USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 704 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 79 LYS NZ :NH3+ -173:sc= 0.647 (180deg=0.599) USER MOD Set 1.2: A 81 ASN : amide:sc= 0.574! C(o=1.2!,f=-7.1!) USER MOD Set 2.1: A 24 MET CE :methyl -150:sc= -7.61! (180deg=-6.34!) USER MOD Set 2.2: A 39 CYS SG : rot 158:sc= -1.16 USER MOD Set 2.3: A 45 CYS SG : rot 164:sc= -13.6! USER MOD Set 2.4: A 48 CYS SG : rot -159:sc= -0.468 USER MOD Set 3.1: A 22 SER OG : rot 180:sc=0.000777 USER MOD Set 3.2: A 25 GLN : amide:sc= -23.4! C(o=-23!,f=-26!) USER MOD Single : A 1 SER N :NH3+ 139:sc= 0.93 (180deg=-1.31!) USER MOD Single : A 1 SER OG : rot -132:sc= -0.0867! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -121:sc= -8.09! USER MOD Single : A 7 SER OG : rot 145:sc= -2.58! USER MOD Single : A 8 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-3.4!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot -121:sc= -1.65! USER MOD Single : A 30 ASN : amide:sc= -7.84! C(o=-7.8!,f=-8.4!) USER MOD Single : A 33 TYR OH : rot 180:sc= -3.35! USER MOD Single : A 42 SER OG : rot 96:sc= 1.14 USER MOD Single : A 44 SER OG : rot -48:sc= 0.368! USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -20.1! C(o=-20!,f=-22!) USER MOD Single : A 51 TYR OH : rot 146:sc= 0.217 USER MOD Single : A 53 ASN : amide:sc= -16.9! C(o=-17!,f=-17!) USER MOD Single : A 57 THR OG1 : rot 87:sc= -1.87 USER MOD Single : A 59 LYS NZ :NH3+ -113:sc= 0 (180deg=-0.0305) USER MOD Single : A 64 ASN : amide:sc= -4.17! C(o=-4.2!,f=-11!) USER MOD Single : A 70 MET CE :methyl -149:sc= -21.8! (180deg=-26.6!) USER MOD Single : A 73 CYS SG : rot -106:sc= -6.82! USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -78:sc= -4.36! USER MOD Single : A 85 SER OG : rot -146:sc= -5.98! USER MOD Single : A 87 GLN : amide:sc= -12.3! C(o=-12!,f=-9!) USER MOD Single : A 90 MET CE :methyl -179:sc= -6.77! (180deg=-6.79!) USER MOD Single : A 91 THR OG1 : rot -150:sc= -1.81! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.746 -10.923 -9.181 1.00 0.00 N ATOM 2 CA SER A 1 3.033 -9.562 -9.721 1.00 0.00 C ATOM 3 C SER A 1 4.271 -8.973 -9.041 1.00 0.00 C ATOM 4 O SER A 1 4.560 -9.262 -7.897 1.00 0.00 O ATOM 5 CB SER A 1 1.801 -8.720 -9.381 1.00 0.00 C ATOM 6 OG SER A 1 0.809 -9.547 -8.785 1.00 0.00 O ATOM 0 H1 SER A 1 1.720 -11.035 -9.049 1.00 0.00 H new ATOM 0 H2 SER A 1 3.090 -11.641 -9.850 1.00 0.00 H new ATOM 0 H3 SER A 1 3.227 -11.042 -8.267 1.00 0.00 H new ATOM 0 HA SER A 1 3.229 -9.586 -10.793 1.00 0.00 H new ATOM 0 HB2 SER A 1 2.075 -7.915 -8.700 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.406 -8.254 -10.284 1.00 0.00 H new ATOM 0 HG SER A 1 -0.056 -9.383 -9.216 1.00 0.00 H new ATOM 14 N LYS A 2 4.997 -8.142 -9.734 1.00 0.00 N ATOM 15 CA LYS A 2 6.208 -7.524 -9.125 1.00 0.00 C ATOM 16 C LYS A 2 5.793 -6.338 -8.254 1.00 0.00 C ATOM 17 O LYS A 2 5.265 -5.359 -8.743 1.00 0.00 O ATOM 18 CB LYS A 2 7.042 -7.042 -10.310 1.00 0.00 C ATOM 19 CG LYS A 2 8.512 -6.944 -9.897 1.00 0.00 C ATOM 20 CD LYS A 2 9.404 -7.150 -11.123 1.00 0.00 C ATOM 21 CE LYS A 2 9.040 -6.122 -12.197 1.00 0.00 C ATOM 22 NZ LYS A 2 10.028 -5.021 -12.023 1.00 0.00 N ATOM 0 H LYS A 2 4.805 -7.864 -10.696 1.00 0.00 H new ATOM 0 HA LYS A 2 6.761 -8.219 -8.493 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.934 -7.731 -11.148 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.683 -6.070 -10.649 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.710 -5.970 -9.450 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.738 -7.695 -9.140 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.453 -7.045 -10.845 1.00 0.00 H new ATOM 0 HD3 LYS A 2 9.277 -8.160 -11.513 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.102 -6.555 -13.195 1.00 0.00 H new ATOM 0 HE3 LYS A 2 8.019 -5.761 -12.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 9.844 -4.276 -12.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 9.941 -4.624 -11.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 10.990 -5.393 -12.157 1.00 0.00 H new ATOM 36 N VAL A 3 6.015 -6.409 -6.970 1.00 0.00 N ATOM 37 CA VAL A 3 5.608 -5.267 -6.102 1.00 0.00 C ATOM 38 C VAL A 3 6.830 -4.520 -5.572 1.00 0.00 C ATOM 39 O VAL A 3 7.803 -5.105 -5.152 1.00 0.00 O ATOM 40 CB VAL A 3 4.799 -5.890 -4.965 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.809 -4.964 -3.748 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.359 -6.080 -5.430 1.00 0.00 C ATOM 0 H VAL A 3 6.453 -7.195 -6.490 1.00 0.00 H new ATOM 0 HA VAL A 3 5.022 -4.529 -6.650 1.00 0.00 H new ATOM 0 HB VAL A 3 5.240 -6.849 -4.692 1.00 0.00 H new ATOM 0 HG11 VAL A 3 4.230 -5.416 -2.942 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.836 -4.811 -3.416 1.00 