USER MOD reduce.3.24.130724 H: found=0, std=0, add=996, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 994 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 82 THR OG1 : rot 131:sc= 0.514 USER MOD Set 1.2: A 85 SER OG : rot 11:sc= 0.267 USER MOD Set 2.1: A 47 THR OG1 : rot 149:sc= 0 USER MOD Set 2.2: A 68 TYR OH : rot 148:sc= 0.736 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 153:sc= 1.27 (180deg=1.13) USER MOD Single : A 9 SER OG : rot 63:sc= 0.0541 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 CYS SG : rot 110:sc= -0.7 USER MOD Single : A 17 ASN : amide:sc= -1.45 K(o=-1.4,f=-0.48) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 141:sc= 1.14 USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.609 K(o=-0.61,f=-2.8!) USER MOD Single : A 52 GLN : amide:sc= -0.818 K(o=-0.82,f=-0.0067) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= 0.542 K(o=0.54,f=-1.1) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 CYS SG : rot -125:sc= 0.614 USER MOD Single : A 81 LYS NZ :NH3+ 171:sc= 1.2 (180deg=1.12) USER MOD Single : A 84 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.437 X(o=-0.44,f=-0.91) USER MOD Single : A 93 SER OG : rot 180:sc=-0.00614 USER MOD Single : A 96 ASN : amide:sc= -0.478 K(o=-0.48,f=-13!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 160:sc= 1.55 (180deg=1.13) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 SER OG : rot -6:sc= 0.612 USER MOD Single : A 124 SER OG : rot 130:sc= 0.132 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 12.279 -5.398 5.826 1.00 0.00 N ATOM 2 CA MET A 1 12.488 -4.379 4.788 1.00 0.00 C ATOM 3 C MET A 1 11.420 -3.328 4.960 1.00 0.00 C ATOM 4 O MET A 1 10.235 -3.657 5.043 1.00 0.00 O ATOM 5 CB MET A 1 12.410 -4.981 3.377 1.00 0.00 C ATOM 6 CG MET A 1 12.598 -3.956 2.256 1.00 0.00 C ATOM 7 SD MET A 1 13.676 -4.536 0.913 1.00 0.00 S ATOM 8 CE MET A 1 12.682 -5.868 0.172 1.00 0.00 C ATOM 0 H1 MET A 1 12.651 -6.311 5.496 1.00 0.00 H new ATOM 0 H2 MET A 1 12.776 -5.115 6.695 1.00 0.00 H new ATOM 0 H3 MET A 1 11.262 -5.489 6.023 1.00 0.00 H new ATOM 0 HA MET A 1 13.484 -3.950 4.897 1.00 0.00 H new ATOM 0 HB2 MET A 1 13.171 -5.755 3.280 1.00 0.00 H new ATOM 0 HB3 MET A 1 11.443 -5.468 3.253 1.00 0.00 H new ATOM 0 HG2 MET A 1 11.623 -3.699 1.843 1.00 0.00 H new ATOM 0 HG3 MET A 1 13.016 -3.042 2.677 1.00 0.00 H new ATOM 0 HE1 MET A 1 13.228 -6.308 -0.663 1.00 0.00 H new ATOM 0 HE2 MET A 1 12.485 -6.635 0.921 1.00 0.00 H new ATOM 0 HE3 MET A 1 11.737 -5.460 -0.187 1.00 0.00 H new ATOM 18 N ARG A 2 11.840 -2.073 5.055 1.00 0.00 N ATOM 19 CA ARG A 2 10.972 -0.919 4.995 1.00 0.00 C ATOM 20 C ARG A 2 10.922 -0.388 3.580 1.00 0.00 C ATOM 21 O ARG A 2 11.742 -0.735 2.730 1.00 0.00 O ATOM 22 CB ARG A 2 11.520 0.147 5.946 1.00 0.00 C ATOM 23 CG ARG A 2 11.242 -0.278 7.393 1.00 0.00 C ATOM 24 CD ARG A 2 10.522 0.797 8.211 1.00 0.00 C ATOM 25 NE ARG A 2 11.270 1.169 9.425 1.00 0.00 N ATOM 26 CZ ARG A 2 11.205 2.362 10.046 1.00 0.00 C ATOM 27 NH1 ARG A 2 10.445 3.343 9.564 1.00 0.00 N ATOM 28 NH2 ARG A 2 11.877 2.564 11.168 1.00 0.00 N ATOM 0 H ARG A 2 12.823 -1.830 5.179 1.00 0.00 H new ATOM 0 HA ARG A 2 9.960 -1.192 5.293 1.00 0.00 H new ATOM 0 HB2 ARG A 2 12.591 0.274 5.791 1.00 0.00 H new ATOM 0 HB3 ARG A 2 11.052 1.110 5.741 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.639 -1.186 7.388 1.00 0.00 H new ATOM 0 HG3 ARG A 2 12.186 -0.524 7.880 1.00 0.00 H new ATOM 0 HD2 ARG A 2 10.373 1.682 7.593 1.00 0.00 H new ATOM 0 HD3 ARG A 2 9.533 0.435 8.493 1.00 0.00 H new ATOM 0 HE ARG A 2 11.888 0.465 9.828 1.00 0.00 H new ATOM 0 HH11 ARG A 2 9.902 3.196 8.713 1.00 0.00 H new ATOM 0 HH12 ARG A 2 10.406 4.241 10.045 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.445 1.815 11.564 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.827 3.468 11.637 1.00 0.00 H new ATOM 42 N VAL A 3 9.926 0.455 3.365 1.00 0.00 N ATOM 43 CA VAL A 3 9.642 1.159 2.131 1.00 0.00 C ATOM 44 C VAL A 3 8.992 2.479 2.571 1.00 0.00 C ATOM 45 O VAL A 3 8.118 2.468 3.432 1.00 0.00 O ATOM 46 CB VAL A 3 8.734 0.265 1.252 1.00 0.00 C ATOM 47 CG1 VAL A 3 8.326 0.904 -0.081 1.00 0.00 C ATOM 48 CG2 VAL A 3 9.410 -1.076 0.921 1.00 0.00 C ATOM 0 H VAL A 3 9.252 0.679 4.097 1.00 0.00 H new ATOM 0 HA VAL A 3 10.516 1.378 1.518 1.00 0.00 H new ATOM 0 HB VAL A 3 7.840 0.121 1.859 1.00 0.00 H new ATOM 0 HG11 VAL A 3 7.691 0.213 -0.636 1.00 0.00 H new ATOM 0 HG12 VAL A 3 7.778 1.827 0.110 1.00 0.00 H new ATOM 0 HG13 VAL A 3 9.218 1.127 -0.666 1.00 0.00 H new ATOM 0 HG21 VAL A 3 8.743 -1.677 0.303 1.00 0.00 H new ATOM 0 HG22 VAL A 3 10.338 -0.892 0.380 1.00 0.00 H new ATOM 0 HG23 VAL A 3 9.628 -1.611 1.845 1.00 0.00 H new ATOM 58 N GLU A 4 9.414 3.628 2.042 1.00 0.00 N ATOM 59 CA GLU A 4 8.853 4.935 2.326 1.00 0.00 C ATOM 60 C GLU A 4 8.199 5.420 1.049 1.00 0.00 C ATOM 61 O GLU A 4 8.720 5.189 -0.039 1.00 0.00 O ATOM 62 CB GLU A 4 9.975 5.879 2.780 1.00 0.00 C ATOM 63 CG GLU A 4 9.456 7.268 3.177 1.00 0.00 C ATOM 64 CD GLU A 4 10.664 8.131 3.551 1.00 0.00 C ATOM 65 OE1 GLU A 4 11.252 7.861 4.625 1.00 0.00 O ATOM 66 OE2 GLU A 4 11.117 8.912 2.681 1.00 0.00 O ATOM 0 H GLU A 4 10.187 3.667 1.378 1.00 0.00 H new ATOM 0 HA GLU A 4 8.114 4.898 3.127 1.00 0.00 H new ATOM 0 HB2 GLU A 4 10.497 5.435 3.627 1.00 0.00 H new ATOM 0 HB3 GLU A 4 10.704 5.984 1.976 1.00 0.00 H new ATOM 0 HG2 GLU A 4 8.905 7.720 2.352 1.00 0.00 H new ATOM 0 HG3 GLU A 4 8.766 7.192 4.018 1.00 0.00 H new ATOM 73 N LEU A 5 7.048 6.064 1.177 1.00 0.00 N ATOM 74 CA LEU A 5 6.271 6.654 0.119 1.00 0.00 C ATOM 75 C LEU A 5 6.313 8.148 0.388 1.00 0.00 C ATOM 76 O LEU A 5 5.671 8.637 1.316 1.00 0.00 O ATOM 77 CB LEU A 5 4.849 6.072 0.151 1.00 0.00 C ATOM 78 CG LEU A 5 4.783 4.622 -0.356 1.00 0.00 C ATOM 79 CD1 LEU A 5 5.417 3.565 0.554 1.00 0.00 C ATOM 80 CD2 LEU A 5 3.325 4.254 -0.623 1.00 0.00 C ATOM 0 H LEU A 5 6.610 6.192 2.089 1.00 0.00 H new ATOM 0 HA LEU A 5 6.654 6.445 -0.880 1.00 0.00 H new ATOM 0 HB2 LEU A 5 4.469 6.112 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 5 4.194 6.694 -0.458 1.00 0.00 H new ATOM 0 HG LEU A 5 5.386 4.607 -1.264 1.00 0.00 H new ATOM 0 HD11 LEU A 5 5.312 2.581 0.097 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.475 3.790 0.691 1.00 0.00 H new ATOM 0 HD13 LEU A 5 4.916 3.571 1.522 1.00 0.00 H new ATOM 0 HD21 LEU A 5 3.269 3.227 -0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 5 2.752 4.347 0.299 1.00 0.00 H new ATOM 0 HD23 LEU A 5 2.912 4.925 -1.376 1.00 0.00 H new ATOM 92 N LEU A 6 7.181 8.853 -0.335 1.00 0.00 N ATOM 93 CA LEU A 6 7.185 10.308 -0.356 1.00 0.00 C ATOM 94 C LEU A 6 6.104 10.723 -1.334 1.00 0.00 C ATOM 95 O LEU A 6 5.915 10.056 -2.350 1.00 0.00 O ATOM 96 CB LEU A 6 8.567 10.837 -0.799 1.00 0.00 C ATOM 97 CG LEU A 6 9.260 11.609 0.340 1.00 0.00 C ATOM 98 CD1 LEU A 6 10.780 11.648 0.162 1.00 0.00 C ATOM 99 CD2 LEU A 6 8.742 13.052 0.425 1.00 0.00 C ATOM 0 H LEU A 6 7.900 8.429 -0.921 1.00 0.00 H new ATOM 0 HA LEU A 6 6.992 10.722 0.634 1.00 0.00 H new ATOM 0 HB2 LEU A 6 9.195 10.003 -1.111 1.00 0.00 H new ATOM 0 HB3 LEU A 6 8.449 11.489 -1.665 1.00 0.00 H new ATOM 0 HG LEU A 6 9.023 11.075 1.260 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.229 12.202 0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 6 11.171 10.631 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.024 12.139 -0.780 1.00 0.00 H new ATOM 0 HD21 LEU A 6 9.248 13.573 1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 6 8.941 13.566 -0.515 1.00 0.00 H new ATOM 0 HD23 LEU A 6 7.668 13.043 0.613 1.00 0.00 H new ATOM 111 N PHE A 7 5.392 11.797 -1.024 1.00 0.00 N ATOM 112 CA PHE A 7 4.409 12.396 -1.899 1.00 0.00 C ATOM 113 C PHE A 7 4.638 13.909 -1.903 1.00 0.00 C ATOM 114 O PHE A 7 5.250 14.476 -0.991 1.00 0.00 O ATOM 115 CB PHE A 7 2.992 12.104 -1.383 1.00 0.00 C ATOM 116 CG PHE A 7 2.682 10.708 -0.865 1.00 0.00 C ATOM 117 CD1 PHE A 7 2.954 10.369 0.470 1.00 0.00 C ATOM 118 CD2 PHE A 7 2.049 9.763 -1.679 1.00 0.00 C ATOM 119 CE1 PHE A 7 2.617 9.106 0.980 1.00 0.00 C ATOM 120 CE2 PHE A 7 1.664 8.510 -1.178 1.00 0.00 C ATOM 121 CZ PHE A 7 1.957 8.172 0.158 1.00 0.00 C ATOM 0 H PHE A 7 5.489 12.284 -0.133 1.00 0.00 H new ATOM 0 HA PHE A 7 4.509 11.985 -2.903 1.00 0.00 H new ATOM 0 HB2 PHE A 7 2.779 12.810 -0.580 1.00 0.00 H new ATOM 0 HB3 PHE A 7 2.294 12.320 -2.191 1.00 0.00 H new ATOM 0 HD1 PHE A 7 3.431 11.092 1.115 1.00 0.00 H new ATOM 0 HD2 PHE A 7 1.853 10.002 -2.714 1.00 0.00 H new ATOM 0 HE1 PHE A 7 2.863 8.851 2.000 1.00 0.00 H new ATOM 0 HE2 PHE A 7 1.145 7.808 -1.814 1.00 0.00 H new ATOM 0 HZ PHE A 7 1.678 7.205 0.549 1.00 0.00 H new ATOM 131 N GLU A 8 4.033 14.608 -2.856 1.00 0.00 N ATOM 132 CA GLU A 8 4.037 16.069 -2.935 1.00 0.00 C ATOM 133 C GLU A 8 3.308 16.722 -1.744 1.00 0.00 C ATOM 134 O GLU A 8 3.514 17.913 -1.487 1.00 0.00 O ATOM 135 CB GLU A 8 3.379 16.489 -4.255 1.00 0.00 C ATOM 136 CG GLU A 8 4.176 16.106 -5.515 1.00 0.00 C ATOM 137 CD GLU A 8 4.897 17.273 -6.196 1.00 0.00 C ATOM 138 OE1 GLU A 8 4.726 18.464 -5.827 1.00 0.00 O ATOM 139 OE2 GLU A 8 5.664 17.012 -7.143 1.00 0.00 O ATOM 0 H GLU A 8 3.513 14.167 -3.615 1.00 0.00 H new ATOM 0 HA GLU A 8 5.071 16.413 -2.896 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.390 16.035 -4.314 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.234 17.569 -4.247 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.913 15.349 -5.246 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.496 15.648 -6.233 1.00 0.00 H new ATOM 146 N SER A 9 2.483 15.973 -0.999 1.00 0.00 N ATOM 147 CA SER A 9 1.709 16.477 0.137 1.00 0.00 C ATOM 148 C SER A 9 2.089 15.870 1.489 1.00 0.00 C ATOM 149 O SER A 9 1.569 16.319 2.509 1.00 0.00 O ATOM 150 CB SER A 9 0.211 16.285 -0.127 1.00 0.00 C ATOM 151 OG SER A 9 -0.203 16.928 -1.307 1.00 0.00 O ATOM 0 H SER A 9 2.334 14.979 -1.176 1.00 0.00 H new ATOM 0 HA SER A 9 1.954 17.536 0.216 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.011 15.220 -0.197 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.359 16.674 0.717 1.00 0.00 H new ATOM 0 HG SER A 9 0.253 16.526 -2.076 1.00 0.00 H new ATOM 157 N GLY A 10 2.969 14.875 1.562 1.00 0.00 N ATOM 158 CA GLY A 10 3.236 14.171 2.809 1.00 0.00 C ATOM 159 C GLY A 10 4.265 13.093 2.569 1.00 0.00 C ATOM 160 O GLY A 10 4.873 13.059 1.499 1.00 0.00 O ATOM 0 H GLY A 10 3.511 14.538 0.766 1.00 0.00 H new ATOM 0 HA2 GLY A 10 3.596 14.870 3.564 1.00 0.00 H new ATOM 0 HA3 GLY A 10 2.316 13.731 3.195 1.00 0.00 H new ATOM 164 N LYS A 11 4.468 12.203 3.542 1.00 0.00 N ATOM 165 CA LYS A 11 5.415 11.099 3.337 1.00 0.00 C ATOM 166 C LYS A 11 5.323 10.077 4.442 1.00 0.00 C ATOM 167 O LYS A 11 5.617 10.346 5.603 1.00 0.00 O ATOM 168 CB LYS A 11 6.867 11.566 3.214 1.00 0.00 C ATOM 169 CG LYS A 11 7.266 12.560 4.303 1.00 0.00 C ATOM 170 CD LYS A 11 8.741 12.421 4.667 1.00 0.00 C ATOM 171 CE LYS A 11 9.023 13.290 5.895 1.00 0.00 C ATOM 172 NZ LYS A 11 8.815 12.565 7.167 1.00 0.00 N ATOM 0 H LYS A 11 4.008 12.219 4.452 1.00 0.00 H new ATOM 0 HA LYS A 11 5.124 10.646 2.389 1.00 0.00 H new ATOM 0 HB2 LYS A 11 7.527 10.700 3.260 1.00 0.00 H new ATOM 0 HB3 LYS A 11 7.014 12.027 2.237 1.00 0.00 H new ATOM 0 HG2 LYS A 11 7.068 13.576 3.961 1.00 0.00 H new ATOM 0 HG3 LYS A 11 6.653 12.397 5.190 1.00 0.00 H new ATOM 0 HD2 LYS A 11 8.983 11.379 4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 11 9.368 12.732 3.831 1.00 0.00 H new ATOM 0 HE2 LYS A 11 10.050 13.651 5.851 1.00 0.00 H new ATOM 0 HE3 LYS A 11 8.376 14.167 5.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 9.020 13.199 7.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.828 12.242 7.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 9.451 11.743 7.206 1.00 0.00 H new ATOM 186 N CYS A 12 4.872 8.900 4.094 1.00 0.00 N ATOM 187 CA CYS A 12 4.507 7.846 5.016 1.00 0.00 C ATOM 188 C CYS A 12 5.386 6.633 4.744 1.00 0.00 C ATOM 189 O CYS A 12 6.189 6.645 3.810 1.00 0.00 O ATOM 190 CB CYS A 12 3.010 7.568 4.901 1.00 0.00 C ATOM 191 SG CYS A 12 2.043 9.110 5.006 1.00 0.00 S ATOM 0 H CYS A 12 4.742 8.634 3.118 1.00 0.00 H new ATOM 0 HA CYS A 12 4.682 8.137 6.052 1.00 0.00 H new ATOM 0 HB2 CYS A 12 2.802 7.069 3.955 1.00 0.00 H new ATOM 0 HB3 CYS A 12 2.702 6.888 5.695 1.00 0.00 H new ATOM 0 HG CYS A 12 1.526 9.378 3.844 1.00 0.00 H new ATOM 197 N VAL A 13 5.320 5.618 5.598 1.00 0.00 N ATOM 198 CA VAL A 13 6.297 4.545 5.599 1.00 0.00 C ATOM 199 C VAL A 13 5.535 3.256 5.833 1.00 0.00 C ATOM 200 O VAL A 13 4.696 3.174 6.733 1.00 0.00 O ATOM 201 CB VAL A 13 7.369 4.751 6.689 1.00 0.00 C ATOM 202 CG1 VAL A 13 8.611 3.883 6.415 1.00 0.00 C ATOM 203 CG2 VAL A 13 7.830 6.204 6.886 1.00 0.00 C ATOM 0 H VAL A 13 4.591 5.519 6.304 1.00 0.00 H new ATOM 0 HA VAL A 13 6.829 4.520 4.648 1.00 0.00 H new ATOM 0 HB VAL A 13 6.868 4.449 7.609 1.00 0.00 H new ATOM 0 HG11 VAL A 13 9.350 4.048 7.199 1.00 0.00 H new ATOM 0 HG12 VAL A 13 8.324 2.831 6.402 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.039 4.154 5.450 1.00 0.00 H new ATOM 0 HG21 VAL A 13 8.583 6.243 7.673 1.00 0.00 H new ATOM 0 HG22 VAL A 13 8.257 6.580 5.956 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.977 6.821 7.169 1.00 0.00 H new ATOM 213 N ILE A 14 5.855 2.254 5.033 1.00 0.00 N ATOM 214 CA ILE A 14 5.279 0.948 5.114 1.00 0.00 C ATOM 215 C ILE A 14 6.407 -0.065 5.298 1.00 0.00 C ATOM 216 O ILE A 14 7.591 0.178 5.031 1.00 0.00 O ATOM 217 CB ILE A 14 4.388 0.668 3.888 1.00 0.00 C ATOM 218 CG1 ILE A 14 5.193 0.393 2.596 1.00 0.00 C ATOM 219 CG2 ILE A 14 3.365 1.811 3.693 1.00 0.00 C ATOM 220 CD1 ILE A 14 4.364 -0.164 1.432 1.00 0.00 C ATOM 0 H ILE A 14 6.547 2.343 4.289 1.00 0.00 H new ATOM 0 HA ILE A 14 4.616 0.867 5.975 1.00 0.00 H new ATOM 0 HB ILE A 14 3.845 -0.255 4.094 1.00 0.00 H new ATOM 0 HG12 ILE A 14 5.668 1.320 2.275 1.00 0.00 H new ATOM 0 HG13 ILE A 14 5.992 -0.312 2.825 1.00 0.00 H new ATOM 0 HG21 ILE A 14 2.743 1.598 2.823 1.00 0.00 H new ATOM 0 HG22 ILE A 14 2.735 1.890 4.579 1.00 0.00 H new ATOM 0 HG23 ILE A 14 3.895 2.751 3.539 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.011 -0.326 0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 14 3.911 -1.110 1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 14 3.581 0.547 1.170 1.00 0.00 H new ATOM 232 N ASP A 15 6.012 -1.216 5.780 1.00 0.00 N ATOM 233 CA ASP A 15 6.870 -2.217 6.342 1.00 0.00 C ATOM 234 C ASP A 15 6.369 -3.592 6.055 1.00 0.00 C ATOM 235 O ASP A 15 5.181 -3.844 6.207 1.00 0.00 O ATOM 236 CB ASP A 15 6.819 -2.021 7.869 1.00 0.00 C ATOM 237 CG ASP A 15 5.464 -2.202 8.446 1.00 0.00 C ATOM 238 OD1 ASP A 15 4.642 -1.384 8.009 1.00 0.00 O ATOM 239 OD2 ASP A 15 5.285 -3.044 9.352 1.00 0.00 O ATOM 0 H ASP A 15 5.030 -1.490 5.789 1.00 0.00 H