USER MOD reduce.3.24.130724 H: found=0, std=0, add=717, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 715 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 VAL N :NH3+ 135:sc= -0.0406 (180deg=-0.306) USER MOD Single : A 3 LYS NZ :NH3+ -131:sc= 0.466 (180deg=-0.235) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= -0.838 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 24:sc= -2.23! USER MOD Single : A 13 ASN : amide:sc= -0.168 X(o=-0.17,f=0) USER MOD Single : A 15 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.179) USER MOD Single : A 16 HIS : no HD1:sc= -0.316 K(o=-0.32,f=-1.5) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot 141:sc= 1.47 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -140:sc= -0.131 (180deg=-1.45) USER MOD Single : A 36 HIS : no HD1:sc= -0.0549 X(o=-0.055,f=-0.36) USER MOD Single : A 38 SER OG : rot 32:sc= 0.468 USER MOD Single : A 44 MET CE :methyl 140:sc= -1.11 (180deg=-5.83!) USER MOD Single : A 45 THR OG1 : rot 180:sc= -0.0709 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 170:sc=-0.00574 USER MOD Single : A 56 SER OG : rot 88:sc= 0.502 USER MOD Single : A 61 GLN : amide:sc= -0.623 K(o=-0.62,f=-2!) USER MOD Single : A 65 ASN : amide:sc= -3.08! C(o=-3.1!,f=-4.7!) USER MOD Single : A 70 THR OG1 : rot -160:sc= 1.04 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 ASN : amide:sc= -0.485 K(o=-0.49,f=0.71) USER MOD Single : A 85 LYS NZ :NH3+ 154:sc= -0.232 (180deg=-0.885) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.253 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 15:sc= -0.134 USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -1.967 14.967 24.845 1.00 0.00 N ATOM 2 CA VAL A 1 -1.469 15.764 26.001 1.00 0.00 C ATOM 3 C VAL A 1 0.050 15.664 26.092 1.00 0.00 C ATOM 4 O VAL A 1 0.619 14.587 25.915 1.00 0.00 O ATOM 5 CB VAL A 1 -2.088 15.272 27.307 1.00 0.00 C ATOM 6 CG1 VAL A 1 -1.693 13.823 27.571 1.00 0.00 C ATOM 7 CG2 VAL A 1 -1.664 16.164 28.470 1.00 0.00 C ATOM 0 H1 VAL A 1 -2.795 14.410 25.138 1.00 0.00 H new ATOM 0 H2 VAL A 1 -2.238 15.608 24.072 1.00 0.00 H new ATOM 0 H3 VAL A 1 -1.217 14.326 24.516 1.00 0.00 H new ATOM 0 HA VAL A 1 -1.758 16.803 25.844 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.173 15.322 27.215 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -2.143 13.488 28.506 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -2.046 13.195 26.753 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -0.608 13.749 27.643 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -2.115 15.798 29.392 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -0.578 16.147 28.565 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -1.996 17.186 28.285 1.00 0.00 H new ATOM 19 N PRO A 2 0.730 16.789 26.375 1.00 0.00 N ATOM 20 CA PRO A 2 2.194 16.817 26.493 1.00 0.00 C ATOM 21 C PRO A 2 2.669 16.221 27.811 1.00 0.00 C ATOM 22 O PRO A 2 1.892 16.068 28.753 1.00 0.00 O ATOM 23 CB PRO A 2 2.543 18.295 26.414 1.00 0.00 C ATOM 24 CG PRO A 2 1.319 19.019 26.873 1.00 0.00 C ATOM 25 CD PRO A 2 0.136 18.117 26.606 1.00 0.00 C ATOM 0 HA PRO A 2 2.676 16.223 25.717 1.00 0.00 H new ATOM 0 HB2 PRO A 2 3.399 18.531 27.047 1.00 0.00 H new ATOM 0 HB3 PRO A 2 2.810 18.581 25.397 1.00 0.00 H new ATOM 0 HG2 PRO A 2 1.389 19.257 27.934 1.00 0.00 H new ATOM 0 HG3 PRO A 2 1.209 19.964 26.341 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -0.551 18.103 27.452 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -0.432 18.454 25.739 1.00 0.00 H new ATOM 33 N LYS A 3 3.950 15.884 27.866 1.00 0.00 N ATOM 34 CA LYS A 3 4.541 15.300 29.063 1.00 0.00 C ATOM 35 C LYS A 3 5.846 16.007 29.405 1.00 0.00 C ATOM 36 O LYS A 3 6.908 15.658 28.889 1.00 0.00 O ATOM 37 CB LYS A 3 4.792 13.802 28.859 1.00 0.00 C ATOM 38 CG LYS A 3 5.082 13.453 27.398 1.00 0.00 C ATOM 39 CD LYS A 3 6.156 12.375 27.291 1.00 0.00 C ATOM 40 CE LYS A 3 7.203 12.739 26.243 1.00 0.00 C ATOM 41 NZ LYS A 3 7.994 13.932 26.660 1.00 0.00 N ATOM 0 H LYS A 3 4.603 16.006 27.092 1.00 0.00 H new ATOM 0 HA LYS A 3 3.844 15.428 29.891 1.00 0.00 H new ATOM 0 HB2 LYS A 3 5.633 13.490 29.478 1.00 0.00 H new ATOM 0 HB3 LYS A 3 3.921 13.241 29.198 1.00 0.00 H new ATOM 0 HG2 LYS A 3 4.168 13.108 26.915 1.00 0.00 H new ATOM 0 HG3 LYS A 3 5.406 14.347 26.865 1.00 0.00 H new ATOM 0 HD2 LYS A 3 6.638 12.242 28.259 1.00 0.00 H new ATOM 0 HD3 LYS A 3 5.694 11.423 27.031 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.872 11.893 26.085 1.00 0.00 H new ATOM 0 HE3 LYS A 3 6.713 12.940 25.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 8.029 14.616 25.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 7.545 14.375 27.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 8.961 13.639 26.907 1.00 0.00 H new ATOM 55 N VAL A 4 5.757 17.006 30.278 1.00 0.00 N ATOM 56 CA VAL A 4 6.926 17.773 30.693 1.00 0.00 C ATOM 57 C VAL A 4 7.640 17.078 31.844 1.00 0.00 C ATOM 58 O VAL A 4 7.264 15.979 32.251 1.00 0.00 O ATOM 59 CB VAL A 4 6.504 19.175 31.123 1.00 0.00 C ATOM 60 CG1 VAL A 4 5.878 19.930 29.954 1.00 0.00 C ATOM 61 CG2 VAL A 4 5.532 19.102 32.298 1.00 0.00 C ATOM 0 H VAL A 4 4.884 17.304 30.713 1.00 0.00 H new ATOM 0 HA VAL A 4 7.610 17.844 29.847 1.00 0.00 H new ATOM 0 HB VAL A 4 7.392 19.719 31.444 1.00 0.00 H new ATOM 0 HG11 VAL A 4 5.584 20.927 30.281 1.00 0.00 H new ATOM 0 HG12 VAL A 4 6.603 20.013 29.144 1.00 0.00 H new ATOM 0 HG13 VAL A 4 5.000 19.390 29.601 1.00 0.00 H new ATOM 0 HG21 VAL A 4 5.241 20.110 32.592 1.00 0.00 H new ATOM 0 HG22 VAL A 4 4.646 18.540 32.003 1.00 0.00 H new ATOM 0 HG23 VAL A 4 6.014 18.604 33.139 1.00 0.00 H new ATOM 71 N THR A 5 8.670 17.733 32.367 1.00 0.00 N ATOM 72 CA THR A 5 9.444 17.191 33.478 1.00 0.00 C ATOM 73 C THR A 5 10.329 18.275 34.080 1.00 0.00 C ATOM 74 O THR A 5 10.741 19.207 33.389 1.00 0.00 O ATOM 75 CB THR A 5 10.303 16.025 32.997 1.00 0.00 C ATOM 76 OG1 THR A 5 10.627 16.194 31.625 1.00 0.00 O ATOM 77 CG2 THR A 5 9.581 14.698 33.203 1.00 0.00 C ATOM 0 H THR A 5 8.990 18.644 32.038 1.00 0.00 H new ATOM 0 HA THR A 5 8.756 16.833 34.243 1.00 0.00 H new ATOM 0 HB THR A 5 11.222 16.011 33.583 1.00 0.00 H new ATOM 0 HG1 THR A 5 11.180 15.443 31.324 1.00 0.00 H new ATOM 0 HG21 THR A 5 10.213 13.882 32.853 1.00 0.00 H new ATOM 0 HG22 THR A 5 9.366 14.561 34.263 1.00 0.00 H new ATOM 0 HG23 THR A 5 8.647 14.701 32.641 1.00 0.00 H new ATOM 85 N PHE A 6 10.618 18.150 35.370 1.00 0.00 N ATOM 86 CA PHE A 6 11.456 19.122 36.065 1.00 0.00 C ATOM 87 C PHE A 6 12.701 18.445 36.623 1.00 0.00 C ATOM 88 O PHE A 6 12.772 17.218 36.697 1.00 0.00 O ATOM 89 CB PHE A 6 10.667 19.778 37.194 1.00 0.00 C ATOM 90 CG PHE A 6 9.580 20.696 36.693 1.00 0.00 C ATOM 91 CD1 PHE A 6 8.404 20.168 36.183 1.00 0.00 C ATOM 92 CD2 PHE A 6 9.756 22.069 36.741 1.00 0.00 C ATOM 93 CE1 PHE A 6 7.407 21.012 35.723 1.00 0.00 C ATOM 94 CE2 PHE A 6 8.759 22.913 36.281 1.00 0.00 C ATOM 95 CZ PHE A 6 7.585 22.385 35.772 1.00 0.00 C ATOM 0 H PHE A 6 10.285 17.385 35.957 1.00 0.00 H new ATOM 0 HA PHE A 6 11.765 19.889 35.355 1.00 0.00 H new ATOM 0 HB2 PHE A 6 10.222 19.003 37.818 1.00 0.00 H new ATOM 0 HB3 PHE A 6 11.350 20.344 37.827 1.00 0.00 H new ATOM 0 HD1 PHE A 6 8.265 19.098 36.144 1.00 0.00 H new ATOM 0 HD2 PHE A 6 10.672 22.482 37.138 1.00 0.00 H new ATOM 0 HE1 PHE A 6 6.491 20.600 35.326 1.00 0.00 H new ATOM 0 HE2 PHE A 6 8.897 23.983 36.319 1.00 0.00 H new ATOM 0 HZ PHE A 6 6.808 23.043 35.413 1.00 0.00 H new ATOM 105 N THR A 7 13.683 19.251 37.015 1.00 0.00 N ATOM 106 CA THR A 7 14.928 18.727 37.566 1.00 0.00 C ATOM 107 C THR A 7 15.640 19.798 38.381 1.00 0.00 C ATOM 108 O THR A 7 16.004 20.851 37.858 1.00 0.00 O ATOM 109 CB THR A 7 15.836 18.246 36.437 1.00 0.00 C ATOM 110 OG1 THR A 7 15.055 17.718 35.377 1.00 0.00 O ATOM 111 CG2 THR A 7 16.813 17.190 36.943 1.00 0.00 C ATOM 0 H THR A 7 13.641 20.269 36.961 1.00 0.00 H new ATOM 0 HA THR A 7 14.693 17.887 38.220 1.00 0.00 H new ATOM 0 HB THR A 7 16.409 19.097 36.069 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.645 17.413 34.656 1.00 0.00 H new ATOM 0 HG21 THR A 7 17.450 16.861 36.122 1.00 0.00 H new ATOM 0 HG22 THR A 7 17.431 17.615 37.734 1.00 0.00 H new ATOM 0 HG23 THR A 7 16.257 16.338 37.335 1.00 0.00 H new ATOM 119 N VAL A 8 15.837 19.522 39.665 1.00 0.00 N ATOM 120 CA VAL A 8 16.507 20.461 40.558 1.00 0.00 C ATOM 121 C VAL A 8 17.950 20.674 40.117 1.00 0.00 C ATOM 122 O VAL A 8 18.805 19.813 40.321 1.00 0.00 O ATOM 123 CB VAL A 8 16.472 19.932 41.988 1.00 0.00 C ATOM 124 CG1 VAL A 8 17.125 20.925 42.944 1.00 0.00 C ATOM 125 CG2 VAL A 8 15.035 19.644 42.415 1.00 0.00 C ATOM 0 H VAL A 8 15.542 18.654 40.112 1.00 0.00 H new ATOM 0 HA VAL A 8 15.985 21.417 40.517 1.00 0.00 H new ATOM 0 HB VAL A 8 17.037 19.000 42.024 1.00 0.00 H new ATOM 0 HG11 VAL A 8 17.090 20.530 43.959 1.00 0.00 H new ATOM 0 HG12 VAL A 8 18.163 21.083 42.652 1.00 0.00 H new ATOM 0 HG13 VAL A 8 16.589 21.873 42.905 1.00 0.00 H new ATOM 0 HG21 VAL A 8 15.028 19.267 43.438 1.00 0.00 H new ATOM 0 HG22 VAL A 8 14.449 20.562 42.362 1.00 0.00 H new ATOM 0 HG23 VAL A 8 14.601 18.897 41.750 1.00 0.00 H new ATOM 135 N GLU A 9 18.212 21.826 39.508 1.00 0.00 N ATOM 136 CA GLU A 9 19.552 22.157 39.035 1.00 0.00 C ATOM 137 C GLU A 9 20.455 22.520 40.206 1.00 0.00 C ATOM 138 O GLU A 9 19.978 22.917 41.269 1.00 0.00 O ATOM 139 CB GLU A 9 19.483 23.321 38.050 1.00 0.00 C ATOM 140 CG GLU A 9 19.094 22.840 36.656 1.00 0.00 C ATOM 141 CD GLU A 9 20.310 22.838 35.739 1.00 0.00 C ATOM 142 OE1 GLU A 9 21.433 22.620 36.240 1.00 0.00 O ATOM 143 OE2 GLU A 9 20.138 23.055 34.521 1.00 0.00 O ATOM 0 H GLU A 9 17.513 22.547 39.330 1.00 0.00 H new ATOM 0 HA GLU A 9 19.969 21.285 38.531 1.00 0.00 H new ATOM 0 HB2 GLU A 9 18.757 24.055 38.400 1.00 0.00 H new ATOM 0 HB3 GLU A 9 20.449 23.823 38.008 1.00 0.00 H new ATOM 0 HG2 GLU A 9 18.673 21.836 36.715 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.320 23.487 36.243 1.00 0.00 H new ATOM 150 N LYS A 10 21.762 22.381 40.007 1.00 0.00 N ATOM 151 CA LYS A 10 22.734 22.695 41.049 1.00 0.00 C ATOM 152 C LYS A 10 22.489 24.095 41.596 1.00 0.00 C ATOM 153 O LYS A 10 21.788 24.898 40.980 1.00 0.00 O ATOM 154 CB LYS A 10 24.150 22.595 40.489 1.00 0.00 C ATOM 155 CG LYS A 10 24.686 21.170 40.590 1.00 0.00 C ATOM 156 CD LYS A 10 26.182 21.119 40.296 1.00 0.00 C ATOM 157 CE LYS A 10 26.887 20.108 41.196 1.00 0.00 C ATOM 158 NZ LYS A 10 27.701 19.148 40.399 1.00 0.00 N ATOM 0 H LYS A 10 22.173 22.053 39.133 1.00 0.00 H new ATOM 0 HA LYS A 10 22.621 21.977 41.861 1.00 0.00 H new ATOM 0 HB2 LYS A 10 24.155 22.915 39.447 1.00 0.00 H new ATOM 0 HB3 LYS A 10 24.808 23.273 41.033 1.00 0.00 H new ATOM 0 HG2 LYS A 10 24.496 20.778 41.589 1.00 0.00 H new ATOM 0 HG3 LYS A 10 24.153 20.528 39.889 1.00 0.00 H new ATOM 0 HD2 LYS A 10 26.341 20.853 39.251 1.00 0.00 H new ATOM 0 HD3 LYS A 10 26.618 22.107 40.443 1.00 0.00 H new ATOM 0 HE2 LYS A 10 27.529 20.633 41.903 1.00 0.00 H new ATOM 0 HE3 LYS A 10 26.148 19.562 41.782 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 28.168 18.474 41.