USER MOD reduce.3.24.130724 H: found=0, std=0, add=678, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 679 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 77 GLN : amide:sc= 1.2 K(o=2.4,f=0.11) USER MOD Set 1.2: A 88 ASN : amide:sc= 1.19 K(o=2.4,f=-1.6) USER MOD Set 2.1: A 34 GLN : amide:sc= 1.06 K(o=2.3,f=-7.9!) USER MOD Set 2.2: A 57 LYS NZ :NH3+ -157:sc= 1.23 (180deg=0) USER MOD Set 3.1: A 33 GLN : amide:sc= 1.14 K(o=2.4,f=-4.6) USER MOD Set 3.2: A 35 LYS NZ :NH3+ -168:sc= 1.25 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -1.01 K(o=-1,f=-1.6) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 ASN : amide:sc= 0.0175 X(o=0.017,f=0) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.539 K(o=-0.54,f=-3.9!) USER MOD Single : A 46 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= -0.151 USER MOD Single : A 50 THR OG1 : rot 70:sc= -1.1! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 1.28 (180deg=1.28) USER MOD Single : A 59 SER OG : rot -44:sc= 1.07 USER MOD Single : A 69 LYS NZ :NH3+ -166:sc= 1.24 (180deg=1.15) USER MOD Single : A 72 SER OG : rot 180:sc= 0.00204 USER MOD Single : A 74 CYS SG : rot 21:sc= 0.243 USER MOD Single : A 86 HIS : no HE2:sc= 0.73 K(o=0.73,f=-2.6!) USER MOD Single : A 91 MET CE :methyl -145:sc= -0.0491 (180deg=-1.23) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 GLN : amide:sc= 1.05 K(o=1,f=0) USER MOD Single : A 108 SER OG : rot -40:sc= 0.512 USER MOD Single : A 119 LYS NZ :NH3+ 156:sc= 1.22 (180deg=1.16) USER MOD Single : A 120 MET CE :methyl -140:sc= -0.228 (180deg=-0.844) USER MOD ----------------------------------------------------------------- ATOM 41 N GLN A 30 6.009 9.959 0.794 1.00 0.00 N ATOM 42 CA GLN A 30 6.990 8.973 1.237 1.00 0.00 C ATOM 43 C GLN A 30 7.465 8.108 0.070 1.00 0.00 C ATOM 44 O GLN A 30 6.667 7.464 -0.612 1.00 0.00 O ATOM 45 CB GLN A 30 6.402 8.088 2.340 1.00 0.00 C ATOM 46 CG GLN A 30 7.104 8.248 3.682 1.00 0.00 C ATOM 47 CD GLN A 30 6.788 7.125 4.649 1.00 0.00 C ATOM 48 OE1 GLN A 30 5.948 7.267 5.532 1.00 0.00 O ATOM 49 NE2 GLN A 30 7.463 5.998 4.493 1.00 0.00 N ATOM 0 HA GLN A 30 7.849 9.513 1.637 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.345 8.325 2.461 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.462 7.045 2.029 1.00 0.00 H new ATOM 0 HG2 GLN A 30 8.181 8.290 3.520 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.812 9.198 4.128 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.154 5.916 3.747 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.292 5.211 5.118 1.00 0.00 H new ATOM 58 N LYS A 31 8.773 8.098 -0.151 1.00 0.00 N ATOM 59 CA LYS A 31 9.359 7.315 -1.232 1.00 0.00 C ATOM 60 C LYS A 31 9.666 5.896 -0.762 1.00 0.00 C ATOM 61 O LYS A 31 10.295 5.698 0.279 1.00 0.00 O ATOM 62 CB LYS A 31 10.636 7.989 -1.742 1.00 0.00 C ATOM 63 CG LYS A 31 10.877 7.789 -3.231 1.00 0.00 C ATOM 64 CD LYS A 31 10.843 9.107 -3.990 1.00 0.00 C ATOM 65 CE LYS A 31 11.988 10.020 -3.583 1.00 0.00 C ATOM 66 NZ LYS A 31 13.088 10.014 -4.587 1.00 0.00 N ATOM 0 H LYS A 31 9.449 8.623 0.404 1.00 0.00 H new ATOM 0 HA LYS A 31 8.638 7.261 -2.048 1.00 0.00 H new ATOM 0 HB2 LYS A 31 10.582 9.057 -1.531 1.00 0.00 H new ATOM 0 HB3 LYS A 31 11.489 7.598 -1.188 1.00 0.00 H new ATOM 0 HG2 LYS A 31 11.843 7.308 -3.382 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.120 7.117 -3.635 1.00 0.00 H new ATOM 0 HD2 LYS A 31 10.896 8.912 -5.061 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.894 9.609 -3.805 1.00 0.00 H new ATOM 0 HE2 LYS A 31 11.615 11.037 -3.459 1.00 0.00 H new ATOM 0 HE3 LYS A 31 12.378 9.704 -2.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 13.849 10.649 -4.272 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 13.462 9.049 -4.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 12.722 10.340 -5.504 1.00 0.00 H new ATOM 80 N ALA A 32 9.208 4.915 -1.527 1.00 0.00 N ATOM 81 CA ALA A 32 9.434 3.515 -1.189 1.00 0.00 C ATOM 82 C ALA A 32 10.890 3.112 -1.425 1.00 0.00 C ATOM 83 O ALA A 32 11.596 3.723 -2.229 1.00 0.00 O ATOM 84 CB ALA A 32 8.500 2.624 -1.990 1.00 0.00 C ATOM 0 H ALA A 32 8.678 5.062 -2.386 1.00 0.00 H new ATOM 0 HA ALA A 32 9.222 3.387 -0.128 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.679 1.581 -1.728 1.00 0.00 H new ATOM 0 HB2 ALA A 32 7.466 2.883 -1.762 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.684 2.768 -3.055 1.00 0.00 H new ATOM 90 N GLN A 33 11.332 2.074 -0.726 1.00 0.00 N ATOM 91 CA GLN A 33 12.704 1.597 -0.855 1.00 0.00 C ATOM 92 C GLN A 33 12.863 0.688 -2.076 1.00 0.00 C ATOM 93 O GLN A 33 11.969 -0.093 -2.410 1.00 0.00 O ATOM 94 CB GLN A 33 13.135 0.859 0.418 1.00 0.00 C ATOM 95 CG GLN A 33 12.464 -0.495 0.605 1.00 0.00 C ATOM 96 CD GLN A 33 12.426 -0.938 2.054 1.00 0.00 C ATOM 97 OE1 GLN A 33 13.368 -1.545 2.558 1.00 0.00 O ATOM 98 NE2 GLN A 33 11.328 -0.646 2.731 1.00 0.00 N ATOM 0 H GLN A 33 10.762 1.547 -0.065 1.00 0.00 H new ATOM 0 HA GLN A 33 13.349 2.465 -0.995 1.00 0.00 H new ATOM 0 HB2 GLN A 33 14.216 0.718 0.396 1.00 0.00 H new ATOM 0 HB3 GLN A 33 12.913 1.486 1.282 1.00 0.00 H new ATOM 0 HG2 GLN A 33 11.446 -0.447 0.218 1.00 0.00 H new ATOM 0 HG3 GLN A 33 12.995 -1.243 0.015 1.00 0.00 H new ATOM 0 HE21 GLN A 33 10.568 -0.140 2.276 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.241 -0.926 3.708 1.00 0.00 H new ATOM 107 N GLN A 34 14.006 0.802 -2.742 1.00 0.00 N ATOM 108 CA GLN A 34 14.290 -0.011 -3.920 1.00 0.00 C ATOM 109 C GLN A 34 15.162 -1.210 -3.550 1.00 0.00 C ATOM 110 O GLN A 34 16.322 -1.052 -3.165 1.00 0.00 O ATOM 111 CB GLN A 34 14.980 0.833 -4.996 1.00 0.00 C ATOM 112 CG GLN A 34 14.121 1.972 -5.521 1.00 0.00 C ATOM 113 CD GLN A 34 14.902 2.947 -6.382 1.00 0.00 C ATOM 114 OE1 GLN A 34 15.099 2.726 -7.573 1.00 0.00 O ATOM 115 NE2 GLN A 34 15.348 4.039 -5.782 1.00 0.00 N ATOM 0 H GLN A 34 14.752 1.449 -2.487 1.00 0.00 H new ATOM 0 HA GLN A 34 13.345 -0.381 -4.317 1.00 0.00 H new ATOM 0 HB2 GLN A 34 15.903 1.244 -4.587 1.00 0.00 H new ATOM 0 HB3 GLN A 34 15.260 0.187 -5.828 1.00 0.00 H new ATOM 0 HG2 GLN A 34 13.296 1.561 -6.102 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.682 2.508 -4.680 1.00 0.00 H new ATOM 0 HE21 GLN A 34 15.164 4.187 -4.790 1.00 0.00 H new ATOM 0 HE22 GLN A 34 15.876 4.733 -6.312 1.00 0.00 H new ATOM 124 N LYS A 35 14.594 -2.404 -3.658 1.00 0.00 N ATOM 125 CA LYS A 35 15.312 -3.632 -3.326 1.00 0.00 C ATOM 126 C LYS A 35 15.939 -4.274 -4.573 1.00 0.00 C ATOM 127 O LYS A 35 16.290 -3.585 -5.532 1.00 0.00 O ATOM 128 CB LYS A 35 14.366 -4.624 -2.638 1.00 0.00 C ATOM 129 CG LYS A 35 13.523 -4.003 -1.534 1.00 0.00 C ATOM 130 CD LYS A 35 14.233 -4.051 -0.191 1.00 0.00 C ATOM 131 CE LYS A 35 13.345 -4.643 0.892 1.00 0.00 C ATOM 132 NZ LYS A 35 13.766 -4.211 2.255 1.00 0.00 N ATOM 0 H LYS A 35 13.635 -2.550 -3.974 1.00 0.00 H new ATOM 0 HA LYS A 35 16.121 -3.373 -2.644 1.00 0.00 H new ATOM 0 HB2 LYS A 35 13.704 -5.059 -3.387 1.00 0.00 H new ATOM 0 HB3 LYS A 35 14.953 -5.441 -2.218 1.00 0.00 H new ATOM 0 HG2 LYS A 35 13.295 -2.968 -1.789 1.00 0.00 H new ATOM 0 HG3 LYS A 35 12.572 -4.530 -1.462 1.00 0.00 H new ATOM 0 HD2 LYS A 35 15.143 -4.645 -0.281 1.00 0.00 H new ATOM 0 HD3 LYS A 35 14.536 -3.044 0.097 1.00 0.00 H new ATOM 0 HE2 LYS A 35 12.312 -4.342 0.719 1.00 0.00 H new ATOM 0 HE3 LYS A 35 13.374 -5.731 0.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 13.275 -4.786 2.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 14.793 -4.336 2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 13.524 -3.209 2.392 1.00 0.00 H new ATOM 146 N ASN A 36 16.068 -5.601 -4.558 1.00 0.00 N ATOM 147 CA ASN A 36 16.667 -6.334 -5.673 1.00 0.00 C ATOM 148 C ASN A 36 15.677 -6.559 -6.823 1.00 0.00 C ATOM 149 O ASN A 36 15.173 -7.667 -7.014 1.00 0.00 O ATOM 150 CB ASN A 36 17.207 -7.680 -5.179 1.00 0.00 C ATOM 151 CG ASN A 36 18.323 -8.219 -6.055 1.00 0.00 C ATOM 152 OD1 ASN A 36 19.498 -7.975 -5.802 1.00 0.00 O ATOM 153 ND2 ASN A 36 17.958 -8.953 -7.094 1.00 0.00 N ATOM 0 H ASN A 36 15.765 -6.191 -3.783 1.00 0.00 H new ATOM 0 HA ASN A 36 17.483 -5.725 -6.062 1.00 0.00 H new ATOM 0 HB2 ASN A 36 17.573 -7.568 -4.159 1.00 0.00 H new ATOM 0 HB3 ASN A 36 16.393 -8.404 -5.148 1.00 0.00 H new ATOM 0 HD21 ASN A 36 18.665 -9.339 -7.719 1.00 0.00 H new ATOM 0 HD22 ASN A 36 16.969 -9.133 -7.269 1.00 0.00 H new ATOM 160 N GLY A 37 15.403 -5.503 -7.587 1.00 0.00 N ATOM 161 CA GLY A 37 14.494 -5.616 -8.721 1.00 0.00 C ATOM 162 C GLY A 37 13.048 -5.274 -8.391 1.00 0.00 C ATOM 163 O GLY A 37 12.202 -5.224 -9.282 1.00 0.00 O ATOM 0 H GLY A 37 15.793 -4.572 -7.443 1.00 0.00 H new ATOM 0 HA2 GLY A 37 14.840 -4.957 -9.518 1.00 0.00 H new ATOM 0 HA3 GLY A 37 14.537 -6.634 -9.108 1.00 0.00 H new ATOM 167 N TYR A 38 12.762 -5.036 -7.115 1.00 0.00 N ATOM 168 CA TYR A 38 11.406 -4.700 -6.682 1.00 0.00 C ATOM 169 C TYR A 38 11.432 -3.620 -5.603 1.00 0.00 C ATOM 170 O TYR A 38 12.474 -3.352 -5.010 1.00 0.00 O ATOM 171 CB TYR A 38 10.678 -5.955 -6.175 1.00 0.00 C ATOM 172 CG TYR A 38 11.239 -6.540 -4.895 1.00 0.00 C ATOM 173 CD1 TYR A 38 12.372 -7.347 -4.910 1.00 0.00 C ATOM 174 CD2 TYR A 38 10.626 -6.296 -3.671 1.00 0.00 C ATOM 175 CE1 TYR A 38 12.879 -7.888 -3.744 1.00 0.00 C ATOM 176 CE2 TYR A 38 11.128 -6.835 -2.503 1.00 0.00 C ATOM 177 CZ TYR A 38 12.253 -7.629 -2.542 1.00 0.00 C ATOM 178 OH TYR A 38 12.752 -8.168 -1.380 1.00 0.00 O ATOM 0 H TYR A 38 13.449 -5.069 -6.362 1.00 0.00 H new ATOM 0 HA TYR A 38 10.861 -4.307 -7.540 1.00 0.00 H new ATOM 0 HB2 TYR A 38 9.628 -5.710 -6.016 1.00 0.00 H new ATOM 0 HB3 TYR A 38 10.713 -6.718 -6.953 1.00 0.00 H new ATOM 0 HD1 TYR A 38 12.864 -7.554 -5.849 1.00 0.00 H new ATOM 0 HD2 TYR A 38 9.743 -5.675 -3.633 1.00 0.00 H new ATOM 0 HE1 TYR A 38 13.761 -8.511 -3.773 1.00 0.00 H new ATOM 0 HE2 TYR A 38 10.640 -6.634 -1.561 1.00 0.00 H new ATOM 0 HH TYR A 38 12.195 -7.887 -0.624 1.00 0.00 H new ATOM 188 N GLN A 39 10.288 -2.990 -5.355 1.00 0.00 N ATOM 189 CA GLN A 39 10.208 -1.937 -4.340 1.00 0.00 C ATOM 190 C GLN A 39 9.327 -2.359 -3.165 1.00 0.00 C ATOM 191 O GLN A 39 8.432 -3.193 -3.311 1.00 0.00 O ATOM 192 