USER MOD reduce.3.24.130724 H: found=0, std=0, add=579, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 575 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 39 HIS : no HE2:sc= 1.06 K(o=1.4,f=-3.1!) USER MOD Set 1.2: A 63 HIS : no HE2:sc= 0.304 K(o=1.4,f=-2.9!) 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 30:sc=-0.00999 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0.0924 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc=-0.00269 X(o=-0.0027,f=-0.2) USER MOD Single : A 16 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0126) USER MOD Single : A 20 SER OG : rot -79:sc= 0.367 USER MOD Single : A 21 THR OG1 : rot 130:sc= -0.0237 USER MOD Single : A 26 HIS : no HE2:sc= -0.389 K(o=-0.39,f=-4.2!) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=-0.05) USER MOD Single : A 28 LYS NZ :NH3+ -145:sc= 1.07 (180deg=0.331) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -120:sc= 0.312 USER MOD Single : A 34 LYS NZ :NH3+ -146:sc= -0.0395 (180deg=-0.604) USER MOD Single : A 49 GLN : amide:sc= -0.131 K(o=-0.13,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 80:sc= -0.0169 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0155 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= -0.0016 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 -128:sc= 1.45 USER MOD Single : A 80 HIS : no HD1:sc= -1.41 X(o=-1.4,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 65 N LYS A 5 0.999 -8.629 -11.192 1.00 0.00 N ATOM 66 CA LYS A 5 1.676 -9.246 -10.064 1.00 0.00 C ATOM 67 C LYS A 5 0.616 -9.533 -8.996 1.00 0.00 C ATOM 68 O LYS A 5 0.494 -8.806 -8.017 1.00 0.00 O ATOM 69 CB LYS A 5 2.887 -8.397 -9.630 1.00 0.00 C ATOM 70 CG LYS A 5 4.221 -8.984 -10.119 1.00 0.00 C ATOM 71 CD LYS A 5 5.309 -7.917 -10.310 1.00 0.00 C ATOM 72 CE LYS A 5 5.826 -7.347 -8.982 1.00 0.00 C ATOM 73 NZ LYS A 5 6.837 -6.293 -9.197 1.00 0.00 N ATOM 0 HA LYS A 5 2.129 -10.206 -10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 5 2.775 -7.385 -10.018 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.903 -8.322 -8.543 1.00 0.00 H new ATOM 0 HG2 LYS A 5 4.570 -9.727 -9.402 1.00 0.00 H new ATOM 0 HG3 LYS A 5 4.059 -9.504 -11.063 1.00 0.00 H new ATOM 0 HD2 LYS A 5 6.143 -8.350 -10.863 1.00 0.00 H new ATOM 0 HD3 LYS A 5 4.911 -7.104 -10.918 1.00 0.00 H new ATOM 0 HE2 LYS A 5 4.991 -6.940 -8.411 1.00 0.00 H new ATOM 0 HE3 LYS A 5 6.259 -8.150 -8.385 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 7.163 -5.932 -8.278 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 7.645 -6.688 -9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 6.417 -5.515 -9.745 1.00 0.00 H new ATOM 87 N TYR A 6 -0.210 -10.555 -9.246 1.00 0.00 N ATOM 88 CA TYR A 6 -1.310 -10.944 -8.369 1.00 0.00 C ATOM 89 C TYR A 6 -0.767 -11.536 -7.062 1.00 0.00 C ATOM 90 O TYR A 6 -0.306 -12.675 -7.063 1.00 0.00 O ATOM 91 CB TYR A 6 -2.256 -11.919 -9.087 1.00 0.00 C ATOM 92 CG TYR A 6 -2.914 -11.338 -10.322 1.00 0.00 C ATOM 93 CD1 TYR A 6 -3.953 -10.399 -10.180 1.00 0.00 C ATOM 94 CD2 TYR A 6 -2.492 -11.725 -11.607 1.00 0.00 C ATOM 95 CE1 TYR A 6 -4.539 -9.818 -11.318 1.00 0.00 C ATOM 96 CE2 TYR A 6 -3.114 -11.176 -12.743 1.00 0.00 C ATOM 97 CZ TYR A 6 -4.116 -10.206 -12.599 1.00 0.00 C ATOM 98 OH TYR A 6 -4.667 -9.641 -13.709 1.00 0.00 O ATOM 0 H TYR A 6 -0.128 -11.141 -10.077 1.00 0.00 H new ATOM 0 HA TYR A 6 -1.889 -10.056 -8.114 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -1.696 -12.810 -9.371 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -3.031 -12.238 -8.390 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -4.301 -10.124 -9.195 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -1.692 -12.442 -11.721 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -5.314 -9.074 -11.207 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -2.819 -11.503 -13.729 1.00 0.00 H new ATOM 0 HH TYR A 6 -4.256 -10.026 -14.511 1.00 0.00 H new ATOM 108 N TYR A 7 -0.816 -10.778 -5.961 1.00 0.00 N ATOM 109 CA TYR A 7 -0.261 -11.173 -4.670 1.00 0.00 C ATOM 110 C TYR A 7 -1.366 -11.430 -3.649 1.00 0.00 C ATOM 111 O TYR A 7 -2.356 -10.702 -3.594 1.00 0.00 O ATOM 112 CB TYR A 7 0.686 -10.086 -4.156 1.00 0.00 C ATOM 113 CG TYR A 7 2.023 -10.036 -4.860 1.00 0.00 C ATOM 114 CD1 TYR A 7 2.913 -11.114 -4.707 1.00 0.00 C ATOM 115 CD2 TYR A 7 2.431 -8.885 -5.554 1.00 0.00 C ATOM 116 CE1 TYR A 7 4.184 -11.072 -5.299 1.00 0.00 C ATOM 117 CE2 TYR A 7 3.721 -8.828 -6.109 1.00 0.00 C ATOM 118 CZ TYR A 7 4.580 -9.936 -6.020 1.00 0.00 C ATOM 119 OH TYR A 7 5.820 -9.880 -6.583 1.00 0.00 O ATOM 0 H TYR A 7 -1.252 -9.856 -5.946 1.00 0.00 H new ATOM 0 HA TYR A 7 0.294 -12.101 -4.808 1.00 0.00 H new ATOM 0 HB2 TYR A 7 0.198 -9.117 -4.261 1.00 0.00 H new ATOM 0 HB3 TYR A 7 0.856 -10.244 -3.091 1.00 0.00 H new ATOM 0 HD1 TYR A 7 2.617 -11.978 -4.131 1.00 0.00 H new ATOM 0 HD2 TYR A 7 1.757 -8.048 -5.661 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.856 -11.912 -5.200 1.00 0.00 H new ATOM 0 HE2 TYR A 7 4.053 -7.929 -6.606 1.00 0.00 H new ATOM 0 HH TYR A 7 6.112 -10.785 -6.821 1.00 0.00 H new ATOM 129 N THR A 8 -1.192 -12.471 -2.835 1.00 0.00 N ATOM 130 CA THR A 8 -2.120 -12.887 -1.797 1.00 0.00 C ATOM 131 C THR A 8 -1.803 -12.175 -0.483 1.00 0.00 C ATOM 132 O THR A 8 -0.637 -11.867 -0.229 1.00 0.00 O ATOM 133 CB THR A 8 -1.903 -14.391 -1.584 1.00 0.00 C ATOM 134 OG1 THR A 8 -0.508 -14.627 -1.522 1.00 0.00 O ATOM 135 CG2 THR A 8 -2.470 -15.224 -2.731 1.00 0.00 C ATOM 0 H THR A 8 -0.366 -13.068 -2.887 1.00 0.00 H new ATOM 0 HA THR A 8 -3.143 -12.651 -2.092 1.00 0.00 H new ATOM 0 HB THR A 8 -2.415 -14.681 -0.667 1.00 0.00 H new ATOM 0 HG1 THR A 8 -0.344 -15.583 -1.384 1.00 0.00 H new ATOM 0 HG21 THR A 8 -2.292 -16.281 -2.535 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.542 -15.046 -2.815 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.981 -14.940 -3.663 1.00 0.00 H new ATOM 143 N LEU A 9 -2.815 -12.006 0.381 1.00 0.00 N ATOM 144 CA LEU A 9 -2.694 -11.357 1.676 1.00 0.00 C ATOM 145 C LEU A 9 -1.461 -11.864 2.420 1.00 0.00 C ATOM 146 O LEU A 9 -0.598 -11.066 2.761 1.00 0.00 O ATOM 147 CB LEU A 9 -3.952 -11.575 2.530 1.00 0.00 C ATOM 148 CG LEU A 9 -5.279 -10.999 2.003 1.00 0.00 C ATOM 149 CD1 LEU A 9 -5.148 -9.565 1.480 1.00 0.00 C ATOM 150 CD2 LEU A 9 -5.935 -11.890 0.945 1.00 0.00 C ATOM 0 H LEU A 9 -3.762 -12.329 0.184 1.00 0.00 H new ATOM 0 HA LEU A 9 -2.584 -10.287 1.499 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.083 -12.648 2.668 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -3.768 -11.147 3.515 1.00 0.00 H new ATOM 0 HG LEU A 9 -5.934 -10.974 2.874 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -6.118 -9.218 1.123 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -4.803 -8.915 2.284 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -4.430 -9.541 0.660 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -6.866 -11.433 0.611 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -5.261 -12.003 0.096 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -6.145 -12.870 1.374 1.00 0.00 H new ATOM 162 N GLU A 10 -1.367 -13.180 2.638 1.00 0.00 N ATOM 163 CA GLU A 10 -0.264 -13.815 3.355 1.00 0.00 C ATOM 164 C GLU A 10 1.096 -13.312 2.857 1.00 0.00 C ATOM 165 O GLU A 10 1.913 -12.833 3.641 1.00 0.00 O ATOM 166 CB GLU A 10 -0.374 -15.347 3.234 1.00 0.00 C ATOM 167 CG GLU A 10 -0.415 -16.006 4.618 1.00 0.00 C ATOM 168 CD GLU A 10 -0.556 -17.519 4.514 1.00 0.00 C ATOM 169 OE1 GLU A 10 0.214 -18.103 3.723 1.00 0.00 O ATOM 170 OE2 GLU A 10 -1.426 -18.058 5.231 1.00 0.00 O ATOM 0 H GLU A 10 -2.071 -13.843 2.313 1.00 0.00 H new ATOM 0 HA GLU A 10 -0.335 -13.542 4.408 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -1.274 -15.608 2.676 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.474 -15.733 2.669 1.00 0.00 H new ATOM 0 HG2 GLU A 10 0.495 -15.762 5.165 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.249 -15.601 5.190 1.00 0.00 H new ATOM 177 N GLU A 11 1.329 -13.416 1.545 1.00 0.00 N ATOM 178 CA GLU A 11 2.572 -12.983 0.928 1.00 0.00 C ATOM 179 C GLU A 11 2.798 -11.494 1.186 1.00 0.00 C ATOM 180 O GLU A 11 3.860 -11.092 1.655 1.00 0.00 O ATOM 181 CB GLU A 11 2.580 -13.339 -0.567 1.00 0.00 C ATOM 182 CG GLU A 11 3.946 -13.044 -1.205 1.00 0.00 C ATOM 183 CD GLU A 11 4.331 -14.101 -2.232 1.00 0.00 C ATOM 184 OE1 GLU A 11 4.878 -15.133 -1.791 1.00 0.00 O ATOM 185 OE2 GLU A 11 4.070 -13.860 -3.430 1.00 0.00 O ATOM 0 H GLU A 11 0.655 -13.805 0.885 1.00 0.00 H new ATOM 0 HA GLU A 11 3.409 -13.514 1.381 1.00 0.00 H new ATOM 0 HB2 GLU A 11 2.338 -14.394 -0.693 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.806 -12.771 -1.082 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.920 -12.065 -1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.708 -12.998 -0.427 1.00 