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 27.083 18.631 39.742 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 28.422 19.668 39.859 1.00 0.00 H new ATOM 172 N GLY A 11 23.071 24.383 42.756 1.00 0.00 N ATOM 173 CA GLY A 11 22.917 25.690 43.387 1.00 0.00 C ATOM 174 C GLY A 11 21.617 25.756 44.177 1.00 0.00 C ATOM 175 O GLY A 11 21.044 26.830 44.360 1.00 0.00 O ATOM 0 H GLY A 11 23.654 23.729 43.279 1.00 0.00 H new ATOM 0 HA2 GLY A 11 23.761 25.881 44.050 1.00 0.00 H new ATOM 0 HA3 GLY A 11 22.926 26.470 42.626 1.00 0.00 H new ATOM 179 N SER A 12 21.157 24.601 44.646 1.00 0.00 N ATOM 180 CA SER A 12 19.923 24.525 45.420 1.00 0.00 C ATOM 181 C SER A 12 20.184 24.905 46.871 1.00 0.00 C ATOM 182 O SER A 12 20.900 24.204 47.587 1.00 0.00 O ATOM 183 CB SER A 12 19.350 23.113 45.347 1.00 0.00 C ATOM 184 OG SER A 12 20.191 22.198 46.031 1.00 0.00 O ATOM 0 H SER A 12 21.621 23.704 44.504 1.00 0.00 H new ATOM 0 HA SER A 12 19.202 25.226 44.999 1.00 0.00 H new ATOM 0 HB2 SER A 12 18.352 23.096 45.786 1.00 0.00 H new ATOM 0 HB3 SER A 12 19.245 22.810 44.305 1.00 0.00 H new ATOM 0 HG SER A 12 20.720 22.678 46.702 1.00 0.00 H new ATOM 190 N ASN A 13 19.600 26.018 47.300 1.00 0.00 N ATOM 191 CA ASN A 13 19.768 26.494 48.669 1.00 0.00 C ATOM 192 C ASN A 13 18.483 26.291 49.461 1.00 0.00 C ATOM 193 O ASN A 13 17.492 25.786 48.935 1.00 0.00 O ATOM 194 CB ASN A 13 20.151 27.972 48.663 1.00 0.00 C ATOM 195 CG ASN A 13 21.498 28.164 47.977 1.00 0.00 C ATOM 196 OD1 ASN A 13 22.548 28.074 48.613 1.00 0.00 O ATOM 197 ND2 ASN A 13 21.468 28.428 46.676 1.00 0.00 N ATOM 0 H ASN A 13 19.005 26.609 46.719 1.00 0.00 H new ATOM 0 HA ASN A 13 20.565 25.922 49.144 1.00 0.00 H new ATOM 0 HB2 ASN A 13 19.386 28.551 48.146 1.00 0.00 H new ATOM 0 HB3 ASN A 13 20.199 28.347 49.685 1.00 0.00 H new ATOM 0 HD21 ASN A 13 22.339 28.565 46.163 1.00 0.00 H new ATOM 0 HD22 ASN A 13 20.574 28.493 46.189 1.00 0.00 H new ATOM 204 N GLU A 14 18.507 26.686 50.730 1.00 0.00 N ATOM 205 CA GLU A 14 17.343 26.545 51.599 1.00 0.00 C ATOM 206 C GLU A 14 16.226 27.474 51.145 1.00 0.00 C ATOM 207 O GLU A 14 15.045 27.179 51.333 1.00 0.00 O ATOM 208 CB GLU A 14 17.727 26.866 53.040 1.00 0.00 C ATOM 209 CG GLU A 14 18.861 25.967 53.523 1.00 0.00 C ATOM 210 CD GLU A 14 18.302 24.660 54.071 1.00 0.00 C ATOM 211 OE1 GLU A 14 17.831 23.831 53.265 1.00 0.00 O ATOM 212 OE2 GLU A 14 18.337 24.469 55.304 1.00 0.00 O ATOM 0 H GLU A 14 19.320 27.107 51.180 1.00 0.00 H new ATOM 0 HA GLU A 14 16.989 25.516 51.542 1.00 0.00 H new ATOM 0 HB2 GLU A 14 18.031 27.910 53.114 1.00 0.00 H new ATOM 0 HB3 GLU A 14 16.859 26.740 53.687 1.00 0.00 H new ATOM 0 HG2 GLU A 14 19.546 25.761 52.701 1.00 0.00 H new ATOM 0 HG3 GLU A 14 19.435 26.478 54.296 1.00 0.00 H new ATOM 219 N LYS A 15 16.605 28.600 50.551 1.00 0.00 N ATOM 220 CA LYS A 15 15.633 29.578 50.073 1.00 0.00 C ATOM 221 C LYS A 15 15.396 29.407 48.578 1.00 0.00 C ATOM 222 O LYS A 15 14.257 29.433 48.114 1.00 0.00 O ATOM 223 CB LYS A 15 16.128 30.997 50.354 1.00 0.00 C ATOM 224 CG LYS A 15 16.836 31.093 51.704 1.00 0.00 C ATOM 225 CD LYS A 15 15.982 30.502 52.823 1.00 0.00 C ATOM 226 CE LYS A 15 14.624 31.193 52.907 1.00 0.00 C ATOM 227 NZ LYS A 15 14.776 32.659 53.123 1.00 0.00 N ATOM 0 H LYS A 15 17.578 28.859 50.389 1.00 0.00 H new ATOM 0 HA LYS A 15 14.694 29.414 50.602 1.00 0.00 H new ATOM 0 HB2 LYS A 15 16.810 31.307 49.563 1.00 0.00 H new ATOM 0 HB3 LYS A 15 15.284 31.687 50.336 1.00 0.00 H new ATOM 0 HG2 LYS A 15 17.789 30.567 51.655 1.00 0.00 H new ATOM 0 HG3 LYS A 15 17.059 32.137 51.926 1.00 0.00 H new ATOM 0 HD2 LYS A 15 15.840 29.435 52.650 1.00 0.00 H new ATOM 0 HD3 LYS A 15 16.504 30.604 53.774 1.00 0.00 H new ATOM 0 HE2 LYS A 15 14.065 31.014 51.988 1.00 0.00 H new ATOM 0 HE3 LYS A 15 14.043 30.761 53.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 13.855 33.070 53.378 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 15.455 32.828 53.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 15.124 33.104 52.250 1.00 0.00 H new ATOM 241 N HIS A 16 16.480 29.238 47.829 1.00 0.00 N ATOM 242 CA HIS A 16 16.392 29.070 46.382 1.00 0.00 C ATOM 243 C HIS A 16 16.022 27.636 46.027 1.00 0.00 C ATOM 244 O HIS A 16 16.157 26.726 46.845 1.00 0.00 O ATOM 245 CB HIS A 16 17.725 29.438 45.736 1.00 0.00 C ATOM 246 CG HIS A 16 18.076 30.883 45.914 1.00 0.00 C ATOM 247 ND1 HIS A 16 18.207 31.480 47.142 1.00 0.00 N ATOM 248 CD2 HIS A 16 18.326 31.871 45.017 1.00 0.00 C ATOM 249 CE1 HIS A 16 18.516 32.749 47.018 1.00 0.00 C ATOM 250 NE2 HIS A 16 18.598 33.027 45.727 1.00 0.00 N ATOM 0 H HIS A 16 17.430 29.214 48.199 1.00 0.00 H new ATOM 0 HA HIS A 16 15.612 29.731 46.004 1.00 0.00 H new ATOM 0 HB2 HIS A 16 18.514 28.821 46.166 1.00 0.00 H new ATOM 0 HB3 HIS A 16 17.684 29.207 44.672 1.00 0.00 H new ATOM 0 HD2 HIS A 16 18.315 31.772 43.942 1.00 0.00 H new ATOM 0 HE1 HIS A 16 18.676 33.445 47.828 1.00 0.00 H new ATOM 0 HE2 HIS A 16 18.823 33.937 45.324 1.00 0.00 H new ATOM 258 N LEU A 17 15.556 27.444 44.797 1.00 0.00 N ATOM 259 CA LEU A 17 15.165 26.123 44.318 1.00 0.00 C ATOM 260 C LEU A 17 15.249 26.081 42.798 1.00 0.00 C ATOM 261 O LEU A 17 14.236 26.168 42.105 1.00 0.00 O ATOM 262 CB LEU A 17 13.742 25.802 44.784 1.00 0.00 C ATOM 263 CG LEU A 17 13.428 24.304 44.712 1.00 0.00 C ATOM 264 CD1 LEU A 17 13.202 23.868 43.268 1.00 0.00 C ATOM 265 CD2 LEU A 17 14.538 23.475 45.356 1.00 0.00 C ATOM 0 H LEU A 17 15.440 28.190 44.111 1.00 0.00 H new ATOM 0 HA LEU A 17 15.844 25.374 44.727 1.00 0.00 H new ATOM 0 HB2 LEU A 17 13.611 26.149 45.809 1.00 0.00 H new ATOM 0 HB3 LEU A 17 13.029 26.350 44.168 1.00 0.00 H new ATOM 0 HG LEU A 17 12.510 24.129 45.273 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.981 22.801 43.240 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.364 24.423 42.847 1.00 0.00 H new ATOM 0 HD13 LEU A 17 14.100 24.067 42.683 1.00 0.00 H new ATOM 0 HD21 LEU A 17 14.287 22.416 45.290 1.00 0.00 H new ATOM 0 HD22 LEU A 17 15.478 23.658 44.835 1.00 0.00 H new ATOM 0 HD23 LEU A 17 14.642 23.758 46.403 1.00 0.00 H new ATOM 277 N ALA A 18 16.469 25.961 42.287 1.00 0.00 N ATOM 278 CA ALA A 18 16.702 25.920 40.846 1.00 0.00 C ATOM 279 C ALA A 18 16.176 24.622 40.249 1.00 0.00 C ATOM 280 O ALA A 18 16.318 23.550 40.838 1.00 0.00 O ATOM 281 CB ALA A 18 18.194 26.053 40.558 1.00 0.00 C ATOM 0 H ALA A 18 17.316 25.890 42.851 1.00 0.00 H new ATOM 0 HA ALA A 18 16.168 26.752 40.388 1.00 0.00 H new ATOM 0 HB1 ALA A 18 18.361 26.022 39.481 1.00 0.00 H new ATOM 0 HB2 ALA A 18 18.558 27.001 40.954 1.00 0.00 H new ATOM 0 HB3 ALA A 18 18.731 25.231 41.032 1.00 0.00 H new ATOM 287 N VAL A 19 15.576 24.730 39.069 1.00 0.00 N ATOM 288 CA VAL A 19 15.031 23.573 38.370 1.00 0.00 C ATOM 289 C VAL A 19 15.570 23.533 36.947 1.00 0.00 C ATOM 290 O VAL A 19 16.370 24.381 36.560 1.00 0.00 O ATOM 291 CB VAL A 19 13.507 23.644 38.351 1.00 0.00 C ATOM 292 CG1 VAL A 19 12.960 23.715 39.774 1.00 0.00 C ATOM 293 CG2 VAL A 19 13.034 24.845 37.535 1.00 0.00 C ATOM 0 H VAL A 19 15.454 25.613 38.574 1.00 0.00 H new ATOM 0 HA VAL A 19 15.333 22.665 38.892 1.00 0.00 H new ATOM 0 HB VAL A 19 13.126 22.739 37.878 1.00 0.00 H new ATOM 0 HG11 VAL A 19 11.872 23.765 39.743 1.00 0.00 H new ATOM 0 HG12 VAL A 19 13.267 22.827 40.327 1.00 0.00 H new ATOM 0 HG13 VAL A 19 13.350 24.604 40.270 1.00 0.00 H new ATOM 0 HG21 VAL A 19 11.944 24.878 37.534 1.00 0.00 H new ATOM 0 HG22 VAL A 19 13.424 25.762 37.977 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.395 24.754 36.511 1.00 0.00 H new ATOM 303 N LEU A 20 15.131 22.550 36.172 1.00 0.00 N ATOM 304 CA LEU A 20 15.578 22.414 34.790 1.00 0.00 C ATOM 305 C LEU A 20 14.393 22.129 33.875 1.00 0.00 C ATOM 306 O LEU A 20 14.145 20.983 33.503 1.00 0.00 O ATOM 307 CB LEU A 20 16.604 21.291 34.684 1.00 0.00 C ATOM 308 CG LEU A 20 17.563 21.524 33.520 1.00 0.00 C ATOM 309 CD1 LEU A 20 18.600 20.407 33.450 1.00 0.00 C ATOM 310 CD2 LEU A 20 16.795 21.625 32.206 1.00 0.00 C ATOM 0 H LEU A 20 14.468 21.837 36.475 1.00 0.00 H new ATOM 0 HA LEU A 20 16.041 23.350 34.477 1.00 0.00 H new ATOM 0 HB2 LEU A 20 17.168 21.222 35.614 1.00 0.00 H new ATOM 0 HB3 LEU A 20 16.091 20.338 34.550 1.00 0.00 H new ATOM 0 HG LEU A 20 18.084 22.467 33.687 1.00 0.00 H new ATOM 0 HD11 LEU A 20 19.275 20.589 32.614 1.00 0.00 H new ATOM 0 HD12 LEU A 20 19.170 20.381 34.379 1.00 0.00 H new ATOM 0 HD13 LEU A 20 18.096 19.451 33.307 1.00 0.00 H new ATOM 0 HD21 LEU A 20 17.495 21.791 31.387 1.00 0.00 H new ATOM 0 HD22 LEU A 20 16.247 20.699 32.033 1.00 0.00 H new ATOM 0 HD23 LEU A 20 16.093 22.457 32.258 1.00 0.00 H new ATOM 322 N VAL A 21 13.663 23.182 33.517 1.00 0.00 N ATOM 323 CA VAL A 21 12.498 23.050 32.645 1.00 0.00 C ATOM 324 C VAL A 21 12.910 23.195 31.186 1.00 0.00 C ATOM 325 O VAL A 21 13.028 24.308 30.673 1.00 0.00 O ATOM 326 CB VAL A 21 11.449 24.109 32.988 1.00 0.00 C ATOM 327 CG1 VAL A 21 10.087 23.711 32.427 1.00 0.00 C ATOM 328 CG2 VAL A 21 11.361 24.326 34.498 1.00 0.00 C ATOM 0 H VAL A 21 13.857 24.137 33.817 1.00 0.00 H new ATOM 0 HA VAL A 21 12.067 22.061 32.799 1.00 0.00 H new ATOM 0 HB VAL A 21 11.755 25.049 32.529 1.00 0.00 H new ATOM 0 HG11 VAL A 21 9.352 24.475 32.680 1.00 0.00 H new ATOM 0 HG12 VAL A 21 10.154 23.616 31.343 1.00 0.00 H new ATOM 0 HG13 VAL A 21 9.781 22.757 32.857 1.00 0.00 H new ATOM 0 HG21 VAL A 21 10.608 25.084 34.713 1.00 0.00 H new ATOM 0 HG22 VAL A 21 11.084 23.391 34.984 1.00 0.00 H new ATOM 0 HG23 VAL A 21 12.328 24.659 34.875 1.00 0.00 H new ATOM 338 N LYS A 22 13.128 22.067 30.520 1.00 0.00 N ATOM 339 CA LYS A 22 13.526 22.072 29.117 1.00 0.00 C ATOM 340 C LYS A 22 12.991 20.834 28.409 1.00 0.00 C ATOM 341 O LYS A 22 12.898 19.759 29.002 1.00 0.00 O ATOM 342 CB LYS A 22 15.047 22.116 29.006 1.00 0.00 C ATOM 343 CG LYS A 22 15.564 23.551 29.038 1.00 0.00 C ATOM 344 CD LYS A 22 16.884 23.677 28.283 1.00 0.00 C ATOM 345 CE LYS A 22 17.364 25.125 28.244 1.00 0.00 C ATOM 346 NZ LYS A 22 18.393 25.325 27.185 1.00 0.00 N ATOM 0 H LYS A 22 13.036 21.137 30.929 1.00 0.00 H new ATOM 0 HA LYS A 22 13.107 22.958 28.640 1.00 0.00 H new ATOM 0 HB2 LYS A 22 15.490 21.549 29.825 1.00 0.00 H new ATOM 0 HB3 LYS A 22 15.360 21.635 28.079 1.00 0.00 H new ATOM 0 HG2 LYS A 22 14.824 24.217 28.596 1.00 0.00 H new ATOM 0 HG3 LYS A 22 15.701 23.868 30.072 1.00 0.00 H new ATOM 0 HD2 LYS A 22 17.640 23.054 28.761 1.00 0.00 H new ATOM 0 HD3 LYS A 22 16.761 23.305 27.266 1.00 0.00 H new ATOM 0 HE2 LYS A 22 16.517 25.786 28.061 1.00 0.00 H new ATOM 0 HE3 LYS A 22 17.779 25.399 29.