USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=18 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 24 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 98 THR OG1 : rot 180:sc= -0.319 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 152:sc= -2.41! (180deg=-3.43!) USER MOD Single : A 30 GLN : amide:sc= -0.0175 X(o=-0.017,f=0) USER MOD Single : A 31 ASN : amide:sc= -0.0172 X(o=-0.017,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.214 USER MOD Single : A 48 TYR OH : rot -77:sc= 0.834 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 ASN : amide:sc= -0.482 X(o=-0.48,f=0) USER MOD Single : A 56 THR OG1 : rot -127:sc= 1.08 USER MOD Single : A 63 THR OG1 : rot -140:sc= 0 USER MOD Single : A 71 THR OG1 : rot -51:sc= 0.499 USER MOD Single : A 74 ASN : amide:sc= -0.116 K(o=-0.12,f=-2.1!) USER MOD Single : A 77 SER OG : rot 44:sc= 0.0581 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ -119:sc= 0.245 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ -154:sc=-0.00337 (180deg=-0.315) USER MOD Single : A 89 MET CE :methyl -161:sc= -1.42 (180deg=-2.13) USER MOD Single : A 91 GLN : amide:sc= -0.638 K(o=-0.64,f=-2.6!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 HIS : no HE2:sc= -2.14 K(o=-2.1,f=-2.8!) USER MOD Single : A 101 TYR OH : rot 180:sc= -0.424 USER MOD Single : A 102 ASN : amide:sc= -2.11! C(o=-2.1!,f=-3.9!) USER MOD Single : A 103 LYS NZ :NH3+ -118:sc= 0.575 (180deg=0) USER MOD Single : B 122 SER OG : rot -24:sc= 0.398 USER MOD Single : B 124 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0155) USER MOD ----------------------------------------------------------------- ATOM 15 N VAL A 19 -0.761 -5.561 -8.718 1.00 0.00 N ATOM 16 CA VAL A 19 -0.728 -4.337 -9.509 1.00 0.00 C ATOM 17 C VAL A 19 0.048 -3.236 -8.785 1.00 0.00 C ATOM 18 O VAL A 19 -0.494 -2.554 -7.915 1.00 0.00 O ATOM 19 CB VAL A 19 -2.153 -3.836 -9.824 1.00 0.00 C ATOM 20 CG1 VAL A 19 -2.925 -3.573 -8.540 1.00 0.00 C ATOM 21 CG2 VAL A 19 -2.106 -2.586 -10.697 1.00 0.00 C ATOM 0 HA VAL A 19 -0.222 -4.573 -10.445 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.675 -4.615 -10.380 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.927 -3.220 -8.784 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.995 -4.495 -7.962 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -2.407 -2.815 -7.953 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.122 -2.250 -10.907 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.564 -1.798 -10.175 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -1.599 -2.816 -11.634 1.00 0.00 H new ATOM 31 N PRO A 20 1.335 -3.048 -9.133 1.00 0.00 N ATOM 32 CA PRO A 20 2.178 -2.026 -8.507 1.00 0.00 C ATOM 33 C PRO A 20 1.518 -0.650 -8.499 1.00 0.00 C ATOM 34 O PRO A 20 0.587 -0.394 -9.263 1.00 0.00 O ATOM 35 CB PRO A 20 3.429 -2.013 -9.388 1.00 0.00 C ATOM 36 CG PRO A 20 3.493 -3.378 -9.975 1.00 0.00 C ATOM 37 CD PRO A 20 2.065 -3.817 -10.158 1.00 0.00 C ATOM 0 HA PRO A 20 2.378 -2.249 -7.459 1.00 0.00 H new ATOM 0 HB2 PRO A 20 3.358 -1.251 -10.164 1.00 0.00 H new ATOM 0 HB3 PRO A 20 4.322 -1.791 -8.804 1.00 0.00 H new ATOM 0 HG2 PRO A 20 4.024 -3.369 -10.927 1.00 0.00 H new ATOM 0 HG3 PRO A 20 4.030 -4.061 -9.317 1.00 0.00 H new ATOM 0 HD2 PRO A 20 1.702 -3.594 -11.161 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.953 -4.891 -10.010 1.00 0.00 H new ATOM 45 N GLY A 21 2.008 0.229 -7.632 1.00 0.00 N ATOM 46 CA GLY A 21 1.456 1.567 -7.540 1.00 0.00 C ATOM 47 C GLY A 21 2.338 2.504 -6.739 1.00 0.00 C ATOM 48 O GLY A 21 2.801 2.154 -5.654 1.00 0.00 O ATOM 0 H GLY A 21 2.778 0.038 -6.991 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.320 1.970 -8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 21 0.469 1.519 -7.079 1.00 0.00 H new ATOM 52 N LYS A 22 2.575 3.697 -7.277 1.00 0.00 N ATOM 53 CA LYS A 22 3.411 4.685 -6.605 1.00 0.00 C ATOM 54 C LYS A 22 2.580 5.874 -6.133 1.00 0.00 C ATOM 55 O LYS A 22 2.266 6.772 -6.913 1.00 0.00 O ATOM 56 CB LYS A 22 4.522 5.164 -7.540 1.00 0.00 C ATOM 57 CG LYS A 22 4.009 5.734 -8.854 1.00 0.00 C ATOM 58 CD LYS A 22 4.563 7.125 -9.116 1.00 0.00 C ATOM 59 CE LYS A 22 5.928 7.063 -9.785 1.00 0.00 C ATOM 60 NZ LYS A 22 5.817 6.999 -11.268 1.00 0.00 N ATOM 0 H LYS A 22 2.200 4.002 -8.175 1.00 0.00 H new ATOM 0 HA LYS A 22 3.859 4.210 -5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.112 5.925 -7.029 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.192 4.330 -7.752 1.00 0.00 H new ATOM 0 HG2 LYS A 22 4.288 5.071 -9.673 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.920 5.774 -8.833 1.00 0.00 H new ATOM 0 HD2 LYS A 22 3.871 7.680 -9.749 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.642 7.670 -8.175 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.511 7.939 -9.502 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.470 6.189 -9.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.768 6.958 -11.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.283 6.149 -11.540 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.322 7.845 -11.616 1.00 0.00 H new ATOM 74 N VAL A 23 2.229 5.871 -4.852 1.00 0.00 N ATOM 75 CA VAL A 23 1.437 6.950 -4.275 1.00 0.00 C ATOM 76 C VAL A 23 2.333 8.000 -3.625 1.00 0.00 C ATOM 77 O VAL A 23 3.320 7.667 -2.969 1.00 0.00 O ATOM 78 CB VAL A 23 0.438 6.418 -3.228 1.00 0.00 C ATOM 79 CG1 VAL A 23 1.172 5.758 -2.070 1.00 0.00 C ATOM 80 CG2 VAL A 23 -0.465 7.537 -2.730 1.00 0.00 C ATOM 0 H VAL A 23 2.480 5.134 -4.194 1.00 0.00 H new ATOM 0 HA VAL A 23 0.880 7.408 -5.093 1.00 0.00 H new ATOM 0 HB VAL A 23 -0.188 5.664 -3.705 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.448 5.390 -1.343 1.00 0.00 H new ATOM 0 HG12 VAL A 23 1.767 4.925 -2.444 1.00 0.00 H new ATOM 0 HG13 VAL A 23 1.828 6.486 -1.592 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -1.162 7.141 -1.992 1.00 0.00 H new ATOM 0 HG22 VAL A 23 0.142 8.318 -2.273 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -1.022 7.955 -3.568 1.00 0.00 H new ATOM 90 N THR A 24 1.983 9.268 -3.813 1.00 0.00 N ATOM 91 CA THR A 24 2.759 10.366 -3.247 1.00 0.00 C ATOM 92 C THR A 24 2.072 10.941 -2.013 1.00 0.00 C ATOM 93 O THR A 24 1.243 11.845 -2.116 1.00 0.00 O ATOM 94 CB THR A 24 2.964 11.465 -4.290 1.00 0.00 C ATOM 95 OG1 THR A 24 3.423 10.917 -5.513 1.00 0.00 O ATOM 96 CG2 THR A 24 3.958 12.522 -3.857 1.00 0.00 C ATOM 0 H THR A 24 1.168 9.561 -4.352 1.00 0.00 H new ATOM 0 HA THR A 24 3.731 9.973 -2.948 1.00 0.00 H new ATOM 0 HB THR A 24 1.988 11.935 -4.411 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.546 11.636 -6.168 1.00 0.00 H new ATOM 0 HG21 THR A 24 4.057 13.272 -4.642 1.00 0.00 H new ATOM 0 HG22 THR A 24 3.607 12.999 -2.942 1.00 0.00 H new ATOM 0 HG23 THR A 24 4.927 12.057 -3.675 1.00 0.00 H new ATOM 104 N LEU A 25 2.426 10.413 -0.845 1.00 0.00 N ATOM 105 CA LEU A 25 1.847 10.879 0.410 1.00 0.00 C ATOM 106 C LEU A 25 2.685 12.005 1.005 1.00 0.00 C ATOM 107 O LEU A 25 3.788 12.284 0.536 1.00 0.00 O ATOM 108 CB LEU A 25 1.740 9.722 1.406 1.00 0.00 C ATOM 109 CG LEU A 25 1.056 8.463 0.869 1.00 0.00 C ATOM 110 CD1 LEU A 25 1.696 7.215 1.458 1.00 0.00 C ATOM 111 CD2 LEU A 25 -0.434 8.497 1.177 1.00 0.00 C ATOM 0 H LEU A 25 3.110 9.663 -0.742 1.00 0.00 H new ATOM 0 HA LEU A 25 0.848 11.263 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 25 2.743 9.457 1.740 1.00 0.00 H new ATOM 0 HB3 LEU A 25 1.193 10.068 2.283 1.00 0.00 H new ATOM 0 HG LEU A 25 1.184 8.435 -0.213 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.196 6.330 1.065 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.752 7.186 1.189 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.599 7.234 2.544 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -0.906 7.595 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -0.581 8.548 2.256 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -0.883 9.372 0.707 1.00 0.00 H new ATOM 123 N GLN A 26 2.155 12.651 2.038 1.00 0.00 N ATOM 124 CA GLN A 26 2.858 13.750 2.692 1.00 0.00 C ATOM 125 C GLN A 26 3.137 13.423 4.155 1.00 0.00 C ATOM 126 O GLN A 26 2.526 12.520 4.728 1.00 0.00 O ATOM 127 CB GLN A 26 2.040 15.038 2.591 1.00 0.00 C ATOM 128 CG GLN A 26 2.179 15.744 1.252 1.00 0.00 C ATOM 129 CD GLN A 26 0.862 15.848 0.506 1.00 0.00 C ATOM 130 OE1 GLN A 26 0.097 16.791 0.703 1.00 0.00 O ATOM 131 NE2 GLN A 26 0.595 14.875 -0.358 1.00 0.00 N ATOM 0 H GLN A 26 1.243 12.434 2.440 1.00 0.00 H new ATOM 0 HA GLN A 26 3.811 13.893 2.183 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.989 14.805 2.762 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.349 15.718 3.385 1.00 0.00 H new ATOM 0 HG2 GLN A 26 2.581 16.744 1.413 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.900 15.207 0.636 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.260 14.112 -0.489 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.275 14.891 -0.891 1.00 0.00 H new ATOM 140 N LYS A 27 4.063 14.165 4.753 1.00 0.00 N ATOM 141 CA LYS A 27 4.425 13.956 6.150 1.00 0.00 C ATOM 142 C LYS A 27 3.435 14.650 7.078 1.00 0.00 C ATOM 143 O LYS A 27 3.039 15.791 6.839 1.00 0.00 O ATOM 144 CB LYS A 27 5.840 14.476 6.415 1.00 0.00 C ATOM 145 CG LYS A 27 6.917 13.715 5.659 1.00 0.00 C ATOM 146 CD LYS A 27 7.572 12.659 6.534 1.00 0.00 C ATOM 147 CE LYS A 27 7.952 11.426 5.729 1.00 0.00 C ATOM 148 NZ LYS A 27 6.995 10.307 5.944 1.00 0.00 N ATOM 0 H LYS A 27 4.576 14.916 4.292 1.00 0.00 H new ATOM 0 HA LYS A 27 4.395 12.885 6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 27 5.889 15.529 6.139 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.046 14.416 7.484 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.480 13.241 4.780 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.674 14.413 5.301 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.462 13.076 7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 27 6.890 12.375 7.336 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.982 11.679 4.669 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.955 11.105 6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 6.973 9.702 5.