USER MOD reduce.3.24.130724 H: found=0, std=0, add=595, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 590 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 49 GLN : amide:sc= 0.334 K(o=0.57,f=-0.16) USER MOD Set 1.2: A 57 ASN :FLIP amide:sc= 0.235 F(o=-0.22,f=0.57) USER MOD Set 2.1: A 35 TYR OH : rot 150:sc= -0.775 USER MOD Set 2.2: A 39 HIS : no HE2:sc= -8! C(o=-8.8!,f=-13!) USER MOD Set 3.1: A 26 HIS : no HE2:sc= -0.935 K(o=-0.0088,f=-1.9) USER MOD Set 3.2: A 30 TYR OH : rot 75:sc= 0.926 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 15:sc= -1.1 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0886 USER MOD Single : A 13 GLN : amide:sc= -0.225 K(o=-0.22,f=-1.9!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HE2:sc= -5.19 X(o=-5.2,f=-5.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot -42:sc= 0.928 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 124:sc= 1.77 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot 60:sc= 0.173 USER MOD Single : A 63 HIS : no HE2:sc= -16! C(o=-16!,f=-21!) USER MOD Single : A 64 SER OG : rot 127:sc= 0.225 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 150:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= -0.0858 USER MOD Single : A 80 HIS : no HD1:sc= -0.497 X(o=-0.5,f=-0.24) USER MOD ----------------------------------------------------------------- ATOM 17 N LYS A 5 2.824 2.868 -8.722 1.00 0.00 N ATOM 18 CA LYS A 5 1.984 4.035 -8.935 1.00 0.00 C ATOM 19 C LYS A 5 2.170 4.537 -10.368 1.00 0.00 C ATOM 20 O LYS A 5 3.282 4.875 -10.772 1.00 0.00 O ATOM 21 CB LYS A 5 2.265 5.097 -7.869 1.00 0.00 C ATOM 22 CG LYS A 5 1.299 4.959 -6.691 1.00 0.00 C ATOM 23 CD LYS A 5 0.136 5.946 -6.816 1.00 0.00 C ATOM 24 CE LYS A 5 -0.884 5.465 -7.850 1.00 0.00 C ATOM 25 NZ LYS A 5 -2.027 6.401 -7.925 1.00 0.00 N ATOM 0 HA LYS A 5 0.932 3.774 -8.823 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.292 5.000 -7.516 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.171 6.091 -8.307 1.00 0.00 H new ATOM 0 HG2 LYS A 5 0.913 3.940 -6.650 1.00 0.00 H new ATOM 0 HG3 LYS A 5 1.832 5.136 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -0.351 6.064 -5.848 1.00 0.00 H new ATOM 0 HD3 LYS A 5 0.516 6.926 -7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -0.409 5.383 -8.827 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -1.239 4.469 -7.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.710 6.059 -8.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -2.490 6.459 -6.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -1.686 7.344 -8.201 1.00 0.00 H new ATOM 39 N TYR A 6 1.065 4.571 -11.097 1.00 0.00 N ATOM 40 CA TYR A 6 1.092 5.026 -12.477 1.00 0.00 C ATOM 41 C TYR A 6 0.592 6.468 -12.588 1.00 0.00 C ATOM 42 O TYR A 6 -0.597 6.731 -12.416 1.00 0.00 O ATOM 43 CB TYR A 6 0.138 4.108 -13.243 1.00 0.00 C ATOM 44 CG TYR A 6 0.553 2.635 -13.237 1.00 0.00 C ATOM 45 CD1 TYR A 6 1.826 2.276 -13.628 1.00 0.00 C ATOM 46 CD2 TYR A 6 -0.347 1.667 -12.840 1.00 0.00 C ATOM 47 CE1 TYR A 6 2.216 0.889 -13.622 1.00 0.00 C ATOM 48 CE2 TYR A 6 0.044 0.281 -12.835 1.00 0.00 C ATOM 49 CZ TYR A 6 1.306 -0.039 -13.226 1.00 0.00 C ATOM 50 OH TYR A 6 1.675 -1.349 -13.220 1.00 0.00 O ATOM 0 H TYR A 6 0.145 4.291 -10.758 1.00 0.00 H new ATOM 0 HA TYR A 6 2.108 4.996 -12.871 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -0.859 4.196 -12.811 1.00 0.00 H new ATOM 0 HB3 TYR A 6 0.070 4.452 -14.275 1.00 0.00 H new ATOM 0 HD1 TYR A 6 2.530 3.034 -13.938 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.344 1.949 -12.533 1.00 0.00 H new ATOM 0 HE1 TYR A 6 3.209 0.594 -13.925 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -0.650 -0.487 -12.527 1.00 0.00 H new ATOM 0 HH TYR A 6 0.924 -1.899 -12.913 1.00 0.00 H new ATOM 60 N TYR A 7 1.526 7.364 -12.874 1.00 0.00 N ATOM 61 CA TYR A 7 1.195 8.772 -13.011 1.00 0.00 C ATOM 62 C TYR A 7 1.006 9.152 -14.481 1.00 0.00 C ATOM 63 O TYR A 7 1.605 8.540 -15.365 1.00 0.00 O ATOM 64 CB TYR A 7 2.390 9.542 -12.446 1.00 0.00 C ATOM 65 CG TYR A 7 2.880 9.026 -11.092 1.00 0.00 C ATOM 66 CD1 TYR A 7 1.999 8.912 -10.037 1.00 0.00 C ATOM 67 CD2 TYR A 7 4.205 8.674 -10.926 1.00 0.00 C ATOM 68 CE1 TYR A 7 2.460 8.426 -8.763 1.00 0.00 C ATOM 69 CE2 TYR A 7 4.667 8.189 -9.652 1.00 0.00 C ATOM 70 CZ TYR A 7 3.771 8.088 -8.633 1.00 0.00 C ATOM 71 OH TYR A 7 4.208 7.629 -7.429 1.00 0.00 O ATOM 0 H TYR A 7 2.512 7.142 -13.014 1.00 0.00 H new ATOM 0 HA TYR A 7 0.266 9.000 -12.489 1.00 0.00 H new ATOM 0 HB2 TYR A 7 3.211 9.493 -13.161 1.00 0.00 H new ATOM 0 HB3 TYR A 7 2.117 10.593 -12.346 1.00 0.00 H new ATOM 0 HD1 TYR A 7 0.963 9.187 -10.167 1.00 0.00 H new ATOM 0 HD2 TYR A 7 4.895 8.763 -11.752 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.780 8.332 -7.929 1.00 0.00 H new ATOM 0 HE2 TYR A 7 5.701 7.912 -9.508 1.00 0.00 H new ATOM 0 HH TYR A 7 3.439 7.384 -6.873 1.00 0.00 H new ATOM 81 N THR A 8 0.173 10.158 -14.697 1.00 0.00 N ATOM 82 CA THR A 8 -0.102 10.627 -16.045 1.00 0.00 C ATOM 83 C THR A 8 0.977 11.613 -16.496 1.00 0.00 C ATOM 84 O THR A 8 1.547 12.333 -15.678 1.00 0.00 O ATOM 85 CB THR A 8 -1.512 11.219 -16.061 1.00 0.00 C ATOM 86 OG1 THR A 8 -1.610 11.918 -14.823 1.00 0.00 O ATOM 87 CG2 THR A 8 -2.599 10.145 -15.970 1.00 0.00 C ATOM 0 H THR A 8 -0.321 10.662 -13.961 1.00 0.00 H new ATOM 0 HA THR A 8 -0.070 9.808 -16.764 1.00 0.00 H new ATOM 0 HB THR A 8 -1.651 11.800 -16.973 1.00 0.00 H new ATOM 0 HG1 THR A 8 -2.494 12.335 -14.752 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.581 10.619 -15.985 1.00 0.00 H new ATOM 0 HG22 THR A 8 -2.511 9.465 -16.818 1.00 0.00 H new ATOM 0 HG23 THR A 8 -2.481 9.585 -15.042 1.00 0.00 H new ATOM 95 N LEU A 9 1.224 11.615 -17.798 1.00 0.00 N ATOM 96 CA LEU A 9 2.223 12.502 -18.369 1.00 0.00 C ATOM 97 C LEU A 9 1.927 13.940 -17.940 1.00 0.00 C ATOM 98 O LEU A 9 2.802 14.802 -18.003 1.00 0.00 O ATOM 99 CB LEU A 9 2.301 12.316 -19.886 1.00 0.00 C ATOM 100 CG LEU A 9 1.223 13.028 -20.705 1.00 0.00 C ATOM 101 CD1 LEU A 9 1.474 12.859 -22.205 1.00 0.00 C ATOM 102 CD2 LEU A 9 -0.175 12.555 -20.301 1.00 0.00 C ATOM 0 H LEU A 9 0.749 11.016 -18.474 1.00 0.00 H new ATOM 0 HA LEU A 9 3.214 12.254 -17.990 1.00 0.00 H new ATOM 0 HB2 LEU A 9 3.276 12.665 -20.225 1.00 0.00 H new ATOM 0 HB3 LEU A 9 2.250 11.249 -20.104 1.00 0.00 H new ATOM 0 HG LEU A 9 1.277 14.095 -20.487 1.00 0.00 H new ATOM 0 HD11 LEU A 9 0.694 13.374 -22.765 1.00 0.00 H new ATOM 0 HD12 LEU A 9 2.445 13.283 -22.461 1.00 0.00 H new ATOM 0 HD13 LEU A 9 1.463 11.799 -22.459 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.922 13.077 -20.898 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -0.259 11.482 -20.471 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -0.341 12.769 -19.245 1.00 0.00 H new ATOM 114 N GLU A 10 0.691 14.155 -17.515 1.00 0.00 N ATOM 115 CA GLU A 10 0.269 15.474 -17.076 1.00 0.00 C ATOM 116 C GLU A 10 1.052 15.895 -15.830 1.00 0.00 C ATOM 117 O GLU A 10 1.413 17.062 -15.685 1.00 0.00 O ATOM 118 CB GLU A 10 -1.238 15.509 -16.813 1.00 0.00 C ATOM 119 CG GLU A 10 -1.967 16.287 -17.911 1.00 0.00 C ATOM 120 CD GLU A 10 -3.381 15.742 -18.121 1.00 0.00 C ATOM 121 OE1 GLU A 10 -3.483 14.555 -18.499 1.00 0.00 O ATOM 122 OE2 GLU A 10 -4.330 16.525 -17.900 1.00 0.00 O ATOM 0 H GLU A 10 -0.032 13.437 -17.465 1.00 0.00 H new ATOM 0 HA GLU A 10 0.482 16.186 -17.874 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.626 14.492 -16.764 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -1.431 15.971 -15.845 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -2.016 17.342 -17.643 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.406 16.221 -18.843 1.00 0.00 H new ATOM 129 N GLU A 11 1.291 14.921 -14.964 1.00 0.00 N ATOM 130 CA GLU A 11 2.025 15.176 -13.736 1.00 0.00 C ATOM 131 C GLU A 11 3.413 15.734 -14.053 1.00 0.00 C ATOM 132 O GLU A 11 3.668 16.923 -13.861 1.00 0.00 O ATOM 133 CB GLU A 11 2.124 13.909 -12.884 1.00 0.00 C ATOM 134 CG GLU A 11 1.381 14.080 -11.557 1.00 0.00 C ATOM 135 CD GLU A 11 0.087 13.263 -11.545 1.00 0.00 C ATOM 136 OE1 GLU A 11 -0.828 13.638 -12.310 1.00 0.00 O ATOM 137 OE2 GLU A 11 0.043 12.282 -10.772 1.00 0.00 O ATOM 0 H GLU A 11 0.990 13.955 -15.088 1.00 0.00 H new ATOM 0 HA GLU A 11 1.479 15.922 -13.158 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.707 13.064 -13.432 1.00 0.00 H new ATOM 0 HB3 GLU A 11 3.171 13.677 -12.691 1.00 0.00 H new ATOM 0 HG2 GLU A 11 2.022 13.765 -10.734 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.152 15.134 -11.397 1.00 0.00 H new ATOM 144 N ILE A 12 4.276 14.850 -14.533 1.00 0.00 N ATOM 145 CA ILE A 12 5.632 15.241 -14.879 1.00 0.00 C ATOM 146 C ILE A 12 5.621 16.661 -15.446 1.00 0.00 C ATOM 147 O ILE A 12 6.461 17.484 -15.085 1.00 0.00 O ATOM 148 CB ILE A 12 6.264 14.208 -15.816 1.00 0.00 C ATOM 