USER MOD reduce.3.24.130724 H: found=0, std=0, add=761, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 760 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 97 SER OG : rot -108:sc= -0.336 USER MOD Set 1.2: A 99 HIS : no HD1:sc= -0.171 K(o=-0.51,f=-2.1) USER MOD Set 2.1: A 21 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 75 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 71 SER OG : rot -40:sc= 0.0969 USER MOD Set 3.2: A 73 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 28 SER OG : rot -88:sc= 1.14 USER MOD Set 4.2: A 72 ASN : amide:sc= -0.16 K(o=0.98,f=-3.1!) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 GLN : amide:sc= -2.64 K(o=-2.6,f=-7.7!) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 SER OG : rot 43:sc= 0.666 USER MOD Single : A 11 SER OG : rot 180:sc= -0.483 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= -0.023 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.573 X(o=-0.57,f=-0.54) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.966 K(o=-0.97,f=-0.37) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -2.79 K(o=-2.8,f=-9.5!) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=-0.33) USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -2.25! K(o=-2.2!,f=-1) USER MOD Single : A 54 GLN : amide:sc= -0.235 X(o=-0.24,f=-0.048) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -0.0573 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0.0867 USER MOD Single : A 89 TYR OH : rot 180:sc= -0.422 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.6 K(o=-1.6,f=-2.6!) USER MOD Single : A 93 SER OG : rot 160:sc= -0.993 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 98 ASN : amide:sc= -0.102 X(o=-0.1,f=0) USER MOD Single : A 106 THR OG1 : rot -78:sc= 0.14 USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 37 N MET A 3 74.415 7.818 -12.854 1.00 0.00 N ATOM 38 CA MET A 3 75.355 6.722 -12.645 1.00 0.00 C ATOM 39 C MET A 3 76.146 6.933 -11.354 1.00 0.00 C ATOM 40 O MET A 3 76.299 8.068 -10.904 1.00 0.00 O ATOM 41 CB MET A 3 76.315 6.638 -13.836 1.00 0.00 C ATOM 42 CG MET A 3 75.667 5.885 -15.002 1.00 0.00 C ATOM 43 SD MET A 3 76.920 5.519 -16.255 1.00 0.00 S ATOM 44 CE MET A 3 75.928 4.352 -17.221 1.00 0.00 C ATOM 0 HA MET A 3 74.797 5.790 -12.560 1.00 0.00 H new ATOM 0 HB2 MET A 3 76.595 7.642 -14.156 1.00 0.00 H new ATOM 0 HB3 MET A 3 77.232 6.132 -13.535 1.00 0.00 H new ATOM 0 HG2 MET A 3 75.214 4.960 -14.645 1.00 0.00 H new ATOM 0 HG3 MET A 3 74.867 6.485 -15.437 1.00 0.00 H new ATOM 0 HE1 MET A 3 76.514 3.988 -18.065 1.00 0.00 H new ATOM 0 HE2 MET A 3 75.639 3.511 -16.591 1.00 0.00 H new ATOM 0 HE3 MET A 3 75.033 4.853 -17.589 1.00 0.00 H new ATOM 54 N LEU A 4 76.759 5.874 -10.825 1.00 0.00 N ATOM 55 CA LEU A 4 77.588 5.986 -9.630 1.00 0.00 C ATOM 56 C LEU A 4 79.065 5.911 -10.003 1.00 0.00 C ATOM 57 O LEU A 4 79.459 5.124 -10.864 1.00 0.00 O ATOM 58 CB LEU A 4 77.243 4.840 -8.675 1.00 0.00 C ATOM 59 CG LEU A 4 75.794 4.980 -8.188 1.00 0.00 C ATOM 60 CD1 LEU A 4 75.204 3.606 -7.857 1.00 0.00 C ATOM 61 CD2 LEU A 4 75.742 5.854 -6.932 1.00 0.00 C ATOM 0 H LEU A 4 76.696 4.930 -11.207 1.00 0.00 H new ATOM 0 HA LEU A 4 77.396 6.945 -9.148 1.00 0.00 H new ATOM 0 HB2 LEU A 4 77.375 3.883 -9.180 1.00 0.00 H new ATOM 0 HB3 LEU A 4 77.924 4.848 -7.824 1.00 0.00 H new ATOM 0 HG LEU A 4 75.212 5.443 -8.985 1.00 0.00 H new ATOM 0 HD11 LEU A 4 74.176 3.724 -7.513 1.00 0.00 H new ATOM 0 HD12 LEU A 4 75.218 2.979 -8.749 1.00 0.00 H new ATOM 0 HD13 LEU A 4 75.797 3.135 -7.073 1.00 0.00 H new ATOM 0 HD21 LEU A 4 74.709 5.946 -6.596 1.00 0.00 H new ATOM 0 HD22 LEU A 4 76.341 5.396 -6.145 1.00 0.00 H new ATOM 0 HD23 LEU A 4 76.139 6.843 -7.160 1.00 0.00 H new ATOM 73 N THR A 5 79.880 6.713 -9.326 1.00 0.00 N ATOM 74 CA THR A 5 81.317 6.758 -9.578 1.00 0.00 C ATOM 75 C THR A 5 82.073 6.437 -8.292 1.00 0.00 C ATOM 76 O THR A 5 81.852 7.062 -7.255 1.00 0.00 O ATOM 77 CB THR A 5 81.690 8.148 -10.105 1.00 0.00 C ATOM 78 OG1 THR A 5 81.441 8.200 -11.502 1.00 0.00 O ATOM 79 CG2 THR A 5 83.167 8.466 -9.855 1.00 0.00 C ATOM 0 H THR A 5 79.566 7.347 -8.591 1.00 0.00 H new ATOM 0 HA THR A 5 81.591 6.015 -10.327 1.00 0.00 H new ATOM 0 HB THR A 5 81.084 8.884 -9.576 1.00 0.00 H new ATOM 0 HG1 THR A 5 81.676 9.088 -11.843 1.00 0.00 H new ATOM 0 HG21 THR A 5 83.396 9.459 -10.242 1.00 0.00 H new ATOM 0 HG22 THR A 5 83.369 8.438 -8.784 1.00 0.00 H new ATOM 0 HG23 THR A 5 83.789 7.728 -10.361 1.00 0.00 H new ATOM 87 N GLN A 6 83.023 5.510 -8.388 1.00 0.00 N ATOM 88 CA GLN A 6 83.835 5.117 -7.239 1.00 0.00 C ATOM 89 C GLN A 6 85.299 5.012 -7.665 1.00 0.00 C ATOM 90 O GLN A 6 85.610 5.167 -8.846 1.00 0.00 O ATOM 91 CB GLN A 6 83.334 3.785 -6.663 1.00 0.00 C ATOM 92 CG GLN A 6 81.902 3.502 -7.126 1.00 0.00 C ATOM 93 CD GLN A 6 81.427 2.174 -6.547 1.00 0.00 C ATOM 94 OE1 GLN A 6 80.514 1.550 -7.089 1.00 0.00 O ATOM 95 NE2 GLN A 6 82.061 1.651 -5.533 1.00 0.00 N ATOM 0 H GLN A 6 83.250 5.016 -9.251 1.00 0.00 H new ATOM 0 HA GLN A 6 83.749 5.872 -6.458 1.00 0.00 H new ATOM 0 HB2 GLN A 6 83.991 2.975 -6.980 1.00 0.00 H new ATOM 0 HB3 GLN A 6 83.370 3.817 -5.574 1.00 0.00 H new ATOM 0 HG2 GLN A 6 81.240 4.307 -6.806 1.00 0.00 H new ATOM 0 HG3 GLN A 6 81.861 3.470 -8.215 1.00 0.00 H new ATOM 0 HE21 GLN A 6 82.817 2.167 -5.083 1.00 0.00 H new ATOM 0 HE22 GLN A 6 81.800 0.726 -5.190 1.00 0.00 H new ATOM 104 N PRO A 7 86.187 4.658 -6.774 1.00 0.00 N ATOM 105 CA PRO A 7 87.624 4.475 -7.122 1.00 0.00 C ATOM 106 C PRO A 7 87.830 3.241 -7.996 1.00 0.00 C ATOM 107 O PRO A 7 87.160 2.225 -7.814 1.00 0.00 O ATOM 108 CB PRO A 7 88.346 4.342 -5.774 1.00 0.00 C ATOM 109 CG PRO A 7 87.328 4.599 -4.708 1.00 0.00 C ATOM 110 CD PRO A 7 85.948 4.419 -5.341 1.00 0.00 C ATOM 0 HA PRO A 7 88.012 5.310 -7.705 1.00 0.00 H new ATOM 0 HB2 PRO A 7 88.778 3.347 -5.664 1.00 0.00 H new ATOM 0 HB3 PRO A 7 89.167 5.055 -5.704 1.00 0.00 H new ATOM 0 HG2 PRO A 7 87.461 3.908 -3.875 1.00 0.00 H new ATOM 0 HG3 PRO A 7 87.438 5.607 -4.307 1.00 0.00 H new ATOM 0 HD2 PRO A 7 85.553 3.419 -5.162 1.00 0.00 H new ATOM 0 HD3 PRO A 7 85.225 5.125 -4.932 1.00 0.00 H new ATOM 118 N HIS A 8 88.847 3.290 -8.850 1.00 0.00 N ATOM 119 CA HIS A 8 89.181 2.146 -9.689 1.00 0.00 C ATOM 120 C HIS A 8 89.639 0.971 -8.831 1.00 0.00 C ATOM 121 O HIS A 8 89.299 -0.180 -9.107 1.00 0.00 O ATOM 122 CB HIS A 8 90.287 2.534 -10.675 1.00 0.00 C ATOM 123 CG HIS A 8 89.711 3.321 -11.820 1.00 0.00 C ATOM 124 ND1 HIS A 8 89.757 2.856 -13.124 1.00 0.00 N ATOM 125 CD2 HIS A 8 89.000 4.497 -11.867 1.00 0.00 C ATOM 126 CE1 HIS A 8 89.147 3.765 -13.903 1.00 0.00 C ATOM 127 NE2 HIS A 8 88.670 4.787 -13.189 1.00 0.00 N ATOM 0 H HIS A 8 89.450 4.103 -8.979 1.00 0.00 H new ATOM 0 HA HIS A 8 88.292 1.846 -10.243 1.00 0.00 H new ATOM 0 HB2 HIS A 8 91.048 3.125 -10.165 1.00 0.00 H new ATOM 0 HB3 HIS A 8 90.779 1.637 -11.052 1.00 0.00 H new ATOM 0 HD2 HIS A 8 88.738 5.102 -11.012 1.00 0.00 H new ATOM 0 HE1 HIS A 8 89.054 3.679 -14.976 1.00 0.00 H new ATOM 0 HE2 HIS A 8 88.171 5.605 -13.537 1.00 0.00 H new ATOM 135 N SER A 9 90.464 1.265 -7.831 1.00 0.00 N ATOM 136 CA SER A 9 91.001 0.226 -6.960 1.00 0.00 C ATOM 137 C SER A 9 91.821 0.869 -5.848 1.00 0.00 C ATOM 138 O SER A 9 92.212 2.032 -5.949 1.00 0.00 O ATOM 139 CB SER A 9 91.884 -0.741 -7.751 1.00 0.00 C ATOM 140 OG SER A 9 92.436 -1.704 -6.866 1.00 0.00 O ATOM 0 H SER A 9 90.774 2.210 -7.604 1.00 0.00 H new ATOM 0 HA SER A 9 90.169 -0.333 -6.532 1.00 0.00 H new ATOM 0 HB2 SER A 9 91.298 -1.236 -8.525 1.00 0.00 H new ATOM 0 HB3 SER A 9 92.681 -0.194 -8.255 1.00 0.00 H new ATOM 0 HG SER A 9 91.745 -2.008 -6.241 1.00 0.00 H new ATOM 146 N VAL A 10 92.023 0.133 -4.761 1.00 0.00 N ATOM 147 CA VAL A 10 92.744 0.669 -3.613 1.00 0.00 C ATOM 148 C VAL A 10 93.290 -0.464 -2.751 1.00 0.00 C ATOM 149 O VAL A 10 92.740 -1.565 -2.729 1.00 0.00 O ATOM 150 CB VAL A 10 91.821 1.566 -2.782 1.00 0.00 C ATOM 151 CG1 VAL A 10 90.545 0.805 -2.414 1.00 0.00 C ATOM 152 CG2 VAL A 10 92.543 2.011 -1.508 1.00 0.00 C ATOM 0 H VAL A 10 91.701 -0.828 -4.651 1.00 0.00 H new ATOM 0 HA VAL A 10 93.582 1.264 -3.976 1.00 0.00 H new ATOM 0 HB VAL A 10 91.554 2.444 -3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 10 89.894 1.450 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 10 90.027 0.502 -3.324 1.00 0.00 H new ATOM 0 HG13 VAL A 10 90.804 -0.080 -1.832 1.00 0.00 H new ATOM 0 HG21 VAL A 10 91.883 2.649 -0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 10 92.819 1.135 -0.921 1.00 0.00 H new ATOM 0 HG23 VAL A 10 93.442 2.567 -1.775 1.00 0.00 H new ATOM 162 N SER A 11 94.394 -0.188 -2.062 1.00 0.00 N ATOM 163 CA SER A 11 95.042 -1.184 -1.217 1.00 0.00 C ATOM 164 C SER A 11 95.541 -0.538 0.071 1.00 0.00 C ATOM 165 O SER A 11 95.882 0.644 0.088 1.00 0.00 O ATOM 166 CB SER A 11 96.215 -1.815 -1.968 1.00 0.00 C ATOM 167 OG SER A 11 95.740 -2.451 -3.146 1.00 0.00 O ATOM 0 H SER A 11 94.859 0.720 -2.073 1.00 0.00 H new ATOM 0 HA SER A 11 94.317 -1.958 -0.965 1.00 0.00 H new ATOM 0 HB2 SER A 11 96.948 -1.051 -2.226 1.00 0.00 H new ATOM 0 HB3 SER A 11 96.721 -2.540 -1.330 1.00 0.00 H new ATOM 0 HG SER A 11 96.493 -2.853 -3.627 1.00 0.00 H new ATOM 173 N GLU A 12 95.622 -1.329 1.138 1.00 0.00 N ATOM 174 CA GLU A 12 96.096 -0.828 2.424 1.00 0.00 C ATOM 175 C GLU A 12 96.643 -1.979 3.262 1.00 0.00 C ATOM 176 O GLU A 12 96.390 -3.148 2.969 1.00 0.00 O ATOM 177 CB GLU A 12 94.946 -0.130 3.164 1.00 0.00 C ATOM 178 CG GLU A 12 95.112 1.392 3.138 1.00 0.00 C ATOM 179 CD GLU A 12 96.382 1.792 3.883 1.00 0.00 C ATOM 180 OE1 GLU A 12 97.006 0.916 4.459 1.00 0.00 O ATOM 181 OE2 GLU A 12 96.752 2.951 3.800 1.00 0.00 O ATOM 0 H GLU A 12 95.366 -2.316 1.137 1.00 0.00 H new ATOM 0 HA GLU A 12 96.897 -0.108 2.256 1.00 0.00 H new ATOM 0 HB2 GLU A 12 93.996 -0.402 2.704 1.00 0.00 H new ATOM 0 HB3 GLU A 12 94.911 -0.477 4.197 1.00 0.00 H new ATOM 0 HG2 GLU A 12 95.160 1.743 2.107 1.00 0.00 H new ATOM 0 HG3 GLU A 12 94.246 1.868 3.597 1.00 0.00 H new ATOM 188 N SER A 13 97.440 -1.648 4.275 1.00 0.00 N ATOM 189 CA SER A 13 98.039 -2.663 5.136 1.00 0.00 C ATOM 190 C SER A 13 97.239 -2.801 6.430 1.00 0.00 C ATOM 191 O SER A 13 96.678 -1.819 6.915 1.00 0.00 O ATOM 192 CB SER A 13 99.491 -2.281 5.443 1.00 0.00 C ATOM 193 OG SER A 13 99.632 -1.926 6.811 1.00 0.00 O ATOM 0 H SER A 13 97.685 -0.688 4.519 1.00 0.00 H new ATOM 0 HA SER A 13 98.024 -3.624 4.621 1.00 0.00 H new ATOM 0 HB2 SER A 13 100.151 -3.116 5.208 1.00 0.00 H new ATOM 0 HB3 SER A 13 99.795 -1.447 4.811 1.00 0.00 H new ATOM 0 HG SER A 13 100.565 -1.686 6.992 1.00 0.00 H new ATOM 199 N PRO A 14 97.272 -3.940 7.070 1.00 0.00 N ATOM 200 CA PRO A 14 96.510 -4.141 8.334 1.00 0.00 C ATOM 201 C PRO A 14 96.924 -3.114 9.383 1.00 0.00 C ATOM 202 O PRO A 14 98.101 -2.774 9.499 1.00 0.00 O ATOM 203 CB PRO A 14 96.839 -5.573 8.779 1.00 0.00 C ATOM 204 CG PRO A 14 97.784 -6.147 7.770 1.00 0.00 C ATOM 205 CD PRO A 14 97.821 -5.207 6.563 1.00 0.00 C ATOM 0 HA PRO A 14 95.437 -4.007 8.195 1.00 0.00 H new ATOM 0 HB2 PRO A 14 97.290 -5.573 9.771 1.00 0.00 H new ATOM 0 HB3 PRO A 14 95.932 -6.174 8.841 1.00 0.00 H new ATOM 0 HG2 PRO A 14 98.780 -6.254 8.199 1.00 0.00 H new ATOM 0 HG3 PRO A 14 97.459 -7.142 7.467 1.00 0.00 H new ATOM 0 HD2 PRO A 14 98.837 -5.079 6.190 1.00 0.00 H new ATOM 0 HD3 PRO A 14 97.225 -5.596 5.738 1.00 0.00 H new ATOM 213 N GLY A 15 95.951 -2.619 10.141 1.00 0.00 N ATOM 214 CA GLY A 15 96.220 -1.632 11.182 1.00 0.00 C ATOM 215 C GLY A 15 95.898 -0.221 10.702 1.00 0.00 C ATOM 216 O GLY A 15 95.494 0.630 11.495 1.00 0.00 O ATOM 0 H GLY A 15 94.970 -2.884 10.055 1.00 0.00 H new ATOM 0 HA2 GLY A 15 95.626 -1.862 12.067 1.00 0.00 H new ATOM 0 HA3 GLY A 15 97.268 -1.688 11.478 1.00 0.00 H new ATOM 220 N LYS A 16 96.044 0.011 9.400 1.00 0.00 N ATOM 221 CA LYS A 16 95.712 1.309 8.824 1.00 0.00 C ATOM 222 C LYS A 16 94.196 1.440 8.719 1.00 0.00 C ATOM 223 O LYS A 16 93.459 0.726 9.398 1.00 0.00 O ATOM 224 CB LYS A 16 96.369 1.449 7.442 1.00 0.00 C ATOM 225 CG LYS A 16 97.512 2.468 7.463 1.00 0.00 C ATOM 226 CD LYS A 16 98.691 1.890 8.249 1.00 0.00 C ATOM 227 CE LYS A 16 99.838 2.902 8.266 1.00 0.00 C ATOM 228 NZ LYS A 16 100.915 2.413 9.172 1.00 0.00 N ATOM 0 H LYS A 16 96.387 -0.677 8.730 1.00 0.00 H new ATOM 0 HA LYS A 16 96.090 2.106 9.464 1.00 0.00 H new ATOM 0 HB2 LYS A 16 96.750 0.480 7.120 1.00 0.00 H new ATOM 0 HB3 LYS A 16 95.620 1.756 6.712 1.00 0.00 H new ATOM 0 HG2 LYS A 16 97.821 2.706 6.445 1.00 0.00 H new ATOM 0 HG3 LYS A 16 97.176 3.399 7.921 1.00 0.00 H new ATOM 0 HD2 LYS A 16 98.383 1.656 9.268 1.00 0.00 H new ATOM 0 HD3 LYS A 16 99.022 0.956 7.794 1.00 0.00 H new ATOM 0 HE2 LYS A 16 100.230 3.041 7.259 1.00 0.00 H new ATOM 0 HE3 LYS A 16 99.476 3.873 8.