USER MOD reduce.3.24.130724 H: found=0, std=0, add=417, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 417 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 ASN : amide:sc= -0.472 K(o=-0.47,f=-1.9) USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= -0.181 USER MOD Single : A 14 MET CE :methyl -169:sc= 0 (180deg=-0.00829) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -71:sc= 1.38 USER MOD Single : A 23 TYR OH : rot -34:sc= 0.011 USER MOD Single : A 25 ASN : amide:sc= -1.36 K(o=-1.4,f=-2.4) USER MOD Single : A 28 THR OG1 : rot -23:sc= 1.11 USER MOD Single : A 29 ASN : amide:sc= -0.309 X(o=-0.31,f=-0.6) USER MOD Single : A 31 MET CE :methyl 179:sc= -0.119 (180deg=-0.124) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 41 GLN : amide:sc= -0.426 K(o=-0.43,f=-1.9!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 25:sc= 0.759 USER MOD Single : A 52 MET CE :methyl 142:sc= -0.325 (180deg=-1.62!) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.362 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot -54:sc= 0.0498 USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=-0.0012) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.045 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -44.752 -6.784 11.169 1.00 0.00 N ATOM 2 CA GLY A 1 -43.586 -7.089 10.292 1.00 0.00 C ATOM 3 C GLY A 1 -43.512 -8.592 10.045 1.00 0.00 C ATOM 4 O GLY A 1 -42.628 -9.270 10.573 1.00 0.00 O ATOM 0 H1 GLY A 1 -44.801 -5.759 11.337 1.00 0.00 H new ATOM 0 H2 GLY A 1 -45.627 -7.102 10.706 1.00 0.00 H new ATOM 0 H3 GLY A 1 -44.642 -7.278 12.077 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -43.682 -6.559 9.345 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -42.665 -6.741 10.760 1.00 0.00 H new ATOM 10 N SER A 2 -44.445 -9.103 9.240 1.00 0.00 N ATOM 11 CA SER A 2 -44.482 -10.529 8.924 1.00 0.00 C ATOM 12 C SER A 2 -43.515 -10.851 7.787 1.00 0.00 C ATOM 13 O SER A 2 -42.660 -11.728 7.920 1.00 0.00 O ATOM 14 CB SER A 2 -45.897 -10.940 8.517 1.00 0.00 C ATOM 15 OG SER A 2 -46.824 -10.437 9.468 1.00 0.00 O ATOM 0 H SER A 2 -45.181 -8.553 8.798 1.00 0.00 H new ATOM 0 HA SER A 2 -44.183 -11.084 9.813 1.00 0.00 H new ATOM 0 HB2 SER A 2 -46.130 -10.552 7.525 1.00 0.00 H new ATOM 0 HB3 SER A 2 -45.970 -12.026 8.460 1.00 0.00 H new ATOM 0 HG SER A 2 -47.732 -10.697 9.209 1.00 0.00 H new ATOM 21 N MET A 3 -43.660 -10.132 6.672 1.00 0.00 N ATOM 22 CA MET A 3 -42.798 -10.346 5.510 1.00 0.00 C ATOM 23 C MET A 3 -41.373 -9.871 5.796 1.00 0.00 C ATOM 24 O MET A 3 -41.157 -9.017 6.659 1.00 0.00 O ATOM 25 CB MET A 3 -43.357 -9.611 4.282 1.00 0.00 C ATOM 26 CG MET A 3 -43.552 -8.119 4.594 1.00 0.00 C ATOM 27 SD MET A 3 -43.634 -7.184 3.046 1.00 0.00 S ATOM 28 CE MET A 3 -43.834 -5.542 3.780 1.00 0.00 C ATOM 0 H MET A 3 -44.361 -9.402 6.550 1.00 0.00 H new ATOM 0 HA MET A 3 -42.774 -11.416 5.302 1.00 0.00 H new ATOM 0 HB2 MET A 3 -42.675 -9.727 3.439 1.00 0.00 H new ATOM 0 HB3 MET A 3 -44.308 -10.055 3.986 1.00 0.00 H new ATOM 0 HG2 MET A 3 -44.467 -7.973 5.168 1.00 0.00 H new ATOM 0 HG3 MET A 3 -42.729 -7.754 5.208 1.00 0.00 H new ATOM 0 HE1 MET A 3 -43.907 -4.796 2.989 1.00 0.00 H new ATOM 0 HE2 MET A 3 -44.742 -5.521 4.383 1.00 0.00 H new ATOM 0 HE3 MET A 3 -42.974 -5.319 4.411 1.00 0.00 H new ATOM 38 N ALA A 4 -40.407 -10.431 5.063 1.00 0.00 N ATOM 39 CA ALA A 4 -38.998 -10.065 5.234 1.00 0.00 C ATOM 40 C ALA A 4 -38.364 -9.702 3.886 1.00 0.00 C ATOM 41 O ALA A 4 -37.172 -9.940 3.663 1.00 0.00 O ATOM 42 CB ALA A 4 -38.242 -11.238 5.868 1.00 0.00 C ATOM 0 H ALA A 4 -40.574 -11.138 4.347 1.00 0.00 H new ATOM 0 HA ALA A 4 -38.937 -9.194 5.886 1.00 0.00 H new ATOM 0 HB1 ALA A 4 -37.194 -10.968 5.996 1.00 0.00 H new ATOM 0 HB2 ALA A 4 -38.679 -11.470 6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 4 -38.315 -12.111 5.220 1.00 0.00 H new ATOM 48 N GLN A 5 -39.168 -9.121 2.986 1.00 0.00 N ATOM 49 CA GLN A 5 -38.682 -8.726 1.659 1.00 0.00 C ATOM 50 C GLN A 5 -38.633 -7.198 1.524 1.00 0.00 C ATOM 51 O GLN A 5 -38.850 -6.653 0.437 1.00 0.00 O ATOM 52 CB GLN A 5 -39.589 -9.326 0.570 1.00 0.00 C ATOM 53 CG GLN A 5 -41.048 -8.915 0.806 1.00 0.00 C ATOM 54 CD GLN A 5 -41.855 -9.096 -0.475 1.00 0.00 C ATOM 55 OE1 GLN A 5 -41.899 -10.193 -1.033 1.00 0.00 O ATOM 56 NE2 GLN A 5 -42.502 -8.080 -0.977 1.00 0.00 N ATOM 0 H GLN A 5 -40.153 -8.915 3.152 1.00 0.00 H new ATOM 0 HA GLN A 5 -37.669 -9.110 1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -39.263 -8.986 -0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -39.505 -10.413 0.575 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -41.479 -9.518 1.605 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -41.094 -7.875 1.130 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -42.465 -7.172 -0.514 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -43.045 -8.194 -1.833 1.00 0.00 H new ATOM 65 N GLU A 6 -38.340 -6.511 2.634 1.00 0.00 N ATOM 66 CA GLU A 6 -38.260 -5.049 2.629 1.00 0.00 C ATOM 67 C GLU A 6 -36.806 -4.589 2.696 1.00 0.00 C ATOM 68 O GLU A 6 -36.216 -4.529 3.778 1.00 0.00 O ATOM 69 CB GLU A 6 -39.032 -4.475 3.819 1.00 0.00 C ATOM 70 CG GLU A 6 -39.398 -3.018 3.532 1.00 0.00 C ATOM 71 CD GLU A 6 -39.924 -2.353 4.799 1.00 0.00 C ATOM 72 OE1 GLU A 6 -39.290 -2.503 5.830 1.00 0.00 O ATOM 73 OE2 GLU A 6 -40.953 -1.702 4.720 1.00 0.00 O ATOM 0 H GLU A 6 -38.156 -6.942 3.540 1.00 0.00 H new ATOM 0 HA GLU A 6 -38.702 -4.687 1.701 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -39.934 -5.060 3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -38.427 -4.538 4.724 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -38.524 -2.480 3.165 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -40.153 -2.972 2.747 1.00 0.00 H new ATOM 80 N THR A 7 -36.239 -4.265 1.532 1.00 0.00 N ATOM 81 CA THR A 7 -34.854 -3.804 1.460 1.00 0.00 C ATOM 82 C THR A 7 -34.803 -2.280 1.398 1.00 0.00 C ATOM 83 O THR A 7 -35.389 -1.670 0.502 1.00 0.00 O ATOM 84 CB THR A 7 -34.175 -4.389 0.219 1.00 0.00 C ATOM 85 OG1 THR A 7 -34.550 -5.753 0.073 1.00 0.00 O ATOM 86 CG2 THR A 7 -32.657 -4.288 0.373 1.00 0.00 C ATOM 0 H THR A 7 -36.716 -4.313 0.632 1.00 0.00 H new ATOM 0 HA THR A 7 -34.329 -4.140 2.354 1.00 0.00 H new ATOM 0 HB THR A 7 -34.487 -3.831 -0.664 1.00 0.00 H new ATOM 0 HG1 THR A 7 -34.117 -6.128 -0.722 1.00 0.00 H new ATOM 0 HG21 THR A 7 -32.173 -4.704 -0.510 1.00 0.00 