0.00 H new ATOM 0 HG13 VAL A 3 4.368 -4.004 -4.017 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.773 -6.524 -4.626 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.933 -5.113 -5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.341 -6.738 -6.299 1.00 0.00 H new ATOM 52 N VAL A 4 6.767 -3.222 -5.580 1.00 0.00 N ATOM 53 CA VAL A 4 7.905 -2.411 -5.060 1.00 0.00 C ATOM 54 C VAL A 4 7.369 -1.346 -4.111 1.00 0.00 C ATOM 55 O VAL A 4 6.449 -0.621 -4.429 1.00 0.00 O ATOM 56 CB VAL A 4 8.566 -1.796 -6.288 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.336 -0.532 -5.896 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.534 -2.808 -6.903 1.00 0.00 C ATOM 0 H VAL A 4 5.974 -2.682 -5.925 1.00 0.00 H new ATOM 0 HA VAL A 4 8.627 -3.003 -4.497 1.00 0.00 H new ATOM 0 HB VAL A 4 7.795 -1.533 -7.012 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.804 -0.102 -6.781 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.648 0.193 -5.461 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.105 -0.786 -5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 4 10.008 -2.370 -7.782 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.298 -3.071 -6.172 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.987 -3.704 -7.195 1.00 0.00 H new ATOM 68 N TYR A 5 7.924 -1.267 -2.943 1.00 0.00 N ATOM 69 CA TYR A 5 7.436 -0.279 -1.950 1.00 0.00 C ATOM 70 C TYR A 5 8.365 0.902 -1.810 1.00 0.00 C ATOM 71 O TYR A 5 9.565 0.779 -1.906 1.00 0.00 O ATOM 72 CB TYR A 5 7.412 -1.043 -0.645 1.00 0.00 C ATOM 73 CG TYR A 5 6.409 -2.134 -0.771 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.063 -1.797 -0.864 1.00 0.00 C ATOM 75 CD2 TYR A 5 6.806 -3.475 -0.801 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.103 -2.790 -0.989 1.00 0.00 C ATOM 77 CE2 TYR A 5 5.848 -4.467 -0.922 1.00 0.00 C ATOM 78 CZ TYR A 5 4.490 -4.134 -1.018 1.00 0.00 C ATOM 79 OH TYR A 5 3.541 -5.125 -1.152 1.00 0.00 O ATOM 0 H TYR A 5 8.701 -1.848 -2.629 1.00 0.00 H new ATOM 0 HA TYR A 5 6.469 0.126 -2.248 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.397 -1.454 -0.426 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.153 -0.380 0.180 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.765 -0.759 -0.839 1.00 0.00 H new ATOM 0 HD2 TYR A 5 7.852 -3.734 -0.730 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.058 -2.526 -1.064 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.149 -5.504 -0.943 1.00 0.00 H new ATOM 0 HH TYR A 5 3.588 -5.729 -0.382 1.00 0.00 H new ATOM 89 N VAL A 6 7.811 2.042 -1.546 1.00 0.00 N ATOM 90 CA VAL A 6 8.678 3.242 -1.349 1.00 0.00 C ATOM 91 C VAL A 6 8.448 3.834 0.031 1.00 0.00 C ATOM 92 O VAL A 6 7.329 4.029 0.448 1.00 0.00 O ATOM 93 CB VAL A 6 8.281 4.241 -2.424 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.350 5.335 -2.526 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.174 3.509 -3.747 1.00 0.00 C ATOM 0 H VAL A 6 6.808 2.203 -1.457 1.00 0.00 H new ATOM 0 HA VAL A 6 9.734 2.983 -1.423 1.00 0.00 H new ATOM 0 HB VAL A 6 7.325 4.700 -2.174 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.065 6.051 -3.297 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.438 5.848 -1.568 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.308 4.885 -2.785 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.890 4.212 -4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.137 3.061 -3.994 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.419 2.727 -3.670 1.00 0.00 H new ATOM 105 N SER A 7 9.489 4.148 0.735 1.00 0.00 N ATOM 106 CA SER A 7 9.299 4.755 2.071 1.00 0.00 C ATOM 107 C SER A 7 8.984 6.236 1.882 1.00 0.00 C ATOM 108 O SER A 7 8.471 6.641 0.858 1.00 0.00 O ATOM 109 CB SER A 7 10.634 4.570 2.794 1.00 0.00 C ATOM 110 OG SER A 7 11.679 5.159 2.026 1.00 0.00 O ATOM 0 H SER A 7 10.458 4.012 0.446 1.00 0.00 H new ATOM 0 HA SER A 7 8.485 4.305 2.639 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.591 5.030 3.781 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.833 3.509 2.945 1.00 0.00 H new ATOM 0 HG SER A 7 12.347 5.550 2.628 1.00 0.00 H new ATOM 116 N HIS A 8 9.305 7.050 2.835 1.00 0.00 N ATOM 117 CA HIS A 8 9.042 8.508 2.675 1.00 0.00 C ATOM 118 C HIS A 8 10.380 9.233 2.520 1.00 0.00 C ATOM 119 O HIS A 8 10.437 10.390 2.155 1.00 0.00 O ATOM 120 CB HIS A 8 8.278 8.965 3.933 1.00 0.00 C ATOM 121 CG HIS A 8 8.509 8.020 5.071 1.00 0.00 C ATOM 122 ND1 HIS A 8 7.540 7.133 5.457 1.00 0.00 N ATOM 123 CD2 HIS A 8 9.580 7.802 5.899 1.00 0.00 C ATOM 124 CE1 HIS A 8 8.027 6.411 6.483 1.00 0.00 C ATOM 125 NE2 HIS A 8 9.274 6.780 6.794 1.00 0.00 N ATOM 0 H HIS A 8 9.737 6.777 3.718 1.00 0.00 H new ATOM 0 HA HIS A 8 8.445 8.732 1.791 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.601 