149 CG1 ILE A 12 5.189 13.416 -16.564 1.00 0.00 C ATOM 150 CG2 ILE A 12 7.226 13.293 -15.056 1.00 0.00 C ATOM 151 CD1 ILE A 12 4.905 12.084 -15.868 1.00 0.00 C ATOM 0 H ILE A 12 4.062 13.865 -14.690 1.00 0.00 H new ATOM 0 HA ILE A 12 6.262 15.259 -13.990 1.00 0.00 H new ATOM 0 HB ILE A 12 6.851 14.740 -16.564 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.273 14.004 -16.620 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.514 13.233 -17.588 1.00 0.00 H new ATOM 0 HG21 ILE A 12 7.661 12.569 -15.745 1.00 0.00 H new ATOM 0 HG22 ILE A 12 8.020 13.891 -14.609 1.00 0.00 H new ATOM 0 HG23 ILE A 12 6.683 12.766 -14.271 1.00 0.00 H new ATOM 0 HD11 ILE A 12 4.138 11.541 -16.420 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.818 11.489 -15.835 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.557 12.271 -14.852 1.00 0.00 H new ATOM 163 N GLN A 13 4.661 16.905 -16.327 1.00 0.00 N ATOM 164 CA GLN A 13 4.530 18.211 -16.948 1.00 0.00 C ATOM 165 C GLN A 13 4.397 19.298 -15.878 1.00 0.00 C ATOM 166 O GLN A 13 5.365 19.992 -15.570 1.00 0.00 O ATOM 167 CB GLN A 13 3.342 18.244 -17.913 1.00 0.00 C ATOM 168 CG GLN A 13 3.712 17.619 -19.259 1.00 0.00 C ATOM 169 CD GLN A 13 4.166 18.689 -20.254 1.00 0.00 C ATOM 170 OE1 GLN A 13 3.793 19.848 -20.172 1.00 0.00 O ATOM 171 NE2 GLN A 13 4.990 18.238 -21.196 1.00 0.00 N ATOM 0 H GLN A 13 3.967 16.220 -16.625 1.00 0.00 H new ATOM 0 HA GLN A 13 5.432 18.407 -17.527 1.00 0.00 H new ATOM 0 HB2 GLN A 13 2.500 17.706 -17.477 1.00 0.00 H new ATOM 0 HB3 GLN A 13 3.019 19.274 -18.063 1.00 0.00 H new ATOM 0 HG2 GLN A 13 4.508 16.888 -19.118 1.00 0.00 H new ATOM 0 HG3 GLN A 13 2.854 17.082 -19.663 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.263 17.255 -21.207 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.349 18.875 -21.907 1.00 0.00 H new ATOM 180 N LYS A 14 3.192 19.409 -15.341 1.00 0.00 N ATOM 181 CA LYS A 14 2.919 20.399 -14.311 1.00 0.00 C ATOM 182 C LYS A 14 4.020 20.338 -13.250 1.00 0.00 C ATOM 183 O LYS A 14 4.266 21.320 -12.551 1.00 0.00 O ATOM 184 CB LYS A 14 1.510 20.211 -13.748 1.00 0.00 C ATOM 185 CG LYS A 14 1.327 18.799 -13.186 1.00 0.00 C ATOM 186 CD LYS A 14 -0.156 18.431 -13.100 1.00 0.00 C ATOM 187 CE LYS A 14 -0.423 17.511 -11.908 1.00 0.00 C ATOM 188 NZ LYS A 14 -1.185 18.229 -10.861 1.00 0.00 N ATOM 0 H LYS A 14 2.393 18.830 -15.599 1.00 0.00 H new ATOM 0 HA LYS A 14 2.936 21.404 -14.732 1.00 0.00 H new ATOM 0 HB2 LYS A 14 1.327 20.945 -12.963 1.00 0.00 H new ATOM 0 HB3 LYS A 14 0.774 20.392 -14.532 1.00 0.00 H new ATOM 0 HG2 LYS A 14 1.847 18.081 -13.820 1.00 0.00 H new ATOM 0 HG3 LYS A 14 1.779 18.736 -12.196 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.755 19.337 -13.006 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -0.466 17.938 -14.021 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.981 16.634 -12.236 1.00 0.00 H new ATOM 0 HE3 LYS A 14 0.522 17.153 -11.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.358 17.591 -10.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.638 19.052 -10.537 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -2.094 18.549 -11.251 1.00 0.00 H new ATOM 202 N HIS A 15 4.652 19.177 -13.163 1.00 0.00 N ATOM 203 CA HIS A 15 5.719 18.977 -12.199 1.00 0.00 C ATOM 204 C HIS A 15 7.070 19.259 -12.861 1.00 0.00 C ATOM 205 O HIS A 15 8.026 18.509 -12.674 1.00 0.00 O ATOM 206 CB HIS A 15 5.642 17.577 -11.584 1.00 0.00 C ATOM 207 CG HIS A 15 4.368 17.314 -10.816 1.00 0.00 C ATOM 208 ND1 HIS A 15 3.936 18.123 -9.781 1.00 0.00 N ATOM 209 CD2 HIS A 15 3.439 16.324 -10.946 1.00 0.00 C ATOM 210 CE1 HIS A 15 2.798 17.632 -9.314 1.00 0.00 C ATOM 211 NE2 HIS A 15 2.492 16.517 -10.037 1.00 0.00 N ATOM 0 H HIS A 15 4.445 18.365 -13.745 1.00 0.00 H new ATOM 0 HA HIS A 15 5.603 19.680 -11.374 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.735 16.836 -12.378 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.492 17.437 -10.917 1.00 0.00 H new ATOM 0 HD1 HIS A 15 4.413 18.956 -9.436 1.00 0.00 H new ATOM 0 HD2 HIS A 15 3.469 15.520 -11.666 1.00 0.00 H new ATOM 0 HE1 HIS A 15 2.215 18.043 -8.503 1.00 0.00 H new ATOM 219 N LYS A 16 7.104 20.344 -13.621 1.00 0.00 N ATOM 220 CA LYS A 16 8.321 20.735 -14.313 1.00 0.00 C ATOM 221 C LYS A 16 8.881 22.006 -13.671 1.00 0.00 C ATOM 222 O LYS A 16 9.475 22.839 -14.352 1.00 0.00 O ATOM 223 CB LYS A 16 8.064 20.866 -15.816 1.00 0.00 C ATOM 224 CG LYS A 16 9.377 21.034 -16.583 1.00 0.00 C ATOM 225 CD LYS A 16 9.147 20.930 -18.093 1.00 0.00 C ATOM 226 CE LYS A 16 8.985 22.315 -18.720 1.00 0.00 C ATOM 227 NZ LYS A 16 10.149 22.634 -19.577 1.00 0.00 N ATOM 0 H LYS A 16 6.309 20.964 -13.773 1.00 0.00 H new ATOM 0 HA LYS A 16 9.083 19.963 -14.210 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.538 19.982 -16.177 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.416 21.722 -16.005 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.820 22.001 -16.345 1.00 0.00 H new ATOM 0 HG3 LYS A 16 10.088 20.271 -16.266 1.00 0.00 H new ATOM 0 HD2 LYS A 16 9.987 20.413 -18.557 1.00 0.00 H new ATOM 0 HD3 LYS A 16 8.257 20.332 -18.288 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.070 22.348 -19.312 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.886 23.066 -17.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 10.024 23.578 -19.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 11.016 22.622 -19.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 10.226 21.927 -20.335 1.00 0.00 H new ATOM 241 N ASP A 17 8.672 22.112 -12.367 1.00 0.00 N ATOM 242 CA ASP A 17 9.150 23.267 -11.626 1.00 0.00 C ATOM 243 C ASP A 17 9.923 22.793 -10.393 1.00 0.00 C ATOM 244 O ASP A 17 9.785 21.645 -9.973 1.00 0.00 O ATOM 245 CB ASP A 17 7.984 24.134 -11.146 1.00 0.00 C ATOM 246 CG ASP A 17 8.191 25.642 -11.306 1.00 0.00 C ATOM 247 OD1 ASP A 17 8.839 26.224 -10.409 1.00 0.00 O ATOM 248 OD2 ASP A 17 7.697 26.179 -12.321 1.00 0.00 O ATOM 0 H ASP A 17 8.179 21.418 -11.805 1.00 0.00 H new ATOM 0 HA ASP A 17 9.787 23.852 -12.289 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.087 23.845 -11.694 1.00 0.00 H new ATOM 0 HB3 ASP A 17 7.799 23.917 -10.094 1.00 0.00 H new ATOM 253 N SER A 18 10.720 23.701 -9.849 1.00 0.00 N ATOM 254 CA SER A 18 11.516 23.390 -8.673 1.00 0.00 C ATOM 255 C SER A 18 10.646 22.697 -7.622 1.00 0.00 C ATOM 256 O SER A 18 11.017 21.647 -7.098 1.00 0.00 O ATOM 257 CB SER A 18 12.152 24.652 -8.088 1.00 0.00 C ATOM 258 OG SER A 18 13.430 24.390 -7.516 1.00 0.00 O ATOM 0 H SER A 18 10.832 24.652 -10.201 1.00 0.00 H new ATOM 0 HA SER A 18 12.320 22.717 -8.972 1.00 0.00 H new ATOM 0 HB2 SER A 18 12.253 25.404 -8.871 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.493 25.071 -7.327 1.00 0.00 H new ATOM 0 HG SER A 18 13.803 25.221 -7.155 1.00 0.00 H new ATOM 264 N LYS A 19 9.507 23.312 -7.344 1.00 0.00 N ATOM 265 CA LYS A 19 8.582 22.768 -6.364 1.00 0.00 C ATOM 266 C LYS A 19 8.534 21.246 -6.505 1.00 0.00 C ATOM 267 O LYS A 19 8.829 20.522 -5.555 1.00 0.00 O ATOM 268 CB LYS A 19 7.213 23.441 -6.487 1.00 0.00 C ATOM 269 CG LYS A 19 7.183 24.768 -5.726 1.00 0.00 C ATOM 270 CD LYS A 19 7.691 25.914 -6.604 1.00 0.00 C ATOM 271 CE LYS A 19 7.289 27.270 -6.020 1.00 0.00 C ATOM 272 NZ LYS A 19 7.887 28.371 -6.808 1.00 0.00 N ATOM 0 H LYS A 19 9.203 24.182 -7.780 1.00 0.00 H new ATOM 0 HA LYS A 19 8.927 22.984 -5.353 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.983 23.615 -7.538 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.441 22.777 -6.098 1.00 0.00 H new ATOM 0 HG2 LYS A 19 6.166 24.980 -5.397 1.00 0.00 H new ATOM 0 HG3 LYS A 19 7.798 24.691 -4.829 1.00 0.00 H new ATOM 0 HD2 LYS A 19 8.776 25.858 -6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 19 7.286 25.813 -7.611 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.203 27.364 -6.018 1.00 0.00 H new ATOM 0 HE3 LYS A 19 7.617 27.338 -4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 7.604 29.284 -6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 8.924 28.289 -6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 7.554 28.315 -7.792 1.00 0.00 H new ATOM 286 N SER A 20 8.161 20.805 -7.697 1.00 0.00 N ATOM 287 CA SER A 20 8.070 19.382 -7.975 1.00 0.00 C ATOM 288 C SER A 20 8.693 19.074 -9.337 1.00 0.00 C ATOM 289 O SER A 20 8.037 19.214 -10.369 1.00 0.00 O ATOM 290 CB SER A 20 6.617 18.904 -7.934 1.00 0.00 C ATOM 291 OG SER A 20 6.120 18.820 -6.601 1.00 0.00 O ATOM 0 H SER A 20 7.918 21.409 -8.482 1.00 0.00 H new ATOM 0 HA SER A 20 8.621 18.847 -7.202 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.994 19.588 -8.511 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.543 17.927 -8.411 1.00 0.00 H new ATOM 0 HG SER A 20 5.189 18.513 -6.618 1.00 0.00 H new ATOM 297 N THR A 21 9.950 18.660 -9.298 1.00 0.00 N ATOM 298 CA THR A 21 10.669 