0.00 H new ATOM 192 N ILE A 12 1.786 -10.662 0.942 1.00 0.00 N ATOM 193 CA ILE A 12 1.901 -9.228 1.188 1.00 0.00 C ATOM 194 C ILE A 12 2.247 -8.977 2.665 1.00 0.00 C ATOM 195 O ILE A 12 3.087 -8.135 2.980 1.00 0.00 O ATOM 196 CB ILE A 12 0.617 -8.512 0.733 1.00 0.00 C ATOM 197 CG1 ILE A 12 0.325 -8.806 -0.751 1.00 0.00 C ATOM 198 CG2 ILE A 12 0.742 -6.993 0.942 1.00 0.00 C ATOM 199 CD1 ILE A 12 -1.167 -8.677 -1.060 1.00 0.00 C ATOM 0 H ILE A 12 0.881 -10.957 0.575 1.00 0.00 H new ATOM 0 HA ILE A 12 2.717 -8.808 0.600 1.00 0.00 H new ATOM 0 HB ILE A 12 -0.208 -8.889 1.337 1.00 0.00 H new ATOM 0 HG12 ILE A 12 0.889 -8.116 -1.378 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.664 -9.812 -0.998 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -0.175 -6.504 0.615 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.908 -6.784 1.999 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.583 -6.614 0.361 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -1.340 -8.891 -2.115 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -1.728 -9.385 -0.450 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -1.499 -7.663 -0.836 1.00 0.00 H new ATOM 211 N GLN A 13 1.667 -9.764 3.575 1.00 0.00 N ATOM 212 CA GLN A 13 1.911 -9.711 5.005 1.00 0.00 C ATOM 213 C GLN A 13 3.349 -10.081 5.379 1.00 0.00 C ATOM 214 O GLN A 13 3.755 -9.862 6.519 1.00 0.00 O ATOM 215 CB GLN A 13 0.889 -10.599 5.734 1.00 0.00 C ATOM 216 CG GLN A 13 0.016 -9.788 6.698 1.00 0.00 C ATOM 217 CD GLN A 13 -0.983 -10.690 7.415 1.00 0.00 C ATOM 218 OE1 GLN A 13 -2.147 -10.768 7.039 1.00 0.00 O ATOM 219 NE2 GLN A 13 -0.535 -11.392 8.452 1.00 0.00 N ATOM 0 H GLN A 13 0.989 -10.481 3.318 1.00 0.00 H new ATOM 0 HA GLN A 13 1.783 -8.678 5.327 1.00 0.00 H new ATOM 0 HB2 GLN A 13 0.255 -11.099 5.002 1.00 0.00 H new ATOM 0 HB3 GLN A 13 1.414 -11.378 6.287 1.00 0.00 H new ATOM 0 HG2 GLN A 13 0.647 -9.283 7.430 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -0.517 -9.013 6.148 1.00 0.00 H new ATOM 0 HE21 GLN A 13 0.439 -11.307 8.743 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -1.165 -12.015 8.957 1.00 0.00 H new ATOM 228 N LYS A 14 4.140 -10.629 4.450 1.00 0.00 N ATOM 229 CA LYS A 14 5.560 -10.825 4.682 1.00 0.00 C ATOM 230 C LYS A 14 6.280 -9.480 4.569 1.00 0.00 C ATOM 231 O LYS A 14 7.199 -9.206 5.342 1.00 0.00 O ATOM 232 CB LYS A 14 6.124 -11.879 3.720 1.00 0.00 C ATOM 233 CG LYS A 14 5.504 -13.270 3.945 1.00 0.00 C ATOM 234 CD LYS A 14 5.944 -13.847 5.302 1.00 0.00 C ATOM 235 CE LYS A 14 5.981 -15.384 5.294 1.00 0.00 C ATOM 236 NZ LYS A 14 6.830 -15.913 6.383 1.00 0.00 N ATOM 0 H LYS A 14 3.814 -10.941 3.535 1.00 0.00 H new ATOM 0 HA LYS A 14 5.723 -11.208 5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 14 5.941 -11.564 2.693 1.00 0.00 H new ATOM 0 HB3 LYS A 14 7.205 -11.941 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 14 4.417 -13.199 3.909 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.806 -13.943 3.143 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.932 -13.463 5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.260 -13.506 6.079 1.00 0.00 H new ATOM 0 HE2 LYS A 14 4.968 -15.774 5.399 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.359 -15.735 4.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.832 -16.952 6.348 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.802 -15.561 6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.454 -15.599 7.300 1.00 0.00 H new ATOM 250 N HIS A 15 5.829 -8.593 3.677 1.00 0.00 N ATOM 251 CA HIS A 15 6.430 -7.279 3.459 1.00 0.00 C ATOM 252 C HIS A 15 5.958 -6.269 4.515 1.00 0.00 C ATOM 253 O HIS A 15 5.655 -5.116 4.204 1.00 0.00 O ATOM 254 CB HIS A 15 6.112 -6.821 2.032 1.00 0.00 C ATOM 255 CG HIS A 15 6.890 -7.564 0.981 1.00 0.00 C ATOM 256 ND1 HIS A 15 7.972 -7.065 0.293 1.00 0.00 N ATOM 257 CD2 HIS A 15 6.684 -8.851 0.562 1.00 0.00 C ATOM 258 CE1 HIS A 15 8.405 -8.034 -0.530 1.00 0.00 C ATOM 259 NE2 HIS A 15 7.660 -9.143 -0.397 1.00 0.00 N ATOM 0 H HIS A 15 5.023 -8.773 3.078 1.00 0.00 H new ATOM 0 HA HIS A 15 7.512 -7.346 3.569 1.00 0.00 H new ATOM 0 HB2 HIS A 15 5.046 -6.951 1.845 1.00 0.00 H new ATOM 0 HB3 HIS A 15 6.323 -5.755 1.945 1.00 0.00 H new ATOM 0 HD2 HIS A 15 5.909 -9.519 0.909 1.00 0.00 H new ATOM 0 HE1 HIS A 15 9.240 -7.935 -1.208 1.00 0.00 H new ATOM 0 HE2 HIS A 15 7.782 -10.024 -0.896 1.00 0.00 H new ATOM 267 N LYS A 16 5.920 -6.713 5.774 1.00 0.00 N ATOM 268 CA LYS A 16 5.603 -5.904 6.942 1.00 0.00 C ATOM 269 C LYS A 16 6.883 -5.523 7.689 1.00 0.00 C ATOM 270 O LYS A 16 6.885 -4.582 8.479 1.00 0.00 O ATOM 271 CB LYS A 16 4.611 -6.673 7.834 1.00 0.00 C ATOM 272 CG LYS A 16 5.229 -7.850 8.613 1.00 0.00 C ATOM 273 CD LYS A 16 5.472 -7.457 10.081 1.00 0.00 C ATOM 274 CE LYS A 16 6.501 -8.342 10.801 1.00 0.00 C ATOM 275 NZ LYS A 16 6.163 -9.777 10.748 1.00 0.00 N ATOM 0 H LYS A 16 6.118 -7.685 6.011 1.00 0.00 H new ATOM 0 HA LYS A 16 5.129 -4.972 6.635 1.00 0.00 H new ATOM 0 HB2 LYS A 16 4.167 -5.977 8.545 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.801 -7.052 7.211 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.565 -8.713 8.567 1.00 0.00 H new ATOM 0 HG3 LYS A 16 6.170 -8.147 8.149 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.809 -6.421 10.118 1.00 0.00 H new ATOM 0 HD3 LYS A 16 4.526 -7.504 10.621 1.00 0.00 H new ATOM 0 HE2 LYS A 16 7.482 -8.188 10.352 1.00 0.00 H new ATOM 0 HE3 LYS A 16 6.575 -8.030 11.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.864 -10.319 11.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.218 -9.926 11.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.169 -10.099 9.759 1.00 0.00 H new ATOM 334 N SER A 20 11.232 -3.242 2.591 1.00 0.00 N ATOM 335 CA SER A 20 10.323 -2.699 1.583 1.00 0.00 C ATOM 336 C SER A 20 8.896 -2.651 2.132 1.00 0.00 C ATOM 337 O SER A 20 8.202 -3.664 2.159 1.00 0.00 O ATOM 338 CB SER A 20 10.410 -3.392 0.212 1.00 0.00 C ATOM 339 OG SER A 20 10.234 -2.446 -0.837 1.00 0.00 O ATOM 0 HA SER A 20 10.651 -1.680 1.380 1.00 0.00 H new ATOM 0 HB2 SER A 20 11.377 -3.884 0.107 1.00 0.00 H new ATOM 0 HB3 SER A 20 9.648 -4.168 0.141 1.00 0.00 H new ATOM 0 HG SER A 20 9.280 -2.248 -0.942 1.00 0.00 H new ATOM 345 N THR A 21 8.468 -1.472 2.586 1.00 0.00 N ATOM 346 CA THR A 21 7.125 -1.233 3.068 1.00 0.00 C ATOM 347 C THR A 21 6.150 -1.274 1.893 1.00 0.00 C ATOM 348 O THR A 21 6.028 -0.321 1.118 1.00 0.00 O ATOM 349 CB THR A 21 7.111 0.092 3.835 1.00 0.00 C ATOM 350 OG1 THR A 21 7.735 -0.138 5.083 1.00 0.00 O ATOM 351 CG2 THR A 21 5.695 0.631 4.040 1.00 0.00 C ATOM 0 H THR A 21 9.065 -0.646 2.626 1.00 0.00 H new ATOM 0 HA THR A 21 6.801 -2.009 3.761 1.00 0.00 H new ATOM 0 HB THR A 21 7.643 0.848 3.258 1.00 0.00 H new ATOM 0 HG1 THR A 21 8.420 0.546 5.237 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.740 1.572 4.589 1.00 0.00 H new ATOM 0 HG22 THR A 21 5.225 0.798 3.071 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.109 -0.092 4.607 1.00 0.00 H new ATOM 359 N TRP A 22 5.449 -2.402 1.793 1.00 0.00 N ATOM 360 CA TRP A 22 4.319 -2.571 0.904 1.00 0.00 C ATOM 361 C TRP A 22 3.059 -2.158 1.647 1.00 0.00 C ATOM 362 O TRP A 22 3.033 -2.169 2.877 1.00 0.00 O ATOM 363 CB TRP A 22 4.233 -4.029 0.475 1.00 0.00 C ATOM 364 CG TRP A 22 5.305 -4.493 -0.465 1.00 0.00 C ATOM 365 CD1 TRP A 22 6.507 -3.911 -0.682 1.00 0.00 C ATOM 366 CD2 TRP A 22 5.216 -5.573 -1.431 1.00 0.00 C ATOM 367 NE1 TRP A 22 7.142 -4.537 -1.730 1.00 0.00 N ATOM 368 CE2 TRP A 22 6.395 -5.577 -2.228 1.00 0.00 C ATOM 369 CE3 TRP A 22 4.213 -6.502 -1.760 1.00 0.00 C ATOM 370 CZ2 TRP A 22 6.577 -6.461 -3.297 1.00 0.00 C ATOM 371 CZ3 TRP A 22 4.393 -7.419 -2.812 1.00 0.00 C ATOM 372 CH2 TRP A 22 5.575 -7.402 -3.575 1.00 0.00 C ATOM 0 H TRP A 22 5.661 -3.235 2.341 1.00 0.00 H new ATOM 0 HA TRP A 22 4.433 -1.953 0.013 1.00 0.00 H new ATOM 0 HB2 TRP A 22 4.262 -4.654 1.368 1.00 0.00 H new ATOM 0 HB3 TRP A 22 3.265 -4.193 0.003 1.00 0.00 H new ATOM 0 HD1 TRP A 22 6.907 -3.081 -0.118 1.00 0.00 H new ATOM 0 HE1 TRP A 22 8.055 -4.263 -2.093 1.00 0.00 H new ATOM 0 HE3 TRP A 22 3.291 -6.512 -1.197 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 7.474 -6.419 -3.