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 18.700 26.319 27.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 19.210 24.710 27.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.988 25.086 26.258 1.00 0.00 H new ATOM 360 N TYR A 23 12.641 20.992 27.138 1.00 0.00 N ATOM 361 CA TYR A 23 12.113 19.887 26.343 1.00 0.00 C ATOM 362 C TYR A 23 11.776 20.363 24.936 1.00 0.00 C ATOM 363 O TYR A 23 11.605 21.559 24.700 1.00 0.00 O ATOM 364 CB TYR A 23 10.868 19.303 27.009 1.00 0.00 C ATOM 365 CG TYR A 23 10.024 20.334 27.706 1.00 0.00 C ATOM 366 CD1 TYR A 23 9.208 21.175 26.971 1.00 0.00 C ATOM 367 CD2 TYR A 23 10.062 20.439 29.084 1.00 0.00 C ATOM 368 CE1 TYR A 23 8.431 22.120 27.616 1.00 0.00 C ATOM 369 CE2 TYR A 23 9.286 21.384 29.727 1.00 0.00 C ATOM 370 CZ TYR A 23 8.473 22.221 28.991 1.00 0.00 C ATOM 371 OH TYR A 23 7.700 23.162 29.631 1.00 0.00 O ATOM 0 H TYR A 23 12.713 21.876 26.634 1.00 0.00 H new ATOM 0 HA TYR A 23 12.875 19.110 26.279 1.00 0.00 H new ATOM 0 HB2 TYR A 23 10.264 18.799 26.254 1.00 0.00 H new ATOM 0 HB3 TYR A 23 11.173 18.545 27.731 1.00 0.00 H new ATOM 0 HD1 TYR A 23 9.178 21.094 25.894 1.00 0.00 H new ATOM 0 HD2 TYR A 23 10.699 19.782 29.658 1.00 0.00 H new ATOM 0 HE1 TYR A 23 7.793 22.777 27.044 1.00 0.00 H new ATOM 0 HE2 TYR A 23 9.316 21.467 30.803 1.00 0.00 H new ATOM 0 HH TYR A 23 7.334 22.779 30.455 1.00 0.00 H new ATOM 381 N GLU A 24 11.686 19.421 24.004 1.00 0.00 N ATOM 382 CA GLU A 24 11.373 19.743 22.616 1.00 0.00 C ATOM 383 C GLU A 24 10.027 20.452 22.525 1.00 0.00 C ATOM 384 O GLU A 24 9.399 20.747 23.542 1.00 0.00 O ATOM 385 CB GLU A 24 11.345 18.468 21.780 1.00 0.00 C ATOM 386 CG GLU A 24 10.201 17.552 22.204 1.00 0.00 C ATOM 387 CD GLU A 24 10.458 16.131 21.721 1.00 0.00 C ATOM 388 OE1 GLU A 24 10.859 15.964 20.551 1.00 0.00 O ATOM 389 OE2 GLU A 24 10.258 15.187 22.515 1.00 0.00 O ATOM 0 H GLU A 24 11.825 18.427 24.184 1.00 0.00 H new ATOM 0 HA GLU A 24 12.145 20.408 22.230 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.237 18.724 20.726 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.293 17.941 21.885 1.00 0.00 H new ATOM 0 HG2 GLU A 24 10.100 17.562 23.289 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.260 17.919 21.793 1.00 0.00 H new ATOM 396 N GLY A 25 9.589 20.724 21.299 1.00 0.00 N ATOM 397 CA GLY A 25 8.316 21.399 21.073 1.00 0.00 C ATOM 398 C GLY A 25 8.413 22.871 21.454 1.00 0.00 C ATOM 399 O GLY A 25 8.757 23.715 20.627 1.00 0.00 O ATOM 0 H GLY A 25 10.097 20.487 20.447 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.031 21.307 20.025 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.534 20.917 21.659 1.00 0.00 H new ATOM 403 N ASP A 26 8.106 23.173 22.711 1.00 0.00 N ATOM 404 CA ASP A 26 8.156 24.545 23.205 1.00 0.00 C ATOM 405 C ASP A 26 9.596 25.038 23.254 1.00 0.00 C ATOM 406 O ASP A 26 10.535 24.253 23.117 1.00 0.00 O ATOM 407 CB ASP A 26 7.532 24.620 24.596 1.00 0.00 C ATOM 408 CG ASP A 26 6.222 23.843 24.629 1.00 0.00 C ATOM 409 OD1 ASP A 26 5.451 23.934 23.651 1.00 0.00 O ATOM 410 OD2 ASP A 26 5.969 23.146 25.634 1.00 0.00 O ATOM 0 H ASP A 26 7.819 22.485 23.408 1.00 0.00 H new ATOM 0 HA ASP A 26 7.591 25.183 22.525 1.00 0.00 H new ATOM 0 HB2 ASP A 26 8.223 24.213 25.335 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.353 25.661 24.866 1.00 0.00 H new ATOM 415 N THR A 27 9.767 26.342 23.450 1.00 0.00 N ATOM 416 CA THR A 27 11.098 26.937 23.517 1.00 0.00 C ATOM 417 C THR A 27 11.195 27.906 24.689 1.00 0.00 C ATOM 418 O THR A 27 11.869 28.932 24.607 1.00 0.00 O ATOM 419 CB THR A 27 11.412 27.665 22.215 1.00 0.00 C ATOM 420 OG1 THR A 27 11.233 26.791 21.112 1.00 0.00 O ATOM 421 CG2 THR A 27 12.839 28.200 22.234 1.00 0.00 C ATOM 0 H THR A 27 9.002 27.006 23.565 1.00 0.00 H new ATOM 0 HA THR A 27 11.825 26.138 23.665 1.00 0.00 H new ATOM 0 HB THR A 27 10.727 28.507 22.114 1.00 0.00 H new ATOM 0 HG1 THR A 27 11.436 27.268 20.280 1.00 0.00 H new ATOM 0 HG21 THR A 27 13.046 28.717 21.297 1.00 0.00 H new ATOM 0 HG22 THR A 27 12.956 28.895 23.065 1.00 0.00 H new ATOM 0 HG23 THR A 27 13.537 27.371 22.353 1.00 0.00 H new ATOM 429 N MET A 28 10.524 27.571 25.782 1.00 0.00 N ATOM 430 CA MET A 28 10.539 28.408 26.979 1.00 0.00 C ATOM 431 C MET A 28 9.956 29.784 26.685 1.00 0.00 C ATOM 432 O MET A 28 10.463 30.515 25.834 1.00 0.00 O ATOM 433 CB MET A 28 11.969 28.561 27.481 1.00 0.00 C ATOM 434 CG MET A 28 12.613 27.204 27.745 1.00 0.00 C ATOM 435 SD MET A 28 13.749 26.717 26.437 1.00 0.00 S ATOM 436 CE MET A 28 13.312 24.983 26.236 1.00 0.00 C ATOM 0 H MET A 28 9.961 26.725 25.867 1.00 0.00 H new ATOM 0 HA MET A 28 9.929 27.926 27.743 1.00 0.00 H new ATOM 0 HB2 MET A 28 12.558 29.108 26.745 1.00 0.00 H new ATOM 0 HB3 MET A 28 11.974 29.152 28.397 1.00 0.00 H new ATOM 0 HG2 MET A 28 13.149 27.238 28.694 1.00 0.00 H new ATOM 0 HG3 MET A 28 11.834 26.449 27.846 1.00 0.00 H new ATOM 0 HE1 MET A 28 14.217 24.395 26.083 1.00 0.00 H new ATOM 0 HE2 MET A 28 12.798 24.631 27.130 1.00 0.00 H new ATOM 0 HE3 MET A 28 12.656 24.871 25.373 1.00 0.00 H new ATOM 446 N ALA A 29 8.895 30.136 27.404 1.00 0.00 N ATOM 447 CA ALA A 29 8.243 31.431 27.232 1.00 0.00 C ATOM 448 C ALA A 29 8.143 32.148 28.571 1.00 0.00 C ATOM 449 O ALA A 29 8.545 33.304 28.703 1.00 0.00 O ATOM 450 CB ALA A 29 6.850 31.236 26.642 1.00 0.00 C ATOM 0 H ALA A 29 8.467 29.541 28.113 1.00 0.00 H new ATOM 0 HA ALA A 29 8.838 32.038 26.550 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.369 32.206 26.516 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.931 30.743 25.673 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.253 30.620 27.314 1.00 0.00 H new ATOM 456 N GLU A 30 7.604 31.449 29.564 1.00 0.00 N ATOM 457 CA GLU A 30 7.447 32.001 30.905 1.00 0.00 C ATOM 458 C GLU A 30 7.341 30.870 31.917 1.00 0.00 C ATOM 459 O GLU A 30 7.195 29.707 31.543 1.00 0.00 O ATOM 460 CB GLU A 30 6.197 32.874 30.968 1.00 0.00 C ATOM 461 CG GLU A 30 6.557 34.336 31.220 1.00 0.00 C ATOM 462 CD GLU A 30 7.033 34.521 32.655 1.00 0.00 C ATOM 463 OE1 GLU A 30 6.341 34.043 33.579 1.00 0.00 O ATOM 464 OE2 GLU A 30 8.097 35.144 32.853 1.00 0.00 O ATOM 0 H GLU A 30 7.266 30.492 29.464 1.00 0.00 H new ATOM 0 HA GLU A 30 8.317 32.613 31.142 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.643 32.789 30.033 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.540 32.517 31.761 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.337 34.651 30.527 1.00 0.00 H new ATOM 0 HG3 GLU A 30 5.690 34.969 31.032 1.00 0.00 H new ATOM 471 N VAL A 31 7.415 31.209 33.198 1.00 0.00 N ATOM 472 CA VAL A 31 7.325 30.203 34.250 1.00 0.00 C ATOM 473 C VAL A 31 6.726 30.797 35.514 1.00 0.00 C ATOM 474 O VAL A 31 7.022 31.932 35.887 1.00 0.00 O ATOM 475 CB VAL A 31 8.703 29.615 34.549 1.00 0.00 C ATOM 476 CG1 VAL A 31 8.564 28.296 35.303 1.00 0.00 C ATOM 477 CG2 VAL A 31 9.500 29.410 33.261 1.00 0.00 C ATOM 0 H VAL A 31 7.536 32.165 33.532 1.00 0.00 H new ATOM 0 HA VAL A 31 6.671 29.405 33.899 1.00 0.00 H new ATOM 0 HB VAL A 31 9.246 30.322 35.176 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.554 27.889 35.509 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.039 28.468 36.243 1.00 0.00 H new ATOM 0 HG13 VAL A 31 7.999 27.588 34.696 1.00 0.00 H new ATOM 0 HG21 VAL A 31 10.477 28.991 33.501 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.962 28.725 32.605 1.00 0.00 H new ATOM 0 HG23 VAL A 31 9.630 30.368 32.757 1.00 0.00 H new ATOM 487 N GLU A 32 5.867 30.018 36.157 1.00 0.00 N ATOM 488 CA GLU A 32 5.197 30.430 37.359 1.00 0.00 C ATOM 489 C GLU A 32 5.290 29.320 38.404 1.00 0.00 C ATOM 490 O GLU A 32 5.266 28.138 38.062 1.00 0.00 O ATOM 491 CB GLU A 32 3.750 30.724 37.008 1.00 0.00 C ATOM 492 CG GLU A 32 2.951 31.031 38.251 1.00 0.00 C ATOM 493 CD GLU A 32 2.030 32.221 38.009 1.00 0.00 C ATOM 494 OE1 GLU A 32 2.513 33.254 37.499 1.00 0.00 O ATOM 495 OE2 GLU A 32 0.828 32.118 38.332 1.00 0.00 O ATOM 0 H GLU A 32 5.621 29.078 35.848 1.00 0.00 H new ATOM 0 HA GLU A 32 5.661 31.323 37.777 1.00 0.00 H new ATOM 0 HB2 GLU A 32 3.702 31.569 36.321 1.00 0.00 H new ATOM 0 HB3 GLU A 32 3.315 29.868 36.492 1.00 0.00 H new ATOM 0 HG2 GLU A 32 2.362 30.159 38.537 1.00 0.00 H new ATOM 0 HG3 GLU A 32 3.625 31.247 39.080 1.00 0.00 H new ATOM 502 N LEU A 33 5.408 29.699 39.672 1.00 0.00 N ATOM 503 CA LEU A 33 5.519 28.721 40.747 1.00 0.00 C ATOM 504 C LEU A 33 4.403 28.888 41.768 1.00 0.00 C ATOM 505 O LEU A 33 3.600 29.818 41.694 1.00 0.00 O ATOM 506 CB LEU A 33 6.869 28.866 41.439 1.00 0.00 C ATOM 507 CG LEU A 33 7.772 27.685 41.115 1.00 0.00 C ATOM 508 CD1 LEU A 33 9.184 27.927 41.639 1.00 0.00 C ATOM 509 CD2 LEU A 33 7.198 26.396 41.700 1.00 0.00 C ATOM 0 H LEU A 33 5.429 30.671 39.979 1.00 0.00 H new ATOM 0 HA LEU A 33 5.432 27.727 40.307 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.347 29.793 41.122 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.725 28.934 42.517 1.00 0.00 H new ATOM 0 HG LEU A 33 7.822 27.580 40.031 1.00 0.00 H new ATOM 0 HD11 LEU A 33 9.814 27.071 41.397 1.00 0.00 H new ATOM 0 HD12 LEU A 33 9.596 28.823 41.175 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.153 28.060 42.720 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.857 25.562 41.458 1.00 0.00 H new ATOM 0 HD22 LEU A 33 7.117 26.492 42.783 1.00 0.00 H new ATOM 0 HD23 LEU A 33 6.210 26.213 41.277 1.00 0.00 H new ATOM 521 N ARG A 34 4.377 27.971 42.726 1.00 0.00 N ATOM 522 CA ARG A 34 3.385 27.979 43.792 1.00 0.00 C ATOM 523 C ARG A 34 3.816 27.007 44.883 1.00 0.00 C ATOM 524 O ARG A 34 4.665 26.145 44.652 1.00 0.00 O ATOM 525 CB ARG A 34 2.016 27.584 43.242 1.00 0.00 C ATOM 526 CG ARG A 34 0.983 27.459 44.361 1.00 0.00 C ATOM 527 CD ARG A 34 -0.411 27.194 43.801 1.00 0.00 C ATOM 528 NE ARG A 34 -1.305 26.739 44.862 1.00 0.00 N ATOM 529 CZ ARG A 34 -2.129 25.712 44.688 1.00 0.00 C ATOM 530 NH1 ARG A 34 -1.703 24.614 44.077 1.00 0.00 N ATOM 531 NH2 ARG A 34 -3.379 25.780 45.123 1.00 0.00 N ATOM 0 H ARG A 34 5.043 27.201 42.786 1.00 0.00 H new ATOM 0 HA ARG A 34 3.310 28.983 44.210 1.00 0.00 H new