USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 660 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 31 ASN : amide:sc= -3.82 K(o=-3.8,f=-4.5!) USER MOD Set 1.2: A 91 GLN : amide:sc=0.000231 K(o=-3.8,f=-4.5) USER MOD Set 2.1: A 24 THR OG1 : rot 180:sc= 0.506 USER MOD Set 2.2: A 98 THR OG1 : rot -88:sc= 0.559 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -1.47 X(o=-1.5,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ -114:sc= -3.38! (180deg=-5.54!) USER MOD Single : A 30 GLN : amide:sc= -1.18 X(o=-1.2,f=-1.1) USER MOD Single : A 36 SER OG : rot 170:sc= -0.51 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -1.67 K(o=-1.7,f=-0.31) USER MOD Single : A 56 THR OG1 : rot -127:sc= 0.853 USER MOD Single : A 63 THR OG1 : rot -140:sc= -0.404 USER MOD Single : A 71 THR OG1 : rot -56:sc= 1.07 USER MOD Single : A 74 ASN : amide:sc= -0.483 K(o=-0.48,f=-2.4!) USER MOD Single : A 77 SER OG : rot 180:sc= 0.0138 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -157:sc= 0.671 (180deg=0.24) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -126:sc= 0.0185 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 MET CE :methyl -153:sc= -1.88! (180deg=-4.24!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= -1.22 K(o=-1.2,f=-0.55) USER MOD Single : A 101 TYR OH : rot 30:sc= -0.167 USER MOD Single : A 102 ASN : amide:sc= -1.63 K(o=-1.6,f=-4.1!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 122 SER OG : rot 120:sc= -0.0157 USER MOD Single : B 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 19 -0.149 -5.393 -9.011 1.00 0.00 N ATOM 16 CA VAL A 19 -0.404 -4.133 -9.698 1.00 0.00 C ATOM 17 C VAL A 19 0.517 -3.029 -9.182 1.00 0.00 C ATOM 18 O VAL A 19 0.184 -2.327 -8.228 1.00 0.00 O ATOM 19 CB VAL A 19 -1.867 -3.685 -9.526 1.00 0.00 C ATOM 20 CG1 VAL A 19 -2.164 -2.480 -10.405 1.00 0.00 C ATOM 21 CG2 VAL A 19 -2.816 -4.830 -9.842 1.00 0.00 C ATOM 0 HA VAL A 19 -0.206 -4.305 -10.756 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.018 -3.393 -8.487 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.203 -2.178 -10.270 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -1.507 -1.656 -10.127 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -1.995 -2.741 -11.450 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.845 -4.495 -9.715 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -2.664 -5.155 -10.871 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.619 -5.662 -9.166 1.00 0.00 H new ATOM 31 N PRO A 20 1.694 -2.862 -9.811 1.00 0.00 N ATOM 32 CA PRO A 20 2.664 -1.836 -9.410 1.00 0.00 C ATOM 33 C PRO A 20 2.035 -0.451 -9.306 1.00 0.00 C ATOM 34 O PRO A 20 1.708 0.171 -10.316 1.00 0.00 O ATOM 35 CB PRO A 20 3.701 -1.868 -10.535 1.00 0.00 C ATOM 36 CG PRO A 20 3.612 -3.248 -11.090 1.00 0.00 C ATOM 37 CD PRO A 20 2.172 -3.656 -10.959 1.00 0.00 C ATOM 0 HA PRO A 20 3.080 -2.034 -8.422 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.482 -1.120 -11.297 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.702 -1.656 -10.158 1.00 0.00 H new ATOM 0 HG2 PRO A 20 3.930 -3.270 -12.132 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.262 -3.931 -10.543 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.607 -3.433 -11.864 1.00 0.00 H new ATOM 0 HD3 PRO A 20 2.073 -4.726 -10.777 1.00 0.00 H new ATOM 45 N GLY A 21 1.867 0.026 -8.077 1.00 0.00 N ATOM 46 CA GLY A 21 1.278 1.335 -7.861 1.00 0.00 C ATOM 47 C GLY A 21 2.116 2.204 -6.946 1.00 0.00 C ATOM 48 O GLY A 21 2.883 1.697 -6.126 1.00 0.00 O ATOM 0 H GLY A 21 2.129 -0.471 -7.226 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.154 1.837 -8.821 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.283 1.216 -7.433 1.00 0.00 H new ATOM 52 N LYS A 22 1.971 3.518 -7.084 1.00 0.00 N ATOM 53 CA LYS A 22 2.722 4.461 -6.263 1.00 0.00 C ATOM 54 C LYS A 22 1.839 5.626 -5.828 1.00 0.00 C ATOM 55 O LYS A 22 1.090 6.183 -6.630 1.00 0.00 O ATOM 56 CB LYS A 22 3.937 4.984 -7.029 1.00 0.00 C ATOM 57 CG LYS A 22 3.611 5.459 -8.436 1.00 0.00 C ATOM 58 CD LYS A 22 3.238 6.935 -8.456 1.00 0.00 C ATOM 59 CE LYS A 22 4.061 7.706 -9.476 1.00 0.00 C ATOM 60 NZ LYS A 22 4.163 9.150 -9.130 1.00 0.00 N ATOM 0 H LYS A 22 1.340 3.954 -7.757 1.00 0.00 H new ATOM 0 HA LYS A 22 3.064 3.935 -5.372 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.381 5.808 -6.470 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.688 4.196 -7.085 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.470 5.291 -9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.787 4.869 -8.838 1.00 0.00 H new ATOM 0 HD2 LYS A 22 2.178 7.040 -8.688 1.00 0.00 H new ATOM 0 HD3 LYS A 22 3.391 7.363 -7.465 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.061 7.276 -9.536 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.609 7.600 -10.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.732 9.640 -9.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.211 9.567 -9.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.618 9.253 -8.200 1.00 0.00 H new ATOM 74 N VAL A 23 1.934 5.991 -4.553 1.00 0.00 N ATOM 75 CA VAL A 23 1.143 7.091 -4.012 1.00 0.00 C ATOM 76 C VAL A 23 2.033 8.117 -3.319 1.00 0.00 C ATOM 77 O VAL A 23 2.977 7.761 -2.612 1.00 0.00 O ATOM 78 CB VAL A 23 0.083 6.583 -3.015 1.00 0.00 C ATOM 79 CG1 VAL A 23 0.742 5.869 -1.845 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.789 7.729 -2.527 1.00 0.00 C ATOM 0 H VAL A 23 2.550 5.542 -3.876 1.00 0.00 H new ATOM 0 HA VAL A 23 0.638 7.564 -4.854 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.556 5.867 -3.532 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -0.025 5.519 -1.154 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.314 5.018 -2.214 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.410 6.558 -1.328 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.530 7.348 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -0.167 8.474 -2.030 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.296 8.188 -3.376 1.00 0.00 H new ATOM 90 N THR A 24 1.726 9.394 -3.525 1.00 0.00 N ATOM 91 CA THR A 24 2.496 10.474 -2.921 1.00 0.00 C ATOM 92 C THR A 24 1.797 11.010 -1.676 1.00 0.00 C ATOM 93 O THR A 24 0.944 11.894 -1.761 1.00 0.00 O ATOM 94 CB THR A 24 2.705 11.606 -3.927 1.00 0.00 C ATOM 95 OG1 THR A 24 3.281 11.114 -5.124 1.00 0.00 O ATOM 96 CG2 THR A 24 3.598 12.712 -3.409 1.00 0.00 C ATOM 0 H THR A 24 0.948 9.706 -4.107 1.00 0.00 H new ATOM 0 HA THR A 24 3.467 10.073 -2.629 1.00 0.00 H new ATOM 0 HB THR A 24 1.712 12.018 -4.106 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.405 11.853 -5.755 1.00 0.00 H new ATOM 0 HG21 THR A 24 3.704 13.482 -4.173 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.155 13.148 -2.513 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.579 12.304 -3.167 1.00 0.00 H new ATOM 104 N LEU A 25 2.164 10.470 -0.518 1.00 0.00 N ATOM 105 CA LEU A 25 1.573 10.894 0.744 1.00 0.00 C ATOM 106 C LEU A 25 2.427 11.967 1.413 1.00 0.00 C ATOM 107 O LEU A 25 3.655 11.886 1.410 1.00 0.00 O ATOM 108 CB LEU A 25 1.408 9.697 1.684 1.00 0.00 C ATOM 109 CG LEU A 25 0.805 8.448 1.039 1.00 0.00 C ATOM 110 CD1 LEU A 25 1.401 7.189 1.652 1.00 0.00 C ATOM 111 CD2 LEU A 25 -0.709 8.451 1.190 1.00 0.00 C ATOM 0 H LEU A 25 2.868 9.738 -0.429 1.00 0.00 H new ATOM 0 HA LEU A 25 0.591 11.317 0.531 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.384 9.440 2.096 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.777 9.996 2.521 1.00 0.00 H new ATOM 0 HG LEU A 25 1.046 8.458 -0.024 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.960 6.311 1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.479 7.183 1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.191 7.171 2.721 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -1.123 7.556 0.726 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.969 8.464 2.248 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.121 9.335 0.704 1.00 0.00 H new ATOM 123 N GLN A 26 1.769 12.969 1.985 1.00 0.00 N ATOM 124 CA GLN A 26 2.468 14.058 2.657 1.00 0.00 C ATOM 125 C GLN A 26 2.820 13.674 4.092 1.00 0.00 C ATOM 126 O GLN A 26 1.982 13.158 4.829 1.00 0.00 O ATOM 127 CB GLN A 26 1.608 15.323 2.653 1.00 0.00 C ATOM 128 CG GLN A 26 1.398 15.912 1.267 1.00 0.00 C ATOM 129 CD GLN A 26 2.112 17.237 1.081 1.00 0.00 C ATOM 130 OE1 GLN A 26 2.279 18.003 2.029 1.00 0.00 O ATOM 131 NE2 GLN A 26 2.538 17.513 -0.147 1.00 0.00 N ATOM 0 H GLN A 26 0.752 13.050 1.997 1.00 0.00 H new ATOM 0 HA GLN A 26 3.393 14.253 2.114 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.637 15.094 3.092 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.077 16.073 3.290 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.753 15.204 0.518 1.00 0.00 H new ATOM 0 HG3 GLN A 26 0.331 16.051 1.093 1.00 0.00 H new ATOM 0 HE21 GLN A 26 2.378 16.848 -0.904 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.025 18.390 -0.333 1.00 0.00 H new ATOM 140 N LYS A 27 4.067 13.930 4.476 1.00 0.00 N ATOM 141 CA LYS A 27 4.531 13.609 5.822 1.00 0.00 C ATOM 142 C LYS A 27 3.756 14.405 6.869 1.00 0.00 C ATOM 143 O LYS A 27 3.404 15.564 6.646 1.00 0.00 O ATOM 144 CB LYS A 27 6.027 13.897 5.950 1.00 0.00 C ATOM 145 CG LYS A 27 6.890 13.061 5.015 1.00 0.00 C ATOM 146 CD LYS A 27 8.009 12.352 5.763 1.00 0.00 C ATOM 147 CE LYS A 27 8.080 10.879 5.397 1.00 0.00 C ATOM 148 NZ LYS A 27 6.871 10.133 5.848 1.00 0.00 N ATOM 0 H LYS A 27 4.773 14.358 3.876 1.00 0.00 H new ATOM 0 HA LYS A 27 4.356 12.547 5.996 1.00 0.00 H new ATOM 0 HB2 LYS A 27 6.204 14.953 5.747 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.337 13.714 6.979 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.268 12.324 4.508 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.317 13.702 4.244 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.961 12.831 5.534 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.851 12.454 6.837 1.00 0.00 H new ATOM 0 HE2 LYS A 27 8.186 10.778 4.317 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.968 10.436 5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.140 9.448 6.