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 101.696 3.100 9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 100.536 2.302 10.134 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 101.266 1.496 8.830 1.00 0.00 H new ATOM 242 N THR A 17 93.750 2.440 7.965 1.00 0.00 N ATOM 243 CA THR A 17 92.329 2.642 7.707 1.00 0.00 C ATOM 244 C THR A 17 92.071 2.742 6.210 1.00 0.00 C ATOM 245 O THR A 17 92.985 2.998 5.427 1.00 0.00 O ATOM 246 CB THR A 17 91.858 3.925 8.392 1.00 0.00 C ATOM 247 OG1 THR A 17 92.607 5.030 7.908 1.00 0.00 O ATOM 248 CG2 THR A 17 92.067 3.781 9.900 1.00 0.00 C ATOM 0 H THR A 17 94.358 3.127 7.519 1.00 0.00 H new ATOM 0 HA THR A 17 91.777 1.791 8.105 1.00 0.00 H new ATOM 0 HB THR A 17 90.803 4.093 8.178 1.00 0.00 H new ATOM 0 HG1 THR A 17 92.301 5.850 8.348 1.00 0.00 H new ATOM 0 HG21 THR A 17 91.735 4.690 10.402 1.00 0.00 H new ATOM 0 HG22 THR A 17 91.491 2.932 10.268 1.00 0.00 H new ATOM 0 HG23 THR A 17 93.125 3.618 10.107 1.00 0.00 H new ATOM 256 N VAL A 18 90.801 2.651 5.829 1.00 0.00 N ATOM 257 CA VAL A 18 90.417 2.780 4.428 1.00 0.00 C ATOM 258 C VAL A 18 89.183 3.668 4.317 1.00 0.00 C ATOM 259 O VAL A 18 88.230 3.539 5.084 1.00 0.00 O ATOM 260 CB VAL A 18 90.158 1.386 3.847 1.00 0.00 C ATOM 261 CG1 VAL A 18 89.328 1.467 2.564 1.00 0.00 C ATOM 262 CG2 VAL A 18 91.494 0.702 3.538 1.00 0.00 C ATOM 0 H VAL A 18 90.023 2.489 6.468 1.00 0.00 H new ATOM 0 HA VAL A 18 91.220 3.247 3.857 1.00 0.00 H new ATOM 0 HB VAL A 18 89.601 0.809 4.585 1.00 0.00 H new ATOM 0 HG11 VAL A 18 89.160 0.463 2.175 1.00 0.00 H new ATOM 0 HG12 VAL A 18 88.369 1.937 2.780 1.00 0.00 H new ATOM 0 HG13 VAL A 18 89.863 2.059 1.821 1.00 0.00 H new ATOM 0 HG21 VAL A 18 91.308 -0.289 3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 18 92.049 1.299 2.814 1.00 0.00 H new ATOM 0 HG23 VAL A 18 92.076 0.610 4.455 1.00 0.00 H new ATOM 272 N THR A 19 89.176 4.504 3.285 1.00 0.00 N ATOM 273 CA THR A 19 88.047 5.380 3.008 1.00 0.00 C ATOM 274 C THR A 19 87.621 5.197 1.556 1.00 0.00 C ATOM 275 O THR A 19 88.362 5.542 0.636 1.00 0.00 O ATOM 276 CB THR A 19 88.461 6.827 3.283 1.00 0.00 C ATOM 277 OG1 THR A 19 88.595 7.014 4.684 1.00 0.00 O ATOM 278 CG2 THR A 19 87.399 7.786 2.744 1.00 0.00 C ATOM 0 H THR A 19 89.947 4.593 2.623 1.00 0.00 H new ATOM 0 HA THR A 19 87.202 5.133 3.650 1.00 0.00 H new ATOM 0 HB THR A 19 89.410 7.031 2.787 1.00 0.00 H new ATOM 0 HG1 THR A 19 88.862 7.939 4.866 1.00 0.00 H new ATOM 0 HG21 THR A 19 87.702 8.814 2.944 1.00 0.00 H new ATOM 0 HG22 THR A 19 87.291 7.642 1.669 1.00 0.00 H new ATOM 0 HG23 THR A 19 86.446 7.586 3.234 1.00 0.00 H new ATOM 286 N ILE A 20 86.409 4.692 1.353 1.00 0.00 N ATOM 287 CA ILE A 20 85.879 4.501 0.007 1.00 0.00 C ATOM 288 C ILE A 20 84.836 5.568 -0.301 1.00 0.00 C ATOM 289 O ILE A 20 83.955 5.828 0.516 1.00 0.00 O ATOM 290 CB ILE A 20 85.237 3.118 -0.117 1.00 0.00 C ATOM 291 CG1 ILE A 20 86.281 2.056 0.235 1.00 0.00 C ATOM 292 CG2 ILE A 20 84.738 2.911 -1.550 1.00 0.00 C ATOM 293 CD1 ILE A 20 85.613 0.685 0.346 1.00 0.00 C ATOM 0 H ILE A 20 85.776 4.408 2.101 1.00 0.00 H new ATOM 0 HA ILE A 20 86.702 4.582 -0.703 1.00 0.00 H new ATOM 0 HB ILE A 20 84.390 3.036 0.565 1.00 0.00 H new ATOM 0 HG12 ILE A 20 87.058 2.031 -0.529 1.00 0.00 H new ATOM 0 HG13 ILE A 20 86.768 2.310 1.177 1.00 0.00 H new ATOM 0 HG21 ILE A 20 84.281 1.925 -1.637 1.00 0.00 H new ATOM 0 HG22 ILE A 20 84.000 3.676 -1.792 1.00 0.00 H new ATOM 0 HG23 ILE A 20 85.577 2.984 -2.242 1.00 0.00 H new ATOM 0 HD11 ILE A 20 86.362 -0.066 0.597 1.00 0.00 H new ATOM 0 HD12 ILE A 20 84.852 0.713 1.126 1.00 0.00 H new ATOM 0 HD13 ILE A 20 85.147 0.429 -0.606 1.00 0.00 H new ATOM 305 N SER A 21 84.973 6.218 -1.452 1.00 0.00 N ATOM 306 CA SER A 21 84.061 7.287 -1.849 1.00 0.00 C ATOM 307 C SER A 21 83.138 6.790 -2.959 1.00 0.00 C ATOM 308 O SER A 21 83.610 6.411 -4.029 1.00 0.00 O ATOM 309 CB SER A 21 84.882 8.499 -2.306 1.00 0.00 C ATOM 310 OG SER A 21 84.561 9.621 -1.496 1.00 0.00 O ATOM 0 H SER A 21 85.710 6.023 -2.130 1.00 0.00 H new ATOM 0 HA SER A 21 83.439 7.586 -1.005 1.00 0.00 H new ATOM 0 HB2 SER A 21 85.947 8.278 -2.234 1.00 0.00 H new ATOM 0 HB3 SER A 21 84.672 8.720 -3.352 1.00 0.00 H new ATOM 0 HG SER A 21 85.087 10.395 -1.787 1.00 0.00 H new ATOM 316 N CYS A 22 81.826 6.918 -2.767 1.00 0.00 N ATOM 317 CA CYS A 22 80.850 6.550 -3.794 1.00 0.00 C ATOM 318 C CYS A 22 80.091 7.826 -4.177 1.00 0.00 C ATOM 319 O CYS A 22 79.499 8.479 -3.318 1.00 0.00 O ATOM 320 CB CYS A 22 79.927 5.428 -3.266 1.00 0.00 C ATOM 321 SG CYS A 22 80.391 3.784 -3.905 1.00 0.00 S ATOM 0 H CYS A 22 81.412 7.275 -1.906 1.00 0.00 H new ATOM 0 HA CYS A 22 81.329 6.147 -4.687 1.00 0.00 H new ATOM 0 HB2 CYS A 22 79.963 5.414 -2.177 1.00 0.00 H new ATOM 0 HB3 CYS A 22 78.897 5.646 -3.548 1.00 0.00 H new ATOM 326 N THR A 23 80.207 8.266 -5.431 1.00 0.00 N ATOM 327 CA THR A 23 79.575 9.505 -5.887 1.00 0.00 C ATOM 328 C THR A 23 78.441 9.180 -6.853 1.00 0.00 C ATOM 329 O THR A 23 78.604 8.333 -7.730 1.00 0.00 O ATOM 330 CB THR A 23 80.575 10.411 -6.616 1.00 0.00 C ATOM 331 OG1 THR A 23 81.696 10.658 -5.780 1.00 0.00 O ATOM 332 CG2 THR A 23 79.937 11.758 -6.984 1.00 0.00 C ATOM 0 H THR A 23 80.737 7.779 -6.154 1.00 0.00 H new ATOM 0 HA THR A 23 79.199 10.024 -5.005 1.00 0.00 H new ATOM 0 HB THR A 23 80.883 9.901 -7.529 1.00 0.00 H new ATOM 0 HG1 THR A 23 82.333 11.236 -6.250 1.00 0.00 H new ATOM 0 HG21 THR A 23 80.670 12.379 -7.500 1.00 0.00 H new ATOM 0 HG22 THR A 23 79.081 11.589 -7.637 1.00 0.00 H new ATOM 0 HG23 THR A 23 79.607 12.264 -6.077 1.00 0.00 H new ATOM 340 N GLY A 24 77.335 9.915 -6.755 1.00 0.00 N ATOM 341 CA GLY A 24 76.156 9.650 -7.575 1.00 0.00 C ATOM 342 C GLY A 24 75.832 10.845 -8.466 1.00 0.00 C ATOM 343 O GLY A 24 76.145 11.986 -8.126 1.00 0.00 O ATOM 0 H GLY A 24 77.231 10.701 -6.113 1.00 0.00 H new ATOM 0 HA2 GLY A 24 76.328 8.768 -8.192 1.00 0.00 H new ATOM 0 HA3 GLY A 24 75.304 9.429 -6.933 1.00 0.00 H new ATOM 347 N SER A 25 75.146 10.584 -9.575 1.00 0.00 N ATOM 348 CA SER A 25 74.737 11.636 -10.501 1.00 0.00 C ATOM 349 C SER A 25 73.224 11.618 -10.689 1.00 0.00 C ATOM 350 O SER A 25 72.596 10.565 -10.578 1.00 0.00 O ATOM 351 CB SER A 25 75.414 11.433 -11.858 1.00 0.00 C ATOM 352 OG SER A 25 74.693 12.151 -12.849 1.00 0.00 O ATOM 0 H SER A 25 74.860 9.646 -9.856 1.00 0.00 H new ATOM 0 HA SER A 25 75.037 12.597 -10.083 1.00 0.00 H new ATOM 0 HB2 SER A 25 76.447 11.780 -11.819 1.00 0.00 H new ATOM 0 HB3 SER A 25 75.443 10.373 -12.109 1.00 0.00 H new ATOM 0 HG SER A 25 75.123 12.026 -13.721 1.00 0.00 H new ATOM 358 N SER A 26 72.631 12.798 -10.841 1.00 0.00 N ATOM 359 CA SER A 26 71.183 12.914 -10.984 1.00 0.00 C ATOM 360 C SER A 26 70.466 12.387 -9.745 1.00 0.00 C ATOM 361 O SER A 26 69.282 12.657 -9.545 1.00 0.00 O ATOM 362 CB SER A 26 70.704 12.145 -12.220 1.00 0.00 C ATOM 363 OG SER A 26 69.406 11.616 -11.986 1.00 0.00 O ATOM 0 H SER A 26 73.130 13.687 -10.868 1.00 0.00 H new ATOM 0 HA SER A 26 70.944 13.971 -11.102 1.00 0.00 H new ATOM 0 HB2 SER A 26 70.686 12.806 -13.086 1.00 0.00 H new ATOM 0 HB3 SER A 26 71.400 11.338 -12.449 1.00 0.00 H new ATOM 0 HG SER A 26 69.104 11.127 -12.780 1.00 0.00 H new ATOM 369 N GLY A 27 71.184 11.649 -8.904 1.00 0.00 N ATOM 370 CA GLY A 27 70.617 11.120 -7.669 1.00 0.00 C ATOM 371 C GLY A 27 71.578 11.366 -6.512 1.00 0.00 C ATOM 372 O GLY A 27 72.779 11.122 -6.626 1.00 0.00 O ATOM 0 H GLY A 27 72.162 11.403 -9.056 1.00 0.00 H new ATOM 0 HA2 GLY A 27 69.658 11.597 -7.465 1.00 0.00 H new ATOM 0 HA3 GLY A 27 70.426 10.052 -7.774 1.00 0.00 H new ATOM 376 N SER A 28 71.042 11.869 -5.405 1.00 0.00 N ATOM 377 CA SER A 28 71.863 12.192 -4.244 1.00 0.00 C ATOM 378 C SER A 28 71.823 11.049 -3.237 1.00 0.00 C ATOM 379 O SER A 28 70.777 10.450 -2.988 1.00 0.00 O ATOM 380 CB SER A 28 71.357 13.474 -3.579 1.00 0.00 C ATOM 381 OG SER A 28 71.116 14.462 -4.571 1.00 0.00 O ATOM 0 H SER A 28 70.047 12.061 -5.287 1.00 0.00 H new ATOM 0 HA SER A 28 72.890 12.341 -4.578 1.00 0.00 H new ATOM 0 HB2 SER A 28 70.441 13.271 -3.024 1.00 0.00 H new ATOM 0 HB3 SER A 28 72.092 13.837 -2.860 1.00 0.00 H new ATOM 0 HG SER A 28 71.941 14.963 -4.741 1.00 0.00 H new ATOM 387 N ILE A 29 72.991 10.731 -2.695 1.00 0.00 N ATOM 388 CA ILE A 29 73.116 9.668 -1.704 1.00 0.00 C ATOM 389 C ILE A 29 72.393 10.022 -0.409 1.00 0.00 C ATOM 390 O ILE A 29 72.620 9.393 0.624 1.00 0.00 O ATOM 391 CB ILE A 29 74.592 9.386 -1.406 1.00 0.00 C ATOM 392 CG1 ILE A 29 75.261 10.570 -0.699 1.00 0.00 C ATOM 393 CG2 ILE A 29 75.329 9.098 -2.716 1.00 0.00 C ATOM 394 CD1 ILE A 29 75.072 11.873 -1.475 1.00 0.00 C ATOM 0 H ILE A 29 73.869 11.196 -2.925 1.00 0.00 H new ATOM 0 HA ILE A 29 72.652 8.775 -2.123 1.00 0.00 H new ATOM 0 HB ILE A 29 74.643 8.522 -0.743 1.00 0.00 H new ATOM 0 HG12 ILE A 29 74.844 10.679 0.302 1.00 0.00 H new ATOM 0 HG13 ILE A 29 76.326 10.368 -0.580 1.00 0.00 H new ATOM 0 HG21 ILE A 29 76.380 8.897 -2.506 1.00 0.00 H new ATOM 0 HG22 ILE A 29 74.883 8.229 -3.201 1.00 0.00 H new ATOM 0 HG23 ILE A 29 75.250 9.962 -3.376 1.00 0.00 H new ATOM 0 HD11 ILE A 29 75.560 12.688 -0.941 1.00 0.00 H new ATOM 0 HD12 ILE A 29 75.513 11.773 -2.467 1.00 0.00 H new ATOM 0 HD13 ILE A 29 74.008 12.088 -1.571 1.00 0.00 H new ATOM 406 N ALA A 30 71.578 11.072 -0.450 1.00 0.00 N ATOM 407 CA ALA A 30 70.811 11.498 0.718 1.00 0.00 C ATOM 408 C ALA A 30 69.313 11.395 0.459 1.00 0.00 C ATOM 409 O ALA A 30 68.534 11.145 1.378 1.00 0.00 O ATOM 410 CB ALA A 30 71.163 12.947 1.057 1.00 0.00 C ATOM 0 H ALA A 30 71.431 11.645 -1.281 1.00 0.00 H new ATOM 