CB GLN A 39 9.677 -0.632 -4.943 1.00 0.00 C ATOM 193 CG GLN A 39 9.740 -0.577 -6.462 1.00 0.00 C ATOM 194 CD GLN A 39 10.287 0.740 -6.976 1.00 0.00 C ATOM 195 OE1 GLN A 39 9.602 1.759 -6.961 1.00 0.00 O ATOM 196 NE2 GLN A 39 11.524 0.726 -7.443 1.00 0.00 N ATOM 0 H GLN A 39 9.410 -3.185 -5.836 1.00 0.00 H new ATOM 0 HA GLN A 39 11.220 -1.770 -3.970 1.00 0.00 H new ATOM 0 HB2 GLN A 39 8.643 -0.494 -4.628 1.00 0.00 H new ATOM 0 HB3 GLN A 39 10.248 0.202 -4.536 1.00 0.00 H new ATOM 0 HG2 GLN A 39 10.365 -1.392 -6.826 1.00 0.00 H new ATOM 0 HG3 GLN A 39 8.741 -0.735 -6.869 1.00 0.00 H new ATOM 0 HE21 GLN A 39 12.061 -0.141 -7.438 1.00 0.00 H new ATOM 0 HE22 GLN A 39 11.941 1.582 -7.808 1.00 0.00 H new ATOM 205 N GLU A 40 9.583 -1.766 -2.003 1.00 0.00 N ATOM 206 CA GLU A 40 8.824 -2.088 -0.795 1.00 0.00 C ATOM 207 C GLU A 40 8.605 -0.850 0.079 1.00 0.00 C ATOM 208 O GLU A 40 9.489 -0.004 0.219 1.00 0.00 O ATOM 209 CB GLU A 40 9.562 -3.165 0.007 1.00 0.00 C ATOM 210 CG GLU A 40 8.726 -3.802 1.108 1.00 0.00 C ATOM 211 CD GLU A 40 9.558 -4.215 2.308 1.00 0.00 C ATOM 212 OE1 GLU A 40 9.723 -3.388 3.230 1.00 0.00 O ATOM 213 OE2 GLU A 40 10.042 -5.370 2.328 1.00 0.00 O ATOM 0 H GLU A 40 10.308 -1.061 -1.870 1.00 0.00 H new ATOM 0 HA GLU A 40 7.846 -2.460 -1.101 1.00 0.00 H new ATOM 0 HB2 GLU A 40 9.899 -3.945 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.454 -2.724 0.452 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.957 -3.099 1.428 1.00 0.00 H new ATOM 0 HG3 GLU A 40 8.212 -4.676 0.709 1.00 0.00 H new ATOM 220 N ILE A 41 7.421 -0.750 0.668 1.00 0.00 N ATOM 221 CA ILE A 41 7.093 0.375 1.544 1.00 0.00 C ATOM 222 C ILE A 41 6.236 -0.085 2.727 1.00 0.00 C ATOM 223 O ILE A 41 5.229 -0.774 2.550 1.00 0.00 O ATOM 224 CB ILE A 41 6.368 1.516 0.783 1.00 0.00 C ATOM 225 CG1 ILE A 41 5.797 2.547 1.761 1.00 0.00 C ATOM 226 CG2 ILE A 41 5.261 0.962 -0.101 1.00 0.00 C ATOM 227 CD1 ILE A 41 6.431 3.919 1.652 1.00 0.00 C ATOM 0 H ILE A 41 6.670 -1.432 0.558 1.00 0.00 H new ATOM 0 HA ILE A 41 8.039 0.768 1.917 1.00 0.00 H new ATOM 0 HB ILE A 41 7.102 2.011 0.147 1.00 0.00 H new ATOM 0 HG12 ILE A 41 4.724 2.639 1.590 1.00 0.00 H new ATOM 0 HG13 ILE A 41 5.927 2.178 2.778 1.00 0.00 H new ATOM 0 HG21 ILE A 41 4.768 1.782 -0.624 1.00 0.00 H new ATOM 0 HG22 ILE A 41 5.688 0.272 -0.829 1.00 0.00 H new ATOM 0 HG23 ILE A 41 4.533 0.435 0.515 1.00 0.00 H new ATOM 0 HD11 ILE A 41 5.972 4.591 2.377 1.00 0.00 H new ATOM 0 HD12 ILE A 41 7.500 3.843 1.853 1.00 0.00 H new ATOM 0 HD13 ILE A 41 6.278 4.312 0.647 1.00 0.00 H new ATOM 239 N ARG A 42 6.655 0.281 3.934 1.00 0.00 N ATOM 240 CA ARG A 42 5.922 -0.088 5.140 1.00 0.00 C ATOM 241 C ARG A 42 4.894 0.979 5.507 1.00 0.00 C ATOM 242 O ARG A 42 5.242 2.089 5.914 1.00 0.00 O ATOM 243 CB ARG A 42 6.886 -0.317 6.305 1.00 0.00 C ATOM 244 CG ARG A 42 6.642 -1.626 7.037 1.00 0.00 C ATOM 245 CD ARG A 42 7.531 -1.758 8.263 1.00 0.00 C ATOM 246 NE ARG A 42 6.923 -2.603 9.287 1.00 0.00 N ATOM 247 CZ ARG A 42 7.604 -3.229 10.232 1.00 0.00 C ATOM 248 NH1 ARG A 42 8.908 -3.110 10.303 1.00 0.00 N ATOM 249 NH2 ARG A 42 6.978 -3.975 11.108 1.00 0.00 N ATOM 0 H ARG A 42 7.497 0.832 4.103 1.00 0.00 H new ATOM 0 HA ARG A 42 5.390 -1.017 4.937 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.909 -0.304 5.929 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.795 0.509 7.011 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.596 -1.685 7.338 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.827 -2.461 6.361 1.00 0.00 H new ATOM 0 HD2 ARG A 42 8.493 -2.178 7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.727 -0.769 8.678 1.00 0.00 H new ATOM 0 HE ARG A 42 5.910 -2.718 9.272 1.00 0.00 H new ATOM 0 HH11 ARG A 42 9.405 -2.531 9.626 1.00 0.00 H new ATOM 0 HH12 ARG A 42 9.425 -3.596 11.035 1.00 0.00 H new ATOM 0 HH21 ARG A 42 5.964 -4.074 11.062 1.00 0.00 H new ATOM 0 HH22 ARG A 42 7.505 -4.457 11.836 1.00 0.00 H new ATOM 263 N VAL A 43 3.625 0.628 5.359 1.00 0.00 N ATOM 264 CA VAL A 43 2.527 1.536 5.666 1.00 0.00 C ATOM 265 C VAL A 43 1.921 1.202 7.027 1.00 0.00 C ATOM 266 O VAL A 43 1.193 0.219 7.176 1.00 0.00 O ATOM 267 CB VAL A 43 1.439 1.473 4.567 1.00 0.00 C ATOM 268 CG1 VAL A 43 0.331 2.480 4.827 1.00 0.00 C ATOM 269 CG2 VAL A 43 2.058 1.722 3.202 1.00 0.00 C ATOM 0 H VAL A 43 3.327 -0.289 5.025 1.00 0.00 H new ATOM 0 HA VAL A 43 2.925 2.550 5.700 1.00 0.00 H new ATOM 0 HB VAL A 43 1.000 0.475 4.587 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -0.417 2.410 4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.136 2.267 5.789 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.750 3.486 4.842 1.00 0.00 H new ATOM 0 HG21 VAL A 43 1.283 1.675 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.523 2.708 3.188 1.00 0.00 H new ATOM 0 HG23 VAL A 43 2.813 0.962 3.001 1.00 0.00 H new ATOM 279 N GLU A 44 2.250 2.020 8.023 1.00 0.00 N ATOM 280 CA GLU A 44 1.746 1.821 9.380 1.00 0.00 C ATOM 281 C GLU A 44 0.257 2.157 9.467 1.00 0.00 C ATOM 282 O GLU A 44 -0.148 3.304 9.254 1.00 0.00 O ATOM 283 CB GLU A 44 2.545 2.671 10.371 1.00 0.00 C ATOM 284 CG GLU A 44 2.570 2.103 11.782 1.00 0.00 C ATOM 285 CD GLU A 44 3.822 1.296 12.065 1.00 0.00 C ATOM 286 OE1 GLU A 44 4.823 1.888 12.518 1.00 0.00 O ATOM 287 OE2 GLU A 44 3.801 0.067 11.833 1.00 0.00 O ATOM 0 H GLU A 44 2.864 2.828 7.916 1.00 0.00 H new ATOM 0 HA GLU A 44 1.869 0.769 9.639 1.00 0.00 H new ATOM 0 HB2 GLU A 44 3.569 2.768 10.010 1.00 0.00 H new ATOM 0 HB3 GLU A 44 2.121 3.675 10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 44 2.499 2.920 12.500 1.00 0.00 H new ATOM 0 HG3 GLU A 44 1.694 1.472 11.931 1.00 0.00 H new ATOM 294 N VAL A 45 -0.544 1.146 9.791 1.00 0.00 N ATOM 295 CA VAL A 45 -1.990 1.296 9.889 1.00 0.00 C ATOM 296 C VAL A 45 -2.437 1.480 11.343 1.00 0.00 C ATOM 297 O VAL A 45 -2.533 0.520 12.113 1.00 0.00 O ATOM 298 CB VAL A 45 -2.704 0.074 9.264 1.00 0.00 C ATOM 299 CG1 VAL A 45 -4.189 0.066 9.582 1.00 0.00 C ATOM 300 CG2 VAL A 45 -2.487 0.044 7.759 1.00 0.00 C ATOM 0 H VAL A 45 -0.209 0.204 9.992 1.00 0.00 H new ATOM 0 HA VAL A 45 -2.268 2.193 9.335 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.266 -0.822 9.705 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.654 -0.808 9.125 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -4.330 0.029 10.662 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -4.651 0.971 9.187 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -2.996 -0.822 7.335 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -2.889 0.955 7.315 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -1.420 -0.022 7.546 1.00 0.00 H new ATOM 310 N MET A 46 -2.687 2.729 11.712 1.00 0.00 N ATOM 311 CA MET A 46 -3.140 3.060 13.063 1.00 0.00 C ATOM 312 C MET A 46 -4.080 4.264 13.034 1.00 0.00 C ATOM 313 O MET A 46 -3.646 5.412 13.122 1.00 0.00 O ATOM 314 CB MET A 46 -1.949 3.337 13.988 1.00 0.00 C ATOM 315 CG MET A 46 -0.812 4.085 13.314 1.00 0.00 C ATOM 316 SD MET A 46 0.716 4.035 14.272 1.00 0.00 S ATOM 317 CE MET A 46 0.451 5.398 15.404 1.00 0.00 C ATOM 0 H MET A 46 -2.584 3.535 11.095 1.00 0.00 H new ATOM 0 HA MET A 46 -3.685 2.201 13.455 1.00 0.00 H new ATOM 0 HB2 MET A 46 -2.294 3.914 14.846 1.00 0.00 H new ATOM 0 HB3 MET A 46 -1.571 2.390 14.372 1.00 0.00 H new ATOM 0 HG2 MET A 46 -0.633 3.655 12.329 1.00 0.00 H new ATOM 0 HG3 MET A 46 -1.106 5.123 13.160 1.00 0.00 H new ATOM 0 HE1 MET A 46 1.313 5.495 16.064 1.00 0.00 H new ATOM 0 HE2 MET A 46 0.321 6.321 14.838 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.442 5.208 15.999 1.00 0.00 H new ATOM 327 N GLY A 47 -5.375 3.990 12.905 1.00 0.00 N ATOM 328 CA GLY A 47 -6.359 5.060 12.833 1.00 0.00 C ATOM 329 C GLY A 47 -6.416 5.680 11.446 1.00 0.00 C ATOM 330 O GLY A 47 -7.173 6.618 11.198 1.00 0.00 O ATOM 0 H GLY A 47 -5.762 3.048 12.849 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -7.342 4.669 13.097 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -6.114 5.829 13.566 1.00 0.00 H new ATOM 334 N GLY A 48 -5.597 5.143 10.548 1.00 0.00 N ATOM 335 CA GLY A 48 -5.534 5.622 9.182 1.00 0.00 C ATOM 336 C GLY A 48 -4.275 5.138 8.485 1.00 0.00 C ATOM 337 O GLY A 48 -3.771 4.055 8.788 1.00 0.00 O ATOM 0 H GLY A 48 -4.964 4.369 10.750 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.411 5.279 8.633 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -5.560 6.712 9.175 1.00 0.00 H new ATOM 341 N TYR A 49 -3.761 5.937 7.560 1.00 0.00 N ATOM 342 CA TYR A 49 -2.548 5.578 6.829 1.00 0.00 C ATOM 343 C TYR A 49 -1.425 6.563 7.149 1.00 0.00 C ATOM 344 O TYR A 49 -1.619 7.776 7.073 1.00 0.00 O ATOM 345 CB TYR A 49 -2.825 5.558 5.323 1.00 0.00 C ATOM 346 CG TYR A 49 -3.917 4.588 4.924 1.00 0.00 C ATOM 347 CD1 TYR A 49 -3.694 3.216 4.934 1.00 0.00 C ATOM 348 CD2 TYR A 49 -5.173 5.044 4.544 1.00 0.00 C ATOM 349 CE1 TYR A 49 -4.691 2.329 4.576 1.00 0.00 C ATOM 350 CE2 TYR A 49 -6.175 4.163 4.186 1.00 0.00 C ATOM 351 CZ TYR A 49 -5.929 2.807 4.203 1.00 0.00 C ATOM 352 OH TYR A 49 -6.927 1.928 3.847 1.00 0.00 O ATOM 0 H TYR A 49 -4.162 6.837 7.297 1.00 0.00 H new ATOM 0 HA TYR A 49 -2.235 4.581 7.140 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -3.104 6.561 4.999 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -1.907 5.297 4.796 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.726 2.837 5.226 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -5.370 6.106 4.528 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -4.501 1.266 4.588 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.146 4.535 3.894 1.00 0.00 H new ATOM 0 HH TYR A 49 -7.736 2.429 3.613 1.00 0.00 H new ATOM 362 N THR A 50 -0.251 6.041 7.511 1.00 0.00 N ATOM 363 CA THR A 50 0.888 6.898 7.848 1.00 0.00 C ATOM 364 C THR A 50 1.425 7.635 6.609 1.00 0.00 C ATOM 365 O THR A 50 1.361 8.865 6.560 1.00 0.00 O ATOM 366 CB THR A 50 2.011 6.110 8.563 1.00 0.00 C ATOM 367 OG1 THR A 50 1.552 5.679 9.849 1.00 0.00 O ATOM 368 CG2 THR A 50 3.265 6.962 8.726 1.00 0.00 C ATOM 0 H THR A 50 -0.065 5.040 7.578 1.00 0.00 H new ATOM 0 HA THR A 50 0.525 7.650 8.548 1.00 0.00 H new ATOM 0 HB THR