 6.265 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.454 1.214 7.484 1.00 0.00 H new ATOM 887 N LYS A 59 10.225 0.648 5.196 1.00 0.00 N ATOM 888 CA LYS A 59 11.249 1.068 4.246 1.00 0.00 C ATOM 889 C LYS A 59 10.630 1.403 2.893 1.00 0.00 C ATOM 890 O LYS A 59 10.801 2.508 2.379 1.00 0.00 O ATOM 891 CB LYS A 59 12.301 -0.031 4.080 1.00 0.00 C ATOM 892 CG LYS A 59 13.552 0.430 3.353 1.00 0.00 C ATOM 893 CD LYS A 59 14.682 -0.575 3.496 1.00 0.00 C ATOM 894 CE LYS A 59 14.399 -1.847 2.712 1.00 0.00 C ATOM 895 NZ LYS A 59 14.598 -1.653 1.249 1.00 0.00 N ATOM 0 H LYS A 59 10.385 -0.271 5.609 1.00 0.00 H new ATOM 0 HA LYS A 59 11.728 1.965 4.639 1.00 0.00 H new ATOM 0 HB2 LYS A 59 12.580 -0.407 5.064 1.00 0.00 H new ATOM 0 HB3 LYS A 59 11.860 -0.865 3.534 1.00 0.00 H new ATOM 0 HG2 LYS A 59 13.327 0.578 2.297 1.00 0.00 H new ATOM 0 HG3 LYS A 59 13.869 1.395 3.749 1.00 0.00 H new ATOM 0 HD2 LYS A 59 15.613 -0.130 3.145 1.00 0.00 H new ATOM 0 HD3 LYS A 59 14.822 -0.819 4.549 1.00 0.00 H new ATOM 0 HE2 LYS A 59 15.053 -2.644 3.065 1.00 0.00 H new ATOM 0 HE3 LYS A 59 13.375 -2.169 2.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 14.461 -2.559 0.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 13.910 -0.959 0.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 15.562 -1.305 1.073 1.00 0.00 H new ATOM 909 N GLN A 60 9.910 0.442 2.322 1.00 0.00 N ATOM 910 CA GLN A 60 9.265 0.637 1.029 1.00 0.00 C ATOM 911 C GLN A 60 8.334 1.844 1.061 1.00 0.00 C ATOM 912 O GLN A 60 8.342 2.672 0.150 1.00 0.00 O ATOM 913 CB GLN A 60 8.482 -0.616 0.632 1.00 0.00 C ATOM 914 CG GLN A 60 7.588 -1.151 1.739 1.00 0.00 C ATOM 915 CD GLN A 60 6.775 -2.353 1.303 1.00 0.00 C ATOM 916 OE1 GLN A 60 5.549 -2.288 1.213 1.00 0.00 O ATOM 917 NE2 GLN A 60 7.455 -3.460 1.028 1.00 0.00 N ATOM 0 H GLN A 60 9.759 -0.479 2.734 1.00 0.00 H new ATOM 0 HA GLN A 60 10.043 0.821 0.288 1.00 0.00 H new ATOM 0 HB2 GLN A 60 7.870 -0.390 -0.241 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.185 -1.395 0.336 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.203 -1.425 2.597 1.00 0.00 H new ATOM 0 HG3 GLN A 60 6.913 -0.361 2.069 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.471 -3.469 1.116 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.961 -4.301 0.729 1.00 0.00 H new ATOM 926 N LYS A 61 7.532 1.939 2.116 1.00 0.00 N ATOM 927 CA LYS A 61 6.595 3.045 2.269 1.00 0.00 C ATOM 928 C LYS A 61 7.322 4.385 2.222 1.00 0.00 C ATOM 929 O LYS A 61 7.055 5.217 1.355 1.00 0.00 O ATOM 930 CB LYS A 61 5.829 2.914 3.588 1.00 0.00 C ATOM 931 CG LYS A 61 5.075 1.602 3.725 1.00 0.00 C ATOM 932 CD LYS A 61 4.278 1.551 5.018 1.00 0.00 C ATOM 933 CE LYS A 61 2.868 2.087 4.825 1.00 0.00 C ATOM 934 NZ LYS A 61 1.924 1.543 5.840 1.00 0.00 N ATOM 0 H LYS A 61 7.512 1.262 2.879 1.00 0.00 H new ATOM 0 HA LYS A 61 5.888 3.006 1.440 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.530 3.009 4.417 1.00 0.00 H new ATOM 0 HB3 LYS A 61 5.123 3.740 3.672 1.00 0.00 H new ATOM 0 HG2 LYS A 61 4.402 1.477 2.876 1.00 0.00 H new ATOM 0 HG3 LYS A 61 5.780 0.771 3.698 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.232 0.523 5.378 1.00 0.00 H new ATOM 0 HD3 LYS A 61 4.788 2.134 5.784 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.881 3.175 4.888 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.515 1.830 3.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.974 1.932 5.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 1.892 0.506 5.