18.331 -10.518 1.00 0.00 C ATOM 299 C THR A 21 10.740 16.814 -10.702 1.00 0.00 C ATOM 300 O THR A 21 11.443 16.128 -9.960 1.00 0.00 O ATOM 301 CB THR A 21 12.043 19.002 -10.453 1.00 0.00 C ATOM 302 OG1 THR A 21 11.776 20.287 -9.901 1.00 0.00 O ATOM 303 CG2 THR A 21 12.614 19.303 -11.840 1.00 0.00 C ATOM 0 H THR A 21 10.490 18.544 -8.441 1.00 0.00 H new ATOM 0 HA THR A 21 10.149 18.709 -11.398 1.00 0.00 H new ATOM 0 HB THR A 21 12.735 18.360 -9.908 1.00 0.00 H new ATOM 0 HG1 THR A 21 10.965 20.656 -10.309 1.00 0.00 H new ATOM 0 HG21 THR A 21 13.589 19.778 -11.737 1.00 0.00 H new ATOM 0 HG22 THR A 21 12.721 18.373 -12.399 1.00 0.00 H new ATOM 0 HG23 THR A 21 11.939 19.972 -12.374 1.00 0.00 H new ATOM 311 N TRP A 22 10.005 16.335 -11.694 1.00 0.00 N ATOM 312 CA TRP A 22 9.977 14.911 -11.984 1.00 0.00 C ATOM 313 C TRP A 22 10.728 14.682 -13.298 1.00 0.00 C ATOM 314 O TRP A 22 10.943 15.619 -14.066 1.00 0.00 O ATOM 315 CB TRP A 22 8.541 14.387 -12.018 1.00 0.00 C ATOM 316 CG TRP A 22 8.009 13.941 -10.654 1.00 0.00 C ATOM 317 CD1 TRP A 22 8.516 14.209 -9.443 1.00 0.00 C ATOM 318 CD2 TRP A 22 6.838 13.133 -10.411 1.00 0.00 C ATOM 319 NE1 TRP A 22 7.761 13.634 -8.441 1.00 0.00 N ATOM 320 CE2 TRP A 22 6.709 12.960 -9.048 1.00 0.00 C ATOM 321 CE3 TRP A 22 5.920 12.567 -11.311 1.00 0.00 C ATOM 322 CZ2 TRP A 22 5.672 12.221 -8.464 1.00 0.00 C ATOM 323 CZ3 TRP A 22 4.889 11.832 -10.712 1.00 0.00 C ATOM 324 CH2 TRP A 22 4.745 11.648 -9.342 1.00 0.00 C ATOM 0 H TRP A 22 9.424 16.907 -12.307 1.00 0.00 H new ATOM 0 HA TRP A 22 10.474 14.347 -11.195 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.890 15.167 -12.413 1.00 0.00 H new ATOM 0 HB3 TRP A 22 8.488 13.546 -12.710 1.00 0.00 H new ATOM 0 HD1 TRP A 22 9.403 14.800 -9.273 1.00 0.00 H new ATOM 0 HE1 TRP A 22 7.942 13.693 -7.439 1.00 0.00 H new ATOM 0 HE3 TRP A 22 6.003 12.689 -12.381 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 5.592 12.100 -7.394 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 4.155 11.377 -11.360 1.00 0.00 H new ATOM 0 HH2 TRP A 22 3.921 11.065 -8.957 1.00 0.00 H new ATOM 335 N VAL A 23 11.107 13.431 -13.515 1.00 0.00 N ATOM 336 CA VAL A 23 11.829 13.067 -14.722 1.00 0.00 C ATOM 337 C VAL A 23 11.577 11.591 -15.036 1.00 0.00 C ATOM 338 O VAL A 23 11.898 10.717 -14.232 1.00 0.00 O ATOM 339 CB VAL A 23 13.315 13.399 -14.563 1.00 0.00 C ATOM 340 CG1 VAL A 23 13.947 12.562 -13.449 1.00 0.00 C ATOM 341 CG2 VAL A 23 14.063 13.208 -15.883 1.00 0.00 C ATOM 0 H VAL A 23 10.928 12.657 -12.875 1.00 0.00 H new ATOM 0 HA VAL A 23 11.469 13.647 -15.572 1.00 0.00 H new ATOM 0 HB VAL A 23 13.396 14.449 -14.281 1.00 0.00 H new ATOM 0 HG11 VAL A 23 15.003 12.817 -13.357 1.00 0.00 H new ATOM 0 HG12 VAL A 23 13.440 12.768 -12.506 1.00 0.00 H new ATOM 0 HG13 VAL A 23 13.849 11.503 -13.689 1.00 0.00 H new ATOM 0 HG21 VAL A 23 15.116 13.450 -15.743 1.00 0.00 H new ATOM 0 HG22 VAL A 23 13.969 12.172 -16.208 1.00 0.00 H new ATOM 0 HG23 VAL A 23 13.637 13.866 -16.641 1.00 0.00 H new ATOM 351 N ILE A 24 11.004 11.358 -16.208 1.00 0.00 N ATOM 352 CA ILE A 24 10.705 10.003 -16.638 1.00 0.00 C ATOM 353 C ILE A 24 12.012 9.267 -16.936 1.00 0.00 C ATOM 354 O ILE A 24 12.723 9.612 -17.879 1.00 0.00 O ATOM 355 CB ILE A 24 9.726 10.019 -17.815 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.438 10.758 -17.447 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.449 8.600 -18.317 1.00 0.00 C ATOM 358 CD1 ILE A 24 7.769 11.348 -18.691 1.00 0.00 C ATOM 0 H ILE A 24 10.739 12.085 -16.873 1.00 0.00 H new ATOM 0 HA ILE A 24 10.203 9.452 -15.842 1.00 0.00 H new ATOM 0 HB ILE A 24 10.188 10.567 -18.636 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.751 10.073 -16.951 1.00 0.00 H new ATOM 0 HG13 ILE A 24 8.662 11.555 -16.738 1.00 0.00 H new ATOM 0 HG21 ILE A 24 8.751 8.640 -19.153 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.382 8.141 -18.645 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.017 8.007 -17.511 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.856 11.868 -18.401 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.450 12.051 -19.171 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.524 10.546 -19.388 1.00 0.00 H new ATOM 370 N LEU A 25 12.290 8.264 -16.115 1.00 0.00 N ATOM 371 CA LEU A 25 13.499 7.476 -16.278 1.00 0.00 C ATOM 372 C LEU A 25 13.122 6.005 -16.463 1.00 0.00 C ATOM 373 O LEU A 25 12.566 5.384 -15.557 1.00 0.00 O ATOM 374 CB LEU A 25 14.461 7.723 -15.113 1.00 0.00 C ATOM 375 CG LEU A 25 15.677 8.600 -15.424 1.00 0.00 C ATOM 376 CD1 LEU A 25 15.268 9.846 -16.210 1.00 0.00 C ATOM 377 CD2 LEU A 25 16.438 8.953 -14.143 1.00 0.00 C ATOM 0 H LEU A 25 11.698 7.980 -15.335 1.00 0.00 H new ATOM 0 HA LEU A 25 14.036 7.783 -17.175 1.00 0.00 H new ATOM 0 HB2 LEU A 25 13.903 8.185 -14.298 1.00 0.00 H new ATOM 0 HB3 LEU A 25 14.816 6.759 -14.750 1.00 0.00 H new ATOM 0 HG LEU A 25 16.357 8.030 -16.057 1.00 0.00 H new ATOM 0 HD11 LEU A 25 16.150 10.451 -16.418 1.00 0.00 H new ATOM 0 HD12 LEU A 25 14.804 9.547 -17.150 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.558 10.429 -15.624 1.00 0.00 H new ATOM 0 HD21 LEU A 25 17.297 9.576 -14.390 1.00 0.00 H new ATOM 0 HD22 LEU A 25 15.779 9.496 -13.466 1.00 0.00 H new ATOM 0 HD23 LEU A 25 16.781 8.038 -13.660 1.00 0.00 H new ATOM 389 N HIS A 26 13.440 5.489 -17.641 1.00 0.00 N ATOM 390 CA HIS A 26 13.142 4.102 -17.955 1.00 0.00 C ATOM 391 C HIS A 26 11.778 3.725 -17.373 1.00 0.00 C ATOM 392 O HIS A 26 11.682 2.822 -16.544 1.00 0.00 O ATOM 393 CB HIS A 26 14.267 3.182 -17.476 1.00 0.00 C ATOM 394 CG HIS A 26 14.796 3.524 -16.103 1.00 0.00 C ATOM 395 ND1 HIS A 26 15.908 4.325 -15.906 1.00 0.00 N ATOM 396 CD2 HIS A 26 14.355 3.166 -14.863 1.00 0.00 C ATOM 397 CE1 HIS A 26 16.118 4.437 -14.603 1.00 0.00 C ATOM 398 NE2 HIS A 26 15.155 3.717 -13.958 1.00 0.00 N ATOM 0 H HIS A 26 13.901 6.006 -18.389 1.00 0.00 H new ATOM 0 HA HIS A 26 13.084 3.975 -19.036 1.00 0.00 H new ATOM 0 HB2 HIS A 26 13.904 2.154 -17.469 1.00 0.00 H new ATOM 0 HB3 HIS A 26 15.088 3.225 -18.192 1.00 0.00 H new ATOM 0 HD1 HIS A 26 16.470 4.756 -16.640 1.00 0.00 H new ATOM 0 HD2 HIS A 26 13.500 2.540 -14.653 1.00 0.00 H new ATOM 0 HE1 HIS A 26 16.912 4.999 -14.134 1.00 0.00 H new ATOM 406 N HIS A 27 10.758 4.437 -17.829 1.00 0.00 N ATOM 407 CA HIS A 27 9.405 4.189 -17.364 1.00 0.00 C ATOM 408 C HIS A 27 9.370 4.242 -15.836 1.00 0.00 C ATOM 409 O HIS A 27 8.886 3.314 -15.188 1.00 0.00 O ATOM 410 CB HIS A 27 8.872 2.868 -17.923 1.00 0.00 C ATOM 411 CG HIS A 27 8.712 2.857 -19.425 1.00 0.00 C ATOM 412 ND1 HIS A 27 9.608 2.225 -20.269 1.00 0.00 N ATOM 413 CD2 HIS A 27 7.752 3.406 -20.223 1.00 0.00 C ATOM 414 CE1 HIS A 27 9.195 2.392 -21.517 1.00 0.00 C ATOM 415 NE2 HIS A 27 8.046 3.125 -21.486 1.00 0.00 N ATOM 0 H HIS A 27 10.842 5.186 -18.516 1.00 0.00 H new ATOM 0 HA HIS A 27 8.740 4.969 -17.736 1.00 0.00 H new ATOM 0 HB2 HIS A 27 9.548 2.064 -17.634 1.00 0.00 H new ATOM 0 HB3 HIS A 27 7.907 2.654 -17.463 1.00 0.00 H new ATOM 0 HD2 HIS A 27 6.898 3.973 -19.884 1.00 0.00 H new ATOM 0 HE1 HIS A 27 9.683 2.014 -22.403 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.502 3.411 -22.300 1.00 0.00 H new ATOM 423 N LYS A 28 9.888 5.339 -15.301 1.00 0.00 N ATOM 424 CA LYS A 28 9.922 5.525 -13.861 1.00 0.00 C ATOM 425 C LYS A 28 10.327 6.968 -13.547 1.00 0.00 C ATOM 426 O LYS A 28 11.488 7.339 -13.713 1.00 0.00 O ATOM 427 CB LYS A 28 10.824 4.477 -13.206 1.00 0.00 C ATOM 428 CG LYS A 28 9.999 3.471 -12.401 1.00 0.00 C ATOM 429 CD LYS A 28 10.892 2.383 -11.804 1.00 0.00 C ATOM 430 CE LYS A 28 10.243 1.758 -10.567 1.00 0.00 C ATOM 431 NZ LYS A 28 9.539 0.507 -10.928 1.00 0.00 N ATOM 0 H LYS A 28 10.287 6.108 -15.840 1.00 0.00 H new ATOM 0 HA LYS A 28 8.931 5.371 -13.434 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.396 3.954 -13.972 1.00 0.00 H new ATOM 0 HB3 LYS A 28 11.544 4.969 -12.552 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.467 3.988 -11.603 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.246 3.016 -13.044 1.00 0.00 H new ATOM 0 HD2 LYS A 28 11.079 1.611 -12.550 1.00 0.00 H new ATOM 0 HD3 LYS A 28 11.859 2.808 -11.536 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.004 1.550 -9.815 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.540 2.463 -10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.104 0.096 -10.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.799 0.715 -11.