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.298 9.744 6.765 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.045 10.692 6.119 1.00 0.00 H new ATOM 162 N ASP A 28 3.038 13.955 8.141 1.00 0.00 N ATOM 163 CA ASP A 28 2.094 14.507 9.105 1.00 0.00 C ATOM 164 C ASP A 28 2.783 15.507 10.028 1.00 0.00 C ATOM 165 O ASP A 28 3.962 15.812 9.858 1.00 0.00 O ATOM 166 CB ASP A 28 1.461 13.385 9.930 1.00 0.00 C ATOM 167 CG ASP A 28 0.003 13.653 10.247 1.00 0.00 C ATOM 168 OD1 ASP A 28 -0.741 14.054 9.327 1.00 0.00 O ATOM 169 OD2 ASP A 28 -0.396 13.461 11.415 1.00 0.00 O ATOM 0 H ASP A 28 3.356 13.010 8.355 1.00 0.00 H new ATOM 0 HA ASP A 28 1.311 15.028 8.553 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.545 12.445 9.385 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.016 13.264 10.860 1.00 0.00 H new ATOM 174 N ALA A 29 2.037 16.012 11.006 1.00 0.00 N ATOM 175 CA ALA A 29 2.576 16.976 11.958 1.00 0.00 C ATOM 176 C ALA A 29 3.763 16.396 12.718 1.00 0.00 C ATOM 177 O ALA A 29 4.652 17.128 13.154 1.00 0.00 O ATOM 178 CB ALA A 29 1.491 17.422 12.926 1.00 0.00 C ATOM 0 H ALA A 29 1.058 15.770 11.160 1.00 0.00 H new ATOM 0 HA ALA A 29 2.928 17.843 11.399 1.00 0.00 H new ATOM 0 HB1 ALA A 29 1.906 18.142 13.632 1.00 0.00 H new ATOM 0 HB2 ALA A 29 0.677 17.887 12.371 1.00 0.00 H new ATOM 0 HB3 ALA A 29 1.111 16.557 13.471 1.00 0.00 H new ATOM 184 N GLN A 30 3.771 15.076 12.875 1.00 0.00 N ATOM 185 CA GLN A 30 4.848 14.398 13.585 1.00 0.00 C ATOM 186 C GLN A 30 5.880 13.833 12.610 1.00 0.00 C ATOM 187 O GLN A 30 6.625 12.914 12.948 1.00 0.00 O ATOM 188 CB GLN A 30 4.284 13.272 14.453 1.00 0.00 C ATOM 189 CG GLN A 30 3.411 12.293 13.686 1.00 0.00 C ATOM 190 CD GLN A 30 2.015 12.173 14.266 1.00 0.00 C ATOM 191 OE1 GLN A 30 1.609 11.105 14.722 1.00 0.00 O ATOM 192 NE2 GLN A 30 1.272 13.275 14.253 1.00 0.00 N ATOM 0 H GLN A 30 3.044 14.455 12.520 1.00 0.00 H new ATOM 0 HA GLN A 30 5.342 15.131 14.223 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.111 12.728 14.910 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.701 13.707 15.265 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.341 12.612 12.646 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.886 11.312 13.687 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.649 14.140 13.865 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.325 13.256 14.631 1.00 0.00 H new ATOM 201 N ASN A 31 5.916 14.387 11.400 1.00 0.00 N ATOM 202 CA ASN A 31 6.858 13.933 10.382 1.00 0.00 C ATOM 203 C ASN A 31 6.738 12.429 10.153 1.00 0.00 C ATOM 204 O ASN A 31 7.734 11.744 9.918 1.00 0.00 O ATOM 205 CB ASN A 31 8.289 14.286 10.788 1.00 0.00 C ATOM 206 CG ASN A 31 9.189 14.529 9.592 1.00 0.00 C ATOM 207 OD1 ASN A 31 9.206 15.622 9.027 1.00 0.00 O ATOM 208 ND2 ASN A 31 9.939 13.506 9.199 1.00 0.00 N ATOM 0 H ASN A 31 5.306 15.148 11.102 1.00 0.00 H new ATOM 0 HA ASN A 31 6.615 14.442 9.449 1.00 0.00 H new ATOM 0 HB2 ASN A 31 8.276 15.177 11.416 1.00 0.00 H new ATOM 0 HB3 ASN A 31 8.702 13.477 11.391 1.00 0.00 H new ATOM 0 HD21 ASN A 31 10.562 13.609 8.398 1.00 0.00 H new ATOM 0 HD22 ASN A 31 9.892 12.618 9.698 1.00 0.00 H new ATOM 215 N LEU A 32 5.512 11.921 10.225 1.00 0.00 N ATOM 216 CA LEU A 32 5.261 10.498 10.026 1.00 0.00 C ATOM 217 C LEU A 32 3.933 10.275 9.310 1.00 0.00 C ATOM 218 O LEU A 32 2.869 10.592 9.842 1.00 0.00 O ATOM 219 CB LEU A 32 5.256 9.767 11.370 1.00 0.00 C ATOM 220 CG LEU A 32 6.579 9.811 12.138 1.00 0.00 C ATOM 221 CD1 LEU A 32 6.337 9.612 13.625 1.00 0.00 C ATOM 222 CD2 LEU A 32 7.538 8.756 11.605 1.00 0.00 C ATOM 0 H LEU A 32 4.677 12.473 10.420 1.00 0.00 H new ATOM 0 HA LEU A 32 6.061 10.097 9.404 1.00 0.00 H new ATOM 0 HB2 LEU A 32 4.475 10.197 11.997 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.988 8.725 11.198 1.00 0.00 H new ATOM 0 HG LEU A 32 7.032 10.792 11.993 1.00 0.00 H new ATOM 0 HD11 LEU A 32 7.288 9.646 14.156 1.00 0.00 H new ATOM 0 HD12 LEU A 32 5.685 10.403 13.997 1.00 0.00 H new ATOM 0 HD13 LEU A 32 5.864 8.644 13.790 1.00 0.00 H new ATOM 0 HD21 LEU A 32 8.474 8.801 12.162 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.093 7.768 11.722 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.735 8.943 10.549 1.00 0.00 H new ATOM 234 N ILE A 33 4.002 9.728 8.101 1.00 0.00 N ATOM 235 CA ILE A 33 2.804 9.464 7.315 1.00 0.00 C ATOM 236 C ILE A 33 1.865 8.507 8.045 1.00 0.00 C ATOM 237 O ILE A 33 0.656 8.512 7.814 1.00 0.00 O ATOM 238 CB ILE A 33 3.149 8.876 5.934 1.00 0.00 C ATOM 239 CG1 ILE A 33 4.167 7.740 6.073 1.00 0.00 C ATOM 240 CG2 ILE A 33 3.685 9.964 5.014 1.00 0.00 C ATOM 241 CD1 ILE A 33 4.299 6.893 4.827 1.00 0.00 C ATOM 0 H ILE A 33 4.874 9.459 7.645 1.00 0.00 H new ATOM 0 HA ILE A 33 2.304 10.423 7.175 1.00 0.00 H new ATOM 0 HB ILE A 33 2.239 8.469 5.494 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.141 8.163 6.320 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.876 7.102 6.907 1.00 0.00 H new ATOM 0 HG21 ILE A 33 3.924 9.533 4.042 1.00 0.00 H new ATOM 0 HG22 ILE A 33 2.930 10.741 4.891 1.00 0.00 H new ATOM 0 HG23 ILE A 33 4.585 10.398 5.450 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.036 6.108 4.997 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.336 6.441 4.591 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.620 7.519 3.994 1.00 0.00 H new ATOM 253 N GLY A 34 2.428 7.688 8.927 1.00 0.00 N ATOM 254 CA GLY A 34 1.626 6.740 9.677 1.00 0.00 C ATOM 255 C GLY A 34 1.452 5.421 8.952 1.00 0.00 C ATOM 256 O GLY A 34 0.359 5.097 8.489 1.00 0.00 O ATOM 0 H GLY A 34 3.426 7.664 9.136 1.00 0.00 H new ATOM 0 HA2 GLY A 34 2.094 6.559 10.645 1.00 0.00 H new ATOM 0 HA3 GLY A 34 0.646 7.174 9.873 1.00 0.00 H new ATOM 260 N ILE A 35 2.535 4.656 8.855 1.00 0.00 N ATOM 261 CA ILE A 35 2.497 3.363 8.182 1.00 0.00 C ATOM 262 C ILE A 35 3.462 2.379 8.834 1.00 0.00 C ATOM 263 O ILE A 35 4.538 2.762 9.295 1.00 0.00 O ATOM 264 CB ILE A 35 2.844 3.493 6.685 1.00 0.00 C ATOM 265 CG1 ILE A 35 4.251 4.068 6.508 1.00 0.00 C ATOM 266 CG2 ILE A 35 1.817 4.362 5.976 1.00 0.00 C ATOM 267 CD1 ILE A 35 4.878 3.732 5.173 1.00 0.00 C ATOM 0 H ILE A 35 3.448 4.909 9.233 1.00 0.00 H new ATOM 0 HA ILE A 35 1.478 2.988 8.276 1.00 0.00 H new ATOM 0 HB ILE A 35 2.822 2.499 6.237 1.00 0.00 H new ATOM 0 HG12 ILE A 35 4.208 5.152 6.618 1.00 0.00 H new ATOM 0 HG13 ILE A 35 4.891 3.692 7.306 1.00 0.00 H new ATOM 0 HG21 ILE A 35 2.076 4.444 4.920 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.829 3.911 6.073 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.808 5.355 6.425 1.00 0.00 H new ATOM 0 HD11 ILE A 35 5.874 4.172 5.118 1.00 0.00 H new ATOM 0 HD12 ILE A 35 4.953 2.650 5.068 1.00 0.00 H new ATOM 0 HD13 ILE A 35 4.259 4.132 4.370 1.00 0.00 H new ATOM 279 N SER A 36 3.071 1.110 8.869 1.00 0.00 N ATOM 280 CA SER A 36 3.903 0.072 9.465 1.00 0.00 C ATOM 281 C SER A 36 4.408 -0.895 8.397 1.00 0.00 C ATOM 282 O SER A 36 3.761 -1.094 7.370 1.00 0.00 O ATOM 283 CB SER A 36 3.117 -0.690 10.532 1.00 0.00 C ATOM 284 OG SER A 36 3.841 -1.817 10.995 1.00 0.00 O ATOM 0 H SER A 36 2.184 0.776 8.492 1.00 0.00 H new ATOM 0 HA SER A 36 4.763 0.551 9.933 1.00 0.00 H new ATOM 0 HB2 SER A 36 2.897 -0.027 11.369 1.00 0.00 H new ATOM 0 HB3 SER A 36 2.160 -1.013 10.121 1.00 0.00 H new ATOM 0 HG SER A 36 3.316 -2.285 11.678 1.00 0.00 H new ATOM 290 N ILE A 37 5.569 -1.491 8.649 1.00 0.00 N ATOM 291 CA ILE A 37 6.161 -2.437 7.709 1.00 0.00 C ATOM 292 C ILE A 37 6.874 -3.567 8.442 1.00 0.00 C ATOM 293 O ILE A 37 7.238 -3.433 9.610 1.00 0.00 O ATOM 294 CB ILE A 37 7.160 -1.740 6.766 1.00 0.00 C ATOM 295 CG1 ILE A 37 8.224 -0.997 7.574 1.00 0.00 C ATOM 296 CG2 ILE A 37 6.429 -0.785 5.833 1.00 0.00 C ATOM 297 CD1 ILE A 37 9.340 -1.891 8.069 1.00 0.00 C ATOM 0 H ILE A 37 6.118 -1.336 9.495 1.00 0.00 H new ATOM 0 HA ILE A 37 5.343 -2.850 7.119 1.00 0.00 H new ATOM 0 HB ILE A 37 7.656 -2.498 6.161 1.00 0.00 H new ATOM 0 HG12 ILE A 37 8.650 -0.205 6.958 1.00 0.00 H new ATOM 0 HG13 ILE A 37 7.749 -0.515 8.429 1.00 0.00 H new ATOM 0 HG21 ILE A 37 7.148 -0.300 5.173 1.00 0.00 H new ATOM 0 HG22 ILE A 37 5.706 -1.341 5.236 1.00 0.00 H new ATOM 0 HG23 ILE A 37 5.909 -0.029 6.421 1.00 0.00 H new ATOM 0 HD11 ILE A 37 10.058 -1.297 8.634 1.00 0.00 H new ATOM 0 HD12 ILE A 37 8.926 -2.668 8.712 1.00 0.00 H new ATOM 0 HD13 ILE A 37 9.841 -2.353 7.218 1.00 0.00 H new ATOM 309 N GLY A 38 7.072 -4.683 7.746 1.00 0.00 N ATOM 310 CA GLY A 38 7.742 -5.821 8.346 1.00 0.00 C ATOM 311 C GLY A 38 8.473 -6.668 7.324 1.00 0.00 C ATOM 312 O GLY A 38 7.860 -7.214 6.407 1.00 0.00 O ATOM 0 H GLY A 38 6.780 -4.819 6.778 