new ATOM 0 HA ASP A 15 7.871 -2.117 5.921 1.00 0.00 H new ATOM 0 HB2 ASP A 15 7.503 -2.727 8.341 1.00 0.00 H new ATOM 0 HB3 ASP A 15 7.177 -1.020 8.111 1.00 0.00 H new ATOM 244 N LEU A 16 7.266 -4.420 5.514 1.00 0.00 N ATOM 245 CA LEU A 16 6.868 -5.669 4.914 1.00 0.00 C ATOM 246 C LEU A 16 7.718 -6.814 5.461 1.00 0.00 C ATOM 247 O LEU A 16 8.915 -6.679 5.779 1.00 0.00 O ATOM 248 CB LEU A 16 7.065 -5.552 3.409 1.00 0.00 C ATOM 249 CG LEU A 16 6.655 -4.256 2.689 1.00 0.00 C ATOM 250 CD1 LEU A 16 5.147 -4.020 2.627 1.00 0.00 C ATOM 251 CD2 LEU A 16 7.429 -2.983 2.962 1.00 0.00 C ATOM 0 H LEU A 16 8.269 -4.237 5.485 1.00 0.00 H new ATOM 0 HA LEU A 16 5.824 -5.879 5.147 1.00 0.00 H new ATOM 0 HB2 LEU A 16 8.123 -5.719 3.204 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.517 -6.371 2.943 1.00 0.00 H new ATOM 0 HG LEU A 16 7.001 -4.507 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.946 -3.085 2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 16 4.671 -4.844 2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 16 4.746 -3.962 3.639 1.00 0.00 H new ATOM 0 HD21 LEU A 16 7.008 -2.168 2.373 1.00 0.00 H new ATOM 0 HD22 LEU A 16 7.363 -2.737 4.022 1.00 0.00 H new ATOM 0 HD23 LEU A 16 8.474 -3.127 2.688 1.00 0.00 H new ATOM 263 N ASN A 17 7.102 -7.992 5.519 1.00 0.00 N ATOM 264 CA ASN A 17 7.719 -9.150 6.169 1.00 0.00 C ATOM 265 C ASN A 17 8.635 -9.982 5.256 1.00 0.00 C ATOM 266 O ASN A 17 9.012 -11.088 5.604 1.00 0.00 O ATOM 267 CB ASN A 17 6.621 -10.051 6.766 1.00 0.00 C ATOM 268 CG ASN A 17 7.132 -11.154 7.689 1.00 0.00 C ATOM 269 OD1 ASN A 17 6.408 -12.079 8.023 1.00 0.00 O ATOM 270 ND2 ASN A 17 8.325 -11.024 8.252 1.00 0.00 N ATOM 0 H ASN A 17 6.178 -8.172 5.125 1.00 0.00 H new ATOM 0 HA ASN A 17 8.365 -8.748 6.949 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.920 -9.427 7.321 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.062 -10.509 5.950 1.00 0.00 H new ATOM 0 HD21 ASN A 17 8.631 -11.693 8.958 1.00 0.00 H new ATOM 0 HD22 ASN A 17 8.937 -10.255 7.979 1.00 0.00 H new ATOM 277 N GLU A 18 9.153 -9.405 4.179 1.00 0.00 N ATOM 278 CA GLU A 18 10.077 -9.999 3.235 1.00 0.00 C ATOM 279 C GLU A 18 9.733 -11.419 2.748 1.00 0.00 C ATOM 280 O GLU A 18 10.576 -12.075 2.150 1.00 0.00 O ATOM 281 CB GLU A 18 11.479 -9.873 3.824 1.00 0.00 C ATOM 282 CG GLU A 18 11.914 -8.411 4.040 1.00 0.00 C ATOM 283 CD GLU A 18 13.440 -8.253 4.148 1.00 0.00 C ATOM 284 OE1 GLU A 18 14.172 -8.921 3.375 1.00 0.00 O ATOM 285 OE2 GLU A 18 13.878 -7.391 4.948 1.00 0.00 O ATOM 0 H GLU A 18 8.919 -8.444 3.930 1.00 0.00 H new ATOM 0 HA GLU A 18 10.003 -9.443 2.300 1.00 0.00 H new ATOM 0 HB2 GLU A 18 11.515 -10.401 4.777 1.00 0.00 H new ATOM 0 HB3 GLU A 18 12.191 -10.363 3.160 1.00 0.00 H new ATOM 0 HG2 GLU A 18 11.548 -7.802 3.214 1.00 0.00 H new ATOM 0 HG3 GLU A 18 11.449 -8.029 4.948 1.00 0.00 H new ATOM 292 N GLU A 19 8.510 -11.908 2.969 1.00 0.00 N ATOM 293 CA GLU A 19 8.156 -13.320 2.809 1.00 0.00 C ATOM 294 C GLU A 19 7.132 -13.478 1.701 1.00 0.00 C ATOM 295 O GLU A 19 6.564 -14.548 1.521 1.00 0.00 O ATOM 296 CB GLU A 19 7.622 -13.861 4.142 1.00 0.00 C ATOM 297 CG GLU A 19 8.758 -14.080 5.143 1.00 0.00 C ATOM 298 CD GLU A 19 9.546 -15.370 4.968 1.00 0.00 C ATOM 299 OE1 GLU A 19 9.738 -15.803 3.815 1.00 0.00 O ATOM 300 OE2 GLU A 19 10.125 -15.818 5.982 1.00 0.00 O ATOM 0 H GLU A 19 7.728 -11.326 3.268 1.00 0.00 H new ATOM 0 HA GLU A 19 9.039 -13.894 2.529 1.00 0.00 H new ATOM 0 HB2 GLU A 19 6.897 -13.161 4.558 1.00 0.00 H new ATOM 0 HB3 GLU A 19 7.097 -14.801 3.972 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.449 -13.240 5.071 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.340 -14.064 6.150 1.00 0.00 H new ATOM 307 N TYR A 20 6.883 -12.427 0.931 1.00 0.00 N ATOM 308 CA TYR A 20 5.811 -12.385 -0.033 1.00 0.00 C ATOM 309 C TYR A 20 6.408 -12.019 -1.371 1.00 0.00 C ATOM 310 O TYR A 20 7.199 -11.083 -1.420 1.00 0.00 O ATOM 311 CB TYR A 20 4.782 -11.367 0.439 1.00 0.00 C ATOM 312 CG TYR A 20 4.215 -11.614 1.830 1.00 0.00 C ATOM 313 CD1 TYR A 20 3.401 -12.739 2.056 1.00 0.00 C ATOM 314 CD2 TYR A 20 4.461 -10.715 2.889 1.00 0.00 C ATOM 315 CE1 TYR A 20 2.787 -12.940 3.303 1.00 0.00 C ATOM 316 CE2 TYR A 20 3.851 -10.912 4.144 1.00 0.00 C ATOM 317 CZ TYR A 20 2.995 -12.019 4.348 1.00 0.00 C ATOM 318 OH TYR A 20 2.323 -12.194 5.516 1.00 0.00 O ATOM 0 H TYR A 20 7.434 -11.569 0.966 1.00 0.00 H new ATOM 0 HA TYR A 20 5.307 -13.346 -0.134 1.00 0.00 H new ATOM 0 HB2 TYR A 20 5.239 -10.378 0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 20 3.958 -11.350 -0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 20 3.247 -13.455 1.263 1.00 0.00 H new ATOM 0 HD2 TYR A 20 5.119 -9.872 2.737 1.00 0.00 H new ATOM 0 HE1 TYR A 20 2.155 -13.801 3.461 1.00 0.00 H new ATOM 0 HE2 TYR A 20 4.037 -10.218 4.950 1.00 0.00 H new ATOM 0 HH TYR A 20 2.568 -11.483 6.144 1.00 0.00 H new ATOM 328 N GLU A 21 5.997 -12.714 -2.428 1.00 0.00 N ATOM 329 CA GLU A 21 6.588 -12.633 -3.769 1.00 0.00 C ATOM 330 C GLU A 21 6.769 -11.172 -4.177 1.00 0.00 C ATOM 331 O GLU A 21 7.858 -10.729 -4.516 1.00 0.00 O ATOM 332 CB GLU A 21 5.698 -13.390 -4.775 1.00 0.00 C ATOM 333 CG GLU A 21 6.323 -13.460 -6.183 1.00 0.00 C ATOM 334 CD GLU A 21 6.756 -14.834 -6.719 1.00 0.00 C ATOM 335 OE1 GLU A 21 6.954 -15.808 -5.954 1.00 0.00 O ATOM 336 OE2 GLU A 21 6.922 -14.920 -7.960 1.00 0.00 O ATOM 0 H GLU A 21 5.219 -13.371 -2.378 1.00 0.00 H new ATOM 0 HA GLU A 21 7.572 -13.102 -3.762 1.00 0.00 H new ATOM 0 HB2 GLU A 21 5.521 -14.401 -4.409 1.00 0.00 H new ATOM 0 HB3 GLU A 21 4.727 -12.899 -4.836 1.00 0.00 H new ATOM 0 HG2 GLU A 21 5.605 -13.039 -6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 21 7.197 -12.809 -6.192 1.00 0.00 H new ATOM 343 N VAL A 22 5.693 -10.408 -4.051 1.00 0.00 N ATOM 344 CA VAL A 22 5.626 -8.972 -4.228 1.00 0.00 C ATOM 345 C VAL A 22 6.727 -8.239 -3.461 1.00 0.00 C ATOM 346 O VAL A 22 7.510 -7.573 -4.118 1.00 0.00 O ATOM 347 CB VAL A 22 4.150 -8.575 -3.986 1.00 0.00 C ATOM 348 CG1 VAL A 22 3.614 -8.993 -2.612 1.00 0.00 C ATOM 349 CG2 VAL A 22 3.833 -7.109 -4.275 1.00 0.00 C ATOM 0 H VAL A 22 4.786 -10.805 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 22 5.869 -8.641 -5.238 1.00 0.00 H new ATOM 0 HB VAL A 22 3.612 -9.159 -4.733 1.00 0.00 H new ATOM 0 HG11 VAL A 22 2.574 -8.680 -2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.678 -10.076 -2.511 1.00 0.00 H new ATOM 0 HG13 VAL A 22 4.208 -8.520 -1.830 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.778 -6.919 -4.079 1.00 0.00 H new ATOM 0 HG22 VAL A 22 4.442 -6.472 -3.633 1.00 0.00 H new ATOM 0 HG23 VAL A 22 4.053 -6.888 -5.319 1.00 0.00 H new ATOM 359 N VAL A 23 6.887 -8.390 -2.148 1.00 0.00 N ATOM 360 CA VAL A 23 7.942 -7.716 -1.383 1.00 0.00 C ATOM 361 C VAL A 23 9.331 -8.032 -1.973 1.00 0.00 C ATOM 362 O VAL A 23 10.129 -7.104 -2.144 1.00 0.00 O ATOM 363 CB VAL A 23 7.819 -8.118 0.099 1.00 0.00 C ATOM 364 CG1 VAL A 23 8.848 -7.401 0.980 1.00 0.00 C ATOM 365 CG2 VAL A 23 6.420 -7.786 0.647 1.00 0.00 C ATOM 0 H VAL A 23 6.286 -8.986 -1.579 1.00 0.00 H new ATOM 0 HA VAL A 23 7.823 -6.635 -1.451 1.00 0.00 H new ATOM 0 HB VAL A 23 7.999 -9.193 0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.723 -7.716 2.016 1.00 0.00 H new ATOM 0 HG12 VAL A 23 9.854 -7.653 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.701 -6.323 0.908 1.00 0.00 H new ATOM 0 HG21 VAL A 23 6.361 -8.080 1.695 1.00 0.00 H new ATOM 0 HG22 VAL A 23 6.240 -6.714 0.560 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.667 -8.328 0.075 1.00 0.00 H new ATOM 375 N LYS A 24 9.622 -9.301 -2.305 1.00 0.00 N ATOM 376 CA LYS A 24 10.897 -9.717 -2.884 1.00 0.00 C ATOM 377 C LYS A 24 11.106 -9.117 -4.277 1.00 0.00 C ATOM 378 O LYS A 24 12.196 -8.642 -4.585 1.00 0.00 O ATOM 379 CB LYS A 24 10.960 -11.254 -2.954 1.00 0.00 C ATOM 380 CG LYS A 24 10.545 -11.924 -1.633 1.00 0.00 C ATOM 381 CD LYS A 24 10.771 -13.431 -1.649 1.00 0.00 C ATOM 382 CE LYS A 24 10.274 -14.018 -0.320 1.00 0.00 C ATOM 383 NZ LYS A 24 10.585 -15.452 -0.140 1.00 0.00 N ATOM 0 H LYS A 24 8.966 -10.071 -2.175 1.00 0.00 H new ATOM 0 HA LYS A 24 11.696 -9.348 -2.242 1.00 0.00 H new ATOM 0 HB2 LYS A 24 10.309 -11.604 -3.755 1.00 0.00 H new ATOM 0 HB3 LYS A 24 11.974 -11.561 -3.210 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.111 -11.483 -0.812 1.00 0.00 H new ATOM 0 HG3 LYS A 24 9.492 -11.719 -1.440 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.238 -13.884 -2.485 1.00 0.00 H new ATOM 0 HD3 LYS A 24 11.829 -13.653 -1.788 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.717 -13.455 0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.195 -13.880 -0.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 10.218 -15.774 0.778 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 10.140 -16.002 -0.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.615 -15.590 -0.169 1.00 0.00 H new ATOM 397 N LEU A 25 10.075 -9.115 -5.121 1.00 0.00 N ATOM 398 CA LEU A 25 10.145 -8.656 -6.507 1.00 0.00 C ATOM 399 C LEU A 25 10.188 -7.138 -6.556 1.00 0.00 C ATOM 400 O LEU A 25 10.792 -6.546 -7.444 1.00 0.00 O ATOM 401 CB LEU A 25 8.901 -9.105 -7.283 1.00 0.00 C ATOM 402 CG LEU A 25 8.860 -10.589 -7.674 1.00 0.00 C ATOM 403 CD1 LEU A 25 7.481 -10.879 -8.279 1.00 0.00 C ATOM 404 CD2 LEU A 25 9.927 -10.922 -8.716 1.00 0.00 C ATOM 0 H LEU A 25 9.146 -9.440 -4.853 1.00 0.00 H new ATOM 0 HA LEU A 25 11.045 -9.081 -6.951 1.00 0.00 H new ATOM 0 HB2 LEU A 25 8.020 -8.882 -6.681 1.00 0.00 H new ATOM 0 HB3 LEU A 25 8.826 -8.507 -8.191 1.00 0.00 H new ATOM 0 HG LEU A 25 9.048 -11.193 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 25 7.423 -11.929 -8.567 1.00 0.00 H new ATOM 0 HD12 LEU A 25 6.708 -10.662 -7.542 1.00 0.00 H new ATOM 0 HD13 LEU A 25 7.331 -10.253 -9.159 1.00 0.00 H new ATOM 0 HD21 LEU A 25 9.870 -11.980 -8.970 1.00 0.00 H new ATOM 0 HD22 LEU A 25 9.760 -10.324 -9.612 1.00 0.00 H new ATOM 0 HD23 LEU A 25 10.914 -10.699 -8.310 1.00 0.00 H new ATOM 416 N LEU A 26 9.559 -6.483 -5.586 1.00 0.00 N ATOM 417 CA LEU A 26 9.599 -5.046 -5.412 1.00 0.00 C ATOM 418 C LEU A 26 11.033 -4.567 -5.247 1.00 0.00 C ATOM 419 O LEU A 26 11.344 -3.445 -5.630 1.00 0.00 O ATOM 420 CB LEU A 26 8.748 -4.660 -4.192 1.00 0.00 C ATOM 421 CG LEU A 26 7.372 -4.058 -4.514 1.00 0.00 C ATOM 422 CD1 LEU A 26 7.460 -2.721 -5.248 1.00 0.00 C ATOM 423 CD2 LEU A 26 6.405 -5.009 -5.196 1.00 0.00 C ATOM 0 H LEU A 26 8.993 -6.956 -4.882 1.00 0.00 H new ATOM 0 HA LEU A 26 9.189 -4.563 -6.299 1.00 0.00 H new ATOM 0 HB2 LEU A 26 8.603 -5.547 -3.576 1.00 0.00 H new ATOM 0 HB3 LEU A 26 9.308 -3.943 -3.591 1.00 0.00 H new ATOM 0 HG LEU A 26 6.941 -3.863 -3.532 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.455 -2.348 -5.447 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.999 -2.002 -4.631 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.989 -2.858 -6.191 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.462 -4.496 -5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.830 -5.344 -6.142 1.00 0.00 H new ATOM 0 HD23 LEU A 26 6.228 -5.871 -4.553 1.00 0.00 H new ATOM 435 N LYS A 27 11.931 -5.423 -4.759 1.00 0.00 N ATOM 436 CA LYS A 27 13.347 -5.126 -4.652 1.00 0.00 C ATOM 437 C LYS A 27 14.021 -4.933 -6.018 1.00 0.00 C ATOM 438 O LYS A 27 15.167 -4.501 -6.062 1.00 0.00 O ATOM 439 CB LYS A 27 14.004 -6.265 -3.865 1.00 0.00 C ATOM 440 CG LYS A 27 15.243 -5.789 -3.112 1.00 0.00 C ATOM 441 CD LYS A 27 16.072 -6.992 -2.644 1.00 0.00 C ATOM 442 CE LYS A 27 17.247 -7.210 -3.594 1.00 0.00 C ATOM 443 NZ LYS A 27 18.418 -6.420 -3.160 1.00 0.00 N ATOM 0 H LYS A 27 11.685 -6.354 -4.424 1.00 0.00 H new ATOM 0 HA LYS A 27 13.472 -4.176 -4.132 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.286 -6.681 -3.158 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.280 -7.068 -4.549 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.847 -5.151 -3.757 1.00 0.00 H new ATOM 0 HG3 LYS A 27 14.947 -5.186 -2.254 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.438 -6.822 -1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.448 -7.885 -2.612 1.00 0.00 H new ATOM 0 HE2 LYS A 27 17.506 -8.268 -3.624 1.00 0.00 H new ATOM 0 HE3 LYS A 27 16.962 -6.923 -4.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 19.208 -6.580 -3.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 18.172 -5.410 -3.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 18.699 -6.714 -2.203 1.00 0.00 H new ATOM 457 N GLU A 28 13.359 -5.232 -7.136 1.00 0.00 N ATOM 458 CA GLU A 28 13.854 -4.888 -8.470 1.00 0.00 C ATOM 459 C GLU A 28 13.317 -3.539 -8.955 1.00 0.00 C ATOM 460 O GLU A 28 13.874 -2.921 -9.870 1.00 0.00 O ATOM 461 CB GLU A 28 13.414 -5.984 -9.449 1.00 0.00 C ATOM 462 CG GLU A 28 14.229 -7.254 -9.203 1.00 0.00 C ATOM 463 CD GLU A 28 15.406 -7.291 -10.166 1.00 0.00 C ATOM 464 OE1 GLU A 28 15.192 -7.406 -11.399 1.00 0.00 O ATOM 465 OE2 GLU A 28 16.565 -7.188 -9.711 1.00 0.00 O ATOM 0 H GLU A 28 12.463 -5.720 -7.143 1.00 0.00 H new ATOM 0 HA GLU A 28 14.940 -4.812 -8.421 1.00 0.00 H new ATOM 0 HB2 GLU A 28 12.352 -6.192 -9.323 1.00 0.00 H new ATOM 0 HB3 GLU A 28 13.553 -5.645 -10.476 1.00 0.00 H new ATOM 0 HG2 GLU A 28 14.586 -7.277 -8.173 1.00 0.00 H new ATOM 0 HG3 GLU A 28 13.602 -8.135 -9.343 1.00 0.00 H new ATOM 472 N LYS A 29 12.233 -3.061 -8.345 1.00 0.00 N ATOM 473 CA LYS A 29 11.457 -1.917 -8.794 1.00 0.00 C ATOM 474 C LYS A 29 11.323 -0.893 -7.665 1.00 0.00 C ATOM 475 O LYS A 29 10.283 -0.248 -7.562 1.00 0.00 O ATOM 476 CB LYS A 29 10.085 -2.386 -9.314 1.00 0.00 C ATOM 477 CG LYS A 29 10.063 -3.438 -10.437 1.00 0.00 C ATOM 478 CD LYS A 29 10.862 -3.033 -11.676 1.00 0.00 C ATOM 479 CE LYS A 29 10.480 -3.936 -12.849 1.00 0.00 C ATOM 480 NZ LYS A 29 11.283 -3.632 -14.049 1.00 0.00 N ATOM 0 H LYS A 29 11.861 -3.480 -7.492 1.00 0.00 H new ATOM 0 HA LYS A 29 11.974 -1.426 -9.619 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.526 -2.787 -8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 29 9.543 -1.509 -9.667 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.460 -4.377 -10.051 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.029 -3.625 -10.728 1.00 0.00 H new ATOM 0 HD2 LYS A 29 10.662 -1.991 -11.926 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.930 -3.113 -11.475 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.624 -4.979 -12.568 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.421 -3.810 -13.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.999 -4.262 -14.826 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.126 -2.643 -14.