ATOM 0 HB2 ARG A 34 1.684 28.329 42.519 1.00 0.00 H new ATOM 0 HB3 ARG A 34 2.095 26.636 42.710 1.00 0.00 H new ATOM 0 HG2 ARG A 34 1.267 26.649 45.033 1.00 0.00 H new ATOM 0 HG3 ARG A 34 0.972 28.375 44.952 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.807 28.103 43.347 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.357 26.442 43.014 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.296 27.222 45.760 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.742 24.558 43.740 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.337 23.826 43.944 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.710 26.623 45.593 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -4.010 24.990 44.988 1.00 0.00 H new ATOM 545 N GLU A 35 3.234 27.140 46.067 1.00 0.00 N ATOM 546 CA GLU A 35 3.571 26.261 47.178 1.00 0.00 C ATOM 547 C GLU A 35 2.328 25.520 47.638 1.00 0.00 C ATOM 548 O GLU A 35 2.069 24.400 47.199 1.00 0.00 O ATOM 549 CB GLU A 35 4.168 27.069 48.328 1.00 0.00 C ATOM 550 CG GLU A 35 5.580 27.546 47.999 1.00 0.00 C ATOM 551 CD GLU A 35 6.070 28.517 49.066 1.00 0.00 C ATOM 552 OE1 GLU A 35 5.703 29.709 49.000 1.00 0.00 O ATOM 553 OE2 GLU A 35 6.819 28.083 49.967 1.00 0.00 O ATOM 0 H GLU A 35 2.529 27.845 46.282 1.00 0.00 H new ATOM 0 HA GLU A 35 4.314 25.535 46.848 1.00 0.00 H new ATOM 0 HB2 GLU A 35 3.532 27.929 48.539 1.00 0.00 H new ATOM 0 HB3 GLU A 35 4.190 26.459 49.231 1.00 0.00 H new ATOM 0 HG2 GLU A 35 6.255 26.692 47.937 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.589 28.032 47.023 1.00 0.00 H new ATOM 560 N HIS A 36 1.552 26.155 48.510 1.00 0.00 N ATOM 561 CA HIS A 36 0.326 25.556 49.016 1.00 0.00 C ATOM 562 C HIS A 36 -0.356 26.498 49.998 1.00 0.00 C ATOM 563 O HIS A 36 -1.519 26.862 49.820 1.00 0.00 O ATOM 564 CB HIS A 36 0.631 24.226 49.701 1.00 0.00 C ATOM 565 CG HIS A 36 -0.600 23.422 49.982 1.00 0.00 C ATOM 566 ND1 HIS A 36 -1.758 23.540 49.258 1.00 0.00 N ATOM 567 CD2 HIS A 36 -0.868 22.475 50.918 1.00 0.00 C ATOM 568 CE1 HIS A 36 -2.682 22.724 49.711 1.00 0.00 C ATOM 569 NE2 HIS A 36 -2.172 22.053 50.731 1.00 0.00 N ATOM 0 H HIS A 36 1.752 27.084 48.880 1.00 0.00 H new ATOM 0 HA HIS A 36 -0.344 25.376 48.175 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.303 23.644 49.071 1.00 0.00 H new ATOM 0 HB3 HIS A 36 1.156 24.417 50.637 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -0.185 22.116 51.673 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -3.683 22.619 49.319 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -2.657 21.346 51.284 1.00 0.00 H new ATOM 577 N GLY A 37 0.375 26.890 51.037 1.00 0.00 N ATOM 578 CA GLY A 37 -0.157 27.792 52.052 1.00 0.00 C ATOM 579 C GLY A 37 0.439 29.185 51.897 1.00 0.00 C ATOM 580 O GLY A 37 1.032 29.725 52.830 1.00 0.00 O ATOM 0 H GLY A 37 1.339 26.597 51.198 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.242 27.844 51.967 1.00 0.00 H new ATOM 0 HA3 GLY A 37 0.067 27.403 53.045 1.00 0.00 H new ATOM 584 N SER A 38 0.277 29.762 50.710 1.00 0.00 N ATOM 585 CA SER A 38 0.801 31.094 50.427 1.00 0.00 C ATOM 586 C SER A 38 -0.278 31.966 49.797 1.00 0.00 C ATOM 587 O SER A 38 -1.469 31.674 49.906 1.00 0.00 O ATOM 588 CB SER A 38 2.001 30.992 49.491 1.00 0.00 C ATOM 589 OG SER A 38 2.623 32.259 49.338 1.00 0.00 O ATOM 0 H SER A 38 -0.213 29.328 49.928 1.00 0.00 H new ATOM 0 HA SER A 38 1.117 31.552 51.364 1.00 0.00 H new ATOM 0 HB2 SER A 38 2.719 30.274 49.888 1.00 0.00 H new ATOM 0 HB3 SER A 38 1.680 30.618 48.519 1.00 0.00 H new ATOM 0 HG SER A 38 2.525 32.774 50.166 1.00 0.00 H new ATOM 595 N ASP A 39 0.145 33.039 49.136 1.00 0.00 N ATOM 596 CA ASP A 39 -0.785 33.956 48.487 1.00 0.00 C ATOM 597 C ASP A 39 -1.097 33.480 47.074 1.00 0.00 C ATOM 598 O ASP A 39 -0.967 34.236 46.111 1.00 0.00 O ATOM 599 CB ASP A 39 -0.187 35.358 48.445 1.00 0.00 C ATOM 600 CG ASP A 39 -1.225 36.386 48.875 1.00 0.00 C ATOM 601 OD1 ASP A 39 -2.416 36.203 48.547 1.00 0.00 O ATOM 602 OD2 ASP A 39 -0.846 37.374 49.539 1.00 0.00 O ATOM 0 H ASP A 39 1.127 33.295 49.036 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.712 33.980 49.060 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.681 35.411 49.102 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.162 35.582 47.437 1.00 0.00 H new ATOM 607 N GLU A 40 -1.505 32.221 46.956 1.00 0.00 N ATOM 608 CA GLU A 40 -1.832 31.640 45.659 1.00 0.00 C ATOM 609 C GLU A 40 -0.580 31.527 44.802 1.00 0.00 C ATOM 610 O GLU A 40 0.527 31.806 45.263 1.00 0.00 O ATOM 611 CB GLU A 40 -2.874 32.499 44.947 1.00 0.00 C ATOM 612 CG GLU A 40 -4.072 31.661 44.507 1.00 0.00 C ATOM 613 CD GLU A 40 -5.027 32.503 43.672 1.00 0.00 C ATOM 614 OE1 GLU A 40 -5.738 33.349 44.254 1.00 0.00 O ATOM 615 OE2 GLU A 40 -5.064 32.314 42.438 1.00 0.00 O ATOM 0 H GLU A 40 -1.617 31.583 47.744 1.00 0.00 H new ATOM 0 HA GLU A 40 -2.242 30.642 45.817 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -3.208 33.296 45.612 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.423 32.978 44.078 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.731 30.803 43.928 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.591 31.269 45.382 1.00 0.00 H new ATOM 622 N TRP A 41 -0.762 31.114 43.553 1.00 0.00 N ATOM 623 CA TRP A 41 0.353 30.958 42.622 1.00 0.00 C ATOM 624 C TRP A 41 1.250 32.191 42.643 1.00 0.00 C ATOM 625 O TRP A 41 0.770 33.320 42.750 1.00 0.00 O ATOM 626 CB TRP A 41 -0.178 30.732 41.208 1.00 0.00 C ATOM 627 CG TRP A 41 -0.803 29.383 41.032 1.00 0.00 C ATOM 628 CD1 TRP A 41 -2.109 29.046 41.263 1.00 0.00 C ATOM 629 CD2 TRP A 41 -0.147 28.179 40.582 1.00 0.00 C ATOM 630 NE1 TRP A 41 -2.278 27.720 40.981 1.00 0.00 N ATOM 631 CE2 TRP A 41 -1.109 27.161 40.565 1.00 0.00 C ATOM 632 CE3 TRP A 41 1.156 27.866 40.193 1.00 0.00 C ATOM 633 CZ2 TRP A 41 -0.803 25.866 40.178 1.00 0.00 C ATOM 634 CZ3 TRP A 41 1.470 26.572 39.805 1.00 0.00 C ATOM 635 CH2 TRP A 41 0.498 25.580 39.797 1.00 0.00 C ATOM 0 H TRP A 41 -1.673 30.880 43.159 1.00 0.00 H new ATOM 0 HA TRP A 41 0.941 30.094 42.931 1.00 0.00 H new ATOM 0 HB2 TRP A 41 -0.914 31.502 40.974 1.00 0.00 H new ATOM 0 HB3 TRP A 41 0.639 30.845 40.496 1.00 0.00 H new ATOM 0 HD1 TRP A 41 -2.880 29.718 41.611 1.00 0.00 H new ATOM 0 HE1 TRP A 41 -3.161 27.217 41.070 1.00 0.00 H new ATOM 0 HE3 TRP A 41 1.919 28.630 40.194 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 -1.561 25.097 40.173 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 2.480 26.333 39.506 1.00 0.00 H new ATOM 0 HH2 TRP A 41 0.758 24.577 39.491 1.00 0.00 H new ATOM 646 N VAL A 42 2.556 31.966 42.530 1.00 0.00 N ATOM 647 CA VAL A 42 3.528 33.053 42.524 1.00 0.00 C ATOM 648 C VAL A 42 4.073 33.231 41.105 1.00 0.00 C ATOM 649 O VAL A 42 3.324 33.100 40.143 1.00 0.00 O ATOM 650 CB VAL A 42 4.647 32.744 43.521 1.00 0.00 C ATOM 651 CG1 VAL A 42 4.067 32.467 44.905 1.00 0.00 C ATOM 652 CG2 VAL A 42 5.486 31.560 43.045 1.00 0.00 C ATOM 0 H VAL A 42 2.966 31.036 42.441 1.00 0.00 H new ATOM 0 HA VAL A 42 3.055 33.987 42.829 1.00 0.00 H new ATOM 0 HB VAL A 42 5.297 33.617 43.586 1.00 0.00 H new ATOM 0 HG11 VAL A 42 4.876 32.249 45.602 1.00 0.00 H new ATOM 0 HG12 VAL A 42 3.516 33.342 45.251 1.00 0.00 H new ATOM 0 HG13 VAL A 42 3.393 31.612 44.853 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.275 31.359 43.769 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.851 30.680 42.947 1.00 0.00 H new ATOM 0 HG23 VAL A 42 5.932 31.795 42.079 1.00 0.00 H new ATOM 662 N ALA A 43 5.363 33.531 40.962 1.00 0.00 N ATOM 663 CA ALA A 43 5.956 33.713 39.643 1.00 0.00 C ATOM 664 C ALA A 43 7.458 33.462 39.710 1.00 0.00 C ATOM 665 O ALA A 43 8.145 34.002 40.577 1.00 0.00 O ATOM 666 CB ALA A 43 5.687 35.129 39.150 1.00 0.00 C ATOM 0 H ALA A 43 6.012 33.652 41.739 1.00 0.00 H new ATOM 0 HA ALA A 43 5.509 33.002 38.948 1.00 0.00 H new ATOM 0 HB1 ALA A 43 6.132 35.262 38.164 1.00 0.00 H new ATOM 0 HB2 ALA A 43 4.611 35.295 39.088 1.00 0.00 H new ATOM 0 HB3 ALA A 43 6.125 35.846 39.845 1.00 0.00 H new ATOM 672 N MET A 44 7.965 32.641 38.797 1.00 0.00 N ATOM 673 CA MET A 44 9.389 32.322 38.764 1.00 0.00 C ATOM 674 C MET A 44 10.203 33.551 38.381 1.00 0.00 C ATOM 675 O MET A 44 9.649 34.627 38.155 1.00 0.00 O ATOM 676 CB MET A 44 9.649 31.194 37.771 1.00 0.00 C ATOM 677 CG MET A 44 10.059 29.911 38.489 1.00 0.00 C ATOM 678 SD MET A 44 11.790 29.922 38.981 1.00 0.00 S ATOM 679 CE MET A 44 11.892 28.379 39.902 1.00 0.00 C ATOM 0 H MET A 44 7.413 32.185 38.071 1.00 0.00 H new ATOM 0 HA MET A 44 9.695 31.999 39.759 1.00 0.00 H new ATOM 0 HB2 MET A 44 8.751 31.012 37.180 1.00 0.00 H new ATOM 0 HB3 MET A 44 10.434 31.492 37.076 1.00 0.00 H new ATOM 0 HG2 MET A 44 9.434 29.777 39.372 1.00 0.00 H new ATOM 0 HG3 MET A 44 9.875 29.058 37.836 1.00 0.00 H new ATOM 0 HE1 MET A 44 12.835 27.881 39.675 1.00 0.00 H new ATOM 0 HE2 MET A 44 11.841 28.589 40.970 1.00 0.00 H new ATOM 0 HE3 MET A 44 11.062 27.731 39.619 1.00 0.00 H new ATOM 689 N THR A 45 11.520 33.386 38.312 1.00 0.00 N ATOM 690 CA THR A 45 12.412 34.486 37.959 1.00 0.00 C ATOM 691 C THR A 45 13.669 33.957 37.281 1.00 0.00 C ATOM 692 O THR A 45 14.387 33.128 37.841 1.00 0.00 O ATOM 693 CB THR A 45 12.788 35.274 39.210 1.00 0.00 C ATOM 694 OG1 THR A 45 11.620 35.789 39.829 1.00 0.00 O ATOM 695 CG2 THR A 45 13.743 36.413 38.866 1.00 0.00 C ATOM 0 H THR A 45 11.994 32.502 38.496 1.00 0.00 H new ATOM 0 HA THR A 45 11.892 35.145 37.263 1.00 0.00 H new ATOM 0 HB THR A 45 13.292 34.600 39.902 1.00 0.00 H new ATOM 0 HG1 THR A 45 11.870 36.292 40.632 1.00 0.00 H new ATOM 0 HG21 THR A 45 13.997 36.961 39.773 1.00 0.00 H new ATOM 0 HG22 THR A 45 14.651 36.005 38.422 1.00 0.00 H new ATOM 0 HG23 THR A 45 13.264 37.088 38.157 1.00 0.00 H new ATOM 703 N LYS A 46 13.931 34.444 36.073 1.00 0.00 N ATOM 704 CA LYS A 46 15.106 34.022 35.314 1.00 0.00 C ATOM 705 C LYS A 46 16.330 34.821 35.744 1.00 0.00 C ATOM 706 O LYS A 46 16.547 35.941 35.281 1.00 0.00 O ATOM 707 CB LYS A 46 14.862 34.204 33.816 1.00 0.00 C ATOM 708 CG LYS A 46 14.256 35.572 33.506 1.00 0.00 C ATOM 709 CD LYS A 46 14.371 35.905 32.021 1.00 0.00 C ATOM 710 CE LYS A 46 15.762 36.429 31.677 1.00 0.00 C ATOM 711 NZ LYS A 46 15.699 37.806 31.112 1.00 0.00 N ATOM 0 H LYS A 46 13.347 35.131 35.597 1.00 0.00 H new ATOM 0 HA LYS A 46 15.288 32.966 35.516 1.00 0.00 H new ATOM 0 HB2 LYS A 46 15.803 34.092 33.277 1.00 0.00 H new ATOM 0 HB3 LYS A 46 14.194 33.420 33.458 1.00 0.00 H new ATOM 0 HG2 LYS A 46 13.207 35.584 33.803 1.00 0.00 H new ATOM 0 HG3 LYS A 46 14.762 36.338 34.093 1.00 0.00 H new ATOM 0 HD2 LYS A 46 14.159 35.015 31.429 1.00 0.00 H new ATOM 0 HD3 LYS A 46 13.623 36.651 31.754 1.00 0.00 H new ATOM 0 HE2 LYS A 46 16.384 36.429 32.572 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.237 35.761 30.