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.451 -5.468 9.095 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.009 -6.437 8.867 1.00 0.00 H new ATOM 316 N GLY A 39 9.788 -6.777 7.481 1.00 0.00 N ATOM 317 CA GLY A 39 10.583 -7.564 6.556 1.00 0.00 C ATOM 318 C GLY A 39 12.004 -7.767 7.040 1.00 0.00 C ATOM 319 O GLY A 39 12.435 -7.139 8.008 1.00 0.00 O ATOM 0 H GLY A 39 10.318 -6.335 8.232 1.00 0.00 H new ATOM 0 HA2 GLY A 39 10.110 -8.535 6.411 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.600 -7.069 5.585 1.00 0.00 H new ATOM 414 N LEU A 47 10.305 -5.865 1.770 1.00 0.00 N ATOM 415 CA LEU A 47 9.621 -5.338 2.945 1.00 0.00 C ATOM 416 C LEU A 47 8.112 -5.303 2.725 1.00 0.00 C ATOM 417 O LEU A 47 7.641 -4.926 1.652 1.00 0.00 O ATOM 418 CB LEU A 47 10.138 -3.934 3.275 1.00 0.00 C ATOM 419 CG LEU A 47 11.002 -3.843 4.534 1.00 0.00 C ATOM 420 CD1 LEU A 47 10.181 -4.175 5.771 1.00 0.00 C ATOM 421 CD2 LEU A 47 12.204 -4.768 4.424 1.00 0.00 C ATOM 0 HA LEU A 47 9.830 -5.999 3.786 1.00 0.00 H new ATOM 0 HB2 LEU A 47 10.718 -3.568 2.428 1.00 0.00 H new ATOM 0 HB3 LEU A 47 9.284 -3.266 3.389 1.00 0.00 H new ATOM 0 HG LEU A 47 11.365 -2.820 4.629 1.00 0.00 H new ATOM 0 HD11 LEU A 47 10.813 -4.105 6.657 1.00 0.00 H new ATOM 0 HD12 LEU A 47 9.354 -3.470 5.859 1.00 0.00 H new ATOM 0 HD13 LEU A 47 9.787 -5.188 5.685 1.00 0.00 H new ATOM 0 HD21 LEU A 47 12.807 -4.690 5.329 1.00 0.00 H new ATOM 0 HD22 LEU A 47 11.862 -5.796 4.303 1.00 0.00 H new ATOM 0 HD23 LEU A 47 12.805 -4.482 3.561 1.00 0.00 H new ATOM 433 N TYR A 48 7.360 -5.700 3.747 1.00 0.00 N ATOM 434 CA TYR A 48 5.904 -5.713 3.663 1.00 0.00 C ATOM 435 C TYR A 48 5.302 -4.570 4.471 1.00 0.00 C ATOM 436 O TYR A 48 6.011 -3.855 5.181 1.00 0.00 O ATOM 437 CB TYR A 48 5.355 -7.051 4.162 1.00 0.00 C ATOM 438 CG TYR A 48 4.071 -7.470 3.482 1.00 0.00 C ATOM 439 CD1 TYR A 48 3.945 -7.416 2.100 1.00 0.00 C ATOM 440 CD2 TYR A 48 2.986 -7.920 4.224 1.00 0.00 C ATOM 441 CE1 TYR A 48 2.772 -7.797 1.476 1.00 0.00 C ATOM 442 CE2 TYR A 48 1.810 -8.304 3.607 1.00 0.00 C ATOM 443 CZ TYR A 48 1.708 -8.241 2.233 1.00 0.00 C ATOM 444 OH TYR A 48 0.541 -8.623 1.615 1.00 0.00 O ATOM 0 H TYR A 48 7.734 -6.016 4.642 1.00 0.00 H new ATOM 0 HA TYR A 48 5.625 -5.581 2.618 1.00 0.00 H new ATOM 0 HB2 TYR A 48 6.108 -7.824 4.006 1.00 0.00 H new ATOM 0 HB3 TYR A 48 5.183 -6.986 5.236 1.00 0.00 H new ATOM 0 HD1 TYR A 48 4.777 -7.071 1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 48 3.063 -7.971 5.300 1.00 0.00 H new ATOM 0 HE1 TYR A 48 2.689 -7.747 0.400 1.00 0.00 H new ATOM 0 HE2 TYR A 48 0.975 -8.652 4.198 1.00 0.00 H new ATOM 0 HH TYR A 48 0.035 -7.827 1.351 1.00 0.00 H new ATOM 454 N ILE A 49 3.988 -4.401 4.360 1.00 0.00 N ATOM 455 CA ILE A 49 3.288 -3.343 5.080 1.00 0.00 C ATOM 456 C ILE A 49 2.306 -3.923 6.091 1.00 0.00 C ATOM 457 O ILE A 49 1.840 -5.053 5.943 1.00 0.00 O ATOM 458 CB ILE A 49 2.529 -2.415 4.113 1.00 0.00 C ATOM 459 CG1 ILE A 49 3.452 -1.949 2.987 1.00 0.00 C ATOM 460 CG2 ILE A 49 1.954 -1.223 4.863 1.00 0.00 C ATOM 461 CD1 ILE A 49 2.727 -1.260 1.852 1.00 0.00 C ATOM 0 H ILE A 49 3.386 -4.984 3.778 1.00 0.00 H new ATOM 0 HA ILE A 49 4.045 -2.763 5.608 1.00 0.00 H new ATOM 0 HB ILE A 49 1.703 -2.973 3.671 1.00 0.00 H new ATOM 0 HG12 ILE A 49 4.196 -1.267 3.398 1.00 0.00 H new ATOM 0 HG13 ILE A 49 3.992 -2.810 2.592 1.00 0.00 H new ATOM 0 HG21 ILE A 49 1.421 -0.577 4.165 1.00 0.00 H new ATOM 0 HG22 ILE A 49 1.265 -1.574 5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 49 2.763 -0.662 5.330 1.00 0.00 H new ATOM 0 HD11 ILE A 49 3.446 -0.958 1.091 1.00 0.00 H new ATOM 0 HD12 ILE A 49 2.002 -1.946 1.414 1.00 0.00 H new ATOM 0 HD13 ILE A 49 2.209 -0.379 2.232 1.00 0.00 H new ATOM 473 N VAL A 50 1.995 -3.140 7.119 1.00 0.00 N ATOM 474 CA VAL A 50 1.067 -3.573 8.159 1.00 0.00 C ATOM 475 C VAL A 50 0.014 -2.500 8.427 1.00 0.00 C ATOM 476 O VAL A 50 0.144 -1.365 7.968 1.00 0.00 O ATOM 477 CB VAL A 50 1.803 -3.900 9.477 1.00 0.00 C ATOM 478 CG1 VAL A 50 0.952 -4.804 10.356 1.00 0.00 C ATOM 479 CG2 VAL A 50 3.154 -4.544 9.195 1.00 0.00 C ATOM 0 H VAL A 50 2.372 -2.202 7.255 1.00 0.00 H new ATOM 0 HA VAL A 50 0.581 -4.478 7.795 1.00 0.00 H new ATOM 0 HB VAL A 50 1.976 -2.966 10.011 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.488 -5.023 11.280 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.013 -4.303 10.591 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.745 -5.735 9.828 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.655 -4.766 10.137 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.007 -5.468 8.636 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.768 -3.860 8.610 1.00 0.00 H new ATOM 489 N GLN A 51 -1.031 -2.868 9.165 1.00 0.00 N ATOM 490 CA GLN A 51 -2.112 -1.939 9.492 1.00 0.00 C ATOM 491 C GLN A 51 -1.568 -0.583 9.938 1.00 0.00 C ATOM 492 O GLN A 51 -0.648 -0.509 10.754 1.00 0.00 O ATOM 493 CB GLN A 51 -3.000 -2.528 10.589 1.00 0.00 C ATOM 494 CG GLN A 51 -2.293 -2.684 11.928 1.00 0.00 C ATOM 495 CD GLN A 51 -3.173 -3.330 12.979 1.00 0.00 C ATOM 496 OE1 GLN A 51 -4.199 -2.775 13.374 1.00 0.00 O ATOM 497 NE2 GLN A 51 -2.775 -4.510 13.441 1.00 0.00 N ATOM 0 H GLN A 51 -1.153 -3.805 9.549 1.00 0.00 H new ATOM 0 HA GLN A 51 -2.703 -1.786 8.589 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -3.873 -1.888 10.721 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -3.365 -3.502 10.265 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -1.394 -3.285 11.792 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -1.971 -1.704 12.281 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -1.918 -4.934 13.086 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -3.326 -4.992 14.151 1.00 0.00 H new ATOM 506 N VAL A 52 -2.145 0.487 9.399 1.00 0.00 N ATOM 507 CA VAL A 52 -1.721 1.838 9.743 1.00 0.00 C ATOM 508 C VAL A 52 -2.433 2.333 10.997 1.00 0.00 C ATOM 509 O VAL A 52 -3.228 1.610 11.597 1.00 0.00 O ATOM 510 CB VAL A 52 -1.994 2.827 8.592 1.00 0.00 C ATOM 511 CG1 VAL A 52 -1.177 2.461 7.365 1.00 0.00 C ATOM 512 CG2 VAL A 52 -3.478 2.866 8.260 1.00 0.00 C ATOM 0 H VAL A 52 -2.907 0.443 8.723 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.648 1.793 9.927 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.691 3.822 8.917 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.384 3.171 6.565 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.116 2.492 7.612 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -1.444 1.456 7.037 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.650 3.570 7.445 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.809 1.873 7.958 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.039 3.184 9.139 1.00 0.00 H new ATOM 522 N PHE A 53 -2.145 3.569 11.385 1.00 0.00 N ATOM 523 CA PHE A 53 -2.759 4.162 12.564 1.00 0.00 C ATOM 524 C PHE A 53 -3.776 5.226 12.165 1.00 0.00 C ATOM 525 O PHE A 53 -3.576 5.958 11.199 1.00 0.00 O ATOM 526 CB PHE A 53 -1.688 4.768 13.473 1.00 0.00 C ATOM 527 CG PHE A 53 -0.845 3.736 14.164 1.00 0.00 C ATOM 528 CD1 PHE A 53 -0.071 2.852 13.430 1.00 0.00 C ATOM 529 CD2 PHE A 53 -0.831 3.645 15.547 1.00 0.00 C ATOM 530 CE1 PHE A 53 0.702 1.896 14.061 1.00 0.00 C ATOM 531 CE2 PHE A 53 -0.058 2.692 16.184 1.00 0.00 C ATOM 532 CZ PHE A 53 0.708 1.816 15.441 1.00 0.00 C ATOM 0 H PHE A 53 -1.489 4.180 10.899 1.00 0.00 H new ATOM 0 HA PHE A 53 -3.280 3.376 13.111 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -1.043 5.417 12.881 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.170 5.395 14.223 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.072 2.911 12.352 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.430 4.326 16.133 1.00 0.00 H new ATOM 0 HE1 PHE A 53 1.300 1.213 13.477 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -0.053 2.633 17.262 1.00 0.00 H new ATOM 0 HZ PHE A 53 1.311 1.070 15.937 1.00 0.00 H new ATOM 542 N ASP A 54 -4.872 5.298 12.911 1.00 0.00 N ATOM 543 CA ASP A 54 -5.925 6.266 12.628 1.00 0.00 C ATOM 544 C ASP A 54 -5.401 7.696 12.728 1.00 0.00 C ATOM 545 O ASP A 54 -4.382 7.954 13.370 1.00 0.00 O ATOM 546 CB ASP A 54 -7.096 6.073 13.594 1.00 0.00 C ATOM 547 CG ASP A 54 -7.731 4.703 13.463 1.00 0.00 C ATOM 548 OD1 ASP A 54 -8.289 4.408 12.385 1.00 0.00 O ATOM 549 OD2 ASP A 54 -7.672 3.926 14.439 1.00 0.00 O ATOM 0 H ASP A 54 -5.055 4.698 13.716 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.269 6.098 11.607 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -6.747 6.213 14.617 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -7.848 6.839 13.407 1.00 0.00 H new ATOM 554 N ASN A 55 -6.113 8.621 12.090 1.00 0.00 N ATOM 555 CA ASN A 55 -5.741 10.033 12.102 1.00 0.00 C ATOM 556 C ASN A 55 -4.426 10.280 11.362 1.00 0.00 C ATOM 557 O ASN A 55 -3.798 11.324 11.538 1.00 0.00 O ATOM 558 CB ASN A 55 -5.631 10.544 13.541 1.00 0.00 C ATOM 559 CG ASN A 55 -6.915 10.346 14.322 1.00 0.00 C ATOM 560 OD1 ASN A 55 -7.778 11.224 14.354 1.00 0.00 O ATOM 561 ND2 ASN A 55 -7.048 9.189 14.960 1.00 0.00 N ATOM 0 H ASN A 55 -6.957 8.416 11.555 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.527 10.581 11.582 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.817 10.025 14.047 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.375 11.604 13.529 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.890 9.000 15.503 