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 12.291 -3.776 -13.838 1.00 0.00 H new ATOM 494 N ILE A 30 12.311 -0.778 -6.771 1.00 0.00 N ATOM 495 CA ILE A 30 12.394 0.294 -5.780 1.00 0.00 C ATOM 496 C ILE A 30 13.749 0.997 -5.997 1.00 0.00 C ATOM 497 O ILE A 30 14.758 0.325 -6.234 1.00 0.00 O ATOM 498 CB ILE A 30 12.192 -0.250 -4.343 1.00 0.00 C ATOM 499 CG1 ILE A 30 10.719 -0.666 -4.109 1.00 0.00 C ATOM 500 CG2 ILE A 30 12.557 0.791 -3.263 1.00 0.00 C ATOM 501 CD1 ILE A 30 10.528 -1.503 -2.833 1.00 0.00 C ATOM 0 H ILE A 30 13.086 -1.439 -6.717 1.00 0.00 H new ATOM 0 HA ILE A 30 11.593 1.022 -5.906 1.00 0.00 H new ATOM 0 HB ILE A 30 12.856 -1.110 -4.256 1.00 0.00 H new ATOM 0 HG12 ILE A 30 10.100 0.229 -4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.367 -1.237 -4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.398 0.361 -2.274 1.00 0.00 H new ATOM 0 HG22 ILE A 30 13.604 1.075 -3.371 1.00 0.00 H new ATOM 0 HG23 ILE A 30 11.927 1.673 -3.380 1.00 0.00 H new ATOM 0 HD11 ILE A 30 9.475 -1.764 -2.723 1.00 0.00 H new ATOM 0 HD12 ILE A 30 11.122 -2.414 -2.903 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.851 -0.925 -1.967 1.00 0.00 H new ATOM 513 N PRO A 31 13.832 2.333 -5.882 1.00 0.00 N ATOM 514 CA PRO A 31 12.696 3.238 -5.854 1.00 0.00 C ATOM 515 C PRO A 31 11.860 3.146 -7.135 1.00 0.00 C ATOM 516 O PRO A 31 12.285 2.544 -8.125 1.00 0.00 O ATOM 517 CB PRO A 31 13.270 4.636 -5.617 1.00 0.00 C ATOM 518 CG PRO A 31 14.773 4.542 -5.835 1.00 0.00 C ATOM 519 CD PRO A 31 15.090 3.049 -5.767 1.00 0.00 C ATOM 0 HA PRO A 31 12.000 2.975 -5.057 1.00 0.00 H new ATOM 0 HB2 PRO A 31 12.825 5.357 -6.303 1.00 0.00 H new ATOM 0 HB3 PRO A 31 13.047 4.978 -4.606 1.00 0.00 H new ATOM 0 HG2 PRO A 31 15.059 4.963 -6.799 1.00 0.00 H new ATOM 0 HG3 PRO A 31 15.318 5.096 -5.071 1.00 0.00 H new ATOM 0 HD2 PRO A 31 15.769 2.764 -6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 31 15.587 2.804 -4.828 1.00 0.00 H new ATOM 527 N PHE A 32 10.647 3.693 -7.074 1.00 0.00 N ATOM 528 CA PHE A 32 9.824 3.975 -8.239 1.00 0.00 C ATOM 529 C PHE A 32 8.960 5.197 -7.957 1.00 0.00 C ATOM 530 O PHE A 32 8.823 5.574 -6.799 1.00 0.00 O ATOM 531 CB PHE A 32 9.021 2.753 -8.703 1.00 0.00 C ATOM 532 CG PHE A 32 7.861 2.294 -7.833 1.00 0.00 C ATOM 533 CD1 PHE A 32 8.087 1.592 -6.637 1.00 0.00 C ATOM 534 CD2 PHE A 32 6.544 2.456 -8.293 1.00 0.00 C ATOM 535 CE1 PHE A 32 7.016 0.962 -5.974 1.00 0.00 C ATOM 536 CE2 PHE A 32 5.467 1.871 -7.607 1.00 0.00 C ATOM 537 CZ PHE A 32 5.710 1.081 -6.474 1.00 0.00 C ATOM 0 H PHE A 32 10.204 3.956 -6.194 1.00 0.00 H new ATOM 0 HA PHE A 32 10.472 4.207 -9.084 1.00 0.00 H new ATOM 0 HB2 PHE A 32 8.629 2.968 -9.697 1.00 0.00 H new ATOM 0 HB3 PHE A 32 9.713 1.917 -8.807 1.00 0.00 H new ATOM 0 HD1 PHE A 32 9.084 1.535 -6.225 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.357 3.037 -9.184 1.00 0.00 H new ATOM 0 HE1 PHE A 32 7.200 0.386 -5.079 1.00 0.00 H new ATOM 0 HE2 PHE A 32 4.455 2.029 -7.951 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.895 0.566 -5.988 1.00 0.00 H new ATOM 547 N GLU A 33 8.349 5.805 -8.973 1.00 0.00 N ATOM 548 CA GLU A 33 7.232 6.721 -8.763 1.00 0.00 C ATOM 549 C GLU A 33 5.958 6.061 -9.296 1.00 0.00 C ATOM 550 O GLU A 33 6.030 5.206 -10.186 1.00 0.00 O ATOM 551 CB GLU A 33 7.410 8.049 -9.501 1.00 0.00 C ATOM 552 CG GLU A 33 8.551 8.995 -9.125 1.00 0.00 C ATOM 553 CD GLU A 33 8.497 10.223 -10.058 1.00 0.00 C ATOM 554 OE1 GLU A 33 8.583 10.025 -11.292 1.00 0.00 O ATOM 555 OE2 GLU A 33 8.313 11.373 -9.583 1.00 0.00 O ATOM 0 H GLU A 33 8.610 5.679 -9.951 1.00 0.00 H new ATOM 0 HA GLU A 33 7.178 6.930 -7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.519 7.817 -10.560 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.480 8.606 -9.391 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.458 9.306 -8.084 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.511 8.488 -9.222 1.00 0.00 H new ATOM 562 N SER A 34 4.792 6.509 -8.834 1.00 0.00 N ATOM 563 CA SER A 34 3.508 6.232 -9.460 1.00 0.00 C ATOM 564 C SER A 34 2.543 7.387 -9.147 1.00 0.00 C ATOM 565 O SER A 34 2.963 8.437 -8.650 1.00 0.00 O ATOM 566 CB SER A 34 3.013 4.854 -9.007 1.00 0.00 C ATOM 567 OG SER A 34 1.991 4.362 -9.863 1.00 0.00 O ATOM 0 H SER A 34 4.716 7.086 -7.997 1.00 0.00 H new ATOM 0 HA SER A 34 3.588 6.182 -10.546 1.00 0.00 H new ATOM 0 HB2 SER A 34 3.847 4.153 -8.994 1.00 0.00 H new ATOM 0 HB3 SER A 34 2.635 4.919 -7.987 1.00 0.00 H new ATOM 0 HG SER A 34 2.116 3.400 -10.002 1.00 0.00 H new ATOM 573 N VAL A 35 1.270 7.217 -9.502 1.00 0.00 N ATOM 574 CA VAL A 35 0.192 8.182 -9.303 1.00 0.00 C ATOM 575 C VAL A 35 -0.548 7.776 -8.038 1.00 0.00 C ATOM 576 O VAL A 35 -0.815 6.592 -7.834 1.00 0.00 O ATOM 577 CB VAL A 35 -0.801 8.133 -10.484 1.00 0.00 C ATOM 578 CG1 VAL A 35 -1.893 9.210 -10.394 1.00 0.00 C ATOM 579 CG2 VAL A 35 -0.080 8.273 -11.827 1.00 0.00 C ATOM 0 H VAL A 35 0.948 6.363 -9.957 1.00 0.00 H new ATOM 0 HA VAL A 35 0.603 9.189 -9.230 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.279 7.156 -10.420 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.560 9.124 -11.252 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -2.464 9.073 -9.476 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.431 10.197 -10.391 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -0.809 8.234 -12.637 1.00 0.00 H new ATOM 0 HG22 VAL A 35 0.448 9.226 -11.859 1.00 0.00 H new ATOM 0 HG23 VAL A 35 0.635 7.458 -11.943 1.00 0.00 H new ATOM 589 N VAL A 36 -0.897 8.759 -7.218 1.00 0.00 N ATOM 590 CA VAL A 36 -1.583 8.568 -5.949 1.00 0.00 C ATOM 591 C VAL A 36 -3.097 8.609 -6.158 1.00 0.00 C ATOM 592 O VAL A 36 -3.759 9.529 -5.684 1.00 0.00 O ATOM 593 CB VAL A 36 -1.147 9.688 -4.985 1.00 0.00 C ATOM 594 CG1 VAL A 36 -1.546 9.375 -3.549 1.00 0.00 C ATOM 595 CG2 VAL A 36 0.361 9.885 -4.937 1.00 0.00 C ATOM 0 H VAL A 36 -0.704 9.739 -7.425 1.00 0.00 H new ATOM 0 HA VAL A 36 -1.324 7.596 -5.528 1.00 0.00 H new ATOM 0 HB VAL A 36 -1.642 10.579 -5.372 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -1.223 10.186 -2.897 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -2.629 9.269 -3.487 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -1.072 8.445 -3.234 1.00 0.00 H new ATOM 0 HG21 VAL A 36 0.601 10.688 -4.240 1.00 0.00 H new ATOM 0 HG22 VAL A 36 0.838 8.962 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 36 0.726 10.146 -5.930 1.00 0.00 H new ATOM 605 N ASN A 37 -3.661 7.658 -6.891 1.00 0.00 N ATOM 606 CA ASN A 37 -5.112 7.673 -7.054 1.00 0.00 C ATOM 607 C ASN A 37 -5.732 7.338 -5.695 1.00 0.00 C ATOM 608 O ASN A 37 -5.194 6.491 -4.978 1.00 0.00 O ATOM 609 CB ASN A 37 -5.566 6.662 -8.097 1.00 0.00 C ATOM 610 CG ASN A 37 -4.921 6.860 -9.456 1.00 0.00 C ATOM 611 OD1 ASN A 37 -5.323 7.699 -10.250 1.00 0.00 O ATOM 612 ND2 ASN A 37 -3.913 6.063 -9.773 1.00 0.00 N ATOM 0 H ASN A 37 -3.167 6.900 -7.362 1.00 0.00 H new ATOM 0 HA ASN A 37 -5.432 8.656 -7.400 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -5.340 5.657 -7.740 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -6.649 6.726 -8.205 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -3.465 6.146 -10.686 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.584 5.366 -9.105 1.00 0.00 H new ATOM 619 N THR A 38 -6.859 7.943 -5.335 1.00 0.00 N ATOM 620 CA THR A 38 -7.546 7.619 -4.085 1.00 0.00 C ATOM 621 C THR A 38 -8.867 6.906 -4.385 1.00 0.00 C ATOM 622 O THR A 38 -9.430 7.104 -5.464 1.00 0.00 O ATOM 623 CB THR A 38 -7.662 8.874 -3.191 1.00 0.00 C ATOM 624 OG1 THR A 38 -8.627 9.815 -3.633 1.00 0.00 O ATOM 625 CG2 THR A 38 -6.349 9.672 -3.093 1.00 0.00 C ATOM 0 H THR A 38 -7.319 8.663 -5.892 1.00 0.00 H new ATOM 0 HA THR A 38 -6.962 6.911 -3.497 1.00 0.00 H new ATOM 0 HB THR A 38 -7.950 8.445 -2.231 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.645 10.579 -3.019 1.00 0.00 H new ATOM 0 HG21 THR A 38 -6.498 10.540 -2.451 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.569 9.038 -2.671 1.00 0.00 H new ATOM 0 HG23 THR A 38 -6.049 10.003 -4.087 1.00 0.00 H new ATOM 633 N TRP A 39 -9.387 6.105 -3.450 1.00 0.00 N ATOM 634 CA TRP A 39 -10.695 5.461 -3.583 1.00 0.00 C ATOM 635 C TRP A 39 -11.331 5.339 -2.199 1.00 0.00 C ATOM 636 O TRP A 39 -11.415 4.259 -1.626 1.00 0.00 O ATOM 637 CB TRP A 39 -10.570 4.110 -4.306 1.00 0.00 C ATOM 638 CG TRP A 39 -11.835 3.346 -4.573 1.00 0.00 C ATOM 639 CD1 TRP A 39 -12.735 3.597 -5.549 1.00 0.00 C ATOM 640 CD2 TRP A 39 -12.314 2.149 -3.894 1.00 0.00 C ATOM 641 NE1 TRP A 39 -13.713 2.618 -5.543 1.00 0.00 N ATOM 642 CE2 TRP A 39 -13.476 1.672 -4.566 1.00 0.00 C ATOM 643 CE3 TRP A 39 -11.853 1.399 -2.795 1.00 0.00 C ATOM 644 CZ2 TRP A 39 -14.104 0.471 -4.196 1.00 0.00 C ATOM 645 CZ3 TRP A 39 -12.488 0.213 -2.397 1.00 0.00 C ATOM 646 CH2 TRP A 39 -13.584 -0.270 -3.129 1.00 0.00 C ATOM 0 H TRP A 39 -8.909 5.885 -2.576 1.00 0.00 H new ATOM 0 HA TRP A 39 -11.352 6.071 -4.202 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -10.075 4.284 -5.261 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -9.911 3.473 -3.717 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -12.697 4.434 -6.230 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -14.509 2.598 -6.180 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -10.990 1.745 -2.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -14.977 0.124 -4.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -12.135 -0.326 -1.531 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -14.028 -1.219 -2.867 1.00 0.00 H new ATOM 657 N GLY A 40 -11.794 6.460 -1.648 1.00 0.00 N ATOM 658 CA GLY A 40 -12.638 6.412 -0.467 1.00 0.00 C ATOM 659 C GLY A 40 -11.880 5.989 0.783 1.00 0.00 C ATOM 660 O GLY A 40 -12.063 4.880 1.253 1.00 0.00 O ATOM 0 H GLY A 40 -11.600 7.398 -1.998 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.081 7.394 -0.303 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.459 5.717 -0.641 1.00 0.00 H new ATOM 664 N GLU A 41 -11.090 6.892 1.359 1.00 0.00 N ATOM 665 CA GLU A 41 -10.254 6.695 2.550 1.00 0.00 C ATOM 666 C GLU A 41 -9.195 5.602 2.336 1.00 0.00 C ATOM 667 O GLU A 41 -8.677 5.014 3.294 1.00 0.00 O ATOM 668 CB GLU A 41 -11.135 6.523 3.803 1.00 0.00 C ATOM 669 CG GLU A 41 -11.576 7.831 4.463 1.00 0.00 C ATOM 670 CD GLU A 41 -12.156 8.888 3.514 1.00 0.00 C ATOM 671 OE1 GLU A 41 -13.202 8.630 2.860 1.00 0.00 O ATOM 672 OE2 GLU A 41 -11.586 10.001 3.438 1.00 0.00 O ATOM 0 H GLU A 41 -11.009 7.839 0.988 1.00 0.00 H new ATOM 0 HA GLU A 41 -9.664 7.594 2.729 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.023 5.953 3.530 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -10.588 5.929 4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -12.323 7.600 5.222 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.719 8.263 4.980 1.00 0.00 H new ATOM 679 N GLU A 42 -8.832 5.388 1.066 1.00 0.00 N ATOM 680 CA GLU A 42 -7.657 4.630 0.699 1.00 0.00 C ATOM 681 C GLU A 42 -6.880 5.343 -0.409 1.00 0.00 C ATOM 682 O GLU A 42 -7.436 6.182 -1.133 1.00 0.00 O ATOM 683 CB GLU A 42 -8.044 3.174 0.386 1.00 0.00 C ATOM 684 CG GLU A 42 -8.534 2.929 -1.055 1.00 0.00 C ATOM 685 CD GLU A 42 -7.509 2.302 -2.005 1.00 0.00 C ATOM 686 OE1 GLU A 42 -6.295 2.407 -1.734 1.00 0.00 O ATOM 687 OE2 GLU A 42 -7.921 1.612 -2.965 1.00 0.00 O ATOM 0 H GLU A 42 -9.357 5.744 0.267 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.964 4.575 1.539 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.181 2.535 0.575 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.827 2.864 1.078 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.410 2.282 -1.017 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.858 3.881 -1.476 1.00 0.00 H new ATOM 694 N ILE A 43 -5.589 5.024 -0.521 1.00 0.00 N ATOM 695 CA ILE A 43 -4.665 5.525 -1.534 1.00 0.00 C ATOM 696 C ILE A 43 -4.047 4.309 -2.225 1.00 0.00 C ATOM 697 O ILE A 43 -3.308 3.542 -1.597 1.00 0.00 O ATOM 698 CB ILE A 43 -3.608 6.455 -0.890 1.00 0.00 C ATOM 699 CG1 ILE A 43 -4.217 7.827 -0.522 1.00 0.00 C ATOM 700 CG2 ILE A 43 -2.399 6.674 -1.818 1.00 0.00 C ATOM 701 CD1 ILE A 43 -3.426 8.554 0.570 1.00 0.00 C ATOM 0 H ILE A 43 -5.140 4.376 0.126 1.00 0.00 H new ATOM 0 HA ILE A 43 -5.179 6.133 -2.278 1.00 0.00 H new ATOM 0 HB ILE A 43 -3.269 5.956 0.018 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.256 8.453 -1.414 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.244 7.685 -0.187 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.680 7.332 -1.330 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -1.926 5.715 -2.032 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -2.733 7.130 -2.750 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.900 9.511 0.787 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.409 7.945 1.474 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -2.405 8.724 0.228 1.00 0.00 H new ATOM 713 N TYR A 44 -4.292 4.179 -3.529 1.00 0.00 N ATOM 714 CA TYR A 44 -3.693 3.157 -4.362 1.00 0.00 C ATOM 715 C TYR A 44 -2.714 3.797 -5.336 1.00 0.00 C ATOM 716 O TYR A 44 -2.677 5.011 -5.543 1.00 0.00 O ATOM 717 CB TYR A 44 -4.770 2.327 -5.074 1.00 0.00 C ATOM 718 CG TYR A 44 -5.588 2.995 -6.172 1.00 0.00 C ATOM 719 CD1 TYR A 44 -6.794 3.638 -5.843 1.00 0.00 C ATOM 720 CD2 TYR A 44 -5.232 2.849 -7.531 1.00 0.00 C ATOM 721 CE1 TYR A 44 -7.643 4.115 -6.859 1.00 0.00 C ATOM 722 CE2 TYR A 44 -6.095 3.297 -8.553 1.00 0.00 C ATOM 723 CZ TYR A 44 -7.322 3.917 -8.219 1.00 0.00 C ATOM 724 OH TYR A 44 -8.187 4.328 -9.193 1.00 0.00 O ATOM 0 H TYR A 44 -4.925 4.796 -4.037 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.133 2.463 -3.735 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -4.284 1.453 -5.507 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -5.464 1.963 -4.317 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -7.070 3.766 -4.807 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -4.290 2.390 -7.790 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -8.550 4.638 -6.595 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -5.819 3.167 -9.589 1.00 0.00 H new ATOM 0 HH TYR A 44 -7.812 4.117 -10.074 1.00 0.00 H new ATOM 734 N PHE A 45 -1.901 2.960 -5.968 1.00 0.00 N ATOM 735 CA PHE A 45 -1.031 3.374 -7.052 1.00 0.00 C ATOM 736 C PHE A 45 -0.819 2.188 -7.973 1.00 0.00 C ATOM 737 O PHE A 45 -0.798 1.043 -7.516 1.00 0.00 O ATOM 738 CB PHE A 45 0.310 3.879 -6.520 1.00 0.00 C ATOM 739 CG PHE A 45 0.884 3.161 -5.315 1.00 0.00 C ATOM 740 CD1 PHE A 45 0.576 3.623 -4.024 1.00 0.00 C ATOM 741 CD2 PHE A 45 1.817 2.120 -5.487 1.00 0.00 C ATOM 742 CE1 PHE A 45 1.233 3.074 -2.914 1.00 0.00 C ATOM 743 CE2 PHE A 45 2.525 1.619 -4.378 1.00 0.00 C ATOM 744 CZ PHE A 45 2.235 2.105 -3.095 1.00 0.00 C ATOM 0 H PHE A 45 -1.829 1.969 -5.738 1.00 0.00 H new ATOM 0 HA PHE A 45 -1.496 4.196 -7.596 1.00 0.00 H