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.175 10.802 6.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.453 9.628 5.040 1.00 0.00 H new ATOM 162 N ASP A 28 3.494 13.776 8.009 1.00 0.00 N ATOM 163 CA ASP A 28 2.761 14.426 9.090 1.00 0.00 C ATOM 164 C ASP A 28 3.641 15.440 9.812 1.00 0.00 C ATOM 165 O ASP A 28 4.742 15.753 9.362 1.00 0.00 O ATOM 166 CB ASP A 28 2.243 13.382 10.082 1.00 0.00 C ATOM 167 CG ASP A 28 0.854 13.708 10.593 1.00 0.00 C ATOM 168 OD1 ASP A 28 0.446 14.885 10.494 1.00 0.00 O ATOM 169 OD2 ASP A 28 0.173 12.787 11.090 1.00 0.00 O ATOM 0 H ASP A 28 3.778 12.817 8.209 1.00 0.00 H new ATOM 0 HA ASP A 28 1.913 14.955 8.654 1.00 0.00 H new ATOM 0 HB2 ASP A 28 2.230 12.404 9.602 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.930 13.314 10.925 1.00 0.00 H new ATOM 174 N ALA A 29 3.146 15.951 10.934 1.00 0.00 N ATOM 175 CA ALA A 29 3.888 16.931 11.720 1.00 0.00 C ATOM 176 C ALA A 29 5.160 16.322 12.299 1.00 0.00 C ATOM 177 O ALA A 29 6.161 17.013 12.486 1.00 0.00 O ATOM 178 CB ALA A 29 3.013 17.484 12.834 1.00 0.00 C ATOM 0 H ALA A 29 2.235 15.703 11.320 1.00 0.00 H new ATOM 0 HA ALA A 29 4.176 17.748 11.058 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.579 18.214 13.413 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.135 17.965 12.402 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.697 16.670 13.486 1.00 0.00 H new ATOM 184 N GLN A 30 5.115 15.024 12.579 1.00 0.00 N ATOM 185 CA GLN A 30 6.266 14.320 13.137 1.00 0.00 C ATOM 186 C GLN A 30 6.929 13.446 12.078 1.00 0.00 C ATOM 187 O GLN A 30 7.422 12.359 12.379 1.00 0.00 O ATOM 188 CB GLN A 30 5.853 13.458 14.340 1.00 0.00 C ATOM 189 CG GLN A 30 4.446 13.733 14.850 1.00 0.00 C ATOM 190 CD GLN A 30 3.391 12.940 14.104 1.00 0.00 C ATOM 191 OE1 GLN A 30 3.443 11.711 14.050 1.00 0.00 O ATOM 192 NE2 GLN A 30 2.424 13.642 13.524 1.00 0.00 N ATOM 0 H GLN A 30 4.294 14.437 12.429 1.00 0.00 H new ATOM 0 HA GLN A 30 6.982 15.070 13.475 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.928 12.407 14.062 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.561 13.624 15.152 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.394 13.491 15.912 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.230 14.797 14.755 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.420 14.660 13.594 1.00 0.00 H new ATOM 0 HE22 GLN A 30 1.685 13.163 13.008 1.00 0.00 H new ATOM 201 N ASN A 31 6.932 13.928 10.835 1.00 0.00 N ATOM 202 CA ASN A 31 7.530 13.193 9.721 1.00 0.00 C ATOM 203 C ASN A 31 7.144 11.717 9.761 1.00 0.00 C ATOM 204 O ASN A 31 7.938 10.845 9.407 1.00 0.00 O ATOM 205 CB ASN A 31 9.055 13.340 9.739 1.00 0.00 C ATOM 206 CG ASN A 31 9.690 12.699 10.958 1.00 0.00 C ATOM 207 OD1 ASN A 31 9.729 13.290 12.036 1.00 0.00 O ATOM 208 ND2 ASN A 31 10.190 11.479 10.792 1.00 0.00 N ATOM 0 H ASN A 31 6.526 14.827 10.574 1.00 0.00 H new ATOM 0 HA ASN A 31 7.144 13.620 8.795 1.00 0.00 H new ATOM 0 HB2 ASN A 31 9.470 12.888 8.838 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.314 14.398 9.713 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.628 10.996 11.577 1.00 0.00 H new ATOM 0 HD22 ASN A 31 10.136 11.026 9.880 1.00 0.00 H new ATOM 215 N LEU A 32 5.918 11.446 10.198 1.00 0.00 N ATOM 216 CA LEU A 32 5.422 10.079 10.291 1.00 0.00 C ATOM 217 C LEU A 32 4.083 9.938 9.573 1.00 0.00 C ATOM 218 O LEU A 32 3.035 10.277 10.120 1.00 0.00 O ATOM 219 CB LEU A 32 5.272 9.670 11.758 1.00 0.00 C ATOM 220 CG LEU A 32 6.583 9.346 12.476 1.00 0.00 C ATOM 221 CD1 LEU A 32 6.406 9.447 13.983 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.076 7.961 12.087 1.00 0.00 C ATOM 0 H LEU A 32 5.249 12.157 10.494 1.00 0.00 H new ATOM 0 HA LEU A 32 6.145 9.421 9.808 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.771 10.476 12.295 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.621 8.798 11.812 1.00 0.00 H new ATOM 0 HG LEU A 32 7.332 10.076 12.169 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.349 9.213 14.477 1.00 0.00 H new ATOM 0 HD12 LEU A 32 6.100 10.459 14.246 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.642 8.741 14.308 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.010 7.748 12.607 1.00 0.00 H new ATOM 0 HD22 LEU A 32 6.328 7.218 12.364 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.244 7.924 11.011 1.00 0.00 H new ATOM 234 N ILE A 33 4.127 9.435 8.343 1.00 0.00 N ATOM 235 CA ILE A 33 2.917 9.252 7.549 1.00 0.00 C ATOM 236 C ILE A 33 1.925 8.333 8.256 1.00 0.00 C ATOM 237 O ILE A 33 0.719 8.408 8.017 1.00 0.00 O ATOM 238 CB ILE A 33 3.237 8.669 6.158 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.202 7.489 6.282 1.00 0.00 C ATOM 240 CG2 ILE A 33 3.820 9.745 5.255 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.271 6.631 5.038 1.00 0.00 C ATOM 0 H ILE A 33 4.986 9.147 7.875 1.00 0.00 H new ATOM 0 HA ILE A 33 2.470 10.239 7.427 1.00 0.00 H new ATOM 0 HB ILE A 33 2.311 8.308 5.711 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.199 7.868 6.508 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.898 6.869 7.125 1.00 0.00 H new ATOM 0 HG21 ILE A 33 4.041 9.318 4.277 1.00 0.00 H new ATOM 0 HG22 ILE A 33 3.100 10.556 5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.738 10.133 5.697 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.974 5.814 5.198 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.284 6.223 4.822 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.605 7.237 4.196 1.00 0.00 H new ATOM 253 N GLY A 34 2.435 7.470 9.126 1.00 0.00 N ATOM 254 CA GLY A 34 1.575 6.553 9.853 1.00 0.00 C ATOM 255 C GLY A 34 1.379 5.238 9.125 1.00 0.00 C ATOM 256 O GLY A 34 0.290 4.955 8.623 1.00 0.00 O ATOM 0 H GLY A 34 3.429 7.388 9.342 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.005 6.360 10.836 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.605 7.022 10.016 1.00 0.00 H new ATOM 260 N ILE A 35 2.434 4.433 9.069 1.00 0.00 N ATOM 261 CA ILE A 35 2.374 3.139 8.400 1.00 0.00 C ATOM 262 C ILE A 35 3.307 2.136 9.067 1.00 0.00 C ATOM 263 O ILE A 35 4.388 2.494 9.535 1.00 0.00 O ATOM 264 CB ILE A 35 2.742 3.257 6.909 1.00 0.00 C ATOM 265 CG1 ILE A 35 4.154 3.826 6.751 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.731 4.125 6.178 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.798 3.485 5.426 1.00 0.00 C ATOM 0 H ILE A 35 3.341 4.654 9.479 1.00 0.00 H new ATOM 0 HA ILE A 35 1.346 2.787 8.482 1.00 0.00 H new ATOM 0 HB ILE A 35 2.721 2.261 6.468 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.114 4.910 6.858 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.781 3.449 7.559 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.007 4.197 5.126 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.740 3.680 6.264 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.720 5.121 6.620 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.796 3.921 5.384 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.870 2.402 5.324 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.193 3.886 4.613 1.00 0.00 H new ATOM 279 N SER A 36 2.883 0.879 9.109 1.00 0.00 N ATOM 280 CA SER A 36 3.681 -0.177 9.719 1.00 0.00 C ATOM 281 C SER A 36 4.209 -1.141 8.662 1.00 0.00 C ATOM 282 O SER A 36 3.514 -1.460 7.698 1.00 0.00 O ATOM 283 CB SER A 36 2.851 -0.940 10.755 1.00 0.00 C ATOM 284 OG SER A 36 3.553 -2.071 11.240 1.00 0.00 O ATOM 0 H SER A 36 1.990 0.566 8.728 1.00 0.00 H new ATOM 0 HA SER A 36 4.532 0.288 10.217 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.603 -0.279 11.585 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.909 -1.257 10.308 1.00 0.00 H new ATOM 0 HG SER A 36 3.076 -2.447 12.009 1.00 0.00 H new ATOM 290 N ILE A 37 5.441 -1.601 8.849 1.00 0.00 N ATOM 291 CA ILE A 37 6.061 -2.529 7.910 1.00 0.00 C ATOM 292 C ILE A 37 6.888 -3.580 8.642 1.00 0.00 C ATOM 293 O ILE A 37 7.284 -3.386 9.791 1.00 0.00 O ATOM 294 CB ILE A 37 6.966 -1.792 6.903 1.00 0.00 C ATOM 295 CG1 ILE A 37 7.927 -0.853 7.634 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.122 -1.021 5.899 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.193 -1.532 8.106 1.00 0.00 C ATOM 0 H ILE A 37 6.030 -1.347 9.642 1.00 0.00 H new ATOM 0 HA ILE A 37 5.251 -3.018 7.369 1.00 0.00 H new ATOM 0 HB ILE A 37 7.556 -2.531 6.361 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.192 -0.029 6.971 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.415 -0.419 8.493 1.00 0.00 H new ATOM 0 HG21 ILE A 37 6.775 -0.506 5.194 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.478 -1.714 5.357 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.508 -0.290 6.425 1.00 0.00 H new ATOM 0 HD11 ILE A 37 9.827 -0.806 8.615 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.939 -2.338 8.794 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.727 -1.942 7.249 1.00 0.00 H new ATOM 309 N GLY A 38 7.143 -4.697 7.969 1.00 0.00 N ATOM 310 CA GLY A 38 7.921 -5.765 8.570 1.00 0.00 C ATOM 311 C GLY A 38 9.072 -6.210 7.688 1.00 0.00 C ATOM 312 O GLY A 38 8.889 -6.463 6.497 1.00 0.00 O ATOM 0 H GLY A 38 6.825 -4.882 7.018 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.312 -5.430 9.531 