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.218 -0.170 -11.331 1.00 0.00 H new ATOM 445 N VAL A 29 9.348 7.740 -13.102 1.00 0.00 N ATOM 446 CA VAL A 29 9.588 9.133 -12.763 1.00 0.00 C ATOM 447 C VAL A 29 10.460 9.205 -11.508 1.00 0.00 C ATOM 448 O VAL A 29 10.281 8.421 -10.577 1.00 0.00 O ATOM 449 CB VAL A 29 8.257 9.871 -12.610 1.00 0.00 C ATOM 450 CG1 VAL A 29 7.362 9.647 -13.831 1.00 0.00 C ATOM 451 CG2 VAL A 29 7.544 9.453 -11.323 1.00 0.00 C ATOM 0 H VAL A 29 8.386 7.428 -12.968 1.00 0.00 H new ATOM 0 HA VAL A 29 10.131 9.633 -13.565 1.00 0.00 H new ATOM 0 HB VAL A 29 8.471 10.938 -12.543 1.00 0.00 H new ATOM 0 HG11 VAL A 29 6.422 10.183 -13.696 1.00 0.00 H new ATOM 0 HG12 VAL A 29 7.866 10.017 -14.724 1.00 0.00 H new ATOM 0 HG13 VAL A 29 7.160 8.582 -13.943 1.00 0.00 H new ATOM 0 HG21 VAL A 29 6.600 9.992 -11.238 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.348 8.381 -11.347 1.00 0.00 H new ATOM 0 HG23 VAL A 29 8.174 9.688 -10.465 1.00 0.00 H new ATOM 461 N TYR A 30 11.386 10.154 -11.523 1.00 0.00 N ATOM 462 CA TYR A 30 12.286 10.339 -10.398 1.00 0.00 C ATOM 463 C TYR A 30 12.084 11.712 -9.755 1.00 0.00 C ATOM 464 O TYR A 30 12.462 12.732 -10.328 1.00 0.00 O ATOM 465 CB TYR A 30 13.701 10.262 -10.974 1.00 0.00 C ATOM 466 CG TYR A 30 14.258 8.841 -11.068 1.00 0.00 C ATOM 467 CD1 TYR A 30 13.432 7.759 -10.837 1.00 0.00 C ATOM 468 CD2 TYR A 30 15.586 8.639 -11.386 1.00 0.00 C ATOM 469 CE1 TYR A 30 13.956 6.421 -10.926 1.00 0.00 C ATOM 470 CE2 TYR A 30 16.110 7.301 -11.475 1.00 0.00 C ATOM 471 CZ TYR A 30 15.270 6.257 -11.241 1.00 0.00 C ATOM 472 OH TYR A 30 15.764 4.994 -11.325 1.00 0.00 O ATOM 0 H TYR A 30 11.532 10.802 -12.297 1.00 0.00 H new ATOM 0 HA TYR A 30 12.104 9.585 -9.632 1.00 0.00 H new ATOM 0 HB2 TYR A 30 13.702 10.708 -11.969 1.00 0.00 H new ATOM 0 HB3 TYR A 30 14.367 10.862 -10.355 1.00 0.00 H new ATOM 0 HD1 TYR A 30 12.393 7.916 -10.589 1.00 0.00 H new ATOM 0 HD2 TYR A 30 16.232 9.485 -11.568 1.00 0.00 H new ATOM 0 HE1 TYR A 30 13.321 5.566 -10.747 1.00 0.00 H new ATOM 0 HE2 TYR A 30 17.147 7.130 -11.722 1.00 0.00 H new ATOM 0 HH TYR A 30 15.461 4.579 -12.160 1.00 0.00 H new ATOM 482 N ASP A 31 11.487 11.693 -8.572 1.00 0.00 N ATOM 483 CA ASP A 31 11.230 12.925 -7.843 1.00 0.00 C ATOM 484 C ASP A 31 12.533 13.422 -7.215 1.00 0.00 C ATOM 485 O ASP A 31 12.718 13.327 -6.003 1.00 0.00 O ATOM 486 CB ASP A 31 10.218 12.698 -6.718 1.00 0.00 C ATOM 487 CG ASP A 31 9.803 13.960 -5.958 1.00 0.00 C ATOM 488 OD1 ASP A 31 9.607 14.991 -6.635 1.00 0.00 O ATOM 489 OD2 ASP A 31 9.692 13.864 -4.717 1.00 0.00 O ATOM 0 H ASP A 31 11.174 10.845 -8.100 1.00 0.00 H new ATOM 0 HA ASP A 31 10.830 13.656 -8.546 1.00 0.00 H new ATOM 0 HB2 ASP A 31 9.325 12.236 -7.140 1.00 0.00 H new ATOM 0 HB3 ASP A 31 10.640 11.987 -6.008 1.00 0.00 H new ATOM 494 N LEU A 32 13.403 13.942 -8.068 1.00 0.00 N ATOM 495 CA LEU A 32 14.684 14.455 -7.611 1.00 0.00 C ATOM 496 C LEU A 32 14.544 15.942 -7.279 1.00 0.00 C ATOM 497 O LEU A 32 15.448 16.730 -7.553 1.00 0.00 O ATOM 498 CB LEU A 32 15.779 14.154 -8.636 1.00 0.00 C ATOM 499 CG LEU A 32 15.707 14.943 -9.945 1.00 0.00 C ATOM 500 CD1 LEU A 32 16.912 15.875 -10.090 1.00 0.00 C ATOM 501 CD2 LEU A 32 15.560 14.005 -11.144 1.00 0.00 C ATOM 0 H LEU A 32 13.246 14.019 -9.073 1.00 0.00 H new ATOM 0 HA LEU A 32 14.991 13.951 -6.695 1.00 0.00 H new ATOM 0 HB2 LEU A 32 16.746 14.346 -8.172 1.00 0.00 H new ATOM 0 HB3 LEU A 32 15.745 13.091 -8.873 1.00 0.00 H new ATOM 0 HG LEU A 32 14.816 15.570 -9.917 1.00 0.00 H new ATOM 0 HD11 LEU A 32 16.836 16.424 -11.029 1.00 0.00 H new ATOM 0 HD12 LEU A 32 16.930 16.579 -9.258 1.00 0.00 H new ATOM 0 HD13 LEU A 32 17.830 15.287 -10.087 1.00 0.00 H new ATOM 0 HD21 LEU A 32 15.511 14.592 -12.061 1.00 0.00 H new ATOM 0 HD22 LEU A 32 16.418 13.334 -11.188 1.00 0.00 H new ATOM 0 HD23 LEU A 32 14.646 13.420 -11.038 1.00 0.00 H new ATOM 513 N THR A 33 13.404 16.281 -6.695 1.00 0.00 N ATOM 514 CA THR A 33 13.134 17.660 -6.324 1.00 0.00 C ATOM 515 C THR A 33 14.183 18.159 -5.329 1.00 0.00 C ATOM 516 O THR A 33 14.831 19.178 -5.563 1.00 0.00 O ATOM 517 CB THR A 33 11.704 17.733 -5.786 1.00 0.00 C ATOM 518 OG1 THR A 33 10.897 17.335 -6.892 1.00 0.00 O ATOM 519 CG2 THR A 33 11.260 19.169 -5.499 1.00 0.00 C ATOM 0 H THR A 33 12.657 15.625 -6.470 1.00 0.00 H new ATOM 0 HA THR A 33 13.207 18.323 -7.186 1.00 0.00 H new ATOM 0 HB THR A 33 11.628 17.140 -4.875 1.00 0.00 H new ATOM 0 HG1 THR A 33 10.342 16.570 -6.633 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.238 19.165 -5.119 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.922 19.613 -4.755 1.00 0.00 H new ATOM 0 HG23 THR A 33 11.303 19.754 -6.418 1.00 0.00 H new ATOM 527 N LYS A 34 14.319 17.417 -4.239 1.00 0.00 N ATOM 528 CA LYS A 34 15.279 17.772 -3.207 1.00 0.00 C ATOM 529 C LYS A 34 16.690 17.750 -3.799 1.00 0.00 C ATOM 530 O LYS A 34 17.489 18.649 -3.542 1.00 0.00 O ATOM 531 CB LYS A 34 15.112 16.866 -1.986 1.00 0.00 C ATOM 532 CG LYS A 34 13.632 16.623 -1.682 1.00 0.00 C ATOM 533 CD LYS A 34 13.270 15.147 -1.856 1.00 0.00 C ATOM 534 CE LYS A 34 12.012 14.987 -2.712 1.00 0.00 C ATOM 535 NZ LYS A 34 10.805 14.951 -1.857 1.00 0.00 N ATOM 0 H LYS A 34 13.781 16.572 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 34 15.097 18.786 -2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 34 15.611 15.914 -2.164 1.00 0.00 H new ATOM 0 HB3 LYS A 34 15.594 17.322 -1.122 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.411 16.937 -0.662 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.017 17.232 -2.344 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.101 14.618 -2.322 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.110 14.691 -0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.939 15.813 -3.420 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.078 14.070 -3.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.960 14.842 -2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 10.870 14.149 -1.199 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.736 15.837 -1.317 1.00 0.00 H new ATOM 549 N TYR A 35 16.953 16.714 -4.582 1.00 0.00 N ATOM 550 CA TYR A 35 18.253 16.564 -5.213 1.00 0.00 C ATOM 551 C TYR A 35 18.279 17.244 -6.584 1.00 0.00 C ATOM 552 O TYR A 35 19.039 16.845 -7.465 1.00 0.00 O ATOM 553 CB TYR A 35 18.460 15.060 -5.400 1.00 0.00 C ATOM 554 CG TYR A 35 19.786 14.692 -6.068 1.00 0.00 C ATOM 555 CD1 TYR A 35 20.945 14.643 -5.320 1.00 0.00 C ATOM 556 CD2 TYR A 35 19.824 14.410 -7.418 1.00 0.00 C ATOM 557 CE1 TYR A 35 22.193 14.296 -5.948 1.00 0.00 C ATOM 558 CE2 TYR A 35 21.073 14.064 -8.046 1.00 0.00 C ATOM 559 CZ TYR A 35 22.196 14.024 -7.281 1.00 0.00 C ATOM 560 OH TYR A 35 23.375 13.698 -7.874 1.00 0.00 O ATOM 0 H TYR A 35 16.288 15.970 -4.794 1.00 0.00 H new ATOM 0 HA TYR A 35 19.031 17.021 -4.601 1.00 0.00 H new ATOM 0 HB2 TYR A 35 18.408 14.573 -4.426 1.00 0.00 H new ATOM 0 HB3 TYR A 35 17.641 14.663 -5.999 1.00 0.00 H new ATOM 0 HD1 TYR A 35 20.916 14.865 -4.263 1.00 0.00 H new ATOM 0 HD2 TYR A 35 18.917 14.449 -8.004 1.00 0.00 H new ATOM 0 HE1 TYR A 35 23.107 14.253 -5.374 1.00 0.00 H new ATOM 0 HE2 TYR A 35 21.117 13.841 -9.102 1.00 0.00 H new ATOM 0 HH TYR A 35 23.206 13.095 -8.628 1.00 0.00 H new ATOM 570 N LEU A 36 17.439 18.259 -6.722 1.00 0.00 N ATOM 571 CA LEU A 36 17.356 18.999 -7.970 1.00 0.00 C ATOM 572 C LEU A 36 18.504 20.009 -8.036 1.00 0.00 C ATOM 573 O LEU A 36 19.209 20.088 -9.040 1.00 0.00 O ATOM 574 CB LEU A 36 15.971 19.630 -8.128 1.00 0.00 C ATOM 575 CG LEU A 36 15.771 20.507 -9.365 1.00 0.00 C ATOM 576 CD1 LEU A 36 16.532 21.827 -9.230 1.00 0.00 C ATOM 577 CD2 LEU A 36 16.154 19.753 -10.640 1.00 0.00 C ATOM 0 H LEU A 36 16.809 18.587 -5.990 1.00 0.00 H new ATOM 0 HA LEU A 36 17.473 18.327 -8.820 1.00 0.00 H new ATOM 0 HB2 LEU A 36 15.230 18.831 -8.150 1.00 0.00 H new ATOM 0 HB3 LEU A 36 15.765 20.232 -7.243 1.00 0.00 H new ATOM 0 HG LEU A 36 14.712 20.752 -9.442 1.00 0.00 H new ATOM 0 HD11 LEU A 36 16.373 22.432 -10.123 1.00 0.00 H new ATOM 0 HD12 LEU A 36 16.170 22.368 -8.356 1.00 0.00 H new ATOM 0 HD13 LEU A 36 17.597 21.623 -9.115 1.00 0.00 H new ATOM 0 HD21 LEU A 36 16.002 20.399 -11.504 1.00 0.00 H new ATOM 0 HD22 LEU A 36 17.202 19.458 -10.587 1.00 0.00 H new ATOM 0 HD23 LEU A 36 15.531 18.864 -10.738 1.00 0.00 H new ATOM 589 N GLU A 37 18.654 20.758 -6.953 1.00 0.00 N ATOM 590 CA GLU A 37 19.703 21.760 -6.875 1.00 0.00 C ATOM 591 C GLU A 37 20.980 21.148 -6.295 1.00 0.00 C ATOM 592 O GLU A 37 22.035 21.780 -6.303 1.00 0.00 O ATOM 593 CB GLU A 37 19.249 22.966 -6.051 1.00 0.00 C ATOM 594 CG GLU A 37 19.069 22.588 -4.579 1.00 0.00 C ATOM 595 CD GLU A 37 18.110 23.552 -3.879 1.00 0.00 C ATOM 596 OE1 GLU A 37 18.308 24.775 -4.050 1.00 0.00 O ATOM 597 OE2 GLU A 37 17.200 23.045 -3.188 1.00 0.00 O ATOM 0 H GLU A 37 18.066 20.691 -6.122 1.00 0.00 H new ATOM 0 HA GLU A 37 19.918 22.112 -7.884 1.00 0.00 H new ATOM 0 HB2 GLU A 37 19.983 23.767 -6.137 1.00 0.00 H new ATOM 0 HB3 GLU A 37 18.310 23.350 -6.449 1.00 0.00 H new ATOM 0 HG2 GLU A 37 18.685 21.570 -4.505 1.00 0.00 H new ATOM 0 HG3 GLU A 37 20.036 22.601 -4.076 1.00 0.00 H new ATOM 604 N GLU A 38 20.842 19.925 -5.804 