USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 656 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 55 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 79 TYR OH : rot -29:sc= 0.069 USER MOD Single : A 9 MET CE :methyl 144:sc= -0.879 (180deg=-3!) USER MOD Single : A 11 THR OG1 : rot 180:sc= -0.42 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -1.93! C(o=-1.9!,f=-3.4!) USER MOD Single : A 17 THR OG1 : rot 58:sc= 0.122 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 CYS SG : rot 180:sc= -0.0159 USER MOD Single : A 29 CYS SG : rot 180:sc= -0.712 USER MOD Single : A 32 SER OG : rot 110:sc= -0.288 USER MOD Single : A 37 ASN : amide:sc= -1! C(o=-1!,f=-4.8!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 ASN : amide:sc= -0.106 K(o=-0.11,f=0.91) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc= -6.23! C(o=-6.2!,f=-6.4!) USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 153:sc= -0.636 (180deg=-1.7!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.181 USER MOD Single : A 82 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 121:sc= 0.0821 USER MOD Single : A 84 THR OG1 : rot 142:sc= -2.79! USER MOD Single : A 87 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 88 SER OG : rot 68:sc= 0.0864 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 59 N GLY A 7 -20.705 -3.708 -2.066 1.00 0.00 N ATOM 60 CA GLY A 7 -19.274 -3.537 -2.234 1.00 0.00 C ATOM 61 C GLY A 7 -18.641 -2.783 -1.081 1.00 0.00 C ATOM 62 O GLY A 7 -19.328 -2.385 -0.139 1.00 0.00 O ATOM 0 HA2 GLY A 7 -18.803 -4.515 -2.327 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -19.082 -3.001 -3.164 1.00 0.00 H new ATOM 66 N ILE A 8 -17.329 -2.586 -1.154 1.00 0.00 N ATOM 67 CA ILE A 8 -16.605 -1.876 -0.108 1.00 0.00 C ATOM 68 C ILE A 8 -15.951 -0.611 -0.654 1.00 0.00 C ATOM 69 O ILE A 8 -15.249 -0.650 -1.664 1.00 0.00 O ATOM 70 CB ILE A 8 -15.522 -2.765 0.531 1.00 0.00 C ATOM 71 CG1 ILE A 8 -16.167 -3.921 1.298 1.00 0.00 C ATOM 72 CG2 ILE A 8 -14.635 -1.941 1.452 1.00 0.00 C ATOM 73 CD1 ILE A 8 -15.205 -5.043 1.623 1.00 0.00 C ATOM 0 H ILE A 8 -16.746 -2.908 -1.927 1.00 0.00 H new ATOM 0 HA ILE A 8 -17.336 -1.605 0.653 1.00 0.00 H new ATOM 0 HB ILE A 8 -14.901 -3.182 -0.262 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -16.592 -3.538 2.226 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -16.993 -4.321 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -13.875 -2.584 1.896 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -14.152 -1.149 0.879 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -15.242 -1.499 2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -15.731 -5.827 2.167 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -14.798 -5.453 0.698 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -14.392 -4.658 2.238 1.00 0.00 H new ATOM 85 N MET A 9 -16.185 0.509 0.023 1.00 0.00 N ATOM 86 CA MET A 9 -15.616 1.786 -0.394 1.00 0.00 C ATOM 87 C MET A 9 -14.528 2.237 0.575 1.00 0.00 C ATOM 88 O MET A 9 -14.649 2.059 1.787 1.00 0.00 O ATOM 89 CB MET A 9 -16.711 2.851 -0.483 1.00 0.00 C ATOM 90 CG MET A 9 -18.042 2.315 -0.984 1.00 0.00 C ATOM 91 SD MET A 9 -17.996 1.865 -2.730 1.00 0.00 S ATOM 92 CE MET A 9 -18.613 0.185 -2.663 1.00 0.00 C ATOM 0 H MET A 9 -16.764 0.558 0.861 1.00 0.00 H new ATOM 0 HA MET A 9 -15.168 1.653 -1.379 1.00 0.00 H new ATOM 0 HB2 MET A 9 -16.855 3.295 0.502 1.00 0.00 H new ATOM 0 HB3 MET A 9 -16.377 3.649 -1.146 1.00 0.00 H new ATOM 0 HG2 MET A 9 -18.323 1.442 -0.395 1.00 0.00 H new ATOM 0 HG3 MET A 9 -18.815 3.067 -0.827 1.00 0.00 H new ATOM 0 HE1 MET A 9 -19.226 -0.013 -3.542 1.00 0.00 H new ATOM 0 HE2 MET A 9 -17.774 -0.510 -2.642 1.00 0.00 H new ATOM 0 HE3 MET A 9 -19.215 0.054 -1.764 1.00 0.00 H new ATOM 102 N VAL A 10 -13.465 2.824 0.033 1.00 0.00 N ATOM 103 CA VAL A 10 -12.356 3.302 0.850 1.00 0.00 C ATOM 104 C VAL A 10 -12.627 4.707 1.377 1.00 0.00 C ATOM 105 O VAL A 10 -12.419 5.696 0.674 1.00 0.00 O ATOM 106 CB VAL A 10 -11.037 3.308 0.056 1.00 0.00 C ATOM 107 CG1 VAL A 10 -11.277 3.762 -1.376 1.00 0.00 C ATOM 108 CG2 VAL A 10 -10.008 4.197 0.740 1.00 0.00 C ATOM 0 H VAL A 10 -13.349 2.980 -0.968 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.262 2.614 1.691 1.00 0.00 H new ATOM 0 HB VAL A 10 -10.645 2.291 0.028 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.333 3.760 -1.921 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -11.978 3.082 -1.861 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -11.692 4.770 -1.373 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -9.082 4.190 0.166 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -10.390 5.216 0.800 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -9.814 3.823 1.745 1.00 0.00 H new ATOM 118 N THR A 11 -13.093 4.788 2.619 1.00 0.00 N ATOM 119 CA THR A 11 -13.394 6.071 3.241 1.00 0.00 C ATOM 120 C THR A 11 -12.136 6.921 3.383 1.00 0.00 C ATOM 121 O THR A 11 -12.121 8.094 3.010 1.00 0.00 O ATOM 122 CB THR A 11 -14.035 5.887 4.629 1.00 0.00 C ATOM 123 OG1 THR A 11 -13.027 5.571 5.596 1.00 0.00 O ATOM 124 CG2 THR A 11 -15.081 4.783 4.600 1.00 0.00 C ATOM 0 H THR A 11 -13.270 3.979 3.215 1.00 0.00 H new ATOM 0 HA THR A 11 -14.102 6.580 2.588 1.00 0.00 H new ATOM 0 HB THR A 11 -14.524 6.821 4.906 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.442 5.457 6.476 1.00 0.00 H new ATOM 0 HG21 THR A 11 -15.520 4.671 5.591 1.00 0.00 H new ATOM 0 HG22 THR A 11 -15.862 5.040 3.884 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.612 3.845 4.303 1.00 0.00 H new ATOM 132 N LYS A 12 -11.081 6.322 3.925 1.00 0.00 N ATOM 133 CA LYS A 12 -9.817 7.022 4.115 1.00 0.00 C ATOM 134 C LYS A 12 -8.838 6.693 2.993 1.00 0.00 C ATOM 135 O LYS A 12 -8.235 5.620 2.979 1.00 0.00 O ATOM 136 CB LYS A 12 -9.203 6.652 5.467 1.00 0.00 C ATOM 137 CG LYS A 12 -8.070 7.569 5.892 1.00 0.00 C ATOM 138 CD LYS A 12 -7.457 7.124 7.210 1.00 0.00 C ATOM 139 CE LYS A 12 -6.246 7.969 7.574 1.00 0.00 C ATOM 140 NZ LYS A 12 -6.631 9.198 8.321 1.00 0.00 N ATOM 0 H LYS A 12 -11.077 5.352 4.241 1.00 0.00 H new ATOM 0 HA LYS A 12 -10.018 8.093 4.095 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -9.982 6.674 6.229 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -8.832 5.628 5.420 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -7.302 7.583 5.119 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -8.443 8.589 5.989 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -8.203 7.195 8.002 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -7.164 6.076 7.141 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -5.559 7.377 8.178 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -5.712 8.248 6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -5.778 9.746 8.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -7.267 9.776 7.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -7.118 8.931 9.200 1.00 0.00 H new ATOM 154 N GLN A 13 -8.684 7.622 2.055 1.00 0.00 N ATOM 155 CA GLN A 13 -7.777 7.429 0.930 1.00 0.00 C ATOM 156 C GLN A 13 -6.323 7.545 1.377 1.00 0.00 C ATOM 157 O GLN A 13 -6.032 8.074 2.450 1.00 0.00 O ATOM 158 CB GLN A 13 -8.068 8.453 -0.168 1.00 0.00 C ATOM 159 CG GLN A 13 -9.390 8.220 -0.883 1.00 0.00 C ATOM 160 CD GLN A 13 -9.248 7.315 -2.091 1.00 0.00 C ATOM 161 OE1 GLN A 13 -8.358 7.502 -2.920 1.00 0.00 O ATOM 162 NE2 GLN A 13 -10.129 6.326 -2.196 1.00 0.00 N ATOM 0 H GLN A 13 -9.176 8.516 2.052 1.00 0.00 H new ATOM 0 HA GLN A 13 -7.938 6.426 0.534 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.072 9.451 0.270 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -7.260 8.429 -0.899 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -10.103 7.780 -0.186 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -9.802 9.179 -1.198 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -10.851 6.208 -1.485 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -10.084 5.685 -2.988 1.00 0.00 H new ATOM 171 N LEU A 14 -5.413 7.046 0.547 1.00 0.00 N ATOM 172 CA LEU A 14 -3.988 7.093 0.856 1.00 0.00 C ATOM 173 C LEU A 14 -3.468 8.526 0.810 1.00 0.00 C ATOM 174 O LEU A 14 -4.041 9.382 0.138 1.00 0.00 O ATOM 175 CB LEU A 14 -3.204 6.221 -0.126 1.00 0.00 C ATOM 176 CG LEU A 14 -3.551 4.731 -0.126 1.00 0.00 C ATOM 177 CD1 LEU A 14 -2.963 4.047 -1.350 1.00 0.00 C ATOM 178 CD2 LEU A 14 -3.052 4.068 1.149 1.00 0.00 C ATOM 0 H LEU A 14 -5.637 6.604 -0.345 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.847 6.708 1.866 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.361 6.610 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.142 6.326 0.094 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.636 4.629 -0.164 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.220 2.988 -1.333 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.368 4.505 -2.252 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.879 4.158 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -3.307 3.008 1.132 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -1.970 4.179 1.218 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -3.521 4.540 2.012 1.00 0.00 H new ATOM 190 N GLU A 15 -2.377 8.777 1.526 1.00 0.00 N ATOM 191 CA GLU A 15 -1.778 10.106 1.565 1.00 0.00 C ATOM 192 C GLU A 15 -0.312 10.056 1.144 1.00 0.00 C ATOM 193 O GLU A 15 0.421 9.140 1.519 1.00 0.00 O ATOM 194 CB GLU A 15 -1.897 10.703 2.969 1.00 0.00 C ATOM 195 CG GLU A 15 -3.329 10.979 3.394 1.00 0.00 C ATOM 196 CD GLU A 15 -3.467 11.166 4.892 1.00 0.00 C ATOM 197 OE1 GLU A 15 -2.734 10.492 5.645 1.00 0.00 O ATOM 198 OE2 GLU A 15 -4.309 11.988 5.312 1.00 0.00 O ATOM 0 H GLU A 15 -1.890 8.078 2.087 1.00 0.00 H new ATOM 0 HA GLU A 15 -2.318 10.740 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -1.440 