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 16.660 38.134 30.888 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 15.125 37.799 30.245 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 15.268 38.447 31.808 1.00 0.00 H new ATOM 725 N GLY A 47 17.130 34.241 36.633 1.00 0.00 N ATOM 726 CA GLY A 47 18.333 34.904 37.124 1.00 0.00 C ATOM 727 C GLY A 47 19.424 33.891 37.448 1.00 0.00 C ATOM 728 O GLY A 47 20.316 34.163 38.251 1.00 0.00 O ATOM 0 H GLY A 47 16.967 33.315 37.028 1.00 0.00 H new ATOM 0 HA2 GLY A 47 18.696 35.607 36.374 1.00 0.00 H new ATOM 0 HA3 GLY A 47 18.094 35.484 38.016 1.00 0.00 H new ATOM 732 N GLU A 48 19.350 32.722 36.820 1.00 0.00 N ATOM 733 CA GLU A 48 20.335 31.671 37.044 1.00 0.00 C ATOM 734 C GLU A 48 21.349 31.649 35.908 1.00 0.00 C ATOM 735 O GLU A 48 22.516 31.313 36.111 1.00 0.00 O ATOM 736 CB GLU A 48 19.637 30.320 37.143 1.00 0.00 C ATOM 737 CG GLU A 48 19.654 29.792 38.574 1.00 0.00 C ATOM 738 CD GLU A 48 21.084 29.511 39.016 1.00 0.00 C ATOM 739 OE1 GLU A 48 21.917 29.165 38.152 1.00 0.00 O ATOM 740 OE2 GLU A 48 21.370 29.639 40.225 1.00 0.00 O ATOM 0 H GLU A 48 18.618 32.479 36.152 1.00 0.00 H new ATOM 0 HA GLU A 48 20.859 31.873 37.978 1.00 0.00 H new ATOM 0 HB2 GLU A 48 18.607 30.414 36.800 1.00 0.00 H new ATOM 0 HB3 GLU A 48 20.128 29.605 36.483 1.00 0.00 H new ATOM 0 HG2 GLU A 48 19.196 30.520 39.243 1.00 0.00 H new ATOM 0 HG3 GLU A 48 19.060 28.881 38.640 1.00 0.00 H new ATOM 747 N GLY A 49 20.897 32.012 34.712 1.00 0.00 N ATOM 748 CA GLY A 49 21.764 32.036 33.539 1.00 0.00 C ATOM 749 C GLY A 49 21.627 30.748 32.739 1.00 0.00 C ATOM 750 O GLY A 49 22.560 30.328 32.055 1.00 0.00 O ATOM 0 H GLY A 49 19.934 32.294 34.529 1.00 0.00 H new ATOM 0 HA2 GLY A 49 21.509 32.889 32.910 1.00 0.00 H new ATOM 0 HA3 GLY A 49 22.800 32.168 33.850 1.00 0.00 H new ATOM 754 N GLY A 50 20.457 30.123 32.827 1.00 0.00 N ATOM 755 CA GLY A 50 20.197 28.880 32.109 1.00 0.00 C ATOM 756 C GLY A 50 18.932 28.209 32.629 1.00 0.00 C ATOM 757 O GLY A 50 18.193 27.583 31.870 1.00 0.00 O ATOM 0 H GLY A 50 19.674 30.457 33.389 1.00 0.00 H new ATOM 0 HA2 GLY A 50 20.093 29.085 31.043 1.00 0.00 H new ATOM 0 HA3 GLY A 50 21.045 28.205 32.223 1.00 0.00 H new ATOM 761 N VAL A 51 18.688 28.343 33.929 1.00 0.00 N ATOM 762 CA VAL A 51 17.510 27.748 34.553 1.00 0.00 C ATOM 763 C VAL A 51 16.722 28.802 35.318 1.00 0.00 C ATOM 764 O VAL A 51 17.082 29.979 35.324 1.00 0.00 O ATOM 765 CB VAL A 51 17.932 26.630 35.501 1.00 0.00 C ATOM 766 CG1 VAL A 51 18.338 25.386 34.713 1.00 0.00 C ATOM 767 CG2 VAL A 51 19.075 27.094 36.399 1.00 0.00 C ATOM 0 H VAL A 51 19.290 28.858 34.571 1.00 0.00 H new ATOM 0 HA VAL A 51 16.874 27.335 33.770 1.00 0.00 H new ATOM 0 HB VAL A 51 17.082 26.374 36.133 1.00 0.00 H new ATOM 0 HG11 VAL A 51 18.636 24.598 35.405 1.00 0.00 H new ATOM 0 HG12 VAL A 51 17.494 25.043 34.114 1.00 0.00 H new ATOM 0 HG13 VAL A 51 19.174 25.628 34.057 1.00 0.00 H new ATOM 0 HG21 VAL A 51 19.363 26.284 37.069 1.00 0.00 H new ATOM 0 HG22 VAL A 51 19.929 27.377 35.784 1.00 0.00 H new ATOM 0 HG23 VAL A 51 18.750 27.953 36.987 1.00 0.00 H new ATOM 777 N TRP A 52 15.640 28.372 35.960 1.00 0.00 N ATOM 778 CA TRP A 52 14.792 29.279 36.729 1.00 0.00 C ATOM 779 C TRP A 52 14.923 28.991 38.219 1.00 0.00 C ATOM 780 O TRP A 52 15.042 27.837 38.631 1.00 0.00 O ATOM 781 CB TRP A 52 13.334 29.125 36.299 1.00 0.00 C ATOM 782 CG TRP A 52 13.183 28.869 34.829 1.00 0.00 C ATOM 783 CD1 TRP A 52 12.502 27.839 34.245 1.00 0.00 C ATOM 784 CD2 TRP A 52 13.733 29.656 33.752 1.00 0.00 C ATOM 785 NE1 TRP A 52 12.603 27.958 32.887 1.00 0.00 N ATOM 786 CE2 TRP A 52 13.342 29.050 32.552 1.00 0.00 C ATOM 787 CE3 TRP A 52 14.513 30.811 33.688 1.00 0.00 C ATOM 788 CZ2 TRP A 52 13.707 29.560 31.317 1.00 0.00 C ATOM 789 CZ3 TRP A 52 14.882 31.328 32.454 1.00 0.00 C ATOM 790 CH2 TRP A 52 14.481 30.706 31.278 1.00 0.00 C ATOM 0 H TRP A 52 15.329 27.401 35.963 1.00 0.00 H new ATOM 0 HA TRP A 52 15.115 30.302 36.538 1.00 0.00 H new ATOM 0 HB2 TRP A 52 12.882 28.303 36.854 1.00 0.00 H new ATOM 0 HB3 TRP A 52 12.785 30.029 36.564 1.00 0.00 H new ATOM 0 HD1 TRP A 52 11.971 27.059 34.770 1.00 0.00 H new ATOM 0 HE1 TRP A 52 12.182 27.316 32.216 1.00 0.00 H new ATOM 0 HE3 TRP A 52 14.829 31.302 34.597 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 13.394 29.074 30.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 15.486 32.222 32.407 1.00 0.00 H new ATOM 0 HH2 TRP A 52 14.776 31.121 30.325 1.00 0.00 H new ATOM 801 N THR A 53 14.901 30.048 39.025 1.00 0.00 N ATOM 802 CA THR A 53 15.017 29.912 40.473 1.00 0.00 C ATOM 803 C THR A 53 13.972 30.772 41.170 1.00 0.00 C ATOM 804 O THR A 53 13.540 31.795 40.637 1.00 0.00 O ATOM 805 CB THR A 53 16.415 30.324 40.925 1.00 0.00 C ATOM 806 OG1 THR A 53 16.924 31.333 40.066 1.00 0.00 O ATOM 807 CG2 THR A 53 17.355 29.123 40.936 1.00 0.00 C ATOM 0 H THR A 53 14.804 31.010 38.699 1.00 0.00 H new ATOM 0 HA THR A 53 14.848 28.869 40.741 1.00 0.00 H new ATOM 0 HB THR A 53 16.348 30.717 41.939 1.00 0.00 H new ATOM 0 HG1 THR A 53 17.745 31.706 40.450 1.00 0.00 H new ATOM 0 HG21 THR A 53 18.346 29.440 41.261 1.00 0.00 H new ATOM 0 HG22 THR A 53 16.972 28.368 41.622 1.00 0.00 H new ATOM 0 HG23 THR A 53 17.420 28.702 39.933 1.00 0.00 H new ATOM 815 N PHE A 54 13.566 30.352 42.363 1.00 0.00 N ATOM 816 CA PHE A 54 12.567 31.085 43.133 1.00 0.00 C ATOM 817 C PHE A 54 12.838 30.945 44.625 1.00 0.00 C ATOM 818 O PHE A 54 13.335 29.916 45.082 1.00 0.00 O ATOM 819 CB PHE A 54 11.172 30.562 42.805 1.00 0.00 C ATOM 820 CG PHE A 54 10.079 31.306 43.531 1.00 0.00 C ATOM 821 CD1 PHE A 54 9.669 32.550 43.080 1.00 0.00 C ATOM 822 CD2 PHE A 54 9.484 30.746 44.648 1.00 0.00 C ATOM 823 CE1 PHE A 54 8.665 33.232 43.747 1.00 0.00 C ATOM 824 CE2 PHE A 54 8.480 31.428 45.315 1.00 0.00 C ATOM 825 CZ PHE A 54 8.070 32.671 44.865 1.00 0.00 C ATOM 0 H PHE A 54 13.913 29.508 42.818 1.00 0.00 H new ATOM 0 HA PHE A 54 12.625 32.140 42.866 1.00 0.00 H new ATOM 0 HB2 PHE A 54 11.004 30.638 41.731 1.00 0.00 H new ATOM 0 HB3 PHE A 54 11.117 29.504 43.062 1.00 0.00 H new ATOM 0 HD1 PHE A 54 10.132 32.988 42.208 1.00 0.00 H new ATOM 0 HD2 PHE A 54 9.803 29.776 45.000 1.00 0.00 H new ATOM 0 HE1 PHE A 54 8.346 34.202 43.395 1.00 0.00 H new ATOM 0 HE2 PHE A 54 8.017 30.990 46.187 1.00 0.00 H new ATOM 0 HZ PHE A 54 7.287 33.203 45.385 1.00 0.00 H new ATOM 835 N ASP A 55 12.507 31.987 45.380 1.00 0.00 N ATOM 836 CA ASP A 55 12.712 31.984 46.823 1.00 0.00 C ATOM 837 C ASP A 55 11.448 31.525 47.537 1.00 0.00 C ATOM 838 O ASP A 55 10.389 32.137 47.400 1.00 0.00 O ATOM 839 CB ASP A 55 13.098 33.382 47.295 1.00 0.00 C ATOM 840 CG ASP A 55 12.042 34.393 46.867 1.00 0.00 C ATOM 841 OD1 ASP A 55 12.114 34.877 45.718 1.00 0.00 O ATOM 842 OD2 ASP A 55 11.145 34.697 47.681 1.00 0.00 O ATOM 0 H ASP A 55 12.095 32.846 45.015 1.00 0.00 H new ATOM 0 HA ASP A 55 13.519 31.290 47.061 1.00 0.00 H new ATOM 0 HB2 ASP A 55 13.202 33.391 48.380 1.00 0.00 H new ATOM 0 HB3 ASP A 55 14.067 33.659 46.879 1.00 0.00 H new ATOM 847 N SER A 56 11.565 30.443 48.298 1.00 0.00 N ATOM 848 CA SER A 56 10.429 29.899 49.035 1.00 0.00 C ATOM 849 C SER A 56 10.880 29.372 50.391 1.00 0.00 C ATOM 850 O SER A 56 12.071 29.363 50.700 1.00 0.00 O ATOM 851 CB SER A 56 9.778 28.776 48.232 1.00 0.00 C ATOM 852 OG SER A 56 8.613 29.247 47.572 1.00 0.00 O ATOM 0 H SER A 56 12.435 29.925 48.421 1.00 0.00 H new ATOM 0 HA SER A 56 9.701 30.695 49.193 1.00 0.00 H new ATOM 0 HB2 SER A 56 10.486 28.387 47.500 1.00 0.00 H new ATOM 0 HB3 SER A 56 9.519 27.950 48.895 1.00 0.00 H new ATOM 0 HG SER A 56 8.860 29.623 46.701 1.00 0.00 H new ATOM 858 N GLU A 57 9.920 28.932 51.197 1.00 0.00 N ATOM 859 CA GLU A 57 10.216 28.398 52.522 1.00 0.00 C ATOM 860 C GLU A 57 9.494 27.075 52.723 1.00 0.00 C ATOM 861 O GLU A 57 10.126 26.028 52.853 1.00 0.00 O ATOM 862 CB GLU A 57 9.789 29.396 53.595 1.00 0.00 C ATOM 863 CG GLU A 57 10.437 30.759 53.370 1.00 0.00 C ATOM 864 CD GLU A 57 9.415 31.870 53.571 1.00 0.00 C ATOM 865 OE1 GLU A 57 9.172 32.252 54.735 1.00 0.00 O ATOM 866 OE2 GLU A 57 8.858 32.356 52.564 1.00 0.00 O ATOM 0 H GLU A 57 8.929 28.934 50.956 1.00 0.00 H new ATOM 0 HA GLU A 57 11.290 28.230 52.604 1.00 0.00 H new ATOM 0 HB2 GLU A 57 8.704 29.500 53.587 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.066 29.017 54.579 1.00 0.00 H new ATOM 0 HG2 GLU A 57 11.269 30.892 54.061 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.848 30.812 52.362 1.00 0.00 H new ATOM 873 N GLU A 58 8.165 27.132 52.733 1.00 0.00 N ATOM 874 CA GLU A 58 7.337 25.943 52.901 1.00 0.00 C ATOM 875 C GLU A 58 7.807 25.098 54.080 1.00 0.00 C ATOM 876 O GLU A 58 8.797 24.374 53.979 1.00 0.00 O ATOM 877 CB GLU A 58 7.374 25.109 51.627 1.00 0.00 C ATOM 878 CG GLU A 58 6.059 25.223 50.868 1.00 0.00 C ATOM 879 CD GLU A 58 6.233 24.740 49.434 1.00 0.00 C ATOM 880 OE1 GLU A 58 7.389 24.656 48.970 1.00 0.00 O ATOM 881 OE2 GLU A 58 5.212 24.447 48.776 1.00 0.00 O ATOM 0 H GLU A 58 7.636 27.997 52.626 1.00 0.00 H new ATOM 0 HA GLU A 58 6.316 26.268 53.103 1.00 0.00 H new ATOM 0 HB2 GLU A 58 8.195 25.442 50.993 1.00 0.00 H new ATOM 0 HB3 GLU A 58 7.566 24.065 51.876 1.00 0.00 H new ATOM 0 HG2 GLU A 58 5.291 24.632 51.367 1.00 0.00 H new ATOM 0 HG3 GLU A 58 5.718 26.258 50.871 1.00 0.00 H new ATOM 888 N PRO A 59 7.081 25.147 55.210 1.00 0.00 N ATOM 889 CA PRO A 59 7.419 24.349 56.397 1.00 0.00 C ATOM 890 C PRO A 59 7.301 22.853 56.113 1.00 0.00 C ATOM 891 O PRO A 59 7.831 22.026 56.855 1.00 0.00 O ATOM 892 CB PRO A 59 6.400 24.800 57.437 1.00 0.00 C ATOM 893 CG PRO A 59 5.252 25.315 56.648 1.00 0.00 C ATOM 894 CD PRO A 59 5.859 25.939 55.425 1.00 0.00 C ATOM 0 HA PRO A 59 8.448 24.497 56.725 1.00 0.00 H new ATOM 0 HB2 PRO A 59 6.099 23.973 58.080 1.00 0.00 H new ATOM 0 HB3 PRO A 59 6.813 25.573 58.085 1.00 0.00 H new ATOM 0 HG2 PRO A 59 4.567 24.511 56.380 1.00 0.00 H new ATOM 0 HG3 PRO A 59 4.679 26.045 57.219 1.00 0.00 H new ATOM 0 HD2 PRO A 59 5.187 25.882 54.569 1.00 0.00 H new ATOM 0 HD3 PRO A 59 6.086 26.993 55.582 1.00 0.00 H new ATOM 902 N LEU A 60 6.608 22.517 55.025 1.00 0.00 N ATOM 903 CA LEU A 60 6.421 21.129 54.623 1.00 0.00 C ATOM 904 C LEU A 60 7.707 20.586 54.011 1.00 0.00 C ATOM 905 O LEU A 60 8.748 21.243 54.053 1.00 0.00 O ATOM 906 CB LEU A 60 5.287 21.041 53.604 1.00 0.00 C ATOM 907 CG LEU A 60 3.967 