H new ATOM 0 HG22 THR A 7 -32.371 -3.242 0.484 1.00 0.00 H new ATOM 0 HG23 THR A 7 -32.343 -4.845 1.255 1.00 0.00 H new ATOM 94 N ASN A 8 -34.099 -1.671 2.357 1.00 0.00 N ATOM 95 CA ASN A 8 -33.974 -0.212 2.410 1.00 0.00 C ATOM 96 C ASN A 8 -32.520 0.213 2.196 1.00 0.00 C ATOM 97 O ASN A 8 -32.245 1.144 1.438 1.00 0.00 O ATOM 98 CB ASN A 8 -34.488 0.318 3.759 1.00 0.00 C ATOM 99 CG ASN A 8 -33.762 -0.357 4.923 1.00 0.00 C ATOM 100 OD1 ASN A 8 -33.973 -1.540 5.187 1.00 0.00 O ATOM 101 ND2 ASN A 8 -32.913 0.333 5.637 1.00 0.00 N ATOM 0 H ASN A 8 -33.609 -2.163 3.104 1.00 0.00 H new ATOM 0 HA ASN A 8 -34.580 0.214 1.610 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -34.341 1.397 3.810 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -35.560 0.138 3.840 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -32.423 -0.109 6.415 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -32.740 1.314 5.416 1.00 0.00 H new ATOM 108 N GLN A 9 -31.596 -0.479 2.868 1.00 0.00 N ATOM 109 CA GLN A 9 -30.169 -0.175 2.746 1.00 0.00 C ATOM 110 C GLN A 9 -29.356 -1.463 2.691 1.00 0.00 C ATOM 111 O GLN A 9 -29.785 -2.494 3.215 1.00 0.00 O ATOM 112 CB GLN A 9 -29.710 0.665 3.939 1.00 0.00 C ATOM 113 CG GLN A 9 -30.250 2.088 3.802 1.00 0.00 C ATOM 114 CD GLN A 9 -29.781 2.935 4.978 1.00 0.00 C ATOM 115 OE1 GLN A 9 -28.934 3.814 4.814 1.00 0.00 O ATOM 116 NE2 GLN A 9 -30.285 2.724 6.165 1.00 0.00 N ATOM 0 H GLN A 9 -31.810 -1.251 3.500 1.00 0.00 H new ATOM 0 HA GLN A 9 -30.012 0.386 1.825 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -30.064 0.219 4.868 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -28.621 0.681 3.988 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -29.907 2.528 2.866 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -31.339 2.071 3.766 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -30.986 1.996 6.299 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -29.977 3.288 6.957 1.00 0.00 H new ATOM 125 N THR A 10 -28.177 -1.401 2.060 1.00 0.00 N ATOM 126 CA THR A 10 -27.314 -2.577 1.954 1.00 0.00 C ATOM 127 C THR A 10 -26.257 -2.574 3.070 1.00 0.00 C ATOM 128 O THR A 10 -25.780 -1.506 3.461 1.00 0.00 O ATOM 129 CB THR A 10 -26.621 -2.611 0.578 1.00 0.00 C ATOM 130 OG1 THR A 10 -25.754 -3.740 0.512 1.00 0.00 O ATOM 131 CG2 THR A 10 -25.814 -1.323 0.339 1.00 0.00 C ATOM 0 H THR A 10 -27.805 -0.559 1.621 1.00 0.00 H new ATOM 0 HA THR A 10 -27.935 -3.466 2.061 1.00 0.00 H new ATOM 0 HB THR A 10 -27.385 -2.686 -0.195 1.00 0.00 H new ATOM 0 HG1 THR A 10 -25.314 -3.764 -0.363 1.00 0.00 H new ATOM 0 HG21 THR A 10 -25.334 -1.370 -0.638 1.00 0.00 H new ATOM 0 HG22 THR A 10 -26.483 -0.463 0.374 1.00 0.00 H new ATOM 0 HG23 THR A 10 -25.053 -1.222 1.112 1.00 0.00 H new ATOM 139 N PRO A 11 -25.869 -3.736 3.583 1.00 0.00 N ATOM 140 CA PRO A 11 -24.845 -3.834 4.651 1.00 0.00 C ATOM 141 C PRO A 11 -23.444 -3.987 4.066 1.00 0.00 C ATOM 142 O PRO A 11 -23.290 -4.380 2.907 1.00 0.00 O ATOM 143 CB PRO A 11 -25.260 -5.095 5.404 1.00 0.00 C ATOM 144 CG PRO A 11 -25.884 -5.982 4.372 1.00 0.00 C ATOM 145 CD PRO A 11 -26.358 -5.085 3.220 1.00 0.00 C ATOM 0 HA PRO A 11 -24.799 -2.946 5.281 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -24.400 -5.577 5.869 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -25.965 -4.863 6.202 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -25.165 -6.719 4.014 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -26.722 -6.535 4.797 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -25.948 -5.413 2.265 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -27.444 -5.102 3.123 1.00 0.00 H new ATOM 153 N GLY A 12 -22.430 -3.679 4.874 1.00 0.00 N ATOM 154 CA GLY A 12 -21.044 -3.790 4.426 1.00 0.00 C ATOM 155 C GLY A 12 -20.578 -2.547 3.649 1.00 0.00 C ATOM 156 O GLY A 12 -19.928 -2.694 2.608 1.00 0.00 O ATOM 0 H GLY A 12 -22.541 -3.353 5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -20.396 -3.939 5.290 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -20.939 -4.671 3.793 1.00 0.00 H new ATOM 160 N PRO A 13 -20.878 -1.330 4.107 1.00 0.00 N ATOM 161 CA PRO A 13 -20.447 -0.092 3.390 1.00 0.00 C ATOM 162 C PRO A 13 -18.943 0.138 3.544 1.00 0.00 C ATOM 163 O PRO A 13 -18.504 0.876 4.431 1.00 0.00 O ATOM 164 CB PRO A 13 -21.251 1.026 4.064 1.00 0.00 C ATOM 165 CG PRO A 13 -21.528 0.527 5.439 1.00 0.00 C ATOM 166 CD PRO A 13 -21.634 -0.995 5.335 1.00 0.00 C ATOM 0 HA PRO A 13 -20.627 -0.146 2.316 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -20.686 1.958 4.089 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -22.176 1.228 3.524 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -20.730 0.814 6.124 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -22.452 0.955 5.828 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -21.208 -1.484 6.211 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -22.673 -1.318 5.263 1.00 0.00 H new ATOM 174 N MET A 14 -18.158 -0.511 2.681 1.00 0.00 N ATOM 175 CA MET A 14 -16.700 -0.383 2.726 1.00 0.00 C ATOM 176 C MET A 14 -16.270 1.007 2.235 1.00 0.00 C ATOM 177 O MET A 14 -15.625 1.139 1.193 1.00 0.00 O ATOM 178 CB MET A 14 -16.053 -1.490 1.863 1.00 0.00 C ATOM 179 CG MET A 14 -15.674 -2.689 2.740 1.00 0.00 C ATOM 180 SD MET A 14 -14.194 -2.279 3.703 1.00 0.00 S ATOM 181 CE MET A 14 -14.896 -2.552 5.349 1.00 0.00 C ATOM 0 H MET A 14 -18.505 -1.127 1.946 1.00 0.00 H new ATOM 0 HA MET A 14 -16.363 -0.498 3.756 1.00 0.00 H new ATOM 0 HB2 MET A 14 -16.746 -1.805 1.083 1.00 0.00 H new ATOM 0 HB3 MET A 14 -15.166 -1.100 1.363 1.00 0.00 H new ATOM 0 HG2 MET A 14 -16.498 -2.942 3.407 1.00 0.00 H new ATOM 0 HG3 MET A 14 -15.487 -3.565 2.119 1.00 0.00 H new ATOM 0 HE1 MET A 14 -14.211 -2.169 6.105 1.00 0.00 H new ATOM 0 HE2 MET A 14 -15.851 -2.032 5.428 1.00 0.00 H new ATOM 0 HE3 MET A 14 -15.050 -3.620 5.507 1.00 0.00 H new ATOM 191 N LEU A 15 -16.635 2.041 2.995 1.00 0.00 N ATOM 192 CA LEU A 15 -16.286 3.410 2.634 1.00 0.00 C ATOM 193 C LEU A 15 -14.806 3.652 2.924 1.00 0.00 C ATOM 194 O LEU A 15 -14.259 3.110 3.883 1.00 0.00 O ATOM 195 CB LEU A 15 -17.179 4.404 3.420 1.00 0.00 C ATOM 196 CG LEU A 15 -18.165 5.145 2.485 1.00 0.00 C ATOM 197 CD1 LEU A 15 -17.392 5.995 1.475 1.00 0.00 C ATOM 198 CD2 LEU A 15 -19.062 4.147 1.735 1.00 0.00 C ATOM 0 H LEU A 15 -17.169 1.954 3.859 1.00 0.00 H new ATOM 0 HA LEU A 15 -16.459 3.567 