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.246 1.810 6.792 1.00 0.00 H new ATOM 948 N TRP A 62 8.242 4.586 3.159 1.00 0.00 N ATOM 949 CA TRP A 62 9.009 5.825 3.223 1.00 0.00 C ATOM 950 C TRP A 62 9.697 6.109 1.892 1.00 0.00 C ATOM 951 O TRP A 62 9.612 7.217 1.364 1.00 0.00 O ATOM 952 CB TRP A 62 10.049 5.748 4.342 1.00 0.00 C ATOM 953 CG TRP A 62 10.777 7.038 4.566 1.00 0.00 C ATOM 954 CD1 TRP A 62 10.392 8.066 5.380 1.00 0.00 C ATOM 955 CD2 TRP A 62 12.014 7.439 3.968 1.00 0.00 C ATOM 956 NE1 TRP A 62 11.316 9.082 5.323 1.00 0.00 N ATOM 957 CE2 TRP A 62 12.321 8.721 4.465 1.00 0.00 C ATOM 958 CE3 TRP A 62 12.894 6.839 3.063 1.00 0.00 C ATOM 959 CZ2 TRP A 62 13.469 9.412 4.084 1.00 0.00 C ATOM 960 CZ3 TRP A 62 14.033 7.526 2.686 1.00 0.00 C ATOM 961 CH2 TRP A 62 14.313 8.800 3.197 1.00 0.00 C ATOM 0 H TRP A 62 8.475 3.908 3.884 1.00 0.00 H new ATOM 0 HA TRP A 62 8.317 6.640 3.435 1.00 0.00 H new ATOM 0 HB2 TRP A 62 9.555 5.452 5.268 1.00 0.00 H new ATOM 0 HB3 TRP A 62 10.772 4.968 4.103 1.00 0.00 H new ATOM 0 HD1 TRP A 62 9.494 8.078 5.980 1.00 0.00 H new ATOM 0 HE1 TRP A 62 11.262 9.962 5.836 1.00 0.00 H new ATOM 0 HE3 TRP A 62 12.688 5.856 2.665 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 13.685 10.395 4.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 14.719 7.073 1.985 1.00 0.00 H new ATOM 0 HH2 TRP A 62 15.213 9.309 2.885 1.00 0.00 H new ATOM 972 N GLU A 63 10.377 5.101 1.355 1.00 0.00 N ATOM 973 CA GLU A 63 11.080 5.244 0.086 1.00 0.00 C ATOM 974 C GLU A 63 10.139 5.753 -1.002 1.00 0.00 C ATOM 975 O GLU A 63 10.237 6.901 -1.436 1.00 0.00 O ATOM 976 CB GLU A 63 11.692 3.907 -0.338 1.00 0.00 C ATOM 977 CG GLU A 63 12.960 3.551 0.419 1.00 0.00 C ATOM 978 CD GLU A 63 13.912 2.704 -0.403 1.00 0.00 C ATOM 979 OE1 GLU A 63 13.747 1.466 -0.413 1.00 0.00 O ATOM 980 OE2 GLU A 63 14.822 3.279 -1.037 1.00 0.00 O ATOM 0 H GLU A 63 10.456 4.177 1.779 1.00 0.00 H new ATOM 0 HA GLU A 63 11.879 5.973 0.223 1.00 0.00 H new ATOM 0 HB2 GLU A 63 10.956 3.117 -0.189 1.00 0.00 H new ATOM 0 HB3 GLU A 63 11.913 3.940 -1.405 1.00 0.00 H new ATOM 0 HG2 GLU A 63 13.466 4.467 0.724 1.00 0.00 H new ATOM 0 HG3 GLU A 63 12.696 3.014 1.330 1.00 0.00 H new ATOM 987 N ALA A 64 9.227 4.891 -1.439 1.00 0.00 N ATOM 988 CA ALA A 64 8.268 5.252 -2.475 1.00 0.00 C ATOM 989 C ALA A 64 7.869 6.720 -2.365 1.00 0.00 C ATOM 990 O ALA A 64 7.934 7.465 -3.343 1.00 0.00 O ATOM 991 CB ALA A 64 7.037 4.361 -2.389 1.00 0.00 C ATOM 0 H ALA A 64 9.132 3.937 -1.091 1.00 0.00 H new ATOM 0 HA ALA A 64 8.744 5.103 -3.444 1.00 0.00 H new ATOM 0 HB1 ALA A 64 6.329 4.642 -3.169 1.00 0.00 H new ATOM 0 HB2 ALA A 64 7.331 3.320 -2.524 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.568 4.482 -1.413 1.00 0.00 H new ATOM 997 N TRP A 65 7.456 7.128 -1.171 1.00 0.00 N ATOM 998 CA TRP A 65 7.045 8.508 -0.935 1.00 0.00 C ATOM 999 C TRP A 65 8.225 9.461 -1.093 1.00 0.00 C ATOM 1000 O TRP A 65 8.085 10.552 -1.647 1.00 0.00 O ATOM 1001 CB TRP A 65 6.443 8.650 0.464 1.00 0.00 C ATOM 1002 CG TRP A 65 6.142 10.069 0.840 1.00 0.00 C ATOM 1003 CD1 TRP A 65 5.839 11.095 -0.009 1.00 0.00 C ATOM 1004 CD2 TRP A 65 6.117 10.619 2.161 1.00 0.00 C ATOM 1005 NE1 TRP A 65 5.628 12.250 0.705 1.00 0.00 N ATOM 1006 CE2 TRP A 65 5.791 11.984 2.039 1.00 0.00 C ATOM 1007 CE3 TRP A 65 6.336 10.091 3.436 1.00 0.00 C ATOM 1008 CZ2 TRP A 65 5.681 12.825 3.143 1.00 0.00 C ATOM 1009 CZ3 TRP A 65 6.227 10.926 4.531 1.00 0.00 C ATOM 1010 CH2 TRP A 65 5.901 12.281 4.380 1.00 0.00 C ATOM 0 H TRP A 65 7.397 6.524 -0.351 1.00 0.00 H new ATOM 0 HA TRP A 65 6.289 8.768 -1.676 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.525 8.065 0.518 1.00 0.00 H new ATOM 0 HB3 TRP A 65 7.134 8.227 1.194 1.00 0.00 H new ATOM 0 HD1 TRP A 65 5.775 11.011 -1.084 1.00 0.00 H new ATOM 0 HE1 TRP A 65 5.389 13.158 0.306 1.00 0.00 H new ATOM 0 HE3 TRP A 65 6.586 9.048 3.563 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 5.431 13.869 3.028 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 6.396 10.528 5.521 1.00 0.00 H new ATOM 0 HH2 TRP A 65 5.822 12.908 5.256 1.00 0.00 H new ATOM 1021 N LYS A 66 9.387 9.044 -0.602 1.00 0.00 N ATOM 1022 CA LYS A 66 10.592 9.860 -0.690 1.00 0.00 C ATOM 1023 C LYS A 66 10.894 10.231 -2.139 1.00 0.00 C ATOM 1024 O LYS A 66 11.181 11.387 -2.446 1.00 0.00 O ATOM 1025 CB LYS A 