0 HA ALA A 30 71.065 10.843 1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 30 70.591 13.266 1.928 1.00 0.00 H new ATOM 0 HB2 ALA A 30 72.228 13.021 1.275 1.00 0.00 H new ATOM 0 HB3 ALA A 30 70.921 13.588 0.209 1.00 0.00 H new ATOM 416 N SER A 31 68.923 11.562 -0.800 1.00 0.00 N ATOM 417 CA SER A 31 67.511 11.484 -1.158 1.00 0.00 C ATOM 418 C SER A 31 66.985 10.073 -0.916 1.00 0.00 C ATOM 419 O SER A 31 65.793 9.875 -0.683 1.00 0.00 O ATOM 420 CB SER A 31 67.322 11.866 -2.627 1.00 0.00 C ATOM 421 OG SER A 31 67.455 13.273 -2.772 1.00 0.00 O ATOM 0 H SER A 31 69.554 11.750 -1.579 1.00 0.00 H new ATOM 0 HA SER A 31 66.951 12.181 -0.534 1.00 0.00 H new ATOM 0 HB2 SER A 31 68.060 11.355 -3.245 1.00 0.00 H new ATOM 0 HB3 SER A 31 66.340 11.545 -2.974 1.00 0.00 H new ATOM 0 HG SER A 31 67.336 13.518 -3.713 1.00 0.00 H new ATOM 427 N ASN A 32 67.904 9.116 -0.842 1.00 0.00 N ATOM 428 CA ASN A 32 67.544 7.715 -0.654 1.00 0.00 C ATOM 429 C ASN A 32 68.595 7.010 0.195 1.00 0.00 C ATOM 430 O ASN A 32 69.672 7.553 0.443 1.00 0.00 O ATOM 431 CB ASN A 32 67.449 7.009 -2.008 1.00 0.00 C ATOM 432 CG ASN A 32 66.318 7.605 -2.839 1.00 0.00 C ATOM 433 OD1 ASN A 32 65.148 7.297 -2.610 1.00 0.00 O ATOM 434 ND2 ASN A 32 66.603 8.428 -3.810 1.00 0.00 N ATOM 0 H ASN A 32 68.907 9.286 -0.910 1.00 0.00 H new ATOM 0 HA ASN A 32 66.579 7.675 -0.150 1.00 0.00 H new ATOM 0 HB2 ASN A 32 68.393 7.107 -2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 32 67.277 5.943 -1.858 1.00 0.00 H new ATOM 0 HD21 ASN A 32 65.855 8.819 -4.383 1.00 0.00 H new ATOM 0 HD22 ASN A 32 67.574 8.680 -3.996 1.00 0.00 H new ATOM 441 N TYR A 33 68.264 5.811 0.662 1.00 0.00 N ATOM 442 CA TYR A 33 69.157 5.069 1.545 1.00 0.00 C ATOM 443 C TYR A 33 70.218 4.343 0.724 1.00 0.00 C ATOM 444 O TYR A 33 69.938 3.888 -0.385 1.00 0.00 O ATOM 445 CB TYR A 33 68.346 4.052 2.352 1.00 0.00 C ATOM 446 CG TYR A 33 67.059 4.694 2.815 1.00 0.00 C ATOM 447 CD1 TYR A 33 67.102 5.844 3.614 1.00 0.00 C ATOM 448 CD2 TYR A 33 65.824 4.170 2.412 1.00 0.00 C ATOM 449 CE1 TYR A 33 65.913 6.441 4.047 1.00 0.00 C ATOM 450 CE2 TYR A 33 64.635 4.777 2.831 1.00 0.00 C ATOM 451 CZ TYR A 33 64.679 5.912 3.649 1.00 0.00 C ATOM 452 OH TYR A 33 63.506 6.511 4.058 1.00 0.00 O ATOM 0 H TYR A 33 67.389 5.334 0.445 1.00 0.00 H new ATOM 0 HA TYR A 33 69.649 5.765 2.224 1.00 0.00 H new ATOM 0 HB2 TYR A 33 68.129 3.176 1.741 1.00 0.00 H new ATOM 0 HB3 TYR A 33 68.923 3.708 3.210 1.00 0.00 H new ATOM 0 HD1 TYR A 33 68.054 6.270 3.896 1.00 0.00 H new ATOM 0 HD2 TYR A 33 65.790 3.297 1.777 1.00 0.00 H new ATOM 0 HE1 TYR A 33 65.947 7.310 4.688 1.00 0.00 H new ATOM 0 HE2 TYR A 33 63.683 4.370 2.523 1.00 0.00 H new ATOM 0 HH TYR A 33 62.742 6.018 3.692 1.00 0.00 H new ATOM 462 N VAL A 34 71.425 4.219 1.271 1.00 0.00 N ATOM 463 CA VAL A 34 72.514 3.534 0.581 1.00 0.00 C ATOM 464 C VAL A 34 73.089 2.452 1.488 1.00 0.00 C ATOM 465 O VAL A 34 73.175 2.637 2.702 1.00 0.00 O ATOM 466 CB VAL A 34 73.606 4.539 0.199 1.00 0.00 C ATOM 467 CG1 VAL A 34 74.811 3.781 -0.369 1.00 0.00 C ATOM 468 CG2 VAL A 34 73.075 5.553 -0.826 1.00 0.00 C ATOM 0 H VAL A 34 71.673 4.584 2.190 1.00 0.00 H new ATOM 0 HA VAL A 34 72.132 3.072 -0.329 1.00 0.00 H new ATOM 0 HB VAL A 34 73.912 5.091 1.087 1.00 0.00 H new ATOM 0 HG11 VAL A 34 75.591 4.491 -0.643 1.00 0.00 H new ATOM 0 HG12 VAL A 34 75.195 3.092 0.383 1.00 0.00 H new ATOM 0 HG13 VAL A 34 74.505 3.220 -1.252 1.00 0.00 H new ATOM 0 HG21 VAL A 34 73.866 6.258 -1.084 1.00 0.00 H new ATOM 0 HG22 VAL A 34 72.751 5.027 -1.724 1.00 0.00 H new ATOM 0 HG23 VAL A 34 72.231 6.095 -0.398 1.00 0.00 H new ATOM 478 N GLN A 35 73.418 1.300 0.910 1.00 0.00 N ATOM 479 CA GLN A 35 73.955 0.185 1.683 1.00 0.00 C ATOM 480 C GLN A 35 75.297 -0.251 1.110 1.00 0.00 C ATOM 481 O GLN A 35 75.587 -0.024 -0.065 1.00 0.00 O ATOM 482 CB GLN A 35 72.984 -0.999 1.655 1.00 0.00 C ATOM 483 CG GLN A 35 71.567 -0.549 2.032 1.00 0.00 C ATOM 484 CD GLN A 35 70.753 -0.212 0.786 1.00 0.00 C ATOM 485 OE1 GLN A 35 70.053 0.800 0.755 1.00 0.00 O ATOM 486 NE2 GLN A 35 70.762 -1.037 -0.225 1.00 0.00 N ATOM 0 H GLN A 35 73.322 1.115 -0.088 1.00 0.00 H new ATOM 0 HA GLN A 35 74.090 0.514 2.713 1.00 0.00 H new ATOM 0 HB2 GLN A 35 72.976 -1.446 0.661 1.00 0.00 H new ATOM 0 HB3 GLN A 35 73.322 -1.769 2.348 1.00 0.00 H new ATOM 0 HG2 GLN A 35 71.068 -1.338 2.595 1.00 0.00 H new ATOM 0 HG3 GLN A 35 71.619 0.323 2.684 1.00 0.00 H new ATOM 0 HE21 GLN A 35 71.344 -1.874 -0.195 1.00 0.00 H new ATOM 0 HE22 GLN A 35 70.187 -0.844 -1.045 1.00 0.00 H new ATOM 495 N TRP A 36 76.149 -0.793 1.975 1.00 0.00 N ATOM 496 CA TRP A 36 77.480 -1.228 1.566 1.00 0.00 C ATOM 497 C TRP A 36 77.525 -2.749 1.473 1.00 0.00 C ATOM 498 O TRP A 36 76.967 -3.453 2.315 1.00 0.00 O ATOM 499 CB TRP A 36 78.527 -0.754 2.574 1.00 0.00 C ATOM 500 CG TRP A 36 78.628 0.738 2.526 1.00 0.00 C ATOM 501 CD1 TRP A 36 77.848 1.601 3.216 1.00 0.00 C ATOM 502 CD2 TRP A 36 79.526 1.555 1.718 1.00 0.00 C ATOM 503 NE1 TRP A 36 78.231 2.893 2.909 1.00 0.00 N ATOM 504 CE2 TRP A 36 79.262 2.920 1.992 1.00 0.00 C ATOM 505 CE3 TRP A 36 80.571 1.248 0.831 1.00 0.00 C ATOM 506 CZ2 TRP A 36 79.975 3.945 1.360 1.00 0.00 C ATOM 507 CZ3 TRP A 36 81.284 2.271 0.193 1.00 0.00 C ATOM 508 CH2 TRP A 36 80.974 3.615 0.437 1.00 0.00 C ATOM 0 H TRP A 36 75.942 -0.941 2.963 1.00 0.00 H new ATOM 0 HA TRP A 36 77.700 -0.795 0.590 1.00 0.00 H new ATOM 0 HB2 TRP A 36 78.253 -1.078 3.578 1.00 0.00 H new ATOM 0 HB3 TRP A 36 79.494 -1.202 2.347 1.00 0.00 H new ATOM 0 HD1 TRP A 36 77.055 1.326 3.896 1.00 0.00 H new ATOM 0 HE1 TRP A 36 77.803 3.727 3.312 1.00 0.00 H new ATOM 0 HE3 TRP A 36 80.826 0.216 0.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 79.757 4.979 1.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 82.080 2.021 -0.493 1.00 0.00 H new ATOM 0 HH2 TRP A 36 81.505 4.396 -0.087 1.00 0.00 H new ATOM 519 N TYR A 37 78.215 -3.244 0.452 1.00 0.00 N ATOM 520 CA TYR A 37 78.326 -4.679 0.213 1.00 0.00 C ATOM 521 C TYR A 37 79.751 -5.016 -0.213 1.00 0.00 C ATOM 522 O TYR A 37 80.452 -4.186 -0.791 1.00 0.00 O ATOM 523 CB TYR A 37 77.329 -5.119 -0.864 1.00 0.00 C ATOM 524 CG TYR A 37 75.978 -5.399 -0.247 1.00 0.00 C ATOM 525 CD1 TYR A 37 75.072 -4.353 -0.033 1.00 0.00 C ATOM 526 CD2 TYR A 37 75.650 -6.701 0.147 1.00 0.00 C ATOM 527 CE1 TYR A 37 73.820 -4.618 0.535 1.00 0.00 C ATOM 528 CE2 TYR A 37 74.397 -6.967 0.713 1.00 0.00 C ATOM 529 CZ TYR A 37 73.488 -5.922 0.921 1.00 0.00 C ATOM 530 OH TYR A 37 72.263 -6.180 1.502 1.00 0.00 O ATOM 0 H TYR A 37 78.710 -2.668 -0.229 1.00 0.00 H new ATOM 0 HA TYR A 37 78.092 -5.214 1.134 1.00 0.00 H new ATOM 0 HB2 TYR A 37 77.236 -4.341 -1.622 1.00 0.00 H new ATOM 0 HB3 TYR A 37 77.698 -6.012 -1.368 1.00 0.00 H new ATOM 0 HD1 TYR A 37 75.339 -3.343 -0.306 1.00 0.00 H new ATOM 0 HD2 TYR A 37 76.363 -7.501 0.015 1.00 0.00 H new ATOM 0 HE1 TYR A 37 73.110 -3.816 0.675 1.00 0.00 H new ATOM 0 HE2 TYR A 37 74.132 -7.977 0.989 1.00 0.00 H new ATOM 0 HH TYR A 37 72.193 -7.136 1.708 1.00 0.00 H new ATOM 540 N GLN A 38 80.155 -6.256 0.040 1.00 0.00 N ATOM 541 CA GLN A 38 81.489 -6.722 -0.323 1.00 0.00 C ATOM 542 C GLN A 38 81.344 -7.998 -1.143 1.00 0.00 C ATOM 543 O GLN A 38 80.463 -8.815 -0.875 1.00 0.00 O ATOM 544 CB GLN A 38 82.279 -7.014 0.956 1.00 0.00 C ATOM 545 CG GLN A 38 83.712 -7.449 0.639 1.00 0.00 C ATOM 546 CD GLN A 38 84.566 -6.223 0.348 1.00 0.00 C ATOM 547 OE1 GLN A 38 85.330 -6.196 -0.617 1.00 0.00 O ATOM 548 NE2 GLN A 38 84.437 -5.186 1.125 1.00 0.00 N ATOM 0 H GLN A 38 79.575 -6.960 0.497 1.00 0.00 H new ATOM 0 HA GLN A 38 82.016 -5.966 -0.905 1.00 0.00 H new ATOM 0 HB2 GLN A 38 82.298 -6.124 1.585 1.00 0.00 H new ATOM 0 HB3 GLN A 38 81.777 -7.796 1.525 1.00 0.00 H new ATOM 0 HG2 GLN A 38 84.129 -8.004 1.480 1.00 0.00 H new ATOM 0 HG3 GLN A 38 83.717 -8.120 -0.220 1.00 0.00 H new ATOM 0 HE21 GLN A 38 83.801 -5.221 1.921 1.00 0.00 H new ATOM 0 HE22 GLN A 38 84.972 -4.338 0.937 1.00 0.00 H new ATOM 557 N GLN A 39 82.261 -8.204 -2.085 1.00 0.00 N ATOM 558 CA GLN A 39 82.215 -9.385 -2.945 1.00 0.00 C ATOM 559 C GLN A 39 83.473 -10.220 -2.730 1.00 0.00 C ATOM 560 O GLN A 39 84.500 -9.990 -3.368 1.00 0.00 O ATOM 561 CB GLN A 39 82.080 -8.945 -4.411 1.00 0.00 C ATOM 562 CG GLN A 39 80.712 -9.328 -4.983 1.00 0.00 C ATOM 563 CD GLN A 39 80.560 -8.763 -6.391 1.00 0.00 C ATOM 564 OE1 GLN A 39 81.493 -8.835 -7.191 1.00 0.00 O ATOM 565 NE2 GLN A 39 79.424 -8.235 -6.756 1.00 0.00 N ATOM 0 H GLN A 39 83.041 -7.573 -2.272 1.00 0.00 H new ATOM 0 HA GLN A 39 81.351 -10.000 -2.692 1.00 0.00 H new ATOM 0 HB2 GLN A 39 82.218 -7.866 -4.483 1.00 0.00 H new ATOM 0 HB3 GLN A 39 82.868 -9.407 -5.006 1.00 0.00 H new ATOM 0 HG2 GLN A 39 80.608 -10.413 -5.004 1.00 0.00 H new ATOM 0 HG3 GLN A 39 79.919 -8.944 -4.341 1.00 0.00 H new ATOM 0 HE21 GLN A 39 78.652 -8.176 -6.092 1.00 0.00 H new ATOM 0 HE22 GLN A 39 79.308 -7.881 -7.706 1.00 0.00 H new ATOM 574 N ARG A 40 83.346 -11.258 -1.909 1.00 0.00 N ATOM 575 CA ARG A 40 84.476 -12.132 -1.618 1.00 0.00 C ATOM 576 C ARG A 40 84.687 -13.113 -2.771 1.00 0.00 C ATOM 577 O ARG A 40 83.715 -13.652 -3.300 1.00 0.00 O ATOM 578 CB ARG A 40 84.215 -12.900 -0.319 1.00 0.00 C ATOM 579 CG ARG A 40 84.527 -12.015 0.891 1.00 0.00 C ATOM 580 CD ARG A 40 84.361 -12.819 2.183 1.00 0.00 C ATOM 581 NE ARG A 40 83.114 -13.575 2.167 1.00 0.00 N ATOM 582 CZ ARG A 40 82.624 -14.112 3.279 1.00 0.00 C ATOM 583 NH1 ARG A 40 83.380 -14.227 4.337 1.00 0.00 N ATOM 584 NH2 ARG A 40 81.403 -14.571 3.300 1.00 0.00 N ATOM 0 H ARG A 40 82.479 -11.513 -1.437 1.00 0.00 H new ATOM 0 HA ARG A 40 85.375 -11.527 -1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 40 83.175 -13.225 -0.283 1.00 0.00 H new ATOM 0 HB3 ARG A 40 84.831 -13.799 -0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 40 85.545 -11.632 0.819 1.00 0.00 H new ATOM 0 HG3 ARG A 40 83.862 -11.152 0.902 1.00 0.00 H new ATOM 0 HD2 ARG A 40 85.203 -13.501 2.303 1.00 0.00 H new ATOM 0 HD3 ARG A 40 84.372 -12.145 3.040 1.00 0.00 H new ATOM 0 HE ARG A 40 82.610 -13.693 1.288 1.00 0.00 H new ATOM 0 HH11 ARG A 40 84.347 -13.904 4.310 1.00 0.00 H new ATOM 0 HH12 ARG A 40 83.003 -14.639 5.191 1.00 0.00 H new ATOM 0 HH21 ARG A 40 80.824 -14.518 2.462 1.00 0.00 H new ATOM 0 HH22 ARG A 40 81.028 -14.983 4.154 1.00 0.00 H new ATOM 598 N PRO A 41 85.905 -13.411 -3.143 1.00 0.00 N ATOM 599 CA PRO A 41 86.164 -14.322 -4.293 1.00 0.00 C ATOM 600 C PRO A 41 85.504 -15.680 -4.073 1.00 0.00 C ATOM 601 O PRO A 41 85.795 -16.366 -3.094 1.00 0.00 O ATOM 602 CB PRO A 41 87.693 -14.441 -4.382 1.00 0.00 C ATOM 603 CG PRO A 41 88.278 -13.599 -3.292 1.00 0.00 C ATOM 604 CD PRO A 41 87.146 -12.804 -2.634 1.00 0.00 C ATOM 0 HA PRO A 41 85.743 -13.937 -5.222 1.00 0.00 H new ATOM 0 HB2 PRO A 41 88.003 -15.480 -4.271 1.00 0.00 H new ATOM 0 HB3 PRO A 41 88.047 -14.105 -5.357 1.00 0.00 H new ATOM 0 HG2 PRO A 41 88.778 -14.227 -2.555 1.00 0.00 H new ATOM 0 HG3 PRO A 41 89.030 -12.923 -3.698 1.00 0.00 H new ATOM 0 HD2 PRO A 41 87.199 -12.868 -1.547 1.00 0.00 H new ATOM 0 HD3 PRO A 41 87.204 -11.747 -2.894 1.00 0.00 H new ATOM 612 N GLY A 42 84.708 -16.114 -5.044 1.00 