1.569 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -17.738 3.865 4.186 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -16.550 5.130 3.936 1.00 0.00 H new ATOM 0 HG LEU A 15 -18.795 5.790 3.098 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -18.095 6.512 0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -16.783 6.727 2.006 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -16.746 5.352 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -19.747 4.691 1.084 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -18.442 3.481 1.134 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -19.634 3.560 2.454 1.00 0.00 H new ATOM 210 N CYS A 16 -14.160 4.460 2.075 1.00 0.00 N ATOM 211 CA CYS A 16 -12.724 4.763 2.224 1.00 0.00 C ATOM 212 C CYS A 16 -12.366 5.200 3.654 1.00 0.00 C ATOM 213 O CYS A 16 -12.996 6.094 4.217 1.00 0.00 O ATOM 214 CB CYS A 16 -12.316 5.858 1.237 1.00 0.00 C ATOM 215 SG CYS A 16 -10.513 5.864 1.064 1.00 0.00 S ATOM 0 H CYS A 16 -14.604 4.917 1.278 1.00 0.00 H new ATOM 0 HA CYS A 16 -12.176 3.845 2.012 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -12.785 5.684 0.269 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -12.663 6.829 1.590 1.00 0.00 H new ATOM 220 N SER A 17 -11.355 4.540 4.226 1.00 0.00 N ATOM 221 CA SER A 17 -10.913 4.839 5.590 1.00 0.00 C ATOM 222 C SER A 17 -10.363 6.264 5.711 1.00 0.00 C ATOM 223 O SER A 17 -10.462 6.877 6.777 1.00 0.00 O ATOM 224 CB SER A 17 -9.842 3.837 6.030 1.00 0.00 C ATOM 225 OG SER A 17 -10.455 2.582 6.300 1.00 0.00 O ATOM 0 H SER A 17 -10.829 3.797 3.767 1.00 0.00 H new ATOM 0 HA SER A 17 -11.784 4.757 6.240 1.00 0.00 H new ATOM 0 HB2 SER A 17 -9.089 3.726 5.250 1.00 0.00 H new ATOM 0 HB3 SER A 17 -9.329 4.203 6.919 1.00 0.00 H new ATOM 0 HG SER A 17 -9.772 1.938 6.580 1.00 0.00 H new ATOM 231 N THR A 18 -9.782 6.786 4.623 1.00 0.00 N ATOM 232 CA THR A 18 -9.223 8.144 4.641 1.00 0.00 C ATOM 233 C THR A 18 -10.322 9.217 4.629 1.00 0.00 C ATOM 234 O THR A 18 -10.064 10.361 5.012 1.00 0.00 O ATOM 235 CB THR A 18 -8.283 8.357 3.449 1.00 0.00 C ATOM 236 OG1 THR A 18 -9.003 8.181 2.240 1.00 0.00 O ATOM 237 CG2 THR A 18 -7.130 7.353 3.516 1.00 0.00 C ATOM 0 H THR A 18 -9.687 6.298 3.732 1.00 0.00 H new ATOM 0 HA THR A 18 -8.661 8.245 5.569 1.00 0.00 H new ATOM 0 HB THR A 18 -7.879 9.369 3.483 1.00 0.00 H new ATOM 0 HG1 THR A 18 -9.214 7.231 2.120 1.00 0.00 H new ATOM 0 HG21 THR A 18 -6.464 7.507 2.667 1.00 0.00 H new ATOM 0 HG22 THR A 18 -6.576 7.497 4.443 1.00 0.00 H new ATOM 0 HG23 THR A 18 -7.528 6.339 3.485 1.00 0.00 H new ATOM 245 N GLY A 19 -11.543 8.849 4.219 1.00 0.00 N ATOM 246 CA GLY A 19 -12.656 9.798 4.205 1.00 0.00 C ATOM 247 C GLY A 19 -12.704 10.639 2.928 1.00 0.00 C ATOM 248 O GLY A 19 -12.951 11.846 2.995 1.00 0.00 O ATOM 0 H GLY A 19 -11.780 7.911 3.897 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -13.594 9.252 4.310 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -12.574 10.460 5.067 1.00 0.00 H new ATOM 252 N CYS A 20 -12.491 10.006 1.768 1.00 0.00 N ATOM 253 CA CYS A 20 -12.544 10.738 0.495 1.00 0.00 C ATOM 254 C CYS A 20 -13.993 10.824 -0.038 1.00 0.00 C ATOM 255 O CYS A 20 -14.311 11.721 -0.821 1.00 0.00 O ATOM 256 CB CYS A 20 -11.596 10.104 -0.547 1.00 0.00 C ATOM 257 SG CYS A 20 -12.109 8.417 -0.959 1.00 0.00 S ATOM 0 H CYS A 20 -12.285 9.011 1.683 1.00 0.00 H new ATOM 0 HA CYS A 20 -12.201 11.756 0.678 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -11.584 10.714 -1.450 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -10.578 10.092 -0.157 1.00 0.00 H new ATOM 262 N GLY A 21 -14.866 9.901 0.404 1.00 0.00 N ATOM 263 CA GLY A 21 -16.274 9.905 -0.021 1.00 0.00 C ATOM 264 C GLY A 21 -16.574 8.883 -1.129 1.00 0.00 C ATOM 265 O GLY A 21 -17.675 8.885 -1.684 1.00 0.00 O ATOM 0 H GLY A 21 -14.623 9.150 1.050 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -16.908 9.694 0.840 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -16.538 10.902 -0.374 1.00 0.00 H new ATOM 269 N PHE A 22 -15.606 8.017 -1.455 1.00 0.00 N ATOM 270 CA PHE A 22 -15.791 7.014 -2.500 1.00 0.00 C ATOM 271 C PHE A 22 -15.765 5.609 -1.901 1.00 0.00 C ATOM 272 O PHE A 22 -15.241 5.403 -0.805 1.00 0.00 O ATOM 273 CB PHE A 22 -14.677 7.138 -3.544 1.00 0.00 C ATOM 274 CG PHE A 22 -14.794 8.458 -4.277 1.00 0.00 C ATOM 275 CD1 PHE A 22 -14.435 9.648 -3.636 1.00 0.00 C ATOM 276 CD2 PHE A 22 -15.250 8.488 -5.602 1.00 0.00 C ATOM 277 CE1 PHE A 22 -14.533 10.870 -4.315 1.00 0.00 C ATOM 278 CE2 PHE A 22 -15.349 9.710 -6.281 1.00 0.00 C ATOM 279 CZ PHE A 22 -14.990 10.900 -5.637 1.00 0.00 C ATOM 0 H PHE A 22 -14.689 7.994 -1.008 1.00 0.00 H new ATOM 0 HA PHE A 22 -16.758 7.183 -2.973 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -13.704 7.068 -3.058 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -14.739 6.313 -4.253 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -14.082 9.625 -2.616 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -15.525 7.570 -6.100 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -14.256 11.788 -3.818 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -15.702 9.734 -7.301 1.00 0.00 H new ATOM 0 HZ PHE A 22 -15.066 11.841 -6.161 1.00 0.00 H new ATOM 289 N TYR A 23 -16.332 4.651 -2.635 1.00 0.00 N ATOM 290 CA TYR A 23 -16.372 3.260 -2.181 1.00 0.00 C ATOM 291 C TYR A 23 -14.968 2.653 -2.151 1.00 0.00 C ATOM 292 O TYR A 23 -14.116 2.984 -2.980 1.00 0.00 O ATOM 293 CB TYR A 23 -17.276 2.439 -3.109 1.00 0.00 C ATOM 294 CG TYR A 23 -17.781 1.196 -2.405 1.00 0.00 C ATOM 295 CD1 TYR A 23 -18.643 1.304 -1.304 1.00 0.00 C ATOM 296 CD2 TYR A 23 -17.408 -0.068 -2.875 1.00 0.00 C ATOM 297 CE1 TYR A 23 -19.130 0.147 -0.679 1.00 0.00 C ATOM 298 CE2 TYR A 23 -17.890 -1.222 -2.248 1.00 0.00 C ATOM 299 CZ TYR A 23 -18.752 -1.116 -1.150 1.00 0.00 C ATOM 300 OH TYR A 23 -19.235 -2.257 -0.542 1.00 0.00 O ATOM 0 H TYR A 23 -16.768 4.811 -3.543 1.00 0.00 H new ATOM 0 HA TYR A 23 -16.774 3.239 -1.168 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -18.120 3.047 -3.433 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -16.724 2.156 -4.005 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -18.932 2.278 -0.938 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -16.746 -0.153 -3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -19.797 0.230 0.166 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -17.597 -2.196 -2.611 1.00 0.00 H new ATOM 0 HH TYR A 23 -19.340 -2.096 0.419 1.00 0.00 H new ATOM 310 N GLY A 24 -14.746 1.757 -1.190 1.00 0.00 N ATOM 311 CA GLY A 24 -13.455 1.081 -1.033 1.00 0.00 C ATOM 312 C GLY A 24 -13.616 -0.430 -1.208 1.00 0.00 C ATOM 313 O GLY A 24 -14.723 -0.914 -1.456 1.00 0.00 O ATOM 0 H GLY A 24 -15.448 1.480 -0.503 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -12.746 1.464 -1.767 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -13.042 1.297 -0.047 1.00 0.00 H new ATOM 317 N ASN A 25 -12.511 -1.172 -1.070 1.00 0.00 N ATOM 318 CA ASN A 25 -12.545 -2.635 -1.213 1.00 0.00 C ATOM 319 C ASN A 25 -11.919 -3.311 0.016 1.00 0.00 C ATOM 320 O ASN A 25 -10.888 -2.843 0.507 1.00 0.00 O ATOM 321 CB ASN A 25 -11.769 -3.061 -2.469 1.00 0.00 C ATOM 322 CG ASN A 25 -12.376 -4.332 -3.060 1.00 0.00 C ATOM 323 OD1 ASN A 25 -13.600 -4.466 -3.123 1.00 0.00 O ATOM 324 ND2 ASN A 25 -11.592 -5.274 -3.505 1.00 0.00 N ATOM 0 H ASN A 25 -11.589 -0.789 -0.861 1.00 0.00 H new ATOM 0 HA ASN A 25 -13.586 -2.944 -1.302 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -11.792 -2.261 -3.208 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.722 -3.232 -2.218 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -11.991 -6.123 -3.906 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.580 -5.162 -3.452 1.00 0.00 H new ATOM 331 N PRO A 26 -12.493 -4.399 0.522 1.00 0.00 N ATOM 332 CA PRO A 26 -11.931 -5.108 1.704 1.00 0.00 C ATOM 333 C PRO A 26 -10.714 -5.967 1.349 1.00 0.00 C ATOM 334 O PRO A 26 -9.874 -6.232 2.213 1.00 0.00 O ATOM 335 CB PRO A 26 -13.093 -5.947 2.219 1.00 0.00 C ATOM 336 CG PRO A 26 -13.976 -6.194 1.041 1.00 0.00 C ATOM 337 CD PRO A 26 -13.721 -5.066 0.034 1.00 0.00 C ATOM 0 HA PRO A 26 -11.553 -4.414 2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.738 -6.886 2.644 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -13.633 -5.423 3.008 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -13.758 -7.164 0.594 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -15.023 -6.210 1.343 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -13.585 -5.458 -0.974 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -14.560 -4.372 -0.004 1.00 0.00 H new ATOM 345 N ARG A 27 -10.590 -6.357 0.071 1.00 0.00 N ATOM 346 CA ARG A 27 -9.433 -7.138 -0.373 1.00 0.00 C ATOM 347 C ARG A 27 -8.192 -6.240 -0.380 1.00 0.00 C ATOM 348 O ARG A 27 -7.090 -6.688 -0.055 1.00 0.00 O ATOM 349 CB ARG A 27 -9.669 -7.696 -1.779 1.00 0.00 C ATOM 350 CG ARG A 27 -10.548 -8.950 -1.702 1.00 0.00 C ATOM 351 CD ARG A 27 -10.276 -9.847 -2.914 1.00 0.00 C ATOM 352 NE ARG A 27 -10.499 -9.106 -4.160 1.00 0.00 N ATOM 353 CZ ARG A 27 -9.948 -9.461 -5.337 1.00 0.00 C ATOM 354 NH1 ARG A 27 -9.168 -10.517 -5.450 1.00 0.00 N ATOM 355 NH2 ARG A 27 -10.194 -8.739 -6.397 1.00 0.00 N ATOM 0 H ARG A 27 -11.268 -6.146 -0.661 1.00 0.00 H new ATOM 0 HA ARG A 27 -9.285 -7.973 0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -10.149 -6.942 -2.403 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -8.716 -7.938 -2.248 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.341 -9.495 -0.781 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -11.600 -8.667 -1.676 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -9.250 -10.213 -2.880 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -10.927 -10.720 -2.881 1.00 0.00 H new ATOM 0 HE ARG A 27 -11.100 -8.282 -4.134 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -8.966 -11.092 -4.632 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -8.766 -10.759 -6.356 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -10.796 -7.919 -6.327 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -9.784 -8.995 -7.295 1.00 0.00 H new ATOM 369 N THR A 28 -8.397 -4.955 -0.705 1.00 0.00 N ATOM 370 CA THR A 28 -7.310 -3.985 -0.696 1.00 0.00 C ATOM 371 C THR A 28 -6.992 -3.657 0.772 1.00 0.00 C ATOM 372 O THR A 28 -7.317 -4.455 1.657 1.00 0.00 O ATOM 373 CB THR A 28 -7.727 -2.719 -1.474 1.00 0.00 C ATOM 374 OG1 THR A 28 -8.808 -2.086 -0.800 1.00 0.00 O ATOM 375 CG2 THR A 28 -8.158 -3.088 -2.898 1.00 0.00 C ATOM 0 H THR A 28 -9.303 -4.572 -0.975 1.00 0.00 H new ATOM 0 HA THR A 28 -6.422 -4.388 -1.183 1.00 0.00 H new ATOM 0 HB THR A 28 -6.877 -2.039 -1.528 1.00 0.00 H new ATOM 0 HG1 THR A 28 -9.275 -2.742 -0.242 1.00 0.00 H new ATOM 0 HG21 THR A 28 -8.449 -2.186 -3.435 1.00 0.00 H new ATOM 0 HG22 THR A 28 -7.328 -3.567 -3.417 1.00 0.00 H new ATOM 0 HG23 THR A 28 -9.004 -3.774 -2.856 1.00 0.00 H new ATOM 383 N ASN A 29 -6.380 -2.498 1.046 1.00 0.00 N ATOM 384 CA ASN A 29 -6.069 -2.115 2.425 1.00 0.00 C ATOM 385 C ASN A 29 -7.220 -1.299 3.051 1.00 0.00 C ATOM 386 O ASN A 29 -6.988 -0.511 3.968 1.00 0.00 O ATOM 387 CB ASN A 29 -4.765 -1.289 2.442 1.00 0.00 C ATOM 388 CG ASN A 29 -3.585 -2.153 2.888 1.00 0.00 C ATOM 389 OD1 ASN A 29 -2.534 -2.152 2.245 1.00 0.00 O ATOM 390 ND2 ASN A 29 -3.699 -2.885 3.963 1.00 0.00 N ATOM 0 H ASN A 29 -6.094 -1.819 0.341 1.00 0.00 H new ATOM 0 HA ASN A 29 -5.941 -3.021 3.018 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -4.571 -0.885 1.448 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -4.875 -0.439 3.116 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -2.916 -3.460 4.274 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -4.571 -2.882 4.492 1.00 0.00 H new ATOM 397 N GLY A 30 -8.453 -1.485 2.553 1.00 0.00 N ATOM 398 CA GLY A 30 -9.609 -0.750 3.066 1.00 0.00 C ATOM 399 C GLY A 30 -9.718 0.651 2.434 1.00 0.00 C ATOM 400 O GLY A 30 -10.507 1.476 2.896 1.00 0.00 O ATOM 0 H GLY A 30 -8.670 -2.137 1.799 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -10.519 -1.314 2.861 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.529 -0.656 4.149 1.00 0.00 H new ATOM 404 N MET A 31 -8.919 0.916 1.385 1.00 0.00 N ATOM 405 CA MET A 31 -8.925 2.212 0.713 1.00 0.00 C ATOM 406 C MET A 31 -9.417 2.065 -0.725 1.00 0.00 C ATOM 407 O MET A 31 -9.337 0.981 -1.308 1.00 0.00 O ATOM 408 CB MET A 31 -7.502 2.783 0.716 1.00 0.00 C ATOM 409 CG MET A 31 -7.248 3.561 2.013 1.00 0.00 C ATOM 410 SD MET A 31 -7.128 2.417 3.411 1.00 0.00 S ATOM 411 CE MET A 31 -5.325 2.268 3.428 1.00 0.00 C ATOM 0 H MET A 31 -8.262 0.243 0.989 1.00 0.00 H new ATOM 0 HA MET A 31 -9.598 2.887 1.242 1.00 0.00 H new ATOM 0 HB2 MET A 31 -6.777 1.974 0.620 1.00 0.00 H new ATOM 0 