66 11.784 9.113 -0.085 1.00 0.00 C ATOM 1026 CG LYS A 66 13.109 9.833 -0.268 1.00 0.00 C ATOM 1027 CD LYS A 66 13.161 11.118 0.542 1.00 0.00 C ATOM 1028 CE LYS A 66 14.387 11.948 0.191 1.00 0.00 C ATOM 1029 NZ LYS A 66 14.327 13.308 0.795 1.00 0.00 N ATOM 0 H LYS A 66 9.520 8.145 -0.139 1.00 0.00 H new ATOM 0 HA LYS A 66 10.421 10.777 -0.127 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.606 8.963 0.980 1.00 0.00 H new ATOM 0 HB3 LYS A 66 11.851 8.125 -0.539 1.00 0.00 H new ATOM 0 HG2 LYS A 66 13.925 9.177 0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 66 13.258 10.061 -1.324 1.00 0.00 H new ATOM 0 HD2 LYS A 66 12.260 11.702 0.358 1.00 0.00 H new ATOM 0 HD3 LYS A 66 13.174 10.879 1.605 1.00 0.00 H new ATOM 0 HE2 LYS A 66 15.284 11.436 0.538 1.00 0.00 H new ATOM 0 HE3 LYS A 66 14.469 12.035 -0.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 15.180 13.842 0.533 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 13.485 13.807 0.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 14.275 13.226 1.830 1.00 0.00 H new ATOM 1043 N ALA A 67 10.825 9.243 -3.025 1.00 0.00 N ATOM 1044 CA ALA A 67 11.087 9.467 -4.441 1.00 0.00 C ATOM 1045 C ALA A 67 10.321 10.681 -4.956 1.00 0.00 C ATOM 1046 O ALA A 67 10.780 11.380 -5.860 1.00 0.00 O ATOM 1047 CB ALA A 67 10.722 8.229 -5.248 1.00 0.00 C ATOM 0 H ALA A 67 10.590 8.279 -2.787 1.00 0.00 H new ATOM 0 HA ALA A 67 12.152 9.665 -4.561 1.00 0.00 H new ATOM 0 HB1 ALA A 67 10.923 8.411 -6.304 1.00 0.00 H new ATOM 0 HB2 ALA A 67 11.318 7.383 -4.906 1.00 0.00 H new ATOM 0 HB3 ALA A 67 9.664 8.006 -5.113 1.00 0.00 H new ATOM 1053 N LEU A 68 9.151 10.926 -4.375 1.00 0.00 N ATOM 1054 CA LEU A 68 8.320 12.056 -4.776 1.00 0.00 C ATOM 1055 C LEU A 68 8.719 13.320 -4.021 1.00 0.00 C ATOM 1056 O LEU A 68 7.890 13.954 -3.370 1.00 0.00 O ATOM 1057 CB LEU A 68 6.844 11.743 -4.525 1.00 0.00 C ATOM 1058 CG LEU A 68 6.327 10.430 -5.113 1.00 0.00 C ATOM 1059 CD1 LEU A 68 4.937 10.117 -4.582 1.00 0.00 C ATOM 1060 CD2 LEU A 68 6.317 10.493 -6.634 1.00 0.00 C ATOM 0 H LEU A 68 8.757 10.358 -3.625 1.00 0.00 H new ATOM 0 HA LEU A 68 8.473 12.228 -5.841 1.00 0.00 H new ATOM 0 HB2 LEU A 68 6.675 11.727 -3.448 1.00 0.00 H new ATOM 0 HB3 LEU A 68 6.246 12.560 -4.930 1.00 0.00 H new ATOM 0 HG LEU A 68 6.999 9.629 -4.807 1.00 0.00 H new ATOM 0 HD11 LEU A 68 4.586 9.179 -5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 68 4.974 10.027 -3.496 1.00 0.00 H new ATOM 0 HD13 LEU A 68 4.253 10.920 -4.857 1.00 0.00 H new ATOM 0 HD21 LEU A 68 5.946 9.550 -7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.668 11.306 -6.960 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.329 10.669 -6.998 1.00 0.00 H new ATOM 1072 N GLY A 69 9.995 13.682 -4.115 1.00 0.00 N ATOM 1073 CA GLY A 69 10.481 14.870 -3.438 1.00 0.00 C ATOM 1074 C GLY A 69 9.578 16.068 -3.649 1.00 0.00 C ATOM 1075 O GLY A 69 8.789 16.421 -2.772 1.00 0.00 O ATOM 0 H GLY A 69 10.701 13.174 -4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 69 10.566 14.667 -2.371 1.00 0.00 H new ATOM 0 HA3 GLY A 69 11.482 15.106 -3.798 1.00 0.00 H new ATOM 1079 N ASP A 70 9.693 16.696 -4.814 1.00 0.00 N ATOM 1080 CA ASP A 70 8.881 17.863 -5.137 1.00 0.00 C ATOM 1081 C ASP A 70 7.850 17.527 -6.210 1.00 0.00 C ATOM 1082 O ASP A 70 7.777 18.189 -7.245 1.00 0.00 O ATOM 1083 CB ASP A 70 9.769 19.015 -5.610 1.00 0.00 C ATOM 1084 CG ASP A 70 10.372 19.792 -4.456 1.00 0.00 C ATOM 1085 OD1 ASP A 70 9.630 20.556 -3.804 1.00 0.00 O ATOM 1086 OD2 ASP A 70 11.586 19.637 -4.205 1.00 0.00 O ATOM 0 H ASP A 70 10.341 16.416 -5.550 1.00 0.00 H new ATOM 0 HA ASP A 70 8.354 18.169 -4.233 1.00 0.00 H new ATOM 0 HB2 ASP A 70 10.569 18.620 -6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 70 9.182 19.691 -6.232 1.00 0.00 H new ATOM 1091 N SER A 71 7.055 16.492 -5.957 1.00 0.00 N ATOM 1092 CA SER A 71 6.031 16.064 -6.903 1.00 0.00 C ATOM 1093 C SER A 71 4.694 