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 3.620 -8.140 -3.035 1.00 0.00 H new ATOM 0 HH2 TRP A 22 5.711 -8.114 -4.375 1.00 0.00 H new ATOM 383 N VAL A 23 2.011 -1.824 0.901 1.00 0.00 N ATOM 384 CA VAL A 23 0.677 -1.581 1.422 1.00 0.00 C ATOM 385 C VAL A 23 -0.305 -1.930 0.308 1.00 0.00 C ATOM 386 O VAL A 23 -0.013 -1.656 -0.858 1.00 0.00 O ATOM 387 CB VAL A 23 0.510 -0.112 1.864 1.00 0.00 C ATOM 388 CG1 VAL A 23 0.991 0.134 3.300 1.00 0.00 C ATOM 389 CG2 VAL A 23 1.209 0.885 0.931 1.00 0.00 C ATOM 0 H VAL A 23 2.072 -1.713 -0.111 1.00 0.00 H new ATOM 0 HA VAL A 23 0.494 -2.193 2.305 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.565 0.062 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.849 1.184 3.556 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.418 -0.488 3.987 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.048 -0.119 3.378 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.052 1.899 1.299 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.277 0.670 0.903 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.795 0.795 -0.073 1.00 0.00 H new ATOM 399 N ILE A 24 -1.452 -2.536 0.637 1.00 0.00 N ATOM 400 CA ILE A 24 -2.523 -2.702 -0.330 1.00 0.00 C ATOM 401 C ILE A 24 -3.643 -1.727 -0.035 1.00 0.00 C ATOM 402 O ILE A 24 -4.047 -1.611 1.123 1.00 0.00 O ATOM 403 CB ILE A 24 -3.000 -4.145 -0.445 1.00 0.00 C ATOM 404 CG1 ILE A 24 -3.775 -4.669 0.763 1.00 0.00 C ATOM 405 CG2 ILE A 24 -1.795 -5.046 -0.699 1.00 0.00 C ATOM 406 CD1 ILE A 24 -5.291 -4.408 0.730 1.00 0.00 C ATOM 0 H ILE A 24 -1.654 -2.915 1.562 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.126 -2.465 -1.317 1.00 0.00 H new ATOM 0 HB ILE A 24 -3.706 -4.161 -1.275 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.609 -5.743 0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.363 -4.214 1.664 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -2.126 -6.081 -0.783 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -1.305 -4.746 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -1.092 -4.956 0.129 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -5.750 -4.817 1.630 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -5.474 -3.334 0.685 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -5.724 -4.887 -0.148 1.00 0.00 H new ATOM 418 N LEU A 25 -4.112 -1.012 -1.065 1.00 0.00 N ATOM 419 CA LEU A 25 -5.191 -0.048 -0.910 1.00 0.00 C ATOM 420 C LEU A 25 -6.265 -0.287 -1.975 1.00 0.00 C ATOM 421 O LEU A 25 -6.018 -0.054 -3.156 1.00 0.00 O ATOM 422 CB LEU A 25 -4.683 1.401 -0.904 1.00 0.00 C ATOM 423 CG LEU A 25 -3.407 1.655 -0.083 1.00 0.00 C ATOM 424 CD1 LEU A 25 -3.107 3.146 -0.106 1.00 0.00 C ATOM 425 CD2 LEU A 25 -3.498 1.260 1.389 1.00 0.00 C ATOM 0 H LEU A 25 -3.754 -1.089 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 25 -5.646 -0.201 0.069 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -4.498 1.706 -1.934 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.475 2.043 -0.519 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.638 1.036 -0.545 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -2.204 3.344 0.472 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -2.958 3.471 -1.136 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -3.944 3.692 0.329 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.551 1.477 1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.296 1.827 1.869 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.712 0.194 1.467 1.00 0.00 H new ATOM 437 N HIS A 26 -7.450 -0.752 -1.555 1.00 0.00 N ATOM 438 CA HIS A 26 -8.601 -1.013 -2.422 1.00 0.00 C ATOM 439 C HIS A 26 -8.243 -1.894 -3.617 1.00 0.00 C ATOM 440 O HIS A 26 -8.475 -1.510 -4.761 1.00 0.00 O ATOM 441 CB HIS A 26 -9.254 0.292 -2.900 1.00 0.00 C ATOM 442 CG HIS A 26 -9.948 1.057 -1.813 1.00 0.00 C ATOM 443 ND1 HIS A 26 -11.299 1.034 -1.546 1.00 0.00 N ATOM 444 CD2 HIS A 26 -9.366 1.965 -0.977 1.00 0.00 C ATOM 445 CE1 HIS A 26 -11.527 1.917 -0.561 1.00 0.00 C ATOM 446 NE2 HIS A 26 -10.383 2.516 -0.198 1.00 0.00 N ATOM 0 H HIS A 26 -7.636 -0.962 -0.574 1.00 0.00 H new ATOM 0 HA HIS A 26 -9.322 -1.560 -1.814 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.489 0.927 -3.347 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -9.974 0.060 -3.685 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -11.997 0.453 -2.011 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -8.315 2.211 -0.928 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.494 2.117 -0.123 1.00 0.00 H new ATOM 454 N HIS A 27 -7.749 -3.104 -3.345 1.00 0.00 N ATOM 455 CA HIS A 27 -7.373 -4.064 -4.374 1.00 0.00 C ATOM 456 C HIS A 27 -6.331 -3.440 -5.298 1.00 0.00 C ATOM 457 O HIS A 27 -6.658 -3.009 -6.403 1.00 0.00 O ATOM 458 CB HIS A 27 -8.587 -4.565 -5.168 1.00 0.00 C ATOM 459 CG HIS A 27 -9.761 -4.956 -4.316 1.00 0.00 C ATOM 460 ND1 HIS A 27 -10.741 -4.093 -3.886 1.00 0.00 N ATOM 461 CD2 HIS A 27 -10.087 -6.215 -3.890 1.00 0.00 C ATOM 462 CE1 HIS A 27 -11.649 -4.821 -3.219 1.00 0.00 C ATOM 463 NE2 HIS A 27 -11.306 -6.118 -3.216 1.00 0.00 N ATOM 0 H HIS A 27 -7.599 -3.444 -2.395 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.942 -4.937 -3.884 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.900 -3.785 -5.862 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.286 -5.424 -5.768 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.510 -7.114 -4.046 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.534 -4.418 -2.749 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.834 -6.886 -2.801 1.00 0.00 H new ATOM 471 N LYS A 28 -5.094 -3.361 -4.799 1.00 0.00 N ATOM 472 CA LYS A 28 -3.920 -2.909 -5.522 1.00 0.00 C ATOM 473 C LYS A 28 -2.755 -2.895 -4.555 1.00 0.00 C ATOM 474 O LYS A 28 -2.846 -2.250 -3.510 1.00 0.00 O ATOM 475 CB LYS A 28 -4.118 -1.507 -6.113 1.00 0.00 C ATOM 476 CG LYS A 28 -4.386 -1.606 -7.617 1.00 0.00 C ATOM 477 CD LYS A 28 -5.401 -0.575 -8.126 1.00 0.00 C ATOM 478 CE LYS A 28 -6.265 -1.194 -9.236 1.00 0.00 C ATOM 479 NZ LYS A 28 -5.465 -1.916 -10.247 1.00 0.00 N ATOM 0 H LYS A 28 -4.883 -3.624 -3.836 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.733 -3.587 -6.355 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.952 -1.009 -5.619 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -3.232 -0.899 -5.932 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.447 -1.476 -8.155 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.750 -2.607 -7.848 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.034 -0.240 -7.305 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -4.880 0.304 -8.506 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.984 -1.881 -8.790 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -6.838 -0.407 -9.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.902 -1.799 -11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.499 -1.531 -10.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.431 -2.927 -10.005 1.00 0.00 H new ATOM 493 N VAL A 29 -1.686 -3.613 -4.910 1.00 0.00 N ATOM 494 CA VAL A 29 -0.493 -3.713 -4.099 1.00 0.00 C ATOM 495 C VAL A 29 0.441 -2.590 -4.537 1.00 0.00 C ATOM 496 O VAL A 29 0.915 -2.570 -5.677 1.00 0.00 O ATOM 497 CB VAL A 29 0.137 -5.110 -4.230 1.00 0.00 C ATOM 498 CG1 VAL A 29 1.287 -5.256 -3.226 1.00 0.00 C ATOM 499 CG2 VAL A 29 -0.878 -6.237 -3.974 1.00 0.00 C ATOM 0 H VAL A 29 -1.635 -4.143 -5.780 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.717 -3.596 -3.039 1.00 0.00 H new ATOM 0 HB VAL A 29 0.498 -5.201 -5.254 1.00 0.00 H new ATOM 0 HG11 VAL A 29 1.730 -6.247 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.044 -4.498 -3.428 1.00 0.00 H new ATOM 0 HG13 VAL A 29 0.905 -5.126 -2.214 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.383 -7.203 -4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.280 -6.142 -2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -1.691 -6.166 -4.697 1.00 0.00 H new ATOM 509 N TYR A 30 0.660 -1.634 -3.635 1.00 0.00 N ATOM 510 CA TYR A 30 1.494 -0.475 -3.864 1.00 0.00 C ATOM 511 C TYR A 30 2.761 -0.656 -3.022 1.00 0.00 C ATOM 512 O TYR A 30 2.680 -0.733 -1.793 1.00 0.00 O ATOM 513 CB TYR A 30 0.681 0.782 -3.514 1.00 0.00 C ATOM 514 CG TYR A 30 -0.600 0.949 -4.327 1.00 0.00 C ATOM 515 CD1 TYR A 30 -0.529 1.026 -5.727 1.00 0.00 C ATOM 516 CD2 TYR A 30 -1.858 1.054 -3.702 1.00 0.00 C ATOM 517 CE1 TYR A 30 -1.682 1.276 -6.491 1.00 0.00 C ATOM 518 CE2 TYR A 30 -3.002 1.368 -4.463 1.00 0.00 C ATOM 519 CZ TYR A 30 -2.901 1.531 -5.853 1.00 0.00 C ATOM 520 OH TYR A 30 -3.992 1.909 -6.582 1.00 0.00 O ATOM 0 H TYR A 30 0.247 -1.653 -2.703 1.00 0.00 H new ATOM 0 HA TYR A 30 1.803 -0.362 -4.903 1.00 0.00 H new ATOM 0 HB2 TYR A 30 0.424 0.751 -2.455 1.00 0.00 H new ATOM 0 HB3 TYR A 30 1.309 1.660 -3.664 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.421 0.892 -6.222 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -1.946 0.894 -2.638 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -1.627 1.271 -7.570 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -3.959 1.483 -3.975 1.00 0.00 H new ATOM 0 HH TYR A 30 -4.755 2.044 -5.982 1.00 0.00 H new ATOM 530 N ASP A 31 3.922 -0.779 -3.679 1.00 0.00 N ATOM 531 CA ASP A 31 5.209 -0.813 -2.989 1.00 0.00 C ATOM 532 C ASP A 31 5.636 0.630 -2.844 1.00 0.00 C ATOM 533 O ASP A 31 5.796 1.323 -3.850 1.00 0.00 O ATOM 534 CB ASP A 31 6.272 -1.600 -3.761 1.00 0.00 C ATOM 535 CG ASP A 31 7.541 -1.868 -2.946 1.00 0.00 