HB3 MET A 31 -7.363 3.439 -0.144 1.00 0.00 H new ATOM 0 HG2 MET A 31 -6.328 4.138 1.926 1.00 0.00 H new ATOM 0 HG3 MET A 31 -8.056 4.273 2.184 1.00 0.00 H new ATOM 0 HE1 MET A 31 -5.022 1.608 4.241 1.00 0.00 H new ATOM 0 HE2 MET A 31 -4.985 1.854 2.479 1.00 0.00 H new ATOM 0 HE3 MET A 31 -4.880 3.252 3.574 1.00 0.00 H new ATOM 421 N CYS A 32 -9.930 3.162 -1.287 1.00 0.00 N ATOM 422 CA CYS A 32 -10.438 3.154 -2.652 1.00 0.00 C ATOM 423 C CYS A 32 -9.271 3.012 -3.649 1.00 0.00 C ATOM 424 O CYS A 32 -8.195 2.558 -3.272 1.00 0.00 O ATOM 425 CB CYS A 32 -11.290 4.423 -2.899 1.00 0.00 C ATOM 426 SG CYS A 32 -10.263 5.922 -2.897 1.00 0.00 S ATOM 0 H CYS A 32 -10.003 4.063 -0.815 1.00 0.00 H new ATOM 0 HA CYS A 32 -11.090 2.294 -2.806 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -11.807 4.336 -3.855 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -12.056 4.504 -2.128 1.00 0.00 H new ATOM 431 N SER A 33 -9.492 3.377 -4.914 1.00 0.00 N ATOM 432 CA SER A 33 -8.446 3.251 -5.939 1.00 0.00 C ATOM 433 C SER A 33 -7.358 4.319 -5.801 1.00 0.00 C ATOM 434 O SER A 33 -6.168 4.004 -5.864 1.00 0.00 O ATOM 435 CB SER A 33 -9.076 3.332 -7.334 1.00 0.00 C ATOM 436 OG SER A 33 -8.439 2.399 -8.194 1.00 0.00 O ATOM 0 H SER A 33 -10.375 3.759 -5.254 1.00 0.00 H new ATOM 0 HA SER A 33 -7.968 2.282 -5.797 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.144 3.120 -7.276 1.00 0.00 H new ATOM 0 HB3 SER A 33 -8.973 4.341 -7.734 1.00 0.00 H new ATOM 0 HG SER A 33 -8.842 2.448 -9.086 1.00 0.00 H new ATOM 442 N VAL A 34 -7.768 5.578 -5.656 1.00 0.00 N ATOM 443 CA VAL A 34 -6.815 6.694 -5.559 1.00 0.00 C ATOM 444 C VAL A 34 -6.021 6.652 -4.242 1.00 0.00 C ATOM 445 O VAL A 34 -4.789 6.637 -4.254 1.00 0.00 O ATOM 446 CB VAL A 34 -7.556 8.045 -5.679 1.00 0.00 C ATOM 447 CG1 VAL A 34 -6.546 9.169 -5.903 1.00 0.00 C ATOM 448 CG2 VAL A 34 -8.530 8.025 -6.868 1.00 0.00 C ATOM 0 H VAL A 34 -8.748 5.855 -5.603 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.108 6.592 -6.383 1.00 0.00 H new ATOM 0 HB VAL A 34 -8.111 8.211 -4.756 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.072 10.120 -5.987 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -5.855 9.210 -5.061 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -5.989 8.980 -6.821 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -9.042 8.985 -6.935 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.976 7.844 -7.789 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -9.264 7.232 -6.724 1.00 0.00 H new ATOM 458 N CYS A 35 -6.736 6.657 -3.116 1.00 0.00 N ATOM 459 CA CYS A 35 -6.106 6.647 -1.784 1.00 0.00 C ATOM 460 C CYS A 35 -5.186 5.436 -1.581 1.00 0.00 C ATOM 461 O CYS A 35 -4.160 5.546 -0.907 1.00 0.00 O ATOM 462 CB CYS A 35 -7.183 6.638 -0.691 1.00 0.00 C ATOM 463 SG CYS A 35 -8.225 8.118 -0.827 1.00 0.00 S ATOM 0 H CYS A 35 -7.756 6.668 -3.095 1.00 0.00 H new ATOM 0 HA CYS A 35 -5.499 7.550 -1.716 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -7.797 5.742 -0.783 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -6.714 6.604 0.292 1.00 0.00 H new ATOM 468 N TYR A 36 -5.561 4.286 -2.149 1.00 0.00 N ATOM 469 CA TYR A 36 -4.757 3.061 -2.002 1.00 0.00 C ATOM 470 C TYR A 36 -3.370 3.227 -2.631 1.00 0.00 C ATOM 471 O TYR A 36 -2.398 2.623 -2.166 1.00 0.00 O ATOM 472 CB TYR A 36 -5.497 1.868 -2.641 1.00 0.00 C ATOM 473 CG TYR A 36 -4.707 0.577 -2.492 1.00 0.00 C ATOM 474 CD1 TYR A 36 -4.268 0.157 -1.227 1.00 0.00 C ATOM 475 CD2 TYR A 36 -4.421 -0.196 -3.624 1.00 0.00 C ATOM 476 CE1 TYR A 36 -3.546 -1.035 -1.098 1.00 0.00 C ATOM 477 CE2 TYR A 36 -3.698 -1.387 -3.492 1.00 0.00 C ATOM 478 CZ TYR A 36 -3.261 -1.808 -2.231 1.00 0.00 C ATOM 479 OH TYR A 36 -2.549 -2.983 -2.102 1.00 0.00 O ATOM 0 H TYR A 36 -6.406 4.174 -2.709 1.00 0.00 H new ATOM 0 HA TYR A 36 -4.619 2.869 -0.938 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.475 1.753 -2.174 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -5.670 2.070 -3.698 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -4.487 0.753 -0.354 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -4.758 0.127 -4.598 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -3.208 -1.359 -0.125 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.477 -1.983 -4.365 1.00 0.00 H new ATOM 0 HH TYR A 36 -2.439 -3.397 -2.983 1.00 0.00 H new ATOM 489 N LYS A 37 -3.285 4.037 -3.684 1.00 0.00 N ATOM 490 CA LYS A 37 -2.015 4.263 -4.366 1.00 0.00 C ATOM 491 C LYS A 37 -1.122 5.195 -3.550 1.00 0.00 C ATOM 492 O LYS A 37 0.060 4.913 -3.343 1.00 0.00 O ATOM 493 CB LYS A 37 -2.283 4.880 -5.742 1.00 0.00 C ATOM 494 CG LYS A 37 -1.149 4.528 -6.702 1.00 0.00 C ATOM 495 CD LYS A 37 -1.375 5.253 -8.031 1.00 0.00 C ATOM 496 CE LYS A 37 -0.051 5.357 -8.790 1.00 0.00 C ATOM 497 NZ LYS A 37 -0.301 5.904 -10.157 1.00 0.00 N ATOM 0 H LYS A 37 -4.076 4.545 -4.081 1.00 0.00 H new ATOM 0 HA LYS A 37 -1.502 3.308 -4.481 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -3.231 4.513 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -2.372 5.963 -5.653 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -0.190 4.818 -6.274 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -1.113 3.451 -6.863 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -2.108 4.714 -8.631 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.781 6.248 -7.850 1.00 0.00 H new ATOM 0 HE2 LYS A 37 0.640 6.003 -8.249 1.00 0.00 H new ATOM 0 HE3 LYS A 37 0.418 4.376 -8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.599 5.975 -10.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -0.946 5.271 -10.