0.00 N ATOM 613 CA GLY A 42 84.092 -17.434 -4.979 1.00 0.00 C ATOM 614 C GLY A 42 82.966 -17.467 -3.950 1.00 0.00 C ATOM 615 O GLY A 42 82.338 -18.505 -3.742 1.00 0.00 O ATOM 0 H GLY A 42 84.475 -15.576 -5.879 1.00 0.00 H new ATOM 0 HA2 GLY A 42 83.700 -17.704 -5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 42 84.846 -18.178 -4.721 1.00 0.00 H new ATOM 619 N SER A 43 82.764 -16.352 -3.251 1.00 0.00 N ATOM 620 CA SER A 43 81.725 -16.257 -2.228 1.00 0.00 C ATOM 621 C SER A 43 80.723 -15.162 -2.581 1.00 0.00 C ATOM 622 O SER A 43 81.103 -14.053 -2.957 1.00 0.00 O ATOM 623 CB SER A 43 82.374 -15.975 -0.870 1.00 0.00 C ATOM 624 OG SER A 43 82.701 -17.206 -0.241 1.00 0.00 O ATOM 0 H SER A 43 83.309 -15.499 -3.375 1.00 0.00 H new ATOM 0 HA SER A 43 81.185 -17.202 -2.178 1.00 0.00 H new ATOM 0 HB2 SER A 43 83.272 -15.371 -1.002 1.00 0.00 H new ATOM 0 HB3 SER A 43 81.693 -15.402 -0.241 1.00 0.00 H new ATOM 0 HG SER A 43 83.118 -17.029 0.628 1.00 0.00 H new ATOM 630 N SER A 44 79.446 -15.455 -2.357 1.00 0.00 N ATOM 631 CA SER A 44 78.385 -14.498 -2.646 1.00 0.00 C ATOM 632 C SER A 44 78.642 -13.187 -1.909 1.00 0.00 C ATOM 633 O SER A 44 79.621 -13.078 -1.170 1.00 0.00 O ATOM 634 CB SER A 44 77.040 -15.090 -2.216 1.00 0.00 C ATOM 635 OG SER A 44 76.694 -14.603 -0.927 1.00 0.00 O ATOM 0 H SER A 44 79.122 -16.345 -1.978 1.00 0.00 H new ATOM 0 HA SER A 44 78.365 -14.293 -3.716 1.00 0.00 H new ATOM 0 HB2 SER A 44 76.267 -14.823 -2.936 1.00 0.00 H new ATOM 0 HB3 SER A 44 77.099 -16.178 -2.201 1.00 0.00 H new ATOM 0 HG SER A 44 75.832 -14.982 -0.655 1.00 0.00 H new ATOM 641 N PRO A 45 77.837 -12.180 -2.122 1.00 0.00 N ATOM 642 CA PRO A 45 78.006 -10.869 -1.435 1.00 0.00 C ATOM 643 C PRO A 45 77.630 -10.942 0.043 1.00 0.00 C ATOM 644 O PRO A 45 76.871 -11.816 0.461 1.00 0.00 O ATOM 645 CB PRO A 45 77.098 -9.903 -2.211 1.00 0.00 C ATOM 646 CG PRO A 45 76.386 -10.707 -3.254 1.00 0.00 C ATOM 647 CD PRO A 45 76.613 -12.188 -2.940 1.00 0.00 C ATOM 0 HA PRO A 45 79.046 -10.542 -1.437 1.00 0.00 H new ATOM 0 HB2 PRO A 45 76.384 -9.424 -1.541 1.00 0.00 H new ATOM 0 HB3 PRO A 45 77.686 -9.109 -2.672 1.00 0.00 H new ATOM 0 HG2 PRO A 45 75.321 -10.475 -3.253 1.00 0.00 H new ATOM 0 HG3 PRO A 45 76.764 -10.465 -4.247 1.00 0.00 H new ATOM 0 HD2 PRO A 45 75.770 -12.618 -2.398 1.00 0.00 H new ATOM 0 HD3 PRO A 45 76.741 -12.776 -3.849 1.00 0.00 H new ATOM 655 N THR A 46 78.130 -9.985 0.821 1.00 0.00 N ATOM 656 CA THR A 46 77.831 -9.916 2.248 1.00 0.00 C ATOM 657 C THR A 46 77.590 -8.470 2.669 1.00 0.00 C ATOM 658 O THR A 46 78.500 -7.643 2.627 1.00 0.00 O ATOM 659 CB THR A 46 79.007 -10.488 3.041 1.00 0.00 C ATOM 660 OG1 THR A 46 79.431 -11.703 2.442 1.00 0.00 O ATOM 661 CG2 THR A 46 78.575 -10.756 4.484 1.00 0.00 C ATOM 0 H THR A 46 78.746 -9.245 0.485 1.00 0.00 H new ATOM 0 HA THR A 46 76.931 -10.497 2.450 1.00 0.00 H new ATOM 0 HB THR A 46 79.828 -9.771 3.038 1.00 0.00 H new ATOM 0 HG1 THR A 46 80.186 -12.071 2.947 1.00 0.00 H new ATOM 0 HG21 THR A 46 79.416 -11.163 5.046 1.00 0.00 H new ATOM 0 HG22 THR A 46 78.248 -9.824 4.945 1.00 0.00 H new ATOM 0 HG23 THR A 46 77.753 -11.472 4.491 1.00 0.00 H new ATOM 669 N THR A 47 76.363 -8.171 3.084 1.00 0.00 N ATOM 670 CA THR A 47 76.032 -6.824 3.534 1.00 0.00 C ATOM 671 C THR A 47 77.057 -6.336 4.552 1.00 0.00 C ATOM 672 O THR A 47 77.193 -6.914 5.630 1.00 0.00 O ATOM 673 CB THR A 47 74.631 -6.816 4.153 1.00 0.00 C ATOM 674 OG1 THR A 47 74.437 -5.599 4.858 1.00 0.00 O ATOM 675 CG2 THR A 47 74.448 -7.995 5.116 1.00 0.00 C ATOM 0 H THR A 47 75.589 -8.835 3.118 1.00 0.00 H new ATOM 0 HA THR A 47 76.049 -6.151 2.676 1.00 0.00 H new ATOM 0 HB THR A 47 73.898 -6.908 3.351 1.00 0.00 H new ATOM 0 HG1 THR A 47 73.541 -5.590 5.254 1.00 0.00 H new ATOM 0 HG21 THR A 47 73.445 -7.965 5.541 1.00 0.00 H new ATOM 0 HG22 THR A 47 74.585 -8.931 4.575 1.00 0.00 H new ATOM 0 HG23 THR A 47 75.184 -7.928 5.917 1.00 0.00 H new ATOM 683 N VAL A 48 77.612 -5.152 4.307 1.00 0.00 N ATOM 684 CA VAL A 48 78.654 -4.620 5.182 1.00 0.00 C ATOM 685 C VAL A 48 78.057 -3.592 6.137 1.00 0.00 C ATOM 686 O VAL A 48 78.305 -3.644 7.341 1.00 0.00 O ATOM 687 CB VAL A 48 79.770 -3.956 4.366 1.00 0.00 C ATOM 688 CG1 VAL A 48 80.903 -3.495 5.293 1.00 0.00 C ATOM 689 CG2 VAL A 48 80.317 -4.926 3.313 1.00 0.00 C ATOM 0 H VAL A 48 77.363 -4.550 3.522 1.00 0.00 H new ATOM 0 HA VAL A 48 79.076 -5.451 5.747 1.00 0.00 H new ATOM 0 HB VAL A 48 79.353 -3.087 3.856 1.00 0.00 H new ATOM 0 HG11 VAL A 48 81.689 -3.025 4.701 1.00 0.00 H new ATOM 0 HG12 VAL A 48 80.513 -2.777 6.014 1.00 0.00 H new ATOM 0 HG13 VAL A 48 81.313 -4.355 5.823 1.00 0.00 H new ATOM 0 HG21 VAL A 48 81.108 -4.437 2.744 1.00 0.00 H new ATOM 0 HG22 VAL A 48 80.719 -5.810 3.807 1.00 0.00 H new ATOM 0 HG23 VAL A 48 79.514 -5.221 2.638 1.00 0.00 H new ATOM 699 N ILE A 49 77.187 -2.725 5.625 1.00 0.00 N ATOM 700 CA ILE A 49 76.455 -1.786 6.470 1.00 0.00 C ATOM 701 C ILE A 49 75.036 -1.613 5.941 1.00 0.00 C ATOM 702 O ILE A 49 74.745 -1.970 4.800 1.00 0.00 O ATOM 703 CB ILE A 49 77.190 -0.441 6.507 1.00 0.00 C ATOM 704 CG1 ILE A 49 78.470 -0.612 7.328 1.00 0.00 C ATOM 705 CG2 ILE A 49 76.315 0.654 7.127 1.00 0.00 C ATOM 706 CD1 ILE A 49 79.235 0.710 7.390 1.00 0.00 C ATOM 0 H ILE A 49 76.972 -2.653 4.630 1.00 0.00 H new ATOM 0 HA ILE A 49 76.399 -2.178 7.486 1.00 0.00 H new ATOM 0 HB ILE A 49 77.428 -0.136 5.488 1.00 0.00 H new ATOM 0 HG12 ILE A 49 78.223 -0.946 8.336 1.00 0.00 H new ATOM 0 HG13 ILE A 49 79.097 -1.384 6.882 1.00 0.00 H new ATOM 0 HG21 ILE A 49 76.864 1.595 7.139 1.00 0.00 H new ATOM 0 HG22 ILE A 49 75.406 0.772 6.537 1.00 0.00 H new ATOM 0 HG23 ILE A 49 76.051 0.375 8.147 1.00 0.00 H new ATOM 0 HD11 ILE A 49 80.144 0.577 7.977 1.00 0.00 H new ATOM 0 HD12 ILE A 49 79.497 1.026 6.380 1.00 0.00 H new ATOM 0 HD13 ILE A 49 78.610 1.471 7.857 1.00 0.00 H new ATOM 718 N TYR A 50 74.189 -0.963 6.733 1.00 0.00 N ATOM 719 CA TYR A 50 72.786 -0.778 6.374 1.00 0.00 C ATOM 720 C TYR A 50 72.412 0.701 6.428 1.00 0.00 C ATOM 721 O TYR A 50 72.951 1.463 7.231 1.00 0.00 O ATOM 722 CB TYR A 50 71.904 -1.568 7.345 1.00 0.00 C ATOM 723 CG TYR A 50 70.534 -1.772 6.743 1.00 0.00 C ATOM 724 CD1 TYR A 50 70.396 -2.561 5.596 1.00 0.00 C ATOM 725 CD2 TYR A 50 69.396 -1.263 7.381 1.00 0.00 C ATOM 726 CE1 TYR A 50 69.128 -2.778 5.043 1.00 0.00 C ATOM 727 CE2 TYR A 50 68.130 -1.456 6.814 1.00 0.00 C ATOM 728 CZ TYR A 50 67.998 -2.211 5.642 1.00 0.00 C ATOM 729 OH TYR A 50 66.749 -2.426 5.095 1.00 0.00 O ATOM 0 H TYR A 50 74.450 -0.554 7.630 1.00 0.00 H new ATOM 0 HA TYR A 50 72.631 -1.140 5.358 1.00 0.00 H new ATOM 0 HB2 TYR A 50 72.362 -2.533 7.564 1.00 0.00 H new ATOM 0 HB3 TYR A 50 71.819 -1.033 8.291 1.00 0.00 H new ATOM 0 HD1 TYR A 50 71.268 -3.003 5.137 1.00 0.00 H new ATOM 0 HD2 TYR A 50 69.495 -0.722 8.310 1.00 0.00 H new ATOM 0 HE1 TYR A 50 69.022 -3.383 4.154 1.00 0.00 H new ATOM 0 HE2 TYR A 50 67.257 -1.023 7.280 1.00 0.00 H new ATOM 0 HH TYR A 50 66.072 -1.964 5.632 1.00 0.00 H new ATOM 739 N GLU A 51 71.501 1.098 5.545 1.00 0.00 N ATOM 740 CA GLU A 51 71.051 2.484 5.466 1.00 0.00 C ATOM 741 C GLU A 51 72.224 3.457 5.535 1.00 0.00 C ATOM 742 O GLU A 51 72.048 4.632 5.857 1.00 0.00 O ATOM 743 CB GLU A 51 70.091 2.774 6.622 1.00 0.00 C ATOM 744 CG GLU A 51 68.798 1.980 6.429 1.00 0.00 C ATOM 745 CD GLU A 51 68.008 1.939 7.733 1.00 0.00 C ATOM 746 OE1 GLU A 51 68.510 2.446 8.722 1.00 0.00 O ATOM 747 OE2 GLU A 51 66.961 1.314 7.747 1.00 0.00 O ATOM 0 H GLU A 51 71.057 0.475 4.870 1.00 0.00 H new ATOM 0 HA GLU A 51 70.547 2.621 4.509 1.00 0.00 H new ATOM 0 HB2 GLU A 51 70.556 2.505 7.570 1.00 0.00 H new ATOM 0 HB3 GLU A 51 69.871 3.841 6.666 1.00 0.00 H new ATOM 0 HG2 GLU A 51 68.195 2.437 5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 51 69.030 0.966 6.103 1.00 0.00 H new ATOM 754 N ASP A 52 73.415 2.969 5.207 1.00 0.00 N ATOM 755 CA ASP A 52 74.604 3.812 5.196 1.00 0.00 C ATOM 756 C ASP A 52 74.662 4.646 6.474 1.00 0.00 C ATOM 757 O ASP A 52 75.357 5.661 6.530 1.00 0.00 O ATOM 758 CB ASP A 52 74.608 4.716 3.957 1.00 0.00 C ATOM 759 CG ASP A 52 75.568 4.203 2.888 1.00 0.00 C ATOM 760 OD1 ASP A 52 75.670 2.996 2.740 1.00 0.00 O ATOM 761 OD2 ASP A 52 76.204 5.026 2.250 1.00 0.00 O ATOM 0 H ASP A 52 73.582 1.997 4.946 1.00 0.00 H new ATOM 0 HA ASP A 52 75.488 3.176 5.154 1.00 0.00 H new ATOM 0 HB2 ASP A 52 73.601 4.773 3.545 1.00 0.00 H new ATOM 0 HB3 ASP A 52 74.892 5.728 4.246 1.00 0.00 H new ATOM 766 N ASN A 53 73.939 4.215 7.503 1.00 0.00 N ATOM 767 CA ASN A 53 73.876 4.957 8.759 1.00 0.00 C ATOM 768 C ASN A 53 74.572 4.174 9.867 1.00 0.00 C ATOM 769 O ASN A 53 75.216 4.752 10.743 1.00 0.00 O ATOM 770 CB ASN A 53 72.418 5.197 9.153 1.00 0.00 C ATOM 771 CG ASN A 53 71.769 6.177 8.180 1.00 0.00 C ATOM 772 OD1 ASN A 53 70.562 6.111 7.945 1.00 0.00 O ATOM 773 ND2 ASN A 53 72.498 7.090 7.598 1.00 0.00 N ATOM 0 H ASN A 53 73.389 3.356 7.493 1.00 0.00 H new ATOM 0 HA ASN A 53 74.378 5.914 8.622 1.00 0.00 H new ATOM 0 HB2 ASN A 53 71.872 4.254 9.150 1.00 0.00 H new ATOM 0 HB3 ASN A 53 72.367 5.592 10.168 1.00 0.00 H new ATOM 0 HD21 ASN A 53 72.068 7.749 6.949 1.00 0.00 H new ATOM 0 HD22 ASN A 53 73.498 7.145 7.793 1.00 0.00 H new ATOM 780 N GLN A 54 74.466 2.852 9.800 1.00 0.00 N ATOM 781 CA GLN A 54 75.072 1.996 10.811 1.00 0.00 C ATOM 782 C GLN A 54 74.850 0.529 10.464 1.00 0.00 C ATOM 783 O GLN A 54 74.093 0.202 9.550 1.00 0.00 O ATOM 784 CB GLN A 54 74.461 2.295 12.182 1.00 0.00 C ATOM 785 CG GLN A 54 72.940 2.416 12.054 1.00 0.00 C ATOM 786 CD GLN A 54 72.282 2.181 13.409 1.00 0.00 C ATOM 787 OE1 GLN A 54 71.517 3.018 13.889 1.00 0.00 O ATOM 788 NE2 GLN A 54 72.566 1.091 14.067 1.00 0.00 N ATOM 0 H GLN A 54 73.970 2.353 9.062 1.00 0.00 H new ATOM 0 HA GLN A 54 76.143 2.196 10.840 1.00 0.00 H new ATOM 0 HB2 GLN A 54 74.714 1.501 12.885 1.00 0.00 H new ATOM 0 HB3 GLN A 54 74.877 3.220 12.582 1.00 0.00 H new ATOM 0 HG2 GLN A 54 72.676 3.405 11.679 1.00 0.00 H new ATOM 0 HG3 GLN A 54 72.569 1.691 11.330 1.00 0.00 H new ATOM 0 HE21 GLN A 54 73.201 0.402 13.663 1.00 0.00 H new ATOM 0 HE22 GLN A 54 72.153 0.928 14.985 1.00 0.00 H new ATOM 797 N ARG A 55 75.485 -0.354 11.228 1.00 0.00 N ATOM 798 CA ARG A 55 75.364 -1.790 11.005 1.00 0.00 C ATOM 799 C ARG A 55 74.526 -2.417 12.117 1.00 0.00 C ATOM 800 O ARG A 55 74.620 -1.983 13.265 1.00 0.00 O ATOM 801 CB ARG A 55 76.766 -2.404 10.992 1.00 0.00 C ATOM 802 CG ARG A 55 77.376 -2.367 12.399 1.00 0.00 C ATOM 803 CD ARG A 55 78.907 -2.323 12.340 1.00 0.00 C ATOM 804 NE ARG A 55 79.377 -0.951 12.490 1.00 0.00 N ATOM 805 CZ ARG A 55 78.840 0.042 11.790 1.00 0.00 C ATOM 806 NH1 ARG A 55 79.271 0.297 10.586 1.00 0.00 N ATOM 807 NH2 ARG A 55 77.891 0.769 12.312 1.00 0.00 N ATOM 0 H ARG A 55 76.090 -0.099 12.009 1.00 0.00 H new ATOM 0 HA ARG A 55 74.872 -1.979 10.051 1.00 0.00 H new ATOM 0 HB2 ARG A 55 76.716 -3.433 10.637 1.00 0.00 H new ATOM 0 HB3 ARG A 55 77.404 -1.857 10.297 1.00 0.00 H new ATOM 0 HG2 ARG A 55 77.005 -1.494 12.936 1.00 0.00 H new ATOM 0 HG3 ARG A 55 77.056 -3.245 12.960 1.00 0.00 H new ATOM 0 HD2 ARG A 55 79.327 -2.947 13.129 1.00 0.00 H new ATOM 0 HD3 ARG A 55 79.254 -2.732 11.391 1.00 0.00 H new ATOM 0 HE ARG A 55 80.133 -0.750 13.145 1.00 0.00 H new ATOM 0 HH11 ARG A 55 80.020 -0.266 10.183 1.00 0.00 H new ATOM 0 HH12 ARG A 55 78.859 1.059 10.048 1.00 0.00 H new ATOM 0 HH21 ARG A 55 77.561 0.575 13.258 1.00 0.00 H new ATOM 0 HH22 ARG A 55 77.479 1.532 11.775 1.00 0.00 H new ATOM 821 N PRO A 56 73.844 -3.502 11.863 1.00 0.00 N ATOM 822 CA PRO A 56 73.001 -4.146 12.908 1.00 0.00 C ATOM 823 C PRO A 56 73.841 -4.476 14.138 1.00 0.00 C ATOM 824 O PRO A 56 75.035 -4.749 14.021 1.00 0.00 O ATOM 825 CB PRO A 56 72.444 -5.413 12.245 1.00 0.00 C ATOM 826 CG PRO A 56 73.042 -5.490 10.875 1.00 0.00 C ATOM 827 CD PRO A 56 73.621 -4.113 10.543 1.00 0.00 C ATOM 0 HA PRO A 56 72.198 -3.497 13.257 1.00 0.00 H new ATOM 0 HB2 PRO A 56 72.700 -6.298 12.828 1.00 0.00 H new ATOM 0 HB3 PRO A 56 71.356 -5.372 12.189 1.00 0.00 H new ATOM 0 HG2 PRO A 56 73.821 -6.251 10.840 1.00 0.00 H new ATOM 0 HG3 PRO A 56 72.286 -5.774 10.143 1.00 0.00 H new ATOM 0 HD2 PRO A 56 74.549 -4.194 9.977 1.00 0.00 H new ATOM 0 HD3 PRO A 56 72.931 -3.523 9.940 1.00 0.00 H new ATOM 835 N SER A 57 73.248 -4.351 15.319 1.00 0.00 N ATOM 836 CA SER A 57 73.979 -4.661 16.541 1.00 0.00 C ATOM 837 C SER A 57 74.587 -6.056 16.434 1.00 0.00 C ATOM 838 O SER A 57 73.922 -6.998 16.003 1.00 0.00 O ATOM 839 CB SER A 57 73.052 -4.570 17.757 1.00 0.00 C ATOM 840 OG SER A 57 73.779 -4.050 18.860 1.00 0.00 O ATOM 0 H SER A 57 72.285 -4.044 15.456 1.00 0.00 H new ATOM 0 HA SER A 57 74.781 -3.934 16.671 1.00 0.00 H new ATOM 0 HB2 SER A 57 72.200 -3.928 17.533 1.00 0.00 H new ATOM 0 HB3 SER A 57 72.654 -5.555 18.000 1.00 0.00 H new ATOM 0 HG SER A 57 73.190 -3.988 19.640 1.00 0.00 H new ATOM 846 N GLY A 58 75.805 -6.207 16.944 1.00 0.00 N ATOM 847 CA GLY A 58 76.457 -7.511 16.982 1.00 0.00 C ATOM 848 C GLY A 58 77.435 -7.669 15.822 1.00 0.00 C ATOM 849 O GLY A 58 78.503 -8.261 15.982 1.00 0.00 O ATOM 0 H GLY A 58 76.359 -5.445 17.335 1.00 0.00 H new ATOM 0 HA2 GLY A 58 76.987 -7.629 17.927 1.00 0.00 H new ATOM 0 HA3 GLY A 58 75.705 -8.299 16.938 1.00 0.00 H new ATOM 853 N VAL A 59 77.139 -7.027 14.696 1.00 0.00 N ATOM 854 CA VAL A 59 78.020 -7.119 13.537 1.00 0.00 C ATOM 855 C VAL A 59 79.287 -6.306 13.811 1.00 0.00 C ATOM 856 O VAL A 59 79.189 -5.199 14.340 1.00 0.00 O ATOM 857 CB VAL A 59 77.265 -6.614 12.297 1.00 0.00 C ATOM 858 CG1 VAL A 59 78.152 -5.780 11.368 1.00 0.00 C ATOM 859 CG2 VAL A 59 76.696 -7.787 11.494 1.00 0.00 C ATOM 0 H VAL A 59 76.311 -6.447 14.562 1.00 0.00 H new ATOM 0 HA VAL A 59 78.319 -8.151 13.350 1.00 0.00 H new ATOM 0 HB VAL A 59 76.460 -5.981 12.670 1.00 0.00 H new ATOM 0 HG11 VAL A 59 77.569 -5.449 10.509 1.00 0.00 H new ATOM 0 HG12 VAL A 59 78.528 -4.911 11.908 1.00 0.00 H new ATOM 0 HG13 VAL A 59 78.991 -6.386 11.025 1.00 0.00 H new ATOM 0 HG21 VAL A 59 76.166 -7.407 10.621 1.00 0.00 H new ATOM 0 HG22 VAL A 59 77.510 -8.435 11.170 1.00 0.00 H new ATOM 0 HG23 VAL A 59 76.006 -8.355 12.119 1.00 0.00 H new ATOM 869 N PRO A 60 80.424 -6.703 13.295 1.00 0.00 N ATOM 870 CA PRO A 60 81.689 -5.961 13.561 1.00 0.00 C ATOM 871 C PRO A 60 81.587 -4.524 13.058 1.00 0.00 C ATOM 872 O PRO A 60 80.895 -4.262 12.075 1.00 0.00 O ATOM 873 CB PRO A 60 82.780 -6.737 12.808 1.00 0.00 C ATOM 874 CG PRO A 60 82.123 -7.922 12.172 1.00 0.00 C ATOM 875 CD PRO A 60 80.709 -8.040 12.747 1.00 0.00 C ATOM 0 HA PRO A 60 81.908 -5.896 14.627 1.00 0.00 H new ATOM 0 HB2 PRO A 60 83.249 -6.106 12.053 1.00 0.00 H new ATOM 0 HB3 PRO A 60 83.567 -7.055 13.492 1.00 0.00 H new ATOM 0 HG2 PRO A 60 82.086 -7.802 11.089 1.00 0.00 H new ATOM 0 HG3 PRO A 60 82.694 -8.829 12.373 1.00 0.00 H new ATOM 0 HD2 PRO A 60 79.989 -8.316 11.977 1.00 0.00 H new ATOM 0 HD3 PRO A 60 80.657 -8.806 13.521 1.00 0.00 H new ATOM 883 N ASP A 61 82.331 -3.613 13.681 1.00 0.00 N ATOM 884 CA ASP A 61 82.309 -2.206 13.288 1.00 0.00 C ATOM 885 C ASP A 61 83.608 -1.825 12.585 1.00 0.00 C ATOM 886 O ASP A 61 84.108 -0.713 12.754 1.00 0.00 O ATOM 887 CB ASP A 61 82.100 -1.314 14.517 1.00 0.00 C ATOM 888 CG ASP A 61 81.251 -2.033 15.560 1.00 0.00 C ATOM 889 OD1 ASP A 61 80.465 -2.883 15.177 1.00 0.00 O ATOM 890 OD2 ASP A 61 81.410 -1.732 16.732 1.00 0.00 O ATOM 0 H ASP A 61 82.956 -3.823 14.459 1.00 0.00 H new ATOM 0 HA ASP A 61 81.480 -2.057 12.596 1.00 0.00 H new ATOM 0 HB2 ASP A 61 83.065 -1.045 14.947 1.00 0.00 H new ATOM 0 HB3 ASP A 61 81.613 -0.385 14.221 1.00 0.00 H new ATOM 895 N ARG A 62 84.134 -2.734 11.771 1.00 0.00 N ATOM 896 CA ARG A 62 85.374 -2.456 11.057 1.00 0.00 C ATOM 897 C ARG A 62 85.126 -1.462 9.928 1.00 0.00 C ATOM 898 O ARG A 62 86.030 -0.729 9.528 1.00 0.00 O ATOM 899 CB ARG A 62 85.945 -3.746 10.465 1.00 0.00 C ATOM 900 CG ARG A 62 86.272 -4.731 11.588 1.00 0.00 C ATOM 901 CD ARG A 62 87.080 -5.894 11.008 1.00 0.00 C ATOM 902 NE ARG A 62 86.543 -6.278 9.706 1.00 0.00 N ATOM 903 CZ ARG A 62 87.270 -6.211 8.594 1.00 0.00 C ATOM 904 NH1 ARG A 62 88.235 -5.337 8.504 1.00 0.00 N ATOM 905 NH2 ARG A 62 87.058 -7.055 7.620 1.00 0.00 N ATOM 0 H ARG A 62 83.730 -3.653 11.591 1.00 0.00 H new ATOM 0 HA ARG A 62 86.085 -2.032 11.766 1.00 0.00 H new ATOM 0 HB2 ARG A 62 85.226 -4.191 9.777 1.00 0.00 H new ATOM 0 HB3 ARG A 62 86.844 -3.526 9.889 1.00 0.00 H new ATOM 0 HG2 ARG A 62 86.840 -4.232 12.373 1.00 0.00 H new ATOM 0 HG3 ARG A 62 85.354 -5.101 12.044 1.00 0.00 H new ATOM 0 HD2 ARG A 62 88.126 -5.606 10.908 1.00 0.00 H new ATOM 0 HD3 ARG A 62 87.048 -6.745 11.689 1.00 0.00 H new ATOM 0 HE ARG A 62 85.580 -6.608 9.647 1.00 0.00 H new ATOM 0 HH11 ARG A 62 88.429 -4.709 9.284 1.00 0.00 H new ATOM 0 HH12 ARG A 62 88.795 -5.282 7.653 1.00 0.00 H new ATOM 0 HH21 ARG A 62 86.334 -7.767 7.711 1.00 0.00 H new ATOM 0 HH22 ARG A 62 87.617 -7.002 6.768 1.00 0.00 H new ATOM 919 N PHE A 63 83.870 -1.359 9.503 1.00 0.00 N ATOM 920 CA PHE A 63 83.481 -0.439 8.438 1.00 0.00 C ATOM 921 C PHE A 63 82.489 0.585 8.978 1.00 0.00 C ATOM 922 O PHE A 63 81.660 0.271 9.832 1.00 0.00 O ATOM 923 CB PHE A 63 82.905 -1.196 7.233 1.00 0.00 C ATOM 924 CG PHE A 63 82.637 -2.638 7.596 1.00 0.00 C ATOM 925 CD1 PHE A 63 81.535 -2.963 8.394 1.00 0.00 C ATOM 926 CD2 PHE A 63 83.535 -3.638 7.203 1.00 0.00 C ATOM 927 CE1 PHE A 63 81.299 -4.297 8.751 1.00 0.00 C ATOM 928 CE2 PHE A 63 83.288 -4.974 7.542 1.00 0.00 C ATOM 929 CZ PHE A 63 82.178 -5.302 8.329 1.00 0.00 C ATOM 0 H PHE A 63 83.098 -1.906 9.884 1.00 0.00 H new ATOM 0 HA PHE A 63 84.369 0.089 8.089 1.00 0.00 H new ATOM 0 HB2 PHE A 63 81.982 -0.720 6.904 1.00 0.00 H new ATOM 0 HB3 PHE A 63 83.604 -1.148 6.398 1.00 0.00 H new ATOM 0 HD1 PHE A 63 80.867 -2.186 8.735 1.00 0.00 H new ATOM 0 HD2 PHE A 63 84.418 -3.379 6.638 1.00 0.00 H new ATOM 0 HE1 PHE A 63 80.438 -4.550 9.352 1.00 0.00 H new ATOM 0 HE2 PHE A 63 83.954 -5.751 7.196 1.00 0.00 H new ATOM 0 HZ PHE A 63 82.000 -6.329 8.611 1.00 0.00 H new ATOM 939 N SER A 64 82.486 1.773 8.379 1.00 0.00 N ATOM 940 CA SER A 64 81.540 2.808 8.788 1.00 0.00 C ATOM 941 C SER A 64 81.032 3.555 7.560 1.00 0.00 C ATOM 942 O SER A 64 81.843 4.091 6.809 1.00 0.00 O ATOM 943 CB SER A 64 82.225 3.773 9.759 1.00 0.00 C ATOM 944 OG SER A 64 81.284 4.203 10.732 1.00 0.00 O ATOM 0 H SER A 64 83.116 2.040 7.622 1.00 0.00 H new ATOM 0 HA SER A 64 80.690 2.348 9.292 1.00 0.00 H new ATOM 0 HB2 SER A 64 83.069 3.282 10.244 1.00 0.00 H new ATOM 0 HB3 SER A 64 82.624 4.631 9.217 1.00 0.00 H new ATOM 0 HG SER A 64 81.719 4.820 11.357 1.00 0.00 H new ATOM 950 N GLY A 65 79.713 3.621 7.387 1.00 0.00 N ATOM 951 CA GLY A 65 79.122 4.283 6.228 1.00 0.00 C ATOM 952 C GLY A 65 78.757 5.728 6.548 1.00 0.00 C ATOM 953 O GLY A 65 78.305 6.030 7.653 1.00 0.00 O ATOM 0 H GLY A 65 79.034 3.223 8.036 1.00 0.00 H new ATOM 0 HA2 GLY A 65 79.824 4.258 5.394 1.00 0.00 H new ATOM 0 HA3 GLY A 65 78.231 3.741 5.911 1.00 0.00 H new ATOM 957 N SER A 66 78.906 6.610 5.564 1.00 0.00 N ATOM 958 CA SER A 66 78.544 8.013 5.736 1.00 0.00 C ATOM 959 C SER A 66 77.977 8.577 4.437 1.00 0.00 C ATOM 960 O SER A 66 78.454 8.257 3.348 1.00 0.00 O ATOM 961 CB SER A 66 79.773 8.811 6.183 1.00 0.00 C ATOM 962 OG SER A 66 79.385 9.766 7.160 1.00 0.00 O ATOM 0 H SER A 66 79.274 6.379 4.641 1.00 0.00 H new ATOM 0 HA SER A 66 77.775 8.093 6.504 1.00 0.00 H new ATOM 0 HB2 SER A 66 80.527 8.139 6.594 1.00 0.00 H new ATOM 0 HB3 SER A 66 80.226 9.313 5.328 1.00 0.00 H new ATOM 0 HG SER A 66 80.170 10.276 7.449 1.00 0.00 H new ATOM 968 N ILE A 67 77.000 9.470 4.567 1.00 0.00 N ATOM 969 CA ILE A 67 76.366 10.103 3.414 1.00 0.00 C ATOM 970 C ILE A 67 76.501 11.619 3.497 1.00 0.00 C ATOM 971 O ILE A 67 76.491 12.201 4.581 1.00 0.00 O ATOM 972 CB ILE A 67 74.889 9.702 3.351 1.00 0.00 C ATOM 973 CG1 ILE A 67 74.068 10.462 4.404 1.00 0.00 C ATOM 974 CG2 ILE A 67 74.792 8.190 3.578 1.00 0.00 C ATOM 975 CD1 ILE A 67 73.367 11.684 3.801 1.00 0.00 C ATOM 0 H ILE A 67 76.628 9.774 5.467 1.00 0.00 H new ATOM 0 HA ILE A 67 76.865 9.765 2.506 1.00 0.00 H new ATOM 0 HB ILE A 67 74.480 9.959 2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 67 73.325 9.793 4.838 1.00 0.00 H new ATOM 0 HG13 ILE A 67 74.722 10.781 5.215 1.00 0.00 H new ATOM 0 HG21 ILE A 67 73.747 7.882 3.537 1.00 0.00 H new ATOM 0 HG22 ILE A 67 75.354 7.669 2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 67 75.205 7.942 4.555 1.00 0.00 H new ATOM 0 HD11 ILE A 67 72.796 12.196 4.576 1.00 0.00 H new ATOM 0 HD12 ILE A 67 74.112 12.365 3.390 1.00 0.00 H new ATOM 0 HD13 ILE A 67 72.693 11.362 3.007 1.00 0.00 H new ATOM 987 N ASP A 68 76.653 12.243 2.336 1.00 0.00 N ATOM 988 CA ASP A 68 76.787 13.693 2.248 1.00 0.00 C ATOM 989 C ASP A 68 75.710 14.281 1.345 1.00 0.00 C ATOM 990 O ASP A 68 75.949 14.507 0.159 1.00 0.00 O ATOM 991 CB ASP A 68 78.155 14.030 1.660 1.00 0.00 C ATOM 992 CG ASP A 68 79.255 13.376 2.491 1.00 0.00 C ATOM 993 OD1 ASP A 68 78.943 12.882 3.563 1.00 0.00 O ATOM 994 OD2 ASP A 68 80.406 13.467 2.097 1.00 0.00 O ATOM 0 H ASP A 68 76.687 11.764 1.436 1.00 0.00 H new ATOM 0 HA ASP A 68 76.681 14.115 3.247 1.00 0.00 H new ATOM 0 HB2 ASP A 68 78.212 13.683 0.628 1.00 0.00 H new ATOM 0 HB3 ASP A 68 78.296 15.111 1.641 1.00 0.00 H new ATOM 999 N SER A 69 74.628 14.753 1.954 1.00 0.00 N ATOM 1000 CA SER A 69 73.575 15.419 1.197 1.00 0.00 C ATOM 1001 C SER A 69 74.102 16.693 0.546 1.00 0.00 C ATOM 1002 O SER A 69 73.566 17.157 -0.460 1.00 0.00 O ATOM 1003 CB SER A 69 72.400 15.746 2.120 1.00 0.00 C ATOM 1004 OG SER A 69 71.232 15.961 1.341 1.00 0.00 O ATOM 0 H SER A 69 74.458 14.688 2.958 1.00 0.00 H new ATOM 0 HA SER A 69 73.235 14.747 0.409 1.00 0.00 H new ATOM 0 HB2 SER A 69 72.237 14.928 2.822 1.00 0.00 H new ATOM 0 HB3 SER A 69 72.624 16.634 2.711 1.00 0.00 H new ATOM 0 HG SER A 69 70.478 16.169 1.932 1.00 0.00 H new ATOM 1010 N SER A 70 75.151 17.258 1.133 1.00 0.00 N ATOM 1011 CA SER A 70 75.736 18.487 0.611 1.00 0.00 C ATOM 1012 C SER A 70 76.705 18.194 -0.530 1.00 0.00 C ATOM 1013 O SER A 70 76.620 18.798 -1.600 1.00 0.00 O ATOM 1014 CB SER A 70 76.497 19.188 1.737 1.00 0.00 C ATOM 1015 OG SER A 70 75.732 19.131 2.933 1.00 0.00 O ATOM 0 H SER A 70 75.611 16.888 1.965 1.00 0.00 H new ATOM 0 HA SER A 70 74.934 19.119 0.231 1.00 0.00 H new