C ATOM 536 OD1 ASP A 31 7.733 -1.247 -1.876 1.00 0.00 O ATOM 537 OD2 ASP A 31 8.287 -2.787 -3.350 1.00 0.00 O ATOM 0 H ASP A 31 3.991 -0.857 -4.694 1.00 0.00 H new ATOM 0 HA ASP A 31 5.105 -1.319 -2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.848 -2.551 -4.082 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.538 -1.049 -4.663 1.00 0.00 H new ATOM 542 N LEU A 32 5.746 1.100 -1.607 1.00 0.00 N ATOM 543 CA LEU A 32 6.169 2.454 -1.362 1.00 0.00 C ATOM 544 C LEU A 32 7.665 2.402 -1.046 1.00 0.00 C ATOM 545 O LEU A 32 8.472 2.287 -1.964 1.00 0.00 O ATOM 546 CB LEU A 32 5.253 3.081 -0.302 1.00 0.00 C ATOM 547 CG LEU A 32 3.779 3.257 -0.758 1.00 0.00 C ATOM 548 CD1 LEU A 32 3.092 4.175 0.253 1.00 0.00 C ATOM 549 CD2 LEU A 32 3.644 3.845 -2.171 1.00 0.00 C ATOM 0 H LEU A 32 5.546 0.557 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 32 6.066 3.121 -2.218 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.273 2.459 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 32 5.654 4.055 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 32 3.313 2.273 -0.798 1.00 0.00 H new ATOM 0 HD11 LEU A 32 2.051 4.321 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.133 3.721 1.243 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.601 5.138 0.275 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.589 3.941 -2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.116 4.827 -2.203 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.132 3.185 -2.888 1.00 0.00 H new ATOM 561 N THR A 33 8.052 2.502 0.227 1.00 0.00 N ATOM 562 CA THR A 33 9.429 2.505 0.708 1.00 0.00 C ATOM 563 C THR A 33 10.180 3.756 0.241 1.00 0.00 C ATOM 564 O THR A 33 10.457 4.659 1.027 1.00 0.00 O ATOM 565 CB THR A 33 10.116 1.136 0.531 1.00 0.00 C ATOM 566 OG1 THR A 33 10.212 0.559 1.822 1.00 0.00 O ATOM 567 CG2 THR A 33 11.537 1.197 -0.021 1.00 0.00 C ATOM 0 H THR A 33 7.377 2.587 0.987 1.00 0.00 H new ATOM 0 HA THR A 33 9.441 2.611 1.793 1.00 0.00 H new ATOM 0 HB THR A 33 9.518 0.574 -0.186 1.00 0.00 H new ATOM 0 HG1 THR A 33 11.154 0.398 2.039 1.00 0.00 H new ATOM 0 HG21 THR A 33 11.936 0.187 -0.110 1.00 0.00 H new ATOM 0 HG22 THR A 33 11.526 1.671 -1.003 1.00 0.00 H new ATOM 0 HG23 THR A 33 12.165 1.777 0.655 1.00 0.00 H new ATOM 575 N LYS A 34 10.422 3.874 -1.058 1.00 0.00 N ATOM 576 CA LYS A 34 11.091 5.016 -1.662 1.00 0.00 C ATOM 577 C LYS A 34 10.189 6.251 -1.724 1.00 0.00 C ATOM 578 O LYS A 34 10.606 7.279 -2.250 1.00 0.00 O ATOM 579 CB LYS A 34 11.580 4.631 -3.060 1.00 0.00 C ATOM 580 CG LYS A 34 12.529 3.427 -2.994 1.00 0.00 C ATOM 581 CD LYS A 34 13.718 3.539 -3.959 1.00 0.00 C ATOM 582 CE LYS A 34 14.700 4.658 -3.555 1.00 0.00 C ATOM 583 NZ LYS A 34 14.579 5.872 -4.392 1.00 0.00 N ATOM 0 H LYS A 34 10.152 3.161 -1.736 1.00 0.00 H new ATOM 0 HA LYS A 34 11.941 5.284 -1.034 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.727 4.393 -3.696 1.00 0.00 H new ATOM 0 HB3 LYS A 34 12.091 5.478 -3.517 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.904 3.324 -1.976 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.970 2.519 -3.221 1.00 0.00 H new ATOM 0 HD2 LYS A 34 14.249 2.587 -3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 34 13.348 3.730 -4.966 1.00 0.00 H new ATOM 0 HE2 LYS A 34 14.527 4.925 -2.512 1.00 0.00 H new ATOM 0 HE3 LYS A 34 15.720 4.279 -3.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 15.515 6.310 -4.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 14.201 5.614 -5.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 13.935 6.547 -3.933 1.00 0.00 H new ATOM 597 N PHE A 35 8.967 6.143 -1.197 1.00 0.00 N ATOM 598 CA PHE A 35 7.987 7.209 -1.136 1.00 0.00 C ATOM 599 C PHE A 35 7.705 7.583 0.321 1.00 0.00 C ATOM 600 O PHE A 35 6.962 8.521 0.577 1.00 0.00 O ATOM 601 CB PHE A 35 6.734 6.733 -1.876 1.00 0.00 C ATOM 602 CG PHE A 35 5.533 7.658 -1.826 1.00 0.00 C ATOM 603 CD1 PHE A 35 5.605 8.966 -2.337 1.00 0.00 C ATOM 604 CD2 PHE A 35 4.355 7.224 -1.199 1.00 0.00 C ATOM 605 CE1 PHE A 35 4.489 9.817 -2.253 1.00 0.00 C ATOM 606 CE2 PHE A 35 3.233 8.059 -1.132 1.00 0.00 C ATOM 607 CZ PHE A 35 3.302 9.360 -1.649 1.00 0.00 C ATOM 0 H PHE A 35 8.628 5.273 -0.787 1.00 0.00 H new ATOM 0 HA PHE A 35 8.356 8.115 -1.618 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.996 6.568 -2.921 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.440 5.767 -1.465 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.518 9.317 -2.794 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.313 6.236 -0.764 1.00 0.00 H new ATOM 0 HE1 PHE A 35 4.542 10.820 -2.651 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.318 7.702 -0.684 1.00 0.00 H new ATOM 0 HZ PHE A 35 2.444 10.013 -1.584 1.00 0.00 H new ATOM 617 N LEU A 36 8.304 6.874 1.286 1.00 0.00 N ATOM 618 CA LEU A 36 8.059 7.117 2.701 1.00 0.00 C ATOM 619 C LEU A 36 8.241 8.604 3.044 1.00 0.00 C ATOM 620 O LEU A 36 7.351 9.223 3.617 1.00 0.00 O ATOM 621 CB LEU A 36 8.986 6.229 3.546 1.00 0.00 C ATOM 622 CG LEU A 36 8.602 4.741 3.686 1.00 0.00 C ATOM 623 CD1 LEU A 36 9.580 4.025 4.624 1.00 0.00 C ATOM 624 CD2 LEU A 36 7.158 4.523 4.149 1.00 0.00 C ATOM 0 H LEU A 36 8.967 6.121 1.103 1.00 0.00 H new ATOM 0 HA LEU A 36 7.026 6.858 2.932 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.987 6.281 3.117 1.00 0.00 H new ATOM 0 HB3 LEU A 36 9.045 6.658 4.546 1.00 0.00 H new ATOM 0 HG LEU A 36 8.669 4.311 2.687 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.297 2.976 4.713 1.00 0.00 H new ATOM 0 HD12 LEU A 36 10.590 4.095 4.219 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.550 4.494 5.608 1.00 0.00 H new ATOM 0 HD21 LEU A 36 6.958 3.454 4.225 1.00 0.00 H new ATOM 0 HD22 LEU A 36 7.014 4.990 5.123 1.00 0.00 H new ATOM 0 HD23 LEU A 36 6.473 4.970 3.428 1.00 0.00 H new ATOM 636 N GLU A 37 9.387 9.183 2.676 1.00 0.00 N ATOM 637 CA GLU A 37 9.684 10.579 2.978 1.00 0.00 C ATOM 638 C GLU A 37 8.897 11.520 2.052 1.00 0.00 C ATOM 639 O GLU A 37 8.342 12.519 2.502 1.00 0.00 O ATOM 640 CB GLU A 37 11.205 10.794 2.908 1.00 0.00 C ATOM 641 CG GLU A 37 11.676 11.882 3.880 1.00 0.00 C ATOM 642 CD GLU A 37 13.197 11.934 3.933 1.00 0.00 C ATOM 643 OE1 GLU A 37 13.767 11.021 4.567 1.00 0.00 O ATOM 644 OE2 GLU A 37 13.760 12.865 3.321 1.00 0.00 O ATOM 0 H GLU A 37 10.126 8.700 2.165 1.00 0.00 H new ATOM 0 HA GLU A 37 9.360 10.822 3.990 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.714 9.858 3.137 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.486 11.070 1.891 1.00 0.00 H new ATOM 0 HG2 GLU A 37 11.285 12.850 3.567 1.00 0.00 H new ATOM 0 HG3 GLU A 37 11.279 11.684 4.876 1.00 0.00 H new ATOM 651 N GLU A 38 8.836 11.186 0.757 1.00 0.00 N ATOM 652 CA GLU A 38 8.108 11.956 -0.251 1.00 0.00 C ATOM 653 C GLU A 38 6.620 12.106 0.090 1.00 0.00 C ATOM 654 O GLU A 38 6.022 13.121 -0.259 1.00 0.00 O ATOM 655 CB GLU A 38 8.271 11.286 -1.622 1.00 0.00 C ATOM 656 CG GLU A 38 9.524 11.741 -2.385 1.00 0.00 C ATOM 657 CD GLU A 38 9.177 12.835 -3.388 1.00 0.00 C ATOM 658 OE1 GLU A 38 8.720 12.458 -4.489 1.00 0.00 O ATOM 659 OE2 GLU A 38 9.354 14.019 -3.031 1.00 0.00 O ATOM 0 H GLU A 38 9.299 10.360 0.378 1.00 0.00 H new ATOM 0 HA GLU A 38 8.533 12.960 -0.272 1.00 0.00 H new ATOM 0 HB2 GLU A 38 8.311 10.205 -1.486 1.00 0.00 H new ATOM 0 HB3 GLU A 38 7.390 11.499 -2.228 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.270 12.109 -1.681 1.00 0.00 H new ATOM 0 HG3 GLU A 38 9.968 10.892 -2.905 1.00 0.00 H new ATOM 666 N HIS A 39 6.003 11.093 0.712 1.00 0.00 N ATOM 667 CA HIS A 39 4.587 11.089 1.063 1.00 0.00 C ATOM 668 C HIS A 39 4.207 12.402 1.750 1.00 0.00 C ATOM 669 O HIS A 39 4.657 12.629 2.876 1.00 0.00 O ATOM 670 CB HIS A 39 4.262 9.864 1.933 1.00 0.00 C ATOM 671 CG HIS A 39 2.844 9.779 2.464 1.00 0.00 C ATOM 672 ND1 HIS A 39 2.508 9.711 3.793 1.00 0.00 N ATOM 673 CD2 HIS A 39 1.683 9.622 1.750 1.00 0.00 C ATOM 674 CE1 HIS A 39 1.178 9.540 3.876 1.00 0.00 C ATOM 675 NE2 HIS A 39 0.622 9.467 2.656 1.00 0.00 N ATOM 0 H HIS A 39 6.488 10.239 0.988 1.00 0.00 H new ATOM 0 HA HIS A 39 3.988 11.014 0.155 1.00 0.00 H new ATOM 0 HB2 HIS A 39 4.464 8.966 1.350 1.00 0.00 H new ATOM 0 HB3 HIS A 39 4.947 9.854 2.781 1.00 0.00 H new ATOM 0 HD1 HIS A 39 3.154 9.778 4.579 1.00 0.00 H new ATOM 0 HD2 HIS A 39 1.600 9.618 0.673 1.00 0.00 H new ATOM 0 HE1 HIS A 39 0.628 9.470 4.803 1.00 0.00 H new ATOM 683 N PRO A 40 3.395 13.265 1.105 1.00 0.00 N ATOM 684 CA PRO A 40 3.002 14.548 1.661 1.00 0.00 C ATOM 685 C PRO A 40 2.048 14.288 2.826 1.00 0.00 C ATOM 686 O PRO A 40 0.828 14.345 2.684 1.00 0.00 O ATOM 687 CB PRO A 40 2.381 15.342 0.505 1.00 0.00 C ATOM 688 CG PRO A 40 1.916 14.278 -0.482 1.00 0.00 C ATOM 689 CD PRO A 40 2.799 13.063 -0.207 1.00 0.00 C ATOM 0 HA PRO A 40 3.828 15.131 2.068 1.00 0.00 H new ATOM 0 HB2 PRO A 40 1.548 15.957 