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.308 8.489 14.907 1.00 0.00 H new ATOM 568 N THR A 56 -4.018 9.327 10.529 1.00 0.00 N ATOM 569 CA THR A 56 -2.783 9.469 9.765 1.00 0.00 C ATOM 570 C THR A 56 -3.091 9.698 8.288 1.00 0.00 C ATOM 571 O THR A 56 -4.103 9.222 7.777 1.00 0.00 O ATOM 572 CB THR A 56 -1.905 8.226 9.926 1.00 0.00 C ATOM 573 OG1 THR A 56 -2.505 7.104 9.306 1.00 0.00 O ATOM 574 CG2 THR A 56 -1.636 7.868 11.372 1.00 0.00 C ATOM 0 H THR A 56 -4.520 8.454 10.367 1.00 0.00 H new ATOM 0 HA THR A 56 -2.243 10.334 10.151 1.00 0.00 H new ATOM 0 HB THR A 56 -0.957 8.477 9.450 1.00 0.00 H new ATOM 0 HG1 THR A 56 -2.554 6.364 9.946 1.00 0.00 H new ATOM 0 HG21 THR A 56 -1.008 6.978 11.416 1.00 0.00 H new ATOM 0 HG22 THR A 56 -1.126 8.697 11.863 1.00 0.00 H new ATOM 0 HG23 THR A 56 -2.580 7.671 11.880 1.00 0.00 H new ATOM 582 N PRO A 57 -2.220 10.434 7.579 1.00 0.00 N ATOM 583 CA PRO A 57 -2.410 10.723 6.153 1.00 0.00 C ATOM 584 C PRO A 57 -2.512 9.451 5.318 1.00 0.00 C ATOM 585 O PRO A 57 -3.183 9.427 4.286 1.00 0.00 O ATOM 586 CB PRO A 57 -1.158 11.524 5.768 1.00 0.00 C ATOM 587 CG PRO A 57 -0.175 11.264 6.860 1.00 0.00 C ATOM 588 CD PRO A 57 -0.987 11.040 8.101 1.00 0.00 C ATOM 0 HA PRO A 57 -3.339 11.262 5.969 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -0.767 11.204 4.802 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -1.381 12.588 5.684 1.00 0.00 H new ATOM 0 HG2 PRO A 57 0.439 10.393 6.633 1.00 0.00 H new ATOM 0 HG3 PRO A 57 0.503 12.108 6.984 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -0.478 10.380 8.804 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -1.187 11.973 8.628 1.00 0.00 H new ATOM 596 N ALA A 58 -1.843 8.395 5.771 1.00 0.00 N ATOM 597 CA ALA A 58 -1.861 7.121 5.065 1.00 0.00 C ATOM 598 C ALA A 58 -3.151 6.355 5.338 1.00 0.00 C ATOM 599 O ALA A 58 -3.645 5.625 4.480 1.00 0.00 O ATOM 600 CB ALA A 58 -0.654 6.283 5.464 1.00 0.00 C ATOM 0 H ALA A 58 -1.283 8.398 6.623 1.00 0.00 H new ATOM 0 HA ALA A 58 -1.814 7.327 3.996 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.678 5.333 4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.261 6.819 5.210 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.679 6.096 6.538 1.00 0.00 H new ATOM 606 N ALA A 59 -3.694 6.527 6.539 1.00 0.00 N ATOM 607 CA ALA A 59 -4.928 5.851 6.925 1.00 0.00 C ATOM 608 C ALA A 59 -6.152 6.638 6.470 1.00 0.00 C ATOM 609 O ALA A 59 -7.206 6.062 6.198 1.00 0.00 O ATOM 610 CB ALA A 59 -4.966 5.641 8.431 1.00 0.00 C ATOM 0 H ALA A 59 -3.299 7.129 7.262 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.949 4.879 6.432 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.892 5.136 8.705 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -4.116 5.030 8.735 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.917 6.607 8.934 1.00 0.00 H new ATOM 616 N LEU A 60 -6.006 7.956 6.386 1.00 0.00 N ATOM 617 CA LEU A 60 -7.100 8.821 5.963 1.00 0.00 C ATOM 618 C LEU A 60 -7.243 8.805 4.443 1.00 0.00 C ATOM 619 O LEU A 60 -8.354 8.866 3.915 1.00 0.00 O ATOM 620 CB LEU A 60 -6.869 10.252 6.452 1.00 0.00 C ATOM 621 CG LEU A 60 -6.863 10.426 7.973 1.00 0.00 C ATOM 622 CD1 LEU A 60 -6.409 11.828 8.347 1.00 0.00 C ATOM 623 CD2 LEU A 60 -8.242 10.139 8.549 1.00 0.00 C ATOM 0 H LEU A 60 -5.140 8.448 6.605 1.00 0.00 H new ATOM 0 HA LEU A 60 -8.023 8.443 6.403 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -5.916 10.605 6.058 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.644 10.893 6.032 1.00 0.00 H new ATOM 0 HG LEU A 60 -6.158 9.712 8.398 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -6.411 11.934 9.432 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -5.401 11.997 7.968 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -7.089 12.559 7.910 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.218 10.268 9.631 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -8.967 10.829 8.117 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.529 9.115 8.312 1.00 0.00 H new ATOM 635 N ASP A 61 -6.113 8.721 3.748 1.00 0.00 N ATOM 636 CA ASP A 61 -6.115 8.694 2.290 1.00 0.00 C ATOM 637 C ASP A 61 -6.687 7.379 1.773 1.00 0.00 C ATOM 638 O ASP A 61 -7.605 7.370 0.952 1.00 0.00 O ATOM 639 CB ASP A 61 -4.697 8.894 1.752 1.00 0.00 C ATOM 640 CG ASP A 61 -4.348 10.356 1.564 1.00 0.00 C ATOM 641 OD1 ASP A 61 -5.025 11.211 2.173 1.00 0.00 O ATOM 642 OD2 ASP A 61 -3.398 10.648 0.808 1.00 0.00 O ATOM 0 H ASP A 61 -5.186 8.671 4.170 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.747 9.509 1.937 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -3.984 8.439 2.439 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -4.597 8.375 0.799 1.00 0.00 H new ATOM 647 N GLY A 62 -6.136 6.272 2.255 1.00 0.00 N ATOM 648 CA GLY A 62 -6.603 4.965 1.832 1.00 0.00 C ATOM 649 C GLY A 62 -5.798 4.409 0.673 1.00 0.00 C ATOM 650 O GLY A 62 -6.361 3.865 -0.278 1.00 0.00 O ATOM 0 H GLY A 62 -5.373 6.256 2.932 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.549 4.274 2.673 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.652 5.033 1.542 1.00 0.00 H new ATOM 654 N THR A 63 -4.479 4.544 0.754 1.00 0.00 N ATOM 655 CA THR A 63 -3.594 4.050 -0.296 1.00 0.00 C ATOM 656 C THR A 63 -2.657 2.974 0.242 1.00 0.00 C ATOM 657 O THR A 63 -2.599 1.866 -0.289 1.00 0.00 O ATOM 658 CB THR A 63 -2.779 5.202 -0.889 1.00 0.00 C ATOM 659 OG1 THR A 63 -3.467 6.431 -0.738 1.00 0.00 O ATOM 660 CG2 THR A 63 -2.476 5.023 -2.361 1.00 0.00 C ATOM 0 H THR A 63 -3.999 4.991 1.535 1.00 0.00 H new ATOM 0 HA THR A 63 -4.212 3.610 -1.079 1.00 0.00 H new ATOM 0 HB THR A 63 -1.838 5.206 -0.339 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.356 6.970 -1.549 1.00 0.00 H new ATOM 0 HG21 THR A 63 -1.896 5.874 -2.719 1.00 0.00 H new ATOM 0 HG22 THR A 63 -1.904 4.107 -2.506 1.00 0.00 H new ATOM 0 HG23 THR A 63 -3.410 4.959 -2.920 1.00 0.00 H new ATOM 668 N VAL A 64 -1.925 3.309 1.299 1.00 0.00 N ATOM 669 CA VAL A 64 -0.989 2.370 1.908 1.00 0.00 C ATOM 670 C VAL A 64 -1.518 1.853 3.243 1.00 0.00 C ATOM 671 O VAL A 64 -1.955 2.630 4.092 1.00 0.00 O ATOM 672 CB VAL A 64 0.390 3.017 2.133 1.00 0.00 C ATOM 673 CG1 VAL A 64 1.042 3.363 0.802 1.00 0.00 C ATOM 674 CG2 VAL A 64 0.264 4.254 3.010 1.00 0.00 C ATOM 0 H VAL A 64 -1.961 4.222 1.752 1.00 0.00 H new ATOM 0 HA VAL A 64 -0.883 1.536 1.214 1.00 0.00 H new ATOM 0 HB VAL A 64 1.027 2.298 2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 64 2.016 3.819 0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.170 2.455 0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 64 0.408 4.063 0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.249 4.697 3.158 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.391 4.978 2.526 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.156 3.974 3.976 1.00 0.00 H new ATOM 684 N ALA A 65 -1.474 0.537 3.420 1.00 0.00 N ATOM 685 CA ALA A 65 -1.948 -0.084 4.652 1.00 0.00 C ATOM 686 C ALA A 65 -1.686 -1.587 4.647 1.00 0.00 C ATOM 687 O ALA A 65 -0.986 -2.101 3.775 1.00 0.00 O ATOM 688 CB ALA A 65 -3.430 0.194 4.846 1.00 0.00 C ATOM 0 H ALA A 65 -1.115 -0.120 2.727 1.00 0.00 H new ATOM 0 HA ALA A 65 -1.395 0.351 5.485 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -3.770 -0.275 5.769 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -3.594 1.270 4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -3.990 -0.213 4.004 1.00 0.00 H new ATOM 694 N ALA A 66 -2.255 -2.284 5.624 1.00 0.00 N ATOM 695 CA ALA A 66 -2.083 -3.727 5.733 1.00 0.00 C ATOM 696 C ALA A 66 -2.599 -4.436 4.485 1.00 0.00 C ATOM 697 O ALA A 66 -3.713 -4.179 4.028 1.00 0.00 O ATOM 698 CB ALA A 66 -2.794 -4.250 6.972 1.00 0.00 C ATOM 0 H ALA A 66 -2.839 -1.873 6.352 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.017 -3.936 5.824 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.658 -5.329 7.041 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.377 -3.774 7.859 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.858 -4.022 6.904 1.00 0.00 H new ATOM 704 N GLY A 67 -1.780 -5.328 3.937 1.00 0.00 N ATOM 705 CA GLY A 67 -2.170 -6.060 2.745 1.00 0.00 C ATOM 706 C GLY A 67 -1.341 -5.678 1.534 1.00 0.00 C ATOM 707 O GLY A 67 -1.109 -6.500 0.647 1.00 0.00 O ATOM 0 H GLY A 67 -0.853 -5.557 4.297 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -2.068 -7.129 2.929 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -3.223 -5.872 2.535 1.00 0.00 H new ATOM 711 N ASP A 68 -0.893 -4.427 1.497 1.00 0.00 N ATOM 712 CA ASP A 68 -0.086 -3.937 0.385 1.00 0.00 C ATOM 713 C ASP A 68 1.360 -4.406 0.516 1.00 0.00 C ATOM 714 O ASP A 68 1.771 -4.892 1.570 1.00 0.00 O ATOM 715 CB ASP A 68 -0.135 -2.409 0.328 1.00 0.00 C ATOM 716 CG ASP A 68 -1.535 -1.884 0.081 1.00 0.00 C ATOM 717 OD1 ASP A 68 -2.384 -2.663 -0.401 1.00 0.00 O ATOM 718 OD2 ASP A 68 -1.784 -0.694 0.369 1.00 0.00 O ATOM 0 H ASP A 68 -1.075 -3.735 2.224 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.499 -4.342 -0.539 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.243 -2.001 1.266 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.527 -2.056 -0.463 1.00 0.00 H new ATOM 723 N GLU A 69 2.124 -4.257 -0.559 1.00 0.00 N ATOM 724 CA GLU A 69 3.524 -4.667 -0.565 1.00 0.00 C ATOM 725 C GLU A 69 4.423 -3.524 -1.026 1.00 0.00 C ATOM 726 O GLU A 69 4.534 -3.249 -2.221 1.00 0.00 O ATOM 727 CB GLU A 69 3.719 -5.881 -1.474 1.00 0.00 C ATOM 728 CG GLU A 69 4.901 -6.753 -1.078 1.00 0.00 C ATOM 729 CD GLU A 69 5.756 -7.148 -2.265 1.00 0.00 C ATOM 730 OE1 GLU A 69 5.460 -8.188 -2.891 1.00 0.00 O ATOM 731 OE2 GLU A 69 6.724 -6.420 -2.568 1.00 0.00 O ATOM 0 H GLU A 69 1.798 -3.855 -1.438 1.00 0.00 H new ATOM 0 HA GLU A 69 3.801 -4.937 0.454 1.00 0.00 H new ATOM 0 HB2 GLU A 69 2.812 -6.485 -1.460 1.00 0.00 H new ATOM 0 HB3 GLU A 69 3.858 -5.538 -2.499 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.516 -6.219 -0.354 1.00 0.00 H new ATOM 0 HG3 GLU A 69 4.535 -7.652 -0.583 1.00 0.00 H new ATOM 738 N ILE A 70 5.065 -2.860 -0.070 1.00 0.00 N ATOM 739 CA ILE A 70 5.956 -1.748 -0.377 1.00 0.00 C ATOM 740 C ILE A 70 7.229 -2.239 -1.062 1.00 0.00 C ATOM 741 O ILE A 70 7.724 -3.326 -0.767 1.00 0.00 O ATOM 742 CB ILE A 70 6.334 -0.963 0.895 1.00 0.00 C ATOM 743 CG1 ILE A 70 7.182 0.260 0.538 1.00 0.00 C ATOM 744 CG2 ILE A 70 7.074 -1.861 1.877 1.00 0.00 C ATOM 745 CD1 ILE A 70 7.463 1.165 1.719 1.00 0.00 C ATOM 0 H ILE A 70 4.984 -3.073 0.924 1.00 0.00 H new ATOM 0 HA ILE A 70 5.417 -1.085 -1.054 1.00 0.00 H new ATOM 0 HB ILE A 70 5.417 -0.617 1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 70 8.128 -0.075 0.114 1.00 0.00 H new ATOM 0 HG13 ILE A 70 6.671 0.833 -0.236 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.333 -1.290 2.769 1.00 0.00 H new ATOM 0 HG22 ILE A 70 6.435 -2.699 2.156 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.984 -2.238 1.411 1.00 0.00 H new ATOM 0 HD11 ILE A 70 8.068 2.011 1.393 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.522 1.530 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.002 0.607 2.485 1.00 0.00 H new ATOM 757 N THR A 71 7.751 -1.432 -1.979 1.00 0.00 N ATOM 758 CA THR A 71 8.966 -1.785 -2.705 1.00 0.00 C ATOM 759 C THR A 71 9.547 -0.570 -3.422 1.00 0.00 C ATOM 760 O THR A 71 9.971 -0.659 -4.575 1.00 0.00 O ATOM 761 CB THR A 71 8.672 -2.896 -3.715 1.00 0.00 C ATOM 762 OG1 THR A 71 9.863 -3.322 -4.351 1.00 0.00 O ATOM 763 CG2 THR A 71 7.696 -2.482 -4.796 1.00 0.00 C ATOM 0 H THR A 71 7.352 -0.529 -2.237 1.00 0.00 H new ATOM 0 HA THR A 71 9.701 -2.141 -1.983 1.00 0.00 H new ATOM 0 HB THR A 71 8.223 -3.702 -3.135 1.00 0.00 H new ATOM 0 HG1 THR A 71 10.342 -2.543 -4.704 1.00 0.00 H new ATOM 0 HG21 THR A 71 7.533 -3.317 -5.478 1.00 0.00 H new ATOM 0 HG22 THR A 71 6.748 -2.195 -4.340 1.00 0.00 H new ATOM 0 HG23 THR A 71 8.103 -1.636 -5.349 1.00 0.00 H new ATOM 771 N GLY A 72 9.564 0.565 -2.733 1.00 0.00 N ATOM 772 CA GLY A 72 10.097 1.781 -3.320 1.00 0.00 C ATOM 773 C GLY A 72 9.716 3.021 -2.535 1.00 0.00 C ATOM 774 O GLY A 72 8.616 3.104 -1.986 1.00 0.00 O ATOM 0 H GLY A 72 9.218 0.665 -1.779 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.183 1.709 -3.374 1.00 0.00 H new ATOM 0 HA3 GLY A 72 9.733 1.877 -4.343 1.00 0.00 H new ATOM 778 N VAL A 73 10.627 3.987 -2.482 1.00 0.00 N ATOM 779 CA VAL A 73 10.383 5.230 -1.760 1.00 0.00 C ATOM 780 C VAL A 73 11.078 6.405 -2.439 1.00 0.00 C ATOM 781 O VAL A 73 12.306 6.445 -2.530 1.00 0.00 O ATOM 782 CB VAL A 73 10.867 5.137 -0.301 1.00 0.00 C ATOM 783 CG1 VAL A 73 10.439 6.367 0.484 1.00 0.00 C ATOM 784 CG2 VAL A 73 10.344 3.868 0.356 1.00 0.00 C ATOM 0 H VAL A 73 11.541 3.933 -2.931 1.00 0.00 H new ATOM 0 HA VAL A 73 9.305 5.394 -1.768 1.00 0.00 H new ATOM 0 HB VAL A 73 11.956 5.096 -0.302 1.00 0.00 H new ATOM 0 HG11 VAL A 73 10.790 6.283 1.512 1.00 0.00 H new ATOM 0 HG12 VAL A 73 10.868 7.258 0.026 1.00 0.00 H new ATOM 0 HG13 VAL A 73 9.352 6.443 0.477 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.696 3.820 1.386 1.00 0.00 H new ATOM 0 HG22 VAL A 73 9.254 3.875 0.345 1.00 0.00 H new ATOM 0 HG23 VAL A 73 10.706 2.998 -0.192 1.00 0.00 H new ATOM 794 N ASN A 74 10.286 7.359 -2.916 1.00 0.00 N ATOM 795 CA ASN A 74 10.825 8.537 -3.587 1.00 0.00 C ATOM 796 C ASN A 74 11.664 8.139 -4.798 1.00 0.00 C ATOM 797 O ASN A 74 12.600 8.844 -5.174 1.00 0.00 O ATOM 798 CB ASN A 74 11.671 9.361 -2.614 1.00 0.00 C ATOM 799 CG ASN A 74 11.484 10.853 -2.807 1.00 0.00 C ATOM 800 OD1 ASN A 74 10.807 11.291 -3.737 1.00 0.00 O ATOM 801 ND2 ASN A 74 12.088 11.644 -1.927 1.00 0.00 N ATOM 0 H ASN A 74 9.268 7.340 -2.851 1.00 0.00 H new ATOM 0 HA ASN A 74 9.987 9.142 -3.932 1.00 0.00 H new ATOM 0 HB2 ASN A 74 11.407 9.094 -1.591 1.00 0.00 H new ATOM 0 HB3 ASN A 74 12.723 9.109 -2.748 1.00 0.00 H new ATOM 0 HD21 ASN A 74 12.000 12.657 -2.007 1.00 0.00 H new ATOM 0 HD22 ASN A 74 12.640 11.238 -1.171 1.00 0.00 H new ATOM 808 N GLY A 75 11.321 7.007 -5.403 1.00 0.00 N ATOM 809 CA GLY A 75 12.055 6.537 -6.564 1.00 0.00 C ATOM 810 C GLY A 75 13.115 5.514 -6.207 1.00 0.00 C ATOM 811 O GLY A 75 13.413 4.618 -6.997 1.00 0.00 O ATOM 0 H GLY A 75 10.549 6.407 -5.111 1.00 0.00 H new ATOM 0 HA2 GLY A 75 11.357 6.098 -7.277 1.00 0.00 H new ATOM 0 HA3 GLY A 75 12.526 7.386 -7.060 1.00 0.00 H new ATOM 815 N ARG A 76 13.689 5.651 -5.016 1.00 0.00 N ATOM 816 CA ARG A 76 14.723 4.732 -4.557 1.00 0.00 C ATOM 817 C ARG A 76 14.144 3.345 -4.301 1.00 0.00 C ATOM 818 O ARG A 76 13.105 3.203 -3.658 1.00 0.00 O ATOM 819 CB ARG A 76 15.379 5.269 -3.283 1.00 0.00 C ATOM 820 CG ARG A 76 16.892 5.117 -3.267 1.00 0.00 C ATOM 821 CD ARG A 76 17.338 4.022 -2.311 1.00 0.00 C ATOM 822 NE ARG A 76 18.175 3.023 -2.972 1.00 0.00 N ATOM 823 CZ ARG A 76 19.431 3.244 -3.354 1.00 0.00 C ATOM 824 NH1 ARG A 76 19.997 4.425 -3.142 1.00 0.00 N ATOM 825 NH2 ARG A 76 20.121 2.281 -3.949 1.00 0.00 N ATOM 0 H ARG A 76 13.455 6.389 -4.352 1.00 0.00 H new ATOM 0 HA ARG A 76 15.477 4.650 -5.340 1.00 0.00 H new ATOM 0 HB2 ARG A 76 15.127 6.324 -3.171 1.00 0.00 H new ATOM 0 HB3 ARG A 76 14.961 4.748 -2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 76 17.245 4.888 -4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 76 17.350 6.063 -2.976 1.00 0.00 H new ATOM 0 HD2 ARG A 76 17.890 4.467 -1.483 1.00 0.00 H new ATOM 0 HD3 ARG A 76 16.461 3.535 -1.884 1.00 0.00 H new ATOM 0 HE ARG A 76 17.773 2.103 -3.151 1.00 0.00 H new ATOM 0 HH11 ARG A 76 19.470 5.169 -2.684 1.00 0.00 H new ATOM 0 HH12 ARG A 76 20.960 4.589 -3.437 1.00 0.00 H new ATOM 0 HH21 ARG A 76 19.689 1.372 -4.114 1.00 0.00 H new ATOM 0 HH22 ARG A 76 21.083 2.450 -4.242 1.00 0.00 H new ATOM 839 N SER A 77 14.827 2.323 -4.808 1.00 0.00 N ATOM 840 CA SER A 77 14.381 0.945 -4.634 1.00 0.00 C ATOM 841 C SER A 77 14.774 0.415 -3.259 1.00 0.00 C ATOM 842 O SER A 77 15.948 0.423 -2.892 1.00 0.00 O ATOM 843 CB SER A 77 14.975 0.053 -5.727 1.00 0.00 C ATOM 844 OG SER A 77 16.360 0.306 -5.895 1.00 0.00 O ATOM 0 H SER A 77 15.690 2.423 -5.342 1.00 0.00 H new ATOM 0 HA SER A 77 13.294 0.929 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 77 14.822 -0.995 -5.469 1.00 0.00 H new ATOM 0 HB3 SER A 77 14.453 0.229 -6.668 1.00 0.00 H new ATOM 0 HG SER A 77 16.788 0.381 -5.016 1.00 0.00 H new ATOM 850 N ILE A 78 13.783 -0.046 -2.503 1.00 0.00 N ATOM 851 CA ILE A 78 14.025 -0.581 -1.169 1.00 0.00 C ATOM 852 C ILE A 78 14.023 -2.109 -1.170 1.00 0.00 C ATOM 853 O ILE A 78 13.896 -2.737 -0.121 1.00 0.00 O ATOM 854 CB ILE A 78 12.966 -0.081 -0.164 1.00 0.00 C ATOM 855 CG1 ILE A 78 11.583 -0.628 -0.528 1.00 0.00 C ATOM 856 CG2 ILE A 78 12.947 1.440 -0.128 1.00 0.00 C ATOM 857 CD1 ILE A 78 11.272 -1.962 0.118 1.00 0.00 C ATOM 0 H ILE A 78 12.805 -0.060 -2.792 1.00 0.00 H new ATOM 0 HA ILE A 78 15.009 -0.225 -0.864 1.00 0.00 H new ATOM 0 HB ILE A 78 13.229 -0.446 0.829 1.00 0.00 H new ATOM 0 HG12 ILE A 78 10.825 0.096 -0.231 1.00 0.00 H new ATOM 0 HG13 ILE A 78 11.516 -0.733 -1.611 1.00 0.00 H new ATOM 0 HG21 ILE A 78 12.195 1.778 0.585 1.00 0.00 H new ATOM 0 HG22 ILE A 78 13.927 1.809 0.175 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.706 1.824 -1.119 1.00 0.00 H new ATOM 0 HD11 ILE A 78 10.277 -2.289 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.008 -2.700 -0.199 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.306 -1.858 1.202 1.00 0.00 H new ATOM 869 N LYS A 79 14.163 -2.700 -2.353 1.00 0.00 N ATOM 870 CA LYS A 79 14.172 -4.151 -2.480 1.00 0.00 C ATOM 871 C LYS A 79 15.353 -4.757 -1.729 1.00 0.00 C ATOM 872 O LYS A 79 15.264 -5.866 -1.202 1.00 0.00 O ATOM 873 CB LYS A 79 14.230 -4.555 -3.954 1.00 0.00 C ATOM 874 CG LYS A 79 12.906 -4.386 -4.683 1.00 0.00 C ATOM 875 CD LYS A 79 12.180 -5.713 -4.843 1.00 0.00 C ATOM 876 CE LYS A 79 12.125 -6.149 -6.299 1.00 0.00 C ATOM 877 NZ LYS A 79 11.183 -7.285 -6.503 1.00 0.00 N ATOM 0 H LYS A 79 14.271 -2.197 -3.234 1.00 0.00 H new ATOM 0 HA LYS A 79 13.251 -4.534 -2.041 1.00 0.00 H new ATOM 0 HB2 LYS A 79 14.991 -3.958 -4.456 1.00 0.00 H new ATOM 0 HB3 LYS A 79 14.544 -5.596 -4.025 1.00 0.00 H new ATOM 0 HG2 LYS A 79 12.274 -3.689 -4.133 1.00 0.00 H new ATOM 0 HG3 LYS A 79 13.084 -3.948 -5.665 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.684 -6.478 -4.252 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.167 -5.624 -4.451 1.00 0.00 H new ATOM 0 HE2 LYS A 79 11.818 -5.307 -6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 79 13.122 -6.440 -6.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.174 -7.552 -7.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 11.490 -8.098 -5.