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.270 -6.616 8.770 1.00 0.00 H new ATOM 316 N GLY A 39 10.260 -6.307 8.273 1.00 0.00 N ATOM 317 CA GLY A 39 11.428 -6.725 7.518 1.00 0.00 C ATOM 318 C GLY A 39 12.457 -7.427 8.382 1.00 0.00 C ATOM 319 O GLY A 39 12.529 -7.192 9.588 1.00 0.00 O ATOM 0 H GLY A 39 10.436 -6.104 9.257 1.00 0.00 H new ATOM 0 HA2 GLY A 39 11.117 -7.392 6.714 1.00 0.00 H new ATOM 0 HA3 GLY A 39 11.885 -5.853 7.050 1.00 0.00 H new ATOM 414 N LEU A 47 10.027 -7.203 2.314 1.00 0.00 N ATOM 415 CA LEU A 47 9.393 -6.190 3.151 1.00 0.00 C ATOM 416 C LEU A 47 7.873 -6.292 3.068 1.00 0.00 C ATOM 417 O LEU A 47 7.315 -6.558 2.003 1.00 0.00 O ATOM 418 CB LEU A 47 9.852 -4.791 2.731 1.00 0.00 C ATOM 419 CG LEU A 47 10.547 -3.982 3.826 1.00 0.00 C ATOM 420 CD1 LEU A 47 9.624 -3.795 5.020 1.00 0.00 C ATOM 421 CD2 LEU A 47 11.840 -4.663 4.252 1.00 0.00 C ATOM 0 HA LEU A 47 9.693 -6.365 4.184 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.532 -4.887 1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 47 8.985 -4.231 2.381 1.00 0.00 H new ATOM 0 HG LEU A 47 10.791 -2.999 3.424 1.00 0.00 H new ATOM 0 HD11 LEU A 47 10.136 -3.217 5.789 1.00 0.00 H new ATOM 0 HD12 LEU A 47 8.725 -3.264 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.348 -4.770 5.423 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.322 -4.074 5.032 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.618 -5.659 4.635 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.508 -4.745 3.394 1.00 0.00 H new ATOM 433 N TYR A 48 7.208 -6.077 4.199 1.00 0.00 N ATOM 434 CA TYR A 48 5.751 -6.144 4.253 1.00 0.00 C ATOM 435 C TYR A 48 5.170 -4.868 4.852 1.00 0.00 C ATOM 436 O TYR A 48 5.898 -4.038 5.395 1.00 0.00 O ATOM 437 CB TYR A 48 5.306 -7.356 5.074 1.00 0.00 C ATOM 438 CG TYR A 48 5.407 -8.665 4.325 1.00 0.00 C ATOM 439 CD1 TYR A 48 6.640 -9.164 3.922 1.00 0.00 C ATOM 440 CD2 TYR A 48 4.269 -9.403 4.018 1.00 0.00 C ATOM 441 CE1 TYR A 48 6.737 -10.361 3.237 1.00 0.00 C ATOM 442 CE2 TYR A 48 4.359 -10.600 3.333 1.00 0.00 C ATOM 443 CZ TYR A 48 5.594 -11.074 2.945 1.00 0.00 C ATOM 444 OH TYR A 48 5.686 -12.266 2.263 1.00 0.00 O ATOM 0 H TYR A 48 7.654 -5.855 5.089 1.00 0.00 H new ATOM 0 HA TYR A 48 5.378 -6.248 3.234 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.914 -7.416 5.977 1.00 0.00 H new ATOM 0 HB3 TYR A 48 4.274 -7.209 5.394 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.538 -8.607 4.148 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.300 -9.035 4.320 1.00 0.00 H new ATOM 0 HE1 TYR A 48 7.703 -10.735 2.932 1.00 0.00 H new ATOM 0 HE2 TYR A 48 3.466 -11.162 3.103 1.00 0.00 H new ATOM 0 HH TYR A 48 4.790 -12.642 2.139 1.00 0.00 H new ATOM 454 N ILE A 49 3.854 -4.717 4.747 1.00 0.00 N ATOM 455 CA ILE A 49 3.175 -3.541 5.277 1.00 0.00 C ATOM 456 C ILE A 49 1.997 -3.937 6.161 1.00 0.00 C ATOM 457 O ILE A 49 1.021 -4.520 5.689 1.00 0.00 O ATOM 458 CB ILE A 49 2.669 -2.626 4.145 1.00 0.00 C ATOM 459 CG1 ILE A 49 3.791 -2.349 3.144 1.00 0.00 C ATOM 460 CG2 ILE A 49 2.128 -1.324 4.716 1.00 0.00 C ATOM 461 CD1 ILE A 49 3.308 -1.732 1.850 1.00 0.00 C ATOM 0 H ILE A 49 3.237 -5.395 4.300 1.00 0.00 H new ATOM 0 HA ILE A 49 3.906 -2.997 5.874 1.00 0.00 H new ATOM 0 HB ILE A 49 1.859 -3.135 3.623 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.521 -1.683 3.604 1.00 0.00 H new ATOM 0 HG13 ILE A 49 4.307 -3.283 2.921 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.775 -0.689 3.903 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.302 -1.539 5.394 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.919 -0.809 5.261 1.00 0.00 H new ATOM 0 HD11 ILE A 49 4.157 -1.563 1.188 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.600 -2.406 1.367 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.818 -0.782 2.061 1.00 0.00 H new ATOM 473 N VAL A 50 2.095 -3.614 7.446 1.00 0.00 N ATOM 474 CA VAL A 50 1.037 -3.932 8.400 1.00 0.00 C ATOM 475 C VAL A 50 0.016 -2.801 8.477 1.00 0.00 C ATOM 476 O VAL A 50 0.267 -1.693 8.002 1.00 0.00 O ATOM 477 CB VAL A 50 1.607 -4.196 9.810 1.00 0.00 C ATOM 478 CG1 VAL A 50 0.602 -4.959 10.660 1.00 0.00 C ATOM 479 CG2 VAL A 50 2.924 -4.955 9.727 1.00 0.00 C ATOM 0 H VAL A 50 2.897 -3.132 7.852 1.00 0.00 H new ATOM 0 HA VAL A 50 0.548 -4.839 8.043 1.00 0.00 H new ATOM 0 HB VAL A 50 1.798 -3.234 10.285 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.022 -5.135 11.650 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.313 -4.375 10.753 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.376 -5.914 10.186 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.307 -5.130 10.732 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.762 -5.911 9.229 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.647 -4.368 9.160 1.00 0.00 H new ATOM 489 N GLN A 51 -1.136 -3.087 9.078 1.00 0.00 N ATOM 490 CA GLN A 51 -2.202 -2.095 9.217 1.00 0.00 C ATOM 491 C GLN A 51 -1.657 -0.762 9.724 1.00 0.00 C ATOM 492 O GLN A 51 -0.729 -0.726 10.533 1.00 0.00 O ATOM 493 CB GLN A 51 -3.281 -2.609 10.171 1.00 0.00 C ATOM 494 CG GLN A 51 -2.796 -2.784 11.602 1.00 0.00 C ATOM 495 CD GLN A 51 -3.820 -3.468 12.485 1.00 0.00 C ATOM 496 OE1 GLN A 51 -4.089 -4.660 12.338 1.00 0.00 O ATOM 497 NE2 GLN A 51 -4.400 -2.712 13.412 1.00 0.00 N ATOM 0 H GLN A 51 -1.357 -3.999 9.478 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.637 -1.933 8.231 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -4.121 -1.915 10.163 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.654 -3.565 9.803 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.875 -3.367 11.601 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -2.554 -1.808 12.022 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -4.147 -1.728 13.499 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.098 -3.116 14.036 1.00 0.00 H new ATOM 506 N VAL A 52 -2.244 0.331 9.247 1.00 0.00 N ATOM 507 CA VAL A 52 -1.822 1.664 9.654 1.00 0.00 C ATOM 508 C VAL A 52 -2.567 2.112 10.908 1.00 0.00 C ATOM 509 O VAL A 52 -3.343 1.350 11.485 1.00 0.00 O ATOM 510 CB VAL A 52 -2.053 2.699 8.533 1.00 0.00 C ATOM 511 CG1 VAL A 52 -1.271 2.320 7.286 1.00 0.00 C ATOM 512 CG2 VAL A 52 -3.537 2.832 8.221 1.00 0.00 C ATOM 0 H VAL A 52 -3.014 0.318 8.578 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.754 1.608 9.866 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.692 3.667 8.880 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.447 3.062 6.507 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.207 2.285 7.520 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.598 1.341 6.935 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.678 3.567 7.428 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.928 1.868 7.896 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.069 3.157 9.115 1.00 0.00 H new ATOM 522 N PHE A 53 -2.328 3.350 11.324 1.00 0.00 N ATOM 523 CA PHE A 53 -2.979 3.896 12.508 1.00 0.00 C ATOM 524 C PHE A 53 -3.938 5.019 12.130 1.00 0.00 C ATOM 525 O PHE A 53 -3.704 5.751 11.168 1.00 0.00 O ATOM 526 CB PHE A 53 -1.934 4.404 13.501 1.00 0.00 C ATOM 527 CG PHE A 53 -1.305 3.305 14.309 1.00 0.00 C ATOM 528 CD1 PHE A 53 -1.981 2.739 15.377 1.00 0.00 C ATOM 529 CD2 PHE A 53 -0.040 2.833 13.995 1.00 0.00 C ATOM 530 CE1 PHE A 53 -1.408 1.723 16.119 1.00 0.00 C ATOM 531 CE2 PHE A 53 0.538 1.818 14.731 1.00 0.00 C ATOM 532 CZ PHE A 53 -0.148 1.262 15.794 1.00 0.00 C ATOM 0 H PHE A 53 -1.688 3.994 10.859 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.554 3.099 12.979 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.155 4.939 12.958 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.401 5.121 14.176 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -2.968 3.096 15.633 1.00 0.00 H new ATOM 0 HD2 PHE A 53 0.500 3.264 13.165 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -1.945 1.291 16.951 1.00 0.00 H new ATOM 0 HE2 PHE A 53 1.524 1.459 14.476 1.00 0.00 H new ATOM 0 HZ PHE A 53 0.302 0.467 16.370 1.00 0.00 H new ATOM 542 N ASP A 54 -5.022 5.146 12.886 1.00 0.00 N ATOM 543 CA ASP A 54 -6.020 6.176 12.624 1.00 0.00 C ATOM 544 C ASP A 54 -5.427 7.571 12.785 1.00 0.00 C ATOM 545 O ASP A 54 -4.410 7.755 13.453 1.00 0.00 O ATOM 546 CB ASP A 54 -7.215 6.005 13.564 1.00 0.00 C ATOM 547 CG ASP A 54 -8.541 6.198 12.855 1.00 0.00 C ATOM 548 OD1 ASP A 54 -8.871 7.354 12.517 1.00 0.00 O ATOM 549 OD2 ASP A 54 -9.249 5.193 12.636 1.00 0.00 O ATOM 0 H ASP A 54 -5.232 4.549 13.685 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.355 6.065 11.593 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -7.185 5.010 14.008 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.136 6.721 14.382 1.00 0.00 H new ATOM 554 N ASN A 55 -6.079 8.554 12.169 1.00 0.00 N ATOM 555 CA ASN A 55 -5.633 9.942 12.239 1.00 0.00 C ATOM 556 C ASN A 55 -4.306 10.149 11.510 1.00 0.00 C ATOM 557 O ASN A 55 -3.643 11.169 11.698 1.00 0.00 O ATOM 558 CB ASN A 55 -5.500 10.388 13.695 1.00 0.00 C ATOM 559 CG ASN A 55 -6.754 10.112 14.502 1.00 0.00 C ATOM 560 OD1 ASN A 55 -7.673 10.930 14.540 1.00 0.00 O ATOM 561 ND2 ASN A 55 -6.796 8.956 15.153 1.00 0.00 N ATOM 0 H ASN A 55 -6.922 8.413 11.613 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.388 10.551 11.742 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.656 9.874 14.154 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.279 11.455 13.726 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.614 8.716 15.713 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.011 8.308 15.093 1.00 0.00 H new ATOM 568 N THR A 56 -3.923 9.188 10.672 1.00 0.00 N ATOM 569 CA THR A 56 -2.678 9.293 9.921 1.00 0.00 C ATOM 570 C THR A 56 -2.957 9.679 8.471 1.00 0.00 C ATOM 571 O THR A 56 -3.991 9.315 7.914 1.00 0.00 O ATOM 572 CB THR A 56 -1.911 7.971 9.967 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.633 6.947 9.308 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.617 7.499 11.374 1.00 0.00 C ATOM 0 H THR A 56 -4.454 8.334 10.498 1.00 0.00 H new ATOM 0 HA THR A 56 -2.069 10.071 10.382 1.00 0.00 H new ATOM 0 HB THR A 56 -0.964 8.169 9.464 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.725 6.175 9.905 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.071 6.556 11.335 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.014 8.246 11.890 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.554 7.354 11.912 1.00 0.00 H new ATOM 582 N PRO A 57 -2.036 10.424 7.837 1.00 0.00 N ATOM 583 CA PRO A 57 -2.194 10.854 6.444 1.00 0.00 C ATOM 584 C PRO A 57 -2.332 9.672 5.492 1.00 0.00 C ATOM 585 O PRO A 57 -2.987 9.769 4.453 1.00 0.00 O ATOM 586 CB PRO A 57 -0.905 11.634 6.152 1.00 0.00 C ATOM 587 CG PRO A 57 0.058 11.206 7.206 1.00 0.00 C ATOM 588 CD PRO A 57 -0.772 10.901 8.419 1.00 0.00 C ATOM 0 HA PRO A 57 -3.098 11.446 6.302 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.525 11.408 5.156 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.078 12.709 6.190 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.622 10.329 6.888 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.783 11.992 7.416 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.305 10.143 9.049 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -0.921 11.784 9.040 1.00 0.00 H new ATOM 596 N ALA A 58 -1.715 8.552 5.855 1.00 0.00 N ATOM 597 CA ALA A 58 -1.771 7.347 5.037 1.00 0.00 C ATOM 598 C ALA A 58 -3.114 6.641 5.194 1.00 0.00 C ATOM 599 O ALA A 58 -3.603 6.000 4.264 1.00 0.00 O ATOM 600 CB ALA A 58 -0.633 6.407 5.404 1.00 0.00 C ATOM 0 H ALA A 58 -1.170 8.454 6.712 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.663 7.640 3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.687 5.511 4.785 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.321 6.907 5.236 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.716 6.128 6.454 1.00 0.00 H new ATOM 606 N ALA A 59 -3.707 6.766 6.377 1.00 0.00 N ATOM 607 CA ALA A 59 -4.993 6.140 6.658 1.00 0.00 C ATOM 608 C ALA A 59 -6.149 7.067 6.291 1.00 0.00 C ATOM 609 O ALA A 59 -7.248 6.612 5.978 1.00 0.00 O ATOM 610 CB ALA A 59 -5.078 5.747 8.124 1.00 0.00 C ATOM 0 H ALA A 59 -3.317 7.296 7.157 1.00 0.00 H new ATOM 0 HA ALA A 59 -5.073 5.242 6.045 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.043 5.281 8.320 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.280 5.042 8.359 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.971 6.636 8.746 1.00 0.00 H new ATOM 616 N LEU A 60 -5.892 8.371 6.333 1.00 0.00 N ATOM 617 CA LEU A 60 -6.910 9.362 6.005 1.00 0.00 C ATOM 618 C LEU A 60 -7.116 9.448 4.497 1.00 0.00 C ATOM 619 O LEU A 60 -8.248 9.527 4.017 1.00 0.00 O ATOM 620 CB LEU A 60 -6.515 10.734 6.557 1.00 0.00 C ATOM 621 CG LEU A 60 -6.466 10.831 8.085 1.00 0.00 C ATOM 622 CD1 LEU A 60 -5.570 11.981 8.516 1.00 0.00 C ATOM 623 CD2 LEU A 60 -7.866 11.002 8.653 1.00 0.00 C ATOM 0 H LEU A 60 -4.987 8.765 6.591 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.847 9.050 6.466 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.535 10.999 6.160 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.222 11.475 6.184 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.048 9.904 8.477 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.546 12.036 9.604 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.561 11.817 8.139 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.960 12.916 8.114 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.812 11.069 9.740 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.311 11.914 8.255 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.480 10.146 8.372 1.00 0.00 H new ATOM 635 N ASP A 61 -6.014 9.428 3.751 1.00 0.00 N ATOM 636 CA ASP A 61 -6.075 9.502 2.297 1.00 0.00 C ATOM 637 C ASP A 61 -6.639 8.212 1.711 1.00 0.00 C ATOM 638 O ASP A 61 -7.364 8.235 0.717 1.00 0.00 O ATOM 639 CB ASP A 61 -4.682 9.773 1.721 1.00 0.00 C ATOM 640 CG ASP A 61 -4.475 11.235 1.373 1.00 0.00 C ATOM 641 OD1 ASP A 61 -5.049 11.691 0.362 1.00 0.00 O ATOM 642 OD2 ASP A 61 -3.741 11.923 2.112 1.00 0.00 O ATOM 0 H ASP A 61 -5.070 9.361 4.131 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.739 10.323 2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.927 9.464 2.443 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.537 9.165 0.828 1.00 0.00 H new ATOM 647 N GLY A 62 -6.300 7.088 2.334 1.00 0.00 N ATOM 648 CA GLY A 62 -6.782 5.803 1.861 1.00 0.00 C ATOM 649 C GLY A 62 -6.026 5.313 0.642 1.00 0.00 C ATOM 650 O GLY A 62 -6.487 5.475 -0.489 1.00 0.00 O ATOM 0 H GLY A 62 -5.700 7.044 3.158 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.691 5.068 2.661 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.842 5.882 1.620 1.00 0.00 H new ATOM 654 N THR A 63 -4.862 4.713 0.869 1.00 0.00 N ATOM 655 CA THR A 63 -4.042 4.198 -0.220 1.00 0.00 C ATOM 656 C THR A 63 -3.133 3.074 0.266 1.00 0.00 C ATOM 657 O THR A 63 -3.284 1.921 -0.139 1.00 0.00 O ATOM 658 CB THR A 63 -3.201 5.322 -0.828 1.00 0.00 C ATOM 659 OG1 THR A 63 -3.951 6.520 -0.914 1.00 0.00 O ATOM 660 CG2 THR A 63 -2.687 4.999 -2.216 1.00 0.00 C ATOM 0 H THR A 63 -4.466 4.572 1.798 1.00 0.00 H new ATOM 0 HA THR A 63 -4.708 3.797 -0.984 1.00 0.00 H new ATOM 0 HB THR A 63 -2.348 5.439 -0.160 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.750 6.972 -1.760 1.00 0.00 H new ATOM 0 HG21 THR A 63 -2.098 5.837 -2.590 1.00 0.00 H new ATOM 0 HG22 THR A 63 -2.062 4.107 -2.174 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.530 4.821 -2.884 1.00 0.00 H new ATOM 668 N VAL A 64 -2.191 3.416 1.138 1.00 0.00 N ATOM 669 CA VAL A 64 -1.259 2.436 1.680 1.00 0.00 C ATOM 670 C VAL A 64 -1.790 1.828 2.973 1.00 0.00 C ATOM 671 O VAL A 64 -2.280 2.539 3.849 1.00 0.00 O ATOM 672 CB VAL A 64 0.123 3.061 1.949 1.00 0.00 C ATOM 673 CG1 VAL A 64 0.807 3.428 0.642 1.00 0.00 C ATOM 674 CG2 VAL A 64 -0.010 4.280 2.850 1.00 0.00 C ATOM 0 H VAL A 64 -2.053 4.365 1.484 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.154 1.653 0.929 1.00 0.00 H new ATOM 0 HB VAL A 64 0.742 2.324 2.461 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.782 3.868 0.853 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.937 2.532 0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.194 4.148 0.100 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.976 4.709 3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.646 5.022 2.367 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.455 3.984 3.800 1.00 0.00 H new ATOM 684 N ALA A 65 -1.688 0.507 3.085 1.00 0.00 N ATOM 685 CA ALA A 65 -2.160 -0.197 4.271 1.00 0.00 C ATOM 686 C ALA A 65 -1.831 -1.684 4.193 1.00 0.00 C ATOM 687 O ALA A 65 -1.083 -2.120 3.317 1.00 0.00 O ATOM 688 CB ALA A 65 -3.657 0.005 4.444 1.00 0.00 C ATOM 0 H ALA A 65 -1.283 -0.096 2.369 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.646 0.218 5.138 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.995 -0.526 5.334 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.870 1.068 4.553 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -4.180 -0.382 3.569 1.00 0.00 H new ATOM 694 N ALA A 66 -2.396 -2.459 5.113 1.00 0.00 N ATOM 695 CA ALA A 66 -2.164 -3.897 5.149 1.00 0.00 C ATOM 696 C ALA A 66 -2.804 -4.587 3.949 1.00 0.00 C ATOM 697 O ALA A 66 -4.003 -4.446 3.708 1.00 0.00 O ATOM 698 CB ALA A 66 -2.697 -4.486 6.445 1.00 0.00 C ATOM 0 H ALA A 66 -3.018 -2.114 5.844 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.088 -4.067 5.102 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.517 -5.561 6.457 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.189 -4.023 7.291 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.768 -4.297 6.517 1.00 0.00 H new ATOM 704 N GLY A 67 -1.997 -5.331 3.200 1.00 0.00 N ATOM 705 CA GLY A 67 -2.503 -6.031 2.035 1.00 0.00 C ATOM 706 C GLY A 67 -1.631 -5.827 0.812 1.00 0.00 C ATOM 707 O GLY A 67 -1.574 -6.684 -0.070 1.00 0.00 O ATOM 0 H GLY A 67 -1.001 -5.461 3.379 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.570 -7.096 2.256 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.514 -5.686 1.818 1.00 0.00 H new ATOM 711 N ASP A 68 -0.952 -4.685 0.758 1.00 0.00 N ATOM 712 CA ASP A 68 -0.079 -4.369 -0.367 1.00 0.00 C ATOM 713 C ASP A 68 1.374 -4.696 -0.038 1.00 0.00 C ATOM 714 O ASP A 68 1.680 -5.178 1.052 1.00 0.00 O ATOM 715 CB ASP A 68 -0.209 -2.891 -0.740 1.00 0.00 C ATOM 716 CG ASP A 68 -1.637 -2.501 -1.074 1.00 0.00 C ATOM 717 OD1 ASP A 68 -2.558 -2.962 -0.368 1.00 0.00 O ATOM 718 OD2 ASP A 68 -1.832 -1.738 -2.042 1.00 0.00 O ATOM 0 H ASP A 68 -0.990 -3.964 1.479 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.386 -4.980 -1.216 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.148 -2.278 0.087 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.432 -2.677 -1.595 1.00 0.00 H new ATOM 723 N GLU A 69 2.264 -4.430 -0.988 1.00 0.00 N ATOM 724 CA GLU A 69 3.685 -4.695 -0.799 1.00 0.00 C ATOM 725 C GLU A 69 4.529 -3.532 -1.307 1.00 0.00 C ATOM 726 O GLU A 69 4.495 -3.198 -2.490 1.00 0.00 O ATOM 727 CB GLU A 69 4.085 -5.984 -1.521 1.00 0.00 C ATOM 728 CG GLU A 69 5.500 -6.443 -1.206 1.00 0.00 C ATOM 729 CD GLU A 69 5.588 -7.938 -0.965 1.00 0.00 C ATOM 730 OE1 GLU A 69 4.829 -8.447 -0.113 1.00 0.00 O ATOM 731 OE2 GLU A 69 6.415 -8.598 -1.628 1.00 0.00 