new ATOM 0 HB2 PHE A 45 1.039 3.821 -7.328 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.199 4.933 -6.266 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.164 4.398 -3.888 1.00 0.00 H new ATOM 0 HD2 PHE A 45 1.989 1.706 -6.470 1.00 0.00 H new ATOM 0 HE1 PHE A 45 0.969 3.396 -1.918 1.00 0.00 H new ATOM 0 HE2 PHE A 45 3.286 0.865 -4.515 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.784 1.733 -2.242 1.00 0.00 H new ATOM 754 N SER A 46 -0.623 2.456 -9.262 1.00 0.00 N ATOM 755 CA SER A 46 -0.416 1.424 -10.259 1.00 0.00 C ATOM 756 C SER A 46 1.032 0.959 -10.159 1.00 0.00 C ATOM 757 O SER A 46 1.954 1.672 -10.577 1.00 0.00 O ATOM 758 CB SER A 46 -0.767 1.981 -11.639 1.00 0.00 C ATOM 759 OG SER A 46 -0.973 0.926 -12.553 1.00 0.00 O ATOM 0 H SER A 46 -0.604 3.403 -9.640 1.00 0.00 H new ATOM 0 HA SER A 46 -1.062 0.562 -10.092 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.665 2.595 -11.573 1.00 0.00 H new ATOM 0 HB3 SER A 46 0.036 2.627 -11.993 1.00 0.00 H new ATOM 0 HG SER A 46 -1.199 1.295 -13.433 1.00 0.00 H new ATOM 765 N THR A 47 1.264 -0.198 -9.550 1.00 0.00 N ATOM 766 CA THR A 47 2.612 -0.689 -9.335 1.00 0.00 C ATOM 767 C THR A 47 3.177 -1.322 -10.615 1.00 0.00 C ATOM 768 O THR A 47 2.406 -1.851 -11.418 1.00 0.00 O ATOM 769 CB THR A 47 2.613 -1.687 -8.177 1.00 0.00 C ATOM 770 OG1 THR A 47 1.756 -2.781 -8.424 1.00 0.00 O ATOM 771 CG2 THR A 47 2.199 -1.114 -6.821 1.00 0.00 C ATOM 0 H THR A 47 0.531 -0.813 -9.197 1.00 0.00 H new ATOM 0 HA THR A 47 3.259 0.149 -9.076 1.00 0.00 H new ATOM 0 HB THR A 47 3.659 -1.988 -8.123 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.109 -3.580 -7.980 1.00 0.00 H new ATOM 0 HG21 THR A 47 2.233 -1.901 -6.068 1.00 0.00 H new ATOM 0 HG22 THR A 47 2.883 -0.314 -6.540 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.186 -0.718 -6.887 1.00 0.00 H new ATOM 779 N PRO A 48 4.503 -1.282 -10.819 1.00 0.00 N ATOM 780 CA PRO A 48 5.171 -1.873 -11.975 1.00 0.00 C ATOM 781 C PRO A 48 5.537 -3.357 -11.813 1.00 0.00 C ATOM 782 O PRO A 48 5.818 -4.020 -12.810 1.00 0.00 O ATOM 783 CB PRO A 48 6.421 -1.017 -12.172 1.00 0.00 C ATOM 784 CG PRO A 48 6.772 -0.562 -10.766 1.00 0.00 C ATOM 785 CD PRO A 48 5.408 -0.397 -10.107 1.00 0.00 C ATOM 0 HA PRO A 48 4.501 -1.873 -12.835 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.232 -1.590 -12.621 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.227 -0.170 -12.830 1.00 0.00 H new ATOM 0 HG2 PRO A 48 7.385 -1.298 -10.245 1.00 0.00 H new ATOM 0 HG3 PRO A 48 7.332 0.373 -10.773 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.453 -0.656 -9.049 1.00 0.00 H new ATOM 0 HD3 PRO A 48 5.069 0.637 -10.168 1.00 0.00 H new ATOM 793 N VAL A 49 5.551 -3.917 -10.598 1.00 0.00 N ATOM 794 CA VAL A 49 5.625 -5.366 -10.435 1.00 0.00 C ATOM 795 C VAL A 49 4.195 -5.884 -10.581 1.00 0.00 C ATOM 796 O VAL A 49 3.381 -5.736 -9.669 1.00 0.00 O ATOM 797 CB VAL A 49 6.234 -5.795 -9.094 1.00 0.00 C ATOM 798 CG1 VAL A 49 6.463 -7.310 -9.072 1.00 0.00 C ATOM 799 CG2 VAL A 49 7.568 -5.135 -8.712 1.00 0.00 C ATOM 0 H VAL A 49 5.512 -3.392 -9.724 1.00 0.00 H new ATOM 0 HA VAL A 49 6.291 -5.788 -11.188 1.00 0.00 H new ATOM 0 HB VAL A 49 5.495 -5.462 -8.366 1.00 0.00 H new ATOM 0 HG11 VAL A 49 6.895 -7.599 -8.114 1.00 0.00 H new ATOM 0 HG12 VAL A 49 5.512 -7.824 -9.210 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.145 -7.587 -9.876 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.899 -5.516 -7.746 1.00 0.00 H new ATOM 0 HG22 VAL A 49 8.318 -5.365 -9.469 1.00 0.00 H new ATOM 0 HG23 VAL A 49 7.435 -4.055 -8.649 1.00 0.00 H new ATOM 809 N ASN A 50 3.903 -6.531 -11.703 1.00 0.00 N ATOM 810 CA ASN A 50 2.591 -7.095 -12.025 1.00 0.00 C ATOM 811 C ASN A 50 2.524 -8.543 -11.518 1.00 0.00 C ATOM 812 O ASN A 50 2.226 -9.505 -12.239 1.00 0.00 O ATOM 813 CB ASN A 50 2.312 -6.922 -13.522 1.00 0.00 C ATOM 814 CG ASN A 50 0.905 -7.260 -13.967 1.00 0.00 C ATOM 815 OD1 ASN A 50 0.155 -7.985 -13.319 1.00 0.00 O ATOM 816 ND2 ASN A 50 0.532 -6.745 -15.126 1.00 0.00 N ATOM 0 H ASN A 50 4.592 -6.684 -12.439 1.00 0.00 H new ATOM 0 HA ASN A 50 1.789 -6.563 -11.514 1.00 0.00 H new ATOM 0 HB2 ASN A 50 2.522 -5.888 -13.796 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.010 -7.547 -14.078 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.395 -6.947 -15.499 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.172 -6.145 -15.647 1.00 0.00 H new ATOM 823 N VAL A 51 2.876 -8.708 -10.245 1.00 0.00 N ATOM 824 CA VAL A 51 2.645 -9.910 -9.456 1.00 0.00 C ATOM 825 C VAL A 51 1.203 -9.875 -8.970 1.00 0.00 C ATOM 826 O VAL A 51 0.611 -8.798 -8.854 1.00 0.00 O ATOM 827 CB VAL A 51 3.679 -9.970 -8.309 1.00 0.00 C ATOM 828 CG1 VAL A 51 3.726 -8.714 -7.442 1.00 0.00 C ATOM 829 CG2 VAL A 51 3.506 -11.152 -7.351 1.00 0.00 C ATOM 0 H VAL A 51 3.349 -7.976 -9.716 1.00 0.00 H new ATOM 0 HA VAL A 51 2.780 -10.820 -10.040 1.00 0.00 H new ATOM 0 HB VAL A 51 4.609 -10.081 -8.867 1.00 0.00 H new ATOM 0 HG11 VAL A 51 4.477 -8.838 -6.662 1.00 0.00 H new ATOM 0 HG12 VAL A 51 3.985 -7.854 -8.060 1.00 0.00 H new ATOM 0 HG13 VAL A 51 2.750 -8.551 -6.984 1.00 0.00 H new ATOM 0 HG21 VAL A 51 4.275 -11.111 -6.580 1.00 0.00 H new ATOM 0 HG22 VAL A 51 2.522 -11.101 -6.885 1.00 0.00 H new ATOM 0 HG23 VAL A 51 3.597 -12.086 -7.905 1.00 0.00 H new ATOM 839 N GLN A 52 0.636 -11.047 -8.671 1.00 0.00 N ATOM 840 CA GLN A 52 -0.607 -11.144 -7.937 1.00 0.00 C ATOM 841 C GLN A 52 -0.660 -12.243 -6.862 1.00 0.00 C ATOM 842 O GLN A 52 -1.709 -12.426 -6.254 1.00 0.00 O ATOM 843 CB GLN A 52 -1.780 -11.146 -8.898 1.00 0.00 C ATOM 844 CG GLN A 52 -1.870 -12.352 -9.802 1.00 0.00 C ATOM 845 CD GLN A 52 -1.602 -12.068 -11.284 1.00 0.00 C ATOM 846 OE1 GLN A 52 -2.249 -12.640 -12.156 1.00 0.00 O ATOM 847 NE2 GLN A 52 -0.670 -11.184 -11.606 1.00 0.00 N ATOM 0 H GLN A 52 1.033 -11.949 -8.935 1.00 0.00 H new ATOM 0 HA GLN A 52 -0.678 -10.245 -7.324 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.702 -11.075 -8.321 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -1.723 -10.251 -9.518 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -1.158 -13.101 -9.456 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -2.864 -12.788 -9.704 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -0.138 -10.714 -10.874 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -0.484 -10.973 -12.586 1.00 0.00 H new ATOM 856 N LYS A 53 0.425 -12.972 -6.592 1.00 0.00 N ATOM 857 CA LYS A 53 0.483 -14.013 -5.560 1.00 0.00 C ATOM 858 C LYS A 53 0.244 -13.450 -4.147 1.00 0.00 C ATOM 859 O LYS A 53 1.152 -12.855 -3.558 1.00 0.00 O ATOM 860 CB LYS A 53 1.824 -14.742 -5.738 1.00 0.00 C ATOM 861 CG LYS A 53 2.128 -15.830 -4.698 1.00 0.00 C ATOM 862 CD LYS A 53 3.278 -16.718 -5.201 1.00 0.00 C ATOM 863 CE LYS A 53 3.801 -17.637 -4.095 1.00 0.00 C ATOM 864 NZ LYS A 53 2.978 -18.841 -3.861 1.00 0.00 N ATOM 0 H LYS A 53 1.305 -12.854 -7.093 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.328 -14.732 -5.678 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.842 -15.196 -6.729 1.00 0.00 H new ATOM 0 HB3 LYS A 53 2.625 -14.004 -5.711 1.00 0.00 H new ATOM 0 HG2 LYS A 53 2.398 -15.372 -3.746 1.00 0.00 H new ATOM 0 HG3 LYS A 53 1.239 -16.435 -4.520 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.934 -17.319 -6.043 1.00 0.00 H new ATOM 0 HD3 LYS A 53 4.090 -16.090 -5.568 1.00 0.00 H new ATOM 0 HE2 LYS A 53 4.815 -17.948 -4.347 1.00 0.00 H new ATOM 0 HE3 LYS A 53 3.864 -17.069 -3.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 3.401 -19.408 -3.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 2.016 -18.556 -3.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 2.937 -19.408 -4.732 1.00 0.00 H new ATOM 878 N MET A 54 -0.963 -13.635 -3.593 1.00 0.00 N ATOM 879 CA MET A 54 -1.286 -13.285 -2.207 1.00 0.00 C ATOM 880 C MET A 54 -1.151 -14.507 -1.308 1.00 0.00 C ATOM 881 O MET A 54 -1.792 -15.517 -1.568 1.00 0.00 O ATOM 882 CB MET A 54 -2.671 -12.650 -2.004 1.00 0.00 C ATOM 883 CG MET A 54 -3.874 -13.297 -2.677 1.00 0.00 C ATOM 884 SD MET A 54 -4.114 -12.873 -4.411 1.00 0.00 S ATOM 885 CE MET A 54 -5.654 -13.776 -4.609 1.00 0.00 C ATOM 0 H MET A 54 -1.750 -14.037 -4.103 1.00 0.00 H new ATOM 0 HA MET A 54 -0.562 -12.517 -1.934 1.00 0.00 H new ATOM 0 HB2 MET A 54 -2.868 -12.620 -0.932 1.00 0.00 H new ATOM 0 HB3 MET A 54 -2.615 -11.617 -2.347 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.775 -14.379 -2.596 1.00 0.00 H new ATOM 0 HG3 MET A 54 -4.771 -13.017 -2.125 1.00 0.00 H new ATOM 0 HE1 MET A 54 -6.013 -13.663 -5.632 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.486 -14.832 -4.398 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.398 -13.382 -3.917 1.00 0.00 H new ATOM 895 N GLU A 55 -0.347 -14.425 -0.250 1.00 0.00 N ATOM 896 CA GLU A 55 -0.187 -15.506 0.734 1.00 0.00 C ATOM 897 C GLU A 55 -0.949 -15.237 2.026 1.00 0.00 C ATOM 898 O GLU A 55 -1.356 -16.166 2.718 1.00 0.00 O ATOM 899 CB GLU A 55 1.302 -15.670 1.047 1.00 0.00 C ATOM 900 CG GLU A 55 1.833 -16.998 0.526 1.00 0.00 C ATOM 901 CD GLU A 55 1.411 -18.253 1.278 1.00 0.00 C ATOM 902 OE1 GLU A 55 0.913 -18.198 2.418 1.00 0.00 O ATOM 903 OE2 GLU A 55 1.647 -19.334 0.693 1.00 0.00 O ATOM 0 H GLU A 55 0.219 -13.601 -0.045 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.599 -16.417 0.300 1.00 0.00 H new ATOM 0 HB2 GLU A 55 1.863 -14.850 0.598 1.00 0.00 H new ATOM 0 HB3 GLU A 55 1.458 -15.611 2.124 1.00 0.00 H new ATOM 0 HG2 GLU A 55 1.520 -17.104 -0.513 1.00 0.00 H new ATOM 0 HG3 GLU A 55 2.922 -16.952 0.528 1.00 0.00 H new ATOM 910 N ASN A 56 -1.218 -13.968 2.337 1.00 0.00 N ATOM 911 CA ASN A 56 -2.003 -13.612 3.513 1.00 0.00 C ATOM 912 C ASN A 56 -3.317 -12.955 3.087 1.00 0.00 C ATOM 913 O ASN A 56 -3.531 -11.809 3.477 1.00 0.00 O ATOM 914 CB ASN A 56 -1.149 -12.744 4.461 1.00 0.00 C ATOM 915 CG ASN A 56 -1.867 -12.453 5.775 1.00 0.00 C ATOM 916 OD1 ASN A 56 -2.741 -13.198 6.211 1.00 0.00 O ATOM 917 ND2 ASN A 56 -1.506 -11.384 6.457 1.00 0.00 N ATOM 0 H ASN A 56 -0.901 -13.170 1.787 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.281 -14.504 4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.207 -13.253 4.668 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.902 -11.804 3.967 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.953 -11.174 7.349 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.780 -10.767 6.092 1.00 0.00 H new ATOM 924 N PRO A 57 -4.166 -13.588 2.243 1.00 0.00 N ATOM 925 CA PRO A 57 -5.417 -12.989 1.809 1.00 0.00 C ATOM 926 C PRO A 57 -6.352 -12.805 3.005 1.00 0.00 C ATOM 927 O PRO A 57 -6.622 -13.747 3.756 1.00 0.00 O ATOM 928 CB PRO A 57 -6.010 -13.918 0.748 1.00 0.00 C ATOM 929 CG PRO A 57 -5.428 -15.279 1.108 1.00 0.00 C ATOM 930 CD PRO A 57 -4.050 -14.918 1.653 1.00 0.00 C ATOM 0 HA PRO A 57 -5.265 -11.998 1.382 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -7.099 -13.925 0.783 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.725 -13.612 -0.259 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -6.035 -15.796 1.851 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -5.362 -15.934 0.239 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -3.726 -15.645 2.398 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -3.305 -14.924 0.857 1.00 0.00 H new ATOM 938 N ARG A 58 -6.844 -11.582 3.183 1.00 0.00 N ATOM 939 CA ARG A 58 -7.690 -11.164 4.287 1.00 0.00 C ATOM 940 C ARG A 58 -8.802 -10.325 3.688 1.00 0.00 C ATOM 941 O ARG A 58 -8.530 -9.365 2.969 1.00 0.00 O ATOM 942 CB ARG A 58 -6.887 -10.302 5.269 1.00 0.00 C ATOM 943 CG ARG A 58 -5.781 -11.023 6.051 1.00 0.00 C ATOM 944 CD ARG A 58 -6.304 -11.887 7.197 1.00 0.00 C ATOM 945 NE ARG A 58 -5.310 -11.913 8.285 1.00 0.00 N ATOM 946 CZ ARG A 58 -5.176 -12.821 9.253 1.00 0.00 C ATOM 947 NH1 ARG A 58 -5.899 -13.930 9.245 1.00 0.00 N ATOM 948 NH2 ARG A 58 -4.294 -12.609 10.217 1.00 0.00 N ATOM 0 H ARG A 58 -6.652 -10.823 2.529 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.079 -12.028 4.825 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -6.435 -9.480 4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -7.581 -9.860 5.984 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.213 -11.651 5.365 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -5.090 -10.282 6.452 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -7.250 -11.490 7.564 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -6.499 -12.900 6.844 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.643 -11.142 8.300 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.567 -14.098 8.493 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -5.788 -14.617 9.991 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -3.728 -11.760 10.213 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -4.180 -13.294 10.964 1.00 0.00 H new ATOM 962 N GLU A 59 -10.045 -10.661 4.003 1.00 0.00 N ATOM 963 CA GLU A 59 -11.194 -9.873 3.564 1.00 0.00 C ATOM 964 C GLU A 59 -11.554 -8.796 4.596 1.00 0.00 C ATOM 965 O GLU A 59 -12.503 -8.063 4.365 1.00 0.00 O ATOM 966 CB GLU A 59 -12.385 -10.796 3.255 1.00 0.00 C ATOM 967 CG GLU A 59 -12.130 -11.682 2.023 1.00 0.00 C ATOM 968 CD GLU A 59 -13.149 -12.816 1.907 1.00 0.00 C ATOM 969 OE1 GLU A 59 -14.371 -12.565 1.755 1.00 0.00 O ATOM 970 OE2 GLU A 59 -12.746 -13.993 2.002 1.00 0.00 O ATOM 0 H GLU A 59 -10.287 -11.478 4.564 1.00 0.00 H new ATOM 0 HA GLU A 59 -10.929 -9.352 2.644 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -12.586 -11.428 4.120 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.277 -10.192 3.088 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -12.167 -11.069 1.123 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -11.126 -12.102 2.081 1.00 0.00 H new ATOM 977 N VAL A 60 -10.835 -8.672 5.720 1.00 0.00 N ATOM 978 CA VAL A 60 -11.041 -7.645 6.746 1.00 0.00 C ATOM 979 C VAL A 60 -9.652 -7.174 7.185 1.00 0.00 C ATOM 980 O VAL A 60 -8.736 -7.999 7.286 1.00 0.00 O ATOM 981 CB VAL A 60 -11.873 -8.214 7.923 1.00 0.00 C ATOM 982 CG1 VAL A 60 -12.119 -7.182 9.028 1.00 0.00 C ATOM 983 CG2 VAL A 60 -13.242 -8.746 7.493 1.00 0.00 C ATOM 0 H VAL A 60 -10.069 -9.306 5.946 1.00 0.00 H new ATOM 0 HA VAL A 60 -11.610 -6.799 6.360 1.00 0.00 H new ATOM 0 HB VAL A 60 -11.261 -9.033 8.300 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -12.706 -7.636 9.826 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -11.164 -6.843 9.429 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -12.662 -6.331 8.617 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -13.773 -9.130 8.364 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -13.820 -7.940 7.041 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -13.109 -9.548 6.767 1.00 