9.967 4.216 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.212 9.024 3.715 1.00 0.00 H new ATOM 0 HD2 HIS A 8 10.516 8.340 5.863 1.00 0.00 H new ATOM 0 HE1 HIS A 8 7.479 5.631 6.991 1.00 0.00 H new ATOM 0 HE2 HIS A 8 9.871 6.397 7.527 1.00 0.00 H new ATOM 133 N ASP A 9 11.462 8.537 2.764 1.00 0.00 N ATOM 134 CA ASP A 9 12.807 9.153 2.602 1.00 0.00 C ATOM 135 C ASP A 9 13.412 8.709 1.263 1.00 0.00 C ATOM 136 O ASP A 9 14.535 9.037 0.937 1.00 0.00 O ATOM 137 CB ASP A 9 13.636 8.629 3.778 1.00 0.00 C ATOM 138 CG ASP A 9 14.030 7.172 3.526 1.00 0.00 C ATOM 139 OD1 ASP A 9 13.427 6.556 2.663 1.00 0.00 O ATOM 140 OD2 ASP A 9 14.928 6.697 4.201 1.00 0.00 O ATOM 0 H ASP A 9 11.468 7.564 3.070 1.00 0.00 H new ATOM 0 HA ASP A 9 12.774 10.242 2.597 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.530 9.240 3.906 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.063 8.706 4.702 1.00 0.00 H new ATOM 145 N GLY A 10 12.666 7.965 0.481 1.00 0.00 N ATOM 146 CA GLY A 10 13.186 7.501 -0.838 1.00 0.00 C ATOM 147 C GLY A 10 13.431 5.986 -0.819 1.00 0.00 C ATOM 148 O GLY A 10 13.170 5.301 -1.788 1.00 0.00 O ATOM 0 H GLY A 10 11.718 7.660 0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.473 7.750 -1.624 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.114 8.022 -1.073 1.00 0.00 H new ATOM 152 N THR A 11 13.933 5.453 0.263 1.00 0.00 N ATOM 153 CA THR A 11 14.190 3.992 0.320 1.00 0.00 C ATOM 154 C THR A 11 12.950 3.226 -0.136 1.00 0.00 C ATOM 155 O THR A 11 11.830 3.561 0.197 1.00 0.00 O ATOM 156 CB THR A 11 14.556 3.704 1.788 1.00 0.00 C ATOM 157 OG1 THR A 11 15.773 2.973 1.829 1.00 0.00 O ATOM 158 CG2 THR A 11 13.460 2.892 2.492 1.00 0.00 C ATOM 0 H THR A 11 14.175 5.970 1.108 1.00 0.00 H new ATOM 0 HA THR A 11 14.994 3.674 -0.343 1.00 0.00 H new ATOM 0 HB THR A 11 14.661 4.657 2.306 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.012 2.788 2.761 1.00 0.00 H new ATOM 0 HG21 THR A 11 13.752 2.707 3.526 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.524 3.451 2.473 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.325 1.941 1.977 1.00 0.00 H new ATOM 166 N ARG A 12 13.158 2.211 -0.906 1.00 0.00 N ATOM 167 CA ARG A 12 12.011 1.402 -1.417 1.00 0.00 C ATOM 168 C ARG A 12 12.243 -0.102 -1.185 1.00 0.00 C ATOM 169 O ARG A 12 13.349 -0.541 -0.935 1.00 0.00 O ATOM 170 CB ARG A 12 11.959 1.700 -2.916 1.00 0.00 C ATOM 171 CG ARG A 12 12.100 3.206 -3.144 1.00 0.00 C ATOM 172 CD ARG A 12 11.834 3.528 -4.616 1.00 0.00 C ATOM 173 NE ARG A 12 11.926 5.012 -4.707 1.00 0.00 N ATOM 174 CZ ARG A 12 11.248 5.652 -5.620 1.00 0.00 C ATOM 175 NH1 ARG A 12 10.024 5.295 -5.895 1.00 0.00 N ATOM 176 NH2 ARG A 12 11.795 6.651 -6.258 1.00 0.00 N ATOM 0 H ARG A 12 14.078 1.896 -1.212 1.00 0.00 H new ATOM 0 HA ARG A 12 11.082 1.655 -0.905 1.00 0.00 H new ATOM 0 HB2 ARG A 12 12.759 1.167 -3.431 1.00 0.00 H new ATOM 0 HB3 ARG A 12 11.018 1.345 -3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.398 3.748 -2.510 1.00 0.00 H new ATOM 0 HG3 ARG A 12 13.101 3.534 -2.864 1.00 0.00 H new ATOM 0 HD2 ARG A 12 12.566 3.046 -5.264 1.00 0.00 H new ATOM 0 HD3 ARG A 12 10.851 3.173 -4.927 1.00 0.00 H new ATOM 0 HE ARG A 12 12.519 5.527 -4.056 1.00 0.00 H new ATOM 0 HH11 ARG A 12 9.596 4.515 -5.396 1.00 0.00 H new ATOM 0 HH12 ARG A 12 9.495 5.796 -6.609 1.00 0.00 H new ATOM 0 HH21 ARG A 12 12.752 6.931 -6.043 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.265 7.152 -6.972 1.00 0.00 H new ATOM 190 N ARG A 13 11.204 -0.893 -1.289 1.00 0.00 N ATOM 191 CA ARG A 13 11.342 -2.372 -1.101 1.00 0.00 C ATOM 192 C ARG A 13 10.715 -3.091 -2.302 1.00 0.00 C ATOM 193 O ARG A 13 9.934 -2.518 -3.026 1.00 0.00 O ATOM 194 CB ARG A 13 10.559 -2.697 0.176 1.00 0.00 C ATOM 195 CG ARG A 13 11.009 -4.049 0.732 1.00 0.00 C ATOM 196 CD ARG A 13 11.492 -3.884 2.177 1.00 0.00 C ATOM 197 NE ARG A 13 10.507 -2.971 2.823 1.00 0.00 N ATOM 198 CZ ARG A 13 10.884 -1.792 3.238 1.00 0.00 C ATOM 199 NH1 ARG A 13 12.063 -1.635 3.773 1.00 0.00 N ATOM 200 NH2 ARG A 13 10.081 -0.770 3.116 1.00 0.00 N ATOM 0 H ARG A 13 10.258 -0.575 -1.498 1.00 0.00 H new ATOM 0 HA ARG A 13 12.382 -2.688 -1.023 1.00 0.00 H new ATOM 0 HB2 ARG A 13 10.719 -1.916 0.920 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.490 -2.719 -0.038 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.184 -4.760 0.694 1.00 0.00 H new ATOM 0 HG3 ARG A 13 11.810 -4.457 0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.532 -4.845 2.690 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.497 -3.464 2.209 1.00 0.00 H new ATOM 0 HE ARG A 13 9.538 -3.267 2.941 1.00 0.00 H new ATOM 0 HH11 ARG A 13 12.691 -2.433 3.867 1.00 0.00 H new ATOM 0 HH12 ARG A 13 12.357 -0.714 4.097 