0.848 1.00 0.00 H new ATOM 0 HB3 PRO A 40 3.108 16.015 0.050 1.00 0.00 H new ATOM 0 HG2 PRO A 40 0.862 14.040 -0.337 1.00 0.00 H new ATOM 0 HG3 PRO A 40 2.027 14.620 -1.511 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.211 12.145 -0.227 1.00 0.00 H new ATOM 0 HD3 PRO A 40 3.570 12.965 -0.971 1.00 0.00 H new ATOM 697 N GLY A 41 2.638 13.935 3.968 1.00 0.00 N ATOM 698 CA GLY A 41 1.950 13.393 5.122 1.00 0.00 C ATOM 699 C GLY A 41 2.934 12.683 6.057 1.00 0.00 C ATOM 700 O GLY A 41 2.796 12.807 7.272 1.00 0.00 O ATOM 0 H GLY A 41 3.644 14.025 4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.444 14.195 5.660 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.180 12.693 4.797 1.00 0.00 H new ATOM 704 N GLY A 42 3.935 11.958 5.525 1.00 0.00 N ATOM 705 CA GLY A 42 4.988 11.376 6.360 1.00 0.00 C ATOM 706 C GLY A 42 5.423 9.958 6.033 1.00 0.00 C ATOM 707 O GLY A 42 4.701 9.220 5.364 1.00 0.00 O ATOM 0 H GLY A 42 4.032 11.765 4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 42 5.864 12.022 6.299 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.649 11.396 7.396 1.00 0.00 H new ATOM 711 N GLU A 43 6.541 9.554 6.648 1.00 0.00 N ATOM 712 CA GLU A 43 6.952 8.163 6.714 1.00 0.00 C ATOM 713 C GLU A 43 6.071 7.454 7.732 1.00 0.00 C ATOM 714 O GLU A 43 5.375 6.510 7.379 1.00 0.00 O ATOM 715 CB GLU A 43 8.452 8.051 7.043 1.00 0.00 C ATOM 716 CG GLU A 43 8.945 6.593 7.175 1.00 0.00 C ATOM 717 CD GLU A 43 8.940 5.988 8.579 1.00 0.00 C ATOM 718 OE1 GLU A 43 8.844 6.772 9.542 1.00 0.00 O ATOM 719 OE2 GLU A 43 9.058 4.739 8.660 1.00 0.00 O ATOM 0 H GLU A 43 7.184 10.194 7.114 1.00 0.00 H new ATOM 0 HA GLU A 43 6.822 7.678 5.746 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.026 8.551 6.263 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.652 8.580 7.975 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.327 5.966 6.533 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.962 6.542 6.787 1.00 0.00 H new ATOM 726 N GLU A 44 6.082 7.915 8.983 1.00 0.00 N ATOM 727 CA GLU A 44 5.574 7.144 10.107 1.00 0.00 C ATOM 728 C GLU A 44 4.138 6.684 9.857 1.00 0.00 C ATOM 729 O GLU A 44 3.861 5.490 9.870 1.00 0.00 O ATOM 730 CB GLU A 44 5.725 7.938 11.409 1.00 0.00 C ATOM 731 CG GLU A 44 5.783 6.988 12.615 1.00 0.00 C ATOM 732 CD GLU A 44 5.889 7.724 13.947 1.00 0.00 C ATOM 733 OE1 GLU A 44 5.896 8.974 13.916 1.00 0.00 O ATOM 734 OE2 GLU A 44 5.968 7.020 14.976 1.00 0.00 O ATOM 0 H GLU A 44 6.444 8.833 9.241 1.00 0.00 H new ATOM 0 HA GLU A 44 6.170 6.238 10.212 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.632 8.542 11.370 1.00 0.00 H new ATOM 0 HB3 GLU A 44 4.888 8.627 11.521 1.00 0.00 H new ATOM 0 HG2 GLU A 44 4.890 6.363 12.621 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.638 6.321 12.505 1.00 0.00 H new ATOM 741 N VAL A 45 3.233 7.617 9.546 1.00 0.00 N ATOM 742 CA VAL A 45 1.849 7.295 9.235 1.00 0.00 C ATOM 743 C VAL A 45 1.740 6.210 8.161 1.00 0.00 C ATOM 744 O VAL A 45 0.863 5.363 8.228 1.00 0.00 O ATOM 745 CB VAL A 45 1.077 8.566 8.843 1.00 0.00 C ATOM 746 CG1 VAL A 45 1.009 9.555 10.011 1.00 0.00 C ATOM 747 CG2 VAL A 45 1.633 9.269 7.597 1.00 0.00 C ATOM 0 H VAL A 45 3.445 8.614 9.505 1.00 0.00 H new ATOM 0 HA VAL A 45 1.391 6.884 10.135 1.00 0.00 H new ATOM 0 HB VAL A 45 0.072 8.226 8.591 1.00 0.00 H new ATOM 0 HG11 VAL A 45 0.457 10.443 9.704 1.00 0.00 H new ATOM 0 HG12 VAL A 45 0.502 9.087 10.855 1.00 0.00 H new ATOM 0 HG13 VAL A 45 2.019 9.839 10.306 1.00 0.00 H new ATOM 0 HG21 VAL A 45 1.037 10.156 7.383 1.00 0.00 H new ATOM 0 HG22 VAL A 45 2.668 9.561 7.776 1.00 0.00 H new ATOM 0 HG23 VAL A 45 1.590 8.589 6.746 1.00 0.00 H new ATOM 757 N LEU A 46 2.631 6.210 7.172 1.00 0.00 N ATOM 758 CA LEU A 46 2.624 5.236 6.096 1.00 0.00 C ATOM 759 C LEU A 46 3.143 3.898 6.617 1.00 0.00 C ATOM 760 O LEU A 46 2.548 2.843 6.400 1.00 0.00 O ATOM 761 CB LEU A 46 3.499 5.821 4.971 1.00 0.00 C ATOM 762 CG LEU A 46 3.319 5.203 3.586 1.00 0.00 C ATOM 763 CD1 LEU A 46 3.739 3.725 3.571 1.00 0.00 C ATOM 764 CD2 LEU A 46 1.877 5.436 3.117 1.00 0.00 C ATOM 0 H LEU A 46 3.383 6.895 7.099 1.00 0.00 H new ATOM 0 HA LEU A 46 1.623 5.045 5.710 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.295 6.889 4.899 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.545 5.715 5.260 1.00 0.00 H new ATOM 0 HG LEU A 46 3.981 5.692 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.598 3.317 2.570 1.00 0.00 H new ATOM 0 HD12 LEU A 46 4.789 3.642 3.852 1.00 0.00 H new ATOM 0 HD13 LEU A 46 3.128 3.166 4.280 1.00 0.00 H new ATOM 0 HD21 LEU A 46 1.741 4.997 2.128 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.186 4.970 3.819 1.00 0.00 H new ATOM 0 HD23 LEU A 46 1.678 6.507 3.069 1.00 0.00 H new ATOM 776 N ARG A 47 4.277 3.958 7.308 1.00 0.00 N ATOM 777 CA ARG A 47 5.031 2.815 7.779 1.00 0.00 C ATOM 778 C ARG A 47 4.429 2.211 9.056 1.00 0.00 C ATOM 779 O ARG A 47 4.868 1.155 9.502 1.00 0.00 O ATOM 780 CB ARG A 47 6.489 3.272 7.934 1.00 0.00 C ATOM 781 CG ARG A 47 7.490 2.275 7.354 1.00 0.00 C ATOM 782 CD ARG A 47 7.661 1.069 8.278 1.00 0.00 C ATOM 783 NE ARG A 47 9.024 0.539 8.206 1.00 0.00 N ATOM 784 CZ ARG A 47 10.105 1.145 8.729 1.00 0.00 C ATOM 785 NH1 ARG A 47 10.057 2.389 9.226 1.00 0.00 N ATOM 786 NH2 ARG A 47 11.265 0.479 8.747 1.00 0.00 N ATOM 0 H ARG A 47 4.709 4.846 7.563 1.00 0.00 H new ATOM 0 HA ARG A 47 4.988 1.996 7.062 1.00 0.00 H new ATOM 0 HB2 ARG A 47 6.617 4.236 7.441 1.00 0.00 H new ATOM 0 HB3 ARG A 47 6.706 3.424 8.991 1.00 0.00 H new ATOM 0 HG2 ARG A 47 7.150 1.941 6.374 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.453 2.765 7.207 1.00 0.00 H new ATOM 0 HD2 ARG A 47 7.434 1.358 9.304 1.00 0.00 H new ATOM 0 HD3 ARG A 47 6.950 0.291 8.001 1.00 0.00 H new ATOM 0 HE ARG A 47 9.163 -0.350 7.727 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.179 2.909 9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.898 2.816 9.615 1.00 0.00 H new ATOM 0 HH21 ARG A 47 11.316 -0.467 8.369 1.00 0.00 H new ATOM 0 HH22 ARG A 47 12.099 0.917 9.138 1.00 0.00 H new ATOM 800 N GLU A 48 3.409 2.866 9.615 1.00 0.00 N ATOM 801 CA GLU A 48 2.701 2.491 10.828 1.00 0.00 C ATOM 802 C GLU A 48 2.237 1.042 10.775 1.00 0.00 C ATOM 803 O GLU A 48 2.445 0.283 11.719 1.00 0.00 O ATOM 804 CB GLU A 48 1.516 3.457 11.035 1.00 0.00 C ATOM 805 CG GLU A 48 1.654 4.331 12.287 1.00 0.00 C ATOM 806 CD GLU A 48 1.159 3.604 13.530 1.00 0.00 C ATOM 807 OE1 GLU A 48 -0.079 3.473 13.642 1.00 0.00 O ATOM 808 OE2 GLU A 48 2.017 3.187 14.334 1.00 0.00 O ATOM 0 H GLU A 48 3.038 3.722 9.204 1.00 0.00 H new ATOM 0 HA GLU A 48 3.379 2.569 11.678 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.424 4.101 10.160 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.594 2.880 11.104 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.698 4.615 12.421 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.088 5.253 12.153 1.00 0.00 H new ATOM 815 N GLN A 49 1.600 0.661 9.665 1.00 0.00 N ATOM 816 CA GLN A 49 1.118 -0.698 9.490 1.00 0.00 C ATOM 817 C GLN A 49 2.107 -1.447 8.612 1.00 0.00 C ATOM 818 O GLN A 49 2.777 -2.373 9.066 1.00 0.00 O ATOM 819 CB GLN A 49 -0.293 -0.670 8.885 1.00 0.00 C ATOM 820 CG GLN A 49 -1.357 -0.293 9.930 1.00 0.00 C ATOM 821 CD GLN A 49 -1.597 -1.386 10.974 1.00 0.00 C ATOM 822 OE1 GLN A 49 -1.104 -2.503 10.859 1.00 0.00 O ATOM 823 NE2 GLN A 49 -2.378 -1.079 12.005 1.00 0.00 N ATOM 0 H GLN A 49 1.409 1.280 8.877 1.00 0.00 H new ATOM 0 HA GLN A 49 1.047 -1.216 10.446 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.322 0.045 8.063 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -0.527 -1.648 8.465 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -1.050 0.622 10.437 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.295 -0.075 9.420 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -2.778 -0.144 12.081 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -2.577 -1.779 12.720 1.00 0.00 H new ATOM 832 N ALA A 50 2.182 -1.024 7.347 1.00 0.00 N ATOM 833 CA ALA A 50 2.870 -1.737 6.278 1.00 0.00 C ATOM 834 C ALA A 50 2.327 -3.166 6.092 1.00 0.00 C ATOM 835 O ALA A 50 1.545 -3.655 6.902 1.00 0.00 O ATOM 836 CB ALA A 50 4.380 -1.702 6.536 1.00 0.00 C ATOM 0 H ALA A 50 1.753 -0.153 7.035 1.00 0.00 H new ATOM 0 HA ALA A 50 2.675 -1.233 5.331 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.898 -2.234 5.738 1.00 0.00 H new ATOM 0 HB2 ALA A 50 4.721 -0.667 6.562 1.00 0.00 H new ATOM 0 HB3 ALA A 50 4.597 -2.180 7.491 1.00 0.00 H new ATOM 842 N GLY A 51 2.720 -3.821 4.993 1.00 0.00 N ATOM 843 CA GLY A 51 2.417 -5.209 4.653 1.00 0.00 C ATOM 844 C GLY A 51 1.055 -5.688 5.150 1.00 0.00 C ATOM 845 O GLY A 51 0.980 -6.562 6.012 1.00 0.00 O ATOM 0 H GLY A 51 3.290 -3.367 4.279 1.00 0.00 H new ATOM 0 HA2 GLY A 51 2.458 -5.324 3.570 1.00 0.00 H new ATOM 0 HA3 