0.00 H new ATOM 993 N VAL A 61 -9.481 -5.877 7.442 1.00 0.00 N ATOM 994 CA VAL A 61 -8.192 -5.231 7.703 1.00 0.00 C ATOM 995 C VAL A 61 -8.358 -4.178 8.813 1.00 0.00 C ATOM 996 O VAL A 61 -9.477 -3.935 9.275 1.00 0.00 O ATOM 997 CB VAL A 61 -7.645 -4.617 6.390 1.00 0.00 C ATOM 998 CG1 VAL A 61 -7.448 -5.675 5.286 1.00 0.00 C ATOM 999 CG2 VAL A 61 -8.557 -3.501 5.859 1.00 0.00 C ATOM 0 H VAL A 61 -10.263 -5.223 7.476 1.00 0.00 H new ATOM 0 HA VAL A 61 -7.465 -5.964 8.052 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.673 -4.195 6.644 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -7.063 -5.195 4.386 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -6.738 -6.429 5.627 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -8.403 -6.151 5.063 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.138 -3.097 4.937 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.549 -3.906 5.660 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -8.632 -2.707 6.602 1.00 0.00 H new ATOM 1009 N GLU A 62 -7.256 -3.572 9.260 1.00 0.00 N ATOM 1010 CA GLU A 62 -7.250 -2.483 10.239 1.00 0.00 C ATOM 1011 C GLU A 62 -7.052 -1.126 9.546 1.00 0.00 C ATOM 1012 O GLU A 62 -6.958 -1.036 8.323 1.00 0.00 O ATOM 1013 CB GLU A 62 -6.156 -2.693 11.300 1.00 0.00 C ATOM 1014 CG GLU A 62 -6.176 -4.082 11.931 1.00 0.00 C ATOM 1015 CD GLU A 62 -5.204 -4.257 13.101 1.00 0.00 C ATOM 1016 OE1 GLU A 62 -4.244 -3.476 13.292 1.00 0.00 O ATOM 1017 OE2 GLU A 62 -5.504 -5.113 13.968 1.00 0.00 O ATOM 0 H GLU A 62 -6.321 -3.831 8.944 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.219 -2.486 10.738 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.181 -2.525 10.843 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -6.274 -1.945 12.084 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -7.187 -4.296 12.279 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -5.940 -4.820 11.164 1.00 0.00 H new ATOM 1024 N ILE A 63 -6.968 -0.059 10.344 1.00 0.00 N ATOM 1025 CA ILE A 63 -6.876 1.332 9.885 1.00 0.00 C ATOM 1026 C ILE A 63 -5.424 1.763 9.600 1.00 0.00 C ATOM 1027 O ILE A 63 -5.186 2.906 9.240 1.00 0.00 O ATOM 1028 CB ILE A 63 -7.584 2.277 10.911 1.00 0.00 C ATOM 1029 CG1 ILE A 63 -9.012 1.782 11.241 1.00 0.00 C ATOM 1030 CG2 ILE A 63 -7.742 3.702 10.340 1.00 0.00 C ATOM 1031 CD1 ILE A 63 -9.729 2.507 12.394 1.00 0.00 C ATOM 0 H ILE A 63 -6.962 -0.140 11.361 1.00 0.00 H new ATOM 0 HA ILE A 63 -7.396 1.410 8.930 1.00 0.00 H new ATOM 0 HB ILE A 63 -6.956 2.278 11.802 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -9.624 1.875 10.344 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -8.960 0.720 11.482 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -8.237 4.336 11.076 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -6.759 4.113 10.110 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -8.342 3.665 9.430 1.00 0.00 H new ATOM 0 HD11 ILE A 63 -10.720 2.076 12.534 1.00 0.00 H new ATOM 0 HD12 ILE A 63 -9.151 2.393 13.311 1.00 0.00 H new ATOM 0 HD13 ILE A 63 -9.825 3.566 12.154 1.00 0.00 H new ATOM 1043 N GLY A 64 -4.449 0.868 9.759 1.00 0.00 N ATOM 1044 CA GLY A 64 -3.024 1.145 9.603 1.00 0.00 C ATOM 1045 C GLY A 64 -2.242 -0.040 9.080 1.00 0.00 C ATOM 1046 O GLY A 64 -1.143 -0.342 9.563 1.00 0.00 O ATOM 0 H GLY A 64 -4.638 -0.103 10.009 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -2.896 1.986 8.922 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -2.612 1.449 10.565 1.00 0.00 H new ATOM 1050 N ASP A 65 -2.779 -0.710 8.066 1.00 0.00 N ATOM 1051 CA ASP A 65 -2.194 -1.909 7.437 1.00 0.00 C ATOM 1052 C ASP A 65 -2.092 -1.621 5.944 1.00 0.00 C ATOM 1053 O ASP A 65 -2.656 -0.627 5.491 1.00 0.00 O ATOM 1054 CB ASP A 65 -3.130 -3.115 7.543 1.00 0.00 C ATOM 1055 CG ASP A 65 -3.495 -3.647 8.926 1.00 0.00 C ATOM 1056 OD1 ASP A 65 -2.900 -3.240 9.944 1.00 0.00 O ATOM 1057 OD2 ASP A 65 -4.403 -4.509 8.972 1.00 0.00 O ATOM 0 H ASP A 65 -3.662 -0.432 7.639 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.244 -2.125 7.926 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -4.059 -2.857 7.034 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -2.677 -3.934 6.984 1.00 0.00 H new ATOM 1062 N VAL A 66 -1.488 -2.519 5.157 1.00 0.00 N ATOM 1063 CA VAL A 66 -1.391 -2.407 3.701 1.00 0.00 C ATOM 1064 C VAL A 66 -1.981 -3.662 3.092 1.00 0.00 C ATOM 1065 O VAL A 66 -1.838 -4.735 3.686 1.00 0.00 O ATOM 1066 CB VAL A 66 0.098 -2.227 3.365 1.00 0.00 C ATOM 1067 CG1 VAL A 66 0.407 -2.340 1.872 1.00 0.00 C ATOM 1068 CG2 VAL A 66 0.523 -0.862 3.898 1.00 0.00 C ATOM 0 H VAL A 66 -1.044 -3.361 5.525 1.00 0.00 H new ATOM 0 HA VAL A 66 -1.943 -1.558 3.298 1.00 0.00 H new ATOM 0 HB VAL A 66 0.659 -3.035 3.834 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.476 -2.202 1.710 1.00 0.00 H new ATOM 0 HG12 VAL A 66 0.109 -3.325 1.512 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -0.144 -1.573 1.327 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.578 -0.698 3.678 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -0.073 -0.084 3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.368 -0.828 4.976 1.00 0.00 H new ATOM 1078 N GLY A 67 -2.595 -3.541 1.914 1.00 0.00 N ATOM 1079 CA GLY A 67 -3.090 -4.676 1.160 1.00 0.00 C ATOM 1080 C GLY A 67 -2.693 -4.494 -0.300 1.00 0.00 C ATOM 1081 O GLY A 67 -2.578 -3.363 -0.773 1.00 0.00 O ATOM 0 H GLY A 67 -2.760 -2.643 1.460 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.674 -5.603 1.553 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -4.174 -4.749 1.252 1.00 0.00 H new ATOM 1085 N TYR A 68 -2.435 -5.577 -1.036 1.00 0.00 N ATOM 1086 CA TYR A 68 -2.231 -5.489 -2.488 1.00 0.00 C ATOM 1087 C TYR A 68 -3.550 -5.742 -3.208 1.00 0.00 C ATOM 1088 O TYR A 68 -4.279 -6.640 -2.798 1.00 0.00 O ATOM 1089 CB TYR A 68 -1.206 -6.530 -2.933 1.00 0.00 C ATOM 1090 CG TYR A 68 -0.747 -6.335 -4.351 1.00 0.00 C ATOM 1091 CD1 TYR A 68 0.098 -5.261 -4.681 1.00 0.00 C ATOM 1092 CD2 TYR A 68 -1.201 -7.214 -5.348 1.00 0.00 C ATOM 1093 CE1 TYR A 68 0.520 -5.088 -6.010 1.00 0.00 C ATOM 1094 CE2 TYR A 68 -0.753 -7.071 -6.665 1.00 0.00 C ATOM 1095 CZ TYR A 68 0.138 -6.029 -6.993 1.00 0.00 C ATOM 1096 OH TYR A 68 0.658 -5.978 -8.247 1.00 0.00 O ATOM 0 H TYR A 68 -2.362 -6.521 -0.656 1.00 0.00 H new ATOM 0 HA TYR A 68 -1.865 -4.492 -2.735 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -0.343 -6.489 -2.269 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -1.639 -7.525 -2.831 1.00 0.00 H new ATOM 0 HD1 TYR A 68 0.422 -4.571 -3.916 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -1.897 -8.001 -5.097 1.00 0.00 H new ATOM 0 HE1 TYR A 68 1.133 -4.240 -6.279 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -1.089 -7.757 -7.429 1.00 0.00 H new ATOM 0 HH TYR A 68 0.724 -6.885 -8.611 1.00 0.00 H new ATOM 1106 N TRP A 69 -3.839 -5.027 -4.297 1.00 0.00 N ATOM 1107 CA TRP A 69 -5.063 -5.153 -5.076 1.00 0.00 C ATOM 1108 C TRP A 69 -4.744 -5.726 -6.463 1.00 0.00 C ATOM 1109 O TRP A 69 -4.546 -4.979 -7.429 1.00 0.00 O ATOM 1110 CB TRP A 69 -5.865 -3.844 -5.116 1.00 0.00 C ATOM 1111 CG TRP A 69 -7.305 -4.042 -5.498 1.00 0.00 C ATOM 1112 CD1 TRP A 69 -8.172 -4.870 -4.868 1.00 0.00 C ATOM 1113 CD2 TRP A 69 -8.093 -3.363 -6.523 1.00 0.00 C ATOM 1114 NE1 TRP A 69 -9.416 -4.780 -5.453 1.00 0.00 N ATOM 1115 CE2 TRP A 69 -9.438 -3.825 -6.442 1.00 0.00 C ATOM 1116 CE3 TRP A 69 -7.829 -2.347 -7.460 1.00 0.00 C ATOM 1117 CZ2 TRP A 69 -10.464 -3.312 -7.245 1.00 0.00 C ATOM 1118 CZ3 TRP A 69 -8.861 -1.784 -8.235 1.00 0.00 C ATOM 1119 CH2 TRP A 69 -10.176 -2.272 -8.143 1.00 0.00 C ATOM 0 H TRP A 69 -3.203 -4.322 -4.670 1.00 0.00 H new ATOM 0 HA TRP A 69 -5.724 -5.863 -4.580 1.00 0.00 H new ATOM 0 HB2 TRP A 69 -5.818 -3.367 -4.137 1.00 0.00 H new ATOM 0 HB3 TRP A 69 -5.398 -3.161 -5.826 1.00 0.00 H new ATOM 0 HD1 TRP A 69 -7.925 -5.506 -4.031 1.00 0.00 H new ATOM 0 HE1 TRP A 69 -10.219 -5.350 -5.186 1.00 0.00 H new ATOM 0 HE3 TRP A 69 -6.817 -1.993 -7.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 -11.465 -3.712 -7.174 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 -8.640 -0.968 -8.907 1.00 0.00 H new ATOM 0 HH2 TRP A 69 -10.958 -1.851 -8.758 1.00 0.00 H new ATOM 1130 N PRO A 70 -4.680 -7.064 -6.608 1.00 0.00 N ATOM 1131 CA PRO A 70 -4.304 -7.677 -7.871 1.00 0.00 C ATOM 1132 C PRO A 70 -5.284 -7.425 -9.047 1.00 0.00 C ATOM 1133 O PRO A 70 -4.794 -7.267 -10.167 1.00 0.00 O ATOM 1134 CB PRO A 70 -4.094 -9.152 -7.528 1.00 0.00 C ATOM 1135 CG PRO A 70 -4.998 -9.440 -6.331 1.00 0.00 C ATOM 1136 CD PRO A 70 -5.203 -8.071 -5.681 1.00 0.00 C ATOM 0 HA PRO A 70 -3.400 -7.220 -8.274 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.352 -9.790 -8.374 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -3.050 -9.351 -7.285 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -5.946 -9.879 -6.643 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -4.533 -10.144 -5.640 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -6.260 -7.896 -5.480 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -4.684 -8.019 -4.724 1.00 0.00 H new ATOM 1144 N PRO A 71 -6.622 -7.300 -8.887 1.00 0.00 N ATOM 1145 CA PRO A 71 -7.556 -7.148 -9.999 1.00 0.00 C ATOM 1146 C PRO A 71 -7.486 -5.744 -10.636 1.00 0.00 C ATOM 1147 O PRO A 71 -8.072 -5.545 -11.706 1.00 0.00 O ATOM 1148 CB PRO A 71 -8.939 -7.498 -9.417 1.00 0.00 C ATOM 1149 CG PRO A 71 -8.822 -7.067 -7.959 1.00 0.00 C ATOM 1150 CD PRO A 71 -7.375 -7.303 -7.652 1.00 0.00 C ATOM 0 HA PRO A 71 -7.313 -7.810 -10.830 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.739 -6.966 -9.931 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -9.156 -8.562 -9.506 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.098 -6.021 -7.824 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -9.473 -7.654 -7.311 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -7.002 -6.528 -6.982 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.250 -8.256 -7.138 1.00 0.00 H new ATOM 1158 N GLY A 72 -6.730 -4.811 -10.039 1.00 0.00 N ATOM 1159 CA GLY A 72 -6.391 -3.497 -10.582 1.00 0.00 C ATOM 1160 C GLY A 72 -4.884 -3.242 -10.672 1.00 0.00 C ATOM 1161 O GLY A 72 -4.482 -2.118 -10.968 1.00 0.00 O ATOM 0 H GLY A 72 -6.320 -4.965 -9.118 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -6.828 -3.400 -11.576 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -6.845 -2.727 -9.958 1.00 0.00 H new ATOM 1165 N LYS A 73 -4.042 -4.264 -10.441 1.00 0.00 N ATOM 1166 CA LYS A 73 -2.576 -4.156 -10.479 1.00 0.00 C ATOM 1167 C LYS A 73 -2.056 -3.063 -9.525 1.00 0.00 C ATOM 1168 O LYS A 73 -1.030 -2.440 -9.819 1.00 0.00 O ATOM 1169 CB LYS A 73 -2.092 -3.984 -11.949 1.00 0.00 C ATOM 1170 CG LYS A 73 -1.460 -5.244 -12.563 1.00 0.00 C ATOM 1171 CD LYS A 73 -2.385 -5.995 -13.523 1.00 0.00 C ATOM 1172 CE LYS A 73 -3.512 -6.708 -12.768 1.00 0.00 C ATOM 1173 NZ LYS A 73 -4.805 -6.695 -13.483 1.00 0.00 N ATOM 0 H LYS A 73 -4.369 -5.204 -10.219 1.00 0.00 H new ATOM 0 HA LYS A 73 -2.142 -5.084 -10.107 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -2.939 -3.681 -12.564 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -1.365 -3.173 -11.986 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -0.552 -4.961 -13.095 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -1.162 -5.918 -11.760 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -2.812 -5.295 -14.242 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -1.808 -6.724 -14.092 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.218 -7.742 -12.585 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.640 -6.236 -11.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -5.520 -7.194 -12.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -5.108 -5.712 -13.635 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -4.698 -7.171 -14.402 1.00 0.00 H new ATOM 1187 N ALA A 74 -2.717 -2.830 -8.390 1.00 0.00 N ATOM 1188 CA ALA A 74 -2.467 -1.660 -7.569 1.00 0.00 C ATOM 1189 C ALA A 74 -2.109 -2.051 -6.141 1.00 0.00 C ATOM 1190 O ALA A 74 -2.282 -3.200 -5.735 1.00 0.00 O ATOM 1191 CB ALA A 74 -3.696 -0.746 -7.613 1.00 0.00 C ATOM 0 H ALA A 74 -3.438 -3.450 -8.021 1.00 0.00 H new ATOM 0 HA ALA A 74 -1.609 -1.119 -7.967 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.516 0.136 -6.998 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.884 -0.439 -8.642 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -4.563 -1.284 -7.230 1.00 0.00 H new ATOM 1197 N LEU A 75 -1.628 -1.074 -5.372 1.00 0.00 N ATOM 1198 CA LEU A 75 -1.584 -1.153 -3.914 1.00 0.00 C ATOM 1199 C LEU A 75 -2.964 -0.816 -3.323 1.00 0.00 C ATOM 1200 O LEU A 75 -3.920 -0.614 -4.069 1.00 0.00 O ATOM 1201 CB LEU A 75 -0.515 -0.190 -3.366 1.00 0.00 C ATOM 1202 CG LEU A 75 0.116 -0.749 -2.066 1.00 0.00 C ATOM 1203 CD1 LEU A 75 1.403 -1.505 -2.417 1.00 0.00 C ATOM 1204 CD2 LEU A 75 0.389 0.322 -1.000 1.00 0.00 C ATOM 0 H LEU A 75 -1.256 -0.201 -5.746 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.321 -2.170 -3.622 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.261 -0.037 -4.116 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.963 0.784 -3.168 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.613 -1.425 -1.619 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.852 -1.901 -1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 75 1.169 -2.327 -3.093 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.104 -0.825 -2.901 1.00 0.00 H new ATOM 0 HD21 LEU A 75 0.830 -0.145 -0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.078 1.066 -1.400 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.547 0.806 -0.723 1.00 0.00 H new ATOM 1216 N CYS A 76 -3.047 -0.726 -1.996 1.00 0.00 N ATOM 1217 CA CYS A 76 -4.132 -0.156 -1.222 1.00 0.00 C ATOM 1218 C CYS A 76 -3.533 0.292 0.121 1.00 0.00 C ATOM 1219 O CYS A 76 -2.646 -0.394 0.649 1.00 0.00 O ATOM 1220 CB CYS A 76 -5.196 -1.242 -1.027 1.00 0.00 C ATOM 1221 SG CYS A 76 -6.753 -0.458 -0.577 1.00 0.00 S ATOM 0 H CYS A 76 -2.300 -1.077 -1.397 1.00 0.00 H new ATOM 0 HA CYS A 76 -4.600 0.697 -1.714 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -5.316 -1.821 -1.943 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -4.886 -1.938 -0.248 1.00 0.00 H new ATOM 0 HG CYS A 76 -7.190 -0.968 0.536 1.00 0.00 H new ATOM 1227 N LEU A 77 -4.007 1.410 0.676 1.00 0.00 N ATOM 1228 CA LEU A 77 -3.553 2.000 1.942 1.00 0.00 C ATOM 1229 C LEU A 77 -4.783 2.410 2.728 1.00 0.00 C ATOM 1230 O LEU A 77 -5.375 3.418 2.371 1.00 0.00 O ATOM 1231 CB LEU A 77 -2.701 3.271 1.699 1.00 0.00 C ATOM 1232 CG LEU A 77 -1.238 3.014 1.320 1.00 0.00 C ATOM 1233 CD1 LEU A 77 -0.580 4.293 0.787 1.00 0.00 C ATOM 1234 CD2 LEU A 77 -0.438 2.546 2.536 1.00 0.00 C ATOM 0 H LEU