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.159 -0.893 2.697 1.00 0.00 H new ATOM 0 HH22 ARG A 13 10.375 0.151 3.440 1.00 0.00 H new ATOM 214 N GLU A 14 11.046 -4.330 -2.529 1.00 0.00 N ATOM 215 CA GLU A 14 10.441 -5.044 -3.693 1.00 0.00 C ATOM 216 C GLU A 14 9.894 -6.411 -3.270 1.00 0.00 C ATOM 217 O GLU A 14 10.502 -7.122 -2.494 1.00 0.00 O ATOM 218 CB GLU A 14 11.585 -5.209 -4.696 1.00 0.00 C ATOM 219 CG GLU A 14 12.169 -3.836 -5.034 1.00 0.00 C ATOM 220 CD GLU A 14 13.593 -3.738 -4.485 1.00 0.00 C ATOM 221 OE1 GLU A 14 14.334 -4.695 -4.639 1.00 0.00 O ATOM 222 OE2 GLU A 14 13.918 -2.708 -3.918 1.00 0.00 O ATOM 0 H GLU A 14 11.700 -4.876 -1.969 1.00 0.00 H new ATOM 0 HA GLU A 14 9.601 -4.493 -4.115 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.359 -5.852 -4.278 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.222 -5.694 -5.602 1.00 0.00 H new ATOM 0 HG2 GLU A 14 12.173 -3.687 -6.114 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.548 -3.049 -4.606 1.00 0.00 H new ATOM 229 N LEU A 15 8.752 -6.786 -3.780 1.00 0.00 N ATOM 230 CA LEU A 15 8.169 -8.107 -3.416 1.00 0.00 C ATOM 231 C LEU A 15 7.806 -8.908 -4.656 1.00 0.00 C ATOM 232 O LEU A 15 7.328 -8.382 -5.641 1.00 0.00 O ATOM 233 CB LEU A 15 6.878 -7.806 -2.651 1.00 0.00 C ATOM 234 CG LEU A 15 7.174 -7.470 -1.194 1.00 0.00 C ATOM 235 CD1 LEU A 15 5.892 -7.507 -0.384 1.00 0.00 C ATOM 236 CD2 LEU A 15 8.060 -8.498 -0.570 1.00 0.00 C ATOM 0 H LEU A 15 8.198 -6.233 -4.434 1.00 0.00 H new ATOM 0 HA LEU A 15 8.887 -8.685 -2.834 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.358 -6.972 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.212 -8.667 -2.702 1.00 0.00 H new ATOM 0 HG LEU A 15 7.644 -6.487 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.112 -7.266 0.656 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.187 -6.778 -0.784 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.454 -8.504 -0.441 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.253 -8.230 0.469 1.00 0.00 H new ATOM 0 HD22 LEU A 15 7.571 -9.472 -0.609 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.004 -8.544 -1.114 1.00 0.00 H new ATOM 248 N ASP A 16 7.969 -10.189 -4.577 1.00 0.00 N ATOM 249 CA ASP A 16 7.569 -11.059 -5.705 1.00 0.00 C ATOM 250 C ASP A 16 6.276 -11.737 -5.272 1.00 0.00 C ATOM 251 O ASP A 16 6.280 -12.818 -4.719 1.00 0.00 O ATOM 252 CB ASP A 16 8.702 -12.071 -5.877 1.00 0.00 C ATOM 253 CG ASP A 16 10.049 -11.349 -5.798 1.00 0.00 C ATOM 254 OD1 ASP A 16 10.284 -10.484 -6.627 1.00 0.00 O ATOM 255 OD2 ASP A 16 10.822 -11.673 -4.912 1.00 0.00 O ATOM 0 H ASP A 16 8.365 -10.676 -3.773 1.00 0.00 H new ATOM 0 HA ASP A 16 7.405 -10.536 -6.647 1.00 0.00 H new ATOM 0 HB2 ASP A 16 8.641 -12.836 -5.102 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.606 -12.580 -6.836 1.00 0.00 H new ATOM 260 N VAL A 17 5.177 -11.070 -5.456 1.00 0.00 N ATOM 261 CA VAL A 17 3.882 -11.624 -4.988 1.00 0.00 C ATOM 262 C VAL A 17 3.116 -12.294 -6.125 1.00 0.00 C ATOM 263 O VAL A 17 3.502 -12.235 -7.276 1.00 0.00 O ATOM 264 CB VAL A 17 3.132 -10.397 -4.471 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.645 -10.708 -4.361 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.673 -10.018 -3.090 1.00 0.00 C ATOM 0 H VAL A 17 5.119 -10.160 -5.913 1.00 0.00 H new ATOM 0 HA VAL A 17 4.008 -12.397 -4.230 1.00 0.00 H new ATOM 0 HB VAL A 17 3.276 -9.569 -5.165 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.116 -9.829 -3.992 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.257 -10.980 -5.342 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.497 -11.538 -3.670 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.140 -9.143 -2.718 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.528 -10.851 -2.402 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.736 -9.790 -3.166 1.00 0.00 H new ATOM 276 N ALA A 18 2.035 -12.950 -5.798 1.00 0.00 N ATOM 277 CA ALA A 18 1.242 -13.650 -6.855 1.00 0.00 C ATOM 278 C ALA A 18 -0.212 -13.174 -6.874 1.00 0.00 C ATOM 279 O ALA A 18 -0.542 -12.106 -6.400 1.00 0.00 O ATOM 280 CB ALA A 18 1.300 -15.129 -6.479 1.00 0.00 C ATOM 0 H ALA A 18 1.667 -13.033 -4.850 1.00 0.00 H new ATOM 0 HA ALA A 18 1.645 -13.450 -7.848 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.739 -15.712 -7.209 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.338 -15.461 -6.469 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.864 -15.270 -5.490 1.00 0.00 H new ATOM 286 N ASP A 19 -1.080 -13.977 -7.433 1.00 0.00 N ATOM 287 CA ASP A 19 -2.515 -13.618 -7.520 1.00 0.00 C ATOM 288 C ASP A 19 -3.251 -14.059 -6.252 1.00 0.00 C ATOM 289 O ASP A 19 -3.206 -15.208 -5.858 1.00 0.00 O ATOM 290 CB ASP A 19 -3.008 -14.378 -8.758 1.00 0.00 C ATOM 291 CG ASP A 19 -3.568 -15.752 -8.366 1.00 0.00 C ATOM 292 OD1 ASP A 19 -2.775 -16.639 -8.099 1.00 0.00 O ATOM 293 OD2 ASP A 19 -4.781 -15.890 -8.341 1.00 0.00 O ATOM 0 H ASP A 19 -0.844 -14.882 -7.839 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.689 -12.545 -7.604 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -3.779 -13.797 -9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.187 -14.503 -9.465 1.00 0.00 H new ATOM 298 N GLY A 20 -3.923 -13.151 -5.618 1.00 0.00 N ATOM 299 CA GLY A 20 -4.667 -13.495 -4.374 1.00 0.00 C ATOM 300 C GLY A 20 -3.973 -12.846 -3.175 1.00 0.00 C ATOM 301 O GLY A 20 -4.448 -12.909 -2.059 1.00 0.00 O ATOM 0 H GLY A 20 -3.993 -12.175 -5.906 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.698 -13.147 -4.445 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.704 -14.577 -4.246 1.00 0.00 H new ATOM 305 N VAL A 21 -2.850 -12.224 -3.401 1.00 0.00 N ATOM 306 CA VAL A 21 -2.116 -11.567 -2.284 1.00 0.00 C ATOM 307 C VAL A 21 -2.343 -10.051 -2.316 1.00 0.00 C ATOM 308 O VAL A 21 -2.878 -9.492 -3.252 1.00 0.00 O ATOM 309 CB VAL A 21 -0.631 -11.879 -2.550 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.238 -10.810 -1.931 1.00 0.00 C ATOM 311 CG2 VAL A 21 -0.242 -13.229 -1.939 1.00 0.00 C ATOM 0 H VAL A 21 -2.407 -12.142 -4.316 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.450 -11.923 -1.309 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.483 -11.911 -3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.287 -11.037 -2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.009 -9.842 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.065 -10.778 -0.855 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.811 -13.429 -2.139 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.408 -13.202 -0.862 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.851 -14.017 -2.381 1.00 0.00 H new ATOM 321 N SER A 22 -1.880 -9.404 -1.296 1.00 0.00 N ATOM 322 CA SER A 22 -1.969 -7.921 -1.190 1.00 0.00 C ATOM 323 C SER A 22 -0.545 -7.365 -1.125 1.00 0.00 C ATOM 324 O SER A 22 0.411 -8.088 -1.328 1.00 0.00 O ATOM 325 CB SER A 22 -2.697 -7.651 0.126 1.00 0.00 C ATOM 326 OG SER A 22 -3.022 -8.884 0.755 1.00 0.00 O ATOM 0 H SER A 22 -1.426 -9.853 -0.500 1.00 0.00 H new ATOM 0 HA SER A 22 -2.488 -7.461 -2.031 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.069 -7.050 0.784 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.604 -7.076 -0.060 1.00 0.00 H new ATOM 0 HG SER A 22 -3.487 -8.708 1.599 1.00 0.00 H new ATOM 332 N LEU A 23 -0.373 -6.105 -0.826 1.00 0.00 N ATOM 333 CA LEU A 23 1.019 -5.581 -0.742 1.00 0.00 C ATOM 334 C LEU A 23 1.563 -5.781 0.669 1.00 0.00 C ATOM 335 O LEU A 23 2.742 -5.648 0.910 1.00 0.00 O ATOM 336 CB LEU A 23 0.964 -4.084 -1.068 1.00 0.00 C ATOM 337 CG LEU A 23 0.377 -3.869 -2.463 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.665 -2.439 -2.920 1.00 0.00 C ATOM 339 CD2 LEU A 23 1.024 -4.850 -3.441 1.00 0.00 C ATOM 0 H LEU A 23 -1.116 -5.431 -0.641 1.00 0.00 H new ATOM 0 HA LEU A 23 1.672 -6.106 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.357 -3.565 -0.326 1.00 0.00 H new ATOM 0 HB3 LEU A 23 1.965 -3.656 -1.017 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.700 -4.035 -2.435 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.247 -2.284 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.211 -1.736 -2.222 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.742 -2.277 -2.950 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.607 -4.699 -4.437 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.100 -4.680 -3.468 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.826 -5.871 -3.116 1.00 0.00 H new ATOM 351 N MET A 24 0.719 -6.080 1.614 1.00 0.00 N ATOM 352 CA MET A 24 1.221 -6.257 3.001 1.00 0.00 C ATOM 353 C MET A 24 1.603 -7.704 3.299 1.00 0.00 C ATOM 354 O MET A 24 2.747 -8.020 3.552 1.00 0.00 O ATOM 355 CB MET A 24 0.083 -5.823 3.911 1.00 0.00 C ATOM 356 CG MET A 24 0.659 -4.978 5.041 1.00 0.00 C ATOM 357 SD MET A 24 -0.612 -4.701 6.291 1.00 0.00 S ATOM 358 CE MET A 24 -0.208 -6.153 7.281 1.00 0.00 C ATOM 0 H MET A 24 -0.285 -6.208 1.488 1.00 0.00 H new ATOM 0 HA MET A 24 2.126 -5.669 3.152 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.654 -5.250 3.348 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.432 -6.695 4.315 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.518 -5.482 5.485 1.00 0.00 H new ATOM 0 HG3 MET A 24 1.015 -4.024 4.651 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.108 -6.517 7.777 1.00 0.00 H new ATOM 0 HE2 MET A 24 0.192 -6.934 6.635 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.537 -5.886 8.031 1.00 0.00 H new ATOM 368 N GLN A 25 0.641 -8.572 3.305 1.00 0.00 N ATOM 369 CA GLN A 