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 10.226 -6.999 -6.212 1.00 0.00 H new ATOM 891 N GLY A 80 16.460 -4.022 -1.683 1.00 0.00 N ATOM 892 CA GLY A 80 17.643 -4.504 -0.994 1.00 0.00 C ATOM 893 C GLY A 80 17.909 -3.753 0.296 1.00 0.00 C ATOM 894 O GLY A 80 19.041 -3.352 0.567 1.00 0.00 O ATOM 0 H GLY A 80 16.559 -3.101 -2.111 1.00 0.00 H new ATOM 0 HA2 GLY A 80 17.525 -5.565 -0.775 1.00 0.00 H new ATOM 0 HA3 GLY A 80 18.507 -4.408 -1.651 1.00 0.00 H new ATOM 898 N LYS A 81 16.863 -3.563 1.094 1.00 0.00 N ATOM 899 CA LYS A 81 16.989 -2.855 2.362 1.00 0.00 C ATOM 900 C LYS A 81 16.204 -3.565 3.461 1.00 0.00 C ATOM 901 O LYS A 81 15.184 -4.202 3.197 1.00 0.00 O ATOM 902 CB LYS A 81 16.496 -1.414 2.217 1.00 0.00 C ATOM 903 CG LYS A 81 17.288 -0.597 1.207 1.00 0.00 C ATOM 904 CD LYS A 81 18.279 0.329 1.893 1.00 0.00 C ATOM 905 CE LYS A 81 17.781 1.765 1.911 1.00 0.00 C ATOM 906 NZ LYS A 81 18.817 2.708 2.416 1.00 0.00 N ATOM 0 H LYS A 81 15.920 -3.889 0.885 1.00 0.00 H new ATOM 0 HA LYS A 81 18.043 -2.845 2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 81 15.447 -1.426 1.920 1.00 0.00 H new ATOM 0 HB3 LYS A 81 16.546 -0.922 3.189 1.00 0.00 H new ATOM 0 HG2 LYS A 81 17.822 -1.268 0.533 1.00 0.00 H new ATOM 0 HG3 LYS A 81 16.603 -0.010 0.595 1.00 0.00 H new ATOM 0 HD2 LYS A 81 18.449 -0.011 2.915 1.00 0.00 H new ATOM 0 HD3 LYS A 81 19.239 0.282 1.378 1.00 0.00 H new ATOM 0 HE2 LYS A 81 17.484 2.058 0.904 1.00 0.00 H new ATOM 0 HE3 LYS A 81 16.892 1.833 2.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 18.437 3.676 2.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 19.083 2.444 3.386 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 19.656 2.663 1.803 1.00 0.00 H new ATOM 920 N THR A 82 16.688 -3.450 4.694 1.00 0.00 N ATOM 921 CA THR A 82 16.031 -4.079 5.834 1.00 0.00 C ATOM 922 C THR A 82 14.912 -3.194 6.372 1.00 0.00 C ATOM 923 O THR A 82 14.806 -2.023 6.010 1.00 0.00 O ATOM 924 CB THR A 82 17.048 -4.364 6.940 1.00 0.00 C ATOM 925 OG1 THR A 82 18.300 -4.731 6.389 1.00 0.00 O ATOM 926 CG2 THR A 82 16.617 -5.472 7.878 1.00 0.00 C ATOM 0 H THR A 82 17.532 -2.928 4.929 1.00 0.00 H new ATOM 0 HA THR A 82 15.596 -5.020 5.498 1.00 0.00 H new ATOM 0 HB THR A 82 17.124 -3.437 7.508 1.00 0.00 H new ATOM 0 HG1 THR A 82 18.937 -4.907 7.113 1.00 0.00 H new ATOM 0 HG21 THR A 82 17.383 -5.623 8.639 1.00 0.00 H new ATOM 0 HG22 THR A 82 15.678 -5.197 8.358 1.00 0.00 H new ATOM 0 HG23 THR A 82 16.479 -6.394 7.313 1.00 0.00 H new ATOM 934 N LYS A 83 14.078 -3.762 7.238 1.00 0.00 N ATOM 935 CA LYS A 83 12.966 -3.020 7.825 1.00 0.00 C ATOM 936 C LYS A 83 13.463 -1.772 8.547 1.00 0.00 C ATOM 937 O LYS A 83 12.772 -0.754 8.595 1.00 0.00 O ATOM 938 CB LYS A 83 12.184 -3.909 8.795 1.00 0.00 C ATOM 939 CG LYS A 83 13.032 -4.475 9.924 1.00 0.00 C ATOM 940 CD LYS A 83 12.264 -4.505 11.237 1.00 0.00 C ATOM 941 CE LYS A 83 12.382 -5.857 11.925 1.00 0.00 C ATOM 942 NZ LYS A 83 13.318 -5.812 13.083 1.00 0.00 N ATOM 0 H LYS A 83 14.150 -4.731 7.548 1.00 0.00 H new ATOM 0 HA LYS A 83 12.305 -2.709 7.016 1.00 0.00 H new ATOM 0 HB2 LYS A 83 11.364 -3.332 9.222 1.00 0.00 H new ATOM 0 HB3 LYS A 83 11.738 -4.734 8.239 1.00 0.00 H new ATOM 0 HG2 LYS A 83 13.355 -5.484 9.667 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.932 -3.872 10.042 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.642 -3.726 11.898 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.214 -4.282 11.050 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.398 -6.178 12.266 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.728 -6.601 11.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 14.107 -6.469 12.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.689 -4.847 13.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.813 -6.089 13.949 1.00 0.00 H new ATOM 956 N VAL A 84 14.667 -1.857 9.103 1.00 0.00 N ATOM 957 CA VAL A 84 15.258 -0.733 9.819 1.00 0.00 C ATOM 958 C VAL A 84 15.805 0.306 8.845 1.00 0.00 C ATOM 959 O VAL A 84 15.745 1.508 9.105 1.00 0.00 O ATOM 960 CB VAL A 84 16.393 -1.193 10.753 1.00 0.00 C ATOM 961 CG1 VAL A 84 15.829 -1.926 11.959 1.00 0.00 C ATOM 962 CG2 VAL A 84 17.383 -2.071 10.002 1.00 0.00 C ATOM 0 H VAL A 84 15.252 -2.692 9.071 1.00 0.00 H new ATOM 0 HA VAL A 84 14.466 -0.287 10.420 1.00 0.00 H new ATOM 0 HB VAL A 84 16.924 -0.310 11.109 1.00 0.00 H new ATOM 0 HG11 VAL A 84 16.646 -2.243 12.607 1.00 0.00 H new ATOM 0 HG12 VAL A 84 15.165 -1.261 12.511 1.00 0.00 H new ATOM 0 HG13 VAL A 84 15.271 -2.800 11.625 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.177 -2.386 10.679 1.00 0.00 H new ATOM 0 HG22 VAL A 84 16.868 -2.950 9.614 1.00 0.00 H new ATOM 0 HG23 VAL A 84 17.814 -1.508 9.174 1.00 0.00 H new ATOM 972 N GLU A 85 16.335 -0.167 7.722 1.00 0.00 N ATOM 973 CA GLU A 85 16.891 0.720 6.707 1.00 0.00 C ATOM 974 C GLU A 85 15.789 1.533 6.036 1.00 0.00 C ATOM 975 O GLU A 85 15.888 2.754 5.918 1.00 0.00 O ATOM 976 CB GLU A 85 17.655 -0.088 5.656 1.00 0.00 C ATOM 977 CG GLU A 85 19.028 -0.548 6.122 1.00 0.00 C ATOM 978 CD GLU A 85 20.152 0.015 5.274 1.00 0.00 C ATOM 979 OE1 GLU A 85 20.408 1.233 5.362 1.00 0.00 O ATOM 980 OE2 GLU A 85 20.775 -0.764 4.522 1.00 0.00 O ATOM 0 H GLU A 85 16.391 -1.159 7.492 1.00 0.00 H new ATOM 0 HA GLU A 85 17.580 1.407 7.198 1.00 0.00 H new ATOM 0 HB2 GLU A 85 17.063 -0.961 5.380 1.00 0.00 H new ATOM 0 HB3 GLU A 85 17.770 0.517 4.757 1.00 0.00 H new ATOM 0 HG2 GLU A 85 19.175 -0.247 7.159 1.00 0.00 H new ATOM 0 HG3 GLU A 85 19.070 -1.637 6.097 1.00 0.00 H new ATOM 987 N VAL A 86 14.737 0.847 5.601 1.00 0.00 N ATOM 988 CA VAL A 86 13.614 1.506 4.945 1.00 0.00 C ATOM 989 C VAL A 86 12.895 2.446 5.907 1.00 0.00 C ATOM 990 O VAL A 86 12.572 3.580 5.555 1.00 0.00 O ATOM 991 CB VAL A 86 12.604 0.482 4.390 1.00 0.00 C ATOM 992 CG1 VAL A 86 11.510 1.182 3.597 1.00 0.00 C ATOM 993 CG2 VAL A 86 13.311 -0.555 3.532 1.00 0.00 C ATOM 0 H VAL A 86 14.639 -0.164 5.691 1.00 0.00 H new ATOM 0 HA VAL A 86 14.024 2.082 4.115 1.00 0.00 H new ATOM 0 HB VAL A 86 12.138 -0.031 5.232 1.00 0.00 H new ATOM 0 HG11 VAL A 86 10.808 0.442 3.214 1.00 0.00 H new ATOM 0 HG12 VAL A 86 10.982 1.882 4.245 1.00 0.00 H new ATOM 0 HG13 VAL A 86 11.955 1.725 2.763 1.00 0.00 H new ATOM 0 HG21 VAL A 86 12.582 -1.269 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 86 13.807 -0.060 2.697 1.00 0.00 H new ATOM 0 HG23 VAL A 86 14.052 -1.081 4.134 1.00 0.00 H new ATOM 1003 N ALA A 87 12.649 1.968 7.123 1.00 0.00 N ATOM 1004 CA ALA A 87 11.970 2.768 8.137 1.00 0.00 C ATOM 1005 C ALA A 87 12.684 4.098 8.355 1.00 0.00 C ATOM 1006 O ALA A 87 12.052 5.156 8.392 1.00 0.00 O ATOM 1007 CB ALA A 87 11.877 1.995 9.444 1.00 0.00 C ATOM 0 H ALA A 87 12.910 1.031 7.430 1.00 0.00 H new ATOM 0 HA ALA A 87 10.962 2.981 7.782 1.00 0.00 H new ATOM 0 HB1 ALA A 87 11.368 2.604 10.191 1.00 0.00 H new ATOM 0 HB2 ALA A 87 11.316 1.074 9.283 1.00 0.00 H new ATOM 0 HB3 ALA A 87 12.880 1.752 9.795 1.00 0.00 H new ATOM 1013 N LYS A 88 14.004 4.039 8.498 1.00 0.00 N ATOM 1014 CA LYS A 88 14.802 5.241 8.708 1.00 0.00 C ATOM 1015 C LYS A 88 14.737 6.153 7.487 1.00 0.00 C ATOM 1016 O LYS A 88 14.733 7.379 7.613 1.00 0.00 O ATOM 1017 CB LYS A 88 16.256 4.866 9.008 1.00 0.00 C ATOM 1018 CG LYS A 88 16.625 4.986 10.478 1.00 0.00 C ATOM 1019 CD LYS A 88 16.016 3.859 11.299 1.00 0.00 C ATOM 1020 CE LYS A 88 17.081 3.085 12.061 1.00 0.00 C ATOM 1021 NZ LYS A 88 18.073 2.458 11.145 1.00 0.00 N ATOM 0 H LYS A 88 14.543 3.173 8.472 1.00 0.00 H new ATOM 0 HA LYS A 88 14.392 5.779 9.562 1.00 0.00 H new ATOM 0 HB2 LYS A 88 16.433 3.842 8.680 1.00 0.00 H new ATOM 0 HB3 LYS A 88 16.916 5.507 8.423 1.00 0.00 H new ATOM 0 HG2 LYS A 88 17.710 4.970 10.584 1.00 0.00 H new ATOM 0 HG3 LYS A 88 16.281 5.946 10.864 1.00 0.00 H new ATOM 0 HD2 LYS A 88 15.291 4.270 12.002 1.00 0.00 H new ATOM 0 HD3 LYS A 88 15.473 3.181 10.641 1.00 0.00 H new ATOM 0 HE2 LYS A 88 17.595 3.756 12.749 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.606 2.312 12.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 18.491 1.624 11.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.599 2.168 10.266 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 18.823 3.143 10.924 1.00 0.00 H new ATOM 1035 N MET A 89 14.687 5.548 6.304 1.00 0.00 N ATOM 1036 CA MET A 89 14.621 6.304 5.060 1.00 0.00 C ATOM 1037 C MET A 89 13.376 7.186 5.027 1.00 0.00 C ATOM 1038 O MET A 89 13.424 8.326 4.566 1.00 0.00 O ATOM 1039 CB MET A 89 14.618 5.353 3.860 1.00 0.00 C ATOM 1040 CG MET A 89 14.899 6.046 2.536 1.00 0.00 C ATOM 1041 SD MET A 89 16.076 5.143 1.511 1.00 0.00 S ATOM 1042 CE MET A 89 14.981 4.022 0.643 1.00 0.00 C ATOM 0 H MET A 89 14.691 4.535 6.182 1.00 0.00 H new ATOM 0 HA MET A 89 15.501 6.944 5.005 1.00 0.00 H new ATOM 0 HB2 MET A 89 15.366 4.576 4.020 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.649 4.856 3.803 1.00 0.00 H new ATOM 0 HG2 MET A 89 13.964 6.166 1.988 1.00 0.00 H new ATOM 0 HG3 MET A 89 15.286 7.047 2.730 1.00 0.00 H new ATOM 0 HE1 MET A 89 15.558 3.190 0.239 1.00 0.00 H new ATOM 0 HE2 MET A 89 14.229 3.640 1.334 1.00 0.00 H new ATOM 0 HE3 MET A 89 14.489 4.552 -0.172 1.00 0.00 H new ATOM 1052 N ILE A 90 12.265 6.650 5.520 1.00 0.00 N ATOM 1053 CA ILE A 90 11.009 7.390 5.549 1.00 0.00 C ATOM 1054 C ILE A 90 11.029 8.461 6.634 1.00 0.00 C ATOM 1055 O ILE A 90 10.457 9.538 6.469 1.00 0.00 O ATOM 1056 CB ILE A 90 9.809 6.453 5.792 1.00 0.00 C ATOM 1057 CG1 ILE A 90 9.843 5.277 4.814 1.00 0.00 C ATOM 1058 CG2 ILE A 90 8.501 7.220 5.661 1.00 0.00 C ATOM 