A 50 2.264 5.245 7.951 1.00 0.00 H new ATOM 0 HG1 THR A 50 0.867 4.987 9.737 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.036 6.381 9.232 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.627 7.269 7.745 1.00 0.00 H new ATOM 0 HG23 THR A 50 3.030 7.846 9.319 1.00 0.00 H new ATOM 376 N PRO A 51 1.973 6.929 5.587 1.00 0.00 N ATOM 377 CA PRO A 51 2.452 7.595 4.374 1.00 0.00 C ATOM 378 C PRO A 51 1.286 8.032 3.489 1.00 0.00 C ATOM 379 O PRO A 51 0.718 7.224 2.750 1.00 0.00 O ATOM 380 CB PRO A 51 3.288 6.522 3.680 1.00 0.00 C ATOM 381 CG PRO A 51 2.693 5.233 4.128 1.00 0.00 C ATOM 382 CD PRO A 51 2.204 5.468 5.533 1.00 0.00 C ATOM 0 HA PRO A 51 3.017 8.502 4.588 1.00 0.00 H new ATOM 0 HB2 PRO A 51 3.242 6.624 2.596 1.00 0.00 H new ATOM 0 HB3 PRO A 51 4.338 6.593 3.963 1.00 0.00 H new ATOM 0 HG2 PRO A 51 1.874 4.933 3.475 1.00 0.00 H new ATOM 0 HG3 PRO A 51 3.432 4.432 4.101 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.290 4.911 5.737 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.941 5.152 6.271 1.00 0.00 H new ATOM 390 N GLU A 52 0.923 9.310 3.584 1.00 0.00 N ATOM 391 CA GLU A 52 -0.187 9.868 2.800 1.00 0.00 C ATOM 392 C GLU A 52 -0.042 9.563 1.307 1.00 0.00 C ATOM 393 O GLU A 52 -1.009 9.176 0.648 1.00 0.00 O ATOM 394 CB GLU A 52 -0.297 11.383 3.020 1.00 0.00 C ATOM 395 CG GLU A 52 1.033 12.121 2.945 1.00 0.00 C ATOM 396 CD GLU A 52 1.391 12.812 4.248 1.00 0.00 C ATOM 397 OE1 GLU A 52 2.034 12.167 5.101 1.00 0.00 O ATOM 398 OE2 GLU A 52 1.013 13.991 4.418 1.00 0.00 O ATOM 0 H GLU A 52 1.381 9.984 4.198 1.00 0.00 H new ATOM 0 HA GLU A 52 -1.101 9.389 3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -0.974 11.799 2.274 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -0.747 11.566 3.996 1.00 0.00 H new ATOM 0 HG2 GLU A 52 1.822 11.415 2.684 1.00 0.00 H new ATOM 0 HG3 GLU A 52 0.989 12.861 2.146 1.00 0.00 H new ATOM 405 N LEU A 53 1.166 9.738 0.779 1.00 0.00 N ATOM 406 CA LEU A 53 1.430 9.476 -0.631 1.00 0.00 C ATOM 407 C LEU A 53 2.686 8.624 -0.800 1.00 0.00 C ATOM 408 O LEU A 53 3.776 9.030 -0.399 1.00 0.00 O ATOM 409 CB LEU A 53 1.586 10.786 -1.417 1.00 0.00 C ATOM 410 CG LEU A 53 1.273 12.073 -0.651 1.00 0.00 C ATOM 411 CD1 LEU A 53 2.127 13.219 -1.167 1.00 0.00 C ATOM 412 CD2 LEU A 53 -0.205 12.420 -0.769 1.00 0.00 C ATOM 0 H LEU A 53 1.977 10.060 1.307 1.00 0.00 H new ATOM 0 HA LEU A 53 0.574 8.929 -1.028 1.00 0.00 H new ATOM 0 HB2 LEU A 53 2.611 10.846 -1.784 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.937 10.741 -2.291 1.00 0.00 H new ATOM 0 HG LEU A 53 1.507 11.911 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 53 1.892 14.127 -0.611 1.00 0.00 H new ATOM 0 HD12 LEU A 53 3.181 12.975 -1.035 1.00 0.00 H new ATOM 0 HD13 LEU A 53 1.921 13.378 -2.226 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -0.408 13.338 -0.218 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.463 12.562 -1.819 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.803 11.608 -0.355 1.00 0.00 H new ATOM 424 N ILE A 54 2.528 7.441 -1.388 1.00 0.00 N ATOM 425 CA ILE A 54 3.664 6.543 -1.612 1.00 0.00 C ATOM 426 C ILE A 54 4.204 6.689 -3.036 1.00 0.00 C ATOM 427 O ILE A 54 3.458 6.598 -4.011 1.00 0.00 O ATOM 428 CB ILE A 54 3.302 5.061 -1.351 1.00 0.00 C ATOM 429 CG1 ILE A 54 1.936 4.711 -1.947 1.00 0.00 C ATOM 430 CG2 ILE A 54 3.325 4.765 0.138 1.00 0.00 C ATOM 431 CD1 ILE A 54 1.581 3.243 -1.825 1.00 0.00 C ATOM 0 H ILE A 54 1.632 7.081 -1.717 1.00 0.00 H new ATOM 0 HA ILE A 54 4.434 6.835 -0.898 1.00 0.00 H new ATOM 0 HB ILE A 54 4.050 4.440 -1.843 1.00 0.00 H new ATOM 0 HG12 ILE A 54 1.169 5.305 -1.450 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.925 4.993 -3.000 1.00 0.00 H new ATOM 0 HG21 ILE A 54 3.068 3.719 0.305 1.00 0.00 H new ATOM 0 HG22 ILE A 54 4.322 4.962 0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 54 2.601 5.402 0.647 1.00 0.00 H new ATOM 0 HD11 ILE A 54 0.601 3.068 -2.268 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.327 2.644 -2.347 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.559 2.960 -0.773 1.00 0.00 H new ATOM 443 N VAL A 55 5.506 6.929 -3.147 1.00 0.00 N ATOM 444 CA VAL A 55 6.142 7.097 -4.453 1.00 0.00 C ATOM 445 C VAL A 55 6.825 5.809 -4.918 1.00 0.00 C ATOM 446 O VAL A 55 7.645 5.231 -4.200 1.00 0.00 O ATOM 447 CB VAL A 55 7.173 8.246 -4.430 1.00 0.00 C ATOM 448 CG1 VAL A 55 7.813 8.435 -5.797 1.00 0.00 C ATOM 449 CG2 VAL A 55 6.523 9.538 -3.964 1.00 0.00 C ATOM 0 H VAL A 55 6.141 7.012 -2.353 1.00 0.00 H new ATOM 0 HA VAL A 55 5.349 7.345 -5.158 1.00 0.00 H new ATOM 0 HB VAL A 55 7.959 7.978 -3.724 1.00 0.00 H new ATOM 0 HG11 VAL A 55 8.535 9.251 -5.751 1.00 0.00 H new ATOM 0 HG12 VAL A 55 8.321 7.517 -6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 55 7.042 8.673 -6.530 1.00 0.00 H new ATOM 0 HG21 VAL A 55 7.265 10.336 -3.954 1.00 0.00 H new ATOM 0 HG22 VAL A 55 5.713 9.804 -4.644 1.00 0.00 H new ATOM 0 HG23 VAL A 55 6.123 9.402 -2.959 1.00 0.00 H new ATOM 459 N LEU A 56 6.478 5.373 -6.128 1.00 0.00 N ATOM 460 CA LEU A 56 7.043 4.153 -6.708 1.00 0.00 C ATOM 461 C LEU A 56 7.423 4.358 -8.178 1.00 0.00 C ATOM 462 O LEU A 56 7.016 5.337 -8.809 1.00 0.00 O ATOM 463 CB LEU A 56 6.037 3.000 -6.598 1.00 0.00 C ATOM 464 CG LEU A 56 5.641 2.609 -5.173 1.00 0.00 C ATOM 465 CD1 LEU A 56 4.185 2.176 -5.122 1.00 0.00 C ATOM 466 CD2 LEU A 56 6.543 1.502 -4.656 1.00 0.00 C ATOM 0 H LEU A 56 5.805 5.848 -6.729 1.00 0.00 H new ATOM 0 HA LEU A 56 7.946 3.908 -6.149 1.00 0.00 H new ATOM 0 HB2 LEU A 56 5.135 3.274 -7.146 1.00 0.00 H new ATOM 0 HB3 LEU A 56 6.457 2.125 -7.093 1.00 0.00 H new ATOM 0 HG LEU A 56 5.762 3.482 -4.531 1.00 0.00 H new ATOM 0 HD11 LEU A 56 3.923 1.902 -4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 56 3.549 2.998 -5.452 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.038 1.317 -5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 56 6.247 1.236 -3.641 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.453 0.628 -5.301 1.00 0.00 H new ATOM 0 HD23 LEU A 56 7.577 1.846 -4.654 1.00 0.00 H new ATOM 478 N LYS A 57 8.212 3.432 -8.720 1.00 0.00 N ATOM 479 CA LYS A 57 8.635 3.504 -10.119 1.00 0.00 C ATOM 480 C LYS A 57 7.625 2.800 -11.030 1.00 0.00 C ATOM 481 O LYS A 57 6.658 2.205 -10.555 1.00 0.00 O ATOM 482 CB LYS A 57 10.020 2.879 -10.290 1.00 0.00 C ATOM 483 CG LYS A 57 11.155 3.891 -10.264 1.00 0.00 C ATOM 484 CD LYS A 57 12.485 3.226 -9.953 1.00 0.00 C ATOM 485 CE LYS A 57 13.648 3.988 -10.568 1.00 0.00 C ATOM 486 NZ LYS A 57 14.962 3.398 -10.190 1.00 0.00 N ATOM 0 H LYS A 57 8.571 2.623 -8.213 1.00 0.00 H new ATOM 0 HA LYS A 57 8.684 4.555 -10.405 1.00 0.00 H new ATOM 0 HB2 LYS A 57 10.179 2.148 -9.498 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.050 2.337 -11.235 1.00 0.00 H new ATOM 0 HG2 LYS A 57 11.216 4.396 -11.228 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.945 4.656 -9.516 1.00 0.00 H new ATOM 0 HD2 LYS A 57 12.619 3.166 -8.873 1.00 0.00 H new ATOM 0 HD3 LYS A 57 12.479 2.204 -10.331 1.00 0.00 H new ATOM 0 HE2 LYS A 57 13.549 3.987 -11.653 1.00 0.00 H new ATOM 0 HE3 LYS A 57 13.611 5.028 -10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 15.705 4.120 -10.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 14.922 3.063 -9.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 15.178 2.599 -10.820 1.00 0.00 H new ATOM 500 N LYS A 58 7.852 2.865 -12.339 1.00 0.00 N ATOM 501 CA LYS A 58 6.945 2.241 -13.302 1.00 0.00 C ATOM 502 C LYS A 58 7.549 0.974 -13.917 1.00 0.00 C ATOM 503 O LYS A 58 8.765 0.870 -14.080 1.00 0.00 O ATOM 504 CB LYS A 58 6.590 3.240 -14.403 1.00 0.00 C ATOM 505 CG LYS A 58 5.458 2.780 -15.307 1.00 0.00 C ATOM 506 CD LYS A 58 5.212 3.766 -16.438 1.00 0.00 C ATOM 507 CE LYS A 58 6.177 3.546 -17.592 1.00 0.00 C ATOM 508 NZ LYS A 58 6.998 4.759 -17.875 1.00 0.00 N ATOM 0 H LYS A 58 8.652 3.341 -12.757 1.00 0.00 H new ATOM 0 HA LYS A 58 6.042 1.948 -12.767 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.313 4.189 -13.944 1.00 0.00 H new ATOM 0 HB3 LYS A 58 7.475 3.426 -15.011 1.00 0.00 H new ATOM 0 HG2 LYS A 58 5.697 1.801 -15.722 1.00 0.00 H new ATOM 0 HG3 LYS A 58 4.547 2.663 -14.720 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.187 3.663 -16.795 1.00 0.00 H new ATOM 0 HD3 LYS A 58 5.318 4.784 -16.063 1.00 0.00 H new ATOM 0 HE2 LYS A 58 6.835 2.709 -17.359 1.00 0.00 H new ATOM 0 HE3 LYS A 58 5.616 3.271 -18.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.642 4.565 -18.668 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 6.372 5.552 -18.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.553 5.007 -17.031 1.00 0.00 H new ATOM 522 N SER A 59 6.672 0.012 -14.241 1.00 0.00 N ATOM 523 CA SER A 59 7.069 -1.268 -14.849 1.00 0.00 C ATOM 524 C SER A 59 7.928 -2.106 -13.897 1.00 0.00 C ATOM 525 O SER A 59 8.644 -3.017 -14.322 1.00 0.00 O ATOM 526 CB SER A 59 7.815 -1.039 -16.171 1.00 0.00 C ATOM 527 OG SER A 59 8.134 -2.268 -16.800 1.00 0.00 O ATOM 0 H SER A 59 5.667 0.099 -14.089 1.00 0.00 H new ATOM 0 HA SER A 59 6.154 -1.824 -15.053 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.200 -0.435 -16.838 1.00 0.00 H new ATOM 0 HB3 SER A 59 8.729 -0.476 -15.983 1.00 0.00 H new ATOM 0 HG SER A 59 8.476 -2.898 -16.132 1.00 0.00 H new ATOM 533 N VAL A 60 7.842 -1.800 -12.608 1.00 0.00 N ATOM 534 CA VAL A 60 8.608 -2.515 -11.595 1.00 0.00 C ATOM 535 C VAL A 60 7.683 -3.108 -10.523 1.00 0.00 C ATOM 536 O VAL A 60 6.726 -2.461 -10.092 1.00 0.00 O ATOM 537 CB VAL A 60 9.657 -1.575 -10.940 1.00 0.00 C ATOM 538 CG1 VAL A 60 8.993 -0.570 -10.014 1.00 0.00 C ATOM 539 CG2 VAL A 60 10.718 -2.365 -10.189 1.00 0.00 C ATOM 0 H VAL A 60 7.247 -1.058 -12.239 1.00 0.00 H new ATOM 0 HA VAL A 60 9.132 -3.335 -12.086 1.00 0.00 H new ATOM 0 HB VAL A 60 10.147 -1.028 -11.745 1.00 0.00 H new ATOM 0 HG11 VAL A 60 9.753 0.074 -9.571 1.00 0.00 H new ATOM 0 HG12 VAL A 60 8.289 0.038 -10.582 1.00 0.00 H new ATOM 0 HG13 VAL A 60 8.460 -1.100 -9.224 1.00 0.00 H new ATOM 0 HG21 VAL A 60 11.436 -1.677 -9.743 1.00 0.00 H new ATOM 0 HG22 VAL A 60 10.245 -2.955 -9.404 