GLY A 51 3.191 -5.852 5.071 1.00 0.00 H new ATOM 849 N GLY A 52 -0.029 -5.128 4.611 1.00 0.00 N ATOM 850 CA GLY A 52 -1.371 -5.462 5.026 1.00 0.00 C ATOM 851 C GLY A 52 -2.340 -4.486 4.372 1.00 0.00 C ATOM 852 O GLY A 52 -1.935 -3.616 3.588 1.00 0.00 O ATOM 0 H GLY A 52 0.011 -4.427 3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -1.612 -6.485 4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -1.455 -5.409 6.111 1.00 0.00 H new ATOM 856 N ASP A 53 -3.617 -4.650 4.707 1.00 0.00 N ATOM 857 CA ASP A 53 -4.737 -3.836 4.277 1.00 0.00 C ATOM 858 C ASP A 53 -4.696 -2.478 4.963 1.00 0.00 C ATOM 859 O ASP A 53 -5.482 -2.167 5.854 1.00 0.00 O ATOM 860 CB ASP A 53 -6.062 -4.585 4.488 1.00 0.00 C ATOM 861 CG ASP A 53 -6.260 -5.096 5.912 1.00 0.00 C ATOM 862 OD1 ASP A 53 -5.301 -5.723 6.419 1.00 0.00 O ATOM 863 OD2 ASP A 53 -7.376 -4.898 6.438 1.00 0.00 O ATOM 0 H ASP A 53 -3.910 -5.406 5.326 1.00 0.00 H new ATOM 0 HA ASP A 53 -4.661 -3.646 3.206 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.888 -3.922 4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.105 -5.429 3.800 1.00 0.00 H new ATOM 868 N ALA A 54 -3.807 -1.616 4.468 1.00 0.00 N ATOM 869 CA ALA A 54 -3.725 -0.252 4.949 1.00 0.00 C ATOM 870 C ALA A 54 -4.952 0.572 4.535 1.00 0.00 C ATOM 871 O ALA A 54 -5.079 1.719 4.966 1.00 0.00 O ATOM 872 CB ALA A 54 -2.407 0.374 4.492 1.00 0.00 C ATOM 0 H ALA A 54 -3.137 -1.846 3.734 1.00 0.00 H new ATOM 0 HA ALA A 54 -3.732 -0.258 6.039 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -2.347 1.400 4.855 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.573 -0.202 4.892 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -2.361 0.371 3.403 1.00 0.00 H new ATOM 878 N THR A 55 -5.861 0.007 3.723 1.00 0.00 N ATOM 879 CA THR A 55 -7.119 0.644 3.365 1.00 0.00 C ATOM 880 C THR A 55 -7.810 1.253 4.577 1.00 0.00 C ATOM 881 O THR A 55 -8.239 2.394 4.479 1.00 0.00 O ATOM 882 CB THR A 55 -8.066 -0.316 2.624 1.00 0.00 C ATOM 883 OG1 THR A 55 -7.531 -0.591 1.351 1.00 0.00 O ATOM 884 CG2 THR A 55 -9.435 0.331 2.381 1.00 0.00 C ATOM 0 H THR A 55 -5.733 -0.912 3.299 1.00 0.00 H new ATOM 0 HA THR A 55 -6.869 1.453 2.679 1.00 0.00 H new ATOM 0 HB THR A 55 -8.174 -1.212 3.236 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.828 -1.270 1.431 1.00 0.00 H new ATOM 0 HG21 THR A 55 -10.082 -0.372 1.856 1.00 0.00 H new ATOM 0 HG22 THR A 55 -9.887 0.595 3.337 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.311 1.230 1.777 1.00 0.00 H new ATOM 892 N GLU A 56 -7.918 0.519 5.692 1.00 0.00 N ATOM 893 CA GLU A 56 -8.596 1.004 6.892 1.00 0.00 C ATOM 894 C GLU A 56 -8.127 2.433 7.213 1.00 0.00 C ATOM 895 O GLU A 56 -8.905 3.385 7.227 1.00 0.00 O ATOM 896 CB GLU A 56 -8.313 0.035 8.053 1.00 0.00 C ATOM 897 CG GLU A 56 -9.259 0.269 9.241 1.00 0.00 C ATOM 898 CD GLU A 56 -8.577 -0.033 10.569 1.00 0.00 C ATOM 899 OE1 GLU A 56 -7.600 0.688 10.868 1.00 0.00 O ATOM 900 OE2 GLU A 56 -9.036 -0.973 11.252 1.00 0.00 O ATOM 0 H GLU A 56 -7.538 -0.423 5.784 1.00 0.00 H new ATOM 0 HA GLU A 56 -9.673 1.041 6.731 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -8.418 -0.992 7.702 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -7.281 0.155 8.382 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -9.603 1.303 9.235 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -10.142 -0.361 9.133 1.00 0.00 H new ATOM 907 N ASN A 57 -6.816 2.575 7.392 1.00 0.00 N ATOM 908 CA ASN A 57 -6.168 3.819 7.778 1.00 0.00 C ATOM 909 C ASN A 57 -6.232 4.847 6.645 1.00 0.00 C ATOM 910 O ASN A 57 -6.449 6.036 6.870 1.00 0.00 O ATOM 911 CB ASN A 57 -4.708 3.510 8.137 1.00 0.00 C ATOM 912 CG ASN A 57 -4.261 4.185 9.427 1.00 0.00 C ATOM 913 OD1 ASN A 57 -3.765 3.520 10.329 1.00 0.00 O ATOM 914 ND2 ASN A 57 -4.402 5.503 9.532 1.00 0.00 N ATOM 0 H ASN A 57 -6.160 1.804 7.268 1.00 0.00 H new ATOM 0 HA ASN A 57 -6.685 4.248 8.637 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.583 2.432 8.235 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -4.062 3.833 7.321 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -4.094 5.983 10.378 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -4.818 6.034 8.767 1.00 0.00 H new ATOM 921 N PHE A 58 -5.999 4.390 5.412 1.00 0.00 N ATOM 922 CA PHE A 58 -6.041 5.237 4.227 1.00 0.00 C ATOM 923 C PHE A 58 -7.430 5.871 4.044 1.00 0.00 C ATOM 924 O PHE A 58 -7.503 7.049 3.687 1.00 0.00 O ATOM 925 CB PHE A 58 -5.544 4.441 3.007 1.00 0.00 C ATOM 926 CG PHE A 58 -6.045 4.915 1.656 1.00 0.00 C ATOM 927 CD1 PHE A 58 -7.308 4.488 1.215 1.00 0.00 C ATOM 928 CD2 PHE A 58 -5.279 5.774 0.847 1.00 0.00 C ATOM 929 CE1 PHE A 58 -7.864 5.021 0.043 1.00 0.00 C ATOM 930 CE2 PHE A 58 -5.800 6.240 -0.374 1.00 0.00 C ATOM 931 CZ PHE A 58 -7.109 5.895 -0.756 1.00 0.00 C ATOM 0 H PHE A 58 -5.775 3.415 5.211 1.00 0.00 H new ATOM 0 HA PHE A 58 -5.362 6.081 4.348 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.454 4.469 2.999 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -5.835 3.398 3.135 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -7.853 3.747 1.780 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -4.291 6.076 1.163 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -8.872 4.760 -0.245 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -5.195 6.862 -1.017 1.00 0.00 H new ATOM 0 HZ PHE A 58 -7.533 6.302 -1.662 1.00 0.00 H new ATOM 941 N GLU A 59 -8.507 5.114 4.300 1.00 0.00 N ATOM 942 CA GLU A 59 -9.896 5.555 4.191 1.00 0.00 C ATOM 943 C GLU A 59 -10.340 6.327 5.429 1.00 0.00 C ATOM 944 O GLU A 59 -11.168 7.225 5.308 1.00 0.00 O ATOM 945 CB GLU A 59 -10.859 4.380 3.955 1.00 0.00 C ATOM 946 CG GLU A 59 -11.012 4.038 2.469 1.00 0.00 C ATOM 947 CD GLU A 59 -11.716 5.138 1.679 1.00 0.00 C ATOM 948 OE1 GLU A 59 -12.920 5.341 1.934 1.00 0.00 O ATOM 949 OE2 GLU A 59 -11.051 5.752 0.813 1.00 0.00 O ATOM 0 H GLU A 59 -8.426 4.142 4.599 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.935 6.216 3.325 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -10.496 3.503 4.491 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -11.836 4.626 4.371 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.027 3.861 2.038 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.574 3.109 2.370 1.00 0.00 H new ATOM 956 N ASP A 60 -9.791 6.008 6.607 1.00 0.00 N ATOM 957 CA ASP A 60 -9.999 6.833 7.793 1.00 0.00 C ATOM 958 C ASP A 60 -9.714 8.303 7.453 1.00 0.00 C ATOM 959 O ASP A 60 -10.473 9.199 7.812 1.00 0.00 O ATOM 960 CB ASP A 60 -9.123 6.332 8.944 1.00 0.00 C ATOM 961 CG ASP A 60 -9.385 7.141 10.206 1.00 0.00 C ATOM 962 OD1 ASP A 60 -10.462 6.932 10.805 1.00 0.00 O ATOM 963 OD2 ASP A 60 -8.500 7.958 10.543 1.00 0.00 O ATOM 0 H ASP A 60 -9.203 5.188 6.760 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.037 6.758 8.118 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -9.327 5.278 9.132 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.071 6.408 8.668 1.00 0.00 H new ATOM 968 N VAL A 61 -8.647 8.533 6.678 1.00 0.00 N ATOM 969 CA VAL A 61 -8.337 9.838 6.103 1.00 0.00 C ATOM 970 C VAL A 61 -9.101 10.082 4.787 1.00 0.00 C ATOM 971 O VAL A 61 -9.448 11.220 4.477 1.00 0.00 O ATOM 972 CB VAL A 61 -6.814 9.970 5.952 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.422 11.291 5.275 1.00 0.00 C ATOM 974 CG2 VAL A 61 -6.146 9.918 7.333 1.00 0.00 C ATOM 0 H VAL A 61 -7.972 7.809 6.433 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.679 10.623 6.777 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.477 9.141 5.329 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.337 11.347 5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.870 11.338 4.282 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.780 12.128 5.875 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -5.066 10.012 7.219 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -6.518 10.737 7.948 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -6.378 8.968 7.814 1.00 0.00 H new ATOM 984 N GLY A 62 -9.331 9.052 3.971 1.00 0.00 N ATOM 985 CA GLY A 62 -10.155 9.134 2.767 1.00 0.00 C ATOM 986 C GLY A 62 -9.293 9.365 1.529 1.00 0.00 C ATOM 987 O GLY A 62 -9.445 8.667 0.527 1.00 0.00 O ATOM 0 H GLY A 62 -8.943 8.123 4.132 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -10.727 8.213 2.650 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -10.875 9.946 2.870 1.00 0.00 H new ATOM 991 N HIS A 63 -8.393 10.353 1.620 1.00 0.00 N ATOM 992 CA HIS A 63 -7.447 10.771 0.586 1.00 0.00 C ATOM 993 C HIS A 63 -8.126 11.349 -0.669 1.00 0.00 C ATOM 994 O HIS A 63 -9.080 10.787 -1.209 1.00 0.00 O ATOM 995 CB HIS A 63 -6.492 9.636 0.192 1.00 0.00 C ATOM 996 CG HIS A 63 -5.376 9.341 1.164 1.00 0.00 C ATOM 997 ND1 HIS A 63 -5.446 8.524 2.269 1.00 0.00 N ATOM 998 CD2 HIS A 63 -4.061 9.682 0.984 1.00 0.00 C ATOM 999 CE1 