1059 CD1 ILE A 90 9.904 5.700 3.362 1.00 0.00 C ATOM 0 H ILE A 90 12.209 5.707 5.905 1.00 0.00 H new ATOM 0 HA ILE A 90 10.899 7.864 4.574 1.00 0.00 H new ATOM 0 HB ILE A 90 9.877 6.059 6.806 1.00 0.00 H new ATOM 0 HG12 ILE A 90 10.708 4.653 5.039 1.00 0.00 H new ATOM 0 HG13 ILE A 90 8.957 4.661 4.968 1.00 0.00 H new ATOM 0 HG21 ILE A 90 7.664 6.544 5.835 1.00 0.00 H new ATOM 0 HG22 ILE A 90 8.476 8.025 6.395 1.00 0.00 H new ATOM 0 HG23 ILE A 90 8.425 7.641 4.658 1.00 0.00 H new ATOM 0 HD11 ILE A 90 9.926 4.815 2.726 1.00 0.00 H new ATOM 0 HD12 ILE A 90 9.026 6.299 3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 90 10.804 6.291 3.193 1.00 0.00 H new ATOM 1071 N GLN A 91 11.693 8.157 7.745 1.00 0.00 N ATOM 1072 CA GLN A 91 11.789 9.094 8.857 1.00 0.00 C ATOM 1073 C GLN A 91 12.639 10.304 8.481 1.00 0.00 C ATOM 1074 O GLN A 91 12.468 11.390 9.037 1.00 0.00 O ATOM 1075 CB GLN A 91 12.383 8.401 10.084 1.00 0.00 C ATOM 1076 CG GLN A 91 11.375 7.571 10.862 1.00 0.00 C ATOM 1077 CD GLN A 91 11.634 7.587 12.355 1.00 0.00 C ATOM 1078 OE1 GLN A 91 12.404 8.408 12.855 1.00 0.00 O ATOM 1079 NE2 GLN A 91 10.991 6.677 13.077 1.00 0.00 N ATOM 0 H GLN A 91 12.172 7.270 7.898 1.00 0.00 H new ATOM 0 HA GLN A 91 10.783 9.441 9.094 1.00 0.00 H new ATOM 0 HB2 GLN A 91 13.203 7.757 9.766 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.809 9.155 10.746 1.00 0.00 H new ATOM 0 HG2 GLN A 91 10.371 7.949 10.667 1.00 0.00 H new ATOM 0 HG3 GLN A 91 11.403 6.542 10.503 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.362 6.016 12.621 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.126 6.639 14.087 1.00 0.00 H new ATOM 1088 N GLU A 92 13.554 10.113 7.536 1.00 0.00 N ATOM 1089 CA GLU A 92 14.430 11.191 7.091 1.00 0.00 C ATOM 1090 C GLU A 92 13.754 12.033 6.014 1.00 0.00 C ATOM 1091 O GLU A 92 13.709 13.260 6.109 1.00 0.00 O ATOM 1092 CB GLU A 92 15.746 10.621 6.558 1.00 0.00 C ATOM 1093 CG GLU A 92 16.463 9.718 7.549 1.00 0.00 C ATOM 1094 CD GLU A 92 17.861 10.204 7.876 1.00 0.00 C ATOM 1095 OE1 GLU A 92 17.994 11.346 8.363 1.00 0.00 O ATOM 1096 OE2 GLU A 92 18.824 9.441 7.645 1.00 0.00 O ATOM 0 H GLU A 92 13.708 9.222 7.064 1.00 0.00 H new ATOM 0 HA GLU A 92 14.640 11.831 7.948 1.00 0.00 H new ATOM 0 HB2 GLU A 92 15.546 10.059 5.646 1.00 0.00 H new ATOM 0 HB3 GLU A 92 16.406 11.445 6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.879 9.658 8.468 1.00 0.00 H new ATOM 0 HG3 GLU A 92 16.520 8.709 7.140 1.00 0.00 H new ATOM 1103 N VAL A 93 13.231 11.367 4.988 1.00 0.00 N ATOM 1104 CA VAL A 93 12.559 12.055 3.892 1.00 0.00 C ATOM 1105 C VAL A 93 11.400 12.908 4.405 1.00 0.00 C ATOM 1106 O VAL A 93 10.485 12.403 5.055 1.00 0.00 O ATOM 1107 CB VAL A 93 12.028 11.057 2.844 1.00 0.00 C ATOM 1108 CG1 VAL A 93 11.006 10.117 3.465 1.00 0.00 C ATOM 1109 CG2 VAL A 93 11.433 11.794 1.653 1.00 0.00 C ATOM 0 H VAL A 93 13.260 10.352 4.894 1.00 0.00 H new ATOM 0 HA VAL A 93 13.300 12.702 3.422 1.00 0.00 H new ATOM 0 HB VAL A 93 12.866 10.458 2.488 1.00 0.00 H new ATOM 0 HG11 VAL A 93 10.644 9.421 2.708 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.471 9.559 4.278 1.00 0.00 H new ATOM 0 HG13 VAL A 93 10.169 10.696 3.855 1.00 0.00 H new ATOM 0 HG21 VAL A 93 11.064 11.071 0.925 1.00 0.00 H new ATOM 0 HG22 VAL A 93 10.609 12.423 1.989 1.00 0.00 H new ATOM 0 HG23 VAL A 93 12.199 12.416 1.190 1.00 0.00 H new ATOM 1119 N LYS A 94 11.448 14.202 4.106 1.00 0.00 N ATOM 1120 CA LYS A 94 10.403 15.124 4.535 1.00 0.00 C ATOM 1121 C LYS A 94 9.569 15.595 3.348 1.00 0.00 C ATOM 1122 O LYS A 94 9.867 15.268 2.199 1.00 0.00 O ATOM 1123 CB LYS A 94 11.018 16.328 5.252 1.00 0.00 C ATOM 1124 CG LYS A 94 11.956 17.144 4.376 1.00 0.00 C ATOM 1125 CD LYS A 94 11.280 18.400 3.849 1.00 0.00 C ATOM 1126 CE LYS A 94 12.141 19.633 4.072 1.00 0.00 C ATOM 1127 NZ LYS A 94 12.885 20.022 2.843 1.00 0.00 N ATOM 0 H LYS A 94 12.199 14.636 3.569 1.00 0.00 H new ATOM 0 HA LYS A 94 9.748 14.594 5.227 1.00 0.00 H new ATOM 0 HB2 LYS A 94 10.217 16.974 5.612 1.00 0.00 H new ATOM 0 HB3 LYS A 94 11.564 15.979 6.128 1.00 0.00 H new ATOM 0 HG2 LYS A 94 12.841 17.420 4.949 1.00 0.00 H new ATOM 0 HG3 LYS A 94 12.295 16.534 3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 94 11.076 18.285 2.784 1.00 0.00 H new ATOM 0 HD3 LYS A 94 10.318 18.532 4.345 1.00 0.00 H new ATOM 0 HE2 LYS A 94 11.511 20.463 4.392 1.00 0.00 H new ATOM 0 HE3 LYS A 94 12.848 19.440 4.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 13.460 20.867 3.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 13.506 19.241 2.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 12.210 20.231 2.080 1.00 0.00 H new ATOM 1141 N GLY A 95 8.524 16.366 3.633 1.00 0.00 N ATOM 1142 CA GLY A 95 7.664 16.870 2.579 1.00 0.00 C ATOM 1143 C GLY A 95 6.835 15.776 1.934 1.00 0.00 C ATOM 1144 O GLY A 95 6.534 14.763 2.566 1.00 0.00 O ATOM 0 H GLY A 95 8.258 16.650 4.576 1.00 0.00 H new ATOM 0 HA2 GLY A 95 7.000 17.631 2.989 1.00 0.00 H new ATOM 0 HA3 GLY A 95 8.274 17.356 1.818 1.00 0.00 H new ATOM 1148 N GLU A 96 6.467 15.978 0.673 1.00 0.00 N ATOM 1149 CA GLU A 96 5.670 15.000 -0.056 1.00 0.00 C ATOM 1150 C GLU A 96 6.482 13.744 -0.346 1.00 0.00 C ATOM 1151 O GLU A 96 7.229 13.686 -1.324 1.00 0.00 O ATOM 1152 CB GLU A 96 5.157 15.604 -1.365 1.00 0.00 C ATOM 1153 CG GLU A 96 6.247 16.242 -2.210 1.00 0.00 C ATOM 1154 CD GLU A 96 6.273 17.752 -2.083 1.00 0.00 C ATOM 1155 OE1 GLU A 96 5.547 18.424 -2.846 1.00 0.00 O ATOM 1156 OE2 GLU A 96 7.018 18.264 -1.221 1.00 0.00 O ATOM 0 H GLU A 96 6.708 16.810 0.135 1.00 0.00 H new ATOM 0 HA GLU A 96 4.819 14.724 0.567 1.00 0.00 H new ATOM 0 HB2 GLU A 96 4.667 14.824 -1.948 1.00 0.00 H new ATOM 0 HB3 GLU A 96 4.400 16.354 -1.137 1.00 0.00 H new ATOM 0 HG2 GLU A 96 7.215 15.839 -1.912 1.00 0.00 H new ATOM 0 HG3 GLU A 96 6.097 15.971 -3.255 1.00 0.00 H new ATOM 1163 N VAL A 97 6.334 12.740 0.511 1.00 0.00 N ATOM 1164 CA VAL A 97 7.054 11.482 0.351 1.00 0.00 C ATOM 1165 C VAL A 97 6.301 10.534 -0.578 1.00 0.00 C ATOM 1166 O VAL A 97 5.074 10.448 -0.532 1.00 0.00 O ATOM 1167 CB VAL A 97 7.282 10.791 1.709 1.00 0.00 C ATOM 1168 CG1 VAL A 97 5.953 10.452 2.370 1.00 0.00 C ATOM 1169 CG2 VAL A 97 8.136 9.544 1.539 1.00 0.00 C ATOM 0 H VAL A 97 5.721 12.773 1.325 1.00 0.00 H new ATOM 0 HA VAL A 97 8.022 11.721 -0.090 1.00 0.00 H new ATOM 0 HB VAL A 97 7.817 11.483 2.360 1.00 0.00 H new ATOM 0 HG11 VAL A 97 6.137 9.965 3.328 1.00 0.00 H new ATOM 0 HG12 VAL A 97 5.383 11.367 2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 97 5.386 9.781 1.724 1.00 0.00 H new ATOM 0 HG21 VAL A 97 8.286 9.070 2.509 1.00 0.00 H new ATOM 0 HG22 VAL A 97 7.633 8.847 0.869 1.00 0.00 H new ATOM 0 HG23 VAL A 97 9.102 9.820 1.117 1.00 0.00 H new ATOM 1179 N THR A 98 7.045 9.825 -1.422 1.00 0.00 N ATOM 1180 CA THR A 98 6.447 8.884 -2.362 1.00 0.00 C ATOM 1181 C THR A 98 6.840 7.449 -2.023 1.00 0.00 C ATOM 1182 O THR A 98 7.978 7.183 -1.636 1.00 0.00 O ATOM 1183 CB THR A 98 6.876 9.218 -3.791 1.00 0.00 C ATOM 1184 OG1 THR A 98 6.788 10.612 -4.029 1.00 0.00 O ATOM 1185 CG2 THR A 98 6.043 8.519 -4.846 1.00 0.00 C ATOM 0 H THR A 98 8.062 9.885 -1.474 1.00 0.00 H new ATOM 0 HA THR A 98 5.363 8.972 -2.284 1.00 0.00 H new ATOM 0 HB THR A 98 7.905 8.868 -3.872 1.00 0.00 H new ATOM 0 HG1 THR A 98 7.068 10.805 -4.948 1.00 0.00 H new ATOM 0 HG21 THR A 98 6.400 8.800 -5.837 1.00 0.00 H new ATOM 0 HG22 THR A 98 6.129 7.440 -4.722 1.00 0.00 H new ATOM 0 HG23 THR A 98 4.999 8.814 -4.740 1.00 0.00 H new ATOM 1193 N ILE A 99 5.892 6.531 -2.171 1.00 0.00 N ATOM 1194 CA ILE A 99 6.138 5.123 -1.883 1.00 0.00 C ATOM 1195 C ILE A 99 5.518 4.228 -2.950 1.00 0.00 C ATOM 1196 O ILE A 99 4.387 4.452 -3.382 1.00 0.00 O ATOM 1197 CB ILE A 99 5.577 4.728 -0.502 1.00 0.00 C ATOM 1198 CG1 ILE A 99 6.116 5.666 0.579 1.00 0.00 C ATOM 1199 CG2 ILE A 99 5.927 3.281 -0.177 1.00 0.00 C ATOM 1200 CD1 ILE A 99 5.357 6.970 0.682 1.00 0.00 C ATOM 0 H ILE A 99 4.945 6.737 -2.489 1.00 0.00 H new ATOM 0 HA ILE A 99 7.219 4.982 -1.881 1.00 0.00 H new ATOM 0 HB ILE A 99 4.491 4.820 -0.530 1.00 0.00 H new ATOM 0 HG12 ILE A 99 6.079 5.157 1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 99 7.164 5.881 0.372 1.00 0.00 H new ATOM 0 HG21 ILE A 99 5.523 3.020 0.801 1.00 0.00 H new ATOM 0 HG22 ILE A 99 5.498 2.624 -0.934 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.010 3.163 -0.165 1.00 0.00 H new ATOM 0 HD11 ILE A 99 5.795 7.585 1.469 1.00 0.00 H new ATOM 0 HD12 ILE A 99 5.415 7.501 -0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 99 4.313 6.766 0.920 1.00 0.00 H new ATOM 1212 N HIS A 100 6.265 3.213 -3.372 1.00 0.00 N ATOM 1213 CA HIS A 100 5.788 2.283 -4.390 1.00 0.00 C ATOM 1214 C HIS A 100 5.326 0.975 -3.757 1.00 0.00 C ATOM 1215 O HIS A 100 6.142 0.157 -3.332 1.00 0.00 O ATOM 1216 CB HIS A 100 6.892 2.005 -5.412 1.00 0.00 C ATOM 1217 CG HIS A 100 7.492 3.246 -5.997 1.00 0.00 C ATOM 1218 ND1 HIS A 100 7.358 3.594 -7.326 1.00 0.00 N ATOM 1219 CD2 HIS A 100 8.233 4.225 -5.428 1.00 0.00 C ATOM 1220 CE1 HIS A 100 7.992 4.731 -7.546 1.00 0.00 C ATOM 1221 NE2 HIS A 100 8.530 5.136 -6.411 1.00 0.00 N ATOM 0 H HIS A 100 7.203 3.013 -3.025 1.00 0.00 H new ATOM 0 HA HIS A 100 4.939 2.741 -4.897 1.00 0.00 H new ATOM 0 HB2 HIS A 100 7.679 1.421 -4.935 1.00 0.00 H new ATOM 0 HB3 HIS A 100 6.485 1.394 -6.217 1.00 0.00 H new ATOM 0 HD1 HIS