ATOM 0 HB2 SER A 70 77.465 18.710 1.889 1.00 0.00 H new ATOM 0 HB3 SER A 70 76.693 20.226 1.467 1.00 0.00 H new ATOM 0 HG SER A 70 76.220 19.579 3.655 1.00 0.00 H new ATOM 1021 N SER A 71 77.636 17.277 -0.287 1.00 0.00 N ATOM 1022 CA SER A 71 78.645 16.950 -1.287 1.00 0.00 C ATOM 1023 C SER A 71 78.061 15.995 -2.321 1.00 0.00 C ATOM 1024 O SER A 71 78.658 15.744 -3.368 1.00 0.00 O ATOM 1025 CB SER A 71 79.852 16.286 -0.621 1.00 0.00 C ATOM 1026 OG SER A 71 80.937 16.251 -1.536 1.00 0.00 O ATOM 0 H SER A 71 77.713 16.752 0.584 1.00 0.00 H new ATOM 0 HA SER A 71 78.961 17.872 -1.775 1.00 0.00 H new ATOM 0 HB2 SER A 71 80.136 16.838 0.275 1.00 0.00 H new ATOM 0 HB3 SER A 71 79.596 15.275 -0.305 1.00 0.00 H new ATOM 0 HG SER A 71 80.604 16.029 -2.430 1.00 0.00 H new ATOM 1032 N ASN A 72 76.844 15.539 -2.048 1.00 0.00 N ATOM 1033 CA ASN A 72 76.150 14.652 -2.975 1.00 0.00 C ATOM 1034 C ASN A 72 76.998 13.420 -3.280 1.00 0.00 C ATOM 1035 O ASN A 72 76.862 12.817 -4.344 1.00 0.00 O ATOM 1036 CB ASN A 72 75.832 15.393 -4.276 1.00 0.00 C ATOM 1037 CG ASN A 72 74.729 14.672 -5.043 1.00 0.00 C ATOM 1038 OD1 ASN A 72 73.548 14.958 -4.843 1.00 0.00 O ATOM 1039 ND2 ASN A 72 75.037 13.707 -5.866 1.00 0.00 N ATOM 0 H ASN A 72 76.322 15.765 -1.202 1.00 0.00 H new ATOM 0 HA ASN A 72 75.220 14.330 -2.507 1.00 0.00 H new ATOM 0 HB2 ASN A 72 75.521 16.414 -4.054 1.00 0.00 H new ATOM 0 HB3 ASN A 72 76.728 15.460 -4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 72 74.299 13.189 -6.344 1.00 0.00 H new ATOM 0 HD22 ASN A 72 76.015 13.471 -6.031 1.00 0.00 H new ATOM 1046 N SER A 73 77.809 12.996 -2.314 1.00 0.00 N ATOM 1047 CA SER A 73 78.613 11.787 -2.470 1.00 0.00 C ATOM 1048 C SER A 73 78.697 11.032 -1.148 1.00 0.00 C ATOM 1049 O SER A 73 78.752 11.637 -0.080 1.00 0.00 O ATOM 1050 CB SER A 73 80.023 12.168 -2.927 1.00 0.00 C ATOM 1051 OG SER A 73 80.811 12.506 -1.795 1.00 0.00 O ATOM 0 H SER A 73 77.927 13.470 -1.418 1.00 0.00 H new ATOM 0 HA SER A 73 78.143 11.145 -3.215 1.00 0.00 H new ATOM 0 HB2 SER A 73 80.479 11.338 -3.466 1.00 0.00 H new ATOM 0 HB3 SER A 73 79.978 13.010 -3.617 1.00 0.00 H new ATOM 0 HG SER A 73 81.715 12.749 -2.086 1.00 0.00 H new ATOM 1057 N ALA A 74 78.825 9.710 -1.209 1.00 0.00 N ATOM 1058 CA ALA A 74 78.820 8.905 0.008 1.00 0.00 C ATOM 1059 C ALA A 74 80.237 8.434 0.304 1.00 0.00 C ATOM 1060 O ALA A 74 81.061 8.302 -0.600 1.00 0.00 O ATOM 1061 CB ALA A 74 77.911 7.684 -0.153 1.00 0.00 C ATOM 0 H ALA A 74 78.932 9.180 -2.074 1.00 0.00 H new ATOM 0 HA ALA A 74 78.445 9.517 0.828 1.00 0.00 H new ATOM 0 HB1 ALA A 74 77.922 7.098 0.766 1.00 0.00 H new ATOM 0 HB2 ALA A 74 76.893 8.013 -0.361 1.00 0.00 H new ATOM 0 HB3 ALA A 74 78.270 7.070 -0.979 1.00 0.00 H new ATOM 1067 N SER A 75 80.536 8.264 1.588 1.00 0.00 N ATOM 1068 CA SER A 75 81.887 7.895 1.999 1.00 0.00 C ATOM 1069 C SER A 75 81.842 6.973 3.210 1.00 0.00 C ATOM 1070 O SER A 75 81.055 7.193 4.130 1.00 0.00 O ATOM 1071 CB SER A 75 82.697 9.140 2.362 1.00 0.00 C ATOM 1072 OG SER A 75 82.725 10.035 1.260 1.00 0.00 O ATOM 0 H SER A 75 79.871 8.374 2.354 1.00 0.00 H new ATOM 0 HA SER A 75 82.361 7.381 1.163 1.00 0.00 H new ATOM 0 HB2 SER A 75 82.257 9.631 3.230 1.00 0.00 H new ATOM 0 HB3 SER A 75 83.713 8.856 2.638 1.00 0.00 H new ATOM 0 HG SER A 75 83.244 10.831 1.498 1.00 0.00 H new ATOM 1078 N LEU A 76 82.585 5.872 3.136 1.00 0.00 N ATOM 1079 CA LEU A 76 82.660 4.919 4.240 1.00 0.00 C ATOM 1080 C LEU A 76 84.032 4.981 4.906 1.00 0.00 C ATOM 1081 O LEU A 76 85.054 4.822 4.242 1.00 0.00 O ATOM 1082 CB LEU A 76 82.300 3.517 3.729 1.00 0.00 C ATOM 1083 CG LEU A 76 83.100 2.396 4.410 1.00 0.00 C ATOM 1084 CD1 LEU A 76 82.331 1.072 4.304 1.00 0.00 C ATOM 1085 CD2 LEU A 76 84.504 2.265 3.798 1.00 0.00 C ATOM 0 H LEU A 76 83.144 5.617 2.322 1.00 0.00 H new ATOM 0 HA LEU A 76 81.935 5.179 5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 76 81.236 3.342 3.888 1.00 0.00 H new ATOM 0 HB3 LEU A 76 82.473 3.475 2.654 1.00 0.00 H new ATOM 0 HG LEU A 76 83.225 2.648 5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 76 82.902 0.280 4.788 1.00 0.00 H new ATOM 0 HD12 LEU A 76 81.363 1.173 4.794 1.00 0.00 H new ATOM 0 HD13 LEU A 76 82.181 0.821 3.254 1.00 0.00 H new ATOM 0 HD21 LEU A 76 85.046 1.464 4.300 1.00 0.00 H new ATOM 0 HD22 LEU A 76 84.418 2.035 2.736 1.00 0.00 H new ATOM 0 HD23 LEU A 76 85.045 3.203 3.923 1.00 0.00 H new ATOM 1097 N THR A 77 84.048 5.095 6.231 1.00 0.00 N ATOM 1098 CA THR A 77 85.295 5.066 6.991 1.00 0.00 C ATOM 1099 C THR A 77 85.495 3.703 7.646 1.00 0.00 C ATOM 1100 O THR A 77 84.632 3.218 8.377 1.00 0.00 O ATOM 1101 CB THR A 77 85.271 6.141 8.081 1.00 0.00 C ATOM 1102 OG1 THR A 77 84.883 7.377 7.501 1.00 0.00 O ATOM 1103 CG2 THR A 77 86.653 6.304 8.724 1.00 0.00 C ATOM 0 H THR A 77 83.210 5.209 6.802 1.00 0.00 H new ATOM 0 HA THR A 77 86.116 5.257 6.300 1.00 0.00 H new ATOM 0 HB THR A 77 84.563 5.838 8.852 1.00 0.00 H new ATOM 0 HG1 THR A 77 84.863 8.071 8.193 1.00 0.00 H new ATOM 0 HG21 THR A 77 86.607 7.074 9.495 1.00 0.00 H new ATOM 0 HG22 THR A 77 86.959 5.359 9.173 1.00 0.00 H new ATOM 0 HG23 THR A 77 87.376 6.595 7.963 1.00 0.00 H new ATOM 1111 N ILE A 78 86.661 3.107 7.414 1.00 0.00 N ATOM 1112 CA ILE A 78 86.995 1.806 7.986 1.00 0.00 C ATOM 1113 C ILE A 78 88.089 1.957 9.039 1.00 0.00 C ATOM 1114 O ILE A 78 89.184 2.444 8.759 1.00 0.00 O ATOM 1115 CB ILE A 78 87.429 0.875 6.848 1.00 0.00 C ATOM 1116 CG1 ILE A 78 86.220 0.205 6.183 1.00 0.00 C ATOM 1117 CG2 ILE A 78 88.391 -0.211 7.341 1.00 0.00 C ATOM 1118 CD1 ILE A 78 86.563 -0.176 4.741 1.00 0.00 C ATOM 0 H ILE A 78 87.395 3.507 6.830 1.00 0.00 H new ATOM 0 HA ILE A 78 86.127 1.375 8.486 1.00 0.00 H new ATOM 0 HB ILE A 78 87.943 1.499 6.117 1.00 0.00 H new ATOM 0 HG12 ILE A 78 85.931 -0.684 6.744 1.00 0.00 H new ATOM 0 HG13 ILE A 78 85.366 0.882 6.196 1.00 0.00 H new ATOM 0 HG21 ILE A 78 88.676 -0.851 6.506 1.00 0.00 H new ATOM 0 HG22 ILE A 78 89.282 0.256 7.761 1.00 0.00 H new ATOM 0 HG23 ILE A 78 87.900 -0.811 8.107 1.00 0.00 H new ATOM 0 HD11 ILE A 78 85.700 -0.651 4.275 1.00 0.00 H new ATOM 0 HD12 ILE A 78 86.830 0.721 4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 78 87.404 -0.869 4.738 1.00 0.00 H new ATOM 1130 N SER A 79 87.811 1.418 10.223 1.00 0.00 N ATOM 1131 CA SER A 79 88.753 1.449 11.336 1.00 0.00 C ATOM 1132 C SER A 79 89.434 0.092 11.487 1.00 0.00 C ATOM 1133 O SER A 79 88.768 -0.925 11.679 1.00 0.00 O ATOM 1134 CB SER A 79 87.999 1.814 12.619 1.00 0.00 C ATOM 1135 OG SER A 79 86.868 2.603 12.283 1.00 0.00 O ATOM 0 H SER A 79 86.930 0.950 10.437 1.00 0.00 H new ATOM 0 HA SER A 79 89.522 2.197 11.143 1.00 0.00 H new ATOM 0 HB2 SER A 79 87.685 0.910 13.141 1.00 0.00 H new ATOM 0 HB3 SER A 79 88.653 2.363 13.297 1.00 0.00 H new ATOM 0 HG SER A 79 86.380 2.839 13.099 1.00 0.00 H new ATOM 1141 N GLY A 80 90.762 0.089 11.459 1.00 0.00 N ATOM 1142 CA GLY A 80 91.511 -1.146 11.658 1.00 0.00 C ATOM 1143 C GLY A 80 91.019 -2.237 10.713 1.00 0.00 C ATOM 1144 O GLY A 80 90.440 -3.233 11.147 1.00 0.00 O ATOM 0 H GLY A 80 91.336 0.917 11.302 1.00 0.00 H new ATOM 0 HA2 GLY A 80 92.572 -0.964 11.489 1.00 0.00 H new ATOM 0 HA3 GLY A 80 91.405 -1.478 12.691 1.00 0.00 H new ATOM 1148 N LEU A 81 91.239 -2.040 9.418 1.00 0.00 N ATOM 1149 CA LEU A 81 90.840 -3.040 8.435 1.00 0.00 C ATOM 1150 C LEU A 81 91.524 -4.373 8.718 1.00 0.00 C ATOM 1151 O LEU A 81 92.643 -4.411 9.229 1.00 0.00 O ATOM 1152 CB LEU A 81 91.153 -2.565 7.012 1.00 0.00 C ATOM 1153 CG LEU A 81 92.663 -2.480 6.756 1.00 0.00 C ATOM 1154 CD1 LEU A 81 92.925 -2.196 5.273 1.00 0.00 C ATOM 1155 CD2 LEU A 81 93.279 -1.366 7.609 1.00 0.00 C ATOM 0 H LEU A 81 91.685 -1.210 9.028 1.00 0.00 H new ATOM 0 HA LEU A 81 89.762 -3.181 8.515 1.00 0.00 H new ATOM 0 HB2 LEU A 81 90.701 -3.249 6.293 1.00 0.00 H new ATOM 0 HB3 LEU A 81 90.701 -1.586 6.848 1.00 0.00 H new ATOM 0 HG LEU A 81 93.120 -3.432 7.027 1.00 0.00 H new ATOM 0 HD11 LEU A 81 93.999 -2.137 5.098 1.00 0.00 H new ATOM 0 HD12 LEU A 81 92.503 -2.999 4.669 1.00 0.00 H new ATOM 0 HD13 LEU A 81 92.460 -1.250 4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 81 94.351 -1.314 7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 81 92.818 -0.413 7.350 1.00 0.00 H new ATOM 0 HD23 LEU A 81 93.106 -1.578 8.664 1.00 0.00 H new ATOM 1167 N LYS A 82 90.912 -5.455 8.249 1.00 0.00 N ATOM 1168 CA LYS A 82 91.485 -6.789 8.388 1.00 0.00 C ATOM 1169 C LYS A 82 91.442 -7.498 7.039 1.00 0.00 C ATOM 1170 O LYS A 82 90.586 -7.209 6.204 1.00 0.00 O ATOM 1171 CB LYS A 82 90.677 -7.580 9.422 1.00 0.00 C ATOM 1172 CG LYS A 82 91.162 -7.267 10.843 1.00 0.00 C ATOM 1173 CD LYS A 82 92.297 -8.217 11.232 1.00 0.00 C ATOM 1174 CE LYS A 82 92.940 -7.767 12.546 1.00 0.00 C ATOM 1175 NZ LYS A 82 92.033 -8.075 13.688 1.00 0.00 N ATOM 0 H LYS A 82 90.014 -5.434 7.766 1.00 0.00 H new ATOM 0 HA LYS A 82 92.520 -6.716 8.721 1.00 0.00 H new ATOM 0 HB2 LYS A 82 89.619 -7.333 9.331 1.00 0.00 H new ATOM 0 HB3 LYS A 82 90.773 -8.648 9.226 1.00 0.00 H new ATOM 0 HG2 LYS A 82 91.506 -6.234 10.899 1.00 0.00 H new ATOM 0 HG3 LYS A 82 90.336 -7.366 11.548 1.00 0.00 H new ATOM 0 HD2 LYS A 82 91.912 -9.231 11.337 1.00 0.00 H new ATOM 0 HD3 LYS A 82 93.047 -8.241 10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 82 93.896 -8.271 12.684 1.00 0.00 H new ATOM 0 HE3 LYS A 82 93.146 -6.697 12.512 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 92.477 -7.767 14.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 91.131 -7.574 13.559 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 91.858 -9.099 13.726 1.00 0.00 H new ATOM 1189 N THR A 83 92.365 -8.429 6.830 1.00 0.00 N ATOM 1190 CA THR A 83 92.414 -9.160 5.574 1.00 0.00 C ATOM 1191 C THR A 83 91.018 -9.627 5.174 1.00 0.00 C ATOM 1192 O THR A 83 90.731 -9.844 3.996 1.00 0.00 O ATOM 1193 CB THR A 83 93.353 -10.358 5.733 1.00 0.00 C ATOM 1194 OG1 THR A 83 94.408 -10.015 6.620 1.00 0.00 O ATOM 1195 CG2 THR A 83 93.944 -10.763 4.381 1.00 0.00 C ATOM 0 H THR A 83 93.081 -8.692 7.507 1.00 0.00 H new ATOM 0 HA THR A 83 92.788 -8.506 4.787 1.00 0.00 H new ATOM 0 HB THR A 83 92.784 -11.197 6.134 1.00 0.00 H new ATOM 0 HG1 THR A 83 95.010 -10.781 6.725 1.00 0.00 H new ATOM 0 HG21 THR A 83 94.609 -11.616 4.515 1.00 0.00 H new ATOM 0 HG22 THR A 83 93.139 -11.034 3.698 1.00 0.00 H new ATOM 0 HG23 THR A 83 94.506 -9.927 3.965 1.00 0.00 H new ATOM 1203 N GLU A 84 90.188 -9.864 6.183 1.00 0.00 N ATOM 1204 CA GLU A 84 88.826 -10.327 5.953 1.00 0.00 C ATOM 1205 C GLU A 84 88.093 -9.375 5.014 1.00 0.00 C ATOM 1206 O GLU A 84 87.105 -9.752 4.384 1.00 0.00 O ATOM 1207 CB GLU A 84 88.079 -10.400 7.286 1.00 0.00 C ATOM 1208 CG GLU A 84 88.729 -11.454 8.185 1.00 0.00 C ATOM 1209 CD GLU A 84 88.096 -11.421 9.572 1.00 0.00 C ATOM 1210 OE1 GLU A 84 87.874 -10.333 10.076 1.00 0.00 O ATOM 1211 OE2 GLU A 84 87.831 -12.485 10.107 1.00 0.00 O ATOM 0 H GLU A 84 90.434 -9.743 7.166 1.00 0.00 H new ATOM 0 HA GLU A 84 88.864 -11.316 5.496 1.00 0.00 H new ATOM 0 HB2 GLU A 84 88.097 -9.427 7.778 1.00 0.00 H new ATOM 0 HB3 GLU A 84 87.032 -10.650 7.114 1.00 0.00 H new ATOM 0 HG2 GLU A 84 88.608 -12.444 7.745 1.00 0.00 