10.020 3.685 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -1.330 11.633 3.008 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -3.689 11.873 2.885 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -3.964 10.153 3.075 1.00 0.00 H new ATOM 205 N ASP A 16 0.107 11.045 0.363 1.00 0.00 N ATOM 206 CA ASP A 16 1.485 11.114 -0.110 1.00 0.00 C ATOM 207 C ASP A 16 2.465 10.928 1.045 1.00 0.00 C ATOM 208 O ASP A 16 2.306 11.522 2.112 1.00 0.00 O ATOM 209 CB ASP A 16 1.742 12.453 -0.802 1.00 0.00 C ATOM 210 CG ASP A 16 3.195 12.878 -0.719 1.00 0.00 C ATOM 211 OD1 ASP A 16 3.583 13.466 0.313 1.00 0.00 O ATOM 212 OD2 ASP A 16 3.944 12.623 -1.685 1.00 0.00 O ATOM 0 H ASP A 16 -0.487 11.810 0.044 1.00 0.00 H new ATOM 0 HA ASP A 16 1.639 10.308 -0.827 1.00 0.00 H new ATOM 0 HB2 ASP A 16 1.447 12.380 -1.849 1.00 0.00 H new ATOM 0 HB3 ASP A 16 1.115 13.220 -0.347 1.00 0.00 H new ATOM 217 N THR A 17 3.480 10.098 0.825 1.00 0.00 N ATOM 218 CA THR A 17 4.484 9.831 1.847 1.00 0.00 C ATOM 219 C THR A 17 5.893 9.983 1.285 1.00 0.00 C ATOM 220 O THR A 17 6.162 9.610 0.143 1.00 0.00 O ATOM 221 CB THR A 17 4.327 8.415 2.433 1.00 0.00 C ATOM 222 OG1 THR A 17 3.030 8.270 3.021 1.00 0.00 O ATOM 223 CG2 THR A 17 5.397 8.141 3.479 1.00 0.00 C ATOM 0 H THR A 17 3.628 9.599 -0.052 1.00 0.00 H new ATOM 0 HA THR A 17 4.331 10.563 2.640 1.00 0.00 H new ATOM 0 HB THR A 17 4.441 7.695 1.623 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.343 8.447 2.345 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.266 7.135 3.879 1.00 0.00 H new ATOM 0 HG22 THR A 17 6.383 8.224 3.021 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.310 8.867 4.287 1.00 0.00 H new ATOM 231 N THR A 18 6.793 10.532 2.096 1.00 0.00 N ATOM 232 CA THR A 18 8.175 10.733 1.680 1.00 0.00 C ATOM 233 C THR A 18 9.142 10.040 2.633 1.00 0.00 C ATOM 234 O THR A 18 9.392 10.522 3.738 1.00 0.00 O ATOM 235 CB THR A 18 8.527 12.231 1.608 1.00 0.00 C ATOM 236 OG1 THR A 18 7.664 12.893 0.677 1.00 0.00 O ATOM 237 CG2 THR A 18 9.977 12.426 1.190 1.00 0.00 C ATOM 0 H THR A 18 6.589 10.845 3.045 1.00 0.00 H new ATOM 0 HA THR A 18 8.273 10.296 0.686 1.00 0.00 H new ATOM 0 HB THR A 18 8.390 12.662 2.600 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.893 13.845 0.638 1.00 0.00 H new ATOM 0 HG21 THR A 18 10.203 13.491 1.146 1.00 0.00 H new ATOM 0 HG22 THR A 18 10.633 11.946 1.916 1.00 0.00 H new ATOM 0 HG23 THR A 18 10.136 11.981 0.208 1.00 0.00 H new ATOM 245 N ALA A 19 9.685 8.908 2.198 1.00 0.00 N ATOM 246 CA ALA A 19 10.628 8.151 3.012 1.00 0.00 C ATOM 247 C ALA A 19 12.046 8.272 2.464 1.00 0.00 C ATOM 248 O ALA A 19 12.272 8.902 1.431 1.00 0.00 O ATOM 249 CB ALA A 19 10.210 6.690 3.081 1.00 0.00 C ATOM 0 H ALA A 19 9.488 8.495 1.286 1.00 0.00 H new ATOM 0 HA ALA A 19 10.619 8.569 4.019 1.00 0.00 H new ATOM 0 HB1 ALA A 19 10.923 6.136 3.692 1.00 0.00 H new ATOM 0 HB2 ALA A 19 9.217 6.616 3.525 1.00 0.00 H new ATOM 0 HB3 ALA A 19 10.190 6.269 2.076 1.00 0.00 H new ATOM 255 N TYR A 20 12.999 7.665 3.164 1.00 0.00 N ATOM 256 CA TYR A 20 14.396 7.708 2.749 1.00 0.00 C ATOM 257 C TYR A 20 14.857 6.343 2.246 1.00 0.00 C ATOM 258 O TYR A 20 14.127 5.356 2.340 1.00 0.00 O ATOM 259 CB TYR A 20 15.281 8.160 3.912 1.00 0.00 C ATOM 260 CG TYR A 20 15.256 9.653 4.147 1.00 0.00 C ATOM 261 CD1 TYR A 20 15.783 10.533 3.209 1.00 0.00 C ATOM 262 CD2 TYR A 20 14.705 10.185 5.306 1.00 0.00 C ATOM 263 CE1 TYR A 20 15.763 11.898 3.420 1.00 0.00 C ATOM 264 CE2 TYR A 20 14.679 11.549 5.525 1.00 0.00 C ATOM 265 CZ TYR A 20 15.209 12.401 4.579 1.00 0.00 C ATOM 266 OH TYR A 20 15.186 13.760 4.792 1.00 0.00 O ATOM 0 H TYR A 20 12.829 7.138 4.021 1.00 0.00 H new ATOM 0 HA TYR A 20 14.484 8.425 1.933 1.00 0.00 H new ATOM 0 HB2 TYR A 20 14.959 7.652 4.821 1.00 0.00 H new ATOM 0 HB3 TYR A 20 16.307 7.848 3.719 1.00 0.00 H new ATOM 0 HD1 TYR A 20 16.216 10.143 2.300 1.00 0.00 H new ATOM 0 HD2 TYR A 20 14.290 9.521 6.049 1.00 0.00 H new ATOM 0 HE1 TYR A 20 16.179 12.568 2.682 1.00 0.00 H new ATOM 0 HE2 TYR A 20 14.246 11.946 6.432 1.00 0.00 H new ATOM 0 HH TYR A 20 14.761 13.949 5.655 1.00 0.00 H new ATOM 276 N CYS A 21 16.072 6.297 1.711 1.00 0.00 N ATOM 277 CA CYS A 21 16.632 5.054 1.192 1.00 0.00 C ATOM 278 C CYS A 21 16.962 4.090 2.327 1.00 0.00 C ATOM 279 O CYS A 21 17.870 4.337 3.120 1.00 0.00 O ATOM 280 CB CYS A 21 17.889 5.341 0.369 1.00 0.00 C ATOM 281 SG CYS A 21 18.832 3.865 -0.078 1.00 0.00 S ATOM 0 H CYS A 21 16.688 7.105 1.625 1.00 0.00 H new ATOM 0 HA CYS A 21 15.884 4.588 0.550 1.00 0.00 H new ATOM 0 HB2 CYS A 21 17.602 5.865 -0.542 1.00 0.00 H new ATOM 0 HB3 CYS A 21 18.534 6.014 0.934 1.00 0.00 H new ATOM 0 HG CYS A 21 19.874 4.210 -0.774 1.00 0.00 H new ATOM 287 N GLY A 22 16.217 2.991 2.399 1.00 0.00 N ATOM 288 CA GLY A 22 16.445 2.008 3.442 1.00 0.00 C ATOM 289 C GLY A 22 15.432 2.109 4.565 1.00 0.00 C ATOM 290 O GLY A 22 15.267 1.172 5.346 1.00 0.00 O ATOM 0 H GLY A 22 15.460 2.764 1.754 1.00 0.00 H new ATOM 0 HA2 GLY A 22 16.405 1.008 3.010 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.448 2.140 3.848 1.00 0.00 H new ATOM 294 N GLU A 23 14.754 3.250 4.648 1.00 0.00 N ATOM 295 CA GLU A 23 13.755 3.469 5.687 1.00 0.00 C ATOM 296 C GLU A 23 12.528 2.592 5.456 1.00 0.00 C ATOM 297 O GLU A 23 12.341 2.041 4.371 1.00 0.00 O ATOM 298 CB GLU A 23 13.343 4.943 5.726 1.00 0.00 C ATOM 299 CG GLU A 23 14.292 5.820 6.525 1.00 0.00 C ATOM 300 CD GLU A 23 13.733 7.207 6.774 1.00 0.00 C ATOM 301 OE1 GLU A 23 12.729 7.567 6.126 1.00 0.00 O ATOM 302 OE2 GLU A 23 14.301 7.933 7.617 1.00 0.00 O ATOM 0 H GLU A 23 14.878 4.035 4.009 1.00 0.00 H new ATOM 0 HA GLU A 23 14.198 3.197 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 23 13.284 5.322 4.706 1.00 0.00 H new ATOM 0 HB3 GLU A 23 12.343 5.021 6.153 1.00 0.00 H new ATOM 0 HG2 GLU A 23 14.506 5.341 7.481 1.00 0.00 H new ATOM 0 HG3 GLU A 23 15.239 5.904 5.992 1.00 0.00 H new ATOM 309 N ARG A 24 11.694 2.468 6.484 1.00 0.00 N ATOM 310 CA ARG A 24 10.486 1.657 6.394 1.00 0.00 C ATOM 311 C ARG A 24 9.256 2.535 6.185 1.00 0.00 C ATOM 312 O ARG A 24 8.970 3.423 6.989 1.00 0.00 O ATOM 313 CB ARG A 24 10.316 0.815 7.660 1.00 0.00 C ATOM 314 CG ARG A 24 8.937 0.190 7.795 1.00 0.00 C ATOM 315 CD ARG A 24 8.535 0.038 9.253 1.00 0.00 C ATOM 316 NE ARG A 24 8.885 -1.277 9.783 1.00 0.00 N ATOM 317 CZ ARG A 24 10.081 -1.577 10.276 1.00 0.00 C ATOM 318 NH1 ARG A 24 11.037 -0.659 10.307 1.00 0.00 N ATOM 319 NH2 ARG A 24 10.323 -2.796 10.740 1.00 0.00 N ATOM 0 H ARG A 24 11.833 2.919 7.388 1.00 0.00 H new ATOM 0 HA ARG A 24 10.587 0.993 5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 24 11.066 0.024 7.664 1.00 0.00 H new ATOM 0 HB3 ARG A 24 10.509 1.441 8.531 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.204 0.808 7.277 1.00 0.00 H new ATOM 0 HG3 ARG A 24 8.930 -0.786 7.311 1.00 0.00 H new ATOM 0 HD2 ARG A 24 9.025 0.810 9.846 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.461 0.194 9.351 1.00 0.00 H new ATOM 0 HE ARG A 24 8.171 -2.006 9.774 1.00 0.00 H new ATOM 0 HH11 ARG A 24 10.854 0.280 9.952 1.00 0.00 H new ATOM 0 HH12 ARG A 24 11.955 -0.891 10.686 1.00 0.00 H new ATOM 0 HH21 ARG A 24 9.590 -3.505 10.718 1.00 0.00 H new ATOM 0 HH22 ARG A 24 11.242 -3.025 11.118 1.00 0.00 H new ATOM 333 N VAL A 25 8.532 2.282 5.100 1.00 0.00 N ATOM 334 CA VAL A 25 7.332 3.049 4.785 1.00 0.00 C ATOM 335 C VAL A 25 6.082 2.354 5.312 1.00 0.00 C ATOM 336 O VAL A 25 5.963 1.131 5.242 1.00 0.00 O ATOM 337 CB VAL A 25 7.185 3.263 3.267 1.00 0.00 C ATOM 338 CG1 VAL A 25 5.984 4.146 2.966 1.00 0.00 C ATOM 339 CG2 VAL A 25 8.457 3.863 2.688 1.00 0.00 C ATOM 0 H VAL A 25 8.755 1.552 4.424 1.00 0.00 H new ATOM 0 HA VAL A 25 7.439 4.018 5.272 1.00 0.00 H new ATOM 0 HB VAL A 25 7.020 2.294 2.795 1.00 0.00 H new ATOM 0 HG11 VAL A 25 5.896 4.286 1.889 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.079 3.671 3.345 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.115 5.115 3.448 1.00 0.00 H new ATOM 0 HG21 VAL A 25 8.335 4.007 1.614 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.655 4.824 3.163 1.00 0.00 H new ATOM 0 HG23 VAL A 25 9.293 3.188 2.871 1.00 0.00 H new ATOM 349 N GLU A 26 5.151 3.143 5.840 1.00 0.00 N ATOM 350 CA GLU A 26 3.909 2.603 6.380 1.00 0.00 C ATOM 351 C GLU A 26 2.706 3.394 5.874 1.00 0.00 C ATOM 352 O GLU A 26 2.517 4.557 6.235 1.00 0.00 O ATOM 353 CB GLU A 26 3.940 2.623 7.909 1.00 0.00 C ATOM 354 CG GLU A 26 4.684 1.447 8.518 1.00 0.00 C ATOM 355 CD GLU A 26 4.253 1.159 9.944 1.00 0.00 C ATOM 356 OE1 GLU A 26 3.939 2.122 10.674 1.00 0.00 O ATOM 357 OE2 GLU A 26 4.231 -0.029 10.329 1.00 0.00 O ATOM 0 H GLU A 26 5.234 4.158 5.905 1.00 0.00 H new ATOM 0 HA GLU A 26 3.813 1.572 6.040 1.00 0.00 H new ATOM 0 HB2 GLU A 26 4.407 3.550 8.242 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.917 2.629 8.285 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.518 0.560 7.906 1.00 0.00 H new ATOM 0 HG3 GLU A 26 5.755 1.651 8.500 1.00 0.00 H new ATOM 364 N LEU A 27 1.896 2.757 5.036 1.00 0.00 N ATOM 365 CA LEU A 27 0.711 3.400 4.479 1.00 0.00 C ATOM 366 C LEU A 27 -0.553 2.913 5.180 1.00 0.00 C ATOM 367 O LEU A 27 -0.898 1.734 5.108 1.00 0.00 O ATOM 368 CB LEU A 27 0.614 3.125 2.978 1.00 0.00 C ATOM 369 CG LEU A 27 1.871 3.422 2.159 1.00 0.00 C ATOM 370 CD1 LEU A 27 1.697 2.949 0.724 1.00 0.00 C ATOM 371 CD2 LEU A 27 2.194 4.908 2.197 1.00 0.00 C ATOM 0 H LEU A 27 2.038 1.795 4.727 1.00 0.00 H new ATOM 0 HA LEU A 27 0.802 4.474 4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.352 2.076 2.837 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.207 3.716 2.573 1.00 0.00 H new ATOM 0 HG LEU A 27 2.706 2.878 2.601 