HIS A 63 -4.191 8.390 2.738 1.00 0.00 C ATOM 1000 NE2 HIS A 63 -3.299 9.066 1.981 1.00 0.00 N ATOM 0 H HIS A 63 -8.303 10.912 2.468 1.00 0.00 H new ATOM 0 HA HIS A 63 -6.869 11.577 1.039 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -7.077 8.727 0.055 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -6.050 9.879 -0.774 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -6.288 8.101 2.659 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.677 10.320 0.202 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.929 7.813 3.612 1.00 0.00 H new ATOM 1008 N SER A 64 -7.594 12.466 -1.171 1.00 0.00 N ATOM 1009 CA SER A 64 -8.065 13.118 -2.380 1.00 0.00 C ATOM 1010 C SER A 64 -7.859 12.231 -3.611 1.00 0.00 C ATOM 1011 O SER A 64 -7.098 11.263 -3.590 1.00 0.00 O ATOM 1012 CB SER A 64 -7.314 14.447 -2.532 1.00 0.00 C ATOM 1013 OG SER A 64 -7.259 15.089 -1.270 1.00 0.00 O ATOM 0 H SER A 64 -6.808 12.947 -0.734 1.00 0.00 H new ATOM 0 HA SER A 64 -9.137 13.301 -2.300 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.307 14.270 -2.909 1.00 0.00 H new ATOM 0 HB3 SER A 64 -7.819 15.085 -3.258 1.00 0.00 H new ATOM 0 HG SER A 64 -6.779 15.939 -1.356 1.00 0.00 H new ATOM 1019 N THR A 65 -8.523 12.581 -4.711 1.00 0.00 N ATOM 1020 CA THR A 65 -8.423 11.858 -5.968 1.00 0.00 C ATOM 1021 C THR A 65 -6.973 11.749 -6.447 1.00 0.00 C ATOM 1022 O THR A 65 -6.527 10.665 -6.823 1.00 0.00 O ATOM 1023 CB THR A 65 -9.342 12.536 -6.990 1.00 0.00 C ATOM 1024 OG1 THR A 65 -10.627 12.651 -6.409 1.00 0.00 O ATOM 1025 CG2 THR A 65 -9.433 11.735 -8.290 1.00 0.00 C ATOM 0 H THR A 65 -9.151 13.384 -4.750 1.00 0.00 H new ATOM 0 HA THR A 65 -8.753 10.828 -5.832 1.00 0.00 H new ATOM 0 HB THR A 65 -8.935 13.515 -7.242 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.235 13.084 -7.043 1.00 0.00 H new ATOM 0 HG21 THR A 65 -10.094 12.249 -8.988 1.00 0.00 H new ATOM 0 HG22 THR A 65 -8.440 11.643 -8.731 1.00 0.00 H new ATOM 0 HG23 THR A 65 -9.830 10.742 -8.079 1.00 0.00 H new ATOM 1033 N ASP A 66 -6.226 12.852 -6.391 1.00 0.00 N ATOM 1034 CA ASP A 66 -4.821 12.918 -6.767 1.00 0.00 C ATOM 1035 C ASP A 66 -4.038 11.769 -6.147 1.00 0.00 C ATOM 1036 O ASP A 66 -3.302 11.062 -6.830 1.00 0.00 O ATOM 1037 CB ASP A 66 -4.240 14.256 -6.295 1.00 0.00 C ATOM 1038 CG ASP A 66 -5.012 15.427 -6.876 1.00 0.00 C ATOM 1039 OD1 ASP A 66 -6.202 15.528 -6.492 1.00 0.00 O ATOM 1040 OD2 ASP A 66 -4.416 16.168 -7.684 1.00 0.00 O ATOM 0 H ASP A 66 -6.596 13.748 -6.073 1.00 0.00 H new ATOM 0 HA ASP A 66 -4.741 12.837 -7.851 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.268 14.303 -5.206 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.193 14.325 -6.591 1.00 0.00 H new ATOM 1045 N ALA A 67 -4.224 11.567 -4.841 1.00 0.00 N ATOM 1046 CA ALA A 67 -3.595 10.475 -4.122 1.00 0.00 C ATOM 1047 C ALA A 67 -3.922 9.138 -4.776 1.00 0.00 C ATOM 1048 O ALA A 67 -3.012 8.351 -5.002 1.00 0.00 O ATOM 1049 CB ALA A 67 -4.026 10.477 -2.659 1.00 0.00 C ATOM 0 H ALA A 67 -4.816 12.160 -4.259 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.515 10.618 -4.162 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -3.544 9.651 -2.137 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -3.734 11.419 -2.195 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -5.108 10.362 -2.598 1.00 0.00 H new ATOM 1055 N ARG A 68 -5.195 8.879 -5.098 1.00 0.00 N ATOM 1056 CA ARG A 68 -5.600 7.634 -5.745 1.00 0.00 C ATOM 1057 C ARG A 68 -4.807 7.392 -7.033 1.00 0.00 C ATOM 1058 O ARG A 68 -4.404 6.258 -7.303 1.00 0.00 O ATOM 1059 CB ARG A 68 -7.117 7.595 -6.001 1.00 0.00 C ATOM 1060 CG ARG A 68 -7.899 7.610 -4.680 1.00 0.00 C ATOM 1061 CD ARG A 68 -9.420 7.511 -4.898 1.00 0.00 C ATOM 1062 NE ARG A 68 -10.084 6.694 -3.865 1.00 0.00 N ATOM 1063 CZ ARG A 68 -10.266 6.997 -2.565 1.00 0.00 C ATOM 1064 NH1 ARG A 68 -9.910 8.190 -2.081 1.00 0.00 N ATOM 1065 NH2 ARG A 68 -10.793 6.072 -1.759 1.00 0.00 N ATOM 0 H ARG A 68 -5.965 9.523 -4.918 1.00 0.00 H new ATOM 0 HA ARG A 68 -5.368 6.820 -5.059 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -7.409 8.451 -6.610 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -7.371 6.699 -6.568 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -7.569 6.779 -4.056 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -7.671 8.527 -4.136 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -9.850 8.512 -4.897 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -9.616 7.080 -5.880 1.00 0.00 H new ATOM 0 HE ARG A 68 -10.449 5.792 -4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -9.494 8.887 -2.698 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -10.055 8.404 -1.094 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -11.049 5.157 -2.131 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -10.940 6.280 -0.771 1.00 0.00 H new ATOM 1079 N GLU A 69 -4.575 8.439 -7.830 1.00 0.00 N ATOM 1080 CA GLU A 69 -3.710 8.314 -8.995 1.00 0.00 C ATOM 1081 C GLU A 69 -2.250 8.094 -8.587 1.00 0.00 C ATOM 1082 O GLU A 69 -1.573 7.225 -9.136 1.00 0.00 O ATOM 1083 CB GLU A 69 -3.846 9.519 -9.929 1.00 0.00 C ATOM 1084 CG GLU A 69 -5.172 9.474 -10.700 1.00 0.00 C ATOM 1085 CD GLU A 69 -5.144 10.395 -11.913 1.00 0.00 C ATOM 1086 OE1 GLU A 69 -4.218 10.212 -12.733 1.00 0.00 O ATOM 1087 OE2 GLU A 69 -6.058 11.238 -12.007 1.00 0.00 O ATOM 0 H GLU A 69 -4.970 9.369 -7.689 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.037 7.432 -9.546 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -3.790 10.440 -9.349 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.013 9.534 -10.632 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.372 8.452 -11.022 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.988 9.766 -10.039 1.00 0.00 H new ATOM 1094 N LEU A 70 -1.759 8.860 -7.611 1.00 0.00 N ATOM 1095 CA LEU A 70 -0.395 8.730 -7.120 1.00 0.00 C ATOM 1096 C LEU A 70 -0.117 7.287 -6.688 1.00 0.00 C ATOM 1097 O LEU A 70 0.949 6.747 -6.963 1.00 0.00 O ATOM 1098 CB LEU A 70 -0.128 9.730 -5.985 1.00 0.00 C ATOM 1099 CG LEU A 70 1.362 10.100 -5.934 1.00 0.00 C ATOM 1100 CD1 LEU A 70 1.729 11.072 -7.069 1.00 0.00 C ATOM 1101 CD2 LEU A 70 1.703 10.734 -4.584 1.00 0.00 C ATOM 0 H LEU A 70 -2.300 9.587 -7.142 1.00 0.00 H new ATOM 0 HA LEU A 70 0.294 8.969 -7.930 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -0.727 10.628 -6.135 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -0.434 9.298 -5.032 1.00 0.00 H new ATOM 0 HG LEU A 70 1.940 9.185 -6.061 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.789 11.317 -7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.518 10.604 -8.031 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.140 11.984 -6.972 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.762 10.992 -4.560 1.00 0.00 H new ATOM 0 HD22 LEU A 70 1.107 11.636 -4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 70 1.484 10.027 -3.784 1.00 0.00 H new ATOM 1113 N SER A 71 -1.089 6.628 -6.054 1.00 0.00 N ATOM 1114 CA SER A 71 -1.007 5.215 -5.753 1.00 0.00 C ATOM 1115 C SER A 71 -0.740 4.402 -7.012 1.00 0.00 C ATOM 1116 O SER A 71 0.125 3.535 -7.019 1.00 0.00 O ATOM 1117 CB SER A 71 -2.309 4.755 -5.093 1.00 0.00 C ATOM 1118 OG SER A 71 -2.788 5.730 -4.192 1.00 0.00 O ATOM 0 H SER A 71 -1.953 7.069 -5.738 1.00 0.00 H new ATOM 0 HA SER A 71 -0.175 5.054 -5.067 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.061 4.561 -5.858 1.00 0.00 H new ATOM 0 HB3 SER A 71 -2.142 3.816 -4.565 1.00 0.00 H new ATOM 0 HG SER A 71 -3.621 5.416 -3.783 1.00 0.00 H new ATOM 1124 N LYS A 72 -1.470 4.681 -8.089 1.00 0.00 N ATOM 1125 CA LYS A 72 -1.285 3.999 -9.359 1.00 0.00 C ATOM 1126 C LYS A 72 0.154 4.160 -9.861 1.00 0.00 C ATOM 1127 O LYS A 72 0.762 3.191 -10.296 1.00 0.00 O ATOM 1128 CB LYS A 72 -2.353 4.460 -10.361 1.00 0.00 C ATOM 1129 CG LYS A 72 -3.235 3.287 -10.828 1.00 0.00 C ATOM 1130 CD LYS A 72 -4.648 3.754 -11.213 1.00 0.00 C ATOM 1131 CE LYS A 72 -5.590 3.641 -10.001 1.00 0.00 C ATOM 1132 NZ LYS A 72 -6.942 4.162 -10.291 1.00 0.00 N ATOM 0 H LYS A 72 -2.206 5.387 -8.102 1.00 0.00 H new ATOM 0 HA LYS A 72 -1.427 2.926 -9.229 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -2.978 5.226 -9.901 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -1.870 4.919 -11.224 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -2.768 2.799 -11.683 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -3.302 2.543 -10.034 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -4.616 4.786 -11.564 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -5.028 3.149 -12.036 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -5.663 2.597 -9.697 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -5.164 4.189 -9.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -7.540 4.065 -9.