A 100 6.849 3.057 -8.028 1.00 0.00 H new ATOM 0 HD2 HIS A 100 8.535 4.279 -4.392 1.00 0.00 H new ATOM 0 HE1 HIS A 100 8.059 5.243 -8.495 1.00 0.00 H new ATOM 1230 N TYR A 101 4.011 0.786 -3.698 1.00 0.00 N ATOM 1231 CA TYR A 101 3.440 -0.424 -3.116 1.00 0.00 C ATOM 1232 C TYR A 101 2.811 -1.303 -4.195 1.00 0.00 C ATOM 1233 O TYR A 101 2.604 -0.861 -5.324 1.00 0.00 O ATOM 1234 CB TYR A 101 2.394 -0.061 -2.060 1.00 0.00 C ATOM 1235 CG TYR A 101 1.169 0.625 -2.626 1.00 0.00 C ATOM 1236 CD1 TYR A 101 1.131 2.005 -2.779 1.00 0.00 C ATOM 1237 CD2 TYR A 101 0.054 -0.109 -3.008 1.00 0.00 C ATOM 1238 CE1 TYR A 101 0.015 2.634 -3.295 1.00 0.00 C ATOM 1239 CE2 TYR A 101 -1.065 0.513 -3.527 1.00 0.00 C ATOM 1240 CZ TYR A 101 -1.080 1.884 -3.668 1.00 0.00 C ATOM 1241 OH TYR A 101 -2.193 2.508 -4.184 1.00 0.00 O ATOM 0 H TYR A 101 3.322 1.454 -4.045 1.00 0.00 H new ATOM 0 HA TYR A 101 4.245 -0.985 -2.641 1.00 0.00 H new ATOM 0 HB2 TYR A 101 2.084 -0.968 -1.542 1.00 0.00 H new ATOM 0 HB3 TYR A 101 2.853 0.590 -1.316 1.00 0.00 H new ATOM 0 HD1 TYR A 101 1.988 2.596 -2.490 1.00 0.00 H new ATOM 0 HD2 TYR A 101 0.062 -1.183 -2.898 1.00 0.00 H new ATOM 0 HE1 TYR A 101 0.000 3.708 -3.406 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -1.924 -0.072 -3.821 1.00 0.00 H new ATOM 0 HH TYR A 101 -2.875 1.837 -4.397 1.00 0.00 H new ATOM 1251 N ASN A 102 2.510 -2.545 -3.837 1.00 0.00 N ATOM 1252 CA ASN A 102 1.905 -3.485 -4.774 1.00 0.00 C ATOM 1253 C ASN A 102 0.645 -4.107 -4.183 1.00 0.00 C ATOM 1254 O ASN A 102 0.676 -4.683 -3.096 1.00 0.00 O ATOM 1255 CB ASN A 102 2.904 -4.583 -5.144 1.00 0.00 C ATOM 1256 CG ASN A 102 4.241 -4.023 -5.589 1.00 0.00 C ATOM 1257 OD1 ASN A 102 4.306 -2.967 -6.220 1.00 0.00 O ATOM 1258 ND2 ASN A 102 5.317 -4.728 -5.262 1.00 0.00 N ATOM 0 H ASN A 102 2.675 -2.925 -2.905 1.00 0.00 H new ATOM 0 HA ASN A 102 1.630 -2.935 -5.674 1.00 0.00 H new ATOM 0 HB2 ASN A 102 3.055 -5.237 -4.285 1.00 0.00 H new ATOM 0 HB3 ASN A 102 2.486 -5.196 -5.942 1.00 0.00 H new ATOM 0 HD21 ASN A 102 6.244 -4.400 -5.534 1.00 0.00 H new ATOM 0 HD22 ASN A 102 5.217 -5.598 -4.738 1.00 0.00 H new ATOM 1265 N LYS A 103 -0.463 -3.986 -4.907 1.00 0.00 N ATOM 1266 CA LYS A 103 -1.735 -4.537 -4.454 1.00 0.00 C ATOM 1267 C LYS A 103 -1.852 -6.012 -4.826 1.00 0.00 C ATOM 1268 O LYS A 103 -1.644 -6.389 -5.980 1.00 0.00 O ATOM 1269 CB LYS A 103 -2.899 -3.751 -5.060 1.00 0.00 C ATOM 1270 CG LYS A 103 -4.035 -3.495 -4.082 1.00 0.00 C ATOM 1271 CD LYS A 103 -3.822 -2.205 -3.306 1.00 0.00 C ATOM 1272 CE LYS A 103 -5.120 -1.694 -2.700 1.00 0.00 C ATOM 1273 NZ LYS A 103 -5.084 -1.713 -1.211 1.00 0.00 N ATOM 0 H LYS A 103 -0.506 -3.512 -5.809 1.00 0.00 H new ATOM 0 HA LYS A 103 -1.775 -4.451 -3.368 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -2.528 -2.796 -5.431 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -3.287 -4.297 -5.920 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -4.979 -3.443 -4.625 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -4.113 -4.331 -3.386 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -3.092 -2.373 -2.514 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -3.406 -1.446 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -5.306 -0.677 -3.046 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -5.950 -2.307 -3.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -5.822 -2.353 -0.854 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -4.152 -2.045 -0.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -5.253 -0.753 -0.847 1.00 0.00 H new ATOM 1287 N LEU A 104 -2.187 -6.842 -3.844 1.00 0.00 N ATOM 1288 CA LEU A 104 -2.330 -8.275 -4.068 1.00 0.00 C ATOM 1289 C LEU A 104 -3.791 -8.699 -3.964 1.00 0.00 C ATOM 1290 O LEU A 104 -4.591 -8.047 -3.293 1.00 0.00 O ATOM 1291 CB LEU A 104 -1.487 -9.057 -3.059 1.00 0.00 C ATOM 1292 CG LEU A 104 -0.072 -8.518 -2.840 1.00 0.00 C ATOM 1293 CD1 LEU A 104 -0.022 -7.630 -1.607 1.00 0.00 C ATOM 1294 CD2 LEU A 104 0.923 -9.664 -2.715 1.00 0.00 C ATOM 0 H LEU A 104 -2.365 -6.546 -2.884 1.00 0.00 H new ATOM 0 HA LEU A 104 -1.977 -8.497 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -2.008 -9.065 -2.102 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -1.417 -10.092 -3.392 1.00 0.00 H new ATOM 0 HG LEU A 104 0.204 -7.917 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 104 0.993 -7.257 -1.468 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.704 -6.789 -1.736 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.319 -8.207 -0.731 1.00 0.00 H new ATOM 0 HD21 LEU A 104 1.924 -9.261 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU A 104 0.649 -10.293 -1.868 1.00 0.00 H new ATOM 0 HD23 LEU A 104 0.909 -10.259 -3.628 1.00 0.00 H new ATOM 1307 N GLU B 121 6.612 -8.472 14.870 1.00 0.00 N ATOM 1308 CA GLU B 121 7.729 -7.558 14.670 1.00 0.00 C ATOM 1309 C GLU B 121 7.485 -6.659 13.461 1.00 0.00 C ATOM 1310 O GLU B 121 7.328 -7.139 12.339 1.00 0.00 O ATOM 1311 CB GLU B 121 9.031 -8.341 14.487 1.00 0.00 C ATOM 1312 CG GLU B 121 10.004 -8.183 15.644 1.00 0.00 C ATOM 1313 CD GLU B 121 11.438 -8.010 15.181 1.00 0.00 C ATOM 1314 OE1 GLU B 121 11.886 -8.802 14.326 1.00 0.00 O ATOM 1315 OE2 GLU B 121 12.113 -7.080 15.673 1.00 0.00 O ATOM 0 HA GLU B 121 7.816 -6.929 15.556 1.00 0.00 H new ATOM 0 HB2 GLU B 121 8.795 -9.398 14.363 1.00 0.00 H new ATOM 0 HB3 GLU B 121 9.516 -8.013 13.568 1.00 0.00 H new ATOM 0 HG2 GLU B 121 9.713 -7.320 16.243 1.00 0.00 H new ATOM 0 HG3 GLU B 121 9.938 -9.058 16.291 1.00 0.00 H new ATOM 1322 N SER B 122 7.453 -5.352 13.700 1.00 0.00 N ATOM 1323 CA SER B 122 7.228 -4.385 12.632 1.00 0.00 C ATOM 1324 C SER B 122 7.678 -2.991 13.057 1.00 0.00 C ATOM 1325 O SER B 122 7.661 -2.656 14.241 1.00 0.00 O ATOM 1326 CB SER B 122 5.749 -4.358 12.242 1.00 0.00 C ATOM 1327 OG SER B 122 5.271 -5.663 11.962 1.00 0.00 O ATOM 0 H SER B 122 7.580 -4.938 14.624 1.00 0.00 H new ATOM 0 HA SER B 122 7.819 -4.691 11.769 1.00 0.00 H new ATOM 0 HB2 SER B 122 5.165 -3.919 13.051 1.00 0.00 H new ATOM 0 HB3 SER B 122 5.612 -3.722 11.368 1.00 0.00 H new ATOM 0 HG SER B 122 6.021 -6.238 11.703 1.00 0.00 H new ATOM 1333 N VAL B 123 8.081 -2.183 12.082 1.00 0.00 N ATOM 1334 CA VAL B 123 8.537 -0.826 12.353 1.00 0.00 C ATOM 1335 C VAL B 123 7.521 0.202 11.869 1.00 0.00 C ATOM 1336 O VAL B 123 7.159 0.225 10.693 1.00 0.00 O ATOM 1337 CB VAL B 123 9.895 -0.543 11.683 1.00 0.00 C ATOM 1338 CG1 VAL B 123 10.426 0.820 12.099 1.00 0.00 C ATOM 1339 CG2 VAL B 123 10.898 -1.638 12.023 1.00 0.00 C ATOM 0 H VAL B 123 8.101 -2.445 11.097 1.00 0.00 H new ATOM 0 HA VAL B 123 8.650 -0.742 13.434 1.00 0.00 H new ATOM 0 HB VAL B 123 9.749 -0.536 10.603 1.00 0.00 H new ATOM 0 HG11 VAL B 123 11.386 1.000 11.615 1.00 0.00 H new ATOM 0 HG12 VAL B 123 9.718 1.593 11.800 1.00 0.00 H new ATOM 0 HG13 VAL B 123 10.555 0.845 13.181 1.00 0.00 H new ATOM 0 HG21 VAL B 123 11.851 -1.421 11.541 1.00 0.00 H new ATOM 0 HG22 VAL B 123 11.039 -1.680 13.103 1.00 0.00 H new ATOM 0 HG23 VAL B 123 10.523 -2.598 11.669 1.00 0.00 H new ATOM 1349 N LYS B 124 7.064 1.054 12.782 1.00 0.00 N ATOM 1350 CA LYS B 124 6.091 2.085 12.448 1.00 0.00 C ATOM 1351 C LYS B 124 6.789 3.389 12.079 1.00 0.00 C ATOM 1352 O LYS B 124 7.561 3.936 12.866 1.00 0.00 O ATOM 1353 CB LYS B 124 5.137 2.318 13.621 1.00 0.00 C ATOM 1354 CG LYS B 124 3.728 2.699 13.196 1.00 0.00 C ATOM 1355 CD LYS B 124 3.689 4.081 12.564 1.00 0.00 C ATOM 1356 CE LYS B 124 4.171 5.151 13.532 1.00 0.00 C ATOM 1357 NZ LYS B 124 3.950 6.524 12.998 1.00 0.00 N ATOM 0 H LYS B 124 7.353 1.049 13.760 1.00 0.00 H new ATOM 0 HA LYS B 124 5.517 1.743 11.587 1.00 0.00 H new ATOM 0 HB2 LYS B 124 5.092 1.413 14.227 1.00 0.00 H new ATOM 0 HB3 LYS B 124 5.541 3.107 14.256 1.00 0.00 H new ATOM 0 HG2 LYS B 124 3.350 1.963 12.487 1.00 0.00 H new ATOM 0 HG3 LYS B 124 3.067 2.676 14.062 1.00 0.00 H new ATOM 0 HD2 LYS B 124 4.312 4.091 11.670 1.00 0.00 H new ATOM 0 HD3 LYS B 124 2.671 4.308 12.246 1.00 0.00 H new ATOM 0 HE2 LYS B 124 3.648 5.043 14.482 1.00 0.00 H new ATOM 0 HE3 LYS B 124 5.232 5.006 13.734 1.00 0.00 H new ATOM 0 HZ1 LYS B 124 4.213 7.224 13.721 1.00 0.00 H new ATOM 0 HZ2 LYS B 124 4.535 6.665 12.150 1.00 0.00 H new ATOM 0 HZ3 LYS B 124 2.947 6.643 12.750 1.00 0.00 H new ATOM 1371 N ILE B 125 6.513 3.882 10.876 1.00 0.00 N ATOM 1372 CA ILE B 125 7.115 5.123 10.401 1.00 0.00 C ATOM 1373 C ILE B 125 6.091 5.989 9.677 1.00 0.00 C ATOM 1374 O ILE B 125 6.508 6.938 8.980 1.00 0.00 O ATOM 1375 CB ILE B 125 8.302 4.850 9.455 1.00 0.00 C ATOM 1376 CG1 ILE B 125 7.927 3.794 8.410 1.00 0.00 C ATOM 1377 CG2 ILE B 125 9.521 4.406 10.250 1.00 0.00 C ATOM 1378 CD1 ILE B 125 7.284 4.372 7.168 1.00 0.00 C ATOM 1379 OXT ILE B 125 4.881 5.711 9.811 1.00 0.00 O ATOM 0 H ILE B 125 5.876 3.441 10.212 1.00 0.00 H new ATOM 0 HA ILE B 125 7.478 5.653 11.281 1.00 0.00 H new ATOM 0 HB ILE B 125 8.547 5.775 8.933 1.00 0.00 H new ATOM 0 HG12 ILE B 125 8.824 3.245 8.123 1.00 0.00 H new ATOM 0 HG13 ILE B 125 7.244 3.075 8.862 1.00 0.00 H new ATOM 0 HG21 ILE B 125 10.351 4.217 9.569 1.00 0.00 H new ATOM 0 HG22 ILE B 125 9.801 5.189 10.954 1.00 0.00 H new ATOM 0 HG23 ILE B 125 9.286 3.493 10.797 1.00 0.00 H new ATOM 0 HD11 ILE B 125 7.046 3.567 6.473 1.00 0.00 H new ATOM 0 HD12 ILE B 125 6.369 4.897 7.443 1.00 0.00 H new ATOM 0 HD13 ILE B 125 7.973 5.069 6.692 1.00 0.00 H new