1.00 0.00 N ATOM 605 CA GLU A 38 21.971 19.221 -5.222 1.00 0.00 C ATOM 606 C GLU A 38 22.767 18.499 -6.312 1.00 0.00 C ATOM 607 O GLU A 38 23.940 18.181 -6.120 1.00 0.00 O ATOM 608 CB GLU A 38 21.508 18.240 -4.143 1.00 0.00 C ATOM 609 CG GLU A 38 22.120 18.589 -2.785 1.00 0.00 C ATOM 610 CD GLU A 38 22.069 17.390 -1.835 1.00 0.00 C ATOM 611 OE1 GLU A 38 22.362 16.274 -2.314 1.00 0.00 O ATOM 612 OE2 GLU A 38 21.739 17.618 -0.651 1.00 0.00 O ATOM 0 H GLU A 38 19.965 19.404 -5.798 1.00 0.00 H new ATOM 0 HA GLU A 38 22.624 19.953 -4.747 1.00 0.00 H new ATOM 0 HB2 GLU A 38 20.421 18.259 -4.071 1.00 0.00 H new ATOM 0 HB3 GLU A 38 21.791 17.225 -4.423 1.00 0.00 H new ATOM 0 HG2 GLU A 38 23.154 18.907 -2.919 1.00 0.00 H new ATOM 0 HG3 GLU A 38 21.582 19.429 -2.345 1.00 0.00 H new ATOM 619 N HIS A 39 22.098 18.264 -7.431 1.00 0.00 N ATOM 620 CA HIS A 39 22.729 17.587 -8.551 1.00 0.00 C ATOM 621 C HIS A 39 24.069 18.254 -8.865 1.00 0.00 C ATOM 622 O HIS A 39 24.129 19.462 -9.087 1.00 0.00 O ATOM 623 CB HIS A 39 21.791 17.546 -9.759 1.00 0.00 C ATOM 624 CG HIS A 39 22.171 16.516 -10.796 1.00 0.00 C ATOM 625 ND1 HIS A 39 22.109 16.764 -12.156 1.00 0.00 N ATOM 626 CD2 HIS A 39 22.617 15.235 -10.658 1.00 0.00 C ATOM 627 CE1 HIS A 39 22.502 15.674 -12.798 1.00 0.00 C ATOM 628 NE2 HIS A 39 22.816 14.727 -11.868 1.00 0.00 N ATOM 0 H HIS A 39 21.126 18.530 -7.586 1.00 0.00 H new ATOM 0 HA HIS A 39 22.932 16.549 -8.285 1.00 0.00 H new ATOM 0 HB2 HIS A 39 20.778 17.342 -9.413 1.00 0.00 H new ATOM 0 HB3 HIS A 39 21.775 18.530 -10.228 1.00 0.00 H new ATOM 0 HD1 HIS A 39 21.811 17.638 -12.590 1.00 0.00 H new ATOM 0 HD2 HIS A 39 22.781 14.721 -9.723 1.00 0.00 H new ATOM 0 HE1 HIS A 39 22.563 15.556 -13.870 1.00 0.00 H new ATOM 636 N PRO A 40 25.141 17.416 -8.873 1.00 0.00 N ATOM 637 CA PRO A 40 26.476 17.911 -9.157 1.00 0.00 C ATOM 638 C PRO A 40 26.649 18.202 -10.648 1.00 0.00 C ATOM 639 O PRO A 40 27.435 19.068 -11.029 1.00 0.00 O ATOM 640 CB PRO A 40 27.414 16.827 -8.651 1.00 0.00 C ATOM 641 CG PRO A 40 26.569 15.569 -8.528 1.00 0.00 C ATOM 642 CD PRO A 40 25.108 15.980 -8.614 1.00 0.00 C ATOM 0 HA PRO A 40 26.684 18.861 -8.665 1.00 0.00 H new ATOM 0 HB2 PRO A 40 28.243 16.674 -9.342 1.00 0.00 H new ATOM 0 HB3 PRO A 40 27.847 17.103 -7.689 1.00 0.00 H new ATOM 0 HG2 PRO A 40 26.815 14.864 -9.323 1.00 0.00 H new ATOM 0 HG3 PRO A 40 26.769 15.065 -7.582 1.00 0.00 H new ATOM 0 HD2 PRO A 40 24.593 15.446 -9.412 1.00 0.00 H new ATOM 0 HD3 PRO A 40 24.579 15.757 -7.688 1.00 0.00 H new ATOM 650 N GLY A 41 25.901 17.462 -11.453 1.00 0.00 N ATOM 651 CA GLY A 41 25.960 17.630 -12.895 1.00 0.00 C ATOM 652 C GLY A 41 25.395 18.989 -13.314 1.00 0.00 C ATOM 653 O GLY A 41 26.128 19.847 -13.802 1.00 0.00 O ATOM 0 H GLY A 41 25.250 16.744 -11.134 1.00 0.00 H new ATOM 0 HA2 GLY A 41 26.993 17.542 -13.233 1.00 0.00 H new ATOM 0 HA3 GLY A 41 25.397 16.833 -13.381 1.00 0.00 H new ATOM 657 N GLY A 42 24.096 19.142 -13.106 1.00 0.00 N ATOM 658 CA GLY A 42 23.424 20.382 -13.455 1.00 0.00 C ATOM 659 C GLY A 42 21.967 20.368 -12.985 1.00 0.00 C ATOM 660 O GLY A 42 21.325 19.319 -12.974 1.00 0.00 O ATOM 0 H GLY A 42 23.491 18.428 -12.700 1.00 0.00 H new ATOM 0 HA2 GLY A 42 23.948 21.224 -13.002 1.00 0.00 H new ATOM 0 HA3 GLY A 42 23.460 20.528 -14.535 1.00 0.00 H new ATOM 664 N GLU A 43 21.488 21.545 -12.610 1.00 0.00 N ATOM 665 CA GLU A 43 20.120 21.681 -12.141 1.00 0.00 C ATOM 666 C GLU A 43 19.171 21.880 -13.324 1.00 0.00 C ATOM 667 O GLU A 43 18.007 21.486 -13.264 1.00 0.00 O ATOM 668 CB GLU A 43 19.995 22.829 -11.137 1.00 0.00 C ATOM 669 CG GLU A 43 20.340 24.168 -11.792 1.00 0.00 C ATOM 670 CD GLU A 43 20.084 25.331 -10.831 1.00 0.00 C ATOM 671 OE1 GLU A 43 20.926 25.516 -9.926 1.00 0.00 O ATOM 672 OE2 GLU A 43 19.050 26.007 -11.023 1.00 0.00 O ATOM 0 H GLU A 43 22.023 22.413 -12.622 1.00 0.00 H new ATOM 0 HA GLU A 43 19.840 20.762 -11.627 1.00 0.00 H new ATOM 0 HB2 GLU A 43 18.979 22.864 -10.743 1.00 0.00 H new ATOM 0 HB3 GLU A 43 20.659 22.652 -10.291 1.00 0.00 H new ATOM 0 HG2 GLU A 43 21.386 24.168 -12.098 1.00 0.00 H new ATOM 0 HG3 GLU A 43 19.744 24.300 -12.695 1.00 0.00 H new ATOM 679 N GLU A 44 19.703 22.492 -14.372 1.00 0.00 N ATOM 680 CA GLU A 44 18.917 22.750 -15.567 1.00 0.00 C ATOM 681 C GLU A 44 18.697 21.452 -16.346 1.00 0.00 C ATOM 682 O GLU A 44 17.559 21.082 -16.635 1.00 0.00 O ATOM 683 CB GLU A 44 19.586 23.809 -16.444 1.00 0.00 C ATOM 684 CG GLU A 44 18.554 24.530 -17.316 1.00 0.00 C ATOM 685 CD GLU A 44 18.271 25.936 -16.780 1.00 0.00 C ATOM 686 OE1 GLU A 44 17.523 26.024 -15.784 1.00 0.00 O ATOM 687 OE2 GLU A 44 18.811 26.890 -17.381 1.00 0.00 O ATOM 0 H GLU A 44 20.669 22.817 -14.418 1.00 0.00 H new ATOM 0 HA GLU A 44 17.945 23.138 -15.263 1.00 0.00 H new ATOM 0 HB2 GLU A 44 20.105 24.532 -15.815 1.00 0.00 H new ATOM 0 HB3 GLU A 44 20.338 23.339 -17.078 1.00 0.00 H new ATOM 0 HG2 GLU A 44 18.920 24.594 -18.341 1.00 0.00 H new ATOM 0 HG3 GLU A 44 17.629 23.954 -17.343 1.00 0.00 H new ATOM 694 N VAL A 45 19.802 20.795 -16.665 1.00 0.00 N ATOM 695 CA VAL A 45 19.744 19.546 -17.405 1.00 0.00 C ATOM 696 C VAL A 45 18.569 18.710 -16.895 1.00 0.00 C ATOM 697 O VAL A 45 17.987 17.927 -17.644 1.00 0.00 O ATOM 698 CB VAL A 45 21.085 18.816 -17.306 1.00 0.00 C ATOM 699 CG1 VAL A 45 21.777 19.119 -15.975 1.00 0.00 C ATOM 700 CG2 VAL A 45 20.905 17.310 -17.500 1.00 0.00 C ATOM 0 H VAL A 45 20.744 21.104 -16.424 1.00 0.00 H new ATOM 0 HA VAL A 45 19.571 19.737 -18.464 1.00 0.00 H new ATOM 0 HB VAL A 45 21.726 19.182 -18.108 1.00 0.00 H new ATOM 0 HG11 VAL A 45 22.728 18.588 -15.930 1.00 0.00 H new ATOM 0 HG12 VAL A 45 21.956 20.191 -15.894 1.00 0.00 H new ATOM 0 HG13 VAL A 45 21.141 18.794 -15.152 1.00 0.00 H new ATOM 0 HG21 VAL A 45 21.873 16.815 -17.425 1.00 0.00 H new ATOM 0 HG22 VAL A 45 20.238 16.921 -16.730 1.00 0.00 H new ATOM 0 HG23 VAL A 45 20.475 17.119 -18.483 1.00 0.00 H new ATOM 710 N LEU A 46 18.255 18.903 -15.622 1.00 0.00 N ATOM 711 CA LEU A 46 17.160 18.177 -15.002 1.00 0.00 C ATOM 712 C LEU A 46 15.844 18.899 -15.296 1.00 0.00 C ATOM 713 O LEU A 46 14.965 18.350 -15.960 1.00 0.00 O ATOM 714 CB LEU A 46 17.430 17.972 -13.510 1.00 0.00 C ATOM 715 CG LEU A 46 18.881 17.681 -13.124 1.00 0.00 C ATOM 716 CD1 LEU A 46 19.160 18.101 -11.681 1.00 0.00 C ATOM 717 CD2 LEU A 46 19.230 16.212 -13.372 1.00 0.00 C ATOM 0 H LEU A 46 18.740 19.552 -15.003 1.00 0.00 H new ATOM 0 HA LEU A 46 17.077 17.177 -15.427 1.00 0.00 H new ATOM 0 HB2 LEU A 46 17.105 18.865 -12.976 1.00 0.00 H new ATOM 0 HB3 LEU A 46 16.809 17.148 -13.159 1.00 0.00 H new ATOM 0 HG LEU A 46 19.531 18.279 -13.763 1.00 0.00 H new ATOM 0 HD11 LEU A 46 20.199 17.883 -11.433 1.00 0.00 H new ATOM 0 HD12 LEU A 46 18.978 19.170 -11.571 1.00 0.00 H new ATOM 0 HD13 LEU A 46 18.503 17.550 -11.008 1.00 0.00 H new ATOM 0 HD21 LEU A 46 20.267 16.032 -13.089 1.00 0.00 H new ATOM 0 HD22 LEU A 46 18.576 15.577 -12.775 1.00 0.00 H new ATOM 0 HD23 LEU A 46 19.096 15.980 -14.429 1.00 0.00 H new ATOM 729 N ARG A 47 15.748 20.118 -14.787 1.00 0.00 N ATOM 730 CA ARG A 47 14.554 20.921 -14.987 1.00 0.00 C ATOM 731 C ARG A 47 14.276 21.097 -16.481 1.00 0.00 C ATOM 732 O ARG A 47 13.196 20.756 -16.960 1.00 0.00 O ATOM 733 CB ARG A 47 14.701 22.298 -14.336 1.00 0.00 C ATOM 734 CG ARG A 47 14.999 22.169 -12.841 1.00 0.00 C ATOM 735 CD ARG A 47 14.247 23.234 -12.039 1.00 0.00 C ATOM 736 NE ARG A 47 15.129 24.397 -11.791 1.00 0.00 N ATOM 737 CZ ARG A 47 15.177 25.484 -12.574 1.00 0.00 C ATOM 738 NH1 ARG A 47 14.395 25.563 -13.659 1.00 0.00 N ATOM 739 NH2 ARG A 47 16.008 26.491 -12.272 1.00 0.00 N ATOM 0 H ARG A 47 16.478 20.569 -14.236 1.00 0.00 H new ATOM 0 HA ARG A 47 13.720 20.398 -14.519 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.504 22.851 -14.824 1.00 0.00 H new ATOM 0 HB3 ARG A 47 13.785 22.872 -14.480 1.00 0.00 H new ATOM 0 HG2 ARG A 47 14.712 21.177 -12.493 1.00 0.00 H new ATOM 0 HG3 ARG A 47 16.071 22.269 -12.670 1.00 0.00 H new ATOM 0 HD2 ARG A 47 13.358 23.551 -12.584 1.00 0.00 H new ATOM 0 HD3 ARG A 47 13.908 22.816 -11.091 1.00 0.00 H new ATOM 0 HE ARG A 47 15.738 24.369 -10.973 1.00 0.00 H new ATOM 0 HH11 ARG A 47 13.763 24.796 -13.889 1.00 0.00 H new ATOM 0 HH12 ARG A 47 14.431 26.390 -14.255 1.00 0.00 H new ATOM 0 HH21 ARG A 47 16.604 26.430 -11.446 1.00 0.00 H new ATOM 0 HH22 ARG A 47 16.045 27.318 -12.868 1.00 0.00 H new ATOM 753 N GLU A 48 15.270 21.631 -17.176 1.00 0.00 N ATOM 754 CA GLU A 48 15.147 21.856 -18.607 1.00 0.00 C ATOM 755 C GLU A 48 14.281 20.767 -19.243 1.00 0.00 C ATOM 756 O GLU A 48 13.399 21.061 -20.048 1.00 0.00 O ATOM 757 CB GLU A 48 16.522 21.922 -19.271 1.00 0.00 C ATOM 758 CG GLU A 48 16.419 22.490 -20.689 1.00 0.00 C ATOM 759 CD GLU A 48 16.081 23.983 -20.658 1.00 0.00 C ATOM 760 OE1 GLU A 48 16.787 24.708 -19.925 