O ATOM 0 H GLU A 69 2.026 -4.031 -1.896 1.00 0.00 H new ATOM 0 HA GLU A 69 3.867 -4.812 0.269 1.00 0.00 H new ATOM 0 HB2 GLU A 69 3.386 -6.775 -1.249 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.992 -5.832 -2.596 1.00 0.00 H new ATOM 0 HG2 GLU A 69 6.158 -6.172 -2.032 1.00 0.00 H new ATOM 0 HG3 GLU A 69 5.862 -5.915 -0.324 1.00 0.00 H new ATOM 738 N ILE A 70 5.286 -2.918 -0.403 1.00 0.00 N ATOM 739 CA ILE A 70 6.139 -1.791 -0.758 1.00 0.00 C ATOM 740 C ILE A 70 7.354 -2.255 -1.558 1.00 0.00 C ATOM 741 O ILE A 70 7.778 -3.406 -1.448 1.00 0.00 O ATOM 742 CB ILE A 70 6.615 -1.030 0.497 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.449 0.190 0.101 1.00 0.00 C ATOM 744 CG2 ILE A 70 7.410 -1.952 1.409 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.870 1.042 1.279 1.00 0.00 C ATOM 0 H ILE A 70 5.326 -3.183 0.581 1.00 0.00 H new ATOM 0 HA ILE A 70 5.541 -1.118 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 70 5.738 -0.681 1.043 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.339 -0.146 -0.431 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.875 0.803 -0.594 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.738 -1.399 2.289 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.782 -2.787 1.719 1.00 0.00 H new ATOM 0 HG23 ILE A 70 8.280 -2.331 0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.458 1.889 0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.984 1.407 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.472 0.444 1.964 1.00 0.00 H new ATOM 757 N THR A 71 7.906 -1.354 -2.363 1.00 0.00 N ATOM 758 CA THR A 71 9.069 -1.672 -3.182 1.00 0.00 C ATOM 759 C THR A 71 9.738 -0.403 -3.699 1.00 0.00 C ATOM 760 O THR A 71 10.309 -0.392 -4.790 1.00 0.00 O ATOM 761 CB THR A 71 8.663 -2.563 -4.356 1.00 0.00 C ATOM 762 OG1 THR A 71 9.788 -2.884 -5.155 1.00 0.00 O ATOM 763 CG2 THR A 71 7.625 -1.928 -5.256 1.00 0.00 C ATOM 0 H THR A 71 7.567 -0.398 -2.466 1.00 0.00 H new ATOM 0 HA THR A 71 9.784 -2.207 -2.558 1.00 0.00 H new ATOM 0 HB THR A 71 8.232 -3.457 -3.906 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.223 -2.058 -5.454 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.381 -2.612 -6.069 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.725 -1.714 -4.679 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.020 -1.000 -5.669 1.00 0.00 H new ATOM 771 N GLY A 72 9.663 0.664 -2.911 1.00 0.00 N ATOM 772 CA GLY A 72 10.266 1.922 -3.309 1.00 0.00 C ATOM 773 C GLY A 72 9.800 3.087 -2.459 1.00 0.00 C ATOM 774 O GLY A 72 8.820 2.974 -1.722 1.00 0.00 O ATOM 0 H GLY A 72 9.196 0.680 -2.004 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.351 1.838 -3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.027 2.121 -4.354 1.00 0.00 H new ATOM 778 N VAL A 73 10.503 4.210 -2.563 1.00 0.00 N ATOM 779 CA VAL A 73 10.159 5.403 -1.799 1.00 0.00 C ATOM 780 C VAL A 73 10.826 6.641 -2.389 1.00 0.00 C ATOM 781 O VAL A 73 12.052 6.720 -2.468 1.00 0.00 O ATOM 782 CB VAL A 73 10.570 5.262 -0.320 1.00 0.00 C ATOM 783 CG1 VAL A 73 12.076 5.093 -0.194 1.00 0.00 C ATOM 784 CG2 VAL A 73 10.089 6.460 0.488 1.00 0.00 C ATOM 0 H VAL A 73 11.316 4.319 -3.170 1.00 0.00 H new ATOM 0 HA VAL A 73 9.076 5.516 -1.855 1.00 0.00 H new ATOM 0 HB VAL A 73 10.095 4.368 0.083 1.00 0.00 H new ATOM 0 HG11 VAL A 73 12.344 4.995 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 73 12.388 4.198 -0.733 1.00 0.00 H new ATOM 0 HG13 VAL A 73 12.577 5.964 -0.617 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.389 6.341 1.529 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.530 7.372 0.085 1.00 0.00 H new ATOM 0 HG23 VAL A 73 9.003 6.526 0.429 1.00 0.00 H new ATOM 794 N ASN A 74 10.012 7.606 -2.803 1.00 0.00 N ATOM 795 CA ASN A 74 10.524 8.841 -3.386 1.00 0.00 C ATOM 796 C ASN A 74 11.343 8.552 -4.641 1.00 0.00 C ATOM 797 O ASN A 74 12.280 9.283 -4.965 1.00 0.00 O ATOM 798 CB ASN A 74 11.380 9.595 -2.367 1.00 0.00 C ATOM 799 CG ASN A 74 11.179 11.096 -2.437 1.00 0.00 C ATOM 800 OD1 ASN A 74 10.436 11.594 -3.283 1.00 0.00 O ATOM 801 ND2 ASN A 74 11.840 11.824 -1.546 1.00 0.00 N ATOM 0 H ASN A 74 8.995 7.557 -2.746 1.00 0.00 H new ATOM 0 HA ASN A 74 9.672 9.462 -3.664 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.137 9.246 -1.364 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.431 9.364 -2.539 1.00 0.00 H new ATOM 0 HD21 ASN A 74 11.743 12.839 -1.544 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.445 11.368 -0.863 1.00 0.00 H new ATOM 808 N GLY A 75 10.982 7.483 -5.343 1.00 0.00 N ATOM 809 CA GLY A 75 11.693 7.117 -6.554 1.00 0.00 C ATOM 810 C GLY A 75 12.726 6.034 -6.315 1.00 0.00 C ATOM 811 O GLY A 75 13.045 5.262 -7.220 1.00 0.00 O ATOM 0 H GLY A 75 10.210 6.864 -5.095 1.00 0.00 H new ATOM 0 HA2 GLY A 75 10.978 6.774 -7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.184 7.999 -6.964 1.00 0.00 H new ATOM 815 N ARG A 76 13.249 5.977 -5.094 1.00 0.00 N ATOM 816 CA ARG A 76 14.252 4.979 -4.739 1.00 0.00 C ATOM 817 C ARG A 76 13.612 3.608 -4.548 1.00 0.00 C ATOM 818 O ARG A 76 12.393 3.491 -4.426 1.00 0.00 O ATOM 819 CB ARG A 76 14.984 5.394 -3.461 1.00 0.00 C ATOM 820 CG ARG A 76 15.999 6.505 -3.674 1.00 0.00 C ATOM 821 CD ARG A 76 17.049 6.524 -2.574 1.00 0.00 C ATOM 822 NE ARG A 76 18.407 6.506 -3.112 1.00 0.00 N ATOM 823 CZ ARG A 76 19.484 6.870 -2.418 1.00 0.00 C ATOM 824 NH1 ARG A 76 19.366 7.278 -1.161 1.00 0.00 N ATOM 825 NH2 ARG A 76 20.682 6.824 -2.983 1.00 0.00 N ATOM 0 H ARG A 76 12.995 6.609 -4.335 1.00 0.00 H new ATOM 0 HA ARG A 76 14.969 4.915 -5.557 1.00 0.00 H new ATOM 0 HB2 ARG A 76 14.252 5.719 -2.722 1.00 0.00 H new ATOM 0 HB3 ARG A 76 15.492 4.524 -3.045 1.00 0.00 H new ATOM 0 HG2 ARG A 76 16.486 6.373 -4.640 1.00 0.00 H new ATOM 0 HG3 ARG A 76 15.486 7.466 -3.704 1.00 0.00 H new ATOM 0 HD2 ARG A 76 16.914 7.414 -1.960 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.906 5.662 -1.922 1.00 0.00 H new ATOM 0 HE ARG A 76 18.538 6.197 -4.075 1.00 0.00 H new ATOM 0 HH11 ARG A 76 18.447 7.314 -0.721 1.00 0.00 H new ATOM 0 HH12 ARG A 76 20.195 7.555 -0.635 1.00 0.00 H new ATOM 0 HH21 ARG A 76 20.779 6.510 -3.949 1.00 0.00 H new ATOM 0 HH22 ARG A 76 21.507 7.103 -2.452 1.00 0.00 H new ATOM 839 N SER A 77 14.443 2.572 -4.523 1.00 0.00 N ATOM 840 CA SER A 77 13.959 1.207 -4.346 1.00 0.00 C ATOM 841 C SER A 77 14.262 0.702 -2.940 1.00 0.00 C ATOM 842 O SER A 77 15.265 1.082 -2.337 1.00 0.00 O ATOM 843 CB SER A 77 14.596 0.279 -5.383 1.00 0.00 C ATOM 844 OG SER A 77 15.938 0.649 -5.643 1.00 0.00 O ATOM 0 H SER A 77 15.455 2.651 -4.623 1.00 0.00 H new ATOM 0 HA SER A 77 12.878 1.209 -4.487 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.562 -0.750 -5.024 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.020 0.313 -6.308 1.00 0.00 H new ATOM 0 HG SER A 77 16.323 0.040 -6.307 1.00 0.00 H new ATOM 850 N ILE A 78 13.390 -0.156 -2.423 1.00 0.00 N ATOM 851 CA ILE A 78 13.565 -0.711 -1.086 1.00 0.00 C ATOM 852 C ILE A 78 13.545 -2.240 -1.105 1.00 0.00 C ATOM 853 O ILE A 78 13.511 -2.880 -0.053 1.00 0.00 O ATOM 854 CB ILE A 78 12.472 -0.207 -0.124 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.091 -0.665 -0.597 1.00 0.00 C ATOM 856 CG2 ILE A 78 12.524 1.309 -0.012 1.00 0.00 C ATOM 857 CD1 ILE A 78 10.624 -1.946 0.057 1.00 0.00 C ATOM 0 H ILE A 78 12.555 -0.482 -2.909 1.00 0.00 H new ATOM 0 HA ILE A 78 14.539 -0.373 -0.733 1.00 0.00 H new ATOM 0 HB ILE A 78 12.655 -0.632 0.863 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.366 0.123 -0.393 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.114 -0.805 -1.678 1.00 0.00 H new ATOM 0 HG21 ILE A 78 11.746 1.650 0.671 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.499 1.612 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.364 1.752 -0.995 1.00 0.00 H new ATOM 0 HD11 ILE A 78 9.638 -2.211 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 78 11.328 -2.747 -0.168 1.00 0.00 H new ATOM 0 HD13 ILE A 78 10.569 -1.804 1.136 1.00 0.00 H new ATOM 869 N LYS A 79 13.564 -2.822 -2.301 1.00 0.00 N ATOM 870 CA LYS A 79 13.546 -4.274 -2.443 1.00 0.00 C ATOM 871 C LYS A 79 14.774 -4.900 -1.787 1.00 0.00 C ATOM 872 O LYS A 79 14.728 -6.039 -1.322 1.00 0.00 O ATOM 873 CB LYS A 79 13.485 -4.662 -3.921 1.00 0.00 C ATOM 874 CG LYS A 79 12.105 -5.109 -4.376 1.00 0.00 C ATOM 875 CD LYS A 79 11.789 -6.516 -3.896 1.00 0.00 C ATOM 876 CE LYS A 79 10.907 -6.502 -2.658 1.00 0.00 C ATOM 877 NZ LYS A 79 11.404 -7.433 -1.609 1.00 0.00 N ATOM 0 H LYS A 79 13.592 -2.311 -3.184 1.00 0.00 H new ATOM 0 HA LYS A 79 12.657 -4.653 -1.940 1.00 0.00 H new ATOM 0 HB2 LYS A 79 13.800 -3.811 -4.525 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.198 -5.465 -4.107 1.00 0.00 H new ATOM 0 HG2 LYS A 79 11.354 -4.417 -3.996 1.00 0.00 H new ATOM 0 HG3 LYS A 79 12.050 -5.074 -5.464 1.00 0.00 H new ATOM 0 HD2 LYS A 79 11.290 -7.069 -4.692 1.00 0.00 H new ATOM 0 HD3 LYS A 79 12.718 -7.043 -3.676 1.00 0.00 H new ATOM 0 HE2 LYS A 79 10.865 -5.490 -2.254 1.00 0.00 H new ATOM 0 HE3 LYS A 79 9.889 -6.778 -2.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 10.774 -7.393 -0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.420 -8.403 -1.