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.731 6.848 -10.080 1.00 0.00 H new ATOM 511 N GLU A 38 -1.696 6.315 -3.104 1.00 0.00 N ATOM 512 CA GLU A 38 -0.950 7.310 -2.321 1.00 0.00 C ATOM 513 C GLU A 38 -0.474 6.721 -0.989 1.00 0.00 C ATOM 514 O GLU A 38 0.654 6.969 -0.559 1.00 0.00 O ATOM 515 CB GLU A 38 -1.831 8.540 -2.041 1.00 0.00 C ATOM 516 CG GLU A 38 -2.443 9.063 -3.347 1.00 0.00 C ATOM 517 CD GLU A 38 -2.956 10.485 -3.149 1.00 0.00 C ATOM 518 OE1 GLU A 38 -2.145 11.355 -2.879 1.00 0.00 O ATOM 519 OE2 GLU A 38 -4.153 10.683 -3.271 1.00 0.00 O ATOM 0 H GLU A 38 -2.673 6.558 -3.270 1.00 0.00 H new ATOM 0 HA GLU A 38 -0.080 7.606 -2.907 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -2.623 8.277 -1.340 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -1.236 9.323 -1.571 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -1.697 9.044 -4.141 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.260 8.413 -3.661 1.00 0.00 H new ATOM 526 N HIS A 39 -1.353 5.959 -0.335 1.00 0.00 N ATOM 527 CA HIS A 39 -1.039 5.347 0.962 1.00 0.00 C ATOM 528 C HIS A 39 0.105 4.333 0.846 1.00 0.00 C ATOM 529 O HIS A 39 1.037 4.352 1.654 1.00 0.00 O ATOM 530 CB HIS A 39 -2.298 4.657 1.514 1.00 0.00 C ATOM 531 CG HIS A 39 -2.074 4.185 2.929 1.00 0.00 C ATOM 532 ND1 HIS A 39 -2.192 5.029 4.023 1.00 0.00 N ATOM 533 CD2 HIS A 39 -1.755 2.951 3.440 1.00 0.00 C ATOM 534 CE1 HIS A 39 -1.947 4.297 5.126 1.00 0.00 C ATOM 535 NE2 HIS A 39 -1.676 3.024 4.827 1.00 0.00 N ATOM 0 H HIS A 39 -2.289 5.750 -0.681 1.00 0.00 H new ATOM 0 HA HIS A 39 -0.714 6.134 1.643 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -3.139 5.349 1.486 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -2.561 3.810 0.881 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -1.590 2.059 2.854 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -1.967 4.692 6.131 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -1.458 2.268 5.476 1.00 0.00 H new ATOM 544 N LEU A 40 0.014 3.437 -0.138 1.00 0.00 N ATOM 545 CA LEU A 40 1.038 2.401 -0.327 1.00 0.00 C ATOM 546 C LEU A 40 2.402 3.011 -0.675 1.00 0.00 C ATOM 547 O LEU A 40 3.442 2.443 -0.333 1.00 0.00 O ATOM 548 CB LEU A 40 0.597 1.420 -1.431 1.00 0.00 C ATOM 549 CG LEU A 40 0.936 -0.025 -1.032 1.00 0.00 C ATOM 550 CD1 LEU A 40 0.094 -0.449 0.182 1.00 0.00 C ATOM 551 CD2 LEU A 40 0.644 -0.957 -2.213 1.00 0.00 C ATOM 0 H LEU A 40 -0.750 3.405 -0.813 1.00 0.00 H new ATOM 0 HA LEU A 40 1.147 1.862 0.614 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.475 1.514 -1.603 1.00 0.00 H new ATOM 0 HB3 LEU A 40 1.093 1.671 -2.368 1.00 0.00 H new ATOM 0 HG LEU A 40 1.992 -0.087 -0.767 1.00 0.00 H new ATOM 0 HD11 LEU A 40 0.342 -1.474 0.456 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.307 0.213 1.021 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.965 -0.387 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 40 0.883 -1.983 -1.934 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -0.411 -0.889 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 40 1.252 -0.662 -3.068 1.00 0.00 H new ATOM 563 N GLN A 41 2.390 4.165 -1.349 1.00 0.00 N ATOM 564 CA GLN A 41 3.635 4.841 -1.731 1.00 0.00 C ATOM 565 C GLN A 41 4.396 5.300 -0.483 1.00 0.00 C ATOM 566 O GLN A 41 5.623 5.190 -0.414 1.00 0.00 O ATOM 567 CB GLN A 41 3.321 6.042 -2.630 1.00 0.00 C ATOM 568 CG GLN A 41 4.614 6.577 -3.256 1.00 0.00 C ATOM 569 CD GLN A 41 5.034 5.697 -4.425 1.00 0.00 C ATOM 570 OE1 GLN A 41 5.522 4.585 -4.223 1.00 0.00 O ATOM 571 NE2 GLN A 41 4.868 6.129 -5.647 1.00 0.00 N ATOM 0 H GLN A 41 1.540 4.648 -1.640 1.00 0.00 H new ATOM 0 HA GLN A 41 4.262 4.140 -2.281 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.622 5.748 -3.413 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.837 6.826 -2.048 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.465 7.601 -3.597 1.00 0.00 H new ATOM 0 HG3 GLN A 41 5.406 6.603 -2.507 1.00 0.00 H new ATOM 0 HE21 GLN A 41 4.463 7.051 -5.812 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.143 5.544 -6.436 1.00 0.00 H new ATOM 580 N ARG A 42 3.650 5.819 0.497 1.00 0.00 N ATOM 581 CA ARG A 42 4.246 6.299 1.746 1.00 0.00 C ATOM 582 C ARG A 42 4.708 5.127 2.625 1.00 0.00 C ATOM 583 O ARG A 42 5.681 5.254 3.373 1.00 0.00 O ATOM 584 CB ARG A 42 3.217 7.157 2.515 1.00 0.00 C ATOM 585 CG ARG A 42 3.876 8.435 3.043 1.00 0.00 C ATOM 586 CD ARG A 42 4.065 9.427 1.891 1.00 0.00 C ATOM 587 NE ARG A 42 4.130 10.801 2.399 1.00 0.00 N ATOM 588 CZ ARG A 42 4.303 11.866 1.596 1.00 0.00 C ATOM 589 NH1 ARG A 42 4.485 11.736 0.300 1.00 0.00 N ATOM 590 NH2 ARG A 42 4.308 13.061 2.122 1.00 0.00 N ATOM 0 H ARG A 42 2.636 5.917 0.449 1.00 0.00 H new ATOM 0 HA ARG A 42 5.119 6.904 1.500 1.00 0.00 H new ATOM 0 HB2 ARG A 42 2.385 7.413 1.859 1.00 0.00 H new ATOM 0 HB3 ARG A 42 2.804 6.584 3.345 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.258 8.880 3.822 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.839 8.200 3.496 1.00 0.00 H new ATOM 0 HD2 ARG A 42 4.980 9.191 1.347 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.240 9.333 1.184 1.00 0.00 H new ATOM 0 HE ARG A 42 4.040 10.956 3.403 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.498 10.808 -0.123 1.00 0.00 H new ATOM 0 HH12 ARG A 42 4.613 12.563 -0.283 1.00 0.00 H new ATOM 0 HH21 ARG A 42 4.182 13.176 3.128 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.438 13.879 1.527 1.00 0.00 H new ATOM 604 N GLN A 43 3.999 3.997 2.532 1.00 0.00 N ATOM 605 CA GLN A 43 4.339 2.815 3.327 1.00 0.00 C ATOM 606 C GLN A 43 5.577 2.121 2.756 1.00 0.00 C ATOM 607 O GLN A 43 6.430 1.641 3.506 1.00 0.00 O ATOM 608 CB GLN A 43 3.155 1.840 3.335 1.00 0.00 C ATOM 609 CG GLN A 43 3.206 0.968 4.593 1.00 0.00 C ATOM 610 CD GLN A 43 1.871 0.255 4.788 1.00 0.00 C ATOM 611 OE1 GLN A 43 1.761 -0.943 4.522 1.00 0.00 O ATOM 612 NE2 GLN A 43 0.842 0.922 5.237 1.00 0.00 N ATOM 0 H GLN A 43 3.193 3.877 1.919 1.00 0.00 H new ATOM 0 HA GLN A 43 4.557 3.131 4.347 1.00 0.00 H new ATOM 0 HB2 GLN A 43 2.217 2.394 3.304 1.00 0.00 H new ATOM 0 HB3 GLN A 43 3.184 1.212 2.445 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.009 0.236 4.506 1.00 0.00 H new ATOM 0 HG3 GLN A 43 3.429 1.584 5.464 1.00 0.00 H new ATOM 0 HE21 GLN A 43 0.934 1.914 5.457 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -0.053 0.451 5.368 1.00 0.00 H new ATOM 621 N GLN A 44 5.659 2.068 1.424 1.00 0.00 N ATOM 622 CA GLN A 44 6.788 1.423 0.749 1.00 0.00 C ATOM 623 C GLN A 44 8.089 2.190 0.991 1.00 0.00 C ATOM 624 O GLN A 44 9.150 1.585 1.151 1.00 0.00 O ATOM 625 CB GLN A 44 6.518 1.345 -0.754 1.00 0.00 C ATOM 626 CG GLN A 44 7.485 0.351 -1.406 1.00 0.00 C ATOM 627 CD GLN A 44 6.848 -0.246 -2.658 1.00 0.00 C ATOM 628 OE1 GLN A 44 6.750 0.425 -3.684 1.00 0.00 O ATOM 629 NE2 GLN A 44 6.406 -1.474 -2.633 1.00 0.00 N ATOM 0 H GLN A 44 4.960 2.462 0.794 1.00 0.00 H new ATOM 0 HA GLN A 44 6.897 0.419 1.159 1.00 0.00 H new ATOM 0 HB2 GLN A 44 5.488 1.034 -0.932 1.00 0.00 H new ATOM 0 HB3 GLN A 44 6.636 2.330 -1.205 1.00 0.00 H new ATOM 0 HG2 GLN A 44 8.417 0.853 -1.665 1.00 0.00 H new ATOM 0 HG3 GLN A 44 7.736 -0.442 -0.701 1.00 0.00 H new ATOM 0 HE21 GLN