A 77 -4.750 1.954 0.238 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.946 1.267 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -3.168 3.856 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.724 3.882 2.601 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.236 2.243 0.549 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.458 4.086 0.525 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -1.116 4.637 -0.097 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.613 5.066 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 77 0.597 2.369 2.244 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -0.471 3.312 3.310 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -0.869 1.622 2.921 1.00 0.00 H new ATOM 1246 N PHE A 78 -5.193 1.671 3.758 1.00 0.00 N ATOM 1247 CA PHE A 78 -6.410 2.002 4.502 1.00 0.00 C ATOM 1248 C PHE A 78 -6.084 2.977 5.618 1.00 0.00 C ATOM 1249 O PHE A 78 -5.116 2.743 6.338 1.00 0.00 O ATOM 1250 CB PHE A 78 -7.030 0.733 5.106 1.00 0.00 C ATOM 1251 CG PHE A 78 -7.167 -0.386 4.104 1.00 0.00 C ATOM 1252 CD1 PHE A 78 -8.191 -0.327 3.146 1.00 0.00 C ATOM 1253 CD2 PHE A 78 -6.203 -1.411 4.052 1.00 0.00 C ATOM 1254 CE1 PHE A 78 -8.272 -1.309 2.147 1.00 0.00 C ATOM 1255 CE2 PHE A 78 -6.264 -2.366 3.026 1.00 0.00 C ATOM 1256 CZ PHE A 78 -7.290 -2.311 2.074 1.00 0.00 C ATOM 0 H PHE A 78 -4.704 0.842 4.096 1.00 0.00 H new ATOM 0 HA PHE A 78 -7.123 2.456 3.814 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -6.414 0.395 5.939 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -8.013 0.973 5.513 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -8.916 0.473 3.178 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -5.422 -1.462 4.797 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -9.086 -1.295 1.437 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.518 -3.145 2.970 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.326 -3.042 1.280 1.00 0.00 H new ATOM 1266 N PHE A 79 -6.905 4.020 5.799 1.00 0.00 N ATOM 1267 CA PHE A 79 -6.701 4.952 6.906 1.00 0.00 C ATOM 1268 C PHE A 79 -7.965 5.589 7.486 1.00 0.00 C ATOM 1269 O PHE A 79 -7.839 6.460 8.348 1.00 0.00 O ATOM 1270 CB PHE A 79 -5.644 5.991 6.544 1.00 0.00 C ATOM 1271 CG PHE A 79 -5.886 6.721 5.240 1.00 0.00 C ATOM 1272 CD1 PHE A 79 -5.427 6.160 4.037 1.00 0.00 C ATOM 1273 CD2 PHE A 79 -6.600 7.936 5.224 1.00 0.00 C ATOM 1274 CE1 PHE A 79 -5.655 6.809 2.816 1.00 0.00 C ATOM 1275 CE2 PHE A 79 -6.850 8.573 3.992 1.00 0.00 C ATOM 1276 CZ PHE A 79 -6.373 8.017 2.788 1.00 0.00 C ATOM 0 H PHE A 79 -7.703 4.234 5.201 1.00 0.00 H new ATOM 0 HA PHE A 79 -6.336 4.338 7.729 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -5.586 6.724 7.348 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -4.674 5.497 6.492 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -4.894 5.221 4.053 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -6.952 8.374 6.146 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -5.280 6.382 1.898 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -7.412 9.495 3.970 1.00 0.00 H new ATOM 0 HZ PHE A 79 -6.558 8.517 1.849 1.00 0.00 H new ATOM 1286 N GLY A 80 -9.182 5.160 7.134 1.00 0.00 N ATOM 1287 CA GLY A 80 -10.323 5.576 7.951 1.00 0.00 C ATOM 1288 C GLY A 80 -11.677 5.138 7.438 1.00 0.00 C ATOM 1289 O GLY A 80 -12.529 5.992 7.193 1.00 0.00 O ATOM 0 H GLY A 80 -9.396 4.560 6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -10.190 5.183 8.959 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -10.316 6.663 8.029 1.00 0.00 H new ATOM 1293 N LYS A 81 -11.892 3.821 7.375 1.00 0.00 N ATOM 1294 CA LYS A 81 -13.041 3.155 6.744 1.00 0.00 C ATOM 1295 C LYS A 81 -12.843 3.218 5.224 1.00 0.00 C ATOM 1296 O LYS A 81 -11.819 3.719 4.778 1.00 0.00 O ATOM 1297 CB LYS A 81 -14.379 3.731 7.288 1.00 0.00 C ATOM 1298 CG LYS A 81 -15.384 2.702 7.829 1.00 0.00 C ATOM 1299 CD LYS A 81 -16.446 2.265 6.820 1.00 0.00 C ATOM 1300 CE LYS A 81 -17.462 1.286 7.435 1.00 0.00 C ATOM 1301 NZ LYS A 81 -18.385 1.935 8.391 1.00 0.00 N ATOM 0 H LYS A 81 -11.237 3.154 7.783 1.00 0.00 H new ATOM 0 HA LYS A 81 -13.102 2.098 7.003 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -14.150 4.439 8.084 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -14.861 4.295 6.489 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -14.837 1.822 8.167 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -15.882 3.123 8.703 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -16.971 3.143 6.444 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.961 1.794 5.965 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -18.042 0.823 6.636 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -16.925 0.486 7.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -19.137 1.267 8.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -17.860 2.219 9.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -18.808 2.776 7.949 1.00 0.00 H new ATOM 1315 N THR A 82 -13.758 2.657 4.444 1.00 0.00 N ATOM 1316 CA THR A 82 -13.733 2.653 2.982 1.00 0.00 C ATOM 1317 C THR A 82 -15.192 2.490 2.524 1.00 0.00 C ATOM 1318 O THR A 82 -16.016 2.004 3.308 1.00 0.00 O ATOM 1319 CB THR A 82 -12.838 1.492 2.451 1.00 0.00 C ATOM 1320 OG1 THR A 82 -12.669 0.440 3.401 1.00 0.00 O ATOM 1321 CG2 THR A 82 -11.448 1.968 2.011 1.00 0.00 C ATOM 0 H THR A 82 -14.571 2.173 4.825 1.00 0.00 H new ATOM 0 HA THR A 82 -13.307 3.576 2.589 1.00 0.00 H new ATOM 0 HB THR A 82 -13.380 1.110 1.586 1.00 0.00 H new ATOM 0 HG1 THR A 82 -12.848 -0.422 2.970 1.00 0.00 H new ATOM 0 HG21 THR A 82 -10.869 1.117 1.651 1.00 0.00 H new ATOM 0 HG22 THR A 82 -11.551 2.702 1.211 1.00 0.00 H new ATOM 0 HG23 THR A 82 -10.935 2.424 2.858 1.00 0.00 H new ATOM 1329 N PRO A 83 -15.552 2.845 1.277 1.00 0.00 N ATOM 1330 CA PRO A 83 -16.928 2.754 0.785 1.00 0.00 C ATOM 1331 C PRO A 83 -17.381 1.299 0.658 1.00 0.00 C ATOM 1332 O PRO A 83 -18.555 0.980 0.831 1.00 0.00 O ATOM 1333 CB PRO A 83 -16.918 3.464 -0.573 1.00 0.00 C ATOM 1334 CG PRO A 83 -15.474 3.307 -1.052 1.00 0.00 C ATOM 1335 CD PRO A 83 -14.684 3.393 0.252 1.00 0.00 C ATOM 0 HA PRO A 83 -17.635 3.217 1.473 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -17.623 3.008 -1.269 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -17.197 4.513 -0.479 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -15.316 2.356 -1.561 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -15.190 4.093 -1.751 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -13.754 2.828 0.184 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -14.414 4.425 0.478 1.00 0.00 H new ATOM 1343 N MET A 84 -16.433 0.391 0.433 1.00 0.00 N ATOM 1344 CA MET A 84 -16.659 -1.042 0.346 1.00 0.00 C ATOM 1345 C MET A 84 -16.805 -1.666 1.738 1.00 0.00 C ATOM 1346 O MET A 84 -16.412 -2.808 1.968 1.00 0.00 O ATOM 1347 CB MET A 84 -15.539 -1.653 -0.510 1.00 0.00 C ATOM 1348 CG MET A 84 -16.082 -2.719 -1.466 1.00 0.00 C ATOM 1349 SD MET A 84 -16.228 -4.376 -0.749 1.00 0.00 S ATOM 1350 CE MET A 84 -17.495 -5.078 -1.828 1.00 0.00 C ATOM 0 H MET A 84 -15.454 0.646 0.302 1.00 0.00 H new ATOM 0 HA MET A 84 -17.606 -1.259 -0.147 1.00 0.00 H new ATOM 0 HB2 MET A 84 -15.047 -0.867 -1.082 1.00 0.00 H new ATOM 0 HB3 MET A 84 -14.784 -2.096 0.139 1.00 0.00 H new ATOM 0 HG2 MET A 84 -17.063 -2.404 -1.820 1.00 0.00 H new ATOM 0 HG3 MET A 84 -15.430 -2.771 -2.338 1.00 0.00 H new ATOM 0 HE1 MET A 84 -17.706 -6.103 -1.523 1.00 0.00 H new ATOM 0 HE2 MET A 84 -18.405 -4.483 -1.755 1.00 0.00 H new ATOM 0 HE3 MET A 84 -17.139 -5.072 -2.858 1.00 0.00 H new ATOM 1360 N SER A 85 -17.350 -0.925 2.704 1.00 0.00 N ATOM 1361 CA SER A 85 -17.724 -1.495 3.979 1.00 0.00 C ATOM 1362 C SER A 85 -18.924 -0.788 4.589 1.00 0.00 C ATOM 1363 O SER A 85 -19.306 0.310 4.178 1.00 0.00 O ATOM 1364 CB SER A 85 -16.522 -1.527 4.928 1.00 0.00 C ATOM 1365 OG SER A 85 -15.702 -0.382 4.884 1.00 0.00 O ATOM 0 H SER A 85 -17.539 0.074 2.617 1.00 0.00 H new ATOM 0 HA SER A 85 -18.036 -2.525 3.808 1.00 0.00 H new ATOM 0 HB2 SER A 85 -16.885 -1.657 5.947 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.914 -2.401 4.692 1.00 0.00 H new ATOM 0 HG SER A 85 -16.152 0.323 4.373 1.00 0.00 H new ATOM 1371 N ASP A 86 -19.509 -1.416 5.605 1.00 0.00 N ATOM 1372 CA ASP A 86 -20.584 -0.844 6.396 1.00 0.00 C ATOM 1373 C ASP A 86 -20.281 -1.163 7.850 1.00 0.00 C ATOM 1374 O ASP A 86 -20.082 -0.259 8.661 1.00 0.00 O ATOM 1375 CB ASP A 86 -21.948 -1.361 5.903 1.00 0.00 C ATOM 1376 CG ASP A 86 -23.053 -0.355 6.173 1.00 0.00 C ATOM 1377 OD1 ASP A 86 -22.993 0.753 5.574 1.00 0.00 O ATOM 1378 OD2 ASP A 86 -24.021 -0.729 6.858 1.00 0.00 O ATOM 0 H ASP A 86 -19.241 -2.354 5.904 1.00 0.00 H new ATOM 0 HA ASP A 86 -20.646 0.239 6.290 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -21.896 -1.568 4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -22.182 -2.303 6.399 1.00 0.00 H new ATOM 1383 N ASP A 87 -20.124 -2.446 8.160 1.00 0.00 N ATOM 1384 CA ASP A 87 -19.977 -2.957 9.517 1.00 0.00 C ATOM 1385 C ASP A 87 -18.529 -2.868 9.964 1.00 0.00 C ATOM 1386 O ASP A 87 -18.179 -2.207 10.945 1.00 0.00 O ATOM 1387 CB ASP A 87 -20.429 -4.428 9.606 1.00 0.00 C ATOM 1388 CG ASP A 87 -21.886 -4.632 9.226 1.00 0.00 C ATOM 1389 OD1 ASP A 87 -22.192 -4.680 8.020 1.00 0.00 O ATOM 1390 OD2 ASP A 87 -22.726 -4.833 10.135 1.00 0.00 O ATOM 0 H ASP A 87 -20.095 -3.180 7.452 1.00 0.00 H new ATOM 0 HA ASP A 87 -20.604 -2.346 10.166 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -19.802 -5.034 8.952 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -20.272 -4.789 10.623 1.00 0.00 H new ATOM 1395 N LYS A 88 -17.673 -3.583 9.240 1.00 0.00 N ATOM 1396 CA LYS A 88 -16.272 -3.787 9.555 1.00 0.00 C ATOM 1397 C LYS A 88 -15.475 -3.297 8.371 1.00 0.00 C ATOM 1398 O LYS A 88 -15.951 -3.425 7.242 1.00 0.00 O ATOM 1399 CB LYS A 88 -16.019 -5.265 9.886 1.00 0.00 C ATOM 1400 CG LYS A 88 -16.130 -6.224 8.683 1.00 0.00 C ATOM 1401 CD LYS A 88 -16.375 -7.665 9.161 1.00 0.00 C ATOM 1402 CE LYS A 88 -17.868 -7.902 9.477 1.00 0.00 C ATOM 1403 NZ LYS A 88 -18.716 -8.194 8.293 1.00 0.00 N ATOM 0 H LYS A 88 -17.954 -4.055 8.381 1.00 0.00 H new ATOM 0 HA LYS A 88 -15.965 -3.228 10.439 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -15.023 -5.361 10.319 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -16.730 -5.579 10.650 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -16.945 -5.907 8.032 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -15.215 -6.182 8.092 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -16.047 -8.366 8.394 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -15.776 -7.863 10.050 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -17.949 -8.732 10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -18.263 -7.020 9.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -19.700 -8.339 8.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -18.673 -7.394 7.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -18.369 -9.054 7.821 1.00 0.00 H new ATOM 1417 N ILE A 89 -14.307 -2.719 8.621 1.00 0.00 N ATOM 1418 CA ILE A 89 -13.447 -2.164 7.586 1.00 0.00 C ATOM 1419 C ILE A 89 -13.104 -3.311 6.629 1.00 0.00 C ATOM 1420 O ILE A 89 -12.543 -4.323 7.062 1.00 0.00 O ATOM 1421 CB ILE A 89 -12.226 -1.504 8.263 1.00 0.00 C ATOM 1422 CG1 ILE A 89 -12.688 -0.263 9.060 1.00 0.00 C ATOM 1423 CG2 ILE A 89 -11.163 -1.076 7.238 1.00 0.00 C ATOM 1424 CD1 ILE A 89 -11.688 0.175 10.126 1.00 0.00 C ATOM 0 H ILE A 89 -13.926 -2.622 9.562 1.00 0.00 H new ATOM 0 HA ILE A 89 -13.921 -1.378 6.998 1.00 0.00 H new ATOM 0 HB ILE A 89 -11.777 -2.242 8.928 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -12.857 0.563 8.368 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -13.644 -0.480 9.536 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -10.322 -0.616 7.757 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -10.816 -1.950 6.687 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -11.597 -0.357 6.542 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -12.073 1.051 10.648 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -11.538 -0.636 10.839 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -10.738 0.423 9.653 1.00 0.00 H new ATOM 1436 N GLN A 90 -13.507 -3.186 5.360 1.00 0.00 N ATOM 1437 CA GLN A 90 -13.165 -4.148 4.328 1.00 0.00 C ATOM 1438 C GLN A 90 -12.612 -3.478 3.059 1.00 0.00 C ATOM 1439 O GLN A 90 -13.071 -2.394 2.672 1.00 0.00 O ATOM 1440 CB GLN A 90 -14.334 -5.071 3.951 1.00 0.00 C ATOM 1441 CG GLN A 90 -14.679 -6.059 5.071 1.00 0.00 C ATOM 1442 CD GLN A 90 -15.492 -7.270 4.597 1.00 0.00 C ATOM 1443 OE1 GLN A 90 -15.719 -7.515 3.414 1.00 0.00 O ATOM 1444 NE2 GLN A 90 -16.012 -8.060 5.524 1.00 0.00 N ATOM 0 H GLN A 90 -14.080 -2.411 5.028 1.00 0.00 H new ATOM 0 HA GLN A 90 -12.380 -4.761 4.771 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -15.211 -4.467 3.719 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -14.080 -5.624 3.047 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -13.755 -6.410 5.531 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -15.241 -5.536 5.845 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -15.835 -7.873 6.511 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -16.589 -8.855 5.251 1.00 0.00 H new ATOM 1453 N PRO A 91 -11.652 -4.164 2.411 1.00 0.00 N ATOM 1454 CA PRO A 91 -11.087 -3.833 1.112 1.00 0.00 C ATOM 1455 C PRO A 91 -12.024 -4.153 -0.050 1.00 0.00 C ATOM 1456 O PRO A 91 -13.042 -4.825 0.113 1.00 0.00 O ATOM 1457 CB PRO A 91 -9.851 -4.720 0.977 1.00 0.00 C ATOM 1458 CG PRO A 91 -10.098 -5.900 1.910 1.00 0.00 C ATOM 1459 CD PRO A 91 -10.984 -5.325 2.976 1.00 0.00 C ATOM 0 HA PRO A 91 -10.884 -2.763 1.066 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -9.717 -5.054 -0.052 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -8.947 -4.180 1.257 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -10.581 -6.728 1.391 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -9.167 -6.284 2.326 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -11.714 -6.064 3.307 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -10.398 -5.042 3.850 1.00 0.00 H new ATOM 1467 N ALA A 92 -11.593 -3.774 -1.256 1.00 0.00 N ATOM 1468 CA ALA A 92 -12.288 -4.000 -2.511 1.00 0.00 C ATOM 1469 C ALA A 92 -12.262 -5.444 -3.036 1.00 0.00 C ATOM 1470 O ALA A 92 -12.864 -5.724 -4.076 1.00 0.00 O ATOM 1471 CB ALA A 92 -11.661 -3.081 -3.566 1.00 0.00 C ATOM 0 H ALA A 92 -10.710 -3.280 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 92 -13.339 -3.785 -2.319 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -12.163 -3.229 -4.522 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -11.771 -2.042 -3.255 