1.00 0.00 O ATOM 761 OE2 GLU A 48 15.126 24.363 -21.369 1.00 0.00 O ATOM 0 H GLU A 48 16.164 21.914 -16.775 1.00 0.00 H new ATOM 0 HA GLU A 48 14.659 22.818 -18.764 1.00 0.00 H new ATOM 0 HB2 GLU A 48 17.189 22.544 -18.674 1.00 0.00 H new ATOM 0 HB3 GLU A 48 16.961 20.925 -19.306 1.00 0.00 H new ATOM 0 HG2 GLU A 48 17.361 22.338 -21.215 1.00 0.00 H new ATOM 0 HG3 GLU A 48 15.652 21.951 -21.246 1.00 0.00 H new ATOM 768 N GLN A 49 14.563 19.531 -18.857 1.00 0.00 N ATOM 769 CA GLN A 49 13.821 18.396 -19.379 1.00 0.00 C ATOM 770 C GLN A 49 13.356 17.494 -18.235 1.00 0.00 C ATOM 771 O GLN A 49 13.518 16.276 -18.296 1.00 0.00 O ATOM 772 CB GLN A 49 14.660 17.612 -20.391 1.00 0.00 C ATOM 773 CG GLN A 49 15.953 17.101 -19.751 1.00 0.00 C ATOM 774 CD GLN A 49 16.924 16.583 -20.815 1.00 0.00 C ATOM 775 OE1 GLN A 49 16.537 15.985 -21.805 1.00 0.00 O ATOM 776 NE2 GLN A 49 18.201 16.845 -20.555 1.00 0.00 N ATOM 0 H GLN A 49 15.295 19.291 -18.189 1.00 0.00 H new ATOM 0 HA GLN A 49 12.940 18.771 -19.900 1.00 0.00 H new ATOM 0 HB2 GLN A 49 14.082 16.771 -20.774 1.00 0.00 H new ATOM 0 HB3 GLN A 49 14.898 18.249 -21.243 1.00 0.00 H new ATOM 0 HG2 GLN A 49 16.424 17.904 -19.184 1.00 0.00 H new ATOM 0 HG3 GLN A 49 15.723 16.304 -19.044 1.00 0.00 H new ATOM 0 HE21 GLN A 49 18.455 17.351 -19.706 1.00 0.00 H new ATOM 0 HE22 GLN A 49 18.927 16.540 -21.204 1.00 0.00 H new ATOM 785 N ALA A 50 12.786 18.126 -17.219 1.00 0.00 N ATOM 786 CA ALA A 50 12.297 17.395 -16.063 1.00 0.00 C ATOM 787 C ALA A 50 11.085 16.554 -16.473 1.00 0.00 C ATOM 788 O ALA A 50 11.232 15.398 -16.866 1.00 0.00 O ATOM 789 CB ALA A 50 11.971 18.379 -14.938 1.00 0.00 C ATOM 0 H ALA A 50 12.652 19.136 -17.173 1.00 0.00 H new ATOM 0 HA ALA A 50 13.060 16.713 -15.688 1.00 0.00 H new ATOM 0 HB1 ALA A 50 11.604 17.831 -14.070 1.00 0.00 H new ATOM 0 HB2 ALA A 50 12.871 18.931 -14.665 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.206 19.078 -15.276 1.00 0.00 H new ATOM 795 N GLY A 51 9.916 17.168 -16.365 1.00 0.00 N ATOM 796 CA GLY A 51 8.680 16.492 -16.719 1.00 0.00 C ATOM 797 C GLY A 51 8.842 15.695 -18.015 1.00 0.00 C ATOM 798 O GLY A 51 8.216 14.652 -18.191 1.00 0.00 O ATOM 0 H GLY A 51 9.799 18.127 -16.037 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.383 15.823 -15.911 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.881 17.225 -16.836 1.00 0.00 H new ATOM 802 N GLY A 52 9.688 16.219 -18.892 1.00 0.00 N ATOM 803 CA GLY A 52 9.940 15.571 -20.167 1.00 0.00 C ATOM 804 C GLY A 52 10.508 14.165 -19.965 1.00 0.00 C ATOM 805 O GLY A 52 10.041 13.421 -19.103 1.00 0.00 O ATOM 0 H GLY A 52 10.207 17.085 -18.743 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.014 15.514 -20.739 1.00 0.00 H new ATOM 0 HA3 GLY A 52 10.639 16.169 -20.751 1.00 0.00 H new ATOM 809 N ASP A 53 11.506 13.842 -20.774 1.00 0.00 N ATOM 810 CA ASP A 53 12.143 12.539 -20.694 1.00 0.00 C ATOM 811 C ASP A 53 13.660 12.709 -20.797 1.00 0.00 C ATOM 812 O ASP A 53 14.179 13.048 -21.860 1.00 0.00 O ATOM 813 CB ASP A 53 11.690 11.634 -21.842 1.00 0.00 C ATOM 814 CG ASP A 53 12.511 10.356 -22.020 1.00 0.00 C ATOM 815 OD1 ASP A 53 12.948 9.812 -20.983 1.00 0.00 O ATOM 816 OD2 ASP A 53 12.686 9.953 -23.191 1.00 0.00 O ATOM 0 H ASP A 53 11.889 14.461 -21.489 1.00 0.00 H new ATOM 0 HA ASP A 53 11.863 12.085 -19.743 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.648 11.359 -21.678 1.00 0.00 H new ATOM 0 HB3 ASP A 53 11.727 12.204 -22.770 1.00 0.00 H new ATOM 821 N ALA A 54 14.328 12.467 -19.678 1.00 0.00 N ATOM 822 CA ALA A 54 15.775 12.589 -19.630 1.00 0.00 C ATOM 823 C ALA A 54 16.393 11.205 -19.427 1.00 0.00 C ATOM 824 O ALA A 54 17.484 11.083 -18.872 1.00 0.00 O ATOM 825 CB ALA A 54 16.167 13.571 -18.523 1.00 0.00 C ATOM 0 H ALA A 54 13.894 12.187 -18.798 1.00 0.00 H new ATOM 0 HA ALA A 54 16.158 12.986 -20.570 1.00 0.00 H new ATOM 0 HB1 ALA A 54 17.252 13.663 -18.486 1.00 0.00 H new ATOM 0 HB2 ALA A 54 15.727 14.547 -18.729 1.00 0.00 H new ATOM 0 HB3 ALA A 54 15.801 13.203 -17.564 1.00 0.00 H new ATOM 831 N THR A 55 15.668 10.196 -19.887 1.00 0.00 N ATOM 832 CA THR A 55 16.132 8.823 -19.763 1.00 0.00 C ATOM 833 C THR A 55 17.521 8.672 -20.387 1.00 0.00 C ATOM 834 O THR A 55 18.470 8.283 -19.709 1.00 0.00 O ATOM 835 CB THR A 55 15.079 7.909 -20.394 1.00 0.00 C ATOM 836 OG1 THR A 55 14.071 7.800 -19.394 1.00 0.00 O ATOM 837 CG2 THR A 55 15.581 6.476 -20.576 1.00 0.00 C ATOM 0 H THR A 55 14.763 10.301 -20.346 1.00 0.00 H new ATOM 0 HA THR A 55 16.247 8.537 -18.718 1.00 0.00 H new ATOM 0 HB THR A 55 14.779 8.313 -21.361 1.00 0.00 H new ATOM 0 HG1 THR A 55 13.719 8.691 -19.186 1.00 0.00 H new ATOM 0 HG21 THR A 55 14.795 5.870 -21.027 1.00 0.00 H new ATOM 0 HG22 THR A 55 16.457 6.477 -21.225 1.00 0.00 H new ATOM 0 HG23 THR A 55 15.849 6.058 -19.606 1.00 0.00 H new ATOM 845 N GLU A 56 17.595 8.988 -21.671 1.00 0.00 N ATOM 846 CA GLU A 56 18.852 8.891 -22.394 1.00 0.00 C ATOM 847 C GLU A 56 19.853 9.915 -21.856 1.00 0.00 C ATOM 848 O GLU A 56 21.034 9.610 -21.699 1.00 0.00 O ATOM 849 CB GLU A 56 18.636 9.073 -23.898 1.00 0.00 C ATOM 850 CG GLU A 56 17.725 7.977 -24.457 1.00 0.00 C ATOM 851 CD GLU A 56 18.510 6.691 -24.718 1.00 0.00 C ATOM 852 OE1 GLU A 56 19.636 6.812 -25.249 1.00 0.00 O ATOM 853 OE2 GLU A 56 17.968 5.616 -24.382 1.00 0.00 O ATOM 0 H GLU A 56 16.805 9.311 -22.230 1.00 0.00 H new ATOM 0 HA GLU A 56 19.262 7.893 -22.238 1.00 0.00 H new ATOM 0 HB2 GLU A 56 18.195 10.051 -24.090 1.00 0.00 H new ATOM 0 HB3 GLU A 56 19.597 9.050 -24.413 1.00 0.00 H new ATOM 0 HG2 GLU A 56 16.917 7.777 -23.753 1.00 0.00 H new ATOM 0 HG3 GLU A 56 17.264 8.320 -25.383 1.00 0.00 H new ATOM 860 N ASN A 57 19.345 11.109 -21.591 1.00 0.00 N ATOM 861 CA ASN A 57 20.180 12.180 -21.074 1.00 0.00 C ATOM 862 C ASN A 57 20.692 11.797 -19.684 1.00 0.00 C ATOM 863 O ASN A 57 21.617 12.421 -19.166 1.00 0.00 O ATOM 864 CB ASN A 57 19.387 13.482 -20.944 1.00 0.00 C ATOM 865 CG ASN A 57 19.682 14.424 -22.114 1.00 0.00 C ATOM 866 OD1 ASN A 57 20.434 15.471 -21.788 1.00 0.00 O flip ATOM 867 ND2 ASN A 57 19.256 14.212 -23.237 1.00 0.00 N flip ATOM 0 H ASN A 57 18.365 11.359 -21.725 1.00 0.00 H new ATOM 0 HA ASN A 57 21.006 12.329 -21.769 1.00 0.00 H new ATOM 0 HB2 ASN A 57 18.320 13.260 -20.911 1.00 0.00 H new ATOM 0 HB3 ASN A 57 19.640 13.973 -20.004 1.00 0.00 H new ATOM 0 HD21 ASN A 57 18.683 13.388 -23.418 1.00 0.00 H new ATOM 0 HD22 ASN A 57 19.472 14.859 -23.995 1.00 0.00 H new ATOM 874 N PHE A 58 20.068 10.773 -19.121 1.00 0.00 N ATOM 875 CA PHE A 58 20.449 10.300 -17.801 1.00 0.00 C ATOM 876 C PHE A 58 21.371 9.083 -17.900 1.00 0.00 C ATOM 877 O PHE A 58 22.330 8.963 -17.139 1.00 0.00 O ATOM 878 CB PHE A 58 19.161 9.892 -17.083 1.00 0.00 C ATOM 879 CG PHE A 58 19.385 9.299 -15.691 1.00 0.00 C ATOM 880 CD1 PHE A 58 19.811 10.095 -14.673 1.00 0.00 C ATOM 881 CD2 PHE A 58 19.159 7.976 -15.470 1.00 0.00 C ATOM 882 CE1 PHE A 58 20.019 9.545 -13.381 1.00 0.00 C ATOM 883 CE2 PHE A 58 19.368 7.426 -14.178 1.00 0.00 C ATOM 884 CZ PHE A 58 19.793 8.222 -13.160 1.00 0.00 C ATOM 0 H PHE A 58 19.302 10.258 -19.554 1.00 0.00 H new ATOM 0 HA PHE A 58 20.983 11.084 -17.264 1.00 0.00 H new ATOM 0 HB2 PHE A 58 18.514 10.765 -16.995 1.00 0.00 H new ATOM 0 HB3 PHE A 58 18.631 9.163 -17.696 1.00 0.00 H new ATOM 0 HD1 PHE A 58 19.991 11.145 -14.848 1.00 0.00 H new ATOM 0 HD2 PHE A 58 18.820 7.344 -16.278 1.00 0.00 H new ATOM 0 HE1 PHE A 58 20.357 10.177 -12.573 1.00 0.00 H new ATOM 0 HE2 PHE A 58 19.190 6.375 -14.003 1.00 0.00 H new ATOM 0 HZ PHE A 58 19.951 7.804 -12.177 1.00 0.00 H new ATOM 894 N GLU A 59 21.048 8.211 -18.844 1.00 0.00 N ATOM 895 CA GLU A 59 21.835 7.008 -19.053 1.00 0.00 C ATOM 896 C GLU A 59 23.085 7.328 -19.876 1.00 0.00 C ATOM 897 O GLU A 59 24.142 6.736 -19.661 1.00 0.00 O ATOM 898 CB GLU A 59 21.001 5.917 -19.725 1.00 0.00 C ATOM 899 CG GLU A 59 19.910 5.403 -18.783 1.00 0.00 C ATOM 900 CD GLU A 59 19.862 3.874 -18.782 1.00 0.00 C ATOM 901 OE1 GLU A 59 20.956 3.272 -18.747 1.00 0.00 O ATOM 902 OE2 GLU A 59 18.731 3.341 -18.816 1.00 0.00 O ATOM 0 H GLU A 59 20.252 8.314 -19.473 1.00 0.00 H new ATOM 0 HA GLU A 59 22.151 6.630 -18.080 1.00 0.00 H new ATOM 0 HB2 GLU A 59 20.546 6.310 -20.634 1.00 0.00 H new ATOM 0 HB3 GLU A 59 21.648 5.092 -20.023 1.00 0.00 H new ATOM 0 HG2 GLU A 59 20.097 5.765 -17.772 1.00 0.00 H new ATOM 0 HG3 GLU A 59 18.943 5.801 -19.090 1.00 0.00 H new ATOM 909 N ASP A 60 22.922 8.262 -20.801 1.00 0.00 N ATOM 910 CA ASP A 60 24.024 8.668 -21.657 1.00 0.00 C ATOM 911 C ASP A 60 25.187 9.155 -20.790 1.00 0.00 C ATOM 912 O ASP A 60 26.340 8.814 -21.043 1.00 0.00 O ATOM 913 CB ASP A 60 23.611 9.815 -22.581 1.00 0.00 C ATOM 914 CG ASP A 60 24.665 10.229 -23.610 1.00 0.00 C ATOM 915 OD1 ASP A 60 25.616 9.439 -23.797 1.00 0.00 O ATOM 916 OD2 ASP A 60 24.495 11.325 -24.187 1.00 0.00 O ATOM 0 H ASP A 60 22.043 8.749 -20.977 1.00 0.00 H new ATOM 0 HA ASP A 60 24.317 7.808 -22.259 1.00 0.00 H new ATOM 0 HB2 ASP A 60 22.703 9.526 -23.110 1.00 0.00 H new ATOM 0 HB3 ASP A 60 23.362 10.682 -21.970 1.00 0.00 H new ATOM 921 N VAL A 61 24.841 9.945 -19.783 1.00 0.00 N ATOM 922 CA VAL A 61 25.842 10.483 -18.877 1.00 0.00 C ATOM 923 C VAL A 61 26.451 9.340 -18.061 1.00 0.00 C ATOM 924 O VAL A 61 27.520 9.494 -17.474 1.00 0.00 O ATOM 925 CB VAL A 61 25.223 11.577 -18.004 1.00 0.00 C ATOM 926 CG1 VAL A 61 24.495 12.614 -18.861 1.00 0.00 C ATOM 927 CG2 VAL A 61 24.285 10.976 -16.954 1.00 0.00 C ATOM 0 H VAL A 61 23.882 10.225 -19.575 1.00 0.00 H new ATOM 0 HA VAL A 61 26.652 10.951 -19.436 1.00 0.00 H new ATOM 0 HB VAL A 61 26.032 12.085 -17.478 1.00 0.00 H new ATOM 0 HG11 VAL A 61 24.064 13.380 -18.217 1.00 0.00 H new ATOM 0 HG12 VAL A 61 25.201 13.075 -19.552 1.00 0.00 H new ATOM 0 HG13 VAL A 61 23.701 12.126 -19.426 1.00 0.00 H new ATOM 0 HG21 VAL A 61 23.859 11.775 -16.347 1.00 0.00 H new ATOM 0 HG22 VAL A 61 23.483 10.431 -17.452 1.00 0.00 H new ATOM 0 HG23 VAL A 61 24.845 10.294 -16.314 1.00 0.00 H new ATOM 937 N GLY A 62 25.743 8.220 -18.051 1.00 0.00 N ATOM 938 CA GLY A 62 26.201 7.053 -17.316 1.00 0.00 C ATOM 939 C GLY A 62 26.315 7.356 -15.821 1.00 0.00 C ATOM 940 O GLY A 62 27.394 7.681 -15.331 1.00 0.00 O ATOM 0 H GLY A 62 24.856 8.096 -18.540 1.00 0.00 H new ATOM 0 HA2 GLY A 62 25.508 6.226 -17.471 1.00 0.00 H new ATOM 0 HA3 GLY A 62 27.170 6.734 -17.701 1.00 0.00 H new ATOM 944 N HIS A 63 25.185 7.238 -15.138 1.00 0.00 N ATOM 945 CA HIS A 63 25.145 7.494 -13.709 1.00 0.00 C ATOM 946 C HIS A 63 25.875 6.375 -12.965 1.00 0.00 C ATOM 947 O HIS A 63 25.752 5.204 -13.322 1.00 0.00 O ATOM 948 CB HIS A 63 23.703 7.681 -13.230 1.00 0.00 C ATOM 949 CG HIS A 63 23.138 9.054 -13.507 1.00 0.00 C ATOM 950 ND1 HIS A 63 22.892 9.520 -14.787 1.00 0.00 N ATOM 951 CD2 HIS A 63 22.773 10.056 -12.656 1.00 0.00 C ATOM 952 CE1 HIS A 63 22.402 10.748 -14.698 1.00 0.00 C ATOM 953 NE2 HIS A 63 22.329 11.078 -13.377 1.00 0.00 N ATOM 0 H HIS A 63 24.291 6.969 -15.548 1.00 0.00 H new ATOM 0 HA HIS A 63 25.664 8.427 -13.490 1.00 0.00 H new ATOM 0 HB2 HIS A 63 23.071 6.935 -13.712 1.00 0.00 H new ATOM 0 HB3 HIS A 63 23.659 7.491 -12.158 1.00 0.00 H new ATOM 0 HD1 HIS A 63 23.059 9.006 -15.652 1.00 0.00 H new ATOM 0 HD2 HIS A 63 22.835 10.023 -11.578 1.00 0.00 H new ATOM 0 HE1 HIS A 63 22.111 11.377 -15.526 1.00 0.00 H new ATOM 961 N SER A 64 26.619 6.773 -11.944 1.00 0.00 N ATOM 962 CA SER A 64 27.370 5.817 -11.147 1.00 0.00 C ATOM 963 C SER A 64 26.447 5.149 -10.125 1.00 0.00 C ATOM 964 O SER A 64 25.307 5.573 -9.942 1.00 0.00 O ATOM 965 CB SER A 64 28.545 6.492 -10.438 1.00 0.00 C ATOM 966 OG SER A 64 28.228 7.820 -10.026 1.00 0.00 O ATOM 0 H SER A 64 26.718 7.745 -11.650 1.00 0.00 H new ATOM 0 HA SER A 64 27.773 5.057 -11.816 1.00 0.00 H new ATOM 0 HB2 SER A 64 28.832 5.901 -9.568 1.00 0.00 H new ATOM 0 HB3 SER A 64 29.406 6.515 -11.105 1.00 0.00 H new ATOM 0 HG SER A 64 28.417 7.920 -9.070 1.00 0.00 H new ATOM 972 N THR A 65 26.974 4.115 -9.485 1.00 0.00 N ATOM 973 CA THR A 65 26.212 3.385 -8.487 1.00 0.00 C ATOM 974 C THR A 65 25.634 4.348 -7.448 1.00 0.00 C ATOM 975 O THR A 65 24.475 4.222 -7.058 1.00 0.00 O ATOM 976 CB THR A 65 27.126 2.317 -7.884 1.00 0.00 C ATOM 977 OG1 THR A 65 26.837 1.145 -8.641 1.00 0.00 O ATOM 978 CG2 THR A 65 26.727 1.944 -6.454 1.00 0.00 C ATOM 0 H THR A 65 27.920 3.766 -9.639 1.00 0.00 H new ATOM 0 HA THR A 65 25.353 2.884 -8.933 1.00 0.00 H new ATOM 0 HB THR A 65 28.156 2.674 -7.892 1.00 0.00 H new ATOM 0 HG1 THR A 65 27.388 0.402 -8.317 1.00 0.00 H new ATOM 0 HG21 THR A 65 27.408 1.183 -6.073 1.00 0.00 H new ATOM 0 HG22 THR A 65 26.780 2.828 -5.819 1.00 0.00 H new ATOM 0 HG23 THR A 65 25.709 1.555 -6.450 1.00 0.00 H new ATOM 986 N ASP A 66 26.469 5.286 -7.029 1.00 0.00 N ATOM 987 CA ASP A 66 26.057 6.271 -6.043 1.00 0.00 C ATOM 988 C ASP A 66 24.656 6.779 -6.392 1.00 0.00 C ATOM 989 O ASP A 66 23.820 6.962 -5.509 1.00 0.00 O ATOM 990 CB ASP A 66 27.005 7.470 -6.030 1.00 0.00 C ATOM 991 CG ASP A 66 28.494 7.117 -6.052 1.00 0.00 C ATOM 992 OD1 ASP A 66 29.037 6.872 -4.953 1.00 0.00 O ATOM 993 OD2 ASP A 66 29.056 7.100 -7.168 1.00 0.00 O ATOM 0 H ASP A 66 27.431 5.385 -7.354 1.00 0.00 H new ATOM 0 HA ASP A 66 26.070 5.793 -5.064 1.00 0.00 H new ATOM 0 HB2 ASP A 66 26.783 8.099 -6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 66 26.801 8.066 -5.140 1.00 0.00 H new ATOM 998 N ALA A 67 24.444 6.994 -7.683 1.00 0.00 N ATOM 999 CA ALA A 67 23.160 7.478 -8.159 1.00 0.00 C ATOM 1000 C ALA A 67 22.101 6.393 -7.951 1.00 0.00 C ATOM 1001 O ALA A 67 21.013 6.671 -7.450 1.00 0.00 O ATOM 1002 CB ALA A 67 23.285 7.897 -9.626 1.00 0.00 C ATOM 0 H ALA A 67 25.140 6.842 -8.413 1.00 0.00 H new ATOM 0 HA ALA A 67 22.847 8.356 -7.594 1.00 0.00 H new ATOM 0 HB1 ALA A 67 22.322 8.260 -9.984 1.00 0.00 H new ATOM 0 HB2 ALA A 67 24.028 8.689 -9.716 1.00 0.00 H new ATOM 0 HB3 ALA A 67 23.594 7.040 -10.224 1.00 0.00 H new ATOM 1008 N ARG A 68 22.458 5.179 -8.344 1.00 0.00 N ATOM 1009 CA ARG A 68 21.553 4.052 -8.208 1.00 0.00 C ATOM 1010 C ARG A 68 20.825 4.116 -6.863 1.00 0.00 C ATOM 1011 O ARG A 68 19.608 3.946 -6.803 1.00 0.00 O ATOM 1012 CB ARG A 68 22.307 2.724 -8.309 1.00 0.00 C ATOM 1013 CG ARG A 68 21.381 1.603 -8.786 1.00 0.00 C ATOM 1014 CD ARG A 68 21.678 0.296 -8.048 1.00 0.00 C ATOM 1015 NE ARG A 68 20.413 -0.396 -7.716 1.00 0.00 N ATOM 1016 CZ ARG A 68 19.684 -0.144 -6.621 1.00 0.00 C ATOM 1017 NH1 ARG A 68 20.089 0.784 -5.744 1.00 0.00 N ATOM 1018 NH2 ARG A 68 18.549 -0.821 -6.400 1.00 0.00 N ATOM 0 H ARG A 68 23.363 4.952 -8.757 1.00 0.00 H new ATOM 0 HA ARG A 68 20.829 4.108 -9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 68 23.144 2.828 -9.000 1.00 0.00 H new ATOM 0 HB3 ARG A 68 22.727 2.465 -7.337 1.00 0.00 H new ATOM 0 HG2 ARG A 68 20.342 1.890 -8.622 1.00 0.00 H new ATOM 0 HG3 ARG A 68 21.505 1.455 -9.859 1.00 0.00 H new ATOM 0 HD2 ARG A 68 22.302 -0.347 -8.668 1.00 0.00 H new ATOM 0 HD3 ARG A 68 22.239 0.503 -7.137 1.00 0.00 H new ATOM 0 HE ARG A 68 20.075 -1.110 -8.362 1.00 0.00 H new ATOM 0 HH11 ARG A 68 20.953 1.300 -5.910 1.00 0.00 H new ATOM 0 HH12 ARG A 68 19.533 0.975 -4.910 1.00 0.00 H new ATOM 0 HH21 ARG A 68 18.240 -1.529 -7.066 1.00 0.00 H new ATOM 0 HH22 ARG A 68 17.994 -0.628 -5.566 1.00 0.00 H new ATOM 1032 N GLU A 69 21.601 4.361 -5.818 1.00 0.00 N ATOM 1033 CA GLU A 69 21.045 4.450 -4.478 1.00 0.00 C ATOM 1034 C GLU A 69 20.067 5.623 -4.386 1.00 0.00 C ATOM 1035 O GLU A 69 18.917 5.447 -3.989 1.00 0.00 O ATOM 1036 CB GLU A 69 22.154 4.577 -3.431 1.00 0.00 C ATOM 1037 CG GLU A 69 21.711 3.992 -2.089 1.00 0.00 C ATOM 1038 CD GLU A 69 21.518 5.097 -1.047 1.00 0.00 C ATOM 1039 OE1 GLU A 69 22.547 5.667 -0.628 1.00 0.00 O ATOM 1040 OE2 GLU A 69 20.344 5.343 -0.694 1.00 0.00 O ATOM 0 H GLU A 69 22.610 4.501 -5.872 1.00 0.00 H new ATOM 0 HA GLU A 69 20.499 3.530 -4.271 1.00 0.00 H new ATOM 0 HB2 GLU A 69 23.049 4.061 -3.779 1.00 0.00 H new ATOM 0 HB3 GLU A 69 22.421 5.626 -3.304 1.00 0.00 H new ATOM 0 HG2 GLU A 69 20.779 3.442 -2.218 1.00 0.00 H new ATOM 0 HG3 GLU A 69 22.456 3.279 -1.735 1.00 0.00 H new ATOM 1047 N LEU A 70 20.560 6.795 -4.759 1.00 0.00 N ATOM 1048 CA LEU A 70 19.744 7.996 -4.724 1.00 0.00 C ATOM 1049 C LEU A 70 18.486 7.778 -5.565 1.00 0.00 C ATOM 1050 O LEU A 70 17.377 7.747 -5.033 1.00 0.00 O ATOM 1051 CB LEU A 70 20.566 9.215 -5.149 1.00 0.00 C ATOM 1052 CG LEU A 70 21.296 9.957 -4.029 1.00 0.00 C ATOM 1053 CD1 LEU A 70 21.763 8.987 -2.942 1.00 0.00 C ATOM 1054 CD2 LEU A 70 22.450 10.793 -4.585 1.00 0.00 C ATOM 0 H LEU A 70 21.515 6.938 -5.087 1.00 0.00 H new ATOM 0 HA LEU A 70 19.414 8.203 -3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 70 21.303 8.892 -5.884 1.00 0.00 H new ATOM 0 HB3 LEU A 70 19.902 9.919 -5.651 1.00 0.00 H new ATOM 0 HG LEU A 70 20.593 10.648 -3.564 1.00 0.00 H new ATOM 0 HD11 LEU A 70 22.279 9.541 -2.158 1.00 0.00 H new ATOM 0 HD12 LEU A 70 20.900 8.474 -2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 70 22.443 8.254 -3.376 1.00 0.00 H new ATOM 0 HD21 LEU A 70 22.952 11.310 -3.767 1.00 0.00 H new ATOM 0 HD22 LEU A 70 23.161 10.140 -5.092 1.00 0.00 H new ATOM 0 HD23 LEU A 70 22.061 11.525 -5.293 1.00 0.00 H new ATOM 1066 N SER A 71 18.699 7.632 -6.865 1.00 0.00 N ATOM 1067 CA SER A 71 17.596 7.418 -7.785 1.00 0.00 C ATOM 1068 C SER A 71 16.497 6.601 -7.102 1.00 0.00 C ATOM 1069 O SER A 71 15.354 7.048 -7.009 1.00 0.00 O ATOM 1070 CB SER A 71 18.069 6.711 -9.057 1.00 0.00 C ATOM 1071 OG SER A 71 18.893 7.553 -9.861 1.00 0.00 O ATOM 0 H SER A 71 19.620 7.658 -7.302 1.00 0.00 H new ATOM 0 HA SER A 71 17.194 8.390 -8.070 1.00 0.00 H new ATOM 0 HB2 SER A 71 18.623 5.812 -8.787 1.00 0.00 H new ATOM 0 HB3 SER A 71 17.204 6.390 -9.637 1.00 0.00 H new ATOM 0 HG SER A 71 19.537 7.004 -10.356 1.00 0.00 H new ATOM 1077 N LYS A 72 16.879 5.419 -6.643 1.00 0.00 N ATOM 1078 CA LYS A 72 15.940 4.537 -5.972 1.00 0.00 C ATOM 1079 C LYS A 72 15.314 5.273 -4.785 1.00 0.00 C ATOM 1080 O LYS A 72 14.093 5.305 -4.646 1.00 0.00 O ATOM 1081 CB LYS A 72 16.621 3.221 -5.589 1.00 0.00 C ATOM 1082 CG LYS A 72 15.782 2.446 -4.570 1.00 0.00 C ATOM 1083 CD LYS A 72 15.935 0.937 -4.769 1.00 0.00 C ATOM 1084 CE LYS A 72 14.610 0.214 -4.519 1.00 0.00 C ATOM 1085 NZ LYS A 72 14.430 -0.888 -5.490 1.00 0.00 N ATOM 0 H LYS A 72 17.827 5.051 -6.723 1.00 0.00 H new ATOM 0 HA LYS A 72 15.126 4.265 -6.644 1.00 0.00 H new ATOM 0 HB2 LYS A 72 16.771 2.612 -6.480 1.00 0.00 H new ATOM 0 HB3 LYS A 72 17.608 3.425 -5.173 1.00 0.00 H new ATOM 0 HG2 LYS A 72 16.089 2.716 -3.560 1.00 0.00 H new ATOM 0 HG3 LYS A 72 14.733 2.725 -4.670 1.00 0.00 H new ATOM 0 HD2 LYS A 72 16.279 0.733 -5.783 1.00 0.00 H new ATOM 0 HD3 LYS A 72 16.697 0.553 -4.091 1.00 0.00 H new ATOM 0 HE2 LYS A 72 14.591 -0.181 -3.503 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.783 0.919 -4.