20.667 54.273 1.00 0.00 C ATOM 908 CD1 LEU A 60 3.539 21.751 55.258 1.00 0.00 C ATOM 909 CD2 LEU A 60 2.882 20.438 53.224 1.00 0.00 C ATOM 0 H LEU A 60 6.165 23.195 54.405 1.00 0.00 H new ATOM 0 HA LEU A 60 6.167 20.533 55.500 1.00 0.00 H new ATOM 0 HB2 LEU A 60 5.180 21.998 53.093 1.00 0.00 H new ATOM 0 HB3 LEU A 60 5.535 20.300 52.844 1.00 0.00 H new ATOM 0 HG LEU A 60 4.113 19.739 54.826 1.00 0.00 H new ATOM 0 HD11 LEU A 60 2.596 21.467 55.725 1.00 0.00 H new ATOM 0 HD12 LEU A 60 4.304 21.867 56.026 1.00 0.00 H new ATOM 0 HD13 LEU A 60 3.411 22.695 54.728 1.00 0.00 H new ATOM 0 HD21 LEU A 60 1.948 20.172 53.719 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.739 21.350 52.644 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.184 19.628 52.559 1.00 0.00 H new ATOM 921 N GLN A 61 7.632 19.390 53.437 1.00 0.00 N ATOM 922 CA GLN A 61 8.795 18.771 52.812 1.00 0.00 C ATOM 923 C GLN A 61 9.307 19.650 51.678 1.00 0.00 C ATOM 924 O GLN A 61 10.281 20.384 51.842 1.00 0.00 O ATOM 925 CB GLN A 61 8.429 17.388 52.282 1.00 0.00 C ATOM 926 CG GLN A 61 8.669 16.315 53.339 1.00 0.00 C ATOM 927 CD GLN A 61 7.371 15.995 54.068 1.00 0.00 C ATOM 928 OE1 GLN A 61 6.290 16.042 53.482 1.00 0.00 O ATOM 929 NE2 GLN A 61 7.476 15.669 55.352 1.00 0.00 N ATOM 0 H GLN A 61 6.780 18.831 53.392 1.00 0.00 H new ATOM 0 HA GLN A 61 9.583 18.664 53.557 1.00 0.00 H new ATOM 0 HB2 GLN A 61 7.382 17.377 51.979 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.021 17.167 51.394 1.00 0.00 H new ATOM 0 HG2 GLN A 61 9.063 15.413 52.870 1.00 0.00 H new ATOM 0 HG3 GLN A 61 9.420 16.657 54.051 1.00 0.00 H new ATOM 0 HE21 GLN A 61 8.393 15.642 55.798 1.00 0.00 H new ATOM 0 HE22 GLN A 61 6.640 15.445 55.891 1.00 0.00 H new ATOM 938 N GLY A 62 8.639 19.581 50.530 1.00 0.00 N ATOM 939 CA GLY A 62 9.022 20.382 49.373 1.00 0.00 C ATOM 940 C GLY A 62 8.034 20.202 48.223 1.00 0.00 C ATOM 941 O GLY A 62 8.418 19.791 47.128 1.00 0.00 O ATOM 0 H GLY A 62 7.830 18.979 50.377 1.00 0.00 H new ATOM 0 HA2 GLY A 62 9.068 21.434 49.655 1.00 0.00 H new ATOM 0 HA3 GLY A 62 10.021 20.096 49.045 1.00 0.00 H new ATOM 945 N PRO A 63 6.744 20.511 48.453 1.00 0.00 N ATOM 946 CA PRO A 63 5.702 20.382 47.430 1.00 0.00 C ATOM 947 C PRO A 63 5.570 21.646 46.587 1.00 0.00 C ATOM 948 O PRO A 63 5.074 22.668 47.061 1.00 0.00 O ATOM 949 CB PRO A 63 4.437 20.152 48.242 1.00 0.00 C ATOM 950 CG PRO A 63 4.693 20.767 49.588 1.00 0.00 C ATOM 951 CD PRO A 63 6.184 21.006 49.719 1.00 0.00 C ATOM 0 HA PRO A 63 5.919 19.583 46.721 1.00 0.00 H new ATOM 0 HB2 PRO A 63 3.575 20.613 47.760 1.00 0.00 H new ATOM 0 HB3 PRO A 63 4.220 19.088 48.334 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.147 21.705 49.688 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.342 20.107 50.381 1.00 0.00 H new ATOM 0 HD2 PRO A 63 6.406 22.063 49.866 1.00 0.00 H new ATOM 0 HD3 PRO A 63 6.599 20.471 50.573 1.00 0.00 H new ATOM 959 N PHE A 64 6.013 21.576 45.336 1.00 0.00 N ATOM 960 CA PHE A 64 5.937 22.723 44.438 1.00 0.00 C ATOM 961 C PHE A 64 4.900 22.487 43.351 1.00 0.00 C ATOM 962 O PHE A 64 4.433 21.367 43.150 1.00 0.00 O ATOM 963 CB PHE A 64 7.300 22.982 43.802 1.00 0.00 C ATOM 964 CG PHE A 64 8.304 23.554 44.770 1.00 0.00 C ATOM 965 CD1 PHE A 64 8.104 24.811 45.316 1.00 0.00 C ATOM 966 CD2 PHE A 64 9.427 22.821 45.115 1.00 0.00 C ATOM 967 CE1 PHE A 64 9.026 25.334 46.207 1.00 0.00 C ATOM 968 CE2 PHE A 64 10.348 23.343 46.005 1.00 0.00 C ATOM 969 CZ PHE A 64 10.149 24.600 46.552 1.00 0.00 C ATOM 0 H PHE A 64 6.427 20.741 44.922 1.00 0.00 H new ATOM 0 HA PHE A 64 5.640 23.595 45.021 1.00 0.00 H new ATOM 0 HB2 PHE A 64 7.688 22.048 43.395 1.00 0.00 H new ATOM 0 HB3 PHE A 64 7.179 23.669 42.965 1.00 0.00 H new ATOM 0 HD1 PHE A 64 7.229 25.383 45.047 1.00 0.00 H new ATOM 0 HD2 PHE A 64 9.584 21.841 44.689 1.00 0.00 H new ATOM 0 HE1 PHE A 64 8.870 26.314 46.633 1.00 0.00 H new ATOM 0 HE2 PHE A 64 11.223 22.770 46.274 1.00 0.00 H new ATOM 0 HZ PHE A 64 10.869 25.007 47.247 1.00 0.00 H new ATOM 979 N ASN A 65 4.549 23.557 42.650 1.00 0.00 N ATOM 980 CA ASN A 65 3.569 23.488 41.574 1.00 0.00 C ATOM 981 C ASN A 65 3.879 24.555 40.533 1.00 0.00 C ATOM 982 O ASN A 65 4.066 25.724 40.870 1.00 0.00 O ATOM 983 CB ASN A 65 2.161 23.691 42.130 1.00 0.00 C ATOM 984 CG ASN A 65 1.981 22.913 43.428 1.00 0.00 C ATOM 985 OD1 ASN A 65 1.397 21.829 43.440 1.00 0.00 O ATOM 986 ND2 ASN A 65 2.484 23.469 44.525 1.00 0.00 N ATOM 0 H ASN A 65 4.931 24.489 42.809 1.00 0.00 H new ATOM 0 HA ASN A 65 3.620 22.505 41.107 1.00 0.00 H new ATOM 0 HB2 ASN A 65 1.983 24.752 42.308 1.00 0.00 H new ATOM 0 HB3 ASN A 65 1.424 23.363 41.397 1.00 0.00 H new ATOM 0 HD21 ASN A 65 2.394 22.996 45.424 1.00 0.00 H new ATOM 0 HD22 ASN A 65 2.960 24.369 44.468 1.00 0.00 H new ATOM 993 N PHE A 66 3.947 24.149 39.270 1.00 0.00 N ATOM 994 CA PHE A 66 4.252 25.080 38.188 1.00 0.00 C ATOM 995 C PHE A 66 3.073 25.216 37.233 1.00 0.00 C ATOM 996 O PHE A 66 2.068 24.517 37.360 1.00 0.00 O ATOM 997 CB PHE A 66 5.481 24.603 37.421 1.00 0.00 C ATOM 998 CG PHE A 66 6.736 24.600 38.257 1.00 0.00 C ATOM 999 CD1 PHE A 66 6.913 23.640 39.242 1.00 0.00 C ATOM 1000 CD2 PHE A 66 7.715 25.556 38.040 1.00 0.00 C ATOM 1001 CE1 PHE A 66 8.068 23.638 40.007 1.00 0.00 C ATOM 1002 CE2 PHE A 66 8.869 25.552 38.805 1.00 0.00 C ATOM 1003 CZ PHE A 66 9.046 24.593 39.788 1.00 0.00 C ATOM 0 H PHE A 66 3.796 23.186 38.970 1.00 0.00 H new ATOM 0 HA PHE A 66 4.453 26.057 38.629 1.00 0.00 H new ATOM 0 HB2 PHE A 66 5.299 23.596 37.046 1.00 0.00 H new ATOM 0 HB3 PHE A 66 5.632 25.244 36.553 1.00 0.00 H new ATOM 0 HD1 PHE A 66 6.151 22.894 39.413 1.00 0.00 H new ATOM 0 HD2 PHE A 66 7.578 26.305 37.274 1.00 0.00 H new ATOM 0 HE1 PHE A 66 8.206 22.891 40.775 1.00 0.00 H new ATOM 0 HE2 PHE A 66 9.632 26.297 38.635 1.00 0.00 H new ATOM 0 HZ PHE A 66 9.947 24.590 40.384 1.00 0.00 H new ATOM 1013 N ARG A 67 3.215 26.124 36.272 1.00 0.00 N ATOM 1014 CA ARG A 67 2.180 26.375 35.275 1.00 0.00 C ATOM 1015 C ARG A 67 2.688 27.381 34.249 1.00 0.00 C ATOM 1016 O ARG A 67 2.029 28.379 33.959 1.00 0.00 O ATOM 1017 CB ARG A 67 0.921 26.909 35.951 1.00 0.00 C ATOM 1018 CG ARG A 67 1.229 28.149 36.783 1.00 0.00 C ATOM 1019 CD ARG A 67 0.660 29.407 36.131 1.00 0.00 C ATOM 1020 NE ARG A 67 -0.496 29.887 36.881 1.00 0.00 N ATOM 1021 CZ ARG A 67 -1.731 29.497 36.584 1.00 0.00 C ATOM 1022 NH1 ARG A 67 -2.413 30.116 35.630 1.00 0.00 N ATOM 1023 NH2 ARG A 67 -2.287 28.487 37.241 1.00 0.00 N ATOM 0 H ARG A 67 4.047 26.704 36.163 1.00 0.00 H new ATOM 0 HA ARG A 67 1.937 25.440 34.769 1.00 0.00 H new ATOM 0 HB2 ARG A 67 0.173 27.151 35.195 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.491 26.137 36.589 1.00 0.00 H new ATOM 0 HG2 ARG A 67 0.810 28.033 37.782 1.00 0.00 H new ATOM 0 HG3 ARG A 67 2.308 28.253 36.900 1.00 0.00 H new ATOM 0 HD2 ARG A 67 1.425 30.183 36.093 1.00 0.00 H new ATOM 0 HD3 ARG A 67 0.371 29.193 35.102 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.352 30.538 37.653 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -1.990 30.893 35.123 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.361 29.815 35.404 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -1.766 28.008 37.976 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.235 28.189 37.011 1.00 0.00 H new ATOM 1037 N PHE A 68 3.876 27.114 33.715 1.00 0.00 N ATOM 1038 CA PHE A 68 4.498 27.996 32.729 1.00 0.00 C ATOM 1039 C PHE A 68 3.586 28.206 31.529 1.00 0.00 C ATOM 1040 O PHE A 68 2.545 27.562 31.401 1.00 0.00 O ATOM 1041 CB PHE A 68 5.831 27.411 32.262 1.00 0.00 C ATOM 1042 CG PHE A 68 5.808 25.908 32.123 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.794 25.291 31.408 1.00 0.00 C ATOM 1044 CD2 PHE A 68 6.801 25.143 32.712 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.774 23.911 31.283 1.00 0.00 C ATOM 1046 CE2 PHE A 68 6.781 23.764 32.587 1.00 0.00 C ATOM 1047 CZ PHE A 68 5.767 23.148 31.872 1.00 0.00 C ATOM 0 H PHE A 68 4.430 26.290 33.949 1.00 0.00 H new ATOM 0 HA PHE A 68 4.672 28.960 33.206 1.00 0.00 H new ATOM 0 HB2 PHE A 68 6.098 27.854 31.302 1.00 0.00 H new ATOM 0 HB3 PHE A 68 6.611 27.691 32.970 1.00 0.00 H new ATOM 0 HD1 PHE A 68 4.019 25.886 30.948 1.00 0.00 H new ATOM 0 HD2 PHE A 68 7.592 25.623 33.270 1.00 0.00 H new ATOM 0 HE1 PHE A 68 3.983 23.431 30.726 1.00 0.00 H new ATOM 0 HE2 PHE A 68 7.556 23.169 33.047 1.00 0.00 H new ATOM 0 HZ PHE A 68 5.751 22.073 31.774 1.00 0.00 H new ATOM 1057 N LEU A 69 3.998 29.110 30.647 1.00 0.00 N ATOM 1058 CA LEU A 69 3.240 29.421 29.439 1.00 0.00 C ATOM 1059 C LEU A 69 4.137 29.240 28.222 1.00 0.00 C ATOM 1060 O LEU A 69 4.581 30.215 27.618 1.00 0.00 O ATOM 1061 CB LEU A 69 2.719 30.859 29.490 1.00 0.00 C ATOM 1062 CG LEU A 69 2.303 31.259 30.905 1.00 0.00 C ATOM 1063 CD1 LEU A 69 1.838 32.712 30.935 1.00 0.00 C ATOM 1064 CD2 LEU A 69 1.206 30.334 31.425 1.00 0.00 C ATOM 0 H LEU A 69 4.861 29.645 30.747 1.00 0.00 H new ATOM 0 HA LEU A 69 2.387 28.746 29.371 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.492 31.539 29.132 1.00 0.00 H new ATOM 0 HB3 LEU A 69 1.867 30.962 28.817 1.00 0.00 H new ATOM 0 HG LEU A 69 3.170 31.162 31.558 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.546 32.980 31.950 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.651 33.361 30.608 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.985 32.835 30.268 1.00 0.00 H new ATOM 0 HD21 LEU A 69 0.924 30.635 32.434 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.336 30.397 30.771 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.573 29.308 31.442 1.00 0.00 H new ATOM 1076 N THR A 70 4.411 27.982 27.880 1.00 0.00 N ATOM 1077 CA THR A 70 5.274 27.641 26.744 1.00 0.00 C ATOM 1078 C THR A 70 5.056 28.583 25.564 1.00 0.00 C ATOM 1079 O THR A 70 3.932 29.005 25.289 1.00 0.00 O ATOM 1080 CB THR A 70 5.009 26.204 26.310 1.00 0.00 C ATOM 1081 OG1 THR A 70 3.614 25.993 26.156 1.00 0.00 O ATOM 1082 CG2 THR A 70 5.580 25.218 27.325 1.00 0.00 C ATOM 0 H THR A 70 4.044 27.171 28.379 1.00 0.00 H new ATOM 0 HA THR A 70 6.309 27.747 27.069 1.00 0.00 H new ATOM 0 HB THR A 70 5.503 26.036 25.353 1.00 0.00 H new ATOM 0 HG1 THR A 70 3.422 25.033 26.193 1.00 0.00 H new ATOM 0 HG21 THR A 70 5.379 24.199 26.995 1.00 0.00 H new ATOM 0 HG22 THR A 70 6.656 25.366 27.410 1.00 0.00 H new ATOM 0 HG23 THR A 70 5.113 25.384 28.296 1.00 0.00 H new ATOM 1090 N GLU A 71 6.144 28.906 24.869 1.00 0.00 N ATOM 1091 CA GLU A 71 6.085 29.796 23.715 1.00 0.00 C ATOM 1092 C GLU A 71 5.018 29.323 22.737 1.00 0.00 C ATOM 1093 O GLU A 71 4.241 30.123 