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.602 -3.318 -3.672 1.00 0.00 H new ATOM 1477 N SER A 93 -11.506 -6.341 -2.406 1.00 0.00 N ATOM 1478 CA SER A 93 -11.366 -7.753 -2.742 1.00 0.00 C ATOM 1479 C SER A 93 -10.559 -8.396 -1.613 1.00 0.00 C ATOM 1480 O SER A 93 -10.135 -7.706 -0.685 1.00 0.00 O ATOM 1481 CB SER A 93 -10.621 -7.893 -4.084 1.00 0.00 C ATOM 1482 OG SER A 93 -10.621 -9.211 -4.601 1.00 0.00 O ATOM 0 H SER A 93 -10.940 -6.083 -1.597 1.00 0.00 H new ATOM 0 HA SER A 93 -12.337 -8.238 -2.846 1.00 0.00 H new ATOM 0 HB2 SER A 93 -11.078 -7.226 -4.815 1.00 0.00 H new ATOM 0 HB3 SER A 93 -9.590 -7.564 -3.953 1.00 0.00 H new ATOM 0 HG SER A 93 -10.135 -9.229 -5.452 1.00 0.00 H new ATOM 1488 N ALA A 94 -10.266 -9.689 -1.735 1.00 0.00 N ATOM 1489 CA ALA A 94 -9.275 -10.385 -0.926 1.00 0.00 C ATOM 1490 C ALA A 94 -7.866 -9.861 -1.245 1.00 0.00 C ATOM 1491 O ALA A 94 -7.064 -10.525 -1.905 1.00 0.00 O ATOM 1492 CB ALA A 94 -9.392 -11.893 -1.160 1.00 0.00 C ATOM 0 H ALA A 94 -10.724 -10.294 -2.417 1.00 0.00 H new ATOM 0 HA ALA A 94 -9.460 -10.193 0.131 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -8.650 -12.414 -0.554 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -10.390 -12.228 -0.879 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -9.219 -12.112 -2.214 1.00 0.00 H new ATOM 1498 N VAL A 95 -7.558 -8.654 -0.772 1.00 0.00 N ATOM 1499 CA VAL A 95 -6.195 -8.165 -0.635 1.00 0.00 C ATOM 1500 C VAL A 95 -5.501 -8.956 0.471 1.00 0.00 C ATOM 1501 O VAL A 95 -6.063 -9.878 1.059 1.00 0.00 O ATOM 1502 CB VAL A 95 -6.166 -6.646 -0.367 1.00 0.00 C ATOM 1503 CG1 VAL A 95 -6.960 -5.895 -1.444 1.00 0.00 C ATOM 1504 CG2 VAL A 95 -6.682 -6.294 1.028 1.00 0.00 C ATOM 0 H VAL A 95 -8.263 -7.981 -0.470 1.00 0.00 H new ATOM 0 HA VAL A 95 -5.656 -8.317 -1.570 1.00 0.00 H new ATOM 0 HB VAL A 95 -5.124 -6.330 -0.411 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -6.929 -4.825 -1.239 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -6.521 -6.090 -2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -7.995 -6.236 -1.437 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -6.642 -5.214 1.169 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -7.712 -6.636 1.132 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -6.061 -6.781 1.779 1.00 0.00 H new ATOM 1514 N ASN A 96 -4.259 -8.607 0.772 1.00 0.00 N ATOM 1515 CA ASN A 96 -3.387 -9.387 1.622 1.00 0.00 C ATOM 1516 C ASN A 96 -2.603 -8.505 2.568 1.00 0.00 C ATOM 1517 O ASN A 96 -1.894 -7.619 2.104 1.00 0.00 O ATOM 1518 CB ASN A 96 -2.443 -10.233 0.757 1.00 0.00 C ATOM 1519 CG ASN A 96 -1.647 -9.482 -0.308 1.00 0.00 C ATOM 1520 OD1 ASN A 96 -1.942 -8.352 -0.652 1.00 0.00 O ATOM 1521 ND2 ASN A 96 -0.642 -10.090 -0.913 1.00 0.00 N ATOM 0 H ASN A 96 -3.824 -7.753 0.422 1.00 0.00 H new ATOM 0 HA ASN A 96 -4.002 -10.049 2.232 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -1.739 -10.741 1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -3.032 -11.006 0.263 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -0.129 -9.613 -1.654 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -0.379 -11.037 -0.639 1.00 0.00 H new ATOM 1528 N VAL A 97 -2.688 -8.757 3.878 1.00 0.00 N ATOM 1529 CA VAL A 97 -1.986 -7.943 4.872 1.00 0.00 C ATOM 1530 C VAL A 97 -0.510 -8.353 4.900 1.00 0.00 C ATOM 1531 O VAL A 97 -0.034 -9.045 5.800 1.00 0.00 O ATOM 1532 CB VAL A 97 -2.658 -7.969 6.264 1.00 0.00 C ATOM 1533 CG1 VAL A 97 -2.000 -6.949 7.208 1.00 0.00 C ATOM 1534 CG2 VAL A 97 -4.151 -7.629 6.181 1.00 0.00 C ATOM 0 H VAL A 97 -3.237 -9.520 4.274 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.047 -6.896 4.573 1.00 0.00 H new ATOM 0 HB VAL A 97 -2.533 -8.982 6.647 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.489 -6.985 8.181 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.943 -7.190 7.324 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -2.100 -5.948 6.789 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -4.587 -7.658 7.180 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.274 -6.631 5.760 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -4.655 -8.356 5.544 1.00 0.00 H new ATOM 1544 N ILE A 98 0.216 -7.972 3.857 1.00 0.00 N ATOM 1545 CA ILE A 98 1.628 -8.272 3.663 1.00 0.00 C ATOM 1546 C ILE A 98 2.523 -7.168 4.202 1.00 0.00 C ATOM 1547 O ILE A 98 3.728 -7.392 4.351 1.00 0.00 O ATOM 1548 CB ILE A 98 1.921 -8.514 2.173 1.00 0.00 C ATOM 1549 CG1 ILE A 98 1.550 -7.287 1.304 1.00 0.00 C ATOM 1550 CG2 ILE A 98 1.199 -9.798 1.744 1.00 0.00 C ATOM 1551 CD1 ILE A 98 1.957 -7.470 -0.149 1.00 0.00 C ATOM 0 H ILE A 98 -0.179 -7.424 3.093 1.00 0.00 H new ATOM 0 HA ILE A 98 1.850 -9.179 4.226 1.00 0.00 H new ATOM 0 HB ILE A 98 2.992 -8.648 2.021 1.00 0.00 H new ATOM 0 HG12 ILE A 98 0.475 -7.116 1.360 1.00 0.00 H new ATOM 0 HG13 ILE A 98 2.036 -6.398 1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 98 1.393 -9.989 0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 98 1.564 -10.636 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 98 0.127 -9.682 1.900 1.00 0.00 H new ATOM 0 HD11 ILE A 98 1.677 -6.585 -0.720 1.00 0.00 H new ATOM 0 HD12 ILE A 98 3.036 -7.614 -0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 98 1.451 -8.343 -0.561 1.00 0.00 H new ATOM 1563 N GLY A 99 1.940 -5.999 4.479 1.00 0.00 N ATOM 1564 CA GLY A 99 2.652 -4.847 4.975 1.00 0.00 C ATOM 1565 C GLY A 99 1.822 -4.103 6.012 1.00 0.00 C ATOM 1566 O GLY A 99 0.623 -4.382 6.148 1.00 0.00 O ATOM 0 H GLY A 99 0.940 -5.837 4.358 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.598 -5.161 5.417 1.00 0.00 H new ATOM 0 HA3 GLY A 99 2.893 -4.179 4.148 1.00 0.00 H new ATOM 1570 N LYS A 100 2.412 -3.092 6.653 1.00 0.00 N ATOM 1571 CA LYS A 100 1.754 -2.227 7.635 1.00 0.00 C ATOM 1572 C LYS A 100 1.912 -0.766 7.245 1.00 0.00 C ATOM 1573 O LYS A 100 2.591 -0.444 6.267 1.00 0.00 O ATOM 1574 CB LYS A 100 2.307 -2.521 9.039 1.00 0.00 C ATOM 1575 CG LYS A 100 1.244 -2.695 10.108 1.00 0.00 C ATOM 1576 CD LYS A 100 0.810 -4.151 10.179 1.00 0.00 C ATOM 1577 CE LYS A 100 -0.440 -4.333 11.052 1.00 0.00 C ATOM 1578 NZ LYS A 100 -0.133 -4.605 12.472 1.00 0.00 N ATOM 0 H LYS A 100 3.390 -2.845 6.499 1.00 0.00 H new ATOM 0 HA LYS A 100 0.685 -2.437 7.651 1.00 0.00 H new ATOM 0 HB2 LYS A 100 2.913 -3.426 8.995 1.00 0.00 H new ATOM 0 HB3 LYS A 100 2.970 -1.707 9.333 1.00 0.00 H new ATOM 0 HG2 LYS A 100 1.633 -2.376 11.075 1.00 0.00 H new ATOM 0 HG3 LYS A 100 0.385 -2.062 9.885 1.00 0.00 H new ATOM 0 HD2 LYS A 100 0.607 -4.519 9.173 1.00 0.00 H new ATOM 0 HD3 LYS A 100 1.625 -4.754 10.581 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -1.053 -3.434 10.987 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -1.035 -5.154 10.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -1.020 -4.717 13.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.427 -5.478 12.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.410 -3.811 12.868 1.00 0.00 H new ATOM 1592 N ILE A 101 1.270 0.126 8.006 1.00 0.00 N ATOM 1593 CA ILE A 101 1.530 1.556 7.959 1.00 0.00 C ATOM 1594 C ILE A 101 2.229 1.948 9.249 1.00 0.00 C ATOM 1595 O ILE A 101 1.639 2.468 10.198 1.00 0.00 O ATOM 1596 CB ILE A 101 0.246 2.351 7.631 1.00 0.00 C ATOM 1597 CG1 ILE A 101 -0.351 1.929 6.270 1.00 0.00 C ATOM 1598 CG2 ILE A 101 0.544 3.856 7.652 1.00 0.00 C ATOM 1599 CD1 ILE A 101 -1.728 2.541 5.967 1.00 0.00 C ATOM 0 H ILE A 101 0.548 -0.135 8.678 1.00 0.00 H new ATOM 0 HA ILE A 101 2.202 1.814 7.140 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.498 2.126 8.395 1.00 0.00 H new ATOM 0 HG12 ILE A 101 0.342 2.213 5.478 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -0.436 0.843 6.245 1.00 0.00 H new ATOM 0 HG21 ILE A 101 -0.365 4.410 7.420 1.00 0.00 H new ATOM 0 HG22 ILE A 101 0.901 4.142 8.641 1.00 0.00 H new ATOM 0 HG23 ILE A 101 1.308 4.086 6.910 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.074 2.194 4.994 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.439 2.236 6.735 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.649 3.628 5.957 1.00 0.00 H new ATOM 1611 N VAL A 102 3.510 1.619 9.248 1.00 0.00 N ATOM 1612 CA VAL A 102 4.403 1.672 10.380 1.00 0.00 C ATOM 1613 C VAL A 102 4.633 3.127 10.801 1.00 0.00 C ATOM 1614 O VAL A 102 4.827 3.413 11.965 1.00 0.00 O ATOM 1615 CB VAL A 102 5.722 1.012 9.967 1.00 0.00 C ATOM 1616 CG1 VAL A 102 6.837 1.844 9.336 1.00 0.00 C ATOM 1617 CG2 VAL A 102 6.023 -0.157 10.860 1.00 0.00 C ATOM 0 H VAL A 102 3.976 1.289 8.403 1.00 0.00 H new ATOM 0 HA VAL A 102 3.974 1.145 11.232 1.00 0.00 H new ATOM 0 HB VAL A 102 5.570 0.580 8.978 1.00 0.00 H new ATOM 0 HG11 VAL A 102 7.689 1.201 9.113 1.00 0.00 H new ATOM 0 HG12 VAL A 102 6.474 2.299 8.414 1.00 0.00 H new ATOM 0 HG13 VAL A 102 7.144 2.626 10.030 1.00 0.00 H new ATOM 0 HG21 VAL A 102 6.963 -0.616 10.554 1.00 0.00 H new ATOM 0 HG22 VAL A 102 6.105 0.185 11.892 1.00 0.00 H new ATOM 0 HG23 VAL A 102 5.220 -0.890 10.783 1.00 0.00 H new ATOM 1627 N GLU A 103 4.557 4.058 9.862 1.00 0.00 N ATOM 1628 CA GLU A 103 4.504 5.506 10.035 1.00 0.00 C ATOM 1629 C GLU A 103 3.648 6.109 8.939 1.00 0.00 C ATOM 1630 O GLU A 103 3.480 5.508 7.881 1.00 0.00 O ATOM 1631 CB GLU A 103 5.907 6.134 9.998 1.00 0.00 C ATOM 1632 CG GLU A 103 6.634 6.166 11.324 1.00 0.00 C ATOM 1633 CD GLU A 103 7.305 7.526 11.622 1.00 0.00 C ATOM 1634 OE1 GLU A 103 8.450 7.754 11.147 1.00 0.00 O ATOM 1635 OE2 GLU A 103 6.646 8.380 12.278 1.00 0.00 O ATOM 0 H GLU A 103 4.528 3.800 8.875 1.00 0.00 H new ATOM 0 HA GLU A 103 4.070 5.716 11.013 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.516 5.582 9.281 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.821 7.154 9.624 1.00 0.00 H new ATOM 0 HG2 GLU A 103 5.929 5.934 12.122 1.00 0.00 H new ATOM 0 HG3 GLU A 103 7.394 5.384 11.333 1.00 0.00 H new ATOM 1642 N GLY A 104 3.132 7.318 9.190 1.00 0.00 N ATOM 1643 CA GLY A 104 2.371 7.995 8.169 1.00 0.00 C ATOM 1644 C GLY A 104 0.940 7.509 8.092 1.00 0.00 C ATOM 1645 O GLY A 104 0.530 6.978 7.060 1.00 0.00 O ATOM 0 H GLY A 104 3.231 7.825 10.070 1.00 0.00 H new ATOM 0 HA2 GLY A 104 2.377 9.067 8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 104 2.854 7.847 7.203 1.00 0.00 H new ATOM 1649 N LEU A 105 0.200 7.680 9.192 1.00 0.00 N ATOM 1650 CA LEU A 105 -1.238 7.453 9.182 1.00 0.00 C ATOM 1651 C LEU A 105 -1.947 8.778 8.947 1.00 0.00 C ATOM 1652 O LEU A 105 -2.684 8.941 7.977 1.00 0.00 O ATOM 1653 CB LEU A 105 -1.720 6.816 10.495 1.00 0.00 C ATOM 1654 CG LEU A 105 -2.898 5.854 10.279 1.00 0.00 C ATOM 1655 CD1 LEU A 105 -4.037 6.320 9.400 1.00 0.00 C ATOM 1656 CD2 LEU A 105 -2.413 4.495 9.788 1.00 0.00 C ATOM 0 H LEU A 105 0.576 7.973 10.094 1.00 0.00 H new ATOM 0 HA LEU A 105 -1.475 6.756 8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -0.894 6.277 10.959 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -2.018 7.602 11.189 1.00 0.00 H new ATOM 0 HG LEU A 105 -3.332 5.798 11.277 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -4.794 5.538 9.340 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -4.479 7.221 9.825 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -3.660 6.537 8.401 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -3.268 3.834 9.644 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -1.885 4.617 8.842 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -1.739 4.061 10.526 1.00 0.00 H new ATOM 1668 N GLU A 106 -1.742 9.741 9.850 1.00 0.00 N ATOM 1669 CA GLU A 106 -2.588 10.923 9.880 1.00 0.00 C ATOM 1670 C GLU A 106 -2.302 11.809 8.647 1.00 0.00 C ATOM 1671 O GLU A 106 -3.166 12.531 8.144 1.00 0.00 O ATOM 1672 CB GLU A 106 -2.362 11.747 11.162 1.00 0.00 C ATOM 1673 CG GLU A 106 -2.250 10.976 12.490 1.00 0.00 C ATOM 1674 CD GLU A 106 -2.393 11.928 13.698 1.00 0.00 C ATOM 1675 OE1 GLU A 106 -3.520 12.438 13.914 1.00 0.00 O ATOM 1676 OE2 GLU A 106 -1.408 12.218 14.417 1.00 0.00 O ATOM 0 H GLU A 106 -1.007 9.721 10.557 1.00 0.00 H new ATOM 0 HA GLU A 106 -3.625 10.588 9.865 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -1.449 12.328 11.032 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.183 12.459 11.254 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -3.022 10.208 12.535 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.289 10.465 12.538 1.00 0.00 H new ATOM 1683 N ASP A 107 -1.070 11.725 8.130 1.00 0.00 N ATOM 1684 CA ASP A 107 -0.565 12.426 6.943 1.00 0.00 C ATOM 1685 C ASP A 107 -1.168 11.884 5.641 1.00 0.00 C ATOM 1686 O ASP A 107 -0.808 12.374 4.578 1.00 0.00 O ATOM 1687 CB ASP A 107 0.977 12.370 6.903 1.00 0.00 C ATOM 1688 CG ASP A 107 1.722 13.715 6.804 1.00 0.00 C ATOM 1689 OD1 ASP A 107 1.142 14.810 7.003 1.00 0.00 O ATOM 1690 OD2 ASP A 107 2.960 13.655 6.594 1.00 0.00 O ATOM 0 H ASP A 107 -0.357 11.131 8.554 1.00 0.00 H new ATOM 0 HA ASP A 107 -0.879 13.467 7.023 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.321 11.857 7.801 1.00 0.00 H new ATOM 0 HB3 ASP A 107 1.272 11.756 6.052 1.00 0.00 H new ATOM 1695 N LEU A 108 -2.079 10.899 5.686 1.00 0.00 N ATOM 1696 CA LEU A 108 -2.741 10.366 4.491 1.00 0.00 C ATOM 1697 C LEU A 108 -4.000 11.166 4.134 1.00 0.00 C ATOM 1698 O LEU A 108 -4.245 11.418 2.955 1.00 0.00 O ATOM 1699 CB LEU A 108 -3.051 8.870 4.652 1.00 0.00 C ATOM 1700 CG LEU A 108 -1.791 7.987 4.769 1.00 0.00 C ATOM 1701 CD1 LEU A 108 -2.189 6.560 5.152 1.00 0.00 C ATOM 1702 CD2 LEU A 108 -0.962 7.937 3.478 1.00 0.00 C ATOM 0 H LEU A 108 -2.375 10.452 6.553 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.048 10.474 3.657 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.667 8.729 5.540 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -3.641 8.536 3.798 1.00 0.00 H new ATOM 0 HG LEU A 108 -1.170 8.442 5.541 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -1.295 5.942 5.233 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -2.710 6.572 6.110 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -2.847 6.148 4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -0.091 7.299 3.629 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -1.571 7.533 2.670 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -0.634 8.943 3.217 1.00 0.00 H new ATOM 1714 N LYS A 109 -4.772 11.667 5.114 1.00 0.00 N ATOM 1715 CA LYS A 109 -6.016 12.407 4.847 1.00 0.00 C ATOM 1716 C LYS A 109 -5.825 13.706 4.051 1.00 0.00 C ATOM 1717 O LYS A 109 -6.806 14.318 3.626 1.00 0.00 O ATOM 1718 CB LYS A 109 -6.694 12.797 6.161 1.00 0.00 C ATOM 1719 CG LYS A 109 -7.002 11.665 7.145 1.00 0.00 C ATOM 1720 CD LYS A 109 -6.115 11.715 8.400 1.00 0.00 C ATOM 1721 CE LYS A 109 -6.903 11.253 9.622 1.00 0.00 C ATOM 1722 NZ LYS A 109 -7.576 12.371 10.327 1.00 0.00 N ATOM 0 H LYS A 109 -4.553 11.571 6.106 1.00 0.00 H new ATOM 0 HA LYS A 109 -6.618 11.722 4.249 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -6.059 13.523 6.668 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -7.630 13.303 5.923 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -8.049 11.722 7.442 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -6.864 10.706 6.645 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -5.240 11.080 8.261 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -5.750 12.730 8.556 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -7.650 10.522 9.312 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -6.229 10.746 10.