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.601 3.169 0.156 1.00 0.00 H new ATOM 0 HD12 LEU A 27 1.515 1.874 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.850 3.465 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.091 5.100 1.609 1.00 0.00 H new ATOM 0 HD22 LEU A 27 1.360 5.472 1.781 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.363 5.217 3.228 1.00 0.00 H new ATOM 383 N GLU A 28 -1.241 3.829 5.855 1.00 0.00 N ATOM 384 CA GLU A 28 -2.468 3.492 6.566 1.00 0.00 C ATOM 385 C GLU A 28 -3.694 3.972 5.795 1.00 0.00 C ATOM 386 O GLU A 28 -3.635 4.966 5.071 1.00 0.00 O ATOM 387 CB GLU A 28 -2.458 4.109 7.966 1.00 0.00 C ATOM 388 CG GLU A 28 -3.498 3.515 8.901 1.00 0.00 C ATOM 389 CD GLU A 28 -3.972 4.503 9.950 1.00 0.00 C ATOM 390 OE1 GLU A 28 -3.117 5.192 10.544 1.00 0.00 O ATOM 391 OE2 GLU A 28 -5.197 4.587 10.176 1.00 0.00 O ATOM 0 H GLU A 28 -0.969 4.810 5.924 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.519 2.407 6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.469 3.976 8.405 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.628 5.182 7.882 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -4.353 3.173 8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.078 2.639 9.396 1.00 0.00 H new ATOM 398 N CYS A 29 -4.803 3.258 5.956 1.00 0.00 N ATOM 399 CA CYS A 29 -6.043 3.610 5.274 1.00 0.00 C ATOM 400 C CYS A 29 -7.242 2.959 5.956 1.00 0.00 C ATOM 401 O CYS A 29 -7.086 2.186 6.900 1.00 0.00 O ATOM 402 CB CYS A 29 -5.982 3.182 3.807 1.00 0.00 C ATOM 403 SG CYS A 29 -6.064 1.394 3.555 1.00 0.00 S ATOM 0 H CYS A 29 -4.869 2.433 6.552 1.00 0.00 H new ATOM 0 HA CYS A 29 -6.162 4.692 5.325 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -6.805 3.652 3.268 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -5.058 3.558 3.368 1.00 0.00 H new ATOM 0 HG CYS A 29 -6.008 1.132 2.283 1.00 0.00 H new ATOM 409 N GLU A 30 -8.438 3.280 5.472 1.00 0.00 N ATOM 410 CA GLU A 30 -9.664 2.728 6.038 1.00 0.00 C ATOM 411 C GLU A 30 -10.643 2.334 4.936 1.00 0.00 C ATOM 412 O GLU A 30 -10.511 2.765 3.790 1.00 0.00 O ATOM 413 CB GLU A 30 -10.319 3.741 6.979 1.00 0.00 C ATOM 414 CG GLU A 30 -9.786 3.684 8.401 1.00 0.00 C ATOM 415 CD GLU A 30 -10.422 4.723 9.304 1.00 0.00 C ATOM 416 OE1 GLU A 30 -11.564 5.140 9.016 1.00 0.00 O ATOM 417 OE2 GLU A 30 -9.778 5.120 10.298 1.00 0.00 O ATOM 0 H GLU A 30 -8.584 3.919 4.690 1.00 0.00 H new ATOM 0 HA GLU A 30 -9.402 1.834 6.604 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -10.166 4.745 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -11.395 3.566 6.996 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -9.966 2.691 8.813 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -8.706 3.832 8.387 1.00 0.00 H new ATOM 424 N VAL A 31 -11.624 1.511 5.291 1.00 0.00 N ATOM 425 CA VAL A 31 -12.626 1.058 4.333 1.00 0.00 C ATOM 426 C VAL A 31 -14.035 1.220 4.894 1.00 0.00 C ATOM 427 O VAL A 31 -14.221 1.754 5.987 1.00 0.00 O ATOM 428 CB VAL A 31 -12.406 -0.415 3.945 1.00 0.00 C ATOM 429 CG1 VAL A 31 -11.361 -0.527 2.845 1.00 0.00 C ATOM 430 CG2 VAL A 31 -12.000 -1.232 5.162 1.00 0.00 C ATOM 0 H VAL A 31 -11.747 1.144 6.235 1.00 0.00 H new ATOM 0 HA VAL A 31 -12.518 1.680 3.444 1.00 0.00 H new ATOM 0 HB VAL A 31 -13.345 -0.816 3.564 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -11.219 -1.576 2.584 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -11.697 0.024 1.966 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -10.417 -0.109 3.196 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -11.849 -2.271 4.869 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -11.074 -0.833 5.576 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -12.786 -1.178 5.915 1.00 0.00 H new ATOM 440 N SER A 32 -15.024 0.753 4.139 1.00 0.00 N ATOM 441 CA SER A 32 -16.417 0.848 4.559 1.00 0.00 C ATOM 442 C SER A 32 -16.803 -0.342 5.433 1.00 0.00 C ATOM 443 O SER A 32 -17.604 -0.211 6.358 1.00 0.00 O ATOM 444 CB SER A 32 -17.336 0.917 3.338 1.00 0.00 C ATOM 445 OG SER A 32 -17.130 -0.192 2.481 1.00 0.00 O ATOM 0 H SER A 32 -14.886 0.305 3.233 1.00 0.00 H new ATOM 0 HA SER A 32 -16.533 1.760 5.145 1.00 0.00 H new ATOM 0 HB2 SER A 32 -18.376 0.941 3.663 1.00 0.00 H new ATOM 0 HB3 SER A 32 -17.151 1.842 2.792 1.00 0.00 H new ATOM 0 HG SER A 32 -17.910 -0.784 2.519 1.00 0.00 H new ATOM 451 N GLU A 33 -16.227 -1.501 5.132 1.00 0.00 N ATOM 452 CA GLU A 33 -16.511 -2.714 5.890 1.00 0.00 C ATOM 453 C GLU A 33 -15.227 -3.320 6.450 1.00 0.00 C ATOM 454 O GLU A 33 -14.232 -3.459 5.738 1.00 0.00 O ATOM 455 CB GLU A 33 -17.228 -3.738 5.007 1.00 0.00 C ATOM 456 CG GLU A 33 -18.554 -3.242 4.454 1.00 0.00 C ATOM 457 CD GLU A 33 -19.725 -3.581 5.356 1.00 0.00 C ATOM 458 OE1 GLU A 33 -19.538 -3.591 6.591 1.00 0.00 O ATOM 459 OE2 GLU A 33 -20.827 -3.836 4.828 1.00 0.00 O ATOM 0 H GLU A 33 -15.561 -1.626 4.369 1.00 0.00 H new ATOM 0 HA GLU A 33 -17.160 -2.446 6.724 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -16.576 -4.009 4.177 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -17.402 -4.646 5.585 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -18.506 -2.162 4.318 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -18.720 -3.680 3.470 1.00 0.00 H new ATOM 466 N ASP A 34 -15.257 -3.677 7.729 1.00 0.00 N ATOM 467 CA ASP A 34 -14.096 -4.268 8.385 1.00 0.00 C ATOM 468 C ASP A 34 -13.647 -5.532 7.659 1.00 0.00 C ATOM 469 O ASP A 34 -14.298 -5.983 6.717 1.00 0.00 O ATOM 470 CB ASP A 34 -14.419 -4.591 9.845 1.00 0.00 C ATOM 471 CG ASP A 34 -15.881 -4.932 10.053 1.00 0.00 C ATOM 472 OD1 ASP A 34 -16.382 -5.843 9.361 1.00 0.00 O ATOM 473 OD2 ASP A 34 -16.525 -4.287 10.907 1.00 0.00 O ATOM 0 H ASP A 34 -16.072 -3.568 8.332 1.00 0.00 H new ATOM 0 HA ASP A 34 -13.282 -3.543 8.352 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -13.803 -5.428 10.173 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -14.156 -3.737 10.470 1.00 0.00 H new ATOM 478 N ASP A 35 -12.529 -6.097 8.103 1.00 0.00 N ATOM 479 CA ASP A 35 -11.992 -7.309 7.495 1.00 0.00 C ATOM 480 C ASP A 35 -12.168 -7.281 5.980 1.00 0.00 C ATOM 481 O ASP A 35 -12.545 -8.282 5.371 1.00 0.00 O ATOM 482 CB ASP A 35 -12.679 -8.545 8.078 1.00 0.00 C ATOM 483 CG ASP A 35 -14.191 -8.442 8.034 1.00 0.00 C ATOM 484 OD1 ASP A 35 -14.760 -8.548 6.928 1.00 0.00 O ATOM 485 OD2 ASP A 35 -14.804 -8.254 9.106 1.00 0.00 O ATOM 0 H ASP A 35 -11.978 -5.735 8.881 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.926 -7.356 7.718 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.362 -9.429 7.524 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -12.357 -8.683 9.110 1.00 0.00 H new ATOM 490 N ALA A 36 -11.892 -6.128 5.378 1.00 0.00 N ATOM 491 CA ALA A 36 -12.019 -5.971 3.935 1.00 0.00 C ATOM 492 C ALA A 36 -10.699 -6.270 3.232 1.00 0.00 C ATOM 493 O ALA A 36 -9.809 -5.423 3.176 1.00 0.00 O ATOM 494 CB ALA A 36 -12.492 -4.565 3.597 1.00 0.00 C ATOM 0 H ALA A 36 -11.579 -5.290 5.868 1.00 0.00 H new ATOM 0 HA ALA A 36 -12.760 -6.687 3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -12.583 -4.462 2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -13.462 -4.386 4.061 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -11.771 -3.839 3.972 1.00 0.00 H new ATOM 500 N ASN A 37 -10.580 -7.481 2.698 1.00 0.00 N ATOM 501 CA ASN A 37 -9.367 -7.893 2.000 1.00 0.00 C ATOM 502 C ASN A 37 -9.061 -6.950 0.840 1.00 0.00 C ATOM 503 O ASN A 37 -9.521 -7.160 -0.283 1.00 0.00 O ATOM 504 CB ASN A 37 -9.513 -9.325 1.483 1.00 0.00 C ATOM 505 CG ASN A 37 -8.293 -9.787 0.709 1.00 0.00 C ATOM 506 OD1 ASN A 37 -7.364 -9.015 0.474 1.00 0.00 O ATOM 507 ND2 ASN A 37 -8.292 -11.053 0.308 1.00 0.00 N ATOM 0 H ASN A 37 -11.308 -8.194 2.735 1.00 0.00 H new ATOM 0 HA ASN A 37 -8.538 -7.852 2.707 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -9.682 -9.997 2.325 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -10.392 -9.389 0.842 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -7.499 -11.421 -0.217 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -9.084 -11.657 0.525 1.00 0.00 H new ATOM 514 N VAL A 38 -8.281 -5.911 1.120 1.00 0.00 N ATOM 515 CA VAL A 38 -7.912 -4.936 0.100 1.00 0.00 C ATOM 516 C VAL A 38 -6.769 -5.453 -0.766 1.00 0.00 C ATOM 517 O VAL A 38 -6.009 -6.330 -0.353 1.00 0.00 O ATOM 518 CB VAL A 38 -7.496 -3.594 0.731 1.00 0.00 C ATOM 519 CG1 VAL A 38 -8.534 -3.136 1.745 1.00 0.00 C ATOM 520 CG2 VAL A 38 -6.124 -3.711 1.376 1.00 0.00 C ATOM 0 H VAL A 38 -7.892 -5.723 2.044 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.793 -4.779 -0.522 1.00 0.00 H new ATOM 0 HB VAL A 38 -7.438 -2.844 -0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.223 -2.186 2.180 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.496 -3.010 1.249 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.627 -3.883 2.533 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.846 -2.754 1.817 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.151 -4.474 2.154 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.389 -3.989 0.620 1.00 0.00 H new ATOM 530 N LYS A 39 -6.652 -4.905 -1.971 1.00 0.00 N ATOM 531 CA LYS A 39 -5.600 -5.309 -2.897 1.00 0.00 C ATOM 532 C LYS A 39 -4.623 -4.164 -3.142 1.00 0.00 C ATOM 533 O LYS A 39 -4.984 -3.141 -3.722 1.00 0.00 O ATOM 534 CB LYS A 39 -6.209 -5.767 -4.224 1.00 0.00 C ATOM 535 CG LYS A 39 -6.923 -7.105 -4.135 1.00 0.00 C ATOM 536 CD LYS A 39 -7.116 -7.726 -5.509 1.00 0.00 C ATOM 537 CE LYS A 39 -8.366 -8.591 -5.558 1.00 0.00 C ATOM 538 NZ LYS A 39 -8.105 -9.971 -5.063 1.00 0.00 N ATOM 0 H LYS A 39 -7.273 -4.180 -2.329 1.00 0.00 H new ATOM 0 HA LYS A 39 -5.054 -6.140 -2.449 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -6.913 -5.011 -4.571 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -5.420 -5.835 -4.972 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -6.348 -7.784 -3.505 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -7.893 -6.970 -3.656 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.188 -6.938 -6.259 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -6.244 -8.329 -5.763 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.150 -8.131 -4.956 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -8.736 -8.636 -6.