22.215 1.00 0.00 O ATOM 1094 CB GLU A 71 7.444 29.837 23.019 1.00 0.00 C ATOM 1095 CG GLU A 71 8.558 30.210 23.995 1.00 0.00 C ATOM 1096 CD GLU A 71 8.950 31.670 23.813 1.00 0.00 C ATOM 1097 OE1 GLU A 71 8.053 32.538 23.863 1.00 0.00 O ATOM 1098 OE2 GLU A 71 10.153 31.944 23.620 1.00 0.00 O ATOM 0 H GLU A 71 7.079 28.563 25.087 1.00 0.00 H new ATOM 0 HA GLU A 71 5.828 30.798 24.059 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.657 28.864 22.576 1.00 0.00 H new ATOM 0 HB3 GLU A 71 7.415 30.560 22.204 1.00 0.00 H new ATOM 0 HG2 GLU A 71 8.226 30.040 25.019 1.00 0.00 H new ATOM 0 HG3 GLU A 71 9.425 29.570 23.831 1.00 0.00 H new ATOM 1105 N LYS A 72 4.984 28.018 22.495 1.00 0.00 N ATOM 1106 CA LYS A 72 4.010 27.432 21.581 1.00 0.00 C ATOM 1107 C LYS A 72 2.596 27.811 22.001 1.00 0.00 C ATOM 1108 O LYS A 72 1.741 28.088 21.160 1.00 0.00 O ATOM 1109 CB LYS A 72 4.159 25.914 21.567 1.00 0.00 C ATOM 1110 CG LYS A 72 4.203 25.374 20.140 1.00 0.00 C ATOM 1111 CD LYS A 72 2.813 25.364 19.511 1.00 0.00 C ATOM 1112 CE LYS A 72 2.871 25.749 18.036 1.00 0.00 C ATOM 1113 NZ LYS A 72 2.938 24.542 17.164 1.00 0.00 N ATOM 0 H LYS A 72 5.621 27.344 22.920 1.00 0.00 H new ATOM 0 HA LYS A 72 4.193 27.819 20.578 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.071 25.631 22.093 1.00 0.00 H new ATOM 0 HB3 LYS A 72 3.327 25.460 22.104 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.873 25.986 19.537 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.611 24.363 20.143 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.372 24.372 19.613 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.164 26.058 20.045 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.992 26.339 17.777 1.00 0.00 H new ATOM 0 HE3 LYS A 72 3.742 26.379 17.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 2.976 24.836 16.167 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 3.790 23.993 17.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.094 23.954 17.319 1.00 0.00 H new ATOM 1127 N GLY A 73 2.355 27.821 23.308 1.00 0.00 N ATOM 1128 CA GLY A 73 1.043 28.165 23.845 1.00 0.00 C ATOM 1129 C GLY A 73 0.358 26.931 24.415 1.00 0.00 C ATOM 1130 O GLY A 73 -0.816 26.680 24.145 1.00 0.00 O ATOM 0 H GLY A 73 3.053 27.594 24.016 1.00 0.00 H new ATOM 0 HA2 GLY A 73 1.149 28.921 24.623 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.425 28.601 23.060 1.00 0.00 H new ATOM 1134 N MET A 74 1.101 26.159 25.202 1.00 0.00 N ATOM 1135 CA MET A 74 0.568 24.945 25.810 1.00 0.00 C ATOM 1136 C MET A 74 0.996 24.843 27.269 1.00 0.00 C ATOM 1137 O MET A 74 1.927 24.112 27.603 1.00 0.00 O ATOM 1138 CB MET A 74 1.058 23.722 25.040 1.00 0.00 C ATOM 1139 CG MET A 74 0.420 23.647 23.656 1.00 0.00 C ATOM 1140 SD MET A 74 1.172 22.380 22.621 1.00 0.00 S ATOM 1141 CE MET A 74 -0.061 22.228 21.319 1.00 0.00 C ATOM 0 H MET A 74 2.075 26.353 25.434 1.00 0.00 H new ATOM 0 HA MET A 74 -0.520 24.986 25.769 1.00 0.00 H new ATOM 0 HB2 MET A 74 2.143 23.762 24.941 1.00 0.00 H new ATOM 0 HB3 MET A 74 0.822 22.818 25.601 1.00 0.00 H new ATOM 0 HG2 MET A 74 -0.645 23.442 23.761 1.00 0.00 H new ATOM 0 HG3 MET A 74 0.511 24.615 23.164 1.00 0.00 H new ATOM 0 HE1 MET A 74 0.262 21.478 20.597 1.00 0.00 H new ATOM 0 HE2 MET A 74 -1.014 21.926 21.754 1.00 0.00 H new ATOM 0 HE3 MET A 74 -0.179 23.188 20.816 1.00 0.00 H new ATOM 1151 N LYS A 75 0.306 25.578 28.137 1.00 0.00 N ATOM 1152 CA LYS A 75 0.610 25.567 29.565 1.00 0.00 C ATOM 1153 C LYS A 75 -0.069 24.381 30.238 1.00 0.00 C ATOM 1154 O LYS A 75 -0.741 23.585 29.581 1.00 0.00 O ATOM 1155 CB LYS A 75 0.139 26.868 30.209 1.00 0.00 C ATOM 1156 CG LYS A 75 -1.377 27.018 30.109 1.00 0.00 C ATOM 1157 CD LYS A 75 -1.769 27.949 28.966 1.00 0.00 C ATOM 1158 CE LYS A 75 -2.188 29.320 29.489 1.00 0.00 C ATOM 1159 NZ LYS A 75 -3.671 29.474 29.479 1.00 0.00 N ATOM 0 H LYS A 75 -0.468 26.189 27.876 1.00 0.00 H new ATOM 0 HA LYS A 75 1.689 25.476 29.693 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.440 26.888 31.256 1.00 0.00 H new ATOM 0 HB3 LYS A 75 0.623 27.714 29.722 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -1.832 26.039 29.956 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -1.769 27.408 31.049 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.929 28.060 28.280 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -2.588 27.507 28.399 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.813 29.455 30.504 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.735 30.099 28.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.925 30.416 29.840 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -4.024 29.369 28.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.100 28.745 30.084 1.00 0.00 H new ATOM 1173 N ASN A 76 0.107 24.266 31.550 1.00 0.00 N ATOM 1174 CA ASN A 76 -0.494 23.174 32.309 1.00 0.00 C ATOM 1175 C ASN A 76 -0.024 23.210 33.757 1.00 0.00 C ATOM 1176 O ASN A 76 1.146 23.478 34.034 1.00 0.00 O ATOM 1177 CB ASN A 76 -0.128 21.835 31.675 1.00 0.00 C ATOM 1178 CG ASN A 76 -1.383 21.119 31.193 1.00 0.00 C ATOM 1179 OD1 ASN A 76 -1.791 21.266 30.041 1.00 0.00 O ATOM 1180 ND2 ASN A 76 -1.997 20.341 32.077 1.00 0.00 N ATOM 0 H ASN A 76 0.660 24.915 32.110 1.00 0.00 H new ATOM 0 HA ASN A 76 -1.577 23.293 32.292 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.552 21.995 30.838 1.00 0.00 H new ATOM 0 HB3 ASN A 76 0.398 21.213 32.399 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -2.842 19.836 31.811 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -1.623 20.249 33.022 1.00 0.00 H new ATOM 1187 N VAL A 77 -0.942 22.938 34.678 1.00 0.00 N ATOM 1188 CA VAL A 77 -0.625 22.937 36.101 1.00 0.00 C ATOM 1189 C VAL A 77 0.031 21.620 36.496 1.00 0.00 C ATOM 1190 O VAL A 77 -0.311 20.562 35.968 1.00 0.00 O ATOM 1191 CB VAL A 77 -1.897 23.156 36.918 1.00 0.00 C ATOM 1192 CG1 VAL A 77 -1.598 23.089 38.414 1.00 0.00 C ATOM 1193 CG2 VAL A 77 -2.536 24.495 36.563 1.00 0.00 C ATOM 0 H VAL A 77 -1.914 22.715 34.464 1.00 0.00 H new ATOM 0 HA VAL A 77 0.073 23.749 36.306 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.600 22.360 36.673 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -2.518 23.248 38.976 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.187 22.110 38.659 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.875 23.862 38.676 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.441 24.634 37.154 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.834 25.301 36.778 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.790 24.507 35.503 1.00 0.00 H new ATOM 1203 N PHE A 78 0.976 21.694 37.427 1.00 0.00 N ATOM 1204 CA PHE A 78 1.684 20.509 37.897 1.00 0.00 C ATOM 1205 C PHE A 78 1.628 20.432 39.416 1.00 0.00 C ATOM 1206 O PHE A 78 1.992 21.381 40.111 1.00 0.00 O ATOM 1207 CB PHE A 78 3.133 20.551 37.422 1.00 0.00 C ATOM 1208 CG PHE A 78 3.248 20.856 35.950 1.00 0.00 C ATOM 1209 CD1 PHE A 78 3.064 19.848 35.018 1.00 0.00 C ATOM 1210 CD2 PHE A 78 3.529 22.145 35.527 1.00 0.00 C ATOM 1211 CE1 PHE A 78 3.162 20.128 33.665 1.00 0.00 C ATOM 1212 CE2 PHE A 78 3.626 22.425 34.175 1.00 0.00 C ATOM 1213 CZ PHE A 78 3.443 21.417 33.244 1.00 0.00 C ATOM 0 H PHE A 78 1.270 22.564 37.872 1.00 0.00 H new ATOM 0 HA PHE A 78 1.203 19.621 37.487 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.677 21.306 37.990 1.00 0.00 H new ATOM 0 HB3 PHE A 78 3.608 19.592 37.630 1.00 0.00 H new ATOM 0 HD1 PHE A 78 2.844 18.843 35.346 1.00 0.00 H new ATOM 0 HD2 PHE A 78 3.672 22.932 36.253 1.00 0.00 H new ATOM 0 HE1 PHE A 78 3.019 19.341 32.939 1.00 0.00 H new ATOM 0 HE2 PHE A 78 3.845 23.430 33.846 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.519 21.636 32.189 1.00 0.00 H new ATOM 1223 N ASP A 79 1.162 19.298 39.927 1.00 0.00 N ATOM 1224 CA ASP A 79 1.048 19.094 41.367 1.00 0.00 C ATOM 1225 C ASP A 79 2.290 18.402 41.911 1.00 0.00 C ATOM 1226 O ASP A 79 2.828 17.487 41.288 1.00 0.00 O ATOM 1227 CB ASP A 79 -0.190 18.258 41.676 1.00 0.00 C ATOM 1228 CG ASP A 79 -1.089 18.992 42.663 1.00 0.00 C ATOM 1229 OD1 ASP A 79 -1.585 20.085 42.317 1.00 0.00 O ATOM 1230 OD2 ASP A 79 -1.296 18.473 43.779 1.00 0.00 O ATOM 0 H ASP A 79 0.856 18.504 39.364 1.00 0.00 H new ATOM 0 HA ASP A 79 0.955 20.067 41.849 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -0.738 18.054 40.756 1.00 0.00 H new ATOM 0 HB3 ASP A 79 0.107 17.295 42.091 1.00 0.00 H new ATOM 1235 N ASP A 80 2.739 18.843 43.082 1.00 0.00 N ATOM 1236 CA ASP A 80 3.917 18.266 43.721 1.00 0.00 C ATOM 1237 C ASP A 80 5.174 18.615 42.940 1.00 0.00 C ATOM 1238 O ASP A 80 5.945 19.483 43.345 1.00 0.00 O ATOM 1239 CB ASP A 80 3.769 16.751 43.818 1.00 0.00 C ATOM 1240 CG ASP A 80 3.803 16.310 45.275 1.00 0.00 C ATOM 1241 OD1 ASP A 80 2.809 16.548 45.993 1.00 0.00 O ATOM 1242 OD2 ASP A 80 4.824 15.728 45.697 1.00 0.00 O ATOM 0 H ASP A 80 2.304 19.600 43.609 1.00 0.00 H new ATOM 0 HA ASP A 80 4.005 18.682 44.725 1.00 0.00 H new ATOM 0 HB2 ASP A 80 2.831 16.440 43.358 1.00 0.00 H new ATOM 0 HB3 ASP A 80 4.572 16.264 43.264 1.00 0.00 H new ATOM 1247 N VAL A 81 5.373 17.915 41.829 1.00 0.00 N ATOM 1248 CA VAL A 81 6.528 18.099 40.950 1.00 0.00 C ATOM 1249 C VAL A 81 7.802 17.581 41.618 1.00 0.00 C ATOM 1250 O VAL A 81 8.511 16.746 41.056 1.00 0.00 O ATOM 1251 CB VAL A 81 6.656 19.573 40.561 1.00 0.00 C ATOM 1252 CG1 VAL A 81 7.977 19.849 39.843 1.00 0.00 C ATOM 1253 CG2 VAL A 81 5.481 19.991 39.682 1.00 0.00 C ATOM 0 H VAL A 81 4.729 17.193 41.507 1.00 0.00 H new ATOM 0 HA VAL A 81 6.380 17.519 40.039 1.00 0.00 H new ATOM 0 HB VAL A 81 6.644 20.163 41.478 1.00 0.00 H new ATOM 0 HG11 VAL A 81 8.035 20.905 39.581 1.00 0.00 H new ATOM 0 HG12 VAL A 81 8.808 19.592 40.499 1.00 0.00 H new ATOM 0 HG13 VAL A 81 8.031 19.247 38.936 1.00 0.00 H new ATOM 0 HG21 VAL A 81 5.584 21.042 39.412 1.00 0.00 H new ATOM 0 HG22 VAL A 81 5.469 19.384 38.777 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.549 19.846 40.228 1.00 0.00 H new ATOM 1263 N VAL A 82 8.083 18.072 42.816 1.00 0.00 N ATOM 1264 CA VAL A 82 9.264 17.656 43.565 1.00 0.00 C ATOM 1265 C VAL A 82 8.860 16.731 44.710 1.00 0.00 C ATOM 1266 O VAL A 82 7.839 16.949 45.362 1.00 0.00 O ATOM 1267 CB VAL A 82 9.989 18.884 44.115 1.00 0.00 C ATOM 1268 CG1 VAL A 82 11.186 18.472 44.968 1.00 0.00 C ATOM 1269 CG2 VAL A 82 10.435 19.796 42.975 1.00 0.00 C ATOM 0 H VAL A 82 7.506 18.764 43.295 1.00 0.00 H new ATOM 0 HA VAL A 82 9.935 17.116 42.897 1.00 0.00 H new ATOM 0 HB VAL A 82 9.293 19.434 44.748 1.00 0.00 H new ATOM 0 HG11 VAL A 82 11.686 19.363 45.348 1.00 0.00 H new ATOM 0 HG12 