16.732 -6.595 1.00 0.00 C ATOM 1094 O SER A 71 4.185 16.641 -5.479 1.00 0.00 O ATOM 1095 CB SER A 71 5.875 14.543 -6.864 1.00 0.00 C ATOM 1096 OG SER A 71 7.138 13.901 -6.839 1.00 0.00 O ATOM 0 H SER A 71 7.100 15.934 -5.104 1.00 0.00 H new ATOM 0 HA SER A 71 6.346 16.364 -7.902 1.00 0.00 H new ATOM 0 HB2 SER A 71 5.300 14.256 -5.984 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.311 14.210 -7.735 1.00 0.00 H new ATOM 0 HG SER A 71 7.069 13.027 -7.277 1.00 0.00 H new ATOM 1102 N SER A 72 4.132 17.403 -7.595 1.00 0.00 N ATOM 1103 CA SER A 72 2.856 18.090 -7.432 1.00 0.00 C ATOM 1104 C SER A 72 1.800 17.148 -6.863 1.00 0.00 C ATOM 1105 O SER A 72 1.836 15.935 -7.072 1.00 0.00 O ATOM 1106 CB SER A 72 2.382 18.655 -8.773 1.00 0.00 C ATOM 1107 OG SER A 72 2.979 19.914 -9.035 1.00 0.00 O ATOM 0 H SER A 72 4.540 17.486 -8.526 1.00 0.00 H new ATOM 0 HA SER A 72 3.001 18.911 -6.730 1.00 0.00 H new ATOM 0 HB2 SER A 72 2.630 17.958 -9.573 1.00 0.00 H new ATOM 0 HB3 SER A 72 1.297 18.758 -8.765 1.00 0.00 H new ATOM 0 HG SER A 72 2.662 20.253 -9.898 1.00 0.00 H new ATOM 1113 N PRO A 73 0.836 17.717 -6.125 1.00 0.00 N ATOM 1114 CA PRO A 73 -0.249 16.947 -5.509 1.00 0.00 C ATOM 1115 C PRO A 73 -1.228 16.398 -6.542 1.00 0.00 C ATOM 1116 O PRO A 73 -1.536 15.207 -6.547 1.00 0.00 O ATOM 1117 CB PRO A 73 -0.943 17.970 -4.606 1.00 0.00 C ATOM 1118 CG PRO A 73 -0.638 19.290 -5.226 1.00 0.00 C ATOM 1119 CD PRO A 73 0.731 19.157 -5.834 1.00 0.00 C ATOM 0 HA PRO A 73 0.124 16.072 -4.976 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.018 17.793 -4.560 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -0.567 17.916 -3.584 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -1.378 19.545 -5.984 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -0.658 20.085 -4.481 1.00 0.00 H new ATOM 0 HD2 PRO A 73 0.829 19.758 -6.738 1.00 0.00 H new ATOM 0 HD3 PRO A 73 1.510 19.486 -5.146 1.00 0.00 H new ATOM 1127 N SER A 74 -1.714 17.275 -7.415 1.00 0.00 N ATOM 1128 CA SER A 74 -2.660 16.878 -8.451 1.00 0.00 C ATOM 1129 C SER A 74 -2.083 15.762 -9.316 1.00 0.00 C ATOM 1130 O SER A 74 -2.785 14.819 -9.678 1.00 0.00 O ATOM 1131 CB SER A 74 -3.025 18.080 -9.325 1.00 0.00 C ATOM 1132 OG SER A 74 -2.127 18.210 -10.413 1.00 0.00 O ATOM 0 H SER A 74 -1.468 18.265 -7.425 1.00 0.00 H new ATOM 0 HA SER A 74 -3.561 16.506 -7.963 1.00 0.00 H new ATOM 0 HB2 SER A 74 -4.042 17.965 -9.700 1.00 0.00 H new ATOM 0 HB3 SER A 74 -3.008 18.989 -8.724 1.00 0.00 H new ATOM 0 HG SER A 74 -2.382 18.984 -10.957 1.00 0.00 H new ATOM 1138 N GLN A 75 -0.800 15.878 -9.641 1.00 0.00 N ATOM 1139 CA GLN A 75 -0.128 14.879 -10.464 1.00 0.00 C ATOM 1140 C GLN A 75 -0.041 13.542 -9.735 1.00 0.00 C ATOM 1141 O GLN A 75 0.154 12.498 -10.355 1.00 0.00 O ATOM 1142 CB GLN A 75 1.274 15.359 -10.844 1.00 0.00 C ATOM 1143 CG GLN A 75 1.282 16.685 -11.587 1.00 0.00 C ATOM 1144 CD GLN A 75 2.621 16.983 -12.234 1.00 0.00 C ATOM 1145 OE1 GLN A 75 3.535 16.159 -12.204 1.00 0.00 O ATOM 1146 NE2 GLN A 75 2.743 18.167 -12.823 1.00 0.00 N ATOM 0 H GLN A 75 -0.205 16.653 -9.348 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.714 14.739 -11.372 1.00 0.00 H new ATOM 0 HB2 GLN A 75 1.874 15.455 -9.939 1.00 0.00 H new ATOM 0 HB3 GLN A 75 1.753 14.601 -11.464 1.00 0.00 H new ATOM 0 HG2 GLN A 75 0.507 16.672 -12.353 1.00 0.00 H new ATOM 0 HG3 GLN A 75 1.031 17.487 -10.893 1.00 0.00 H new ATOM 0 HE21 GLN A 75 1.959 18.819 -12.824 1.00 0.00 H new ATOM 0 HE22 GLN A 75 3.621 18.424 -13.275 1.00 0.00 H new ATOM 1155 N ALA A 76 -0.185 13.584 -8.415 1.00 0.00 N ATOM 1156 CA ALA A 76 -0.124 12.376 -7.601 1.00 0.00 C ATOM 1157 C ALA A 76 -1.519 11.821 -7.336 1.00 0.00 C ATOM 1158 O ALA A 76 -1.677 10.651 -6.992 1.00 0.00 O ATOM 1159 CB ALA A 76 0.592 12.659 -6.289 1.00 0.00 C ATOM 0 H ALA A 76 -0.345 14.441 -7.886 1.00 0.00 H new ATOM 0 HA ALA A 76 0.438 11.624 -8.154 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.630 