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -6.878 5.166 -10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -7.361 3.623 -11.075 1.00 0.00 H new ATOM 1146 N THR A 73 0.743 5.346 -9.718 1.00 0.00 N ATOM 1147 CA THR A 73 2.171 5.550 -9.961 1.00 0.00 C ATOM 1148 C THR A 73 3.088 4.578 -9.175 1.00 0.00 C ATOM 1149 O THR A 73 4.234 4.385 -9.574 1.00 0.00 O ATOM 1150 CB THR A 73 2.497 7.044 -9.761 1.00 0.00 C ATOM 1151 OG1 THR A 73 2.195 7.754 -10.944 1.00 0.00 O ATOM 1152 CG2 THR A 73 3.933 7.346 -9.343 1.00 0.00 C ATOM 0 H THR A 73 0.247 6.190 -9.432 1.00 0.00 H new ATOM 0 HA THR A 73 2.394 5.289 -10.996 1.00 0.00 H new ATOM 0 HB THR A 73 1.876 7.367 -8.926 1.00 0.00 H new ATOM 0 HG1 THR A 73 2.400 8.704 -10.817 1.00 0.00 H new ATOM 0 HG21 THR A 73 4.060 8.423 -9.229 1.00 0.00 H new ATOM 0 HG22 THR A 73 4.147 6.853 -8.395 1.00 0.00 H new ATOM 0 HG23 THR A 73 4.619 6.979 -10.106 1.00 0.00 H new ATOM 1160 N TYR A 74 2.609 3.936 -8.101 1.00 0.00 N ATOM 1161 CA TYR A 74 3.354 2.965 -7.296 1.00 0.00 C ATOM 1162 C TYR A 74 2.844 1.530 -7.480 1.00 0.00 C ATOM 1163 O TYR A 74 3.203 0.635 -6.716 1.00 0.00 O ATOM 1164 CB TYR A 74 3.255 3.357 -5.819 1.00 0.00 C ATOM 1165 CG TYR A 74 3.981 4.636 -5.467 1.00 0.00 C ATOM 1166 CD1 TYR A 74 5.381 4.694 -5.586 1.00 0.00 C ATOM 1167 CD2 TYR A 74 3.265 5.785 -5.084 1.00 0.00 C ATOM 1168 CE1 TYR A 74 6.043 5.927 -5.471 1.00 0.00 C ATOM 1169 CE2 TYR A 74 3.934 7.011 -4.930 1.00 0.00 C ATOM 1170 CZ TYR A 74 5.312 7.091 -5.191 1.00 0.00 C ATOM 1171 OH TYR A 74 5.948 8.294 -5.187 1.00 0.00 O ATOM 0 H TYR A 74 1.660 4.085 -7.759 1.00 0.00 H new ATOM 0 HA TYR A 74 4.390 2.984 -7.634 1.00 0.00 H new ATOM 0 HB2 TYR A 74 2.203 3.464 -5.553 1.00 0.00 H new ATOM 0 HB3 TYR A 74 3.656 2.546 -5.212 1.00 0.00 H new ATOM 0 HD1 TYR A 74 5.946 3.791 -5.766 1.00 0.00 H new ATOM 0 HD2 TYR A 74 2.201 5.725 -4.908 1.00 0.00 H new ATOM 0 HE1 TYR A 74 7.114 5.979 -5.598 1.00 0.00 H new ATOM 0 HE2 TYR A 74 3.391 7.889 -4.612 1.00 0.00 H new ATOM 0 HH TYR A 74 5.751 8.765 -4.351 1.00 0.00 H new ATOM 1181 N ILE A 75 1.985 1.299 -8.470 1.00 0.00 N ATOM 1182 CA ILE A 75 1.405 -0.012 -8.731 1.00 0.00 C ATOM 1183 C ILE A 75 2.499 -0.989 -9.147 1.00 0.00 C ATOM 1184 O ILE A 75 3.126 -0.825 -10.189 1.00 0.00 O ATOM 1185 CB ILE A 75 0.248 0.134 -9.741 1.00 0.00 C ATOM 1186 CG1 ILE A 75 -0.824 -0.965 -9.616 1.00 0.00 C ATOM 1187 CG2 ILE A 75 0.695 0.329 -11.202 1.00 0.00 C ATOM 1188 CD1 ILE A 75 -0.521 -2.260 -10.380 1.00 0.00 C ATOM 0 H ILE A 75 1.671 2.022 -9.117 1.00 0.00 H new ATOM 0 HA ILE A 75 0.965 -0.438 -7.829 1.00 0.00 H new ATOM 0 HB ILE A 75 -0.225 1.071 -9.448 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.954 -1.206 -8.561 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.774 -0.566 -9.971 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.183 0.423 -11.842 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.299 1.233 -11.280 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.285 -0.530 -11.520 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.334 -2.970 -10.229 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -0.423 -2.041 -11.443 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.410 -2.691 -10.011 1.00 0.00 H new ATOM 1200 N ILE A 76 2.742 -2.003 -8.312 1.00 0.00 N ATOM 1201 CA ILE A 76 3.720 -3.037 -8.610 1.00 0.00 C ATOM 1202 C ILE A 76 3.052 -4.348 -9.014 1.00 0.00 C ATOM 1203 O ILE A 76 3.697 -5.171 -9.660 1.00 0.00 O ATOM 1204 CB ILE A 76 4.653 -3.256 -7.416 1.00 0.00 C ATOM 1205 CG1 ILE A 76 3.886 -3.619 -6.133 1.00 0.00 C ATOM 1206 CG2 ILE A 76 5.538 -2.023 -7.195 1.00 0.00 C ATOM 1207 CD1 ILE A 76 4.654 -4.663 -5.335 1.00 0.00 C ATOM 0 H ILE A 76 2.267 -2.125 -7.418 1.00 0.00 H new ATOM 0 HA ILE A 76 4.311 -2.694 -9.459 1.00 0.00 H new ATOM 0 HB ILE A 76 5.290 -4.108 -7.654 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.736 -2.726 -5.526 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.898 -4.001 -6.388 1.00 0.00 H new ATOM 0 HG21 ILE A 76 6.195 -2.195 -6.343 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.139 -1.842 -8.086 1.00 0.00 H new ATOM 0 HG23 ILE A 76 4.909 -1.154 -6.999 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.099 -4.910 -4.430 1.00 0.00 H new ATOM 0 HD12 ILE A 76 4.781 -5.561 -5.939 1.00 0.00 H new ATOM 0 HD13 ILE A 76 5.632 -4.266 -5.064 1.00 0.00 H new ATOM 1219 N GLY A 77 1.802 -4.555 -8.595 1.00 0.00 N ATOM 1220 CA GLY A 77 1.065 -5.797 -8.698 1.00 0.00 C ATOM 1221 C GLY A 77 -0.362 -5.524 -8.237 1.00 0.00 C ATOM 1222 O GLY A 77 -0.711 -4.383 -7.921 1.00 0.00 O ATOM 0 H GLY A 77 1.256 -3.816 -8.153 1.00 0.00 H new ATOM 0 HA2 GLY A 77 1.073 -6.163 -9.725 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.526 -6.568 -8.081 1.00 0.00 H new ATOM 1226 N GLU A 78 -1.183 -6.567 -8.219 1.00 0.00 N ATOM 1227 CA GLU A 78 -2.611 -6.502 -7.978 1.00 0.00 C ATOM 1228 C GLU A 78 -2.927 -7.495 -6.862 1.00 0.00 C ATOM 1229 O GLU A 78 -2.104 -8.355 -6.555 1.00 0.00 O ATOM 1230 CB GLU A 78 -3.318 -6.807 -9.312 1.00 0.00 C ATOM 1231 CG GLU A 78 -4.845 -6.676 -9.288 1.00 0.00 C ATOM 1232 CD GLU A 78 -5.281 -5.362 -8.675 1.00 0.00 C ATOM 1233 OE1 GLU A 78 -5.355 -4.365 -9.430 1.00 0.00 O ATOM 1234 OE2 GLU A 78 -5.482 -5.380 -7.443 1.00 0.00 O ATOM 0 H GLU A 78 -0.854 -7.519 -8.379 1.00 0.00 H new ATOM 0 HA GLU A 78 -2.960 -5.524 -7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -2.924 -6.136 -10.075 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -3.061 -7.822 -9.617 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.233 -6.751 -10.304 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.273 -7.503 -8.721 1.00 0.00 H new ATOM 1241 N LEU A 79 -4.082 -7.371 -6.217 1.00 0.00 N ATOM 1242 CA LEU A 79 -4.455 -8.292 -5.151 1.00 0.00 C ATOM 1243 C LEU A 79 -5.000 -9.589 -5.753 1.00 0.00 C ATOM 1244 O LEU A 79 -5.694 -9.558 -6.770 1.00 0.00 O ATOM 1245 CB LEU A 79 -5.432 -7.605 -4.185 1.00 0.00 C ATOM 1246 CG LEU A 79 -4.838 -7.573 -2.769 1.00 0.00 C ATOM 1247 CD1 LEU A 79 -5.554 -6.531 -1.914 1.00 0.00 C ATOM 1248 CD2 LEU A 79 -4.920 -8.944 -2.091 1.00 0.00 C ATOM 0 H LEU A 79 -4.772 -6.646 -6.413 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.580 -8.567 -4.562 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.638 -6.590 -4.524 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -6.383 -8.138 -4.177 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.786 -7.303 -2.863 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.121 -6.521 -0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -5.440 -5.547 -2.368 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.613 -6.780 -1.848 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.490 -8.882 -1.091 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -5.963 -9.253 -2.019 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.365 -9.675 -2.680 1.00 0.00 H new ATOM 1260 N HIS A 80 -4.655 -10.737 -5.157 1.00 0.00 N ATOM 1261 CA HIS A 80 -5.092 -12.041 -5.630 1.00 0.00 C ATOM 1262 C HIS A 80 -6.614 -12.077 -5.821 1.00 0.00 C ATOM 1263 O HIS A 80 -7.346 -11.603 -4.953 1.00 0.00 O ATOM 1264 CB HIS A 80 -4.645 -13.112 -4.630 1.00 0.00 C ATOM 1265 CG HIS A 80 -4.577 -14.497 -5.214 1.00 0.00 C ATOM 1266 ND1 HIS A 80 -5.444 -15.538 -4.971 1.00 0.00 N ATOM 1267 CD2 HIS A 80 -3.594 -14.959 -6.048 1.00 0.00 C ATOM 1268 CE1 HIS A 80 -5.001 -16.599 -5.666 1.00 0.00 C ATOM 1269 NE2 HIS A 80 -3.881 -16.294 -6.342 1.00 0.00 N ATOM 0 H HIS A 80 -4.061 -10.779 -4.329 1.00 0.00 H new ATOM 0 HA HIS A 80 -4.637 -12.239 -6.601 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -3.663 -12.844 -4.239 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -5.334 -13.117 -3.785 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -2.749 -14.393 -6.413 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -5.481 -17.567 -5.679 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -3.346 -16.914 -6.950 1.00 0.00 H new ATOM 1277 N PRO A 81 -7.117 -12.659 -6.921 1.00 0.00 N ATOM 1278 CA PRO A 81 -8.539 -12.648 -7.235 1.00 0.00 C ATOM 1279 C PRO A 81 -9.400 -13.310 -6.147 1.00 0.00 C ATOM 1280 O PRO A 81 -10.585 -13.010 -6.045 1.00 0.00 O ATOM 1281 CB PRO A 81 -8.667 -13.293 -8.623 1.00 0.00 C ATOM 1282 CG PRO A 81 -7.363 -14.072 -8.819 1.00 0.00 C ATOM 1283 CD PRO A 81 -6.351 -13.319 -7.966 1.00 0.00 C ATOM 0 HA PRO A 81 -8.933 -11.632 -7.258 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.533 -13.953 -8.673 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -8.796 -12.538 -9.399 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -7.465 -15.108 -8.496 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -7.064 -14.093 -9.867 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -5.617 -14.002 -7.539 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -5.801 -12.592 -8.564 1.00 0.00 H new