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.234 -3.030 -10.881 1.00 0.00 H new ATOM 549 N PRO A 61 7.921 -4.368 -10.109 1.00 0.00 N ATOM 550 CA PRO A 61 7.113 -5.012 -9.069 1.00 0.00 C ATOM 551 C PRO A 61 7.261 -4.308 -7.720 1.00 0.00 C ATOM 552 O PRO A 61 8.369 -4.146 -7.210 1.00 0.00 O ATOM 553 CB PRO A 61 7.673 -6.440 -9.001 1.00 0.00 C ATOM 554 CG PRO A 61 9.033 -6.355 -9.609 1.00 0.00 C ATOM 555 CD PRO A 61 8.965 -5.262 -10.636 1.00 0.00 C ATOM 0 HA PRO A 61 6.048 -4.980 -9.298 1.00 0.00 H new ATOM 0 HB2 PRO A 61 7.723 -6.795 -7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 61 7.040 -7.138 -9.548 1.00 0.00 H new ATOM 0 HG2 PRO A 61 9.785 -6.132 -8.852 1.00 0.00 H new ATOM 0 HG3 PRO A 61 9.314 -7.303 -10.067 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.920 -4.748 -10.740 1.00 0.00 H new ATOM 0 HD3 PRO A 61 8.703 -5.650 -11.620 1.00 0.00 H new ATOM 563 N ALA A 62 6.147 -3.873 -7.153 1.00 0.00 N ATOM 564 CA ALA A 62 6.173 -3.179 -5.871 1.00 0.00 C ATOM 565 C ALA A 62 5.258 -3.847 -4.850 1.00 0.00 C ATOM 566 O ALA A 62 4.153 -4.278 -5.177 1.00 0.00 O ATOM 567 CB ALA A 62 5.780 -1.723 -6.062 1.00 0.00 C ATOM 0 H ALA A 62 5.217 -3.986 -7.556 1.00 0.00 H new ATOM 0 HA ALA A 62 7.190 -3.230 -5.482 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.802 -1.211 -5.100 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.482 -1.243 -6.744 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.774 -1.669 -6.479 1.00 0.00 H new ATOM 573 N ARG A 63 5.723 -3.936 -3.608 1.00 0.00 N ATOM 574 CA ARG A 63 4.934 -4.550 -2.552 1.00 0.00 C ATOM 575 C ARG A 63 4.695 -3.575 -1.397 1.00 0.00 C ATOM 576 O ARG A 63 5.624 -2.965 -0.859 1.00 0.00 O ATOM 577 CB ARG A 63 5.593 -5.852 -2.070 1.00 0.00 C ATOM 578 CG ARG A 63 6.827 -5.663 -1.205 1.00 0.00 C ATOM 579 CD ARG A 63 7.748 -6.870 -1.286 1.00 0.00 C ATOM 580 NE ARG A 63 8.649 -6.951 -0.140 1.00 0.00 N ATOM 581 CZ ARG A 63 9.072 -8.083 0.396 1.00 0.00 C ATOM 582 NH1 ARG A 63 8.696 -9.239 -0.098 1.00 0.00 N ATOM 583 NH2 ARG A 63 9.871 -8.057 1.432 1.00 0.00 N ATOM 0 H ARG A 63 6.637 -3.592 -3.312 1.00 0.00 H new ATOM 0 HA ARG A 63 3.957 -4.804 -2.962 1.00 0.00 H new ATOM 0 HB2 ARG A 63 4.858 -6.427 -1.508 1.00 0.00 H new ATOM 0 HB3 ARG A 63 5.866 -6.448 -2.941 1.00 0.00 H new ATOM 0 HG2 ARG A 63 7.365 -4.770 -1.525 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.527 -5.501 -0.170 1.00 0.00 H new ATOM 0 HD2 ARG A 63 7.149 -7.779 -1.341 1.00 0.00 H new ATOM 0 HD3 ARG A 63 8.333 -6.818 -2.204 1.00 0.00 H new ATOM 0 HE ARG A 63 8.973 -6.077 0.274 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.071 -9.270 -0.904 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.029 -10.106 0.324 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.167 -7.164 1.825 1.00 0.00 H new ATOM 0 HH22 ARG A 63 10.198 -8.930 1.846 1.00 0.00 H new ATOM 597 N ILE A 64 3.430 -3.416 -1.041 1.00 0.00 N ATOM 598 CA ILE A 64 3.036 -2.519 0.042 1.00 0.00 C ATOM 599 C ILE A 64 2.781 -3.301 1.330 1.00 0.00 C ATOM 600 O ILE A 64 1.867 -4.120 1.396 1.00 0.00 O ATOM 601 CB ILE A 64 1.765 -1.716 -0.324 1.00 0.00 C ATOM 602 CG1 ILE A 64 1.762 -1.340 -1.814 1.00 0.00 C ATOM 603 CG2 ILE A 64 1.657 -0.470 0.544 1.00 0.00 C ATOM 604 CD1 ILE A 64 2.745 -0.246 -2.179 1.00 0.00 C ATOM 0 H ILE A 64 2.651 -3.899 -1.488 1.00 0.00 H new ATOM 0 HA ILE A 64 3.860 -1.823 0.197 1.00 0.00 H new ATOM 0 HB ILE A 64 0.897 -2.347 -0.135 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.990 -2.229 -2.402 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.759 -1.020 -2.095 1.00 0.00 H new ATOM 0 HG21 ILE A 64 0.758 0.084 0.275 1.00 0.00 H new ATOM 0 HG22 ILE A 64 1.603 -0.761 1.593 1.00 0.00 H new ATOM 0 HG23 ILE A 64 2.532 0.160 0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 64 2.680 -0.040 -3.247 1.00 0.00 H new ATOM 0 HD12 ILE A 64 2.506 0.659 -1.620 1.00 0.00 H new ATOM 0 HD13 ILE A 64 3.757 -0.569 -1.932 1.00 0.00 H new ATOM 616 N VAL A 65 3.594 -3.045 2.351 1.00 0.00 N ATOM 617 CA VAL A 65 3.460 -3.742 3.630 1.00 0.00 C ATOM 618 C VAL A 65 2.541 -2.983 4.587 1.00 0.00 C ATOM 619 O VAL A 65 2.912 -1.941 5.124 1.00 0.00 O ATOM 620 CB VAL A 65 4.834 -3.945 4.309 1.00 0.00 C ATOM 621 CG1 VAL A 65 4.746 -5.017 5.386 1.00 0.00 C ATOM 622 CG2 VAL A 65 5.900 -4.305 3.283 1.00 0.00 C ATOM 0 H VAL A 65 4.351 -2.362 2.320 1.00 0.00 H new ATOM 0 HA VAL A 65 3.022 -4.715 3.409 1.00 0.00 H new ATOM 0 HB VAL A 65 5.120 -3.005 4.780 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.723 -5.145 5.852 1.00 0.00 H new ATOM 0 HG12 VAL A 65 4.020 -4.715 6.141 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.432 -5.959 4.937 1.00 0.00 H new ATOM 0 HG21 VAL A 65 6.857 -4.443 3.786 1.00 0.00 H new ATOM 0 HG22 VAL A 65 5.620 -5.229 2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 65 5.987 -3.502 2.551 1.00 0.00 H new ATOM 632 N PHE A 66 1.343 -3.514 4.802 1.00 0.00 N ATOM 633 CA PHE A 66 0.371 -2.884 5.694 1.00 0.00 C ATOM 634 C PHE A 66 0.440 -3.474 7.103 1.00 0.00 C ATOM 635 O PHE A 66 -0.046 -4.578 7.351 1.00 0.00 O ATOM 636 CB PHE A 66 -1.043 -3.040 5.127 1.00 0.00 C ATOM 637 CG PHE A 66 -1.298 -2.183 3.921 1.00 0.00 C ATOM 638 CD1 PHE A 66 -1.439 -0.812 4.048 1.00 0.00 C ATOM 639 CD2 PHE A 66 -1.386 -2.749 2.659 1.00 0.00 C ATOM 640 CE1 PHE A 66 -1.665 -0.019 2.939 1.00 0.00 C ATOM 641 CE2 PHE A 66 -1.611 -1.961 1.546 1.00 0.00 C ATOM 642 CZ PHE A 66 -1.750 -0.594 1.687 1.00 0.00 C ATOM 0 H PHE A 66 1.019 -4.380 4.371 1.00 0.00 H new ATOM 0 HA PHE A 66 0.617 -1.824 5.762 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -1.208 -4.085 4.863 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -1.767 -2.789 5.902 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -1.372 -0.357 5.025 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -1.278 -3.817 2.544 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -1.775 1.049 3.052 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -1.678 -2.413 0.568 1.00 0.00 H new ATOM 0 HZ PHE A 66 -1.925 0.024 0.819 1.00 0.00 H new ATOM 652 N ASP A 67 1.050 -2.729 8.019 1.00 0.00 N ATOM 653 CA ASP A 67 1.182 -3.168 9.408 1.00 0.00 C ATOM 654 C ASP A 67 -0.012 -2.684 10.236 1.00 0.00 C ATOM 655 O ASP A 67 -0.107 -1.503 10.567 1.00 0.00 O ATOM 656 CB ASP A 67 2.490 -2.636 10.004 1.00 0.00 C ATOM 657 CG ASP A 67 3.088 -3.576 11.034 1.00 0.00 C ATOM 658 OD1 ASP A 67 2.404 -3.873 12.035 1.00 0.00 O ATOM 659 OD2 ASP A 67 4.241 -4.017 10.836 1.00 0.00 O ATOM 0 H ASP A 67 1.462 -1.816 7.826 1.00 0.00 H new ATOM 0 HA ASP A 67 1.201 -4.258 9.431 1.00 0.00 H new ATOM 0 HB2 ASP A 67 3.211 -2.475 9.202 1.00 0.00 H new ATOM 0 HB3 ASP A 67 2.306 -1.666 10.466 1.00 0.00 H new ATOM 664 N ARG A 68 -0.913 -3.605 10.570 1.00 0.00 N ATOM 665 CA ARG A 68 -2.105 -3.258 11.345 1.00 0.00 C ATOM 666 C ARG A 68 -1.797 -3.129 12.837 1.00 0.00 C ATOM 667 O ARG A 68 -1.710 -4.125 13.559 1.00 0.00 O ATOM 668 CB ARG A 68 -3.205 -4.297 11.123 1.00 0.00 C ATOM 669 CG ARG A 68 -4.520 -3.694 10.653 1.00 0.00 C ATOM 670 CD ARG A 68 -5.669 -4.063 11.578 1.00 0.00 C ATOM 671 NE ARG A 68 -6.376 -5.253 11.117 1.00 0.00 N ATOM 672 CZ ARG A 68 -7.600 -5.577 11.492 1.00 0.00 C ATOM 673 NH1 ARG A 68 -8.263 -4.824 12.333 1.00 0.00 N ATOM 674 NH2 ARG A 68 -8.162 -6.659 11.018 1.00 0.00 N ATOM 0 H ARG A 68 -0.843 -4.591 10.319 1.00 0.00 H new ATOM 0 HA ARG A 68 -2.451 -2.286 10.993 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.864 -5.025 10.387 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.375 -4.840 12.053 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.426 -2.609 10.604 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -4.739 -4.041 9.643 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -5.285 -4.235 12.583 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -6.367 -3.228 11.642 1.00 0.00 H new ATOM 0 HE ARG A 68 -5.895 -5.873 10.465 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -7.835 -3.977 12.706 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -9.208 -5.085 12.615 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -7.655 -7.251 10.360 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.107 -6.911 11.306 1.00 0.00 H new ATOM 688 N LYS A 69 -1.645 -1.888 13.289 1.00 0.00 N ATOM 689 CA LYS A 69 -1.353 -1.600 14.690 1.00 0.00 C ATOM 690 C LYS A 69 -2.646 -1.387 15.484 1.00 0.00 C ATOM 691 O LYS A 69 -2.763 -1.822 16.627 1.00 0.00 O ATOM 692 CB LYS A 69 -0.457 -0.360 14.792 1.00 0.00 C ATOM 693 CG LYS A 69 -0.043 -0.004 16.213 1.00 0.00 C ATOM 694 CD LYS A 69 -0.761 1.242 16.713 1.00 0.00 C ATOM 695 CE LYS A 69 -1.069 1.154 18.198 1.00 0.00 C ATOM 696 NZ LYS A 69 -2.031 2.208 18.632 1.00 0.00 N ATOM 0 H LYS A 69 -1.720 -1.059 12.700 1.00 0.00 H new ATOM 0 HA LYS A 69 -0.829 -2.455 15.117 1.00 0.00 H new ATOM 0 HB2 LYS A 69 0.440 -0.524 14.195 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -0.981 0.490 14.355 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -0.262 -0.841 16.876 1.00 0.00 H new ATOM 0 HG3 LYS A 69 1.034 0.158 16.249 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.144 2.120 16.521 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.688 1.376 16.156 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -1.481 0.171 18.425 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -0.144 1.251 18.767 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.034 2.269 19.