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -8.096 12.001 11.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -6.864 13.057 10.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -8.241 12.840 9.679 1.00 0.00 H new ATOM 1736 N LYS A 110 -4.583 14.174 3.944 1.00 0.00 N ATOM 1737 CA LYS A 110 -4.157 15.444 3.369 1.00 0.00 C ATOM 1738 C LYS A 110 -3.508 15.254 1.993 1.00 0.00 C ATOM 1739 O LYS A 110 -3.069 16.238 1.400 1.00 0.00 O ATOM 1740 CB LYS A 110 -3.246 16.171 4.382 1.00 0.00 C ATOM 1741 CG LYS A 110 -2.094 15.325 4.958 1.00 0.00 C ATOM 1742 CD LYS A 110 -0.708 15.745 4.485 1.00 0.00 C ATOM 1743 CE LYS A 110 -0.222 16.978 5.257 1.00 0.00 C ATOM 1744 NZ LYS A 110 1.243 17.112 5.161 1.00 0.00 N ATOM 0 H LYS A 110 -3.789 13.632 4.284 1.00 0.00 H new ATOM 0 HA LYS A 110 -5.026 16.076 3.185 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -2.822 17.051 3.898 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -3.861 16.527 5.208 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -2.126 15.382 6.046 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -2.256 14.281 4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -0.006 14.923 4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -0.734 15.965 3.418 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -0.700 17.873 4.860 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -0.516 16.897 6.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 1.517 18.091 5.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 1.696 16.465 5.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.551 16.875 4.196 1.00 0.00 H new ATOM 1758 N ILE A 111 -3.421 14.025 1.485 1.00 0.00 N ATOM 1759 CA ILE A 111 -2.881 13.725 0.163 1.00 0.00 C ATOM 1760 C ILE A 111 -3.996 13.925 -0.873 1.00 0.00 C ATOM 1761 O ILE A 111 -5.183 13.893 -0.540 1.00 0.00 O ATOM 1762 CB ILE A 111 -2.276 12.300 0.190 1.00 0.00 C ATOM 1763 CG1 ILE A 111 -1.314 12.034 1.374 1.00 0.00 C ATOM 1764 CG2 ILE A 111 -1.521 11.994 -1.103 1.00 0.00 C ATOM 1765 CD1 ILE A 111 -0.062 12.918 1.436 1.00 0.00 C ATOM 0 H ILE A 111 -3.730 13.196 1.992 1.00 0.00 H new ATOM 0 HA ILE A 111 -2.071 14.396 -0.122 1.00 0.00 H new ATOM 0 HB ILE A 111 -3.140 11.646 0.308 1.00 0.00 H new ATOM 0 HG12 ILE A 111 -1.870 12.160 2.303 1.00 0.00 H new ATOM 0 HG13 ILE A 111 -0.997 10.992 1.331 1.00 0.00 H new ATOM 0 HG21 ILE A 111 -1.108 10.987 -1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 111 -2.205 12.065 -1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 111 -0.711 12.712 -1.230 1.00 0.00 H new ATOM 0 HD11 ILE A 111 0.536 12.642 2.305 1.00 0.00 H new ATOM 0 HD12 ILE A 111 0.528 12.777 0.530 1.00 0.00 H new ATOM 0 HD13 ILE A 111 -0.359 13.964 1.517 1.00 0.00 H new ATOM 1777 N LYS A 112 -3.620 14.159 -2.134 1.00 0.00 N ATOM 1778 CA LYS A 112 -4.537 14.333 -3.261 1.00 0.00 C ATOM 1779 C LYS A 112 -4.434 13.123 -4.179 1.00 0.00 C ATOM 1780 O LYS A 112 -3.496 12.337 -4.074 1.00 0.00 O ATOM 1781 CB LYS A 112 -4.248 15.603 -4.068 1.00 0.00 C ATOM 1782 CG LYS A 112 -3.986 16.858 -3.258 1.00 0.00 C ATOM 1783 CD LYS A 112 -5.262 17.401 -2.656 1.00 0.00 C ATOM 1784 CE LYS A 112 -6.022 18.115 -3.770 1.00 0.00 C ATOM 1785 NZ LYS A 112 -5.977 19.585 -3.650 1.00 0.00 N ATOM 0 H LYS A 112 -2.640 14.235 -2.405 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.543 14.430 -2.852 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -3.382 15.417 -4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -5.094 15.791 -4.729 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -3.272 16.638 -2.464 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -3.531 17.616 -3.895 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -5.863 16.594 -2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -5.040 18.089 -1.840 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -5.604 17.822 -4.733 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -7.061 17.787 -3.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -6.510 20.014 -4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.401 19.873 -2.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -4.989 19.906 -3.687 1.00 0.00 H new ATOM 1799 N ASP A 113 -5.323 13.083 -5.161 1.00 0.00 N ATOM 1800 CA ASP A 113 -5.527 12.011 -6.149 1.00 0.00 C ATOM 1801 C ASP A 113 -4.388 11.871 -7.176 1.00 0.00 C ATOM 1802 O ASP A 113 -4.544 11.244 -8.223 1.00 0.00 O ATOM 1803 CB ASP A 113 -6.862 12.270 -6.857 1.00 0.00 C ATOM 1804 CG ASP A 113 -7.843 11.098 -6.882 1.00 0.00 C ATOM 1805 OD1 ASP A 113 -7.457 9.954 -7.165 1.00 0.00 O ATOM 1806 OD2 ASP A 113 -9.049 11.374 -6.674 1.00 0.00 O ATOM 0 H ASP A 113 -5.975 13.854 -5.307 1.00 0.00 H new ATOM 0 HA ASP A 113 -5.536 11.063 -5.611 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -7.349 13.116 -6.373 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -6.654 12.567 -7.885 1.00 0.00 H new ATOM 1811 N GLY A 114 -3.248 12.526 -6.955 1.00 0.00 N ATOM 1812 CA GLY A 114 -2.110 12.499 -7.859 1.00 0.00 C ATOM 1813 C GLY A 114 -1.018 13.418 -7.342 1.00 0.00 C ATOM 1814 O GLY A 114 -0.844 14.517 -7.858 1.00 0.00 O ATOM 0 H GLY A 114 -3.092 13.099 -6.126 1.00 0.00 H new ATOM 0 HA2 GLY A 114 -1.729 11.482 -7.948 1.00 0.00 H new ATOM 0 HA3 GLY A 114 -2.419 12.812 -8.856 1.00 0.00 H new ATOM 1818 N GLU A 115 -0.308 12.970 -6.304 1.00 0.00 N ATOM 1819 CA GLU A 115 0.786 13.679 -5.646 1.00 0.00 C ATOM 1820 C GLU A 115 2.100 12.911 -5.775 1.00 0.00 C ATOM 1821 O GLU A 115 2.874 12.839 -4.823 1.00 0.00 O ATOM 1822 CB GLU A 115 0.415 13.904 -4.178 1.00 0.00 C ATOM 1823 CG GLU A 115 -0.778 14.837 -4.032 1.00 0.00 C ATOM 1824 CD GLU A 115 -0.605 16.199 -4.721 1.00 0.00 C ATOM 1825 OE1 GLU A 115 0.221 17.027 -4.292 1.00 0.00 O ATOM 1826 OE2 GLU A 115 -1.325 16.477 -5.703 1.00 0.00 O ATOM 0 H GLU A 115 -0.491 12.060 -5.881 1.00 0.00 H new ATOM 0 HA GLU A 115 0.936 14.643 -6.132 1.00 0.00 H new ATOM 0 HB2 GLU A 115 0.187 12.946 -3.710 1.00 0.00 H new ATOM 0 HB3 GLU A 115 1.270 14.322 -3.647 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -1.661 14.346 -4.441 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -0.968 15.001 -2.971 1.00 0.00 H new ATOM 1833 N LYS A 116 2.303 12.297 -6.941 1.00 0.00 N ATOM 1834 CA LYS A 116 3.563 11.741 -7.432 1.00 0.00 C ATOM 1835 C LYS A 116 4.303 10.953 -6.349 1.00 0.00 C ATOM 1836 O LYS A 116 5.277 11.423 -5.764 1.00 0.00 O ATOM 1837 CB LYS A 116 4.405 12.869 -8.049 1.00 0.00 C ATOM 1838 CG LYS A 116 4.476 12.670 -9.557 1.00 0.00 C ATOM 1839 CD LYS A 116 4.910 13.985 -10.185 1.00 0.00 C ATOM 1840 CE LYS A 116 5.033 13.802 -11.686 1.00 0.00 C ATOM 1841 NZ LYS A 116 6.401 13.380 -12.051 1.00 0.00 N ATOM 0 H LYS A 116 1.544 12.167 -7.609 1.00 0.00 H new ATOM 0 HA LYS A 116 3.356 11.011 -8.214 1.00 0.00 H new ATOM 0 HB2 LYS A 116 3.962 13.838 -7.818 1.00 0.00 H new ATOM 0 HB3 LYS A 116 5.408 12.867 -7.622 1.00 0.00 H new ATOM 0 HG2 LYS A 116 5.183 11.878 -9.804 1.00 0.00 H new ATOM 0 HG3 LYS A 116 3.505 12.364 -9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 116 4.185 14.767 -9.960 1.00 0.00 H new ATOM 0 HD3 LYS A 116 5.864 14.305 -9.766 1.00 0.00 H new ATOM 0 HE2 LYS A 116 4.314 13.057 -12.026 1.00 0.00 H new ATOM 0 HE3 LYS A 116 4.788 14.736 -12.192 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 6.464 13.260 -13.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 7.081 14.104 -11.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 6.622 12.478 -11.584 1.00 0.00 H new ATOM 1855 N VAL A 117 3.804 9.761 -6.044 1.00 0.00 N ATOM 1856 CA VAL A 117 4.326 8.984 -4.933 1.00 0.00 C ATOM 1857 C VAL A 117 5.680 8.411 -5.328 1.00 0.00 C ATOM 1858 O VAL A 117 5.734 7.419 -6.056 1.00 0.00 O ATOM 1859 CB VAL A 117 3.328 7.928 -4.443 1.00 0.00 C ATOM 1860 CG1 VAL A 117 2.627 7.122 -5.549 1.00 0.00 C ATOM 1861 CG2 VAL A 117 3.936 7.028 -3.367 1.00 0.00 C ATOM 0 H VAL A 117 3.040 9.314 -6.551 1.00 0.00 H new ATOM 0 HA VAL A 117 4.474 9.633 -4.070 1.00 0.00 H new ATOM 0 HB VAL A 117 2.523 8.504 -3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 117 1.943 6.403 -5.098 1.00 0.00 H new ATOM 0 HG12 VAL A 117 2.068 7.800 -6.194 1.00 0.00 H new ATOM 0 HG13 VAL A 117 3.373 6.591 -6.140 1.00 0.00 H new ATOM 0 HG21 VAL A 117 3.197 6.294 -3.047 1.00 0.00 H new ATOM 0 HG22 VAL A 117 4.807 6.513 -3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 117 4.238 7.635 -2.513 1.00 0.00 H new ATOM 1871 N ALA A 118 6.769 9.021 -4.873 1.00 0.00 N ATOM 1872 CA ALA A 118 8.104 8.490 -5.028 1.00 0.00 C ATOM 1873 C ALA A 118 8.307 7.464 -3.900 1.00 0.00 C ATOM 1874 O ALA A 118 8.538 7.810 -2.739 1.00 0.00 O ATOM 1875 CB ALA A 118 9.106 9.640 -4.940 1.00 0.00 C ATOM 0 H ALA A 118 6.740 9.913 -4.379 1.00 0.00 H new ATOM 0 HA ALA A 118 8.250 8.003 -5.992 1.00 0.00 H new ATOM 0 HB1 ALA A 118 10.118 9.251 -5.056 1.00 0.00 H new ATOM 0 HB2 ALA A 118 8.902 10.362 -5.731 1.00 0.00 H new ATOM 0 HB3 ALA A 118 9.014 10.129 -3.970 1.00 0.00 H new ATOM 1881 N VAL A 119 8.164 6.190 -4.228 1.00 0.00 N ATOM 1882 CA VAL A 119 8.428 5.044 -3.372 1.00 0.00 C ATOM 1883 C VAL A 119 9.939 4.841 -3.277 1.00 0.00 C ATOM 1884 O VAL A 119 10.613 4.856 -4.306 1.00 0.00 O ATOM 1885 CB VAL A 119 7.785 3.809 -4.025 1.00 0.00 C ATOM 1886 CG1 VAL A 119 7.981 2.556 -3.173 1.00 0.00 C ATOM 1887 CG2 VAL A 119 6.290 4.014 -4.284 1.00 0.00 C ATOM 0 H VAL A 119 7.841 5.911 -5.155 1.00 0.00 H new ATOM 0 HA VAL A 119 8.019 5.199 -2.374 1.00 0.00 H new ATOM 0 HB VAL A 119 8.291 3.672 -4.981 1.00 0.00 H new ATOM 0 HG11 VAL A 119 7.513 1.704 -3.666 1.00 0.00 H new ATOM 0 HG12 VAL A 119 9.047 2.364 -3.049 1.00 0.00 H new ATOM 0 HG13 VAL A 119 7.523 2.706 -2.195 1.00 0.00 H new ATOM 0 HG21 VAL A 119 5.875 3.118 -4.746 1.00 0.00 H new ATOM 0 HG22 VAL A 119 5.780 4.205 -3.340 1.00 0.00 H new ATOM 0 HG23 VAL A 119 6.150 4.865 -4.951 1.00 0.00 H new ATOM 1897 N ARG A 120 10.482 4.590 -2.084 1.00 0.00 N ATOM 1898 CA ARG A 120 11.897 4.300 -1.830 1.00 0.00 C ATOM 1899 C ARG A 120 12.003 3.201 -0.763 1.00 0.00 C ATOM 1900 O ARG A 120 10.983 2.770 -0.236 1.00 0.00 O ATOM 1901 CB ARG A 120 12.635 5.578 -1.417 1.00 0.00 C ATOM 1902 CG ARG A 120 12.252 6.811 -2.251 1.00 0.00 C ATOM 1903 CD ARG A 120 13.199 7.956 -1.944 1.00 0.00 C ATOM 1904 NE ARG A 120 12.999 8.451 -0.571 1.00 0.00 N ATOM 1905 CZ ARG A 120 13.827 9.191 0.172 1.00 0.00 C ATOM 1906 NH1 ARG A 120 15.036 9.497 -0.295 1.00 0.00 N ATOM 1907 NH2 ARG A 120 13.458 9.616 1.381 1.00 0.00 N ATOM 0 H ARG A 120 9.924 4.583 -1.230 1.00 0.00 H new ATOM 0 HA ARG A 120 12.374 3.937 -2.740 1.00 0.00 H new ATOM 0 HB2 ARG A 120 12.428 5.783 -0.367 1.00 0.00 H new ATOM 0 HB3 ARG A 120 13.709 5.411 -1.504 1.00 0.00 H new ATOM 0 HG2 ARG A 120 12.292 6.569 -3.313 1.00 0.00 H new ATOM 0 HG3 ARG A 120 11.226 7.106 -2.030 1.00 0.00 H new ATOM 0 HD2 ARG A 120 14.230 7.624 -2.068 1.00 0.00 H new ATOM 0 HD3 ARG A 120 13.038 8.767 -2.654 1.00 0.00 H new ATOM 0 HE ARG A 120 12.115 8.196 -0.131 1.00 0.00 H new ATOM 0 HH11 ARG A 120 15.326 9.167 -1.216 1.00 0.00 H new ATOM 0 HH12 ARG A 120 15.672 10.062 0.268 1.00 0.00 H new ATOM 0 HH21 ARG A 120 12.536 9.377 1.746 1.00 0.00 H new ATOM 0 HH22 ARG A 120 14.098 10.180 1.940 1.00 0.00 H new ATOM 1921 N PHE A 121 13.203 2.749 -0.387 1.00 0.00 N ATOM 1922 CA PHE A 121 13.418 1.714 0.652 1.00 0.00 C ATOM 1923 C PHE A 121 13.270 2.198 2.104 1.00 0.00 C ATOM 1924 O PHE A 121 13.512 1.502 3.088 1.00 0.00 O ATOM 1925 CB PHE A 121 14.816 1.135 0.464 1.00 0.00 C ATOM 1926 CG PHE A 121 14.872 0.063 -0.597 1.00 0.00 C ATOM 1927 CD1 PHE A 121 14.039 -1.059 -0.479 1.00 0.00 C ATOM 1928 CD2 PHE A 121 15.726 0.197 -1.701 1.00 0.00 C ATOM 1929 CE1 PHE A 121 14.057 -2.055 -1.475 1.00 0.00 C ATOM 1930 CE2 PHE A 121 15.762 -0.809 -2.689 1.00 0.00 C ATOM 1931 CZ PHE A 121 14.917 -1.928 -2.580 1.00 0.00 C ATOM 0 H PHE A 121 14.072 3.092 -0.797 1.00 0.00 H new ATOM 0 HA PHE A 121 12.629 0.975 0.512 1.00 0.00 H new ATOM 0 HB2 PHE A 121 15.503 1.938 0.198 1.00 0.00 H new ATOM 0 HB3 PHE A 121 15.162 0.720 1.411 1.00 0.00 H new ATOM 0 HD1 PHE A 121 13.385 -1.159 0.374 1.00 0.00 H new ATOM 0 HD2 PHE A 121 16.356 1.070 -1.795 1.00 0.00 H new ATOM 0 HE1 PHE A 121 13.410 -2.916 -1.390 1.00 0.00 H new ATOM 0 HE2 PHE A 121 16.437 -0.720 -3.527 1.00 0.00 H new ATOM 0 HZ PHE A 121 14.929 -2.690 -3.345 1.00 0.00 H new ATOM 1941 N ALA A 122 12.900 3.452 2.207 1.00 0.00 N ATOM 1942 CA ALA A 122 13.131 4.327 3.352 1.00 0.00 C ATOM 1943 C ALA A 122 14.619 4.402 3.683 1.00 0.00 C ATOM 1944 O ALA A 122 15.468 3.997 2.892 1.00 0.00 O ATOM 1945 CB ALA A 122 12.311 3.847 4.553 1.00 0.00 C ATOM 0 H ALA A 122 12.400 3.925 1.454 1.00 0.00 H new ATOM 0 HA ALA A 122 12.803 5.335 3.099 1.00 0.00 H new ATOM 0 HB1 ALA A 122 12.490 4.506 5.403 1.00 0.00 H new ATOM 0 HB2 ALA A 122 11.251 3.862 4.299 1.00 0.00 H new ATOM 0 HB3 ALA A 122 12.608 2.831 4.813 1.00 0.00 H new ATOM 1951 N SER A 123 14.946 4.891 4.875 1.00 0.00 N ATOM 1952 CA SER A 123 16.274 4.982 5.432 1.00 0.00 C ATOM 1953 C SER A 123 17.213 5.769 4.514 1.00 0.00 C ATOM 1954 O SER A 123 18.310 5.342 4.150 1.00 0.00 O ATOM 1955 CB SER A 123 16.675 3.581 5.870 1.00 0.00 C ATOM 1956 OG SER A 123 16.794 2.634 4.819 1.00 0.00 O ATOM 0 H SER A 123 14.238 5.256 5.512 1.00 0.00 H new ATOM 0 HA SER A 123 16.330 5.590 6.335 1.00 0.00 H new ATOM 0 HB2 SER A 123 17.628 3.640 6.395 1.00 0.00 H new ATOM 0 HB3 SER A 123 15.939 3.216 6.586 1.00 0.00 H new ATOM 0 HG SER A 123 16.495 3.039 3.978 1.00 0.00 H new ATOM 1962 N SER A 124 16.703 6.908 4.060 1.00 0.00 N ATOM 1963 CA SER A 124 17.452 7.837 3.220 1.00 0.00 C ATOM 1964 C SER A 124 18.588 8.521 3.977 1.00 0.00 C ATOM 1965 O SER A 124 19.680 8.633 3.377 1.00 0.00 O ATOM 1966 CB SER A 124 16.514 8.820 2.526 1.00 0.00 C ATOM 1967 OG SER A 124 15.546 9.388 3.402 1.00 0.00 O ATOM 0 H SER A 124 15.752 7.215 4.265 1.00 0.00 H new ATOM 0 HA SER A 124 17.940 7.258 2.436 1.00 0.00 H new ATOM 0 HB2 SER A 124 17.104 9.620 2.079 1.00 0.00 H new ATOM 0 HB3 SER A 124 16.001 8.309 1.711 1.00 0.00 H new ATOM 0 HG SER A 124 15.546 10.363 3.302 1.00 0.00 H new TER 1973 SER A 124