25 0.911 -9.998 3.626 1.00 0.00 C ATOM 370 C GLN A 25 2.248 -10.478 2.998 1.00 0.00 C ATOM 371 O GLN A 25 2.876 -11.384 3.507 1.00 0.00 O ATOM 372 CB GLN A 25 -0.326 -10.737 3.057 1.00 0.00 C ATOM 373 CG GLN A 25 0.073 -11.764 2.008 1.00 0.00 C ATOM 374 CD GLN A 25 0.708 -11.025 0.847 1.00 0.00 C ATOM 375 OE1 GLN A 25 1.516 -11.582 0.130 1.00 0.00 O ATOM 376 NE2 GLN A 25 0.388 -9.763 0.630 1.00 0.00 N ATOM 0 H GLN A 25 -0.334 -8.355 3.099 1.00 0.00 H new ATOM 0 HA GLN A 25 1.040 -10.185 4.692 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.860 -11.232 3.868 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -1.013 -10.014 2.617 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.773 -12.486 2.429 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -0.800 -12.324 1.672 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.290 -9.298 1.233 1.00 0.00 H new ATOM 0 HE22 GLN A 25 0.819 -9.253 -0.141 1.00 0.00 H new ATOM 385 N ALA A 26 2.698 -9.882 1.912 1.00 0.00 N ATOM 386 CA ALA A 26 3.994 -10.327 1.310 1.00 0.00 C ATOM 387 C ALA A 26 5.076 -9.454 1.915 1.00 0.00 C ATOM 388 O ALA A 26 6.188 -9.873 2.155 1.00 0.00 O ATOM 389 CB ALA A 26 3.915 -10.068 -0.213 1.00 0.00 C ATOM 0 H ALA A 26 2.229 -9.118 1.426 1.00 0.00 H new ATOM 0 HA ALA A 26 4.200 -11.381 1.496 1.00 0.00 H new ATOM 0 HB1 ALA A 26 4.846 -10.382 -0.684 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.085 -10.635 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 26 3.758 -9.005 -0.394 1.00 0.00 H new ATOM 395 N ALA A 27 4.718 -8.225 2.156 1.00 0.00 N ATOM 396 CA ALA A 27 5.655 -7.237 2.745 1.00 0.00 C ATOM 397 C ALA A 27 5.798 -7.483 4.255 1.00 0.00 C ATOM 398 O ALA A 27 6.885 -7.447 4.796 1.00 0.00 O ATOM 399 CB ALA A 27 4.977 -5.898 2.443 1.00 0.00 C ATOM 0 H ALA A 27 3.787 -7.857 1.962 1.00 0.00 H new ATOM 0 HA ALA A 27 6.667 -7.287 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 27 5.587 -5.085 2.837 1.00 0.00 H new ATOM 0 HB2 ALA A 27 4.867 -5.781 1.365 1.00 0.00 H new ATOM 0 HB3 ALA A 27 3.993 -5.874 2.912 1.00 0.00 H new ATOM 405 N VAL A 28 4.717 -7.763 4.938 1.00 0.00 N ATOM 406 CA VAL A 28 4.820 -8.038 6.404 1.00 0.00 C ATOM 407 C VAL A 28 5.825 -9.164 6.613 1.00 0.00 C ATOM 408 O VAL A 28 6.849 -8.990 7.240 1.00 0.00 O ATOM 409 CB VAL A 28 3.423 -8.476 6.838 1.00 0.00 C ATOM 410 CG1 VAL A 28 3.425 -8.783 8.335 1.00 0.00 C ATOM 411 CG2 VAL A 28 2.426 -7.354 6.549 1.00 0.00 C ATOM 0 H VAL A 28 3.775 -7.813 4.549 1.00 0.00 H new ATOM 0 HA VAL A 28 5.153 -7.173 6.978 1.00 0.00 H new ATOM 0 HB VAL A 28 3.135 -9.371 6.286 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.427 -9.095 8.644 1.00 0.00 H new ATOM 0 HG12 VAL A 28 4.136 -9.583 8.541 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.713 -7.890 8.889 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.428 -7.665 6.858 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.715 -6.460 7.101 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.423 -7.136 5.481 1.00 0.00 H new ATOM 421 N SER A 29 5.556 -10.308 6.054 1.00 0.00 N ATOM 422 CA SER A 29 6.518 -11.433 6.175 1.00 0.00 C ATOM 423 C SER A 29 7.888 -10.930 5.758 1.00 0.00 C ATOM 424 O SER A 29 8.904 -11.260 6.336 1.00 0.00 O ATOM 425 CB SER A 29 6.055 -12.464 5.168 1.00 0.00 C ATOM 426 OG SER A 29 4.869 -12.010 4.527 1.00 0.00 O ATOM 0 H SER A 29 4.712 -10.512 5.519 1.00 0.00 H new ATOM 0 HA SER A 29 6.568 -11.837 7.186 1.00 0.00 H new ATOM 0 HB2 SER A 29 6.836 -12.639 4.428 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.869 -13.415 5.667 1.00 0.00 H new ATOM 0 HG SER A 29 4.146 -12.652 4.685 1.00 0.00 H new ATOM 432 N ASN A 30 7.897 -10.102 4.753 1.00 0.00 N ATOM 433 CA ASN A 30 9.165 -9.515 4.258 1.00 0.00 C ATOM 434 C ASN A 30 9.699 -8.512 5.282 1.00 0.00 C ATOM 435 O ASN A 30 10.721 -7.885 5.087 1.00 0.00 O ATOM 436 CB ASN A 30 8.753 -8.824 2.960 1.00 0.00 C ATOM 437 CG ASN A 30 9.204 -9.683 1.780 1.00 0.00 C ATOM 438 OD1 ASN A 30 10.349 -9.638 1.379 1.00 0.00 O ATOM 439 ND2 ASN A 30 8.337 -10.468 1.204 1.00 0.00 N ATOM 0 H ASN A 30 7.063 -9.804 4.247 1.00 0.00 H new ATOM 0 HA ASN A 30 9.960 -10.244 4.101 1.00 0.00 H new ATOM 0 HB2 ASN A 30 7.672 -8.684 2.934 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.204 -7.834 2.900 1.00 0.00 H new ATOM 0 HD21 ASN A 30 8.620 -11.047 0.413 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.376 -10.503 1.544 1.00 0.00 H new ATOM 446 N GLY A 31 9.008 -8.369 6.381 1.00 0.00 N ATOM 447 CA GLY A 31 9.461 -7.418 7.440 1.00 0.00 C ATOM 448 C GLY A 31 8.974 -6.005 7.121 1.00 0.00 C ATOM 449 O GLY A 31 8.972 -5.141 7.975 1.00 0.00 O ATOM 0 H GLY A 31 8.146 -8.871 6.593 1.00 0.00 H new ATOM 0 HA2 GLY A 31 9.077 -7.733 8.410 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.549 -7.429 7.508 1.00 0.00 H new ATOM 453 N ILE A 32 8.550 -5.762 5.905 1.00 0.00 N ATOM 454 CA ILE A 32 8.045 -4.401 5.547 1.00 0.00 C ATOM 455 C ILE A 32 7.185 -3.890 6.710 1.00 0.00 C ATOM 456 O ILE A 32 7.325 -2.770 7.162 1.00 0.00 O ATOM 457 CB ILE A 32 7.241 -4.623 4.266 1.00 0.00 C ATOM 458 CG1 ILE A 32 8.138 -5.371 3.251 1.00 0.00 C ATOM 459 CG2 ILE A 32 6.780 -3.275 3.691 1.00 0.00 C ATOM 460 CD1 ILE A 32 7.911 -4.870 1.816 1.00 0.00 C ATOM 0 H ILE A 32 8.532 -6.445 5.148 1.00 0.00 H new ATOM 0 HA ILE A 32 8.820 -3.653 5.382 1.00 0.00 H new ATOM 0 HB ILE A 32 6.353 -5.218 4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 32 9.185 -5.236 3.522 1.00 0.00 H new ATOM 0 HG13 ILE A 32 7.931 -6.440 3.301 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.208 -3.445 2.779 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.154 -2.763 4.422 1.00 0.00 H new ATOM 0 HG23 ILE A 32 7.650 -2.659 3.464 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.559 -5.419 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 32 6.870 -5.029 1.536 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.144 -3.807 1.761 1.00 0.00 H new ATOM 472 N TYR A 33 6.365 -4.750 7.255 1.00 0.00 N ATOM 473 CA TYR A 33 5.563 -4.380 8.465 1.00 0.00 C ATOM 474 C TYR A 33 5.059 -5.639 9.153 1.00 0.00 C ATOM 475 O TYR A 33 4.070 -6.215 8.746 1.00 0.00 O ATOM 476 CB TYR A 33 4.335 -3.544 8.064 1.00 0.00 C ATOM 477 CG TYR A 33 4.049 -3.601 6.606 1.00 0.00 C ATOM 478 CD1 TYR A 33 3.919 -4.839 6.009 1.00 0.00 C ATOM 479 CD2 TYR A 33 3.841 -2.425 5.866 1.00 0.00 C ATOM 480 CE1 TYR A 33 3.593 -4.935 4.673 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.502 -2.511 4.509 1.00 0.00 C ATOM 482 CZ TYR A 33 3.378 -3.772 3.907 1.00 0.00 C ATOM 483 OH TYR A 33 3.046 -3.872 2.571 1.00 0.00 O ATOM 0 H TYR A 33 6.214 -5.699 6.914 1.00 0.00 H new ATOM 0 HA TYR A 33 6.206 -3.805 9.131 1.00 0.00 H new ATOM 0 HB2 TYR A 33 3.464 -3.900 8.614 1.00 0.00 H new ATOM 0 HB3 TYR A 33 4.496 -2.507 8.358 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.073 -5.736 6.591 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.942 -1.460 6.340 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.502 -5.907 4.211 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.337 -1.614 3.931 1.00 0.00 H new ATOM 0 HH TYR A 33 2.933 -2.975 2.194 1.00 0.00 H new ATOM 559 N CYS A 39 -4.807 -5.484 10.954 1.00 0.00 N ATOM 560 CA CYS A 39 -5.247 -5.844 9.569 1.00 0.00 C ATOM 561 C CYS A 39 -4.974 -7.320 9.276 1.00 0.00 C ATOM 562 O CYS A 39 -5.832 -8.027 8.788 1.00 0.00 O ATOM 563 CB CYS A 39 -4.434 -4.936 8.653 1.00 0.00 C ATOM 564 SG CYS A 39 -2.705 -4.878 9.194 1.00 0.00 S ATOM 0 HA CYS A 39 -6.319 -5.706 9.428 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.489 -5.300 7.627 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.857 -3.931 8.657 1.00 0.00 H new ATOM 0 HG CYS A 39 -1.951 -4.517 8.199 1.00 0.00 H new ATOM 569 N GLY A 40 -3.791 -7.795 9.565 1.00 0.00 N ATOM 570 CA GLY A 40 -3.483 -9.225 9.285 1.00 0.00 C ATOM 571 C GLY A 40 -4.008 -9.571 7.894 1.00 0.00 C ATOM 572 O GLY A 40 -4.507 -10.652 7.654 1.00 0.00 O ATOM 0 H GLY A 40 -3.030 -7.257 9.980 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.408 -9.398 9.338 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.946 -9.866 10.035 1.00 0.00 H new ATOM 576 N GLY A 41 -3.913 -8.645 6.979 1.00 0.00 N ATOM 577 CA GLY A 41 -4.420 -8.897 5.604 1.00 0.00 C ATOM 578 C GLY A 41 -5.937 -8.703 5.592 1.00 0.00 C ATOM 579 O GLY A 41 -6.644 -9.306 4.810 1.00 0.00 O ATOM 0 H GLY A 41 -3.504 -7.722 7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.947 -8.215 4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.167 -9.909 5.289 1.00 0.00 H new ATOM 583 N SER A 42 -6.443 -7.865 6.459 1.00 0.00 N ATOM 584 CA SER A 42 -7.917 -7.639 6.499 1.00 0.00 C ATOM 585 C SER A 42 -8.242 -6.154 6.345 1.00 0.00 C ATOM 586 O SER A 42 -9.370 -5.783 6.084 1.00 0.00 O ATOM 587 CB SER A 42 -8.368 -8.157 7.863 1.00 0.00 C ATOM 588 OG SER A 42 -7.777 -9.427 8.103 1.00 0.00 O ATOM 0 H SER A 42 -5.902 -7.330 7.138 1.00 0.00 H new ATOM 0 HA SER A 42 -8.428 -8.151 5.684 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.079 -7.455 8.645 1.00 0.00 H new ATOM 0 HB3 SER A 42 -9.455 -8.237 7.893 1.00 0.00 H new ATOM 0 HG SER A 42 -6.962 -9.313 8.635 1.00 0.00 H new ATOM 594 N ALA A 43 -7.259 -5.307 6.481 1.00 0.00 N ATOM 595 CA ALA A 43 -7.484 -3.838 6.316 1.00 0.00 C ATOM 596 C ALA A 43 -8.190 -3.212 7.516 1.00 0.00 C ATOM 597 O ALA A 43 -9.199 -2.548 7.390 1.00 0.00 O ATOM 598 CB ALA A 43 -8.339 -3.694 5.076 1.00 0.00 C ATOM 0 H ALA A 43 -6.299 -5.570 6.702 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.529 -3.319 