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.745 3.125 18.232 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -2.985 1.966 18.296 1.00 0.00 H new ATOM 710 N ASP A 70 -3.614 -0.715 14.868 1.00 0.00 N ATOM 711 CA ASP A 70 -4.891 -0.449 15.526 1.00 0.00 C ATOM 712 C ASP A 70 -6.009 -1.319 14.937 1.00 0.00 C ATOM 713 O ASP A 70 -6.107 -1.479 13.720 1.00 0.00 O ATOM 714 CB ASP A 70 -5.244 1.036 15.413 1.00 0.00 C ATOM 715 CG ASP A 70 -5.493 1.674 16.767 1.00 0.00 C ATOM 716 OD1 ASP A 70 -4.503 2.002 17.458 1.00 0.00 O ATOM 717 OD2 ASP A 70 -6.674 1.846 17.133 1.00 0.00 O ATOM 0 H ASP A 70 -3.541 -0.346 13.920 1.00 0.00 H new ATOM 0 HA ASP A 70 -4.792 -0.706 16.581 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.433 1.562 14.909 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.132 1.150 14.792 1.00 0.00 H new ATOM 722 N PRO A 71 -6.882 -1.875 15.802 1.00 0.00 N ATOM 723 CA PRO A 71 -7.991 -2.742 15.381 1.00 0.00 C ATOM 724 C PRO A 71 -9.221 -1.966 14.899 1.00 0.00 C ATOM 725 O PRO A 71 -10.357 -2.342 15.189 1.00 0.00 O ATOM 726 CB PRO A 71 -8.314 -3.501 16.664 1.00 0.00 C ATOM 727 CG PRO A 71 -8.029 -2.519 17.747 1.00 0.00 C ATOM 728 CD PRO A 71 -6.856 -1.701 17.268 1.00 0.00 C ATOM 0 HA PRO A 71 -7.719 -3.368 14.531 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.354 -3.826 16.684 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.699 -4.395 16.764 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -8.895 -1.885 17.937 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.795 -3.027 18.682 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.958 -0.653 17.548 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -5.919 -2.056 17.697 1.00 0.00 H new ATOM 736 N SER A 72 -8.987 -0.883 14.166 1.00 0.00 N ATOM 737 CA SER A 72 -10.077 -0.060 13.641 1.00 0.00 C ATOM 738 C SER A 72 -10.875 -0.820 12.577 1.00 0.00 C ATOM 739 O SER A 72 -10.296 -1.452 11.692 1.00 0.00 O ATOM 740 CB SER A 72 -9.520 1.237 13.046 1.00 0.00 C ATOM 741 OG SER A 72 -8.489 1.773 13.860 1.00 0.00 O ATOM 0 H SER A 72 -8.054 -0.552 13.921 1.00 0.00 H new ATOM 0 HA SER A 72 -10.747 0.181 14.466 1.00 0.00 H new ATOM 0 HB2 SER A 72 -9.134 1.045 12.045 1.00 0.00 H new ATOM 0 HB3 SER A 72 -10.323 1.967 12.943 1.00 0.00 H new ATOM 0 HG SER A 72 -8.150 2.599 13.457 1.00 0.00 H new ATOM 747 N PRO A 73 -12.221 -0.748 12.635 1.00 0.00 N ATOM 748 CA PRO A 73 -13.102 -1.445 11.679 1.00 0.00 C ATOM 749 C PRO A 73 -12.917 -0.971 10.237 1.00 0.00 C ATOM 750 O PRO A 73 -13.022 -1.757 9.297 1.00 0.00 O ATOM 751 CB PRO A 73 -14.511 -1.105 12.174 1.00 0.00 C ATOM 752 CG PRO A 73 -14.342 0.140 12.976 1.00 0.00 C ATOM 753 CD PRO A 73 -12.993 0.023 13.625 1.00 0.00 C ATOM 0 HA PRO A 73 -12.887 -2.513 11.649 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.196 -0.949 11.341 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.923 -1.912 12.779 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -14.396 1.025 12.342 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -15.130 0.235 13.724 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -12.548 1.000 13.813 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -13.049 -0.492 14.584 1.00 0.00 H new ATOM 761 N CYS A 74 -12.627 0.318 10.070 1.00 0.00 N ATOM 762 CA CYS A 74 -12.424 0.898 8.742 1.00 0.00 C ATOM 763 C CYS A 74 -11.045 0.540 8.177 1.00 0.00 C ATOM 764 O CYS A 74 -10.719 0.889 7.044 1.00 0.00 O ATOM 765 CB CYS A 74 -12.577 2.419 8.798 1.00 0.00 C ATOM 766 SG CYS A 74 -12.001 3.162 10.343 1.00 0.00 S ATOM 0 H CYS A 74 -12.527 0.982 10.838 1.00 0.00 H new ATOM 0 HA CYS A 74 -13.183 0.480 8.081 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -12.026 2.860 7.968 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -13.627 2.673 8.654 1.00 0.00 H new ATOM 0 HG CYS A 74 -11.175 2.350 10.933 1.00 0.00 H new ATOM 772 N LEU A 75 -10.241 -0.159 8.976 1.00 0.00 N ATOM 773 CA LEU A 75 -8.900 -0.561 8.557 1.00 0.00 C ATOM 774 C LEU A 75 -8.743 -2.085 8.568 1.00 0.00 C ATOM 775 O LEU A 75 -7.630 -2.602 8.474 1.00 0.00 O ATOM 776 CB LEU A 75 -7.855 0.073 9.478 1.00 0.00 C ATOM 777 CG LEU A 75 -7.620 1.569 9.269 1.00 0.00 C ATOM 778 CD1 LEU A 75 -6.848 2.146 10.442 1.00 0.00 C ATOM 779 CD2 LEU A 75 -6.876 1.820 7.965 1.00 0.00 C ATOM 0 H LEU A 75 -10.495 -0.459 9.917 1.00 0.00 H new ATOM 0 HA LEU A 75 -8.749 -0.213 7.535 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -8.160 -0.089 10.512 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -6.908 -0.449 9.340 1.00 0.00 H new ATOM 0 HG LEU A 75 -8.588 2.067 9.209 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -6.686 3.212 10.282 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -7.417 1.999 11.360 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.885 1.642 10.527 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -6.719 2.891 7.836 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -5.912 1.313 7.993 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -7.464 1.436 7.131 1.00 0.00 H new ATOM 791 N ASP A 76 -9.863 -2.801 8.681 1.00 0.00 N ATOM 792 CA ASP A 76 -9.845 -4.264 8.702 1.00 0.00 C ATOM 793 C ASP A 76 -9.444 -4.838 7.337 1.00 0.00 C ATOM 794 O ASP A 76 -8.712 -5.825 7.256 1.00 0.00 O ATOM 795 CB ASP A 76 -11.222 -4.797 9.112 1.00 0.00 C ATOM 796 CG ASP A 76 -11.174 -6.233 9.602 1.00 0.00 C ATOM 797 OD1 ASP A 76 -10.965 -6.440 10.819 1.00 0.00 O ATOM 798 OD2 ASP A 76 -11.349 -7.151 8.773 1.00 0.00 O ATOM 0 H ASP A 76 -10.794 -2.391 8.759 1.00 0.00 H new ATOM 0 HA ASP A 76 -9.101 -4.582 9.432 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.633 -4.163 9.898 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.900 -4.730 8.262 1.00 0.00 H new ATOM 803 N GLN A 77 -9.932 -4.216 6.270 1.00 0.00 N ATOM 804 CA GLN A 77 -9.627 -4.664 4.913 1.00 0.00 C ATOM 805 C GLN A 77 -9.006 -3.538 4.091 1.00 0.00 C ATOM 806 O GLN A 77 -9.037 -2.373 4.489 1.00 0.00 O ATOM 807 CB GLN A 77 -10.897 -5.166 4.212 1.00 0.00 C ATOM 808 CG GLN A 77 -11.794 -6.022 5.092 1.00 0.00 C ATOM 809 CD GLN A 77 -13.020 -6.530 4.358 1.00 0.00 C ATOM 810 OE1 GLN A 77 -13.882 -5.755 3.949 1.00 0.00 O ATOM 811 NE2 GLN A 77 -13.109 -7.838 4.189 1.00 0.00 N ATOM 0 H GLN A 77 -10.541 -3.399 6.317 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.910 -5.481 4.989 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -11.467 -4.307 3.857 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -10.610 -5.744 3.333 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -11.223 -6.871 5.469 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -12.109 -5.440 5.958 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -12.373 -8.449 4.543 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -13.914 -8.236 3.705 1.00 0.00 H new ATOM 820 N ILE A 78 -8.430 -3.895 2.949 1.00 0.00 N ATOM 821 CA ILE A 78 -7.824 -2.910 2.060 1.00 0.00 C ATOM 822 C ILE A 78 -8.103 -3.254 0.596 1.00 0.00 C ATOM 823 O ILE A 78 -7.922 -4.393 0.160 1.00 0.00 O ATOM 824 CB ILE A 78 -6.297 -2.770 2.287 1.00 0.00 C ATOM 825 CG1 ILE A 78 -5.729 -1.667 1.388 1.00 0.00 C ATOM 826 CG2 ILE A 78 -5.574 -4.089 2.038 1.00 0.00 C ATOM 827 CD1 ILE A 78 -5.187 -0.484 2.157 1.00 0.00 C ATOM 0 H ILE A 78 -8.370 -4.858 2.617 1.00 0.00 H new ATOM 0 HA ILE A 78 -8.283 -1.950 2.298 1.00 0.00 H new ATOM 0 HB ILE A 78 -6.134 -2.496 3.329 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -4.933 -2.085 0.771 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -6.510 -1.323 0.710 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -4.505 -3.955 2.206 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -5.957 -4.848 2.720 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -5.743 -4.408 1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -4.801 0.258 1.458 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -5.985 -0.041 2.753 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -4.384 -0.815 2.815 1.00 0.00 H new ATOM 839 N VAL A 79 -8.572 -2.267 -0.156 1.00 0.00 N ATOM 840 CA VAL A 79 -8.870 -2.468 -1.567 1.00 0.00 C ATOM 841 C VAL A 79 -8.307 -1.327 -2.413 1.00 0.00 C ATOM 842 O VAL A 79 -8.461 -0.151 -2.082 1.00 0.00 O ATOM 843 CB VAL A 79 -10.395 -2.631 -1.821 1.00 0.00 C ATOM 844 CG1 VAL A 79 -11.207 -1.830 -0.815 1.00 0.00 C ATOM 845 CG2 VAL A 79 -10.774 -2.239 -3.247 1.00 0.00 C ATOM 0 H VAL A 79 -8.754 -1.323 0.186 1.00 0.00 H new ATOM 0 HA VAL A 79 -8.384 -3.397 -1.867 1.00 0.00 H new ATOM 0 HB VAL A 79 -10.631 -3.687 -1.691 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -12.270 -1.963 -1.017 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -10.983 -2.178 0.193 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -10.951 -0.774 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -11.848 -2.366 -3.386 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -10.507 -1.197 -3.421 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -10.239 -2.874 -3.953 1.00 0.00 H new ATOM 855 N PHE A 80 -7.629 -1.694 -3.491 1.00 0.00 N ATOM 856 CA PHE A 80 -7.051 -0.725 -4.411 1.00 0.00 C ATOM 857 C PHE A 80 -8.003 -0.495 -5.582 1.00 0.00 C ATOM 858 O PHE A 80 -8.065 -1.304 -6.511 1.00 0.00 O ATOM 859 CB PHE A 80 -5.698 -1.232 -4.923 1.00 0.00 C ATOM 860 CG PHE A 80 -4.535 -0.893 -4.031 1.00 0.00 C ATOM 861 CD1 PHE A 80 -4.332 -1.577 -2.843 1.00 0.00 C ATOM 862 CD2 PHE A 80 -3.641 0.105 -4.386 1.00 0.00 C ATOM 863 CE1 PHE A 80 -3.261 -1.273 -2.025 1.00 0.00 C ATOM 864 CE2 PHE A 80 -2.568 0.415 -3.572 1.00 0.00 C ATOM 865 CZ PHE A 80 -2.377 -0.275 -2.391 1.00 0.00 C ATOM 0 H PHE A 80 -7.465 -2.666 -3.752 1.00 0.00 H new ATOM 0 HA PHE A 80 -6.897 0.219 -3.888 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -5.749 -2.315 -5.039 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -5.517 -0.813 -5.913 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -5.020 -2.358 -2.553 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.785 0.647 -5.309 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.115 -1.814 -1.102 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.880 1.196 -3.859 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.538 -0.035 -1.754 1.00 0.00 H new ATOM 875 N PRO A 81 -8.746 0.624 -5.560 1.00 0.00 N ATOM 876 CA PRO A 81 -9.723 0.960 -6.608 1.00 0.00 C ATOM 877 C PRO A 81 -9.098 1.177 -7.988 1.00 0.00 C ATOM 878 O PRO A 81 -9.787 1.112 -9.004 1.00 0.00 O ATOM 879 CB PRO A 81 -10.360 2.263 -6.109 1.00 0.00 C ATOM 880 CG PRO A 81 -10.011 2.354 -4.664 1.00 0.00 C ATOM 881 CD PRO A 81 -8.697 1.652 -4.512 1.00 0.00 C ATOM 0 HA PRO A 81 -10.428 0.141 -6.754 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -9.977 3.122 -6.659 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -11.441 2.250 -6.251 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -9.937 3.394 -4.345 