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 12.365 -7.155 -1.326 1.00 0.00 H new ATOM 891 N GLY A 80 15.869 -4.150 -1.756 1.00 0.00 N ATOM 892 CA GLY A 80 17.093 -4.649 -1.155 1.00 0.00 C ATOM 893 C GLY A 80 17.445 -3.926 0.130 1.00 0.00 C ATOM 894 O GLY A 80 18.614 -3.644 0.392 1.00 0.00 O ATOM 0 H GLY A 80 15.932 -3.205 -2.136 1.00 0.00 H new ATOM 0 HA2 GLY A 80 16.986 -5.714 -0.951 1.00 0.00 H new ATOM 0 HA3 GLY A 80 17.913 -4.541 -1.865 1.00 0.00 H new ATOM 898 N LYS A 81 16.430 -3.624 0.933 1.00 0.00 N ATOM 899 CA LYS A 81 16.637 -2.928 2.198 1.00 0.00 C ATOM 900 C LYS A 81 15.893 -3.622 3.332 1.00 0.00 C ATOM 901 O LYS A 81 14.901 -4.317 3.105 1.00 0.00 O ATOM 902 CB LYS A 81 16.176 -1.473 2.085 1.00 0.00 C ATOM 903 CG LYS A 81 16.794 -0.728 0.914 1.00 0.00 C ATOM 904 CD LYS A 81 18.038 0.038 1.335 1.00 0.00 C ATOM 905 CE LYS A 81 17.750 1.520 1.502 1.00 0.00 C ATOM 906 NZ LYS A 81 18.829 2.215 2.258 1.00 0.00 N ATOM 0 H LYS A 81 15.456 -3.850 0.730 1.00 0.00 H new ATOM 0 HA LYS A 81 17.703 -2.949 2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.091 -1.451 1.987 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.423 -0.950 3.009 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.051 -1.436 0.126 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.063 -0.036 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 81 18.416 -0.368 2.273 1.00 0.00 H new ATOM 0 HD3 LYS A 81 18.821 -0.100 0.589 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.640 1.981 0.520 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.801 1.649 2.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.449 3.084 2.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 19.187 1.589 3.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 19.605 2.458 1.610 1.00 0.00 H new ATOM 920 N THR A 82 16.377 -3.427 4.554 1.00 0.00 N ATOM 921 CA THR A 82 15.757 -4.033 5.727 1.00 0.00 C ATOM 922 C THR A 82 14.805 -3.050 6.402 1.00 0.00 C ATOM 923 O THR A 82 14.747 -1.876 6.037 1.00 0.00 O ATOM 924 CB THR A 82 16.830 -4.486 6.718 1.00 0.00 C ATOM 925 OG1 THR A 82 17.986 -4.936 6.034 1.00 0.00 O ATOM 926 CG2 THR A 82 16.371 -5.602 7.630 1.00 0.00 C ATOM 0 H THR A 82 17.196 -2.854 4.758 1.00 0.00 H new ATOM 0 HA THR A 82 15.185 -4.902 5.401 1.00 0.00 H new ATOM 0 HB THR A 82 17.048 -3.609 7.328 1.00 0.00 H new ATOM 0 HG1 THR A 82 18.661 -5.220 6.685 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.180 -5.875 8.307 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.510 -5.268 8.209 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.091 -6.469 7.032 1.00 0.00 H new ATOM 934 N LYS A 83 14.060 -3.537 7.391 1.00 0.00 N ATOM 935 CA LYS A 83 13.109 -2.702 8.118 1.00 0.00 C ATOM 936 C LYS A 83 13.794 -1.467 8.696 1.00 0.00 C ATOM 937 O LYS A 83 13.228 -0.374 8.696 1.00 0.00 O ATOM 938 CB LYS A 83 12.447 -3.505 9.238 1.00 0.00 C ATOM 939 CG LYS A 83 13.419 -3.961 10.315 1.00 0.00 C ATOM 940 CD LYS A 83 12.696 -4.623 11.476 1.00 0.00 C ATOM 941 CE LYS A 83 13.570 -4.679 12.718 1.00 0.00 C ATOM 942 NZ LYS A 83 14.322 -5.960 12.812 1.00 0.00 N ATOM 0 H LYS A 83 14.097 -4.506 7.707 1.00 0.00 H new ATOM 0 HA LYS A 83 12.344 -2.372 7.415 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.667 -2.898 9.697 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.958 -4.379 8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 83 14.137 -4.660 9.886 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.987 -3.105 10.680 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.782 -4.073 11.698 1.00 0.00 H new ATOM 0 HD3 LYS A 83 12.399 -5.633 11.193 1.00 0.00 H new ATOM 0 HE2 LYS A 83 14.273 -3.846 12.705 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.948 -4.557 13.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.138 -6.404 13.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 14.014 -6.600 12.052 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 15.340 -5.773 12.715 1.00 0.00 H new ATOM 956 N VAL A 84 15.016 -1.649 9.185 1.00 0.00 N ATOM 957 CA VAL A 84 15.776 -0.549 9.765 1.00 0.00 C ATOM 958 C VAL A 84 16.168 0.467 8.698 1.00 0.00 C ATOM 959 O VAL A 84 16.118 1.675 8.928 1.00 0.00 O ATOM 960 CB VAL A 84 17.046 -1.054 10.473 1.00 0.00 C ATOM 961 CG1 VAL A 84 16.684 -1.945 11.651 1.00 0.00 C ATOM 962 CG2 VAL A 84 17.949 -1.791 9.497 1.00 0.00 C ATOM 0 H VAL A 84 15.500 -2.547 9.191 1.00 0.00 H new ATOM 0 HA VAL A 84 15.130 -0.069 10.500 1.00 0.00 H new ATOM 0 HB VAL A 84 17.592 -0.191 10.854 1.00 0.00 H new ATOM 0 HG11 VAL A 84 17.595 -2.292 12.138 1.00 0.00 H new ATOM 0 HG12 VAL A 84 16.084 -1.380 12.364 1.00 0.00 H new ATOM 0 HG13 VAL A 84 16.113 -2.803 11.296 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.841 -2.139 10.018 1.00 0.00 H new ATOM 0 HG22 VAL A 84 17.415 -2.645 9.081 1.00 0.00 H new ATOM 0 HG23 VAL A 84 18.240 -1.118 8.691 1.00 0.00 H new ATOM 972 N GLU A 85 16.559 -0.031 7.528 1.00 0.00 N ATOM 973 CA GLU A 85 16.958 0.834 6.425 1.00 0.00 C ATOM 974 C GLU A 85 15.762 1.616 5.893 1.00 0.00 C ATOM 975 O GLU A 85 15.831 2.832 5.715 1.00 0.00 O ATOM 976 CB GLU A 85 17.583 0.006 5.300 1.00 0.00 C ATOM 977 CG GLU A 85 18.849 -0.726 5.713 1.00 0.00 C ATOM 978 CD GLU A 85 20.096 0.115 5.522 1.00 0.00 C ATOM 979 OE1 GLU A 85 20.176 0.836 4.505 1.00 0.00 O ATOM 980 OE2 GLU A 85 20.993 0.051 6.388 1.00 0.00 O ATOM 0 H GLU A 85 16.608 -1.029 7.321 1.00 0.00 H new ATOM 0 HA GLU A 85 17.698 1.542 6.798 1.00 0.00 H new ATOM 0 HB2 GLU A 85 16.852 -0.721 4.947 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.811 0.663 4.461 1.00 0.00 H new ATOM 0 HG2 GLU A 85 18.770 -1.020 6.760 1.00 0.00 H new ATOM 0 HG3 GLU A 85 18.941 -1.643 5.131 1.00 0.00 H new ATOM 987 N VAL A 86 14.664 0.909 5.642 1.00 0.00 N ATOM 988 CA VAL A 86 13.450 1.537 5.134 1.00 0.00 C ATOM 989 C VAL A 86 12.881 2.525 6.146 1.00 0.00 C ATOM 990 O VAL A 86 12.497 3.640 5.792 1.00 0.00 O ATOM 991 CB VAL A 86 12.374 0.489 4.794 1.00 0.00 C ATOM 992 CG1 VAL A 86 12.845 -0.414 3.664 1.00 0.00 C ATOM 993 CG2 VAL A 86 12.011 -0.328 6.025 1.00 0.00 C ATOM 0 H VAL A 86 14.591 -0.099 5.782 1.00 0.00 H new ATOM 0 HA VAL A 86 13.725 2.070 4.224 1.00 0.00 H new ATOM 0 HB VAL A 86 11.478 1.013 4.460 1.00 0.00 H new ATOM 0 HG11 VAL A 86 12.071 -1.148 3.438 1.00 0.00 H new ATOM 0 HG12 VAL A 86 13.045 0.187 2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 86 13.757 -0.929 3.966 1.00 0.00 H new ATOM 0 HG21 VAL A 86 11.249 -1.062 5.763 1.00 0.00 H new ATOM 0 HG22 VAL A 86 12.898 -0.842 6.395 1.00 0.00 H new ATOM 0 HG23 VAL A 86 11.625 0.334 6.800 1.00 0.00 H new ATOM 1003 N ALA A 87 12.831 2.109 7.408 1.00 0.00 N ATOM 1004 CA ALA A 87 12.309 2.957 8.473 1.00 0.00 C ATOM 1005 C ALA A 87 13.096 4.259 8.572 1.00 0.00 C ATOM 1006 O ALA A 87 12.527 5.325 8.805 1.00 0.00 O ATOM 1007 CB ALA A 87 12.343 2.216 9.801 1.00 0.00 C ATOM 0 H ALA A 87 13.146 1.189 7.717 1.00 0.00 H new ATOM 0 HA ALA A 87 11.275 3.205 8.234 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.951 2.861 10.587 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.732 1.316 9.731 1.00 0.00 H new ATOM 0 HB3 ALA A 87 13.371 1.940 10.037 1.00 0.00 H new ATOM 1013 N LYS A 88 14.410 4.166 8.390 1.00 0.00 N ATOM 1014 CA LYS A 88 15.276 5.336 8.456 1.00 0.00 C ATOM 1015 C LYS A 88 15.127 6.194 7.204 1.00 0.00 C ATOM 1016 O LYS A 88 15.239 7.418 7.260 1.00 0.00 O ATOM 1017 CB LYS A 88 16.735 4.908 8.623 1.00 0.00 C ATOM 1018 CG LYS A 88 17.145 4.700 10.072 1.00 0.00 C ATOM 1019 CD LYS A 88 18.215 3.626 10.200 1.00 0.00 C ATOM 1020 CE LYS A 88 18.929 3.708 11.539 1.00 0.00 C ATOM 1021 NZ LYS A 88 19.834 2.546 11.758 1.00 0.00 N ATOM 0 H LYS A 88 14.897 3.291 8.196 1.00 0.00 H new ATOM 0 HA LYS A 88 14.977 5.930 9.320 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.899 3.983 8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 88 17.380 5.664 8.176 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.518 5.638 10.484 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.272 4.418 10.661 1.00 0.00 H new ATOM 0 HD2 LYS A 88 17.759 2.642 10.089 1.00 0.00 H new ATOM 0 HD3 LYS A 88 18.939 3.735 9.393 1.00 0.00 H new ATOM 0 HE2 LYS A 88 19.506 4.632 11.587 1.00 0.00 H new ATOM 0 HE3 LYS A 88 18.192 3.751 12.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 20.302 2.640 12.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 19.280 1.666 11.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 20.553 2.520 11.007 1.00 0.00 H new ATOM 1035 N MET A 89 14.871 5.543 6.073 1.00 0.00 N ATOM 1036 CA MET A 89 14.706 6.246 4.807 1.00 0.00 C ATOM 1037 C MET A 89 13.496 7.174 4.854 1.00 0.00 C ATOM 1038 O MET A 89 13.544 8.297 4.351 1.00 0.00 O ATOM 1039 CB MET A 89 14.551 5.245 3.660 1.00 0.00 C ATOM 1040 CG MET A 89 15.026 5.780 2.318 1.00 0.00 C ATOM 1041 SD MET A 89 16.119 4.634 1.455 1.00 0.00 S ATOM 1042 CE MET A 89 14.924 3.576 0.639 1.00 0.00 C ATOM 0 H MET A 89 14.774 4.530 6.008 1.00 0.00 H new ATOM 0 HA MET A 89 15.598 6.849 4.636 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.110 4.341 3.900 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.502 4.959 3.577 1.00 0.00 H new ATOM 0 HG2 MET A 89 14.161 5.992 1.690 1.00 0.00 H new ATOM 0 HG3 MET A 89 15.547 6.725 2.473 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.361 2.590 0.479 1.00 0.00 H new ATOM 0 HE2 MET A 89 14.035 3.482 1.263 1.00 0.00 H new ATOM 0 HE3 MET A 89 14.649 4.011 -0.322 1.00 0.00 H new ATOM 1052 N ILE A 90 12.414 6.696 5.460 1.00 0.00 N ATOM 1053 CA ILE A 90 11.193 7.484 5.573 1.00 0.00 C ATOM 1054 C ILE A 90 11.312 8.526 6.680 1.00 0.00 C ATOM 1055 O ILE A 90 10.958 9.690 6.494 1.00 0.00 O ATOM 1056 CB ILE A 90 9.970 6.591 5.857 1.00 0.00 C ATOM 1057 CG1 ILE A 90 9.915 5.435 4.856 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.687 7.410 5.804 1.00 0.00 C ATOM 1059 CD1 ILE A 90 9.859 5.887 3.413 1.00 0.00 C ATOM 0 H ILE A 90 12.358 5.768 5.880 1.00 0.00 H new ATOM 0 HA ILE A 90 11.053 7.986 4.616 1.00 0.00 H new ATOM 0 HB ILE A 90 10.067 6.175 6.860 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.791 