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.981 -10.529 -5.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.375 -10.419 -5.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.776 -9.930 -4.077 1.00 0.00 H new ATOM 552 N TRP A 40 -3.384 -4.345 -2.699 1.00 0.00 N ATOM 553 CA TRP A 40 -2.354 -3.327 -2.873 1.00 0.00 C ATOM 554 C TRP A 40 -1.589 -3.543 -4.174 1.00 0.00 C ATOM 555 O TRP A 40 -1.119 -4.646 -4.453 1.00 0.00 O ATOM 556 CB TRP A 40 -1.386 -3.344 -1.688 1.00 0.00 C ATOM 557 CG TRP A 40 -2.042 -3.022 -0.380 1.00 0.00 C ATOM 558 CD1 TRP A 40 -2.756 -3.876 0.411 1.00 0.00 C ATOM 559 CD2 TRP A 40 -2.045 -1.756 0.288 1.00 0.00 C ATOM 560 NE1 TRP A 40 -3.203 -3.217 1.530 1.00 0.00 N ATOM 561 CE2 TRP A 40 -2.780 -1.915 1.479 1.00 0.00 C ATOM 562 CE3 TRP A 40 -1.498 -0.503 -0.003 1.00 0.00 C ATOM 563 CZ2 TRP A 40 -2.981 -0.868 2.375 1.00 0.00 C ATOM 564 CZ3 TRP A 40 -1.698 0.534 0.887 1.00 0.00 C ATOM 565 CH2 TRP A 40 -2.434 0.347 2.065 1.00 0.00 C ATOM 0 H TRP A 40 -3.068 -5.187 -2.217 1.00 0.00 H new ATOM 0 HA TRP A 40 -2.844 -2.354 -2.919 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -0.922 -4.328 -1.621 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -0.586 -2.627 -1.871 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -2.942 -4.917 0.189 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -3.760 -3.630 2.278 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -0.929 -0.349 -0.908 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -3.549 -1.010 3.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -1.280 1.506 0.671 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -2.572 1.178 2.741 1.00 0.00 H new ATOM 576 N PHE A 41 -1.467 -2.483 -4.966 1.00 0.00 N ATOM 577 CA PHE A 41 -0.759 -2.558 -6.239 1.00 0.00 C ATOM 578 C PHE A 41 0.350 -1.512 -6.306 1.00 0.00 C ATOM 579 O PHE A 41 0.156 -0.358 -5.922 1.00 0.00 O ATOM 580 CB PHE A 41 -1.734 -2.359 -7.401 1.00 0.00 C ATOM 581 CG PHE A 41 -2.850 -3.364 -7.426 1.00 0.00 C ATOM 582 CD1 PHE A 41 -3.982 -3.180 -6.648 1.00 0.00 C ATOM 583 CD2 PHE A 41 -2.768 -4.491 -8.227 1.00 0.00 C ATOM 584 CE1 PHE A 41 -5.010 -4.104 -6.668 1.00 0.00 C ATOM 585 CE2 PHE A 41 -3.793 -5.418 -8.251 1.00 0.00 C ATOM 586 CZ PHE A 41 -4.916 -5.223 -7.471 1.00 0.00 C ATOM 0 H PHE A 41 -1.849 -1.562 -4.749 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.307 -3.547 -6.318 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.159 -1.357 -7.340 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -1.184 -2.416 -8.340 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -4.062 -2.305 -6.019 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -1.893 -4.647 -8.840 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -5.886 -3.951 -6.056 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -3.716 -6.293 -8.879 1.00 0.00 H new ATOM 0 HZ PHE A 41 -5.719 -5.945 -7.489 1.00 0.00 H new ATOM 596 N LYS A 42 1.514 -1.924 -6.797 1.00 0.00 N ATOM 597 CA LYS A 42 2.656 -1.025 -6.916 1.00 0.00 C ATOM 598 C LYS A 42 2.880 -0.620 -8.370 1.00 0.00 C ATOM 599 O LYS A 42 3.472 -1.366 -9.148 1.00 0.00 O ATOM 600 CB LYS A 42 3.917 -1.692 -6.362 1.00 0.00 C ATOM 601 CG LYS A 42 5.206 -1.051 -6.845 1.00 0.00 C ATOM 602 CD LYS A 42 6.325 -1.215 -5.830 1.00 0.00 C ATOM 603 CE LYS A 42 7.617 -0.577 -6.316 1.00 0.00 C ATOM 604 NZ LYS A 42 8.444 -1.531 -7.106 1.00 0.00 N ATOM 0 H LYS A 42 1.691 -2.875 -7.119 1.00 0.00 H new ATOM 0 HA LYS A 42 2.442 -0.128 -6.335 1.00 0.00 H new ATOM 0 HB2 LYS A 42 3.889 -1.655 -5.273 1.00 0.00 H new ATOM 0 HB3 LYS A 42 3.916 -2.744 -6.646 1.00 0.00 H new ATOM 0 HG2 LYS A 42 5.504 -1.500 -7.792 1.00 0.00 H new ATOM 0 HG3 LYS A 42 5.038 0.009 -7.034 1.00 0.00 H new ATOM 0 HD2 LYS A 42 6.028 -0.763 -4.884 1.00 0.00 H new ATOM 0 HD3 LYS A 42 6.491 -2.275 -5.638 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.384 0.294 -6.928 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.191 -0.221 -5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 9.316 -1.058 -7.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 8.688 -2.351 -6.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 7.906 -1.851 -7.937 1.00 0.00 H new ATOM 618 N ASN A 43 2.403 0.568 -8.729 1.00 0.00 N ATOM 619 CA ASN A 43 2.552 1.072 -10.089 1.00 0.00 C ATOM 620 C ASN A 43 1.663 0.297 -11.057 1.00 0.00 C ATOM 621 O ASN A 43 1.972 0.180 -12.242 1.00 0.00 O ATOM 622 CB ASN A 43 4.013 0.977 -10.533 1.00 0.00 C ATOM 623 CG ASN A 43 4.381 2.047 -11.543 1.00 0.00 C ATOM 624 OD1 ASN A 43 3.677 2.251 -12.532 1.00 0.00 O ATOM 625 ND2 ASN A 43 5.490 2.735 -11.297 1.00 0.00 N ATOM 0 H ASN A 43 1.910 1.199 -8.097 1.00 0.00 H new ATOM 0 HA ASN A 43 2.244 2.117 -10.098 1.00 0.00 H new ATOM 0 HB2 ASN A 43 4.661 1.066 -9.661 1.00 0.00 H new ATOM 0 HB3 ASN A 43 4.195 -0.006 -10.967 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.789 3.467 -11.941 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.042 2.531 -10.464 1.00 0.00 H new ATOM 632 N GLY A 44 0.556 -0.230 -10.543 1.00 0.00 N ATOM 633 CA GLY A 44 -0.362 -0.986 -11.375 1.00 0.00 C ATOM 634 C GLY A 44 -0.195 -2.484 -11.208 1.00 0.00 C ATOM 635 O GLY A 44 -1.114 -3.251 -11.491 1.00 0.00 O ATOM 0 H GLY A 44 0.278 -0.147 -9.565 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -1.386 -0.708 -11.127 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.204 -0.720 -12.420 1.00 0.00 H new ATOM 639 N GLU A 45 0.981 -2.899 -10.750 1.00 0.00 N ATOM 640 CA GLU A 45 1.265 -4.316 -10.549 1.00 0.00 C ATOM 641 C GLU A 45 0.727 -4.793 -9.203 1.00 0.00 C ATOM 642 O GLU A 45 0.699 -4.038 -8.232 1.00 0.00 O ATOM 643 CB GLU A 45 2.771 -4.573 -10.629 1.00 0.00 C ATOM 644 CG GLU A 45 3.353 -4.355 -12.016 1.00 0.00 C ATOM 645 CD GLU A 45 3.387 -2.891 -12.411 1.00 0.00 C ATOM 646 OE1 GLU A 45 4.020 -2.095 -11.686 1.00 0.00 O ATOM 647 OE2 GLU A 45 2.781 -2.543 -13.445 1.00 0.00 O ATOM 0 H GLU A 45 1.752 -2.276 -10.511 1.00 0.00 H new ATOM 0 HA GLU A 45 0.766 -4.876 -11.339 1.00 0.00 H new ATOM 0 HB2 GLU A 45 3.281 -3.917 -9.923 1.00 0.00 H new ATOM 0 HB3 GLU A 45 2.973 -5.597 -10.316 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.364 -4.760 -12.049 1.00 0.00 H new ATOM 0 HG3 GLU A 45 2.763 -4.911 -12.745 1.00 0.00 H new ATOM 654 N GLU A 46 0.301 -6.051 -9.156 1.00 0.00 N ATOM 655 CA GLU A 46 -0.238 -6.629 -7.930 1.00 0.00 C ATOM 656 C GLU A 46 0.885 -7.117 -7.019 1.00 0.00 C ATOM 657 O GLU A 46 1.802 -7.808 -7.464 1.00 0.00 O ATOM 658 CB GLU A 46 -1.183 -7.786 -8.257 1.00 0.00 C ATOM 659 CG GLU A 46 -1.659 -8.549 -7.032 1.00 0.00 C ATOM 660 CD GLU A 46 -3.034 -9.159 -7.223 1.00 0.00 C ATOM 661 OE1 GLU A 46 -3.192 -9.992 -8.140 1.00 0.00 O ATOM 662 OE2 GLU A 46 -3.952 -8.805 -6.454 1.00 0.00 O ATOM 0 H GLU A 46 0.318 -6.689 -9.952 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.795 -5.852 -7.407 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -2.050 -7.396 -8.791 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.677 -8.477 -8.931 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -0.944 -9.339 -6.800 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -1.680 -7.876 -6.175 1.00 0.00 H new ATOM 669 N ILE A 47 0.806 -6.752 -5.744 1.00 0.00 N ATOM 670 CA ILE A 47 1.815 -7.153 -4.772 1.00 0.00 C ATOM 671 C ILE A 47 1.467 -8.498 -4.142 1.00 0.00 C ATOM 672 O ILE A 47 0.315 -8.748 -3.785 1.00 0.00 O ATOM 673 CB ILE A 47 1.971 -6.102 -3.657 1.00 0.00 C ATOM 674 CG1 ILE A 47 2.397 -4.757 -4.250 1.00 0.00 C ATOM 675 CG2 ILE A 47 2.981 -6.574 -2.622 1.00 0.00 C ATOM 676 CD1 ILE A 47 2.561 -3.665 -3.216 1.00 0.00 C ATOM 0 H ILE A 47 0.054 -6.180 -5.360 1.00 0.00 H new ATOM 0 HA ILE A 47 2.757 -7.240 -5.313 1.00 0.00 H new ATOM 0 HB ILE A 47 1.008 -5.972 -3.163 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.339 -4.886 -4.783 1.00 0.00 H new ATOM 0 HG13 ILE A 47 1.656 -4.442 -4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.080 -5.821 -1.841 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.640 -7.511 -2.182 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.948 -6.729 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.864 -2.741 -3.708 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.614 -3.508 -2.700 1.00 0.00 H new ATOM 0 HD13 ILE A 47 3.323 -3.959 -2.494 1.00 0.00 H new ATOM 688 N ILE A 48 2.470 -9.358 -4.006 1.00 0.00 N ATOM 689 CA ILE A 48 2.271 -10.676 -3.416 1.00 0.00 C ATOM 690 C ILE A 48 3.171 -10.876 -2.201 1.00 0.00 C ATOM 691 O ILE A 48 4.299 -11.359 -2.306 1.00 0.00 O ATOM 692 CB ILE A 48 2.548 -11.797 -4.436 1.00 0.00 C ATOM 693 CG1 ILE A 48 1.695 -11.596 -5.691 1.00 0.00 C ATOM 694 CG2 ILE A 48 2.273 -13.158 -3.814 1.00 0.00 C ATOM 695 CD1 ILE A 48 2.322 -10.666 -6.705 1.00 0.00 C ATOM 0 H ILE A 48 3.429 -9.166 -4.296 1.00 0.00 H new ATOM 0 HA ILE A 48 1.228 -10.728 -3.105 1.00 0.00 H new ATOM 0 HB ILE A 48 3.599 -11.756 -4.723 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.518 -12.564 -6.159 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.722 -11.200 -5.400 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.473 -13.940 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 48 2.919 -13.299 -2.947 1.00 0.00 H new ATOM 0 HG23 