11.748 -5.691 1.00 0.00 H new ATOM 0 HB2 ALA A 76 1.606 13.001 -6.494 1.00 0.00 H new ATOM 0 HB3 ALA A 76 0.053 13.431 -5.740 1.00 0.00 H new ATOM 1165 N MET A 77 -2.529 12.670 -7.498 1.00 0.00 N ATOM 1166 CA MET A 77 -3.912 12.264 -7.276 1.00 0.00 C ATOM 1167 C MET A 77 -4.515 11.673 -8.546 1.00 0.00 C ATOM 1168 O MET A 77 -5.277 10.708 -8.491 1.00 0.00 O ATOM 1169 CB MET A 77 -4.747 13.456 -6.807 1.00 0.00 C ATOM 1170 CG MET A 77 -4.383 13.943 -5.414 1.00 0.00 C ATOM 1171 SD MET A 77 -5.684 14.944 -4.666 1.00 0.00 S ATOM 1172 CE MET A 77 -4.856 16.526 -4.526 1.00 0.00 C ATOM 0 H MET A 77 -2.416 13.643 -7.782 1.00 0.00 H new ATOM 0 HA MET A 77 -3.920 11.498 -6.501 1.00 0.00 H new ATOM 0 HB2 MET A 77 -4.623 14.277 -7.514 1.00 0.00 H new ATOM 0 HB3 MET A 77 -5.801 13.179 -6.822 1.00 0.00 H new ATOM 0 HG2 MET A 77 -4.178 13.084 -4.775 1.00 0.00 H new ATOM 0 HG3 MET A 77 -3.465 14.528 -5.466 1.00 0.00 H new ATOM 0 HE1 MET A 77 -5.534 17.253 -4.079 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.972 16.420 -3.897 1.00 0.00 H new ATOM 0 HE3 MET A 77 -4.557 16.869 -5.516 1.00 0.00 H new ATOM 1182 N GLN A 78 -4.170 12.260 -9.688 1.00 0.00 N ATOM 1183 CA GLN A 78 -4.680 11.791 -10.972 1.00 0.00 C ATOM 1184 C GLN A 78 -4.397 10.304 -11.159 1.00 0.00 C ATOM 1185 O GLN A 78 -5.286 9.535 -11.522 1.00 0.00 O ATOM 1186 CB GLN A 78 -4.053 12.590 -12.115 1.00 0.00 C ATOM 1187 CG GLN A 78 -4.533 14.031 -12.186 1.00 0.00 C ATOM 1188 CD GLN A 78 -4.533 14.577 -13.600 1.00 0.00 C ATOM 1189 OE1 GLN A 78 -3.488 14.660 -14.246 1.00 0.00 O ATOM 1190 NE2 GLN A 78 -5.709 14.954 -14.089 1.00 0.00 N ATOM 0 H GLN A 78 -3.540 13.060 -9.751 1.00 0.00 H new ATOM 0 HA GLN A 78 -5.760 11.941 -10.983 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -2.969 12.582 -12.001 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -4.277 12.094 -13.059 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -5.541 14.095 -11.776 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -3.894 14.654 -11.560 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -6.550 14.868 -13.518 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -5.771 15.330 -15.035 1.00 0.00 H new ATOM 1199 N GLU A 79 -3.153 9.907 -10.910 1.00 0.00 N ATOM 1200 CA GLU A 79 -2.753 8.512 -11.053 1.00 0.00 C ATOM 1201 C GLU A 79 -3.263 7.677 -9.881 1.00 0.00 C ATOM 1202 O GLU A 79 -3.759 6.566 -10.067 1.00 0.00 O ATOM 1203 CB GLU A 79 -1.230 8.401 -11.148 1.00 0.00 C ATOM 1204 CG GLU A 79 -0.639 9.146 -12.333 1.00 0.00 C ATOM 1205 CD GLU A 79 0.876 9.210 -12.285 1.00 0.00 C ATOM 1206 OE1 GLU A 79 1.412 9.952 -11.436 1.00 0.00 O ATOM 1207 OE2 GLU A 79 1.524 8.517 -13.097 1.00 0.00 O ATOM 0 H GLU A 79 -2.405 10.532 -10.608 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.195 8.127 -11.972 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -0.788 8.787 -10.230 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.954 7.349 -11.217 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -0.949 8.657 -13.256 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -1.041 10.159 -12.358 1.00 0.00 H new ATOM 1214 N TYR A 80 -3.136 8.221 -8.676 1.00 0.00 N ATOM 1215 CA TYR A 80 -3.580 7.526 -7.474 1.00 0.00 C ATOM 1216 C TYR A 80 -5.024 7.056 -7.618 1.00 0.00 C ATOM 1217 O TYR A 80 -5.414 6.032 -7.056 1.00 0.00 O ATOM 1218 CB TYR A 80 -3.449 8.440 -6.254 1.00 0.00 C ATOM 1219 CG TYR A 80 -4.210 7.947 -5.044 1.00 0.00 C ATOM 1220 CD1 TYR A 80 -5.599 7.968 -5.017 1.00 0.00 C ATOM 1221 CD2 TYR A 80 -3.540 7.461 -3.928 1.00 0.00 C ATOM 1222 CE1 TYR A 80 -6.299 7.519 -3.913 1.00 0.00 C ATOM 1223 CE2 TYR A 80 -4.232 7.009 -2.820 1.00 0.00 C ATOM 1224 CZ TYR A 80 -5.611 7.040 -2.818 1.00 0.00 C ATOM 1225 OH TYR A 80 -6.303 6.592 -1.716 1.00 0.00 O ATOM 0 H TYR A 80 -2.729 9.141 -8.506 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.945 6.651 -7.335 