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.526 -1.368 -5.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 14.427 -0.503 -6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 15.210 -1.569 -5.391 1.00 0.00 H new ATOM 1099 N THR A 73 16.179 5.847 -3.962 1.00 0.00 N ATOM 1100 CA THR A 73 15.726 6.581 -2.793 1.00 0.00 C ATOM 1101 C THR A 73 14.804 7.729 -3.209 1.00 0.00 C ATOM 1102 O THR A 73 13.903 8.107 -2.462 1.00 0.00 O ATOM 1103 CB THR A 73 16.961 7.043 -2.018 1.00 0.00 C ATOM 1104 OG1 THR A 73 17.028 6.152 -0.908 1.00 0.00 O ATOM 1105 CG2 THR A 73 16.769 8.420 -1.379 1.00 0.00 C ATOM 0 H THR A 73 17.192 5.819 -4.082 1.00 0.00 H new ATOM 0 HA THR A 73 15.129 5.949 -2.135 1.00 0.00 H new ATOM 0 HB THR A 73 17.821 7.070 -2.687 1.00 0.00 H new ATOM 0 HG1 THR A 73 17.803 6.379 -0.352 1.00 0.00 H new ATOM 0 HG21 THR A 73 17.674 8.701 -0.841 1.00 0.00 H new ATOM 0 HG22 THR A 73 16.565 9.157 -2.156 1.00 0.00 H new ATOM 0 HG23 THR A 73 15.930 8.385 -0.684 1.00 0.00 H new ATOM 1113 N TYR A 74 15.061 8.251 -4.398 1.00 0.00 N ATOM 1114 CA TYR A 74 14.265 9.348 -4.922 1.00 0.00 C ATOM 1115 C TYR A 74 13.224 8.842 -5.922 1.00 0.00 C ATOM 1116 O TYR A 74 12.976 9.481 -6.943 1.00 0.00 O ATOM 1117 CB TYR A 74 15.245 10.272 -5.648 1.00 0.00 C ATOM 1118 CG TYR A 74 16.014 11.216 -4.721 1.00 0.00 C ATOM 1119 CD1 TYR A 74 17.164 10.784 -4.094 1.00 0.00 C ATOM 1120 CD2 TYR A 74 15.554 12.501 -4.512 1.00 0.00 C ATOM 1121 CE1 TYR A 74 17.886 11.673 -3.222 1.00 0.00 C ATOM 1122 CE2 TYR A 74 16.277 13.390 -3.639 1.00 0.00 C ATOM 1123 CZ TYR A 74 17.408 12.932 -3.037 1.00 0.00 C ATOM 1124 OH TYR A 74 18.090 13.773 -2.214 1.00 0.00 O ATOM 0 H TYR A 74 15.810 7.935 -5.014 1.00 0.00 H new ATOM 0 HA TYR A 74 13.732 9.854 -4.117 1.00 0.00 H new ATOM 0 HB2 TYR A 74 15.959 9.663 -6.203 1.00 0.00 H new ATOM 0 HB3 TYR A 74 14.695 10.865 -6.379 1.00 0.00 H new ATOM 0 HD1 TYR A 74 17.523 9.779 -4.257 1.00 0.00 H new ATOM 0 HD2 TYR A 74 14.653 12.839 -5.002 1.00 0.00 H new ATOM 0 HE1 TYR A 74 18.788 11.347 -2.725 1.00 0.00 H new ATOM 0 HE2 TYR A 74 15.929 14.398 -3.466 1.00 0.00 H new ATOM 0 HH TYR A 74 17.632 14.639 -2.179 1.00 0.00 H new ATOM 1134 N ILE A 75 12.642 7.698 -5.594 1.00 0.00 N ATOM 1135 CA ILE A 75 11.633 7.098 -6.451 1.00 0.00 C ATOM 1136 C ILE A 75 10.289 7.091 -5.721 1.00 0.00 C ATOM 1137 O ILE A 75 10.232 6.828 -4.520 1.00 0.00 O ATOM 1138 CB ILE A 75 12.085 5.715 -6.924 1.00 0.00 C ATOM 1139 CG1 ILE A 75 11.470 5.371 -8.281 1.00 0.00 C ATOM 1140 CG2 ILE A 75 11.779 4.649 -5.870 1.00 0.00 C ATOM 1141 CD1 ILE A 75 12.253 4.254 -8.971 1.00 0.00 C ATOM 0 H ILE A 75 12.850 7.170 -4.746 1.00 0.00 H new ATOM 0 HA ILE A 75 11.500 7.690 -7.356 1.00 0.00 H new ATOM 0 HB ILE A 75 13.167 5.736 -7.057 1.00 0.00 H new ATOM 0 HG12 ILE A 75 10.433 5.063 -8.147 1.00 0.00 H new ATOM 0 HG13 ILE A 75 11.460 6.258 -8.915 1.00 0.00 H new ATOM 0 HG21 ILE A 75 12.110 3.675 -6.231 1.00 0.00 H new ATOM 0 HG22 ILE A 75 12.303 4.891 -4.945 1.00 0.00 H new ATOM 0 HG23 ILE A 75 10.706 4.621 -5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 75 11.794 4.029 -9.934 1.00 0.00 H new ATOM 0 HD12 ILE A 75 13.283 4.574 -9.126 1.00 0.00 H new ATOM 0 HD13 ILE A 75 12.241 3.361 -8.346 1.00 0.00 H new ATOM 1153 N ILE A 76 9.240 7.382 -6.475 1.00 0.00 N ATOM 1154 CA ILE A 76 7.899 7.411 -5.915 1.00 0.00 C ATOM 1155 C ILE A 76 7.005 6.442 -6.690 1.00 0.00 C ATOM 1156 O ILE A 76 6.155 5.773 -6.104 1.00 0.00 O ATOM 1157 CB ILE A 76 7.366 8.844 -5.877 1.00 0.00 C ATOM 1158 CG1 ILE A 76 6.799 9.254 -7.238 1.00 0.00 C ATOM 1159 CG2 ILE A 76 8.440 9.817 -5.388 1.00 0.00 C ATOM 1160 CD1 ILE A 76 7.917 9.681 -8.191 1.00 0.00 C ATOM 0 H ILE A 76 9.291 7.600 -7.470 1.00 0.00 H new ATOM 0 HA ILE A 76 7.912 7.072 -4.879 1.00 0.00 H new ATOM 0 HB ILE A 76 6.546 8.884 -5.160 1.00 0.00 H new ATOM 0 HG12 ILE A 76 6.245 8.421 -7.671 1.00 0.00 H new ATOM 0 HG13 ILE A 76 6.093 10.074 -7.110 1.00 0.00 H new ATOM 0 HG21 ILE A 76 8.034 10.828 -5.371 1.00 0.00 H new ATOM 0 HG22 ILE A 76 8.756 9.536 -4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 76 9.297 9.781 -6.061 1.00 0.00 H new ATOM 0 HD11 ILE A 76 7.487 9.967 -9.151 1.00 0.00 H new ATOM 0 HD12 ILE A 76 8.453 10.529 -7.766 1.00 0.00 H new ATOM 0 HD13 ILE A 76 8.608 8.851 -8.336 1.00 0.00 H new ATOM 1172 N GLY A 77 7.228 6.397 -7.995 1.00 0.00 N ATOM 1173 CA GLY A 77 6.453 5.520 -8.857 1.00 0.00 C ATOM 1174 C GLY A 77 6.825 5.728 -10.326 1.00 0.00 C ATOM 1175 O GLY A 77 7.821 6.382 -10.633 1.00 0.00 O ATOM 0 H GLY A 77 7.934 6.953 -8.477 1.00 0.00 H new ATOM 0 HA2 GLY A 77 6.628 4.481 -8.577 1.00 0.00 H new ATOM 0 HA3 GLY A 77 5.389 5.713 -8.716 1.00 0.00 H new ATOM 1179 N GLU A 78 6.003 5.159 -11.197 1.00 0.00 N ATOM 1180 CA GLU A 78 6.232 5.275 -12.627 1.00 0.00 C ATOM 1181 C GLU A 78 5.085 6.041 -13.289 1.00 0.00 C ATOM 1182 O GLU A 78 4.061 6.299 -12.658 1.00 0.00 O ATOM 1183 CB GLU A 78 6.411 3.897 -13.266 1.00 0.00 C ATOM 1184 CG GLU A 78 5.105 3.099 -13.225 1.00 0.00 C ATOM 1185 CD GLU A 78 5.043 2.088 -14.373 1.00 0.00 C ATOM 1186 OE1 GLU A 78 5.799 1.095 -14.294 1.00 0.00 O ATOM 1187 OE2 GLU A 78 4.243 2.332 -15.301 1.00 0.00 O ATOM 0 H GLU A 78 5.178 4.617 -10.939 1.00 0.00 H new ATOM 0 HA GLU A 78 7.154 5.835 -12.783 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.739 4.011 -14.299 1.00 0.00 H new ATOM 0 HB3 GLU A 78 7.193 3.348 -12.742 1.00 0.00 H new ATOM 0 HG2 GLU A 78 5.023 2.577 -12.271 1.00 0.00 H new ATOM 0 HG3 GLU A 78 4.256 3.780 -13.289 1.00 0.00 H new ATOM 1194 N LEU A 79 5.296 6.383 -14.552 1.00 0.00 N ATOM 1195 CA LEU A 79 4.293 7.115 -15.306 1.00 0.00 C ATOM 1196 C LEU A 79 3.562 6.152 -16.243 1.00 0.00 C ATOM 1197 O LEU A 79 4.138 5.163 -16.695 1.00 0.00 O ATOM 1198 CB LEU A 79 4.926 8.309 -16.022 1.00 0.00 C ATOM 1199 CG LEU A 79 5.599 8.006 -17.363 1.00 0.00 C ATOM 1200 CD1 LEU A 79 6.647 6.901 -17.213 1.00 0.00 C ATOM 1201 CD2 LEU A 79 4.561 7.670 -18.435 1.00 0.00 C ATOM 0 H LEU A 79 6.147 6.167 -15.072 1.00 0.00 H new ATOM 0 HA LEU A 79 3.545 7.536 -14.635 1.00 0.00 H new ATOM 0 HB2 LEU A 79 4.153 9.060 -16.187 1.00 0.00 H new ATOM 0 HB3 LEU A 79 5.667 8.755 -15.358 1.00 0.00 H new ATOM 0 HG LEU A 79 6.122 8.904 -17.693 1.00 0.00 H new ATOM 0 HD11 LEU A 79 7.110 6.705 -18.180 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.411 7.218 -16.503 1.00 0.00 H new ATOM 0 HD13 LEU A 79 6.168 5.992 -16.849 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.066 7.459 -19.377 1.00 0.00 H new ATOM 0 HD22 LEU A 79 3.989 6.795 -18.126 1.00 0.00 H new ATOM 0 HD23 LEU A 79 3.887 8.516 -18.566 1.00 0.00 H new ATOM 1213 N HIS A 80 2.304 6.474 -16.508 1.00 0.00 N ATOM 1214 CA HIS A 80 1.489 5.649 -17.384 1.00 0.00 C ATOM 1215 C HIS A 80 2.272 5.322 -18.656 1.00 0.00 C ATOM 1216 O HIS A 80 2.563 6.210 -19.456 1.00 0.00 O ATOM 1217 CB HIS A 80 0.146 6.324 -17.670 1.00 0.00 C ATOM 1218 CG HIS A 80 -1.034 5.384 -17.632 1.00 0.00 C ATOM 1219 ND1 HIS A 80 -2.257 5.692 -18.202 1.00 0.00 N ATOM 1220 CD2 HIS A 80 -1.166 4.140 -17.088 1.00 0.00 C ATOM 1221 CE1 HIS A 80 -3.080 4.673 -18.003 1.00 0.00 C ATOM 1222 NE2 HIS A 80 -2.402 3.713 -17.312 1.00 0.00 N ATOM 0 H HIS A 80 1.829 7.295 -16.132 1.00 0.00 H new ATOM 0 HA HIS A 80 1.257 4.705 -16.890 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -0.012 7.119 -16.941 1.00 0.00 H new ATOM 0 HB3 HIS A 80 0.190 6.796 -18.652 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -0.395 3.595 -16.564 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -4.107 4.613 -18.331 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -2.783 2.814 -17.016 1.00 0.00 H new