ILE A 48 1.230 -13.211 -3.502 1.00 0.00 H new ATOM 0 HD11 ILE A 48 1.663 -10.570 -7.568 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.474 -9.685 -6.254 1.00 0.00 H new ATOM 0 HD13 ILE A 48 3.282 -11.071 -7.025 1.00 0.00 H new ATOM 707 N PRO A 49 2.661 -10.499 -1.019 1.00 0.00 N ATOM 708 CA PRO A 49 3.401 -10.630 0.240 1.00 0.00 C ATOM 709 C PRO A 49 3.568 -12.084 0.665 1.00 0.00 C ATOM 710 O PRO A 49 3.114 -12.999 -0.022 1.00 0.00 O ATOM 711 CB PRO A 49 2.526 -9.876 1.245 1.00 0.00 C ATOM 712 CG PRO A 49 1.152 -9.939 0.673 1.00 0.00 C ATOM 713 CD PRO A 49 1.323 -9.917 -0.821 1.00 0.00 C ATOM 0 HA PRO A 49 4.415 -10.239 0.160 1.00 0.00 H new ATOM 0 HB2 PRO A 49 2.566 -10.339 2.231 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.858 -8.845 1.364 1.00 0.00 H new ATOM 0 HG2 PRO A 49 0.637 -10.845 0.993 1.00 0.00 H new ATOM 0 HG3 PRO A 49 0.550 -9.095 1.009 1.00 0.00 H new ATOM 0 HD2 PRO A 49 0.552 -10.502 -1.322 1.00 0.00 H new ATOM 0 HD3 PRO A 49 1.263 -8.904 -1.218 1.00 0.00 H new ATOM 721 N GLY A 50 4.223 -12.292 1.804 1.00 0.00 N ATOM 722 CA GLY A 50 4.438 -13.638 2.301 1.00 0.00 C ATOM 723 C GLY A 50 5.528 -13.700 3.353 1.00 0.00 C ATOM 724 O GLY A 50 6.096 -12.682 3.749 1.00 0.00 O ATOM 0 H GLY A 50 4.608 -11.552 2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 50 3.508 -14.019 2.723 1.00 0.00 H new ATOM 0 HA3 GLY A 50 4.702 -14.291 1.469 1.00 0.00 H new ATOM 775 N ARG A 54 8.851 -8.906 0.594 1.00 0.00 N ATOM 776 CA ARG A 54 9.352 -7.708 1.255 1.00 0.00 C ATOM 777 C ARG A 54 8.202 -6.878 1.820 1.00 0.00 C ATOM 778 O ARG A 54 8.360 -6.182 2.823 1.00 0.00 O ATOM 779 CB ARG A 54 10.171 -6.864 0.277 1.00 0.00 C ATOM 780 CG ARG A 54 11.506 -7.488 -0.096 1.00 0.00 C ATOM 781 CD ARG A 54 11.358 -8.478 -1.241 1.00 0.00 C ATOM 782 NE ARG A 54 11.515 -7.836 -2.543 1.00 0.00 N ATOM 783 CZ ARG A 54 12.678 -7.393 -3.009 1.00 0.00 C ATOM 784 NH1 ARG A 54 13.779 -7.523 -2.282 1.00 0.00 N ATOM 785 NH2 ARG A 54 12.741 -6.820 -4.204 1.00 0.00 N ATOM 0 HA ARG A 54 9.993 -8.020 2.080 1.00 0.00 H new ATOM 0 HB2 ARG A 54 9.588 -6.706 -0.630 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.348 -5.883 0.717 1.00 0.00 H new ATOM 0 HG2 ARG A 54 12.208 -6.704 -0.380 1.00 0.00 H new ATOM 0 HG3 ARG A 54 11.927 -7.995 0.772 1.00 0.00 H new ATOM 0 HD2 ARG A 54 12.101 -9.269 -1.135 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.378 -8.952 -1.186 1.00 0.00 H new ATOM 0 HE ARG A 54 10.687 -7.721 -3.127 1.00 0.00 H new ATOM 0 HH11 ARG A 54 13.734 -7.964 -1.363 1.00 0.00 H new ATOM 0 HH12 ARG A 54 14.671 -7.182 -2.641 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.896 -6.719 -4.766 1.00 0.00 H new ATOM 0 HH22 ARG A 54 13.634 -6.480 -4.560 1.00 0.00 H new ATOM 799 N TYR A 55 7.047 -6.957 1.169 1.00 0.00 N ATOM 800 CA TYR A 55 5.872 -6.211 1.604 1.00 0.00 C ATOM 801 C TYR A 55 5.041 -7.030 2.587 1.00 0.00 C ATOM 802 O TYR A 55 4.946 -8.251 2.470 1.00 0.00 O ATOM 803 CB TYR A 55 5.016 -5.819 0.398 1.00 0.00 C ATOM 804 CG TYR A 55 5.770 -5.032 -0.650 1.00 0.00 C ATOM 805 CD1 TYR A 55 6.592 -5.671 -1.569 1.00 0.00 C ATOM 806 CD2 TYR A 55 5.659 -3.649 -0.721 1.00 0.00 C ATOM 807 CE1 TYR A 55 7.283 -4.956 -2.528 1.00 0.00 C ATOM 808 CE2 TYR A 55 6.345 -2.925 -1.677 1.00 0.00 C ATOM 809 CZ TYR A 55 7.157 -3.583 -2.578 1.00 0.00 C ATOM 810 OH TYR A 55 7.842 -2.867 -3.532 1.00 0.00 O ATOM 0 H TYR A 55 6.899 -7.530 0.338 1.00 0.00 H new ATOM 0 HA TYR A 55 6.213 -5.307 2.109 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.612 -6.722 -0.059 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.167 -5.229 0.742 1.00 0.00 H new ATOM 0 HD1 TYR A 55 6.693 -6.746 -1.533 1.00 0.00 H new ATOM 0 HD2 TYR A 55 5.025 -3.131 -0.017 1.00 0.00 H new ATOM 0 HE1 TYR A 55 7.918 -5.469 -3.235 1.00 0.00 H new ATOM 0 HE2 TYR A 55 6.246 -1.850 -1.719 1.00 0.00 H new ATOM 0 HH TYR A 55 7.643 -1.913 -3.431 1.00 0.00 H new ATOM 820 N ARG A 56 4.442 -6.346 3.557 1.00 0.00 N ATOM 821 CA ARG A 56 3.619 -7.008 4.562 1.00 0.00 C ATOM 822 C ARG A 56 2.292 -6.278 4.745 1.00 0.00 C ATOM 823 O ARG A 56 2.245 -5.190 5.319 1.00 0.00 O ATOM 824 CB ARG A 56 4.364 -7.077 5.897 1.00 0.00 C ATOM 825 CG ARG A 56 5.817 -7.502 5.762 1.00 0.00 C ATOM 826 CD ARG A 56 6.678 -6.898 6.860 1.00 0.00 C ATOM 827 NE ARG A 56 6.091 -7.089 8.184 1.00 0.00 N ATOM 828 CZ ARG A 56 6.640 -6.635 9.304 1.00 0.00 C ATOM 829 NH1 ARG A 56 7.784 -5.966 9.262 1.00 0.00 N ATOM 830 NH2 ARG A 56 6.045 -6.849 10.471 1.00 0.00 N ATOM 0 H ARG A 56 4.511 -5.334 3.668 1.00 0.00 H new ATOM 0 HA ARG A 56 3.412 -8.021 4.216 1.00 0.00 H new ATOM 0 HB2 ARG A 56 4.323 -6.099 6.377 1.00 0.00 H new ATOM 0 HB3 ARG A 56 3.849 -7.777 6.555 1.00 0.00 H new ATOM 0 HG2 ARG A 56 5.884 -8.589 5.802 1.00 0.00 H new ATOM 0 HG3 ARG A 56 6.198 -7.194 4.788 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.669 -7.351 6.834 1.00 0.00 H new ATOM 0 HD3 ARG A 56 6.810 -5.832 6.672 1.00 0.00 H new ATOM 0 HE ARG A 56 5.211 -7.599 8.252 1.00 0.00 H new ATOM 0 HH11 ARG A 56 8.245 -5.799 8.367 1.00 0.00 H new ATOM 0 HH12 ARG A 56 8.203 -5.618 10.124 1.00 0.00 H new ATOM 0 HH21 ARG A 56 5.165 -7.363 10.508 1.00 0.00 H new ATOM 0 HH22 ARG A 56 6.468 -6.500 11.331 1.00 0.00 H new ATOM 844 N ILE A 57 1.217 -6.884 4.253 1.00 0.00 N ATOM 845 CA ILE A 57 -0.111 -6.292 4.363 1.00 0.00 C ATOM 846 C ILE A 57 -0.809 -6.741 5.641 1.00 0.00 C ATOM 847 O ILE A 57 -1.081 -7.927 5.828 1.00 0.00 O ATOM 848 CB ILE A 57 -0.992 -6.657 3.154 1.00 0.00 C ATOM 849 CG1 ILE A 57 -0.337 -6.184 1.855 1.00 0.00 C ATOM 850 CG2 ILE A 57 -2.379 -6.050 3.306 1.00 0.00 C ATOM 851 CD1 ILE A 57 -0.704 -7.023 0.651 1.00 0.00 C ATOM 0 H ILE A 57 1.239 -7.784 3.774 1.00 0.00 H new ATOM 0 HA ILE A 57 0.027 -5.211 4.388 1.00 0.00 H new ATOM 0 HB ILE A 57 -1.094 -7.741 3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.626 -5.150 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 57 0.746 -6.195 1.979 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.990 -6.317 2.443 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.846 -6.432 4.214 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.296 -4.965 3.370 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -0.203 -6.629 -0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -0.390 -8.054 0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -1.783 -6.992 0.501 1.00 0.00 H new ATOM 863 N ARG A 58 -1.098 -5.786 6.518 1.00 0.00 N ATOM 864 CA ARG A 58 -1.766 -6.083 7.780 1.00 0.00 C ATOM 865 C ARG A 58 -3.143 -5.427 7.834 1.00 0.00 C ATOM 866 O ARG A 58 -3.404 -4.449 7.133 1.00 0.00 O ATOM 867 CB ARG A 58 -0.914 -5.605 8.957 1.00 0.00 C ATOM 868 CG ARG A 58 -1.591 -5.776 10.308 1.00 0.00 C ATOM 869 CD ARG A 58 -0.736 -5.217 11.434 1.00 0.00 C ATOM 870 NE ARG A 58 0.397 -6.085 11.743 1.00 0.00 N ATOM 871 CZ ARG A 58 1.557 -6.037 11.098 1.00 0.00 C ATOM 872 NH1 ARG A 58 1.736 -5.168 10.113 1.00 0.00 N ATOM 873 NH2 ARG A 58 2.541 -6.860 11.438 1.00 0.00 N ATOM 0 H ARG A 58 -0.880 -4.799 6.378 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.895 -7.163 7.849 1.00 0.00 H new ATOM 0 HB2 ARG A 58 0.028 -6.154 8.960 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.669 -4.553 8.813 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.557 -5.272 10.298 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.785 -6.833 10.488 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.370 -4.229 11.155 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.349 -5.090 12.326 1.00 0.00 H new ATOM 0 HE ARG A 58 0.292 -6.765 12.495 1.00 0.00 H new ATOM 0 HH11 ARG A 58 0.982 -4.534 9.849 1.00 0.00 H new ATOM 0 HH12 ARG A 58 2.628 -5.133 9.619 1.00 0.00 H new ATOM 0 HH21 ARG A 58 2.407 -7.530 12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 58 3.432 -6.822 10.942 1.00 0.00 H new ATOM 887 N VAL A 59 -4.020 -5.971 8.671 1.00 0.00 N ATOM 888 CA VAL A 59 -5.369 -5.439 8.818 1.00 0.00 C ATOM 889 C VAL A 59 -5.698 -5.172 10.283 1.00 0.00 C ATOM 890 O VAL A 59 -5.585 -6.060 11.126 1.00 0.00 O ATOM 891 CB VAL A 59 -6.419 -6.403 8.235 1.00 0.00 C ATOM 892 CG1 VAL A 59 -7.823 -5.858 8.451 1.00 0.00 C ATOM 893 CG2 VAL A 59 -6.155 -6.647 6.757 1.00 0.00 C ATOM 0 H VAL A 59 -3.820 -6.781 9.258 1.00 0.00 H new ATOM 0 HA VAL A 59 -5.401 -4.501 8.264 1.00 0.00 H new ATOM 0 HB VAL A 59 -6.341 -7.357 8.757 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -8.551 -6.553 8.032 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -8.007 -5.739 9.519 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -7.918 -4.891 7.957 1.00 0.00 H new ATOM 0 HG21 VAL A 59 -6.906 -7.330 6.361 1.00 0.00 H new ATOM 0 HG22 VAL A 59 -6.205 -5.701 6.218 1.00 0.00 H new ATOM 0 HG23 VAL A 59 -5.165 -7.085 6.632 1.00 0.00 H new ATOM 903 N GLU A 60 -6.107 -3.941 10.577 1.00 0.00 N ATOM 904 CA GLU A 60 -6.453 -3.558 11.940 1.00 0.00 C ATOM 905 C GLU A 60 -7.869 -2.993 12.004 1.00 0.00 C ATOM 906 O GLU A 60 -8.111 -1.851 11.616 1.00 0.00 O ATOM 907 CB GLU A 60 -5.456 -2.526 12.472 1.00 0.00 C ATOM 908 CG GLU A 60 -4.252 -3.143 13.164 1.00 0.00 C ATOM 909 CD GLU A 60 -3.406 -3.981 12.225 1.00 0.00 C ATOM 910 OE1 GLU A 60 -2.603 -3.398 11.467 1.00 0.00 O ATOM 911 OE2 GLU A 60 -3.547 -5.222 12.249 1.00 0.00 O ATOM 0 H GLU A 60 -6.206 -3.194 9.890 1.00 0.00 H new ATOM 0 HA GLU A 60 -6.408 -4.451 12.563 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.111 -1.907 11.644 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.968 -1.866 13.172 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.638 -2.351 13.591 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.592 -3.764 13.992 1.00 0.00 H new ATOM 918 N GLY A 61 -8.801 -3.802 12.497 1.00 0.00 N ATOM 919 CA GLY A 61 -10.181 -3.367 12.603 1.00 0.00 C ATOM 920 C GLY A 61 -10.763 -2.954 11.265 1.00 0.00 C ATOM 921 O GLY A 61 -11.096 -3.801 10.436 1.00 0.00 O ATOM 0 H GLY A 61 -8.625 -4.752 12.825 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -10.782 -4.173 13.024 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -10.242 -2.529 13.297 1.00 0.00 H new ATOM 925 N LYS A 62 -10.888 -1.648 11.053 1.00 0.00 N ATOM 926 CA LYS A 62 -11.433 -1.123 9.807 1.00 0.00 C ATOM 927 C LYS A 62 -10.386 -0.307 9.056 1.00 0.00 C ATOM 928 O LYS A 62 -10.710 0.430 8.124 1.00 0.00 O ATOM 929 CB LYS A 62 -12.663 -0.258 10.090 1.00 0.00 C ATOM 930 CG LYS A 62 -13.776 -0.999 10.812 1.00 0.00 C ATOM 931 CD LYS A 62 -14.844 -0.045 11.319 1.00 0.00 C ATOM 932 CE LYS A 62 -15.902 0.223 10.260 1.00 0.00 C ATOM 933 NZ LYS A 62 -17.139 0.807 10.847 1.00 0.00 N ATOM 0 H LYS A 62 -10.619 -0.933 11.729 1.00 0.00 H new ATOM 0 HA LYS A 62 -11.726 -1.967 9.183 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -12.362 0.601 10.689 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -13.048 0.130 9.147 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -14.227 -1.726 10.137 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -13.359 -1.558 11.650 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -15.316 -0.465 12.208 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -14.381 0.895 11.618 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -15.500 0.903 9.509 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -16.147 -0.708 9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -17.835 0.975 10.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -17.537 0.147 11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -16.910 1.708 11.314 1.00 0.00 H new ATOM 947 N LYS A 63 -9.130 -0.444 9.466 1.00 0.00 N ATOM 948 CA LYS A 63 -8.034 0.278 8.830 1.00 0.00 C ATOM 949 C LYS A 63 -6.882 -0.665 8.499 1.00 0.00 C ATOM 950 O LYS A 63 -6.479 -1.484 9.325 1.00 0.00 O ATOM 951 CB LYS A 63 -7.541 1.403 9.742 1.00 0.00 C ATOM 952 CG LYS A 63 -6.502 0.954 10.755 1.00 0.00 C ATOM 953 CD LYS A 63 -6.528 1.821 12.003 1.00 0.00 C ATOM 954 CE LYS A 63 -7.713 1.482 12.893 1.00 0.00 C ATOM 955 NZ LYS A 63 -7.752 2.335 14.113 1.00 0.00 N ATOM 0 H LYS A 63 -8.845 -1.049 10.236 1.00 0.00 H new ATOM 0 HA LYS A 63 -8.406 0.709 7.900 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -7.118 2.198 9.128 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -8.393 1.829 10.272 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -6.685 -0.085 11.029 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -5.511 0.995 10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -5.602 1.685 12.561 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -6.576 2.872 11.716 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -8.638 1.610 12.331 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -7.660 0.433 13.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -8.574 2.073 14.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -6.881 2.194 14.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -7.828 3.334 13.836 1.00 0.00 H new ATOM 969 N HIS A 64 -6.353 -0.542 7.285 1.00 0.00 N ATOM 970 CA HIS A 64 -5.244 -1.382 6.846 1.00 0.00 C ATOM 971 C HIS A 64 -3.920 -0.631 6.947 1.00 0.00 C ATOM 972 O HIS A 64 -3.898 0.596 7.043 1.00 0.00 O ATOM 973 CB HIS A 64 -5.470 -1.850 5.408 1.00 0.00 C ATOM 974 CG HIS A 64 -6.586 -2.839 5.268 1.00 0.00 C ATOM 975 ND1 HIS A 64 -6.398 -4.126 4.811 1.00 0.00 N ATOM 976 CD2 HIS A 64 -7.909 -2.723 5.530 1.00 0.00 C ATOM 977 CE1 HIS A 64 -7.558 -4.759 4.796 1.00 0.00 C ATOM 978 NE2 HIS A 64 -8.491 -3.930 5.228 1.00 0.00 N ATOM 0 H HIS A 64 -6.674 0.131 6.589 1.00 0.00 H new ATOM 0 HA HIS A 64 -5.198 -2.252 7.501 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -5.683 -0.983 4.782 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -4.550 -2.297 5.031 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -8.413 -1.845 5.906 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -7.716 -5.781 4.484 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -9.482 -4.150 5.322 1.00 0.00 H new ATOM 987 N ILE A 65 -2.820 -1.376 6.925 1.00 0.00 N ATOM 988 CA ILE A 65 -1.493 -0.780 7.014 1.00 0.00 C ATOM 989 C ILE A 65 -0.482 -1.562 6.183 1.00 0.00 C ATOM 990 O ILE A 65 -0.210 -2.732 6.456 1.00 0.00 O ATOM 991 CB ILE A 65 -1.001 -0.715 8.472 1.00 0.00 C ATOM 992 CG1 ILE A 65 -1.928 0.171 9.308 1.00 0.00 C ATOM 993 CG2 ILE A 65 0.428 -0.196 8.527 1.00 0.00 C ATOM 994 CD1 ILE A 65 -3.061 -0.588 9.963 1.00 0.00 C ATOM 0 H ILE A 65 -2.822 -2.393 6.846 1.00 0.00 H new ATOM 0 HA ILE A 65 -1.576 0.234 6.622 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.017 -1.722 8.890 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.342 0.670 10.080 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -2.345 0.951 8.670 1.00 0.00 H new ATOM 0 HG21 ILE A 65 0.761 -0.156 9.564 1.00 0.00 H new ATOM 0 HG22 ILE A 65 1.079 -0.863 7.962 1.00 0.00 H new ATOM 0 HG23 ILE A 65 0.469 0.803 8.094 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.677 0.103 10.539 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.671 -1.065 9.196 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.653 -1.350 10.627 1.00 0.00 H new ATOM 1006 N LEU A 66 0.073 -0.908 5.168 1.00 0.00 N ATOM 1007 CA LEU A 66 1.057 -1.542 4.297 1.00 0.00 C ATOM 1008 C LEU A 66 2.470 -1.092 4.653 1.00 0.00 C ATOM 1009 O LEU A 66 2.853 0.049 4.394 1.00 0.00 O ATOM 1010 CB LEU A 66 0.758 -1.211 2.833 1.00 0.00 C ATOM 1011 CG LEU A 66 1.727 -1.792 1.803 1.00 0.00 C ATOM 1012 CD1 LEU A 66 1.567 -3.302 1.711 1.00 0.00 C ATOM 1013 CD2 LEU A 66 1.509 -1.147 0.442 1.00 0.00 C ATOM 0 H LEU A 66 -0.141 0.060 4.928 1.00 0.00 H new ATOM 0 HA LEU A 66 0.992 -2.621 4.441 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -0.246 -1.566 2.599 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.747 -0.127 2.721 1.00 0.00 H new ATOM 0 HG LEU A 66 2.745 -1.574 2.127 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.265 -3.698 0.973 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.774 -3.750 2.683 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.547 -3.542 1.411 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.207 -1.573 -0.278 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.487 -1.333 0.111 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.676 -0.073 0.518 1.00 0.00 H new ATOM 1025 N ILE A 67 3.241 -1.997 5.247 1.00 0.00 N ATOM 1026 CA ILE A 67 4.612 -1.694 5.636 1.00 0.00 C ATOM 1027 C ILE A 67 5.604 -2.202 4.595 1.00 0.00 C ATOM 1028 O ILE A 67 5.505 -3.339 4.132 1.00 0.00 O ATOM 1029 CB ILE A 67 4.960 -2.312 7.003 1.00 0.00 C ATOM 1030 CG1 ILE A 67 6.419 -2.024 7.362 1.00 0.00 C ATOM 1031 CG2 ILE A 67 4.698 -3.811 6.989 1.00 0.00 C ATOM 1032 CD1 ILE A 67 7.395 -3.012 6.762 1.00 0.00 C ATOM 0 H ILE A 67 2.939 -2.946 5.469 1.00 0.00 H new ATOM 0 HA ILE A 67 4.686 -0.609 5.707 1.00 0.00 H new ATOM 0 HB ILE A 67 4.323 -1.858 7.762 1.00 0.00 H new ATOM 0 HG12 ILE A 67 6.677 -1.020 7.024 1.00 0.00 H new ATOM 0 HG13 ILE A 67 6.526 -2.033 8.447 1.00 0.00 H new ATOM 0 HG21 ILE A 67 4.949 -4.233 7.962 1.00 0.00 H new ATOM 0 HG22 ILE A 67 3.645 -3.994 6.774 1.00 0.00 H new ATOM 0 HG23 ILE A 67 5.312 -4.281 6.221 1.00 0.00 H new ATOM 0 HD11 ILE A 67 8.410 -2.746 7.058 1.00 0.00 H new ATOM 0 HD12 ILE A 67 7.163 -4.015 7.120 1.00 0.00 H new ATOM 0 HD13 ILE A 67 7.316 -2.987 5.675 1.00 0.00 H new ATOM 1044 N ILE A 68 6.559 -1.353 4.232 1.00 0.00 N ATOM 1045 CA ILE A 68 7.571 -1.717 3.248 1.00 0.00 C ATOM 1046 C ILE A 68 8.962 -1.742 3.872 1.00 0.00 C ATOM 1047 O ILE A 68 9.529 -0.698 4.190 1.00 0.00 O ATOM 1048 CB ILE A 68 7.573 -0.741 2.056 1.00 0.00 C ATOM 1049 CG1 ILE A 68 6.141 -0.455 1.601 1.00 0.00 C ATOM 1050 CG2 ILE A 68 8.396 -1.308 0.909 1.00 0.00 C ATOM 1051 CD1 ILE A 68 6.041 0.665 0.588 1.00 0.00 C ATOM 0 H ILE A 68 6.653 -0.408 4.604 1.00 0.00 H new ATOM 0 HA ILE A 68 7.318 -2.715 2.890 1.00 0.00 H new ATOM 0 HB ILE A 68 8.027 0.197 2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 68 5.717 -1.362 1.171 1.00 0.00 H new ATOM 0 HG13 ILE A 68 5.535 -0.202 2.471 1.00 0.00 H new ATOM 0 HG21 ILE A 68 8.388 -0.607 0.074 1.00 0.00 H new ATOM 0 HG22 ILE A 68 9.422 -1.466 1.241 1.00 0.00 H new ATOM 0 HG23 ILE A 68 7.968 -2.258 0.589 1.00 0.00 H new ATOM 0 HD11 ILE A 68 4.997 0.813 0.311 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.435 1.584 1.022 1.00 0.00 H new ATOM 0 HD13 ILE A 68 6.619 0.406 -0.299 1.00 0.00 H new ATOM 1063 N GLU A 69 9.506 -2.943 4.044 1.00 0.00 N ATOM 1064 CA GLU A 69 10.831 -3.104 4.629 1.00 0.00 C ATOM 1065 C GLU A 69 11.919 -2.733 3.625 1.00 0.00 C ATOM 1066 O GLU A 69 12.130 -3.432 2.635 1.00 0.00 O ATOM 1067 CB GLU A 69 11.032 -4.544 5.105 1.00 0.00 C ATOM 1068 CG GLU A 69 10.521 -4.797 6.514 1.00 0.00 C ATOM 1069 CD GLU A 69 10.290 -6.268 6.796 1.00 0.00 C ATOM 1070 OE1 GLU A 69 9.750 -6.965 5.911 1.00 0.00 O ATOM 1071 OE2 GLU A 69 10.649 -6.724 7.902 1.00 0.00 O ATOM 0 H GLU A 69 9.049 -3.818 3.786 1.00 0.00 H new ATOM 0 HA GLU A 69 10.905 -2.432 5.484 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.524 -5.219 4.417 1.00 0.00 H new ATOM 0 HB3 GLU A 69 12.094 -4.786 5.064 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.239 -4.402 7.233 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.589 -4.252 6.661 1.00 0.00 H new ATOM 1078 N GLY A 70 12.606 -1.625 3.888 1.00 0.00 N ATOM 1079 CA GLY A 70 13.662 -1.179 2.999 1.00 0.00 C ATOM 1080 C GLY A 70 13.128 -0.425 1.797 1.00 0.00 C ATOM 1081 O GLY A 70 12.957 -0.998 0.722 1.00 0.00 O ATOM 0 H GLY A 70 12.450 -1.029 4.701 1.00 0.00 H new ATOM 0 HA2 GLY A 70 14.350 -0.538 3.550 1.00 0.00 H new ATOM 0 HA3 GLY A 70 14.234 -2.042 2.658 1.00 0.00 H new ATOM 1085 N ALA A 71 12.863 0.865 1.980 1.00 0.00 N ATOM 1086 CA ALA A 71 12.346 1.698 0.902 1.00 0.00 C ATOM 1087 C ALA A 71 13.481 2.347 0.117 1.00 0.00 C ATOM 1088 O ALA A 71 14.121 3.286 0.591 1.00 0.00 O ATOM 1089 CB ALA A 71 11.411 2.762 1.459 1.00 0.00 C ATOM 0 H ALA A 71 12.998 1.355 2.864 1.00 0.00 H new ATOM 0 HA ALA A 71 11.786 1.059 0.219 1.00 0.00 H new ATOM 0 HB1 ALA A 71 11.032 3.377 0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 71 10.576 2.282 1.969 1.00 0.00 H new ATOM 0 HB3 ALA A 71 11.954 3.390 2.165 1.00 0.00 H new ATOM 1095 N THR A 72 13.727 1.841 -1.088 1.00 0.00 N ATOM 1096 CA THR A 72 14.786 2.370 -1.938 1.00 0.00 C ATOM 1097 C THR A 72 14.215 3.248 -3.045 1.00 0.00 C ATOM 1098 O THR A 72 13.058 3.095 -3.440 1.00 0.00 O ATOM 1099 CB THR A 72 15.615 1.238 -2.572 1.00 0.00 C ATOM 1100 OG1 THR A 72 15.635 0.099 -1.704 1.00 0.00 O ATOM 1101 CG2 THR A 72 17.039 1.698 -2.846 1.00 0.00 C ATOM 0 H THR A 72 13.206 1.065 -1.497 1.00 0.00 H new ATOM 0 HA THR A 72 15.434 2.971 -1.299 1.00 0.00 H new ATOM 0 HB THR A 72 15.150 0.964 -3.519 1.00 0.00 H new ATOM 0 HG1 THR A 72 16.163 -0.617 -2.116 1.00 0.00 H new ATOM 0 HG21 THR A 72 17.605 0.881 -3.294 1.00 0.00 H new ATOM 0 HG22 THR A 72 17.022 2.546 -3.531 1.00 0.00 H new ATOM 0 HG23 THR A 72 17.511 1.997 -1.910 1.00 0.00 H new ATOM 1109 N LYS A 73 15.032 4.169 -3.545 1.00 0.00 N ATOM 1110 CA LYS A 73 14.610 5.072 -4.609 1.00 0.00 C ATOM 1111 C LYS A 73 13.649 4.373 -5.565 1.00 0.00 C ATOM 1112 O LYS A 73 12.623 4.934 -5.950 1.00 0.00 O ATOM 1113 CB LYS A 73 15.826 5.590 -5.379 1.00 0.00 C ATOM 1114 CG LYS A 73 16.815 6.351 -4.514 1.00 0.00 C ATOM 1115 CD LYS A 73 16.314 7.749 -4.192 1.00 0.00 C ATOM 1116 CE LYS A 73 16.756 8.755 -5.245 1.00 0.00 C ATOM 1117 NZ LYS A 73 15.965 8.627 -6.500 1.00 0.00 N ATOM 0 H LYS A 73 15.992 4.310 -3.230 1.00 0.00 H new ATOM 0 HA LYS A 73 14.092 5.915 -4.152 1.00 0.00 H new ATOM 0 HB2 LYS A 73 16.337 4.747 -5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 73 15.485 6.240 -6.185 1.00 0.00 H new ATOM 0 HG2 LYS A 73 16.987 5.803 -3.588 1.00 0.00 H new ATOM 0 HG3 LYS A 73 17.774 6.417 -5.028 1.00 0.00 H new ATOM 0 HD2 LYS A 73 15.226 7.741 -4.128 1.00 0.00 H new ATOM 0 HD3 LYS A 73 16.688 8.055 -3.215 1.00 0.00 H new ATOM 0 HE2 LYS A 73 16.649 9.765 -4.850 1.00 0.00 H new ATOM 0 HE3 LYS A 73 17.813 8.609 -5.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 15.944 9.543 -6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 16.404 7.913 -7.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 14.994 8.336 -6.270 1.00 0.00 H new ATOM 1131 N ALA A 74 13.987 3.145 -5.945 1.00 0.00 N ATOM 1132 CA ALA A 74 13.153 2.369 -6.854 1.00 0.00 C ATOM 1133 C ALA A 74 11.724 2.264 -6.332 1.00 0.00 C ATOM 1134 O ALA A 74 10.765 2.482 -7.073 1.00 0.00 O ATOM 1135 CB ALA A 74 13.745 0.983 -7.060 1.00 0.00 C ATOM 0 H ALA A 74 14.833 2.666 -5.637 1.00 0.00 H new ATOM 0 HA ALA A 74 13.125 2.886 -7.813 1.00 0.00 H new ATOM 0 HB1 ALA A 74 13.112 0.414 -7.741 1.00 0.00 H new ATOM 0 HB2 ALA A 74 14.745 1.074 -7.485 1.00 0.00 H new ATOM 0 HB3 ALA A 74 13.803 0.466 -6.102 1.00 0.00 H new ATOM 1141 N ASP A 75 11.589 1.930 -5.054 1.00 0.00 N ATOM 1142 CA ASP A 75 10.276 1.796 -4.433 1.00 0.00 C ATOM 1143 C ASP A 75 9.384 2.983 -4.787 1.00 0.00 C ATOM 1144 O ASP A 75 8.177 2.832 -4.968 1.00 0.00 O ATOM 1145 CB ASP A 75 10.416 1.682 -2.914 1.00 0.00 C ATOM 1146 CG ASP A 75 10.504 3.036 -2.238 1.00 0.00 C ATOM 1147 OD1 ASP A 75 9.556 3.836 -2.385 1.00 0.00 O ATOM 1148 OD2 ASP A 75 11.520 3.295 -1.560 1.00 0.00 O ATOM 0 H ASP A 75 12.373 1.747 -4.427 1.00 0.00 H new ATOM 0 HA ASP A 75 9.811 0.888 -4.816 1.00 0.00 H new ATOM 0 HB2 ASP A 75 9.563 1.134 -2.513 1.00 0.00 H new ATOM 0 HB3 ASP A 75 11.308 1.102 -2.677 1.00 0.00 H new ATOM 1153 N ALA A 76 9.988 4.162 -4.882 1.00 0.00 N ATOM 1154 CA ALA A 76 9.250 5.374 -5.215 1.00 0.00 C ATOM 1155 C ALA A 76 8.311 5.139 -6.393 1.00 0.00 C ATOM 1156 O ALA A 76 8.697 5.305 -7.549 1.00 0.00 O ATOM 1157 CB ALA A 76 10.213 6.511 -5.524 1.00 0.00 C ATOM 0 H ALA A 76 10.987 4.304 -4.733 1.00 0.00 H new ATOM 0 HA ALA A 76 8.645 5.650 -4.351 1.00 0.00 H new ATOM 0 HB1 ALA A 76 9.648 7.410 -5.771 1.00 0.00 H new ATOM 0 HB2 ALA A 76 10.839 6.704 -4.653 1.00 0.00 H new ATOM 0 HB3 ALA A 76 10.843 6.235 -6.370 1.00 0.00 H new ATOM 1163 N ALA A 77 7.076 4.750 -6.090 1.00 0.00 N ATOM 1164 CA ALA A 77 6.082 4.493 -7.125 1.00 0.00 C ATOM 1165 C ALA A 77 4.677 4.820 -6.629 1.00 0.00 C ATOM 1166 O ALA A 77 4.462 5.021 -5.434 1.00 0.00 O ATOM 1167 CB ALA A 77 6.158 3.044 -7.582 1.00 0.00 C ATOM 0 H ALA A 77 6.741 4.606 -5.137 1.00 0.00 H new ATOM 0 HA ALA A 77 6.301 5.142 -7.973 1.00 0.00 H new ATOM 0 HB1 ALA A 77 5.410 2.867 -8.355 1.00 0.00 H new ATOM 0 HB2 ALA A 77 7.151 2.841 -7.984 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.968 2.385 -6.735 1.00 0.00 H new ATOM 1173 N GLU A 78 3.725 4.871 -7.555 1.00 0.00 N ATOM 1174 CA GLU A 78 2.341 5.176 -7.211 1.00 0.00 C ATOM 1175 C GLU A 78 1.641 3.949 -6.633 1.00 0.00 C ATOM 1176 O GLU A 78 1.255 3.038 -7.366 1.00 0.00 O ATOM 1177 CB GLU A 78 1.583 5.675 -8.443 1.00 0.00 C ATOM 1178 CG GLU A 78 0.095 5.869 -8.205 1.00 0.00 C ATOM 1179 CD GLU A 78 -0.638 6.337 -9.447 1.00 0.00 C ATOM 1180 OE1 GLU A 78 -0.734 5.548 -10.411 1.00 0.00 O ATOM 1181 OE2 GLU A 78 -1.116 7.490 -9.456 1.00 0.00 O ATOM 0 H GLU A 78 3.886 4.705 -8.548 1.00 0.00 H new ATOM 0 HA GLU A 78 2.347 5.961 -6.454 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.017 6.621 -8.768 1.00 0.00 H new ATOM 0 HB3 GLU A 78 1.722 4.964 -9.258 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -0.340 4.930 -7.863 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -0.050 6.597 -7.406 1.00 0.00 H new ATOM 1188 N TYR A 79 1.483 3.931 -5.314 1.00 0.00 N ATOM 1189 CA TYR A 79 0.834 2.816 -4.637 1.00 0.00 C ATOM 1190 C TYR A 79 -0.679 3.006 -4.601 1.00 0.00 C ATOM 1191 O TYR A 79 -1.187 3.915 -3.944 1.00 0.00 O ATOM 1192 CB TYR A 79 1.374 2.671 -3.213 1.00 0.00 C ATOM 1193 CG TYR A 79 2.798 2.165 -3.154 1.00 0.00 C ATOM 1194 CD1 TYR A 79 3.871 3.028 -3.340 1.00 0.00 C ATOM 1195 CD2 TYR A 79 3.070 0.824 -2.914 1.00 0.00 C ATOM 1196 CE1 TYR A 79 5.173 2.570 -3.287 1.00 0.00 C ATOM 1197 CE2 TYR A 79 4.369 0.357 -2.859 1.00 0.00 C ATOM 1198 CZ TYR A 79 5.417 1.234 -3.046 1.00 0.00 C ATOM 1199 OH TYR A 79 6.713 0.773 -2.993 1.00 0.00 O ATOM 0 H TYR A 79 1.796 4.677 -4.693 1.00 0.00 H new ATOM 0 HA TYR A 79 1.055 1.907 -5.197 1.00 0.00 H new ATOM 0 HB2 TYR A 79 1.320 3.638 -2.713 1.00 0.00 H new ATOM 0 HB3 TYR A 79 0.731 1.988 -2.657 1.00 0.00 H new ATOM 0 HD1 TYR A 79 3.684 4.075 -3.529 1.00 0.00 H new ATOM 0 HD2 TYR A 79 2.252 0.135 -2.768 1.00 0.00 H new ATOM 0 HE1 TYR A 79 5.996 3.254 -3.433 1.00 0.00 H new ATOM 0 HE2 TYR A 79 4.563 -0.689 -2.671 1.00 0.00 H new ATOM 0 HH TYR A 79 7.281 1.327 -3.568 1.00 0.00 H new ATOM 1209 N SER A 80 -1.395 2.141 -5.313 1.00 0.00 N ATOM 1210 CA SER A 80 -2.850 2.215 -5.367 1.00 0.00 C ATOM 1211 C SER A 80 -3.478 0.914 -4.876 1.00 0.00 C ATOM 1212 O SER A 80 -3.036 -0.177 -5.236 1.00 0.00 O ATOM 1213 CB SER A 80 -3.315 2.512 -6.794 1.00 0.00 C ATOM 1214 OG SER A 80 -2.783 3.741 -7.257 1.00 0.00 O ATOM 0 H SER A 80 -0.991 1.381 -5.860 1.00 0.00 H new ATOM 0 HA SER A 80 -3.172 3.024 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 80 -3.004 1.705 -7.457 1.00 0.00 H new ATOM 0 HB3 SER A 80 -4.404 2.548 -6.825 1.00 0.00 H new ATOM 0 HG SER A 80 -3.093 3.908 -8.172 1.00 0.00 H new ATOM 1220 N VAL A 81 -4.514 1.038 -4.052 1.00 0.00 N ATOM 1221 CA VAL A 81 -5.205 -0.127 -3.512 1.00 0.00 C ATOM 1222 C VAL A 81 -6.494 -0.405 -4.278 1.00 0.00 C ATOM 1223 O VAL A 81 -6.978 0.442 -5.027 1.00 0.00 O ATOM 1224 CB VAL A 81 -5.537 0.060 -2.020 1.00 0.00 C ATOM 1225 CG1 VAL A 81 -4.390 0.752 -1.300 1.00 0.00 C ATOM 1226 CG2 VAL A 81 -6.831 0.843 -1.856 1.00 0.00 C ATOM 0 H VAL A 81 -4.893 1.933 -3.744 1.00 0.00 H new ATOM 0 HA VAL A 81 -4.530 -0.976 -3.623 1.00 0.00 H new ATOM 0 HB VAL A 81 -5.675 -0.923 -1.571 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -4.643 0.875 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.487 0.147 -1.388 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.216 1.730 -1.748 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -7.050 0.966 -0.795 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -6.724 1.823 -2.320 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -7.647 0.302 -2.335 1.00 0.00 H new ATOM 1236 N MET A 82 -7.045 -1.599 -4.083 1.00 0.00 N ATOM 1237 CA MET A 82 -8.279 -1.989 -4.754 1.00 0.00 C ATOM 1238 C MET A 82 -9.125 -2.888 -3.858 1.00 0.00 C ATOM 1239 O MET A 82 -8.723 -4.003 -3.523 1.00 0.00 O ATOM 1240 CB MET A 82 -7.966 -2.708 -6.068 1.00 0.00 C ATOM 1241 CG MET A 82 -9.032 -2.516 -7.135 1.00 0.00 C ATOM 1242 SD MET A 82 -9.078 -3.873 -8.322 1.00 0.00 S ATOM 1243 CE MET A 82 -7.984 -3.247 -9.594 1.00 0.00 C ATOM 0 H MET A 82 -6.656 -2.312 -3.466 1.00 0.00 H new ATOM 0 HA MET A 82 -8.847 -1.084 -4.970 1.00 0.00 H new ATOM 0 HB2 MET A 82 -7.011 -2.348 -6.451 1.00 0.00 H new ATOM 0 HB3 MET A 82 -7.849 -3.774 -5.871 1.00 0.00 H new ATOM 0 HG2 MET A 82 -10.007 -2.424 -6.657 1.00 0.00 H new ATOM 0 HG3 MET A 82 -8.847 -1.581 -7.664 1.00 0.00 H new ATOM 0 HE1 MET A 82 -7.909 -3.976 -10.401 1.00 0.00 H new ATOM 0 HE2 MET A 82 -8.381 -2.311 -9.987 1.00 0.00 H new ATOM 0 HE3 MET A 82 -6.995 -3.072 -9.170 1.00 0.00 H new ATOM 1253 N THR A 83 -10.299 -2.397 -3.472 1.00 0.00 N ATOM 1254 CA THR A 83 -11.200 -3.155 -2.614 1.00 0.00 C ATOM 1255 C THR A 83 -12.334 -3.777 -3.421 1.00 0.00 