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -10.778 1.885 -4.047 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -7.857 2.333 -4.654 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -8.587 1.212 -3.521 1.00 0.00 H new ATOM 889 N ASP A 82 -7.794 1.428 -8.024 1.00 0.00 N ATOM 890 CA ASP A 82 -7.104 1.658 -9.289 1.00 0.00 C ATOM 891 C ASP A 82 -6.341 0.414 -9.772 1.00 0.00 C ATOM 892 O ASP A 82 -5.796 0.408 -10.874 1.00 0.00 O ATOM 893 CB ASP A 82 -6.145 2.843 -9.151 1.00 0.00 C ATOM 894 CG ASP A 82 -6.873 4.147 -8.884 1.00 0.00 C ATOM 895 OD1 ASP A 82 -7.620 4.603 -9.774 1.00 0.00 O ATOM 896 OD2 ASP A 82 -6.695 4.713 -7.781 1.00 0.00 O ATOM 0 H ASP A 82 -7.197 1.477 -7.199 1.00 0.00 H new ATOM 0 HA ASP A 82 -7.862 1.883 -10.039 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.445 2.648 -8.339 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -5.556 2.939 -10.063 1.00 0.00 H new ATOM 901 N PHE A 83 -6.301 -0.636 -8.949 1.00 0.00 N ATOM 902 CA PHE A 83 -5.597 -1.866 -9.323 1.00 0.00 C ATOM 903 C PHE A 83 -6.525 -3.087 -9.322 1.00 0.00 C ATOM 904 O PHE A 83 -6.249 -4.084 -9.986 1.00 0.00 O ATOM 905 CB PHE A 83 -4.415 -2.110 -8.378 1.00 0.00 C ATOM 906 CG PHE A 83 -3.220 -1.252 -8.686 1.00 0.00 C ATOM 907 CD1 PHE A 83 -2.246 -1.688 -9.569 1.00 0.00 C ATOM 908 CD2 PHE A 83 -3.074 -0.009 -8.092 1.00 0.00 C ATOM 909 CE1 PHE A 83 -1.149 -0.898 -9.856 1.00 0.00 C ATOM 910 CE2 PHE A 83 -1.981 0.783 -8.375 1.00 0.00 C ATOM 911 CZ PHE A 83 -1.016 0.339 -9.257 1.00 0.00 C ATOM 0 H PHE A 83 -6.742 -0.661 -8.030 1.00 0.00 H new ATOM 0 HA PHE A 83 -5.230 -1.731 -10.341 1.00 0.00 H new ATOM 0 HB2 PHE A 83 -4.734 -1.922 -7.353 1.00 0.00 H new ATOM 0 HB3 PHE A 83 -4.124 -3.159 -8.434 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -2.345 -2.656 -10.038 1.00 0.00 H new ATOM 0 HD2 PHE A 83 -3.824 0.344 -7.400 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -0.397 -1.248 -10.548 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.880 1.751 -7.907 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.159 0.958 -9.478 1.00 0.00 H new ATOM 921 N GLY A 84 -7.623 -3.004 -8.572 1.00 0.00 N ATOM 922 CA GLY A 84 -8.562 -4.115 -8.496 1.00 0.00 C ATOM 923 C GLY A 84 -8.130 -5.162 -7.483 1.00 0.00 C ATOM 924 O GLY A 84 -8.539 -6.322 -7.554 1.00 0.00 O ATOM 0 H GLY A 84 -7.880 -2.188 -8.016 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.549 -3.737 -8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -8.655 -4.578 -9.478 1.00 0.00 H new ATOM 928 N VAL A 85 -7.307 -4.741 -6.529 1.00 0.00 N ATOM 929 CA VAL A 85 -6.788 -5.633 -5.497 1.00 0.00 C ATOM 930 C VAL A 85 -7.522 -5.441 -4.166 1.00 0.00 C ATOM 931 O VAL A 85 -7.523 -4.350 -3.603 1.00 0.00 O ATOM 932 CB VAL A 85 -5.274 -5.394 -5.294 1.00 0.00 C ATOM 933 CG1 VAL A 85 -4.761 -6.102 -4.049 1.00 0.00 C ATOM 934 CG2 VAL A 85 -4.496 -5.836 -6.523 1.00 0.00 C ATOM 0 H VAL A 85 -6.982 -3.778 -6.449 1.00 0.00 H new ATOM 0 HA VAL A 85 -6.954 -6.656 -5.833 1.00 0.00 H new ATOM 0 HB VAL A 85 -5.121 -4.324 -5.151 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -3.693 -5.913 -3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.290 -5.727 -3.173 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.931 -7.174 -4.144 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -3.432 -5.661 -6.363 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -4.666 -6.898 -6.699 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -4.831 -5.267 -7.390 1.00 0.00 H new ATOM 944 N HIS A 86 -8.146 -6.506 -3.675 1.00 0.00 N ATOM 945 CA HIS A 86 -8.877 -6.457 -2.403 1.00 0.00 C ATOM 946 C HIS A 86 -8.382 -7.551 -1.454 1.00 0.00 C ATOM 947 O HIS A 86 -8.470 -8.741 -1.767 1.00 0.00 O ATOM 948 CB HIS A 86 -10.392 -6.595 -2.630 1.00 0.00 C ATOM 949 CG HIS A 86 -10.779 -7.565 -3.714 1.00 0.00 C ATOM 950 ND1 HIS A 86 -10.361 -8.880 -3.735 1.00 0.00 N ATOM 951 CD2 HIS A 86 -11.554 -7.402 -4.813 1.00 0.00 C ATOM 952 CE1 HIS A 86 -10.862 -9.483 -4.797 1.00 0.00 C ATOM 953 NE2 HIS A 86 -11.589 -8.609 -5.468 1.00 0.00 N ATOM 0 H HIS A 86 -8.163 -7.416 -4.135 1.00 0.00 H new ATOM 0 HA HIS A 86 -8.687 -5.486 -1.946 1.00 0.00 H new ATOM 0 HB2 HIS A 86 -10.859 -6.909 -1.696 1.00 0.00 H new ATOM 0 HB3 HIS A 86 -10.800 -5.615 -2.876 1.00 0.00 H new ATOM 0 HD1 HIS A 86 -9.759 -9.318 -3.038 1.00 0.00 H new ATOM 0 HD2 HIS A 86 -12.051 -6.493 -5.117 1.00 0.00 H new ATOM 0 HE1 HIS A 86 -10.704 -10.516 -5.070 1.00 0.00 H new ATOM 961 N ALA A 87 -7.867 -7.148 -0.294 1.00 0.00 N ATOM 962 CA ALA A 87 -7.350 -8.105 0.685 1.00 0.00 C ATOM 963 C ALA A 87 -7.737 -7.734 2.118 1.00 0.00 C ATOM 964 O ALA A 87 -8.237 -6.639 2.379 1.00 0.00 O ATOM 965 CB ALA A 87 -5.836 -8.206 0.562 1.00 0.00 C ATOM 0 H ALA A 87 -7.796 -6.171 -0.009 1.00 0.00 H new ATOM 0 HA ALA A 87 -7.803 -9.072 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -5.458 -8.920 1.294 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -5.574 -8.542 -0.441 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -5.390 -7.228 0.745 1.00 0.00 H new ATOM 971 N ASN A 88 -7.498 -8.661 3.042 1.00 0.00 N ATOM 972 CA ASN A 88 -7.807 -8.450 4.455 1.00 0.00 C ATOM 973 C ASN A 88 -6.520 -8.287 5.268 1.00 0.00 C ATOM 974 O ASN A 88 -5.533 -8.981 5.024 1.00 0.00 O ATOM 975 CB ASN A 88 -8.622 -9.625 5.001 1.00 0.00 C ATOM 976 CG ASN A 88 -9.874 -9.179 5.730 1.00 0.00 C ATOM 977 OD1 ASN A 88 -10.979 -9.271 5.203 1.00 0.00 O ATOM 978 ND2 ASN A 88 -9.712 -8.692 6.949 1.00 0.00 N ATOM 0 H ASN A 88 -7.088 -9.572 2.836 1.00 0.00 H new ATOM 0 HA ASN A 88 -8.396 -7.537 4.544 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -8.901 -10.283 4.178 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -8.000 -10.209 5.679 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.521 -8.377 7.484 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -8.778 -8.631 7.354 1.00 0.00 H new ATOM 985 N LEU A 89 -6.536 -7.375 6.235 1.00 0.00 N ATOM 986 CA LEU A 89 -5.362 -7.136 7.072 1.00 0.00 C ATOM 987 C LEU A 89 -5.496 -7.828 8.431 1.00 0.00 C ATOM 988 O LEU A 89 -6.518 -7.699 9.108 1.00 0.00 O ATOM 989 CB LEU A 89 -5.140 -5.633 7.271 1.00 0.00 C ATOM 990 CG LEU A 89 -5.117 -4.797 5.988 1.00 0.00 C ATOM 991 CD1 LEU A 89 -5.065 -3.315 6.317 1.00 0.00 C ATOM 992 CD2 LEU A 89 -3.933 -5.191 5.117 1.00 0.00 C ATOM 0 H LEU A 89 -7.343 -6.792 6.459 1.00 0.00 H new ATOM 0 HA LEU A 89 -4.499 -7.559 6.557 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -5.927 -5.250 7.920 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -4.195 -5.489 7.796 1.00 0.00 H new ATOM 0 HG LEU A 89 -6.034 -4.994 5.433 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -5.049 -2.737 5.393 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -5.943 -3.041 6.901 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -4.165 -3.102 6.894 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -3.932 -4.587 4.210 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -3.006 -5.023 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -4.012 -6.245 4.851 1.00 0.00 H new ATOM 1004 N PRO A 90 -4.470 -8.595 8.836 1.00 0.00 N ATOM 1005 CA PRO A 90 -4.463 -9.297 10.121 1.00 0.00 C ATOM 1006 C PRO A 90 -4.076 -8.380 11.287 1.00 0.00 C ATOM 1007 O PRO A 90 -3.052 -7.698 11.242 1.00 0.00 O ATOM 1008 CB PRO A 90 -3.411 -10.384 9.913 1.00 0.00 C ATOM 1009 CG PRO A 90 -2.458 -9.815 8.913 1.00 0.00 C ATOM 1010 CD PRO A 90 -3.246 -8.857 8.057 1.00 0.00 C ATOM 0 HA PRO A 90 -5.448 -9.681 10.387 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -2.904 -10.627 10.847 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -3.863 -11.306 9.547 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -1.636 -9.302 9.411 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -2.018 -10.605 8.305 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -2.689 -7.939 7.871 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -3.479 -9.291 7.085 1.00 0.00 H new ATOM 1018 N MET A 91 -4.901 -8.371 12.331 1.00 0.00 N ATOM 1019 CA MET A 91 -4.652 -7.533 13.503 1.00 0.00 C ATOM 1020 C MET A 91 -3.394 -7.975 14.258 1.00 0.00 C ATOM 1021 O MET A 91 -3.263 -9.134 14.651 1.00 0.00 O ATOM 1022 CB MET A 91 -5.865 -7.563 14.436 1.00 0.00 C ATOM 1023 CG MET A 91 -5.674 -6.761 15.713 1.00 0.00 C ATOM 1024 SD MET A 91 -5.117 -5.074 15.405 1.00 0.00 S ATOM 1025 CE MET A 91 -4.263 -4.721 16.939 1.00 0.00 C ATOM 0 H MET A 91 -5.749 -8.935 12.390 1.00 0.00 H new ATOM 0 HA MET A 91 -4.488 -6.513 13.155 1.00 0.00 H new ATOM 0 HB2 MET A 91 -6.733 -7.177 13.901 1.00 0.00 H new ATOM 0 HB3 MET A 91 -6.086 -8.598 14.697 1.00 0.00 H new ATOM 0 HG2 MET A 91 -6.615 -6.733 16.263 1.00 0.00 H new ATOM 0 HG3 MET A 91 -4.948 -7.268 16.349 1.00 0.00 H new ATOM 0 HE1 MET A 91 -4.402 -3.672 17.199 1.00 0.00 H new ATOM 0 HE2 MET A 91 -4.667 -5.348 17.733 1.00 0.00 H new ATOM 0 HE3 MET A 91 -3.199 -4.928 16.819 1.00 0.00 H new ATOM 1035 N GLY A 92 -2.471 -7.034 14.451 1.00 0.00 N ATOM 1036 CA GLY A 92 -1.232 -7.328 15.153 1.00 0.00 C ATOM 1037 C GLY A 92 -0.142 -7.860 14.235 1.00 0.00 C ATOM 1038 O GLY A 92 0.946 -8.209 14.693 1.00 0.00 O ATOM 0 H GLY A 92 -2.560 -6.069 14.132 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -0.876 -6.423 15.645 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -1.429 -8.060 15.936 1.00 0.00 H new ATOM 1042 N GLU A 93 -0.432 -7.916 12.938 1.00 0.00 N ATOM 1043 CA GLU A 93 0.524 -8.415 11.954 1.00 0.00 C ATOM 1044 C GLU A 93 0.579 -7.497 10.732 1.00 0.00 C ATOM 1045 O GLU A 93 -0.157 -6.512 10.644 1.00 0.00 O ATOM 1046 CB GLU A 93 0.152 -9.840 11.524 1.00 0.00 C ATOM 1047 CG GLU A 93 0.151 -10.846 12.663 1.00 0.00 C ATOM 1048 CD GLU A 93 -0.322 -12.220 12.230 1.00 0.00 C ATOM 1049 OE1 GLU A 93 -1.542 -12.479 12.303 1.00 0.00 O ATOM 1050 OE2 GLU A 93 0.527 -13.038 11.816 1.00 0.00 O ATOM 0 H GLU A 93 -1.325 -7.621 12.543 1.00 0.00 H new ATOM 0 HA GLU A 93 1.510 -8.430 12.418 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -0.837 -9.824 11.065 1.00 0.00 H new ATOM 0 HB3 GLU A 93 0.853 -10.173 10.759 1.00 0.00 H new ATOM 0 HG2 GLU A 93 1.158 -10.925 13.073 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -0.492 -10.481 13.464 1.00 0.00 H new ATOM 1057 N GLU A 94 1.462 -7.817 9.791 1.00 0.00 N ATOM 1058 CA GLU A 94 1.604 -7.014 8.579 1.00 0.00 C ATOM 1059 C GLU A 94 1.255 -7.821 7.325 1.00 0.00 C ATOM 1060 O GLU A 94 1.692 -8.960 7.157 1.00 0.00 O ATOM 1061 CB GLU A 94 3.028 -6.453 8.472 1.00 0.00 C ATOM 1062 CG GLU A 94 4.120 -7.507 8.583 1.00 0.00 C ATOM 1063 CD GLU A 94 5.399 -6.969 9.195 1.00 0.00 C ATOM 1064 OE1 GLU A 94 5.533 -7.027 10.436 1.00 0.00 O ATOM 1065 OE2 GLU A 94 6.270 -6.498 8.434 1.00 0.00 O ATOM 0 H GLU A 94 2.087 -8.621 9.842 1.00 0.00 H new ATOM 0 HA GLU A 94 0.900 -6.184 8.648 1.00 0.00 H new ATOM 0 HB2 GLU A 94 3.133 -5.936 7.518 1.00 0.00 H new ATOM 0 HB3 GLU A 94 3.174 -5.710 9.256 1.00 0.00 H new ATOM 0 HG2 GLU A 94 3.756 -8.338 9.187 1.00 0.00 H new ATOM 0 HG3 GLU A 94 4.337 -7.904 7.591 1.00 0.00 H new ATOM 1072 N TYR A 95 0.453 -7.219 6.453 1.00 0.00 N ATOM 1073 CA TYR A 95 0.043 -7.861 5.207 1.00 0.00 C ATOM 1074 C TYR A 95 0.640 -7.123 4.012 1.00 0.00 C ATOM 1075 O TYR A 95 0.461 -5.914 3.869 1.00 0.00 O ATOM 1076 CB TYR A 95 -1.483 -7.891 5.097 1.00 0.00 C ATOM 1077 CG TYR A 95 -2.007 -8.978 4.186 1.00 0.00 C ATOM 1078 CD1 TYR A 95 -2.165 -10.279 4.646 1.00 0.00 C ATOM 1079 CD2 TYR A 95 -2.343 -8.702 2.867 1.00 0.00 C ATOM 1080 CE1 TYR A 95 -2.644 -11.274 3.818 1.00 0.00 C ATOM 1081 CE2 TYR A 95 -2.824 -9.693 2.031 1.00 0.00 C ATOM 1082 CZ TYR A 95 -2.972 -10.977 2.512 1.00 0.00 C ATOM 1083 OH TYR A 95 -3.449 -11.967 1.682 1.00 0.00 O ATOM 0 H TYR A 95 0.072 -6.282 6.587 1.00 0.00 H new ATOM 0 HA TYR A 95 0.412 -8.887 5.209 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -1.907 -8.028 6.092 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -1.831 -6.925 4.732 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -1.909 -10.516 5.668 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -2.227 -7.697 2.488 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -2.761 -12.281 4.191 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -3.082 -9.463 1.008 1.00 0.00 H new ATOM 0 HH TYR A 95 -3.633 -11.591 0.796 1.00 0.00 H new ATOM 1093 N VAL A 96 1.345 -7.847 3.157 1.00 0.00 N ATOM 1094 CA VAL A 96 1.974 -7.234 1.992 1.00 0.00 C ATOM 1095 C VAL A 96 1.135 -7.408 0.716 1.00 0.00 C ATOM 1096 O VAL A 96 0.589 -8.477 0.441 1.00 0.00 O ATOM 1097 CB VAL A 96 3.414 -7.775 1.780 1.00 0.00 C ATOM 1098 CG1 VAL A 96 3.428 -9.090 1.013 1.00 0.00 C ATOM 1099 CG2 VAL A 96 4.271 -6.737 1.074 1.00 0.00 C ATOM 0 H VAL A 96 1.497 -8.852 3.244 1.00 0.00 H new ATOM 0 HA VAL A 96 2.034 -6.165 2.196 1.00 0.00 H new ATOM 0 HB VAL A 96 3.834 -7.974 2.766 1.00 0.00 H new ATOM 0 HG11 VAL A 96 4.457 -9.428 0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 96 2.863 -9.840 1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 96 2.974 -8.944 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 96 5.277 -7.131 0.933 1.00 0.00 H new ATOM 0 HG22 VAL A 96 3.833 -6.503 0.104 1.00 0.00 H new ATOM 0 HG23 VAL A 96 4.318 -5.831 1.679 1.00 0.00 H new ATOM 1109 N VAL A 97 1.010 -6.318 -0.038 1.00 0.00 N ATOM 1110 CA VAL A 97 0.264 -6.320 -1.293 1.00 0.00 C ATOM 1111 C VAL A 97 1.213 -6.108 -2.471 1.00 0.00 C ATOM 1112 O VAL A 97 1.805 -5.040 -2.620 1.00 0.00 O ATOM 1113 CB VAL A 97 -0.829 -5.224 -1.306 1.00 0.00 C ATOM 1114 CG1 VAL A 97 -1.454 -5.083 -2.689 1.00 0.00 C ATOM 1115 CG2 VAL A 97 -1.898 -5.530 -0.268 1.00 0.00 C ATOM 0 H VAL A 97 1.420 -5.415 0.202 1.00 0.00 H new ATOM 0 HA VAL A 97 -0.224 -7.291 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 97 -0.356 -4.275 -1.054 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -2.218 -4.306 -2.666 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -0.683 -4.813 -3.411 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -1.909 -6.030 -2.981 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -2.659 -4.750 -0.289 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -2.358 -6.493 -0.492 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -1.444 -5.567 0.722 1.00 0.00 H new ATOM 1125 N GLU A 98 1.361 -7.135 -3.300 1.00 0.00 N ATOM 1126 CA GLU A 98 2.252 -7.062 -4.457 1.00 0.00 C ATOM 1127 C GLU A 98 1.500 -6.634 -5.718 1.00 0.00 C ATOM 1128 O GLU A 98 0.567 -7.305 -6.159 1.00 0.00 O ATOM 1129 CB GLU A 98 2.933 -8.414 -4.686 1.00 0.00 C ATOM 1130 CG GLU A 98 4.282 -8.536 -3.995 1.00 0.00 C ATOM 1131 CD GLU A 98 4.647 -9.970 -3.660 1.00 0.00 C ATOM 1132 OE1 GLU A 98 4.305 -10.874 -4.453 1.00 0.00 O ATOM 1133 OE2 GLU A 98 5.280 -10.189 -2.606 1.00 0.00 O ATOM 0 H GLU A 98 0.878 -8.027 -3.195 1.00 0.00 H new ATOM 0 HA GLU A 98 3.010 -6.308 -4.246 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.277 -9.208 -4.329 1.00 0.00 H new ATOM 0 HB3 GLU A 98 3.066 -8.568 -5.757 1.00 0.00 H new ATOM 0 HG2 GLU A 98 5.053 -8.111 -4.637 1.00 0.00 H new ATOM 0 HG3 GLU A 98 4.270 -7.946 -3.079 1.00 0.00 H new ATOM 1140 N ILE A 99 1.918 -5.509 -6.294 1.00 0.00 N ATOM 1141 CA ILE A 99 1.295 -4.979 -7.507 1.00 0.00 C ATOM 1142 C ILE A 99 2.350 -4.500 -8.504 1.00 0.00 C ATOM 1143 O ILE A 99 3.478 -4.177 -8.128 1.00 0.00 O ATOM 1144 CB ILE A 99 0.328 -3.811 -7.198 1.00 0.00 C ATOM 1145 CG1 ILE A 99 0.753 -3.073 -5.922 1.00 0.00 C ATOM 1146 CG2 ILE A 99 -1.098 -4.326 -7.068 1.00 0.00 C ATOM 1147 CD1 ILE A 99 -0.013 -1.791 -5.678 1.00 0.00 C ATOM 0 H ILE A 99 2.689 -4.944 -5.939 1.00 0.00 H new ATOM 0 HA ILE A 99 0.725 -5.799 -7.944 1.00 0.00 H new ATOM 0 HB ILE A 99 0.369 -3.104 -8.027 1.00 0.00 H new ATOM 0 HG12 ILE A 99 0.617 -3.736 -5.067 1.00 0.00 H new ATOM 0 HG13 ILE A 99 1.817 -2.844 -5.982 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -1.767 -3.493 -6.851 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.400 -4.800 -8.002 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.150 -5.054 -6.258 1.00 0.00 H new ATOM 0 HD11 ILE A 99 0.342 -1.325 -4.759 1.00 0.00 H new ATOM 0 HD12 ILE A 99 0.143 -1.109 -6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -1.076 -2.014 -5.585 1.00 0.00 H new ATOM 1159 N THR A 100 1.978 -4.458 -9.777 1.00 0.00 N ATOM 1160 CA THR A 100 2.897 -4.020 -10.826 1.00 0.00 C ATOM 1161 C THR A 100 2.356 -2.799 -11.569 1.00 0.00 C ATOM 1162 O THR A 100 1.535 -2.928 -12.479 1.00 0.00 O ATOM 1163 CB THR A 100 3.170 -5.147 -11.844 1.00 0.00 C ATOM 1164 OG1 THR A 100 3.326 -6.400 -11.167 1.00 0.00 O ATOM 1165 CG2 THR A 100 4.420 -4.850 -12.660 1.00 0.00 C ATOM 0 H THR A 100 1.050 -4.720 -10.110 1.00 0.00 H new ATOM 0 HA THR A 100 3.830 -3.752 -10.330 1.00 0.00 H new ATOM 0 HB THR A 100 2.316 -5.205 -12.519 1.00 0.00 H new ATOM 0 HG1 THR A 100 3.497 -7.107 -11.823 1.00 0.00 H new ATOM 0 HG21 THR A 100 4.591 -5.659 -13.370 1.00 0.00 H new ATOM 0 HG22 THR A 100 4.287 -3.913 -13.202 1.00 0.00 H new ATOM 0 HG23 THR A 100 5.278 -4.765 -11.993 1.00 0.00 H new ATOM 1173 N PRO A 101 2.814 -1.592 -11.187 1.00 0.00 N ATOM 1174 CA PRO A 101 2.380 -0.339 -11.823 1.00 0.00 C ATOM 1175 C PRO A 101 2.935 -0.175 -13.239 1.00 0.00 C ATOM 1176 O PRO A 101 4.076 0.246 -13.431 1.00 0.00 O ATOM 1177 CB PRO A 101 2.945 0.739 -10.893 1.00 0.00 C ATOM 1178 CG PRO A 101 4.131 0.100 -10.257 1.00 0.00 C ATOM 1179 CD PRO A 101 3.782 -1.351 -10.101 1.00 0.00 C ATOM 0 HA PRO A 101 1.298 -0.296 -11.943 1.00 0.00 H new ATOM 0 HB2 PRO A 101 3.226 1.634 -11.448 1.00 0.00 H new ATOM 0 HB3 PRO A 101 2.211 1.044 -10.147 1.00 0.00 H new ATOM 0 HG2 PRO A 101 5.020 0.224 -10.876 1.00 0.00 H new ATOM 0 HG3 PRO A 101 4.349 0.555 -9.291 1.00 0.00 H new ATOM 0 HD2 PRO A 101 4.661 -1.988 -10.199 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.347 -1.556 -9.123 1.00 0.00 H new ATOM 1187 N GLU A 102 2.121 -0.507 -14.236 1.00 0.00 N ATOM 1188 CA GLU A 102 2.538 -0.397 -15.635 1.00 0.00 C ATOM 1189 C GLU A 102 2.040 0.906 -16.268 1.00 0.00 C ATOM 1190 O GLU A 102 1.909 1.009 -17.489 1.00 0.00 O ATOM 1191 CB GLU A 102 2.027 -1.601 -16.434 1.00 0.00 C ATOM 1192 CG GLU A 102 2.630 -2.927 -15.993 1.00 0.00 C ATOM 1193 CD GLU A 102 1.585 -4.008 -15.773 1.00 0.00 C ATOM 1194 OE1 GLU A 102 0.384 -3.725 -15.974 1.00 0.00 O ATOM 1195 OE2 GLU A 102 1.969 -5.137 -15.401 1.00 0.00 O ATOM 0 H GLU A 102 1.171 -0.854 -14.105 1.00 0.00 H new ATOM 0 HA GLU A 102 3.628 -0.385 -15.659 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.943 -1.655 -16.339 1.00 0.00 H new ATOM 0 HB3 GLU A 102 2.247 -1.445 -17.490 1.00 0.00 H new ATOM 0 HG2 GLU A 102 3.342 -3.265 -16.746 1.00 0.00 H new ATOM 0 HG3 GLU A 102 3.190 -2.777 -15.070 1.00 0.00 H new ATOM 1202 N GLN A 103 1.759 1.896 -15.427 1.00 0.00 N ATOM 1203 CA GLN A 103 1.282 3.196 -15.888 1.00 0.00 C ATOM 1204 C GLN A 103 1.720 4.299 -14.927 1.00 0.00 C ATOM 1205 O GLN A 103 1.553 4.176 -13.715 1.00 0.00 O ATOM 1206 CB GLN A 103 -0.245 3.187 -16.017 1.00 0.00 C ATOM 1207 CG GLN A 103 -0.740 3.478 -17.426 1.00 0.00 C ATOM 1208 CD GLN A 103 -1.493 2.310 -18.036 1.00 0.00 C ATOM 1209 OE1 GLN A 103 -2.705 2.363 -18.216 1.00 0.00 O ATOM 1210 NE2 GLN A 103 -0.776 1.246 -18.358 1.00 0.00 N ATOM 0 H GLN A 103 1.854 1.822 -14.414 1.00 0.00 H new ATOM 0 HA GLN A 103 1.717 3.394 -16.867 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -0.622 2.214 -15.702 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -0.663 3.927 -15.334 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -1.390 4.353 -17.405 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.110 3.728 -18.061 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.230 1.240 -18.193 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -1.230 0.431 -18.772 1.00 0.00 H new ATOM 1219 N ALA A 104 2.285 5.370 -15.470 1.00 0.00 N ATOM 1220 CA ALA A 104 2.746 6.486 -14.650 1.00 0.00 C ATOM 1221 C ALA A 104 1.632 7.503 -14.416 1.00 0.00 C ATOM 1222 O ALA A 104 1.004 7.985 -15.358 1.00 0.00 O ATOM 1223 CB ALA A 104 3.952 7.155 -15.294 1.00 0.00 C ATOM 0 H ALA A 104 2.435 5.491 -16.472 1.00 0.00 H new ATOM 0 HA ALA A 104 3.042 6.088 -13.679 1.00 0.00 H new ATOM 0 HB1 ALA A 104 4.284 7.985 -14.670 1.00 0.00 H new ATOM 0 HB2 ALA A 104 4.760 6.430 -15.393 1.00 0.00 H new ATOM 0 HB3 ALA A 104 3.677 7.529 -16.280 