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -2.395 8.537 -5.995 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -3.806 9.436 -6.516 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -6.141 8.342 -5.873 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -2.460 7.436 -3.926 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.379 7.543 -3.908 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -3.696 6.634 -1.961 1.00 0.00 H new ATOM 0 HH TYR A 80 -6.041 7.116 -0.930 1.00 0.00 H new ATOM 1235 N ILE A 81 -5.812 7.811 -8.377 1.00 0.00 N ATOM 1236 CA ILE A 81 -7.212 7.471 -8.597 1.00 0.00 C ATOM 1237 C ILE A 81 -7.363 6.478 -9.744 1.00 0.00 C ATOM 1238 O ILE A 81 -7.832 5.357 -9.550 1.00 0.00 O ATOM 1239 CB ILE A 81 -8.053 8.724 -8.905 1.00 0.00 C ATOM 1240 CG1 ILE A 81 -8.407 9.458 -7.609 1.00 0.00 C ATOM 1241 CG2 ILE A 81 -9.315 8.342 -9.665 1.00 0.00 C ATOM 1242 CD1 ILE A 81 -8.568 10.951 -7.785 1.00 0.00 C ATOM 0 H ILE A 81 -5.505 8.661 -8.849 1.00 0.00 H new ATOM 0 HA ILE A 81 -7.575 7.016 -7.675 1.00 0.00 H new ATOM 0 HB ILE A 81 -7.464 9.394 -9.531 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.333 9.046 -7.209 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -7.628 9.269 -6.870 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -9.899 9.238 -9.875 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -9.042 7.858 -10.603 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.909 7.655 -9.062 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.818 11.405 -6.826 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.635 11.376 -8.156 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.367 11.149 -8.500 1.00 0.00 H new ATOM 1254 N ALA A 82 -6.959 6.896 -10.939 1.00 0.00 N ATOM 1255 CA ALA A 82 -7.045 6.042 -12.117 1.00 0.00 C ATOM 1256 C ALA A 82 -6.842 4.576 -11.748 1.00 0.00 C ATOM 1257 O ALA A 82 -7.688 3.730 -12.038 1.00 0.00 O ATOM 1258 CB ALA A 82 -6.022 6.473 -13.158 1.00 0.00 C ATOM 0 H ALA A 82 -6.569 7.821 -11.117 1.00 0.00 H new ATOM 0 HA ALA A 82 -8.044 6.148 -12.540 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.098 5.826 -14.032 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.215 7.505 -13.452 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.020 6.397 -12.736 1.00 0.00 H new ATOM 1264 N VAL A 83 -5.715 4.283 -11.108 1.00 0.00 N ATOM 1265 CA VAL A 83 -5.401 2.919 -10.699 1.00 0.00 C ATOM 1266 C VAL A 83 -6.616 2.237 -10.080 1.00 0.00 C ATOM 1267 O VAL A 83 -7.057 1.186 -10.547 1.00 0.00 O ATOM 1268 CB VAL A 83 -4.239 2.889 -9.689 1.00 0.00 C ATOM 1269 CG1 VAL A 83 -4.476 3.895 -8.573 1.00 0.00 C ATOM 1270 CG2 VAL A 83 -4.059 1.488 -9.125 1.00 0.00 C ATOM 0 H VAL A 83 -5.004 4.972 -10.861 1.00 0.00 H new ATOM 0 HA VAL A 83 -5.104 2.380 -11.599 1.00 0.00 H new ATOM 0 HB VAL A 83 -3.322 3.167 -10.208 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -3.645 3.860 -7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -4.551 4.897 -8.996 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -5.402 3.650 -8.053 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.234 1.486 -8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -4.974 1.179 -8.620 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -3.840 0.794 -9.937 1.00 0.00 H new ATOM 1280 N VAL A 84 -7.154 2.842 -9.026 1.00 0.00 N ATOM 1281 CA VAL A 84 -8.320 2.295 -8.344 1.00 0.00 C ATOM 1282 C VAL A 84 -9.427 1.952 -9.335 1.00 0.00 C ATOM 1283 O VAL A 84 -10.270 1.095 -9.070 1.00 0.00 O ATOM 1284 CB VAL A 84 -8.871 3.280 -7.296 1.00 0.00 C ATOM 1285 CG1 VAL A 84 -7.732 4.001 -6.590 1.00 0.00 C ATOM 1286 CG2 VAL A 84 -9.821 4.274 -7.947 1.00 0.00 C ATOM 0 H VAL A 84 -6.801 3.711 -8.626 1.00 0.00 H new ATOM 0 HA VAL A 84 -7.993 1.385 -7.840 1.00 0.00 H new ATOM 0 HB VAL A 84 -9.429 2.715 -6.549 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -8.140 4.693 -5.853 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.095 