C ATOM 1256 O THR A 83 -12.358 -3.688 -4.649 1.00 0.00 O ATOM 1257 CB THR A 83 -11.799 -2.269 -1.506 1.00 0.00 C ATOM 1258 OG1 THR A 83 -12.551 -1.198 -2.088 1.00 0.00 O ATOM 1259 CG2 THR A 83 -10.703 -1.701 -0.616 1.00 0.00 C ATOM 0 H THR A 83 -10.648 -1.477 -3.741 1.00 0.00 H new ATOM 0 HA THR A 83 -10.608 -3.947 -2.155 1.00 0.00 H new ATOM 0 HB THR A 83 -12.459 -2.885 -0.895 1.00 0.00 H new ATOM 0 HG1 THR A 83 -13.481 -1.248 -1.783 1.00 0.00 H new ATOM 0 HG21 THR A 83 -11.150 -1.079 0.159 1.00 0.00 H new ATOM 0 HG22 THR A 83 -10.151 -2.518 -0.152 1.00 0.00 H new ATOM 0 HG23 THR A 83 -10.022 -1.099 -1.217 1.00 0.00 H new ATOM 1267 N THR A 84 -13.275 -4.406 -2.723 1.00 0.00 N ATOM 1268 CA THR A 84 -14.412 -5.042 -3.374 1.00 0.00 C ATOM 1269 C THR A 84 -15.193 -4.042 -4.219 1.00 0.00 C ATOM 1270 O THR A 84 -15.777 -4.400 -5.241 1.00 0.00 O ATOM 1271 CB THR A 84 -15.364 -5.681 -2.345 1.00 0.00 C ATOM 1272 OG1 THR A 84 -15.978 -4.663 -1.548 1.00 0.00 O ATOM 1273 CG2 THR A 84 -14.615 -6.653 -1.446 1.00 0.00 C ATOM 0 H THR A 84 -13.271 -4.488 -1.706 1.00 0.00 H new ATOM 0 HA THR A 84 -14.009 -5.823 -4.020 1.00 0.00 H new ATOM 0 HB THR A 84 -16.133 -6.231 -2.887 1.00 0.00 H new ATOM 0 HG1 THR A 84 -16.911 -4.904 -1.371 1.00 0.00 H new ATOM 0 HG21 THR A 84 -15.308 -7.092 -0.728 1.00 0.00 H new ATOM 0 HG22 THR A 84 -14.173 -7.443 -2.053 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.827 -6.122 -0.912 1.00 0.00 H new ATOM 1281 N GLY A 85 -15.198 -2.785 -3.785 1.00 0.00 N ATOM 1282 CA GLY A 85 -15.911 -1.752 -4.514 1.00 0.00 C ATOM 1283 C GLY A 85 -15.302 -0.378 -4.316 1.00 0.00 C ATOM 1284 O GLY A 85 -16.015 0.624 -4.270 1.00 0.00 O ATOM 0 H GLY A 85 -14.721 -2.464 -2.942 1.00 0.00 H new ATOM 0 HA2 GLY A 85 -15.912 -1.996 -5.576 1.00 0.00 H new ATOM 0 HA3 GLY A 85 -16.952 -1.735 -4.190 1.00 0.00 H new ATOM 1288 N GLY A 86 -13.979 -0.330 -4.195 1.00 0.00 N ATOM 1289 CA GLY A 86 -13.297 0.936 -4.000 1.00 0.00 C ATOM 1290 C GLY A 86 -11.857 0.898 -4.471 1.00 0.00 C ATOM 1291 O GLY A 86 -11.309 -0.174 -4.726 1.00 0.00 O ATOM 0 H GLY A 86 -13.367 -1.145 -4.229 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -13.831 1.719 -4.538 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -13.323 1.200 -2.943 1.00 0.00 H new ATOM 1295 N GLN A 87 -11.243 2.071 -4.588 1.00 0.00 N ATOM 1296 CA GLN A 87 -9.858 2.166 -5.034 1.00 0.00 C ATOM 1297 C GLN A 87 -9.206 3.444 -4.515 1.00 0.00 C ATOM 1298 O GLN A 87 -9.888 4.422 -4.213 1.00 0.00 O ATOM 1299 CB GLN A 87 -9.788 2.129 -6.562 1.00 0.00 C ATOM 1300 CG GLN A 87 -8.450 2.582 -7.121 1.00 0.00 C ATOM 1301 CD GLN A 87 -8.490 2.811 -8.619 1.00 0.00 C ATOM 1302 OE1 GLN A 87 -9.518 2.598 -9.264 1.00 0.00 O ATOM 1303 NE2 GLN A 87 -7.370 3.247 -9.183 1.00 0.00 N ATOM 0 H GLN A 87 -11.682 2.968 -4.380 1.00 0.00 H new ATOM 0 HA GLN A 87 -9.314 1.312 -4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -9.989 1.113 -6.902 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -10.576 2.763 -6.969 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -8.147 3.504 -6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.693 1.832 -6.892 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -6.541 3.410 -8.611 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -7.338 3.419 -10.188 1.00 0.00 H new ATOM 1312 N SER A 88 -7.880 3.426 -4.413 1.00 0.00 N ATOM 1313 CA SER A 88 -7.136 4.581 -3.926 1.00 0.00 C ATOM 1314 C SER A 88 -5.763 4.661 -4.587 1.00 0.00 C ATOM 1315 O SER A 88 -5.256 3.670 -5.111 1.00 0.00 O ATOM 1316 CB SER A 88 -6.979 4.510 -2.406 1.00 0.00 C ATOM 1317 OG SER A 88 -6.036 5.462 -1.945 1.00 0.00 O ATOM 0 H SER A 88 -7.300 2.624 -4.661 1.00 0.00 H new ATOM 0 HA SER A 88 -7.698 5.479 -4.184 1.00 0.00 H new ATOM 0 HB2 SER A 88 -7.943 4.688 -1.929 1.00 0.00 H new ATOM 0 HB3 SER A 88 -6.660 3.509 -2.117 1.00 0.00 H new ATOM 0 HG SER A 88 -6.393 6.365 -2.075 1.00 0.00 H new ATOM 1323 N SER A 89 -5.168 5.849 -4.559 1.00 0.00 N ATOM 1324 CA SER A 89 -3.856 6.061 -5.158 1.00 0.00 C ATOM 1325 C SER A 89 -3.083 7.142 -4.408 1.00 0.00 C ATOM 1326 O SER A 89 -3.658 8.135 -3.963 1.00 0.00 O ATOM 1327 CB SER A 89 -4.001 6.452 -6.630 1.00 0.00 C ATOM 1328 OG SER A 89 -4.888 7.547 -6.782 1.00 0.00 O ATOM 0 H SER A 89 -5.574 6.679 -4.128 1.00 0.00 H new ATOM 0 HA SER A 89 -3.299 5.127 -5.090 1.00 0.00 H new ATOM 0 HB2 SER A 89 -3.024 6.712 -7.038 1.00 0.00 H new ATOM 0 HB3 SER A 89 -4.369 5.600 -7.201 1.00 0.00 H new ATOM 0 HG SER A 89 -4.962 7.779 -7.731 1.00 0.00 H new ATOM 1334 N ALA A 90 -1.777 6.940 -4.270 1.00 0.00 N ATOM 1335 CA ALA A 90 -0.925 7.897 -3.576 1.00 0.00 C ATOM 1336 C ALA A 90 0.436 8.013 -4.254 1.00 0.00 C ATOM 1337 O ALA A 90 0.670 7.419 -5.307 1.00 0.00 O ATOM 1338 CB ALA A 90 -0.757 7.493 -2.118 1.00 0.00 C ATOM 0 H ALA A 90 -1.286 6.122 -4.630 1.00 0.00 H new ATOM 0 HA ALA A 90 -1.408 8.873 -3.619 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -0.118 8.216 -1.611 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -1.733 7.468 -1.633 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -0.300 6.505 -2.065 1.00 0.00 H new ATOM 1344 N LYS A 91 1.331 8.783 -3.645 1.00 0.00 N ATOM 1345 CA LYS A 91 2.670 8.978 -4.189 1.00 0.00 C ATOM 1346 C LYS A 91 3.730 8.788 -3.108 1.00 0.00 C ATOM 1347 O LYS A 91 3.664 9.406 -2.044 1.00 0.00 O ATOM 1348 CB LYS A 91 2.796 10.374 -4.801 1.00 0.00 C ATOM 1349 CG LYS A 91 2.145 10.500 -6.168 1.00 0.00 C ATOM 1350 CD LYS A 91 2.797 11.592 -6.998 1.00 0.00 C ATOM 1351 CE LYS A 91 2.693 11.299 -8.487 1.00 0.00 C ATOM 1352 NZ LYS A 91 3.196 12.432 -9.312 1.00 0.00 N ATOM 0 H LYS A 91 1.153 9.283 -2.774 1.00 0.00 H new ATOM 0 HA LYS A 91 2.831 8.231 -4.966 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.345 11.100 -4.125 1.00 0.00 H new ATOM 0 HB3 LYS A 91 3.852 10.630 -4.886 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.217 9.549 -6.695 1.00 0.00 H new ATOM 0 HG3 LYS A 91 1.084 10.718 -6.048 1.00 0.00 H new ATOM 0 HD2 LYS A 91 2.322 12.548 -6.780 1.00 0.00 H new ATOM 0 HD3 LYS A 91 3.846 11.686 -6.717 1.00 0.00 H new ATOM 0 HE2 LYS A 91 3.262 10.399 -8.721 1.00 0.00 H new ATOM 0 HE3 LYS A 91 1.654 11.095 -8.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 3.108 12.193 -10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.637 13.285 -9.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 4.195 12.610 -9.084 1.00 0.00 H new ATOM 1366 N LEU A 92 4.706 7.932 -3.387 1.00 0.00 N ATOM 1367 CA LEU A 92 5.781 7.662 -2.439 1.00 0.00 C ATOM 1368 C LEU A 92 7.111 8.202 -2.955 1.00 0.00 C ATOM 1369 O LEU A 92 7.725 7.619 -3.849 1.00 0.00 O ATOM 1370 CB LEU A 92 5.895 6.158 -2.180 1.00 0.00 C ATOM 1371 CG LEU A 92 6.734 5.747 -0.970 1.00 0.00 C ATOM 1372 CD1 LEU A 92 6.197 6.395 0.297 1.00 0.00 C ATOM 1373 CD2 LEU A 92 6.758 4.232 -0.827 1.00 0.00 C ATOM 0 H LEU A 92 4.775 7.413 -4.262 1.00 0.00 H new ATOM 0 HA LEU A 92 5.542 8.168 -1.504 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.890 5.754 -2.054 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.319 5.688 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 92 7.756 6.094 -1.126 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.807 6.091 1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 92 6.233 7.480 0.194 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.166 6.080 0.458 1.00 0.00 H new ATOM 0 HD21 LEU A 92 7.360 3.958 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 92 5.741 3.863 -0.694 1.00 0.00 H new ATOM 0 HD23 LEU A 92 7.190 3.789 -1.724 1.00 0.00 H new ATOM 1385 N SER A 93 7.551 9.319 -2.385 1.00 0.00 N ATOM 1386 CA SER A 93 8.808 9.940 -2.789 1.00 0.00 C ATOM 1387 C SER A 93 9.956 9.470 -1.900 1.00 0.00 C ATOM 1388 O SER A 93 9.885 9.563 -0.675 1.00 0.00 O ATOM 1389 CB SER A 93 8.691 11.464 -2.728 1.00 0.00 C ATOM 1390 OG SER A 93 8.157 11.983 -3.934 1.00 0.00 O ATOM 0 H SER A 93 7.056 9.813 -1.642 1.00 0.00 H new ATOM 0 HA SER A 93 9.020 9.640 -3.815 1.00 0.00 H new ATOM 0 HB2 SER A 93 8.053 11.750 -1.892 1.00 0.00 H new ATOM 0 HB3 SER A 93 9.673 11.900 -2.544 1.00 0.00 H new ATOM 0 HG SER A 93 8.091 12.959 -3.869 1.00 0.00 H new ATOM 1396 N VAL A 94 11.013 8.965 -2.528 1.00 0.00 N ATOM 1397 CA VAL A 94 12.177 8.481 -1.796 1.00 0.00 C ATOM 1398 C VAL A 94 13.365 9.422 -1.969 1.00 0.00 C ATOM 1399 O VAL A 94 13.712 9.800 -3.087 1.00 0.00 O ATOM 1400 CB VAL A 94 12.584 7.069 -2.257 1.00 0.00 C ATOM 1401 CG1 VAL A 94 13.932 6.682 -1.669 1.00 0.00 C ATOM 1402 CG2 VAL A 94 11.515 6.056 -1.874 1.00 0.00 C ATOM 0 H VAL A 94 11.087 8.880 -3.542 1.00 0.00 H new ATOM 0 HA VAL A 94 11.896 8.444 -0.744 1.00 0.00 H new ATOM 0 HB VAL A 94 12.677 7.073 -3.343 1.00 0.00 H new ATOM 0 HG11 VAL A 94 14.202 5.681 -2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 94 14.690 7.393 -1.998 1.00 0.00 H new ATOM 0 HG13 VAL A 94 13.871 6.694 -0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 94 11.818 5.063 -2.207 1.00 0.00 H new ATOM 0 HG22 VAL A 94 11.388 6.052 -0.791 1.00 0.00 H new ATOM 0 HG23 VAL A 94 10.572 6.325 -2.349 1.00 0.00 H new ATOM 1412 N ASP A 95 13.984 9.795 -0.854 1.00 0.00 N ATOM 1413 CA ASP A 95 15.134 10.690 -0.881 1.00 0.00 C ATOM 1414 C ASP A 95 16.353 10.028 -0.248 1.00 0.00 C ATOM 1415 O ASP A 95 16.239 8.996 0.415 1.00 0.00 O ATOM 1416 CB ASP A 95 14.809 11.995 -0.152 1.00 0.00 C ATOM 1417 CG ASP A 95 14.169 13.024 -1.063 1.00 0.00 C ATOM 1418 OD1 ASP A 95 13.335 12.632 -1.906 1.00 0.00 O ATOM 1419 OD2 ASP A 95 14.502 14.221 -0.933 1.00 0.00 O ATOM 0 H ASP A 95 13.708 9.491 0.080 1.00 0.00 H new ATOM 0 HA ASP A 95 15.365 10.913 -1.923 1.00 0.00 H new ATOM 0 HB2 ASP A 95 14.138 11.785 0.681 1.00 0.00 H new ATOM 0 HB3 ASP A 95 15.724 12.409 0.272 1.00 0.00 H new