H new ATOM 0 HG3 GLU A 84 89.800 -11.268 8.261 1.00 0.00 H new ATOM 1218 N ASP A 85 88.618 -8.161 4.872 1.00 0.00 N ATOM 1219 CA ASP A 85 88.045 -7.186 3.950 1.00 0.00 C ATOM 1220 C ASP A 85 88.623 -7.385 2.553 1.00 0.00 C ATOM 1221 O ASP A 85 88.021 -6.972 1.562 1.00 0.00 O ATOM 1222 CB ASP A 85 88.348 -5.767 4.441 1.00 0.00 C ATOM 1223 CG ASP A 85 87.361 -5.352 5.529 1.00 0.00 C ATOM 1224 OD1 ASP A 85 86.221 -5.783 5.466 1.00 0.00 O ATOM 1225 OD2 ASP A 85 87.713 -4.486 6.312 1.00 0.00 O ATOM 0 H ASP A 85 89.437 -7.830 5.382 1.00 0.00 H new ATOM 0 HA ASP A 85 86.965 -7.328 3.910 1.00 0.00 H new ATOM 0 HB2 ASP A 85 89.366 -5.720 4.829 1.00 0.00 H new ATOM 0 HB3 ASP A 85 88.292 -5.068 3.606 1.00 0.00 H new ATOM 1230 N GLU A 86 89.767 -8.056 2.475 1.00 0.00 N ATOM 1231 CA GLU A 86 90.381 -8.316 1.179 1.00 0.00 C ATOM 1232 C GLU A 86 89.346 -8.861 0.201 1.00 0.00 C ATOM 1233 O GLU A 86 89.125 -10.069 0.133 1.00 0.00 O ATOM 1234 CB GLU A 86 91.515 -9.333 1.336 1.00 0.00 C ATOM 1235 CG GLU A 86 92.288 -9.498 0.020 1.00 0.00 C ATOM 1236 CD GLU A 86 92.556 -10.970 -0.278 1.00 0.00 C ATOM 1237 OE1 GLU A 86 91.616 -11.657 -0.641 1.00 0.00 O ATOM 1238 OE2 GLU A 86 93.679 -11.402 -0.080 1.00 0.00 O ATOM 0 H GLU A 86 90.279 -8.423 3.277 1.00 0.00 H new ATOM 0 HA GLU A 86 90.780 -7.379 0.790 1.00 0.00 H new ATOM 0 HB2 GLU A 86 92.195 -9.007 2.123 1.00 0.00 H new ATOM 0 HB3 GLU A 86 91.106 -10.295 1.645 1.00 0.00 H new ATOM 0 HG2 GLU A 86 91.719 -9.056 -0.798 1.00 0.00 H new ATOM 0 HG3 GLU A 86 93.233 -8.958 0.079 1.00 0.00 H new ATOM 1245 N ALA A 87 88.760 -7.974 -0.597 1.00 0.00 N ATOM 1246 CA ALA A 87 87.763 -8.391 -1.576 1.00 0.00 C ATOM 1247 C ALA A 87 87.310 -7.202 -2.416 1.00 0.00 C ATOM 1248 O ALA A 87 87.731 -6.069 -2.180 1.00 0.00 O ATOM 1249 CB ALA A 87 86.557 -9.004 -0.861 1.00 0.00 C ATOM 0 H ALA A 87 88.955 -6.973 -0.586 1.00 0.00 H new ATOM 0 HA ALA A 87 88.212 -9.135 -2.234 1.00 0.00 H new ATOM 0 HB1 ALA A 87 85.816 -9.313 -1.598 1.00 0.00 H new ATOM 0 HB2 ALA A 87 86.878 -9.871 -0.283 1.00 0.00 H new ATOM 0 HB3 ALA A 87 86.117 -8.265 -0.192 1.00 0.00 H new ATOM 1255 N ASP A 88 86.343 -7.438 -3.297 1.00 0.00 N ATOM 1256 CA ASP A 88 85.798 -6.364 -4.119 1.00 0.00 C ATOM 1257 C ASP A 88 84.668 -5.665 -3.371 1.00 0.00 C ATOM 1258 O ASP A 88 83.834 -6.311 -2.740 1.00 0.00 O ATOM 1259 CB ASP A 88 85.282 -6.934 -5.444 1.00 0.00 C ATOM 1260 CG ASP A 88 86.183 -8.075 -5.905 1.00 0.00 C ATOM 1261 OD1 ASP A 88 86.009 -9.175 -5.407 1.00 0.00 O ATOM 1262 OD2 ASP A 88 86.971 -7.856 -6.811 1.00 0.00 O ATOM 0 H ASP A 88 85.924 -8.354 -3.459 1.00 0.00 H new ATOM 0 HA ASP A 88 86.584 -5.639 -4.330 1.00 0.00 H new ATOM 0 HB2 ASP A 88 84.260 -7.293 -5.322 1.00 0.00 H new ATOM 0 HB3 ASP A 88 85.256 -6.151 -6.201 1.00 0.00 H new ATOM 1267 N TYR A 89 84.615 -4.343 -3.490 1.00 0.00 N ATOM 1268 CA TYR A 89 83.627 -3.536 -2.779 1.00 0.00 C ATOM 1269 C TYR A 89 82.548 -3.077 -3.756 1.00 0.00 C ATOM 1270 O TYR A 89 82.850 -2.605 -4.851 1.00 0.00 O ATOM 1271 CB TYR A 89 84.325 -2.329 -2.132 1.00 0.00 C ATOM 1272 CG TYR A 89 84.152 -2.340 -0.629 1.00 0.00 C ATOM 1273 CD1 TYR A 89 82.863 -2.339 -0.080 1.00 0.00 C ATOM 1274 CD2 TYR A 89 85.269 -2.401 0.215 1.00 0.00 C ATOM 1275 CE1 TYR A 89 82.693 -2.372 1.310 1.00 0.00 C ATOM 1276 CE2 TYR A 89 85.100 -2.414 1.605 1.00 0.00 C ATOM 1277 CZ TYR A 89 83.812 -2.377 2.152 1.00 0.00 C ATOM 1278 OH TYR A 89 83.645 -2.447 3.520 1.00 0.00 O ATOM 0 H TYR A 89 85.250 -3.803 -4.077 1.00 0.00 H new ATOM 0 HA TYR A 89 83.156 -4.129 -1.995 1.00 0.00 H new ATOM 0 HB2 TYR A 89 85.387 -2.344 -2.379 1.00 0.00 H new ATOM 0 HB3 TYR A 89 83.915 -1.406 -2.541 1.00 0.00 H new ATOM 0 HD1 TYR A 89 82.000 -2.313 -0.729 1.00 0.00 H new ATOM 0 HD2 TYR A 89 86.262 -2.438 -0.207 1.00 0.00 H new ATOM 0 HE1 TYR A 89 81.699 -2.394 1.732 1.00 0.00 H new ATOM 0 HE2 TYR A 89 85.962 -2.453 2.254 1.00 0.00 H new ATOM 0 HH TYR A 89 84.522 -2.441 3.957 1.00 0.00 H new ATOM 1288 N TYR A 90 81.290 -3.199 -3.340 1.00 0.00 N ATOM 1289 CA TYR A 90 80.151 -2.776 -4.151 1.00 0.00 C ATOM 1290 C TYR A 90 79.293 -1.786 -3.362 1.00 0.00 C ATOM 1291 O TYR A 90 79.301 -1.794 -2.131 1.00 0.00 O ATOM 1292 CB TYR A 90 79.344 -4.018 -4.555 1.00 0.00 C ATOM 1293 CG TYR A 90 79.666 -4.448 -5.969 1.00 0.00 C ATOM 1294 CD1 TYR A 90 80.990 -4.712 -6.341 1.00 0.00 C ATOM 1295 CD2 TYR A 90 78.641 -4.589 -6.914 1.00 0.00 C ATOM 1296 CE1 TYR A 90 81.299 -5.024 -7.671 1.00 0.00 C ATOM 1297 CE2 TYR A 90 78.942 -4.967 -8.228 1.00 0.00 C ATOM 1298 CZ TYR A 90 80.270 -5.195 -8.604 1.00 0.00 C ATOM 1299 OH TYR A 90 80.566 -5.551 -9.904 1.00 0.00 O ATOM 0 H TYR A 90 81.032 -3.592 -2.435 1.00 0.00 H new ATOM 0 HA TYR A 90 80.494 -2.272 -5.054 1.00 0.00 H new ATOM 0 HB2 TYR A 90 79.561 -4.835 -3.866 1.00 0.00 H new ATOM 0 HB3 TYR A 90 78.278 -3.805 -4.471 1.00 0.00 H new ATOM 0 HD1 TYR A 90 81.775 -4.675 -5.600 1.00 0.00 H new ATOM 0 HD2 TYR A 90 77.616 -4.406 -6.628 1.00 0.00 H new ATOM 0 HE1 TYR A 90 82.329 -5.132 -7.976 1.00 0.00 H new ATOM 0 HE2 TYR A 90 78.149 -5.083 -8.952 1.00 0.00 H new ATOM 0 HH TYR A 90 79.736 -5.629 -10.419 1.00 0.00 H new ATOM 1309 N CYS A 91 78.574 -0.921 -4.076 1.00 0.00 N ATOM 1310 CA CYS A 91 77.707 0.087 -3.466 1.00 0.00 C ATOM 1311 C CYS A 91 76.279 -0.180 -3.955 1.00 0.00 C ATOM 1312 O CYS A 91 76.084 -0.570 -5.106 1.00 0.00 O ATOM 1313 CB CYS A 91 78.146 1.509 -3.869 1.00 0.00 C ATOM 1314 SG CYS A 91 79.574 2.176 -2.957 1.00 0.00 S ATOM 0 H CYS A 91 78.576 -0.899 -5.096 1.00 0.00 H new ATOM 0 HA CYS A 91 77.766 0.023 -2.380 1.00 0.00 H new ATOM 0 HB2 CYS A 91 78.384 1.509 -4.933 1.00 0.00 H new ATOM 0 HB3 CYS A 91 77.301 2.184 -3.731 1.00 0.00 H new ATOM 1319 N GLN A 92 75.274 0.001 -3.098 1.00 0.00 N ATOM 1320 CA GLN A 92 73.873 -0.153 -3.495 1.00 0.00 C ATOM 1321 C GLN A 92 73.082 1.106 -3.155 1.00 0.00 C ATOM 1322 O GLN A 92 72.882 1.425 -1.983 1.00 0.00 O ATOM 1323 CB GLN A 92 73.225 -1.340 -2.776 1.00 0.00 C ATOM 1324 CG GLN A 92 73.931 -2.641 -3.165 1.00 0.00 C ATOM 1325 CD GLN A 92 73.189 -3.843 -2.589 1.00 0.00 C ATOM 1326 OE1 GLN A 92 72.093 -3.700 -2.046 1.00 0.00 O ATOM 1327 NE2 GLN A 92 73.726 -5.029 -2.675 1.00 0.00 N ATOM 0 H GLN A 92 75.405 0.256 -2.119 1.00 0.00 H new ATOM 0 HA GLN A 92 73.856 -0.327 -4.571 1.00 0.00 H new ATOM 0 HB2 GLN A 92 73.281 -1.196 -1.697 1.00 0.00 H new ATOM 0 HB3 GLN A 92 72.168 -1.399 -3.036 1.00 0.00 H new ATOM 0 HG2 GLN A 92 73.982 -2.724 -4.251 1.00 0.00 H new ATOM 0 HG3 GLN A 92 74.957 -2.629 -2.798 1.00 0.00 H new ATOM 0 HE21 GLN A 92 74.634 -5.146 -3.125 1.00 0.00 H new ATOM 0 HE22 GLN A 92 73.238 -5.839 -2.292 1.00 0.00 H new ATOM 1336 N SER A 93 72.587 1.793 -4.182 1.00 0.00 N ATOM 1337 CA SER A 93 71.833 3.030 -3.993 1.00 0.00 C ATOM 1338 C SER A 93 70.393 2.858 -4.463 1.00 0.00 C ATOM 1339 O SER A 93 70.058 1.869 -5.116 1.00 0.00 O ATOM 1340 CB SER A 93 72.490 4.168 -4.778 1.00 0.00 C ATOM 1341 OG SER A 93 72.287 3.967 -6.169 1.00 0.00 O ATOM 0 H SER A 93 72.695 1.513 -5.157 1.00 0.00 H new ATOM 0 HA SER A 93 71.832 3.272 -2.930 1.00 0.00 H new ATOM 0 HB2 SER A 93 72.067 5.125 -4.473 1.00 0.00 H new ATOM 0 HB3 SER A 93 73.557 4.207 -4.558 1.00 0.00 H new ATOM 0 HG SER A 93 72.410 4.816 -6.643 1.00 0.00 H new ATOM 1347 N TYR A 94 69.528 3.790 -4.072 1.00 0.00 N ATOM 1348 CA TYR A 94 68.114 3.734 -4.430 1.00 0.00 C ATOM 1349 C TYR A 94 67.669 5.074 -5.009 1.00 0.00 C ATOM 1350 O TYR A 94 68.154 6.128 -4.601 1.00 0.00 O ATOM 1351 CB TYR A 94 67.290 3.392 -3.184 1.00 0.00 C ATOM 1352 CG TYR A 94 67.086 1.898 -3.075 1.00 0.00 C ATOM 1353 CD1 TYR A 94 68.142 1.076 -2.664 1.00 0.00 C ATOM 1354 CD2 TYR A 94 65.853 1.334 -3.422 1.00 0.00 C ATOM 1355 CE1 TYR A 94 67.956 -0.309 -2.574 1.00 0.00 C ATOM 1356 CE2 TYR A 94 65.667 -0.050 -3.332 1.00 0.00 C ATOM 1357 CZ TYR A 94 66.724 -0.872 -2.924 1.00 0.00 C ATOM 1358 OH TYR A 94 66.545 -2.239 -2.855 1.00 0.00 O ATOM 0 H TYR A 94 69.784 4.598 -3.504 1.00 0.00 H new ATOM 0 HA TYR A 94 67.959 2.963 -5.185 1.00 0.00 H new ATOM 0 HB2 TYR A 94 67.798 3.761 -2.293 1.00 0.00 H new ATOM 0 HB3 TYR A 94 66.324 3.894 -3.231 1.00 0.00 H new ATOM 0 HD1 TYR A 94 69.100 1.510 -2.416 1.00 0.00 H new ATOM 0 HD2 TYR A 94 65.045 1.967 -3.759 1.00 0.00 H new ATOM 0 HE1 TYR A 94 68.763 -0.942 -2.235 1.00 0.00 H new ATOM 0 HE2 TYR A 94 64.709 -0.484 -3.577 1.00 0.00 H new ATOM 0 HH TYR A 94 65.632 -2.464 -3.131 1.00 0.00 H new ATOM 1368 N ASP A 95 66.776 5.028 -5.993 1.00 0.00 N ATOM 1369 CA ASP A 95 66.237 6.243 -6.598 1.00 0.00 C ATOM 1370 C ASP A 95 64.775 6.435 -6.206 1.00 0.00 C ATOM 1371 O ASP A 95 64.200 5.608 -5.500 1.00 0.00 O ATOM 1372 CB ASP A 95 66.384 6.168 -8.121 1.00 0.00 C ATOM 1373 CG ASP A 95 65.338 5.244 -8.736 1.00 0.00 C ATOM 1374 OD1 ASP A 95 64.666 4.548 -7.993 1.00 0.00 O ATOM 1375 OD2 ASP A 95 65.222 5.258 -9.950 1.00 0.00 O ATOM 0 H ASP A 95 66.410 4.162 -6.389 1.00 0.00 H new ATOM 0 HA ASP A 95 66.798 7.102 -6.230 1.00 0.00 H new ATOM 0 HB2 ASP A 95 66.285 7.166 -8.547 1.00 0.00 H new ATOM 0 HB3 ASP A 95 67.382 5.810 -8.375 1.00 0.00 H new ATOM 1380 N SER A 96 64.173 7.517 -6.689 1.00 0.00 N ATOM 1381 CA SER A 96 62.788 7.819 -6.348 1.00 0.00 C ATOM 1382 C SER A 96 61.857 6.707 -6.818 1.00 0.00 C ATOM 1383 O SER A 96 60.819 6.458 -6.205 1.00 0.00 O ATOM 1384 CB SER A 96 62.369 9.144 -6.988 1.00 0.00 C ATOM 1385 OG SER A 96 62.232 8.970 -8.391 1.00 0.00 O ATOM 0 H SER A 96 64.617 8.193 -7.311 1.00 0.00 H new ATOM 0 HA SER A 96 62.714 7.899 -5.263 1.00 0.00 H new ATOM 0 HB2 SER A 96 61.427 9.485 -6.559 1.00 0.00 H new ATOM 0 HB3 SER A 96 63.112 9.913 -6.777 1.00 0.00 H new ATOM 0 HG SER A 96 61.962 9.818 -8.801 1.00 0.00 H new ATOM 1391 N SER A 97 62.212 6.061 -7.925 1.00 0.00 N ATOM 1392 CA SER A 97 61.370 5.010 -8.484 1.00 0.00 C ATOM 1393 C SER A 97 61.558 3.701 -7.725 1.00 0.00 C ATOM 1394 O SER A 97 61.167 2.636 -8.201 1.00 0.00 O ATOM 1395 CB SER A 97 61.710 4.792 -9.960 1.00 0.00 C ATOM 1396 OG SER A 97 63.060 4.369 -10.079 1.00 0.00 O ATOM 0 H SER A 97 63.068 6.245 -8.448 1.00 0.00 H new ATOM 0 HA SER A 97 60.331 5.325 -8.390 1.00 0.00 H new ATOM 0 HB2 SER A 97 61.044 4.044 -10.391 1.00 0.00 H new ATOM 0 HB3 SER A 97 61.557 5.715 -10.519 1.00 0.00 H new ATOM 0 HG SER A 97 63.598 5.095 -10.458 1.00 0.00 H new ATOM 1402 N ASN A 98 62.197 3.778 -6.562 1.00 0.00 N ATOM 1403 CA ASN A 98 62.422 2.583 -5.758 1.00 0.00 C ATOM 1404 C ASN A 98 63.118 1.511 -6.590 1.00 0.00 C ATOM 1405 O ASN A 98 62.792 0.328 -6.494 1.00 0.00 O ATOM 1406 CB ASN A 98 61.086 2.044 -5.241 1.00 0.00 C ATOM 1407 CG ASN A 98 60.571 2.922 -4.105 1.00 0.00 C ATOM 1408 OD1 ASN A 98 59.441 3.410 -4.160 1.00 0.00 O ATOM 1409 ND2 ASN A 98 61.313 3.108 -3.047 1.00 0.00 N ATOM 0 H ASN A 98 62.563 4.641 -6.160 1.00 0.00 H new ATOM 0 HA ASN A 98 63.058 2.845 -4.912 1.00 0.00 H new ATOM 0 HB2 ASN A 98 60.357 2.019 -6.051 1.00 0.00 H new ATOM 0 HB3 ASN A 98 61.209 1.019 -4.892 1.00 0.00 H new ATOM 0 HD21 ASN A 98 60.957 3.658 -2.265 1.00 0.00 H new ATOM 0 HD22 ASN A 98 62.248 2.704 -3.003 1.00 0.00 H new ATOM 1416 N HIS A 99 64.130 1.921 -7.350 1.00 0.00 N ATOM 1417 CA HIS A 99 64.893 0.998 -8.184 1.00 0.00 C