1.00 0.00 H new ATOM 1229 N GLY A 105 1.395 7.825 -13.150 1.00 0.00 N ATOM 1230 CA GLY A 105 0.358 8.778 -12.804 1.00 0.00 C ATOM 1231 C GLY A 105 -0.003 8.742 -11.330 1.00 0.00 C ATOM 1232 O GLY A 105 0.791 8.295 -10.499 1.00 0.00 O ATOM 0 H GLY A 105 1.905 7.441 -12.354 1.00 0.00 H new ATOM 0 HA2 GLY A 105 0.690 9.782 -13.068 1.00 0.00 H new ATOM 0 HA3 GLY A 105 -0.533 8.571 -13.397 1.00 0.00 H new ATOM 1236 N GLU A 106 -1.204 9.210 -11.007 1.00 0.00 N ATOM 1237 CA GLU A 106 -1.673 9.234 -9.625 1.00 0.00 C ATOM 1238 C GLU A 106 -2.640 8.083 -9.340 1.00 0.00 C ATOM 1239 O GLU A 106 -3.640 7.902 -10.038 1.00 0.00 O ATOM 1240 CB GLU A 106 -2.348 10.571 -9.315 1.00 0.00 C ATOM 1241 CG GLU A 106 -1.695 11.333 -8.171 1.00 0.00 C ATOM 1242 CD GLU A 106 -2.218 12.749 -8.037 1.00 0.00 C ATOM 1243 OE1 GLU A 106 -1.961 13.566 -8.947 1.00 0.00 O ATOM 1244 OE2 GLU A 106 -2.886 13.044 -7.021 1.00 0.00 O ATOM 0 H GLU A 106 -1.872 9.579 -11.684 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.803 9.112 -8.980 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.332 11.193 -10.210 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -3.395 10.392 -9.070 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -1.867 10.797 -7.238 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -0.617 11.362 -8.328 1.00 0.00 H new ATOM 1251 N PHE A 107 -2.328 7.312 -8.308 1.00 0.00 N ATOM 1252 CA PHE A 107 -3.149 6.176 -7.898 1.00 0.00 C ATOM 1253 C PHE A 107 -3.644 6.385 -6.464 1.00 0.00 C ATOM 1254 O PHE A 107 -3.212 7.318 -5.787 1.00 0.00 O ATOM 1255 CB PHE A 107 -2.343 4.877 -8.006 1.00 0.00 C ATOM 1256 CG PHE A 107 -2.038 4.475 -9.422 1.00 0.00 C ATOM 1257 CD1 PHE A 107 -0.922 4.972 -10.073 1.00 0.00 C ATOM 1258 CD2 PHE A 107 -2.870 3.605 -10.102 1.00 0.00 C ATOM 1259 CE1 PHE A 107 -0.641 4.608 -11.375 1.00 0.00 C ATOM 1260 CE2 PHE A 107 -2.595 3.233 -11.405 1.00 0.00 C ATOM 1261 CZ PHE A 107 -1.480 3.736 -12.043 1.00 0.00 C ATOM 0 H PHE A 107 -1.500 7.454 -7.730 1.00 0.00 H new ATOM 0 HA PHE A 107 -4.013 6.101 -8.559 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.407 4.994 -7.460 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -2.897 4.074 -7.520 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -0.263 5.653 -9.556 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -3.746 3.211 -9.609 1.00 0.00 H new ATOM 0 HE1 PHE A 107 0.233 5.004 -11.871 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -3.252 2.550 -11.923 1.00 0.00 H new ATOM 0 HZ PHE A 107 -1.263 3.449 -13.061 1.00 0.00 H new ATOM 1271 N SER A 108 -4.540 5.523 -5.990 1.00 0.00 N ATOM 1272 CA SER A 108 -5.074 5.670 -4.636 1.00 0.00 C ATOM 1273 C SER A 108 -5.633 4.360 -4.085 1.00 0.00 C ATOM 1274 O SER A 108 -5.930 3.427 -4.834 1.00 0.00 O ATOM 1275 CB SER A 108 -6.180 6.731 -4.625 1.00 0.00 C ATOM 1276 OG SER A 108 -7.323 6.286 -5.336 1.00 0.00 O ATOM 0 H SER A 108 -4.908 4.728 -6.512 1.00 0.00 H new ATOM 0 HA SER A 108 -4.246 5.975 -3.997 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.456 6.962 -3.596 1.00 0.00 H new ATOM 0 HB3 SER A 108 -5.807 7.653 -5.070 1.00 0.00 H new ATOM 0 HG SER A 108 -7.040 5.806 -6.143 1.00 0.00 H new ATOM 1282 N PHE A 109 -5.759 4.304 -2.761 1.00 0.00 N ATOM 1283 CA PHE A 109 -6.305 3.131 -2.074 1.00 0.00 C ATOM 1284 C PHE A 109 -7.141 3.559 -0.864 1.00 0.00 C ATOM 1285 O PHE A 109 -6.779 4.497 -0.148 1.00 0.00 O ATOM 1286 CB PHE A 109 -5.190 2.160 -1.648 1.00 0.00 C ATOM 1287 CG PHE A 109 -4.055 2.786 -0.878 1.00 0.00 C ATOM 1288 CD1 PHE A 109 -2.992 3.381 -1.540 1.00 0.00 C ATOM 1289 CD2 PHE A 109 -4.044 2.761 0.509 1.00 0.00 C ATOM 1290 CE1 PHE A 109 -1.944 3.941 -0.836 1.00 0.00 C ATOM 1291 CE2 PHE A 109 -2.995 3.317 1.218 1.00 0.00 C ATOM 1292 CZ PHE A 109 -1.945 3.910 0.545 1.00 0.00 C ATOM 0 H PHE A 109 -5.488 5.063 -2.136 1.00 0.00 H new ATOM 0 HA PHE A 109 -6.952 2.604 -2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -5.630 1.371 -1.038 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -4.784 1.684 -2.540 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.983 3.407 -2.620 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -4.864 2.302 1.041 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -1.124 4.403 -1.365 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -2.997 3.287 2.298 1.00 0.00 H new ATOM 0 HZ PHE A 109 -1.127 4.348 1.097 1.00 0.00 H new ATOM 1302 N ALA A 110 -8.263 2.873 -0.645 1.00 0.00 N ATOM 1303 CA ALA A 110 -9.155 3.199 0.470 1.00 0.00 C ATOM 1304 C ALA A 110 -10.030 2.007 0.860 1.00 0.00 C ATOM 1305 O ALA A 110 -9.964 0.949 0.237 1.00 0.00 O ATOM 1306 CB ALA A 110 -10.039 4.384 0.102 1.00 0.00 C ATOM 0 H ALA A 110 -8.576 2.092 -1.221 1.00 0.00 H new ATOM 0 HA ALA A 110 -8.532 3.456 1.327 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -10.699 4.619 0.937 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -9.414 5.249 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -10.638 4.133 -0.774 1.00 0.00 H new ATOM 1419 N LYS A 119 -2.745 7.663 -0.986 1.00 0.00 N ATOM 1420 CA LYS A 119 -2.459 8.030 -2.371 1.00 0.00 C ATOM 1421 C LYS A 119 -1.122 7.448 -2.830 1.00 0.00 C ATOM 1422 O LYS A 119 -0.207 7.259 -2.029 1.00 0.00 O ATOM 1423 CB LYS A 119 -2.448 9.555 -2.519 1.00 0.00 C ATOM 1424 CG LYS A 119 -2.804 10.039 -3.919 1.00 0.00 C ATOM 1425 CD LYS A 119 -3.913 11.080 -3.887 1.00 0.00 C ATOM 1426 CE LYS A 119 -3.374 12.466 -3.567 1.00 0.00 C ATOM 1427 NZ LYS A 119 -3.862 13.487 -4.536 1.00 0.00 N ATOM 0 HA LYS A 119 -3.244 7.614 -3.002 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -3.151 9.985 -1.806 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -1.459 9.929 -2.256 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -1.919 10.464 -4.394 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -3.117 9.192 -4.529 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -4.421 11.101 -4.851 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -4.656 10.797 -3.141 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -3.675 12.749 -2.558 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -2.284 12.444 -3.580 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -3.833 14.428 -4.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -3.255 13.483 -5.380 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -4.840 13.264 -4.812 1.00 0.00 H new ATOM 1441 N MET A 120 -1.018 7.159 -4.120 1.00 0.00 N ATOM 1442 CA MET A 120 0.209 6.600 -4.686 1.00 0.00 C ATOM 1443 C MET A 120 0.614 7.342 -5.961 1.00 0.00 C ATOM 1444 O MET A 120 -0.234 7.702 -6.774 1.00 0.00 O ATOM 1445 CB MET A 120 0.017 5.110 -4.982 1.00 0.00 C ATOM 1446 CG MET A 120 1.247 4.437 -5.571 1.00 0.00 C ATOM 1447 SD MET A 120 0.848 3.342 -6.945 1.00 0.00 S ATOM 1448 CE MET A 120 0.420 1.844 -6.066 1.00 0.00 C ATOM 0 H MET A 120 -1.767 7.301 -4.797 1.00 0.00 H new ATOM 0 HA MET A 120 1.009 6.721 -3.955 1.00 0.00 H new ATOM 0 HB2 MET A 120 -0.259 4.599 -4.060 1.00 0.00 H new ATOM 0 HB3 MET A 120 -0.817 4.991 -5.674 1.00 0.00 H new ATOM 0 HG2 MET A 120 1.946 5.201 -5.911 1.00 0.00 H new ATOM 0 HG3 MET A 120 1.752 3.867 -4.792 1.00 0.00 H new ATOM 0 HE1 MET A 120 0.822 0.982 -6.599 1.00 0.00 H new ATOM 0 HE2 MET A 120 0.842 1.878 -5.061 1.00 0.00 H new ATOM 0 HE3 MET A 120 -0.665 1.757 -6.001 1.00 0.00 H new ATOM 1458 N ILE A 121 1.908 7.576 -6.132 1.00 0.00 N ATOM 1459 CA ILE A 121 2.405 8.265 -7.321 1.00 0.00 C ATOM 1460 C ILE A 121 3.461 7.422 -8.036 1.00 0.00 C ATOM 1461 O ILE A 121 4.509 7.101 -7.470 1.00 0.00 O ATOM 1462 CB ILE A 121 2.993 9.657 -6.980 1.00 0.00 C ATOM 1463 CG1 ILE A 121 1.901 10.578 -6.426 1.00 0.00 C ATOM 1464 CG2 ILE A 121 3.629 10.287 -8.211 1.00 0.00 C ATOM 1465 CD1 ILE A 121 1.912 10.696 -4.919 1.00 0.00 C ATOM 0 H ILE A 121 2.632 7.301 -5.468 1.00 0.00 H new ATOM 0 HA ILE A 121 1.551 8.410 -7.983 1.00 0.00 H new ATOM 0 HB ILE A 121 3.762 9.524 -6.219 1.00 0.00 H new ATOM 0 HG12 ILE A 121 2.021 11.571 -6.860 1.00 0.00 H new ATOM 0 HG13 ILE A 121 0.928 10.206 -6.745 1.00 0.00 H new ATOM 0 HG21 ILE A 121 4.036 11.264 -7.951 1.00 0.00 H new ATOM 0 HG22 ILE A 121 4.431 9.645 -8.575 1.00 0.00 H new ATOM 0 HG23 ILE A 121 2.876 10.404 -8.990 1.00 0.00 H new ATOM 0 HD11 ILE A 121 1.112 11.364 -4.600 1.00 0.00 H new ATOM 0 HD12 ILE A 121 1.761 9.712 -4.476 1.00 0.00 H new ATOM 0 HD13 ILE A 121 2.871 11.098 -4.592 1.00 0.00 H new ATOM 1477 N VAL A 122 3.172 7.059 -9.282 1.00 0.00 N ATOM 1478 CA VAL A 122 4.091 6.251 -10.078 1.00 0.00 C ATOM 1479 C VAL A 122 4.885 7.122 -11.054 1.00 0.00 C ATOM 1480 O VAL A 122 4.307 7.856 -11.858 1.00 0.00 O ATOM 1481 CB VAL A 122 3.333 5.150 -10.853 1.00 0.00 C ATOM 1482 CG1 VAL A 122 4.280 4.344 -11.727 1.00 0.00 C ATOM 1483 CG2 VAL A 122 2.591 4.238 -9.888 1.00 0.00 C ATOM 0 H VAL A 122 2.309 7.311 -9.763 1.00 0.00 H new ATOM 0 HA VAL A 122 4.789 5.775 -9.389 1.00 0.00 H new ATOM 0 HB VAL A 122 2.606 5.635 -11.505 1.00 0.00 H new ATOM 0 HG11 VAL A 122 3.719 3.577 -12.260 1.00 0.00 H new ATOM 0 HG12 VAL A 122 4.764 5.005 -12.446 1.00 0.00 H new ATOM 0 HG13 VAL A 122 5.038 3.871 -11.102 1.00 0.00 H new ATOM 0 HG21 VAL A 122 2.062 3.468 -10.449 1.00 0.00 H new ATOM 0 HG22 VAL A 122 3.304 3.768 -9.210 1.00 0.00 H new ATOM 0 HG23 VAL A 122 1.875 4.824 -9.312 1.00 0.00 H new ATOM 1493 N GLU A 123 6.215 7.040 -10.966 1.00 0.00 N ATOM 1494 CA GLU A 123 7.117 7.821 -11.826 1.00 0.00 C ATOM 1495 C GLU A 123 6.766 9.313 -11.820 1.00 0.00 C ATOM 1496 O GLU A 123 7.702 10.140 -11.894 1.00 0.00 O ATOM 1497 CB GLU A 123 7.091 7.284 -13.261 1.00 0.00 C ATOM 1498 CG GLU A 123 8.451 7.290 -13.944 1.00 0.00 C ATOM 1499 CD GLU A 123 8.802 5.947 -14.558 1.00 0.00 C ATOM 1500 OE1 GLU A 123 9.383 5.101 -13.843 1.00 0.00 O ATOM 1501 OE2 GLU A 123 8.487 5.737 -15.751 1.00 0.00 O ATOM 0 H GLU A 123 6.698 6.435 -10.302 1.00 0.00 H new ATOM 0 HA GLU A 123 8.122 7.713 -11.419 1.00 0.00 H new ATOM 0 HB2 GLU A 123 6.705 6.265 -13.251 1.00 0.00 H new ATOM 0 HB3 GLU A 123 6.396 7.882 -13.850 1.00 0.00 H new ATOM 0 HG2 GLU A 123 8.460 8.054 -14.721 1.00 0.00 H new ATOM 0 HG3 GLU A 123 9.217 7.565 -13.218 1.00 0.00 H new