VAL A 82 10.844 17.863 45.805 1.00 0.00 H new ATOM 0 HG13 VAL A 82 11.884 17.896 44.361 1.00 0.00 H new ATOM 0 HG21 VAL A 82 10.949 20.665 43.385 1.00 0.00 H new ATOM 0 HG22 VAL A 82 11.111 19.251 42.316 1.00 0.00 H new ATOM 0 HG23 VAL A 82 9.563 20.124 42.409 1.00 0.00 H new ATOM 1279 N PRO A 83 9.661 15.683 44.971 1.00 0.00 N ATOM 1280 CA PRO A 83 9.381 14.720 46.050 1.00 0.00 C ATOM 1281 C PRO A 83 9.601 15.326 47.431 1.00 0.00 C ATOM 1282 O PRO A 83 9.786 16.536 47.566 1.00 0.00 O ATOM 1283 CB PRO A 83 10.364 13.585 45.796 1.00 0.00 C ATOM 1284 CG PRO A 83 11.489 14.204 45.035 1.00 0.00 C ATOM 1285 CD PRO A 83 10.900 15.349 44.247 1.00 0.00 C ATOM 0 HA PRO A 83 8.341 14.395 46.043 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.714 13.150 46.732 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.898 12.781 45.226 1.00 0.00 H new ATOM 0 HG2 PRO A 83 12.266 14.559 45.712 1.00 0.00 H new ATOM 0 HG3 PRO A 83 11.954 13.476 44.371 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.581 16.199 44.209 1.00 0.00 H new ATOM 0 HD3 PRO A 83 10.694 15.060 43.217 1.00 0.00 H new ATOM 1293 N GLU A 84 9.580 14.478 48.454 1.00 0.00 N ATOM 1294 CA GLU A 84 9.779 14.929 49.827 1.00 0.00 C ATOM 1295 C GLU A 84 11.235 15.314 50.049 1.00 0.00 C ATOM 1296 O GLU A 84 11.549 16.477 50.304 1.00 0.00 O ATOM 1297 CB GLU A 84 9.378 13.825 50.801 1.00 0.00 C ATOM 1298 CG GLU A 84 7.874 13.834 51.060 1.00 0.00 C ATOM 1299 CD GLU A 84 7.354 12.410 51.202 1.00 0.00 C ATOM 1300 OE1 GLU A 84 7.967 11.624 51.956 1.00 0.00 O ATOM 1301 OE2 GLU A 84 6.333 12.082 50.561 1.00 0.00 O ATOM 0 H GLU A 84 9.427 13.474 48.358 1.00 0.00 H new ATOM 0 HA GLU A 84 9.154 15.804 50.003 1.00 0.00 H new ATOM 0 HB2 GLU A 84 9.674 12.856 50.398 1.00 0.00 H new ATOM 0 HB3 GLU A 84 9.912 13.956 51.742 1.00 0.00 H new ATOM 0 HG2 GLU A 84 7.658 14.400 51.966 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.360 14.336 50.240 1.00 0.00 H new ATOM 1308 N LYS A 85 12.123 14.331 49.945 1.00 0.00 N ATOM 1309 CA LYS A 85 13.551 14.563 50.129 1.00 0.00 C ATOM 1310 C LYS A 85 14.272 14.475 48.791 1.00 0.00 C ATOM 1311 O LYS A 85 14.828 13.433 48.442 1.00 0.00 O ATOM 1312 CB LYS A 85 14.126 13.534 51.097 1.00 0.00 C ATOM 1313 CG LYS A 85 13.800 13.893 52.544 1.00 0.00 C ATOM 1314 CD LYS A 85 14.848 14.835 53.130 1.00 0.00 C ATOM 1315 CE LYS A 85 14.659 15.004 54.634 1.00 0.00 C ATOM 1316 NZ LYS A 85 14.404 13.695 55.299 1.00 0.00 N ATOM 0 H LYS A 85 11.878 13.364 49.734 1.00 0.00 H new ATOM 0 HA LYS A 85 13.695 15.561 50.544 1.00 0.00 H new ATOM 0 HB2 LYS A 85 13.723 12.548 50.865 1.00 0.00 H new ATOM 0 HB3 LYS A 85 15.207 13.475 50.969 1.00 0.00 H new ATOM 0 HG2 LYS A 85 12.818 14.363 52.592 1.00 0.00 H new ATOM 0 HG3 LYS A 85 13.748 12.984 53.144 1.00 0.00 H new ATOM 0 HD2 LYS A 85 15.845 14.444 52.928 1.00 0.00 H new ATOM 0 HD3 LYS A 85 14.781 15.807 52.641 1.00 0.00 H new ATOM 0 HE2 LYS A 85 15.548 15.466 55.065 1.00 0.00 H new ATOM 0 HE3 LYS A 85 13.825 15.679 54.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 14.709 13.745 56.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 13.388 13.478 55.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 14.937 12.948 54.810 1.00 0.00 H new ATOM 1330 N TYR A 86 14.256 15.573 48.043 1.00 0.00 N ATOM 1331 CA TYR A 86 14.907 15.619 46.739 1.00 0.00 C ATOM 1332 C TYR A 86 16.422 15.631 46.897 1.00 0.00 C ATOM 1333 O TYR A 86 16.941 15.766 48.005 1.00 0.00 O ATOM 1334 CB TYR A 86 14.449 16.858 45.971 1.00 0.00 C ATOM 1335 CG TYR A 86 14.997 18.145 46.538 1.00 0.00 C ATOM 1336 CD1 TYR A 86 16.277 18.558 46.209 1.00 0.00 C ATOM 1337 CD2 TYR A 86 14.220 18.916 47.387 1.00 0.00 C ATOM 1338 CE1 TYR A 86 16.779 19.739 46.728 1.00 0.00 C ATOM 1339 CE2 TYR A 86 14.725 20.098 47.904 1.00 0.00 C ATOM 1340 CZ TYR A 86 16.001 20.503 47.572 1.00 0.00 C ATOM 1341 OH TYR A 86 16.502 21.677 48.087 1.00 0.00 O ATOM 0 H TYR A 86 13.799 16.443 48.317 1.00 0.00 H new ATOM 0 HA TYR A 86 14.626 14.728 46.178 1.00 0.00 H new ATOM 0 HB2 TYR A 86 14.758 16.767 44.930 1.00 0.00 H new ATOM 0 HB3 TYR A 86 13.360 16.900 45.978 1.00 0.00 H new ATOM 0 HD1 TYR A 86 16.884 17.958 45.547 1.00 0.00 H new ATOM 0 HD2 TYR A 86 13.221 18.596 47.646 1.00 0.00 H new ATOM 0 HE1 TYR A 86 17.778 20.061 46.472 1.00 0.00 H new ATOM 0 HE2 TYR A 86 14.121 20.701 48.566 1.00 0.00 H new ATOM 0 HH TYR A 86 15.828 22.096 48.662 1.00 0.00 H new ATOM 1351 N THR A 87 17.126 15.491 45.779 1.00 0.00 N ATOM 1352 CA THR A 87 18.585 15.486 45.781 1.00 0.00 C ATOM 1353 C THR A 87 19.112 16.008 44.450 1.00 0.00 C ATOM 1354 O THR A 87 18.707 15.542 43.385 1.00 0.00 O ATOM 1355 CB THR A 87 19.103 14.072 46.026 1.00 0.00 C ATOM 1356 OG1 THR A 87 18.344 13.447 47.049 1.00 0.00 O ATOM 1357 CG2 THR A 87 20.580 14.094 46.410 1.00 0.00 C ATOM 0 H THR A 87 16.708 15.379 44.855 1.00 0.00 H new ATOM 0 HA THR A 87 18.937 16.137 46.581 1.00 0.00 H new ATOM 0 HB THR A 87 18.997 13.503 45.103 1.00 0.00 H new ATOM 0 HG1 THR A 87 18.682 12.539 47.199 1.00 0.00 H new ATOM 0 HG21 THR A 87 20.927 13.075 46.580 1.00 0.00 H new ATOM 0 HG22 THR A 87 21.159 14.545 45.604 1.00 0.00 H new ATOM 0 HG23 THR A 87 20.710 14.678 47.321 1.00 0.00 H new ATOM 1365 N ILE A 88 20.016 16.979 44.517 1.00 0.00 N ATOM 1366 CA ILE A 88 20.600 17.570 43.315 1.00 0.00 C ATOM 1367 C ILE A 88 21.124 16.481 42.387 1.00 0.00 C ATOM 1368 O ILE A 88 22.242 15.993 42.554 1.00 0.00 O ATOM 1369 CB ILE A 88 21.732 18.520 43.696 1.00 0.00 C ATOM 1370 CG1 ILE A 88 21.214 19.635 44.603 1.00 0.00 C ATOM 1371 CG2 ILE A 88 22.381 19.114 42.449 1.00 0.00 C ATOM 1372 CD1 ILE A 88 20.243 20.546 43.859 1.00 0.00 C ATOM 0 H ILE A 88 20.362 17.375 45.391 1.00 0.00 H new ATOM 0 HA ILE A 88 19.825 18.131 42.792 1.00 0.00 H new ATOM 0 HB ILE A 88 22.485 17.950 44.240 1.00 0.00 H new ATOM 0 HG12 ILE A 88 20.717 19.200 45.470 1.00 0.00 H new ATOM 0 HG13 ILE A 88 22.053 20.222 44.977 1.00 0.00 H new ATOM 0 HG21 ILE A 88 23.185 19.788 42.743 1.00 0.00 H new ATOM 0 HG22 ILE A 88 22.787 18.312 41.833 1.00 0.00 H new ATOM 0 HG23 ILE A 88 21.635 19.667 41.879 1.00 0.00 H new ATOM 0 HD11 ILE A 88 19.892 21.329 44.531 1.00 0.00 H new ATOM 0 HD12 ILE A 88 20.749 20.999 43.007 1.00 0.00 H new ATOM 0 HD13 ILE A 88 19.393 19.962 43.507 1.00 0.00 H new ATOM 1384 N GLY A 89 20.310 16.105 41.406 1.00 0.00 N ATOM 1385 CA GLY A 89 20.690 15.074 40.446 1.00 0.00 C ATOM 1386 C GLY A 89 19.572 14.053 40.276 1.00 0.00 C ATOM 1387 O GLY A 89 19.806 12.846 40.338 1.00 0.00 O ATOM 0 H GLY A 89 19.382 16.499 41.255 1.00 0.00 H new ATOM 0 HA2 GLY A 89 20.918 15.533 39.484 1.00 0.00 H new ATOM 0 HA3 GLY A 89 21.597 14.573 40.784 1.00 0.00 H new ATOM 1391 N ALA A 90 18.356 14.544 40.061 1.00 0.00 N ATOM 1392 CA ALA A 90 17.198 13.674 39.882 1.00 0.00 C ATOM 1393 C ALA A 90 16.113 14.392 39.089 1.00 0.00 C ATOM 1394 O ALA A 90 15.814 15.558 39.343 1.00 0.00 O ATOM 1395 CB ALA A 90 16.651 13.248 41.241 1.00 0.00 C ATOM 0 H ALA A 90 18.146 15.541 40.006 1.00 0.00 H new ATOM 0 HA ALA A 90 17.509 12.788 39.328 1.00 0.00 H new ATOM 0 HB1 ALA A 90 15.787 12.599 41.098 1.00 0.00 H new ATOM 0 HB2 ALA A 90 17.423 12.709 41.791 1.00 0.00 H new ATOM 0 HB3 ALA A 90 16.352 14.131 41.806 1.00 0.00 H new ATOM 1401 N THR A 91 15.526 13.688 38.126 1.00 0.00 N ATOM 1402 CA THR A 91 14.473 14.258 37.292 1.00 0.00 C ATOM 1403 C THR A 91 13.102 13.939 37.875 1.00 0.00 C ATOM 1404 O THR A 91 12.509 12.906 37.567 1.00 0.00 O ATOM 1405 CB THR A 91 14.573 13.706 35.873 1.00 0.00 C ATOM 1406 OG1 THR A 91 15.890 13.883 35.376 1.00 0.00 O ATOM 1407 CG2 THR A 91 13.570 14.394 34.952 1.00 0.00 C ATOM 0 H THR A 91 15.762 12.721 37.904 1.00 0.00 H new ATOM 0 HA THR A 91 14.600 15.340 37.265 1.00 0.00 H new ATOM 0 HB THR A 91 14.340 12.642 35.900 1.00 0.00 H new ATOM 0 HG1 THR A 91 15.947 13.525 34.466 1.00 0.00 H new ATOM 0 HG21 THR A 91 13.660 13.984 33.946 1.00 0.00 H new ATOM 0 HG22 THR A 91 12.559 14.225 35.324 1.00 0.00 H new ATOM 0 HG23 THR A 91 13.774 15.465 34.927 1.00 0.00 H new ATOM 1415 N TYR A 92 12.603 14.836 38.719 1.00 0.00 N ATOM 1416 CA TYR A 92 11.300 14.659 39.350 1.00 0.00 C ATOM 1417 C TYR A 92 10.193 15.115 38.408 1.00 0.00 C ATOM 1418 O TYR A 92 10.405 15.230 37.200 1.00 0.00 O ATOM 1419 CB TYR A 92 11.249 15.456 40.650 1.00 0.00 C ATOM 1420 CG TYR A 92 12.447 15.204 41.528 1.00 0.00 C ATOM 1421 CD1 TYR A 92 12.702 13.928 41.999 1.00 0.00 C ATOM 1422 CD2 TYR A 92 13.299 16.244 41.858 1.00 0.00 C ATOM 1423 CE1 TYR A 92 13.806 13.692 42.798 1.00 0.00 C ATOM 1424 CE2 TYR A 92 14.403 16.007 42.659 1.00 0.00 C ATOM 1425 CZ TYR A 92 14.651 14.732 43.125 1.00 0.00 C ATOM 1426 OH TYR A 92 15.749 14.495 43.918 1.00 0.00 O ATOM 0 H TYR A 92 13.083 15.696 38.983 1.00 0.00 H new ATOM 0 HA TYR A 92 11.151 13.603 39.573 1.00 0.00 H new ATOM 0 HB2 TYR A 92 11.189 16.519 40.418 1.00 0.00 H new ATOM 0 HB3 TYR A 92 10.342 15.197 41.196 1.00 0.00 H new ATOM 0 HD1 TYR A 92 12.038 13.116 41.742 1.00 0.00 H new ATOM 0 HD2 TYR A 92 13.102 17.240 41.491 1.00 0.00 H new ATOM 0 HE1 TYR A 92 14.006 12.696 43.165 1.00 0.00 H new ATOM 0 HE2 TYR A 92 15.068 16.817 42.918 1.00 0.00 H new ATOM 0 HH TYR A 92 15.918 13.531 43.963 1.00 0.00 H new ATOM 1436 N ALA A 93 9.011 15.376 38.962 1.00 0.00 N ATOM 1437 CA ALA A 93 7.868 15.823 38.168 1.00 0.00 C ATOM 1438 C ALA A 93 7.281 14.664 37.372 1.00 0.00 C ATOM 1439 O ALA A 93 7.792 13.545 37.418 1.00 0.00 O ATOM 1440 CB ALA A 93 8.286 16.938 37.220 1.00 0.00 C ATOM 0 H ALA A 93 8.819 15.285 39.960 1.00 0.00 H new ATOM 0 HA ALA A 93 7.107 16.202 38.850 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.424 17.261 36.635 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.670 17.780 37.796 1.00 0.00 H new ATOM 0 HB3 ALA A 93 9.064 16.573 36.549 1.00 0.00 H new ATOM 1446 N PRO A 94 6.191 14.919 36.626 1.00 0.00 N ATOM 1447 CA PRO A 94 5.529 13.891 35.814 1.00 0.00 C ATOM 1448 C PRO A 94 6.277 13.620 34.513 1.00 0.00 C ATOM 1449 O PRO A 94 7.186 12.765 34.516 1.00 0.00 O ATOM 1450 CB PRO A 94 4.152 14.475 35.534 1.00 0.00 C ATOM 1451 CG PRO A 94 4.313 15.959 35.641 1.00 0.00 C ATOM 1452 CD PRO A 94 5.516 16.225 36.515 1.00 0.00 C ATOM 0 HA PRO A 94 5.490 12.930 36.327 1.00 0.00 H new ATOM 0 HB2 PRO A 94 3.800 14.190 34.543 1.00 0.00 H new ATOM 0 HB3 PRO A 94 3.418 14.108 36.251 1.00 0.00 H new ATOM 0 HG2 PRO A 94 4.451 16.401 34.654 1.00 0.00 H new ATOM 0 HG3 PRO A 94 3.419 16.411 36.071 1.00 0.00 H new ATOM 0 HD2 PRO A 94 6.172 16.974 36.070 1.00 0.00 H new ATOM 0 HD3 PRO A 94 5.219 16.602 37.494 1.00 0.00 H new TER 1460 PRO A 94