4.802 4.996 1.00 0.00 H new ATOM 0 HG13 ILE A 90 9.040 4.821 5.070 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.834 6.763 6.007 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.729 8.201 6.553 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.579 7.853 4.814 1.00 0.00 H new ATOM 0 HD11 ILE A 90 9.822 5.015 2.760 1.00 0.00 H new ATOM 0 HD12 ILE A 90 8.968 6.496 3.257 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.746 6.476 3.182 1.00 0.00 H new ATOM 1071 N GLN A 91 11.813 8.100 7.834 1.00 0.00 N ATOM 1072 CA GLN A 91 11.980 8.993 8.973 1.00 0.00 C ATOM 1073 C GLN A 91 12.932 10.139 8.638 1.00 0.00 C ATOM 1074 O GLN A 91 12.859 11.212 9.235 1.00 0.00 O ATOM 1075 CB GLN A 91 12.505 8.218 10.183 1.00 0.00 C ATOM 1076 CG GLN A 91 11.458 7.334 10.840 1.00 0.00 C ATOM 1077 CD GLN A 91 11.192 7.716 12.283 1.00 0.00 C ATOM 1078 OE1 GLN A 91 10.721 8.816 12.571 1.00 0.00 O ATOM 1079 NE2 GLN A 91 11.495 6.806 13.202 1.00 0.00 N ATOM 0 H GLN A 91 12.111 7.140 8.005 1.00 0.00 H new ATOM 0 HA GLN A 91 11.004 9.416 9.214 1.00 0.00 H new ATOM 0 HB2 GLN A 91 13.346 7.600 9.871 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.885 8.925 10.920 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.528 7.397 10.274 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.787 6.296 10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 91 11.884 5.906 12.920 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.339 7.007 14.190 1.00 0.00 H new ATOM 1088 N GLU A 92 13.825 9.905 7.681 1.00 0.00 N ATOM 1089 CA GLU A 92 14.791 10.918 7.273 1.00 0.00 C ATOM 1090 C GLU A 92 14.202 11.841 6.210 1.00 0.00 C ATOM 1091 O GLU A 92 14.199 13.061 6.367 1.00 0.00 O ATOM 1092 CB GLU A 92 16.062 10.255 6.741 1.00 0.00 C ATOM 1093 CG GLU A 92 16.873 9.546 7.813 1.00 0.00 C ATOM 1094 CD GLU A 92 17.932 10.440 8.428 1.00 0.00 C ATOM 1095 OE1 GLU A 92 18.924 10.748 7.734 1.00 0.00 O ATOM 1096 OE2 GLU A 92 17.771 10.829 9.603 1.00 0.00 O ATOM 0 H GLU A 92 13.899 9.023 7.174 1.00 0.00 H new ATOM 0 HA GLU A 92 15.040 11.518 8.149 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.790 9.536 5.968 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.686 11.013 6.267 1.00 0.00 H new ATOM 0 HG2 GLU A 92 16.203 9.191 8.596 1.00 0.00 H new ATOM 0 HG3 GLU A 92 17.351 8.667 7.380 1.00 0.00 H new ATOM 1103 N VAL A 93 13.706 11.251 5.127 1.00 0.00 N ATOM 1104 CA VAL A 93 13.118 12.021 4.036 1.00 0.00 C ATOM 1105 C VAL A 93 11.995 12.924 4.541 1.00 0.00 C ATOM 1106 O VAL A 93 11.359 12.635 5.554 1.00 0.00 O ATOM 1107 CB VAL A 93 12.567 11.098 2.931 1.00 0.00 C ATOM 1108 CG1 VAL A 93 11.466 10.204 3.478 1.00 0.00 C ATOM 1109 CG2 VAL A 93 12.064 11.915 1.749 1.00 0.00 C ATOM 0 H VAL A 93 13.699 10.241 4.981 1.00 0.00 H new ATOM 0 HA VAL A 93 13.914 12.638 3.619 1.00 0.00 H new ATOM 0 HB VAL A 93 13.379 10.461 2.581 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.091 9.561 2.682 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.864 9.589 4.285 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.652 10.821 3.860 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.679 11.244 0.981 1.00 0.00 H new ATOM 0 HG22 VAL A 93 11.268 12.582 2.080 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.884 12.504 1.339 1.00 0.00 H new ATOM 1119 N LYS A 94 11.759 14.020 3.825 1.00 0.00 N ATOM 1120 CA LYS A 94 10.714 14.966 4.196 1.00 0.00 C ATOM 1121 C LYS A 94 9.873 15.347 2.982 1.00 0.00 C ATOM 1122 O LYS A 94 10.083 14.833 1.883 1.00 0.00 O ATOM 1123 CB LYS A 94 11.329 16.219 4.820 1.00 0.00 C ATOM 1124 CG LYS A 94 12.035 15.957 6.141 1.00 0.00 C ATOM 1125 CD LYS A 94 11.093 16.134 7.320 1.00 0.00 C ATOM 1126 CE LYS A 94 11.850 16.168 8.638 1.00 0.00 C ATOM 1127 NZ LYS A 94 12.306 17.543 8.982 1.00 0.00 N ATOM 0 H LYS A 94 12.278 14.274 2.985 1.00 0.00 H new ATOM 0 HA LYS A 94 10.066 14.486 4.929 1.00 0.00 H new ATOM 0 HB2 LYS A 94 12.040 16.653 4.117 1.00 0.00 H new ATOM 0 HB3 LYS A 94 10.544 16.959 4.977 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.438 14.944 6.145 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.881 16.637 6.244 1.00 0.00 H new ATOM 0 HD2 LYS A 94 10.528 17.058 7.200 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.370 15.318 7.335 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.210 15.788 9.434 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.712 15.504 8.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 12.818 17.523 9.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 12.938 17.896 8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 11.482 18.172 9.064 1.00 0.00 H new ATOM 1141 N GLY A 95 8.922 16.251 3.188 1.00 0.00 N ATOM 1142 CA GLY A 95 8.064 16.686 2.101 1.00 0.00 C ATOM 1143 C GLY A 95 7.185 15.567 1.574 1.00 0.00 C ATOM 1144 O GLY A 95 7.089 14.504 2.185 1.00 0.00 O ATOM 0 H GLY A 95 8.730 16.691 4.088 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.435 17.507 2.445 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.679 17.074 1.289 1.00 0.00 H new ATOM 1148 N GLU A 96 6.543 15.809 0.436 1.00 0.00 N ATOM 1149 CA GLU A 96 5.668 14.815 -0.173 1.00 0.00 C ATOM 1150 C GLU A 96 6.455 13.576 -0.590 1.00 0.00 C ATOM 1151 O GLU A 96 7.233 13.614 -1.542 1.00 0.00 O ATOM 1152 CB GLU A 96 4.952 15.409 -1.387 1.00 0.00 C ATOM 1153 CG GLU A 96 5.890 16.063 -2.388 1.00 0.00 C ATOM 1154 CD GLU A 96 5.712 17.568 -2.460 1.00 0.00 C ATOM 1155 OE1 GLU A 96 6.019 18.250 -1.460 1.00 0.00 O ATOM 1156 OE2 GLU A 96 5.268 18.063 -3.516 1.00 0.00 O ATOM 0 H GLU A 96 6.612 16.685 -0.083 1.00 0.00 H new ATOM 0 HA GLU A 96 4.927 14.519 0.570 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.391 14.621 -1.889 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.227 16.148 -1.045 1.00 0.00 H new ATOM 0 HG2 GLU A 96 6.921 15.836 -2.116 1.00 0.00 H new ATOM 0 HG3 GLU A 96 5.719 15.633 -3.375 1.00 0.00 H new ATOM 1163 N VAL A 97 6.249 12.479 0.133 1.00 0.00 N ATOM 1164 CA VAL A 97 6.938 11.229 -0.163 1.00 0.00 C ATOM 1165 C VAL A 97 6.081 10.327 -1.045 1.00 0.00 C ATOM 1166 O VAL A 97 4.858 10.286 -0.904 1.00 0.00 O ATOM 1167 CB VAL A 97 7.303 10.470 1.126 1.00 0.00 C ATOM 1168 CG1 VAL A 97 8.417 11.185 1.871 1.00 0.00 C ATOM 1169 CG2 VAL A 97 6.078 10.304 2.014 1.00 0.00 C ATOM 0 H VAL A 97 5.611 12.431 0.927 1.00 0.00 H new ATOM 0 HA VAL A 97 7.854 11.490 -0.693 1.00 0.00 H new ATOM 0 HB VAL A 97 7.661 9.478 0.851 1.00 0.00 H new ATOM 0 HG11 VAL A 97 8.660 10.633 2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 97 9.300 11.245 1.235 1.00 0.00 H new ATOM 0 HG13 VAL A 97 8.091 12.191 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 97 6.356 9.765 2.920 1.00 0.00 H new ATOM 0 HG22 VAL A 97 5.686 11.286 2.281 1.00 0.00 H new ATOM 0 HG23 VAL A 97 5.313 9.742 1.478 1.00 0.00 H new ATOM 1179 N THR A 98 6.730 9.608 -1.954 1.00 0.00 N ATOM 1180 CA THR A 98 6.025 8.707 -2.861 1.00 0.00 C ATOM 1181 C THR A 98 6.457 7.261 -2.641 1.00 0.00 C ATOM 1182 O THR A 98 7.538 6.855 -3.067 1.00 0.00 O ATOM 1183 CB THR A 98 6.279 9.112 -4.313 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.119 10.510 -4.479 1.00 0.00 O ATOM 1185 CG2 THR A 98 5.357 8.425 -5.297 1.00 0.00 C ATOM 0 H THR A 98 7.742 9.631 -2.083 1.00 0.00 H new ATOM 0 HA THR A 98 4.958 8.783 -2.650 1.00 0.00 H new ATOM 0 HB THR A 98 7.303 8.803 -4.523 1.00 0.00 H new ATOM 0 HG1 THR A 98 5.180 10.711 -4.677 1.00 0.00 H new ATOM 0 HG21 THR A 98 5.591 8.758 -6.308 1.00 0.00 H new ATOM 0 HG22 THR A 98 5.492 7.346 -5.230 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.323 8.676 -5.063 1.00 0.00 H new ATOM 1193 N ILE A 99 5.603 6.489 -1.978 1.00 0.00 N ATOM 1194 CA ILE A 99 5.894 5.087 -1.704 1.00 0.00 C ATOM 1195 C ILE A 99 5.304 4.186 -2.785 1.00 0.00 C ATOM 1196 O ILE A 99 4.114 4.262 -3.088 1.00 0.00 O ATOM 1197 CB ILE A 99 5.347 4.656 -0.328 1.00 0.00 C ATOM 1198 CG1 ILE A 99 5.913 5.556 0.773 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.684 3.197 -0.049 1.00 0.00 C ATOM 1200 CD1 ILE A 99 5.215 6.894 0.879 1.00 0.00 C ATOM 0 H ILE A 99 4.704 6.811 -1.620 1.00 0.00 H new ATOM 0 HA ILE A 99 6.979 4.981 -1.699 1.00 0.00 H new ATOM 0 HB ILE A 99 4.262 4.760 -0.340 1.00 0.00 H new ATOM 0 HG12 ILE A 99 5.836 5.039 1.729 1.00 0.00 H new ATOM 0 HG13 ILE A 99 6.974 5.723 0.585 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.289 2.913 0.926 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.238 2.567 -0.819 1.00 0.00 H new ATOM 0 HG23 ILE A 99 6.766 3.066 -0.055 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.668 7.479 1.679 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.314 7.432 -0.064 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.159 6.737 1.098 1.00 0.00 H new ATOM 1212 N HIS A 100 6.145 3.333 -3.362 1.00 0.00 N ATOM 1213 CA HIS A 100 5.709 2.418 -4.410 1.00 0.00 C ATOM 1214 C HIS A 100 5.247 1.091 -3.816 1.00 0.00 C ATOM 1215 O HIS A 100 6.057 0.308 -3.317 1.00 0.00 O ATOM 1216 CB HIS A 100 6.841 2.176 -5.409 1.00 0.00 C ATOM 1217 CG HIS A 100 7.444 3.436 -5.950 1.00 0.00 C ATOM 1218 ND1 HIS A 100 7.665 3.648 -7.295 1.00 0.00 N ATOM 1219 CD2 HIS A 100 7.874 4.555 -5.319 1.00 0.00 C ATOM 1220 CE1 HIS A 100 8.206 4.841 -7.467 1.00 0.00 C ATOM 1221 NE2 HIS A 100 8.340 5.411 -6.285 1.00 0.00 N ATOM 0 H HIS A 100 7.133 3.257 -3.121 1.00 0.00 H new ATOM 0 HA HIS A 100 4.867 2.876 -4.930 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.621 1.588 -4.926 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.461 1.580 -6.239 1.00 0.00 H new ATOM 0 HD1 HIS A 100 7.445 2.987 -8.040 1.00 0.00 H new ATOM 0 HD2 HIS A 100 7.854 4.739 -4.255 