3.272 -6.089 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -7.144 4.555 -7.321 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -10.201 4.962 -7.192 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.290 4.835 -8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -10.654 3.737 -8.401 1.00 0.00 H new ATOM 1296 N LYS A 85 -9.419 2.628 -10.479 1.00 0.00 N ATOM 1297 CA LYS A 85 -10.421 2.396 -11.512 1.00 0.00 C ATOM 1298 C LYS A 85 -10.066 1.170 -12.348 1.00 0.00 C ATOM 1299 O LYS A 85 -10.945 0.418 -12.771 1.00 0.00 O ATOM 1300 CB LYS A 85 -10.544 3.624 -12.417 1.00 0.00 C ATOM 1301 CG LYS A 85 -10.731 4.924 -11.655 1.00 0.00 C ATOM 1302 CD LYS A 85 -10.867 6.108 -12.597 1.00 0.00 C ATOM 1303 CE LYS A 85 -12.234 6.137 -13.263 1.00 0.00 C ATOM 1304 NZ LYS A 85 -13.232 6.886 -12.449 1.00 0.00 N ATOM 0 H LYS A 85 -8.729 3.341 -10.714 1.00 0.00 H new ATOM 0 HA LYS A 85 -11.378 2.216 -11.021 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -9.650 3.700 -13.035 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -11.388 3.484 -13.093 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -11.619 4.854 -11.027 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -9.882 5.082 -10.990 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -10.711 7.034 -12.044 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -10.090 6.058 -13.360 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -12.149 6.598 -14.247 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.584 5.116 -13.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -14.150 6.883 -12.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -13.332 6.432 -11.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -12.911 7.867 -12.322 1.00 0.00 H new ATOM 1318 N LYS A 86 -8.773 0.972 -12.581 1.00 0.00 N ATOM 1319 CA LYS A 86 -8.301 -0.165 -13.363 1.00 0.00 C ATOM 1320 C LYS A 86 -8.648 -1.481 -12.674 1.00 0.00 C ATOM 1321 O LYS A 86 -8.792 -2.516 -13.326 1.00 0.00 O ATOM 1322 CB LYS A 86 -6.789 -0.071 -13.575 1.00 0.00 C ATOM 1323 CG LYS A 86 -6.389 0.876 -14.693 1.00 0.00 C ATOM 1324 CD LYS A 86 -6.438 2.326 -14.240 1.00 0.00 C ATOM 1325 CE LYS A 86 -7.739 2.996 -14.652 1.00 0.00 C ATOM 1326 NZ LYS A 86 -7.853 3.122 -16.132 1.00 0.00 N ATOM 0 H LYS A 86 -8.033 1.585 -12.239 1.00 0.00 H new ATOM 0 HA LYS A 86 -8.800 -0.140 -14.332 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.320 0.257 -12.647 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.399 -1.065 -13.795 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -5.382 0.634 -15.033 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -7.055 0.737 -15.544 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -6.331 2.373 -13.156 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -5.596 2.870 -14.668 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -8.581 2.419 -14.271 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -7.798 3.985 -14.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -8.459 3.934 -16.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -6.908 3.266 -16.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -8.272 2.254 -16.523 1.00 0.00 H new ATOM 1340 N LEU A 87 -8.782 -1.435 -11.353 1.00 0.00 N ATOM 1341 CA LEU A 87 -9.114 -2.623 -10.575 1.00 0.00 C ATOM 1342 C LEU A 87 -10.624 -2.826 -10.508 1.00 0.00 C ATOM 1343 O LEU A 87 -11.124 -3.928 -10.737 1.00 0.00 O ATOM 1344 CB LEU A 87 -8.540 -2.509 -9.162 1.00 0.00 C ATOM 1345 CG LEU A 87 -7.219 -1.749 -9.034 1.00 0.00 C ATOM 1346 CD1 LEU A 87 -7.087 -1.141 -7.646 1.00 0.00 C ATOM 1347 CD2 LEU A 87 -6.043 -2.667 -9.331 1.00 0.00 C ATOM 0 H LEU A 87 -8.666 -0.587 -10.798 1.00 0.00 H new ATOM 0 HA LEU A 87 -8.672 -3.487 -11.071 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.280 -2.020 -8.529 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -8.397 -3.515 -8.767 1.00 0.00 H new ATOM 0 HG LEU A 87 -7.215 -0.941 -9.765 