A 44 6.488 -2.028 -1.781 1.00 0.00 H new ATOM 0 HE22 GLN A 44 5.978 -1.879 -3.466 1.00 0.00 H new ATOM 638 N ASN A 45 7.998 3.523 1.007 1.00 0.00 N ATOM 639 CA ASN A 45 9.179 4.372 1.223 1.00 0.00 C ATOM 640 C ASN A 45 9.796 4.141 2.606 1.00 0.00 C ATOM 641 O ASN A 45 11.000 4.332 2.789 1.00 0.00 O ATOM 642 CB ASN A 45 8.796 5.848 1.072 1.00 0.00 C ATOM 643 CG ASN A 45 10.050 6.703 0.923 1.00 0.00 C ATOM 644 OD1 ASN A 45 10.741 6.968 1.906 1.00 0.00 O ATOM 645 ND2 ASN A 45 10.384 7.157 -0.254 1.00 0.00 N ATOM 0 H ASN A 45 7.127 4.037 0.874 1.00 0.00 H new ATOM 0 HA ASN A 45 9.922 4.103 0.472 1.00 0.00 H new ATOM 0 HB2 ASN A 45 8.153 5.977 0.202 1.00 0.00 H new ATOM 0 HB3 ASN A 45 8.225 6.174 1.941 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.219 7.733 -0.360 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.810 6.936 -1.068 1.00 0.00 H new ATOM 652 N SER A 46 8.968 3.730 3.573 1.00 0.00 N ATOM 653 CA SER A 46 9.449 3.475 4.932 1.00 0.00 C ATOM 654 C SER A 46 10.377 2.264 4.958 1.00 0.00 C ATOM 655 O SER A 46 11.558 2.387 5.290 1.00 0.00 O ATOM 656 CB SER A 46 8.266 3.230 5.870 1.00 0.00 C ATOM 657 OG SER A 46 8.696 3.379 7.215 1.00 0.00 O ATOM 0 H SER A 46 7.970 3.568 3.440 1.00 0.00 H new ATOM 0 HA SER A 46 10.004 4.351 5.267 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.463 3.934 5.653 1.00 0.00 H new ATOM 0 HB3 SER A 46 7.864 2.229 5.713 1.00 0.00 H new ATOM 0 HG SER A 46 7.940 3.224 7.819 1.00 0.00 H new ATOM 663 N GLY A 47 9.833 1.095 4.609 1.00 0.00 N ATOM 664 CA GLY A 47 10.618 -0.138 4.597 1.00 0.00 C ATOM 665 C GLY A 47 10.575 -0.826 5.960 1.00 0.00 C ATOM 666 O GLY A 47 10.188 -1.992 6.060 1.00 0.00 O ATOM 0 H GLY A 47 8.858 0.979 4.333 1.00 0.00 H new ATOM 0 HA2 GLY A 47 10.232 -0.812 3.833 1.00 0.00 H new ATOM 0 HA3 GLY A 47 11.651 0.087 4.331 1.00 0.00 H new ATOM 670 N ARG A 48 10.976 -0.095 7.002 1.00 0.00 N ATOM 671 CA ARG A 48 10.981 -0.640 8.355 1.00 0.00 C ATOM 672 C ARG A 48 9.627 -0.403 9.033 1.00 0.00 C ATOM 673 O ARG A 48 9.485 0.493 9.872 1.00 0.00 O ATOM 674 CB ARG A 48 12.110 0.004 9.168 1.00 0.00 C ATOM 675 CG ARG A 48 13.460 -0.480 8.637 1.00 0.00 C ATOM 676 CD ARG A 48 13.753 -1.875 9.190 1.00 0.00 C ATOM 677 NE ARG A 48 15.159 -2.228 8.961 1.00 0.00 N ATOM 678 CZ ARG A 48 15.788 -3.204 9.642 1.00 0.00 C ATOM 679 NH1 ARG A 48 15.181 -3.899 10.579 1.00 0.00 N ATOM 680 NH2 ARG A 48 17.036 -3.466 9.366 1.00 0.00 N ATOM 0 H ARG A 48 11.299 0.870 6.933 1.00 0.00 H new ATOM 0 HA ARG A 48 11.152 -1.715 8.304 1.00 0.00 H new ATOM 0 HB2 ARG A 48 12.048 1.090 9.099 1.00 0.00 H new ATOM 0 HB3 ARG A 48 12.007 -0.255 10.222 1.00 0.00 H new ATOM 0 HG2 ARG A 48 13.447 -0.504 7.547 1.00 0.00 H new ATOM 0 HG3 ARG A 48 14.248 0.213 8.931 1.00 0.00 H new ATOM 0 HD2 ARG A 48 13.533 -1.904 10.257 1.00 0.00 H new ATOM 0 HD3 ARG A 48 13.104 -2.608 8.710 1.00 0.00 H new ATOM 0 HE ARG A 48 15.683 -1.711 8.255 1.00 0.00 H new ATOM 0 HH11 ARG A 48 14.206 -3.705 10.807 1.00 0.00 H new ATOM 0 HH12 ARG A 48 15.685 -4.632 11.077 1.00 0.00 H new ATOM 0 HH21 ARG A 48 17.521 -2.934 8.643 1.00 0.00 H new ATOM 0 HH22 ARG A 48 17.527 -4.203 9.873 1.00 0.00 H new ATOM 694 N MET A 49 8.633 -1.212 8.655 1.00 0.00 N ATOM 695 CA MET A 49 7.293 -1.086 9.225 1.00 0.00 C ATOM 696 C MET A 49 7.190 -1.860 10.543 1.00 0.00 C ATOM 697 O MET A 49 7.368 -3.079 10.569 1.00 0.00 O ATOM 698 CB MET A 49 6.227 -1.577 8.222 1.00 0.00 C ATOM 699 CG MET A 49 6.398 -3.076 7.909 1.00 0.00 C ATOM 700 SD MET A 49 5.383 -3.506 6.473 1.00 0.00 S ATOM 701 CE MET A 49 6.078 -5.151 6.187 1.00 0.00 C ATOM 0 H MET A 49 8.731 -1.954 7.963 1.00 0.00 H new ATOM 0 HA MET A 49 7.109 -0.032 9.433 1.00 0.00 H new ATOM 0 HB2 MET A 49 5.232 -1.400 8.631 1.00 0.00 H new ATOM 0 HB3 MET A 49 6.300 -1.001 7.300 1.00 0.00 H new ATOM 0 HG2 MET A 49 7.446 -3.300 7.709 1.00 0.00 H new ATOM 0 HG3 MET A 49 6.103 -3.675 8.770 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.587 -5.609 5.329 1.00 0.00 H new ATOM 0 HE2 MET A 49 7.147 -5.065 5.991 1.00 0.00 H new ATOM 0 HE3 MET A 49 5.920 -5.771 7.069 1.00 0.00 H new ATOM 711 N SER A 50 6.906 -1.137 11.631 1.00 0.00 N ATOM 712 CA SER A 50 6.785 -1.761 12.946 1.00 0.00 C ATOM 713 C SER A 50 5.933 -0.891 13.883 1.00 0.00 C ATOM 714 O SER A 50 6.461 0.022 14.525 1.00 0.00 O ATOM 715 CB SER A 50 8.176 -1.963 13.553 1.00 0.00 C ATOM 716 OG SER A 50 8.760 -3.137 13.003 1.00 0.00 O ATOM 0 H SER A 50 6.757 -0.128 11.625 1.00 0.00 H new ATOM 0 HA SER A 50 6.295 -2.727 12.827 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.806 -1.098 13.346 1.00 0.00 H new ATOM 0 HB3 SER A 50 8.104 -2.052 14.637 1.00 0.00 H new ATOM 0 HG SER A 50 8.365 -3.319 12.125 1.00 0.00 H new ATOM 722 N PRO A 51 4.633 -1.144 13.984 1.00 0.00 N ATOM 723 CA PRO A 51 3.733 -0.355 14.870 1.00 0.00 C ATOM 724 C PRO A 51 3.775 -0.847 16.320 1.00 0.00 C ATOM 725 O PRO A 51 2.936 -1.648 16.741 1.00 0.00 O ATOM 726 CB PRO A 51 2.353 -0.563 14.245 1.00 0.00 C ATOM 727 CG PRO A 51 2.406 -1.910 13.599 1.00 0.00 C ATOM 728 CD PRO A 51 3.877 -2.202 13.272 1.00 0.00 C ATOM 0 HA PRO A 51 4.021 0.695 14.931 1.00 0.00 H new ATOM 0 HB2 PRO A 51 1.569 -0.521 15.001 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.132 0.215 13.514 1.00 0.00 H new ATOM 0 HG2 PRO A 51 2.002 -2.672 14.266 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.800 -1.926 12.693 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.169 -3.196 13.612 1.00 0.00 H new ATOM 0 HD3 PRO A 51 4.060 -2.166 12.198 1.00 0.00 H new ATOM 736 N MET A 52 4.765 -0.362 17.076 1.00 0.00 N ATOM 737 CA MET A 52 4.920 -0.752 18.477 1.00 0.00 C ATOM 738 C MET A 52 5.396 0.441 19.315 1.00 0.00 C ATOM 739 O MET A 52 6.230 0.295 20.215 1.00 0.00 O ATOM 740 CB MET A 52 5.923 -1.909 18.582 1.00 0.00 C ATOM 741 CG MET A 52 5.659 -2.706 19.863 1.00 0.00 C ATOM 742 SD MET A 52 4.254 -3.816 19.604 1.00 0.00 S ATOM 743 CE MET A 52 5.061 -4.933 18.431 1.00 0.00 C ATOM 0 H MET A 52 5.467 0.298 16.741 1.00 0.00 H new ATOM 0 HA MET A 52 3.955 -1.079 18.863 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.834 -2.560 17.712 1.00 0.00 H new ATOM 0 HB3 MET A 52 6.942 -1.521 18.587 1.00 0.00 H new ATOM 0 HG2 MET A 52 6.544 -3.280 20.136 1.00 0.00 H new ATOM 0 HG3 MET A 52 5.452 -2.027 20.690 1.00 0.00 H new ATOM 0 HE1 MET A 52 4.741 -5.957 18.625 1.00 0.00 H new ATOM 0 HE2 MET A 52 4.786 -4.653 17.414 