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.490 5.276 -8.414 1.00 0.00 H new ATOM 1230 N TYR A 101 3.942 0.845 -3.874 1.00 0.00 N ATOM 1231 CA TYR A 101 3.374 -0.388 -3.342 1.00 0.00 C ATOM 1232 C TYR A 101 2.739 -1.217 -4.454 1.00 0.00 C ATOM 1233 O TYR A 101 2.530 -0.728 -5.564 1.00 0.00 O ATOM 1234 CB TYR A 101 2.332 -0.073 -2.266 1.00 0.00 C ATOM 1235 CG TYR A 101 1.133 0.687 -2.787 1.00 0.00 C ATOM 1236 CD1 TYR A 101 0.064 0.019 -3.371 1.00 0.00 C ATOM 1237 CD2 TYR A 101 1.070 2.071 -2.695 1.00 0.00 C ATOM 1238 CE1 TYR A 101 -1.034 0.710 -3.849 1.00 0.00 C ATOM 1239 CE2 TYR A 101 -0.024 2.769 -3.169 1.00 0.00 C ATOM 1240 CZ TYR A 101 -1.072 2.084 -3.744 1.00 0.00 C ATOM 1241 OH TYR A 101 -2.164 2.775 -4.219 1.00 0.00 O ATOM 0 H TYR A 101 3.259 1.482 -4.284 1.00 0.00 H new ATOM 0 HA TYR A 101 4.182 -0.968 -2.896 1.00 0.00 H new ATOM 0 HB2 TYR A 101 1.993 -1.006 -1.817 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.804 0.509 -1.474 1.00 0.00 H new ATOM 0 HD1 TYR A 101 0.091 -1.058 -3.453 1.00 0.00 H new ATOM 0 HD2 TYR A 101 1.890 2.611 -2.245 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.857 0.177 -4.302 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -0.057 3.846 -3.089 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.963 2.213 -4.147 1.00 0.00 H new ATOM 1251 N ASN A 102 2.435 -2.474 -4.149 1.00 0.00 N ATOM 1252 CA ASN A 102 1.825 -3.372 -5.125 1.00 0.00 C ATOM 1253 C ASN A 102 0.552 -3.998 -4.565 1.00 0.00 C ATOM 1254 O ASN A 102 0.511 -4.423 -3.411 1.00 0.00 O ATOM 1255 CB ASN A 102 2.811 -4.469 -5.526 1.00 0.00 C ATOM 1256 CG ASN A 102 4.168 -3.914 -5.917 1.00 0.00 C ATOM 1257 OD1 ASN A 102 4.301 -3.219 -6.923 1.00 0.00 O ATOM 1258 ND2 ASN A 102 5.184 -4.219 -5.118 1.00 0.00 N ATOM 0 H ASN A 102 2.601 -2.895 -3.235 1.00 0.00 H new ATOM 0 HA ASN A 102 1.565 -2.787 -6.007 1.00 0.00 H new ATOM 0 HB2 ASN A 102 2.932 -5.166 -4.696 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.399 -5.036 -6.361 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.120 -3.873 -5.329 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.028 -4.799 -4.293 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.486 -4.053 -5.394 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.761 -4.630 -4.984 1.00 0.00 C ATOM 1267 C LYS A 103 -1.843 -6.099 -5.382 1.00 0.00 C ATOM 1268 O LYS A 103 -1.615 -6.453 -6.538 1.00 0.00 O ATOM 1269 CB LYS A 103 -2.923 -3.854 -5.610 1.00 0.00 C ATOM 1270 CG LYS A 103 -3.266 -2.571 -4.870 1.00 0.00 C ATOM 1271 CD LYS A 103 -4.724 -2.545 -4.440 1.00 0.00 C ATOM 1272 CE LYS A 103 -5.084 -1.231 -3.767 1.00 0.00 C ATOM 1273 NZ LYS A 103 -5.262 -0.132 -4.754 1.00 0.00 N ATOM 0 H LYS A 103 -0.469 -3.705 -6.353 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.831 -4.560 -3.899 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.673 -3.612 -6.643 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.804 -4.495 -5.637 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -2.626 -2.474 -3.993 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -3.060 -1.714 -5.512 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -5.363 -2.696 -5.310 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -4.917 -3.371 -3.755 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.003 -1.356 -3.194 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -4.301 -0.960 -3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.507 0.747 -4.255 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.378 0.005 -5.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -6.026 -0.379 -5.415 1.00 0.00 H new ATOM 1287 N LEU A 104 -2.171 -6.952 -4.417 1.00 0.00 N ATOM 1288 CA LEU A 104 -2.283 -8.384 -4.667 1.00 0.00 C ATOM 1289 C LEU A 104 -3.345 -9.013 -3.772 1.00 0.00 C ATOM 1290 O LEU A 104 -3.992 -8.326 -2.982 1.00 0.00 O ATOM 1291 CB LEU A 104 -0.934 -9.069 -4.436 1.00 0.00 C ATOM 1292 CG LEU A 104 -0.217 -8.666 -3.145 1.00 0.00 C ATOM 1293 CD1 LEU A 104 0.673 -9.798 -2.655 1.00 0.00 C ATOM 1294 CD2 LEU A 104 0.599 -7.401 -3.363 1.00 0.00 C ATOM 0 H LEU A 104 -2.364 -6.676 -3.454 1.00 0.00 H new ATOM 0 HA LEU A 104 -2.582 -8.523 -5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.088 -10.148 -4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -0.282 -8.848 -5.281 1.00 0.00 H new ATOM 0 HG LEU A 104 -0.968 -8.464 -2.381 1.00 0.00 H new ATOM 0 HD11 LEU A 104 1.175 -9.494 -1.736 1.00 0.00 H new ATOM 0 HD12 LEU A 104 0.065 -10.681 -2.461 1.00 0.00 H new ATOM 0 HD13 LEU A 104 1.418 -10.031 -3.416 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.102 -7.128 -2.435 1.00 0.00 H new ATOM 0 HD22 LEU A 104 1.342 -7.577 -4.141 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -0.062 -6.590 -3.669 1.00 0.00 H new ATOM 1307 N GLU B 121 7.388 -8.575 14.692 1.00 0.00 N ATOM 1308 CA GLU B 121 8.165 -7.356 14.870 1.00 0.00 C ATOM 1309 C GLU B 121 8.092 -6.479 13.624 1.00 0.00 C ATOM 1310 O GLU B 121 8.584 -6.854 12.559 1.00 0.00 O ATOM 1311 CB GLU B 121 9.622 -7.695 15.186 1.00 0.00 C ATOM 1312 CG GLU B 121 10.464 -6.483 15.553 1.00 0.00 C ATOM 1313 CD GLU B 121 11.915 -6.838 15.813 1.00 0.00 C ATOM 1314 OE1 GLU B 121 12.178 -7.976 16.253 1.00 0.00 O ATOM 1315 OE2 GLU B 121 12.788 -5.977 15.575 1.00 0.00 O ATOM 0 HA GLU B 121 7.740 -6.803 15.708 1.00 0.00 H new ATOM 0 HB2 GLU B 121 9.650 -8.409 16.009 1.00 0.00 H new ATOM 0 HB3 GLU B 121 10.067 -8.188 14.322 1.00 0.00 H new ATOM 0 HG2 GLU B 121 10.412 -5.751 14.747 1.00 0.00 H new ATOM 0 HG3 GLU B 121 10.045 -6.009 16.441 1.00 0.00 H new ATOM 1322 N SER B 122 7.475 -5.311 13.764 1.00 0.00 N ATOM 1323 CA SER B 122 7.337 -4.381 12.649 1.00 0.00 C ATOM 1324 C SER B 122 7.665 -2.956 13.087 1.00 0.00 C ATOM 1325 O SER B 122 7.475 -2.593 14.249 1.00 0.00 O ATOM 1326 CB SER B 122 5.918 -4.438 12.083 1.00 0.00 C ATOM 1327 OG SER B 122 5.710 -5.632 11.348 1.00 0.00 O ATOM 0 H SER B 122 7.062 -4.986 14.638 1.00 0.00 H new ATOM 0 HA SER B 122 8.043 -4.676 11.872 1.00 0.00 H new ATOM 0 HB2 SER B 122 5.196 -4.378 12.897 1.00 0.00 H new ATOM 0 HB3 SER B 122 5.745 -3.576 11.439 1.00 0.00 H new ATOM 0 HG SER B 122 4.979 -6.143 11.754 1.00 0.00 H new ATOM 1333 N VAL B 123 8.157 -2.154 12.150 1.00 0.00 N ATOM 1334 CA VAL B 123 8.512 -0.770 12.438 1.00 0.00 C ATOM 1335 C VAL B 123 7.501 0.196 11.827 1.00 0.00 C ATOM 1336 O VAL B 123 7.156 0.086 10.650 1.00 0.00 O ATOM 1337 CB VAL B 123 9.917 -0.426 11.906 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.347 0.951 12.385 1.00 0.00 C ATOM 1339 CG2 VAL B 123 10.921 -1.486 12.333 1.00 0.00 C ATOM 0 H VAL B 123 8.319 -2.439 11.184 1.00 0.00 H new ATOM 0 HA VAL B 123 8.506 -0.663 13.523 1.00 0.00 H new ATOM 0 HB VAL B 123 9.881 -0.410 10.817 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.341 1.176 11.999 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.640 1.699 12.025 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.368 0.967 13.475 1.00 0.00 H new ATOM 0 HG21 VAL B 123 11.908 -1.228 11.949 1.00 0.00 H new ATOM 0 HG22 VAL B 123 10.957 -1.536 13.421 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.619 -2.455 11.935 1.00 0.00 H new ATOM 1349 N LYS B 124 7.028 1.139 12.634 1.00 0.00 N ATOM 1350 CA LYS B 124 6.057 2.124 12.174 1.00 0.00 C ATOM 1351 C LYS B 124 6.732 3.458 11.878 1.00 0.00 C ATOM 1352 O LYS B 124 7.306 4.086 12.769 1.00 0.00 O ATOM 1353 CB LYS B 124 4.958 2.316 13.220 1.00 0.00 C ATOM 1354 CG LYS B 124 3.618 2.725 12.630 1.00 0.00 C ATOM 1355 CD LYS B 124 3.547 4.227 12.400 1.00 0.00 C ATOM 1356 CE LYS B 124 3.443 4.988 13.713 1.00 0.00 C ATOM 1357 NZ LYS B 124 2.364 6.012 13.676 1.00 0.00 N ATOM 0 H LYS B 124 7.302 1.242 13.611 1.00 0.00 H new ATOM 0 HA LYS B 124 5.610 1.752 11.252 1.00 0.00 H new ATOM 0 HB2 LYS B 124 4.832 1.387 13.776 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.277 3.075 13.935 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.460 2.203 11.686 1.00 0.00 H new ATOM 0 HG3 LYS B 124 2.815 2.420 13.301 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.433 4.555 11.857 1.00 0.00 H new ATOM 0 HD3 LYS B 124 2.686 4.460 11.774 1.00 0.00 H new ATOM 0 HE2 LYS B 124 3.250 4.287 14.525 1.00 0.00 H new ATOM 0 HE3 LYS B 124 4.396 5.472 13.929 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 2.325 6.509 14.589 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 2.560 6.696 12.918 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 1.451 5.548 13.495 1.00 0.00 H new ATOM 1371 N ILE B 125 6.661 3.887 10.622 1.00 0.00 N ATOM 1372 CA ILE B 125 7.267 5.147 10.209 1.00 0.00 C ATOM 1373 C ILE B 125 6.307 5.963 9.350 1.00 0.00 C ATOM 1374 O ILE B 125 5.096 5.659 9.365 1.00 0.00 O ATOM 1375 CB ILE B 125 8.571 4.914 9.423 1.00 0.00 C ATOM 1376 CG1 ILE B 125 8.353 3.864 8.332 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.688 4.488 10.363 1.00 0.00 C ATOM 1378 CD1 ILE B 125 7.589 4.385 7.136 1.00 0.00 C ATOM 1379 OXT ILE B 125 6.776 6.898 8.667 1.00 0.00 O ATOM 0 H ILE B 125 6.190 3.380 9.873 1.00 0.00 H new ATOM 0 HA ILE B 125 7.496 5.701 11.120 1.00 0.00 H new ATOM 0 HB ILE B 125 8.863 5.850 8.946 1.00 0.00 H new ATOM 0 HG12 ILE B 125 9.322 3.491 8.000 1.00 0.00 H new ATOM 0 HG13 ILE B 125 7.814 3.017 8.757 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.603 4.327 9.792 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.856 5.268 11.105 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.407 3.563 10.866 1.00 0.00 H new ATOM 0 HD11 ILE B 125 7.472 3.587 6.403 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.606 4.732 7.455 1.00 0.00 H new ATOM 0 HD13 ILE B 125 8.137 5.213 6.686 1.00 0.00 H new