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.141 -0.604 -7.572 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -7.911 -0.450 -7.472 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -7.113 -1.933 -6.898 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -5.112 -2.108 -9.235 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -6.042 -3.498 -8.625 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -6.131 -3.054 -10.346 1.00 0.00 H new ATOM 1359 N ASP A 88 -11.346 -1.756 -10.195 1.00 0.00 N ATOM 1360 CA ASP A 88 -12.800 -1.815 -10.101 1.00 0.00 C ATOM 1361 C ASP A 88 -13.447 -0.787 -11.025 1.00 0.00 C ATOM 1362 O ASP A 88 -13.646 0.372 -10.661 1.00 0.00 O ATOM 1363 CB ASP A 88 -13.249 -1.577 -8.659 1.00 0.00 C ATOM 1364 CG ASP A 88 -14.759 -1.550 -8.519 1.00 0.00 C ATOM 1365 OD1 ASP A 88 -15.385 -2.624 -8.639 1.00 0.00 O ATOM 1366 OD2 ASP A 88 -15.314 -0.455 -8.289 1.00 0.00 O ATOM 0 H ASP A 88 -10.948 -0.837 -10.002 1.00 0.00 H new ATOM 0 HA ASP A 88 -13.119 -2.809 -10.413 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.842 -2.361 -8.021 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -12.837 -0.632 -8.305 1.00 0.00 H new ATOM 1371 N PRO A 89 -13.782 -1.220 -12.249 1.00 0.00 N ATOM 1372 CA PRO A 89 -14.411 -0.353 -13.250 1.00 0.00 C ATOM 1373 C PRO A 89 -15.843 0.015 -12.881 1.00 0.00 C ATOM 1374 O PRO A 89 -16.454 0.880 -13.508 1.00 0.00 O ATOM 1375 CB PRO A 89 -14.388 -1.205 -14.522 1.00 0.00 C ATOM 1376 CG PRO A 89 -14.357 -2.613 -14.034 1.00 0.00 C ATOM 1377 CD PRO A 89 -13.574 -2.589 -12.750 1.00 0.00 C ATOM 0 HA PRO A 89 -13.890 0.599 -13.349 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -15.267 -1.019 -15.139 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -13.515 -0.979 -15.134 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -15.366 -2.991 -13.869 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -13.886 -3.269 -14.766 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -13.938 -3.335 -12.043 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -12.518 -2.799 -12.919 1.00 0.00 H new ATOM 1385 N GLY A 90 -16.375 -0.648 -11.858 1.00 0.00 N ATOM 1386 CA GLY A 90 -17.733 -0.376 -11.423 1.00 0.00 C ATOM 1387 C GLY A 90 -17.781 0.508 -10.193 1.00 0.00 C ATOM 1388 O GLY A 90 -18.444 0.179 -9.210 1.00 0.00 O ATOM 0 H GLY A 90 -15.890 -1.368 -11.323 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -18.282 0.104 -12.233 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -18.239 -1.318 -11.210 1.00 0.00 H new ATOM 1392 N TRP A 91 -17.075 1.632 -10.246 1.00 0.00 N ATOM 1393 CA TRP A 91 -17.039 2.565 -9.126 1.00 0.00 C ATOM 1394 C TRP A 91 -17.617 3.918 -9.526 1.00 0.00 C ATOM 1395 O TRP A 91 -17.138 4.555 -10.463 1.00 0.00 O ATOM 1396 CB TRP A 91 -15.604 2.737 -8.625 1.00 0.00 C ATOM 1397 CG TRP A 91 -15.405 3.978 -7.808 1.00 0.00 C ATOM 1398 CD1 TRP A 91 -16.208 4.435 -6.802 1.00 0.00 C ATOM 1399 CD2 TRP A 91 -14.335 4.921 -7.929 1.00 0.00 C ATOM 1400 NE1 TRP A 91 -15.702 5.605 -6.291 1.00 0.00 N ATOM 1401 CE2 TRP A 91 -14.552 5.924 -6.964 1.00 0.00 C ATOM 1402 CE3 TRP A 91 -13.212 5.015 -8.756 1.00 0.00 C ATOM 1403 CZ2 TRP A 91 -13.689 7.006 -6.808 1.00 0.00 C ATOM 1404 CZ3 TRP A 91 -12.357 6.089 -8.600 1.00 0.00 C ATOM 1405 CH2 TRP A 91 -12.599 7.072 -7.632 1.00 0.00 C ATOM 0 H TRP A 91 -16.520 1.919 -11.052 1.00 0.00 H new ATOM 0 HA TRP A 91 -17.650 2.153 -8.322 1.00 0.00 H new ATOM 0 HB2 TRP A 91 -15.329 1.869 -8.026 1.00 0.00 H new ATOM 0 HB3 TRP A 91 -14.929 2.761 -9.480 1.00 0.00 H new ATOM 0 HD1 TRP A 91 -17.109 3.948 -6.459 1.00 0.00 H new ATOM 0 HE1 TRP A 91 -16.115 6.148 -5.533 1.00 0.00 H new ATOM 0 HE3 TRP A 91 -13.016 4.261 -9.504 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 -13.874 7.766 -6.063 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 -11.487 6.172 -9.235 1.00 0.00 H new ATOM 0 HH2 TRP A 91 -11.911 7.899 -7.534 1.00 0.00 H new