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.143 -4.863 18.547 1.00 0.00 H new ATOM 753 N GLY A 53 4.855 1.624 19.011 1.00 0.00 N ATOM 754 CA GLY A 53 5.225 2.838 19.734 1.00 0.00 C ATOM 755 C GLY A 53 6.506 3.441 19.161 1.00 0.00 C ATOM 756 O GLY A 53 6.483 4.529 18.581 1.00 0.00 O ATOM 0 H GLY A 53 4.164 1.764 18.274 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.415 3.565 19.671 1.00 0.00 H new ATOM 0 HA3 GLY A 53 5.366 2.609 20.790 1.00 0.00 H new ATOM 760 N THR A 54 7.621 2.726 19.331 1.00 0.00 N ATOM 761 CA THR A 54 8.918 3.190 18.827 1.00 0.00 C ATOM 762 C THR A 54 9.374 2.326 17.653 1.00 0.00 C ATOM 763 O THR A 54 8.815 1.257 17.405 1.00 0.00 O ATOM 764 CB THR A 54 9.973 3.148 19.946 1.00 0.00 C ATOM 765 OG1 THR A 54 11.247 3.469 19.402 1.00 0.00 O ATOM 766 CG2 THR A 54 10.029 1.751 20.579 1.00 0.00 C ATOM 0 H THR A 54 7.653 1.827 19.812 1.00 0.00 H new ATOM 0 HA THR A 54 8.805 4.219 18.485 1.00 0.00 H new ATOM 0 HB THR A 54 9.701 3.872 20.714 1.00 0.00 H new ATOM 0 HG1 THR A 54 11.922 3.445 20.112 1.00 0.00 H new ATOM 0 HG21 THR A 54 10.780 1.739 21.369 1.00 0.00 H new ATOM 0 HG22 THR A 54 9.055 1.504 21.001 1.00 0.00 H new ATOM 0 HG23 THR A 54 10.291 1.017 19.817 1.00 0.00 H new ATOM 774 N ALA A 55 10.395 2.800 16.934 1.00 0.00 N ATOM 775 CA ALA A 55 10.928 2.069 15.787 1.00 0.00 C ATOM 776 C ALA A 55 12.441 2.256 15.692 1.00 0.00 C ATOM 777 O ALA A 55 12.946 3.364 15.881 1.00 0.00 O ATOM 778 CB ALA A 55 10.268 2.562 14.499 1.00 0.00 C ATOM 0 H ALA A 55 10.866 3.684 17.127 1.00 0.00 H new ATOM 0 HA ALA A 55 10.711 1.009 15.921 1.00 0.00 H new ATOM 0 HB1 ALA A 55 10.672 2.011 13.649 1.00 0.00 H new ATOM 0 HB2 ALA A 55 9.191 2.401 14.557 1.00 0.00 H new ATOM 0 HB3 ALA A 55 10.470 3.625 14.371 1.00 0.00 H new ATOM 784 N SER A 56 13.154 1.166 15.399 1.00 0.00 N ATOM 785 CA SER A 56 14.610 1.218 15.282 1.00 0.00 C ATOM 786 C SER A 56 15.020 1.696 13.892 1.00 0.00 C ATOM 787 O SER A 56 14.295 1.490 12.918 1.00 0.00 O ATOM 788 CB SER A 56 15.206 -0.166 15.542 1.00 0.00 C ATOM 789 OG SER A 56 16.623 -0.089 15.455 1.00 0.00 O ATOM 0 H SER A 56 12.749 0.244 15.240 1.00 0.00 H new ATOM 0 HA SER A 56 14.989 1.922 16.023 1.00 0.00 H new ATOM 0 HB2 SER A 56 14.909 -0.523 16.528 1.00 0.00 H new ATOM 0 HB3 SER A 56 14.823 -0.882 14.815 1.00 0.00 H new ATOM 0 HG SER A 56 17.010 -0.974 15.623 1.00 0.00 H new ATOM 795 N GLY A 57 16.188 2.339 13.813 1.00 0.00 N ATOM 796 CA GLY A 57 16.693 2.848 12.541 1.00 0.00 C ATOM 797 C GLY A 57 16.047 4.187 12.196 1.00 0.00 C ATOM 798 O GLY A 57 15.117 4.244 11.390 1.00 0.00 O ATOM 0 H GLY A 57 16.797 2.517 14.612 1.00 0.00 H new ATOM 0 HA2 GLY A 57 17.775 2.965 12.595 1.00 0.00 H new ATOM 0 HA3 GLY A 57 16.490 2.127 11.749 1.00 0.00 H new ATOM 802 N SER A 58 16.547 5.260 12.813 1.00 0.00 N ATOM 803 CA SER A 58 16.013 6.601 12.570 1.00 0.00 C ATOM 804 C SER A 58 17.147 7.632 12.499 1.00 0.00 C ATOM 805 O SER A 58 16.983 8.784 12.917 1.00 0.00 O ATOM 806 CB SER A 58 15.031 6.974 13.683 1.00 0.00 C ATOM 807 OG SER A 58 14.168 8.005 13.222 1.00 0.00 O ATOM 0 H SER A 58 17.317 5.227 13.481 1.00 0.00 H new ATOM 0 HA SER A 58 15.491 6.602 11.613 1.00 0.00 H new ATOM 0 HB2 SER A 58 14.449 6.101 13.977 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.575 7.307 14.567 1.00 0.00 H new ATOM 0 HG SER A 58 14.703 8.754 12.886 1.00 0.00 H new ATOM 813 N ASN A 59 18.296 7.211 11.960 1.00 0.00 N ATOM 814 CA ASN A 59 19.448 8.100 11.833 1.00 0.00 C ATOM 815 C ASN A 59 19.332 8.949 10.570 1.00 0.00 C ATOM 816 O ASN A 59 18.707 8.536 9.591 1.00 0.00 O ATOM 817 CB ASN A 59 20.737 7.279 11.779 1.00 0.00 C ATOM 818 CG ASN A 59 21.037 6.689 13.153 1.00 0.00 C ATOM 819 OD1 ASN A 59 21.361 7.421 14.089 1.00 0.00 O ATOM 820 ND2 ASN A 59 20.947 5.399 13.332 1.00 0.00 N ATOM 0 H ASN A 59 18.450 6.266 11.608 1.00 0.00 H new ATOM 0 HA ASN A 59 19.472 8.759 12.701 1.00 0.00 H new ATOM 0 HB2 ASN A 59 20.638 6.480 11.044 1.00 0.00 H new ATOM 0 HB3 ASN A 59 21.566 7.909 11.456 1.00 0.00 H new ATOM 0 HD21 ASN A 59 21.145 4.996 14.248 1.00 0.00 H new ATOM 0 HD22 ASN A 59 20.679 4.794 12.556 1.00 0.00 H new ATOM 827 N SER A 60 19.939 10.139 10.599 1.00 0.00 N ATOM 828 CA SER A 60 19.902 11.043 9.452 1.00 0.00 C ATOM 829 C SER A 60 21.217 11.834 9.345 1.00 0.00 C ATOM 830 O SER A 60 21.318 12.946 9.871 1.00 0.00 O ATOM 831 CB SER A 60 18.720 12.006 9.589 1.00 0.00 C ATOM 832 OG SER A 60 18.386 12.525 8.307 1.00 0.00 O ATOM 0 H SER A 60 20.459 10.495 11.401 1.00 0.00 H new ATOM 0 HA SER A 60 19.780 10.452 8.544 1.00 0.00 H new ATOM 0 HB2 SER A 60 17.863 11.489 10.019 1.00 0.00 H new ATOM 0 HB3 SER A 60 18.975 12.819 10.268 1.00 0.00 H new ATOM 0 HG SER A 60 17.628 13.141 8.391 1.00 0.00 H new ATOM 838 N PRO A 61 22.229 11.291 8.678 1.00 0.00 N ATOM 839 CA PRO A 61 23.548 11.986 8.519 1.00 0.00 C ATOM 840 C PRO A 61 23.404 13.326 7.799 1.00 0.00 C ATOM 841 O PRO A 61 22.527 13.488 6.946 1.00 0.00 O ATOM 842 CB PRO A 61 24.402 11.005 7.697 1.00 0.00 C ATOM 843 CG PRO A 61 23.722 9.681 7.805 1.00 0.00 C ATOM 844 CD PRO A 61 22.240 9.971 8.011 1.00 0.00 C ATOM 0 HA PRO A 61 23.997 12.226 9.483 1.00 0.00 H new ATOM 0 HB2 PRO A 61 24.472 11.325 6.657 1.00 0.00 H new ATOM 0 HB3 PRO A 61 25.420 10.954 8.084 1.00 0.00 H new ATOM 0 HG2 PRO A 61 23.880 9.089 6.903 1.00 0.00 H new ATOM 0 HG3 PRO A 61 24.124 9.105 8.639 1.00 0.00 H new ATOM 0 HD2 PRO A 61 21.702 9.997 7.063 1.00 0.00 H new ATOM 0 HD3 PRO A 61 21.765 9.207 8.627 1.00 0.00 H new ATOM 852 N THR A 62 24.266 14.281 8.152 1.00 0.00 N ATOM 853 CA THR A 62 24.227 15.607 7.536 1.00 0.00 C ATOM 854 C THR A 62 25.090 15.638 6.279 1.00 0.00 C ATOM 855 O THR A 62 26.092 14.941 6.254 1.00 0.00 O ATOM 856 CB THR A 62 24.729 16.657 8.530 1.00 0.00 C ATOM 857 OG1 THR A 62 25.886 16.164 9.193 1.00 0.00 O ATOM 858 CG2 THR A 62 23.637 16.952 9.558 1.00 0.00 C ATOM 859 OXT THR A 62 24.736 16.355 5.358 1.00 0.00 O ATOM 0 H THR A 62 24.994 14.162 8.856 1.00 0.00 H new ATOM 0 HA THR A 62 23.197 15.831 7.260 1.00 0.00 H new ATOM 0 HB THR A 62 24.979 17.574 7.996 1.00 0.00 H new ATOM 0 HG1 THR A 62 26.210 16.836 9.829 1.00 0.00 H new ATOM 0 HG21 THR A 62 23.996 17.700 10.265 1.00 0.00 H new ATOM 0 HG22 THR A 62 22.750 17.330 9.049 1.00 0.00 H new ATOM 0 HG23 THR A 62 23.385 16.037 10.094 1.00 0.00 H new TER 867 THR A 62 HETATM 868 ZN ZN A 63 -10.266 7.054 -0.887 1.00 0.00 ZN