ATOM 1418 C HIS A 99 66.280 0.790 -7.584 1.00 0.00 C ATOM 1419 O HIS A 99 67.049 1.738 -7.421 1.00 0.00 O ATOM 1420 CB HIS A 99 65.012 1.573 -9.601 1.00 0.00 C ATOM 1421 CG HIS A 99 63.840 1.154 -10.447 1.00 0.00 C ATOM 1422 ND1 HIS A 99 62.597 0.867 -9.906 1.00 0.00 N ATOM 1423 CD2 HIS A 99 63.737 0.866 -11.787 1.00 0.00 C ATOM 1424 CE1 HIS A 99 61.795 0.473 -10.910 1.00 0.00 C ATOM 1425 NE2 HIS A 99 62.435 0.465 -12.081 1.00 0.00 N ATOM 0 H HIS A 99 64.441 2.891 -7.405 1.00 0.00 H new ATOM 0 HA HIS A 99 64.381 0.037 -8.229 1.00 0.00 H new ATOM 0 HB2 HIS A 99 65.062 2.661 -9.554 1.00 0.00 H new ATOM 0 HB3 HIS A 99 65.939 1.231 -10.061 1.00 0.00 H new ATOM 0 HD2 HIS A 99 64.542 0.939 -12.503 1.00 0.00 H new ATOM 0 HE1 HIS A 99 60.759 0.196 -10.784 1.00 0.00 H new ATOM 0 HE2 HIS A 99 62.054 0.219 -12.994 1.00 0.00 H new ATOM 1433 N VAL A 100 66.608 -0.467 -7.305 1.00 0.00 N ATOM 1434 CA VAL A 100 67.924 -0.802 -6.773 1.00 0.00 C ATOM 1435 C VAL A 100 68.990 -0.600 -7.844 1.00 0.00 C ATOM 1436 O VAL A 100 68.808 -0.988 -8.997 1.00 0.00 O ATOM 1437 CB VAL A 100 67.944 -2.252 -6.285 1.00 0.00 C ATOM 1438 CG1 VAL A 100 67.699 -3.199 -7.461 1.00 0.00 C ATOM 1439 CG2 VAL A 100 69.299 -2.572 -5.649 1.00 0.00 C ATOM 0 H VAL A 100 65.986 -1.265 -7.437 1.00 0.00 H new ATOM 0 HA VAL A 100 68.138 -0.143 -5.931 1.00 0.00 H new ATOM 0 HB VAL A 100 67.157 -2.384 -5.542 1.00 0.00 H new ATOM 0 HG11 VAL A 100 67.714 -4.230 -7.107 1.00 0.00 H new ATOM 0 HG12 VAL A 100 66.728 -2.983 -7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 100 68.480 -3.060 -8.209 1.00 0.00 H new ATOM 0 HG21 VAL A 100 69.304 -3.606 -5.305 1.00 0.00 H new ATOM 0 HG22 VAL A 100 70.089 -2.431 -6.386 1.00 0.00 H new ATOM 0 HG23 VAL A 100 69.470 -1.907 -4.803 1.00 0.00 H new ATOM 1449 N VAL A 101 70.082 0.065 -7.476 1.00 0.00 N ATOM 1450 CA VAL A 101 71.165 0.343 -8.412 1.00 0.00 C ATOM 1451 C VAL A 101 72.473 -0.213 -7.856 1.00 0.00 C ATOM 1452 O VAL A 101 72.685 -0.219 -6.644 1.00 0.00 O ATOM 1453 CB VAL A 101 71.284 1.857 -8.605 1.00 0.00 C ATOM 1454 CG1 VAL A 101 72.350 2.144 -9.663 1.00 0.00 C ATOM 1455 CG2 VAL A 101 69.941 2.440 -9.053 1.00 0.00 C ATOM 0 H VAL A 101 70.239 0.422 -6.533 1.00 0.00 H new ATOM 0 HA VAL A 101 70.956 -0.130 -9.371 1.00 0.00 H new ATOM 0 HB VAL A 101 71.568 2.320 -7.660 1.00 0.00 H new ATOM 0 HG11 VAL A 101 72.440 3.221 -9.806 1.00 0.00 H new ATOM 0 HG12 VAL A 101 73.307 1.740 -9.334 1.00 0.00 H new ATOM 0 HG13 VAL A 101 72.063 1.676 -10.605 1.00 0.00 H new ATOM 0 HG21 VAL A 101 70.039 3.517 -9.187 1.00 0.00 H new ATOM 0 HG22 VAL A 101 69.642 1.983 -9.996 1.00 0.00 H new ATOM 0 HG23 VAL A 101 69.185 2.236 -8.295 1.00 0.00 H new ATOM 1465 N PHE A 102 73.364 -0.635 -8.749 1.00 0.00 N ATOM 1466 CA PHE A 102 74.657 -1.183 -8.350 1.00 0.00 C ATOM 1467 C PHE A 102 75.779 -0.338 -8.947 1.00 0.00 C ATOM 1468 O PHE A 102 75.794 -0.065 -10.147 1.00 0.00 O ATOM 1469 CB PHE A 102 74.783 -2.631 -8.835 1.00 0.00 C ATOM 1470 CG PHE A 102 73.427 -3.297 -8.810 1.00 0.00 C ATOM 1471 CD1 PHE A 102 72.843 -3.657 -7.590 1.00 0.00 C ATOM 1472 CD2 PHE A 102 72.729 -3.499 -10.007 1.00 0.00 C ATOM 1473 CE1 PHE A 102 71.585 -4.272 -7.572 1.00 0.00 C ATOM 1474 CE2 PHE A 102 71.485 -4.140 -9.991 1.00 0.00 C ATOM 1475 CZ PHE A 102 70.905 -4.510 -8.772 1.00 0.00 C ATOM 0 H PHE A 102 73.213 -0.608 -9.757 1.00 0.00 H new ATOM 0 HA PHE A 102 74.733 -1.165 -7.263 1.00 0.00 H new ATOM 0 HB2 PHE A 102 75.190 -2.652 -9.846 1.00 0.00 H new ATOM 0 HB3 PHE A 102 75.479 -3.178 -8.199 1.00 0.00 H new ATOM 0 HD1 PHE A 102 73.362 -3.461 -6.663 1.00 0.00 H new ATOM 0 HD2 PHE A 102 73.150 -3.160 -10.942 1.00 0.00 H new ATOM 0 HE1 PHE A 102 71.139 -4.563 -6.632 1.00 0.00 H new ATOM 0 HE2 PHE A 102 70.973 -4.349 -10.919 1.00 0.00 H new ATOM 0 HZ PHE A 102 69.932 -4.979 -8.757 1.00 0.00 H new ATOM 1485 N GLY A 103 76.740 0.039 -8.112 1.00 0.00 N ATOM 1486 CA GLY A 103 77.857 0.856 -8.573 1.00 0.00 C ATOM 1487 C GLY A 103 78.940 -0.012 -9.204 1.00 0.00 C ATOM 1488 O GLY A 103 78.914 -1.237 -9.086 1.00 0.00 O ATOM 0 H GLY A 103 76.769 -0.205 -7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 103 77.503 1.588 -9.299 1.00 0.00 H new ATOM 0 HA3 GLY A 103 78.275 1.414 -7.735 1.00 0.00 H new ATOM 1492 N GLY A 104 79.904 0.631 -9.855 1.00 0.00 N ATOM 1493 CA GLY A 104 80.978 -0.100 -10.519 1.00 0.00 C ATOM 1494 C GLY A 104 81.794 -0.897 -9.507 1.00 0.00 C ATOM 1495 O GLY A 104 82.391 -1.920 -9.843 1.00 0.00 O ATOM 0 H GLY A 104 79.964 1.646 -9.937 1.00 0.00 H new ATOM 0 HA2 GLY A 104 80.558 -0.773 -11.266 1.00 0.00 H new ATOM 0 HA3 GLY A 104 81.627 0.598 -11.048 1.00 0.00 H new ATOM 1499 N GLY A 105 81.795 -0.433 -8.261 1.00 0.00 N ATOM 1500 CA GLY A 105 82.528 -1.117 -7.202 1.00 0.00 C ATOM 1501 C GLY A 105 84.000 -0.721 -7.213 1.00 0.00 C ATOM 1502 O GLY A 105 84.427 0.114 -8.012 1.00 0.00 O ATOM 0 H GLY A 105 81.300 0.407 -7.962 1.00 0.00 H new ATOM 0 HA2 GLY A 105 82.089 -0.873 -6.235 1.00 0.00 H new ATOM 0 HA3 GLY A 105 82.437 -2.196 -7.330 1.00 0.00 H new ATOM 1506 N THR A 106 84.775 -1.338 -6.327 1.00 0.00 N ATOM 1507 CA THR A 106 86.197 -1.034 -6.217 1.00 0.00 C ATOM 1508 C THR A 106 86.945 -2.233 -5.646 1.00 0.00 C ATOM 1509 O THR A 106 86.513 -2.834 -4.662 1.00 0.00 O ATOM 1510 CB THR A 106 86.392 0.180 -5.308 1.00 0.00 C ATOM 1511 OG1 THR A 106 85.641 1.260 -5.840 1.00 0.00 O ATOM 1512 CG2 THR A 106 87.870 0.569 -5.245 1.00 0.00 C ATOM 0 H THR A 106 84.443 -2.050 -5.676 1.00 0.00 H new ATOM 0 HA THR A 106 86.593 -0.811 -7.208 1.00 0.00 H new ATOM 0 HB THR A 106 86.056 -0.061 -4.299 1.00 0.00 H new ATOM 0 HG1 THR A 106 86.123 1.652 -6.598 1.00 0.00 H new ATOM 0 HG21 THR A 106 87.991 1.435 -4.594 1.00 0.00 H new ATOM 0 HG22 THR A 106 88.449 -0.266 -4.850 1.00 0.00 H new ATOM 0 HG23 THR A 106 88.224 0.815 -6.246 1.00 0.00 H new ATOM 1520 N LYS A 107 88.074 -2.570 -6.260 1.00 0.00 N ATOM 1521 CA LYS A 107 88.868 -3.700 -5.793 1.00 0.00 C ATOM 1522 C LYS A 107 89.719 -3.299 -4.594 1.00 0.00 C ATOM 1523 O LYS A 107 90.719 -2.595 -4.737 1.00 0.00 O ATOM 1524 CB LYS A 107 89.771 -4.216 -6.914 1.00 0.00 C ATOM 1525 CG LYS A 107 90.563 -5.417 -6.393 1.00 0.00 C ATOM 1526 CD LYS A 107 91.231 -6.147 -7.560 1.00 0.00 C ATOM 1527 CE LYS A 107 91.952 -7.386 -7.024 1.00 0.00 C ATOM 1528 NZ LYS A 107 92.667 -8.066 -8.140 1.00 0.00 N ATOM 0 H LYS A 107 88.456 -2.084 -7.071 1.00 0.00 H new ATOM 0 HA LYS A 107 88.184 -4.493 -5.491 1.00 0.00 H new ATOM 0 HB2 LYS A 107 89.173 -4.504 -7.778 1.00 0.00 H new ATOM 0 HB3 LYS A 107 90.450 -3.430 -7.244 1.00 0.00 H new ATOM 0 HG2 LYS A 107 91.318 -5.084 -5.681 1.00 0.00 H new ATOM 0 HG3 LYS A 107 89.899 -6.097 -5.859 1.00 0.00 H new ATOM 0 HD2 LYS A 107 90.485 -6.436 -8.300 1.00 0.00 H new ATOM 0 HD3 LYS A 107 91.939 -5.487 -8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 107 92.659 -7.100 -6.245 1.00 0.00 H new ATOM 0 HE3 LYS A 107 91.235 -8.068 -6.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 93.157 -8.908 -7.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 91.982 -8.352 -8.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 93.362 -7.413 -8.556 1.00 0.00 H new ATOM 1542 N LEU A 108 89.315 -3.749 -3.409 1.00 0.00 N ATOM 1543 CA LEU A 108 90.074 -3.495 -2.192 1.00 0.00 C ATOM 1544 C LEU A 108 91.010 -4.667 -1.921 1.00 0.00 C ATOM 1545 O LEU A 108 90.561 -5.805 -1.790 1.00 0.00 O ATOM 1546 CB LEU A 108 89.094 -3.310 -1.028 1.00 0.00 C ATOM 1547 CG LEU A 108 89.817 -3.154 0.314 1.00 0.00 C ATOM 1548 CD1 LEU A 108 90.570 -1.824 0.350 1.00 0.00 C ATOM 1549 CD2 LEU A 108 88.790 -3.157 1.448 1.00 0.00 C ATOM 0 H LEU A 108 88.464 -4.293 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 108 90.674 -2.592 -2.304 1.00 0.00 H new ATOM 0 HB2 LEU A 108 88.476 -2.431 -1.211 1.00 0.00 H new ATOM 0 HB3 LEU A 108 88.422 -4.167 -0.980 1.00 0.00 H new ATOM 0 HG LEU A 108 90.518 -3.980 0.434 1.00 0.00 H new ATOM 0 HD11 LEU A 108 91.081 -1.721 1.307 1.00 0.00 H new ATOM 0 HD12 LEU A 108 91.302 -1.799 -0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 108 89.864 -1.003 0.225 1.00 0.00 H new ATOM 0 HD21 LEU A 108 89.303 -3.046 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 108 88.094 -2.329 1.311 1.00 0.00 H new ATOM 0 HD23 LEU A 108 88.240 -4.098 1.438 1.00 0.00 H new ATOM 1561 N THR A 109 92.283 -4.364 -1.688 1.00 0.00 N ATOM 1562 CA THR A 109 93.267 -5.399 -1.383 1.00 0.00 C ATOM 1563 C THR A 109 93.972 -5.087 -0.068 1.00 0.00 C ATOM 1564 O THR A 109 94.321 -3.939 0.204 1.00 0.00 O ATOM 1565 CB THR A 109 94.303 -5.477 -2.506 1.00 0.00 C ATOM 1566 OG1 THR A 109 93.647 -5.740 -3.738 1.00 0.00 O ATOM 1567 CG2 THR A 109 95.298 -6.600 -2.203 1.00 0.00 C ATOM 0 H THR A 109 92.657 -3.415 -1.704 1.00 0.00 H new ATOM 0 HA THR A 109 92.751 -6.355 -1.294 1.00 0.00 H new ATOM 0 HB THR A 109 94.837 -4.529 -2.577 1.00 0.00 H new ATOM 0 HG1 THR A 109 94.310 -5.788 -4.458 1.00 0.00 H new ATOM 0 HG21 THR A 109 96.037 -6.657 -3.002 1.00 0.00 H new ATOM 0 HG22 THR A 109 95.801 -6.395 -1.258 1.00 0.00 H new ATOM 0 HG23 THR A 109 94.766 -7.549 -2.133 1.00 0.00 H new ATOM 1575 N VAL A 110 94.144 -6.106 0.766 1.00 0.00 N ATOM 1576 CA VAL A 110 94.796 -5.937 2.061 1.00 0.00 C ATOM 1577 C VAL A 110 96.094 -6.737 2.096 1.00 0.00 C ATOM 1578 O VAL A 110 96.099 -7.936 1.817 1.00 0.00 O ATOM 1579 CB VAL A 110 93.865 -6.421 3.174 1.00 0.00 C ATOM 1580 CG1 VAL A 110 94.515 -6.161 4.535 1.00 0.00 C ATOM 1581 CG2 VAL A 110 92.521 -5.687 3.097 1.00 0.00 C ATOM 0 H VAL A 110 93.841 -7.060 0.569 1.00 0.00 H new ATOM 0 HA VAL A 110 95.021 -4.881 2.212 1.00 0.00 H new ATOM 0 HB VAL A 110 93.691 -7.490 3.051 1.00 0.00 H new ATOM 0 HG11 VAL A 110 93.851 -6.506 5.327 1.00 0.00 H new ATOM 0 HG12 VAL A 110 95.461 -6.699 4.595 1.00 0.00 H new ATOM 0 HG13 VAL A 110 94.696 -5.093 4.653 1.00 0.00 H new ATOM 0 HG21 VAL A 110 91.867 -6.040 3.894 1.00 0.00 H new ATOM 0 HG22 VAL A 110 92.685 -4.615 3.210 1.00 0.00 H new ATOM 0 HG23 VAL A 110 92.054 -5.883 2.132 1.00 0.00 H new ATOM 1591 N LEU A 111 97.185 -6.077 2.473 1.00 0.00 N ATOM 1592 CA LEU A 111 98.499 -6.712 2.532 1.00 0.00 C ATOM 1593 C LEU A 111 99.169 -6.358 3.857 1.00 0.00 C ATOM 1594 O LEU A 111 99.935 -5.429 3.901 1.00 0.00 O ATOM 1595 CB LEU A 111 99.373 -6.300 1.336 1.00 0.00 C ATOM 1596 CG LEU A 111 98.750 -5.137 0.554 1.00 0.00 C ATOM 1597 CD1 LEU A 111 98.739 -3.869 1.414 1.00 0.00 C ATOM 1598 CD2 LEU A 111 99.532 -4.879 -0.740 1.00 0.00 C ATOM 1599 OXT LEU A 111 98.904 -7.070 4.837 1.00 0.00 O ATOM 0 H LEU A 111 97.185 -5.094 2.745 1.00 0.00 H new ATOM 0 HA LEU A 111 98.374 -7.793 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 111 100.363 -6.012 1.690 1.00 0.00 H new ATOM 0 HB3 LEU A 111 99.508 -7.154 0.672 1.00 0.00 H new ATOM 0 HG LEU A 111 97.725 -5.405 0.297 1.00 0.00 H new ATOM 0 HD11 LEU A 111 98.295 -3.050 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 111 98.154 -4.046 2.316 1.00 0.00 H new ATOM 0 HD13 LEU A 111 99.761 -3.607 1.690 1.00 0.00 H new ATOM 0 HD21 LEU A 111 99.076 -4.051 -1.282 1.00 0.00 H new ATOM 0 HD22 LEU A 111 100.565 -4.629 -0.497 1.00 0.00 H new ATOM 0 HD23 LEU A 111 99.512 -5.774 -1.362 1.00 0.00 H new