6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.543 -2.639 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.811 -4.113 4.219 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.280 -4.226 5.219 1.00 0.00 H new ATOM 604 N SER A 44 -7.640 -3.383 8.665 1.00 0.00 N ATOM 605 CA SER A 44 -8.208 -2.749 9.883 1.00 0.00 C ATOM 606 C SER A 44 -7.030 -2.094 10.606 1.00 0.00 C ATOM 607 O SER A 44 -6.910 -2.132 11.814 1.00 0.00 O ATOM 608 CB SER A 44 -8.832 -3.889 10.691 1.00 0.00 C ATOM 609 OG SER A 44 -8.570 -3.699 12.074 1.00 0.00 O ATOM 0 H SER A 44 -6.804 -3.945 8.825 1.00 0.00 H new ATOM 0 HA SER A 44 -8.968 -1.990 9.698 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.907 -3.924 10.517 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.425 -4.845 10.362 1.00 0.00 H new ATOM 0 HG SER A 44 -7.618 -3.503 12.203 1.00 0.00 H new ATOM 615 N CYS A 45 -6.119 -1.550 9.837 1.00 0.00 N ATOM 616 CA CYS A 45 -4.888 -0.951 10.442 1.00 0.00 C ATOM 617 C CYS A 45 -4.811 0.574 10.330 1.00 0.00 C ATOM 618 O CYS A 45 -5.415 1.190 9.490 1.00 0.00 O ATOM 619 CB CYS A 45 -3.701 -1.619 9.723 1.00 0.00 C ATOM 620 SG CYS A 45 -4.059 -1.910 7.971 1.00 0.00 S ATOM 0 H CYS A 45 -6.174 -1.495 8.820 1.00 0.00 H new ATOM 0 HA CYS A 45 -4.886 -1.135 11.516 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.818 -0.987 9.814 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.467 -2.566 10.209 1.00 0.00 H new ATOM 0 HG CYS A 45 -2.950 -2.142 7.334 1.00 0.00 H new ATOM 625 N ALA A 46 -4.051 1.185 11.197 1.00 0.00 N ATOM 626 CA ALA A 46 -3.908 2.668 11.157 1.00 0.00 C ATOM 627 C ALA A 46 -2.486 3.071 10.738 1.00 0.00 C ATOM 628 O ALA A 46 -2.209 4.232 10.507 1.00 0.00 O ATOM 629 CB ALA A 46 -4.185 3.126 12.588 1.00 0.00 C ATOM 0 H ALA A 46 -3.521 0.719 11.934 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.587 3.121 10.434 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.100 4.211 12.646 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.192 2.825 12.878 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.461 2.669 13.263 1.00 0.00 H new ATOM 635 N THR A 47 -1.569 2.137 10.680 1.00 0.00 N ATOM 636 CA THR A 47 -0.162 2.507 10.327 1.00 0.00 C ATOM 637 C THR A 47 0.271 1.995 8.947 1.00 0.00 C ATOM 638 O THR A 47 1.232 2.484 8.388 1.00 0.00 O ATOM 639 CB THR A 47 0.686 1.856 11.415 1.00 0.00 C ATOM 640 OG1 THR A 47 1.991 2.419 11.396 1.00 0.00 O ATOM 641 CG2 THR A 47 0.772 0.349 11.169 1.00 0.00 C ATOM 0 H THR A 47 -1.730 1.146 10.859 1.00 0.00 H new ATOM 0 HA THR A 47 -0.053 3.590 10.274 1.00 0.00 H new ATOM 0 HB THR A 47 0.227 2.034 12.388 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.537 2.003 12.095 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.379 -0.113 11.948 1.00 0.00 H new ATOM 0 HG22 THR A 47 -0.230 -0.080 11.187 1.00 0.00 H new ATOM 0 HG23 THR A 47 1.229 0.165 10.197 1.00 0.00 H new ATOM 649 N CYS A 48 -0.395 1.024 8.384 1.00 0.00 N ATOM 650 CA CYS A 48 0.058 0.537 7.043 1.00 0.00 C ATOM 651 C CYS A 48 -0.440 1.459 5.928 1.00 0.00 C ATOM 652 O CYS A 48 -0.482 1.074 4.781 1.00 0.00 O ATOM 653 CB CYS A 48 -0.493 -0.880 6.847 1.00 0.00 C ATOM 654 SG CYS A 48 -0.627 -1.775 8.410 1.00 0.00 S ATOM 0 H CYS A 48 -1.211 0.556 8.778 1.00 0.00 H new ATOM 0 HA CYS A 48 1.147 0.533 7.000 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.474 -0.826 6.375 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.157 -1.431 6.168 1.00 0.00 H new ATOM 0 HG CYS A 48 -0.666 -3.053 8.176 1.00 0.00 H new ATOM 659 N HIS A 49 -0.797 2.680 6.231 1.00 0.00 N ATOM 660 CA HIS A 49 -1.245 3.588 5.134 1.00 0.00 C ATOM 661 C HIS A 49 -0.211 3.487 4.012 1.00 0.00 C ATOM 662 O HIS A 49 0.971 3.422 4.277 1.00 0.00 O ATOM 663 CB HIS A 49 -1.251 4.990 5.752 1.00 0.00 C ATOM 664 CG HIS A 49 -1.944 5.970 4.837 1.00 0.00 C ATOM 665 ND1 HIS A 49 -2.621 7.074 5.327 1.00 0.00 N ATOM 666 CD2 HIS A 49 -2.058 6.046 3.469 1.00 0.00 C ATOM 667 CE1 HIS A 49 -3.102 7.761 4.275 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.788 7.177 3.119 1.00 0.00 N ATOM 0 H HIS A 49 -0.799 3.081 7.169 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.226 3.345 4.726 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.756 4.966 6.718 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.228 5.317 5.936 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.643 5.334 2.771 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.673 8.674 4.357 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -3.031 7.492 2.180 1.00 0.00 H new ATOM 676 N VAL A 50 -0.616 3.466 2.773 1.00 0.00 N ATOM 677 CA VAL A 50 0.392 3.363 1.693 1.00 0.00 C ATOM 678 C VAL A 50 -0.046 4.183 0.505 1.00 0.00 C ATOM 679 O VAL A 50 -1.212 4.456 0.303 1.00 0.00 O ATOM 680 CB VAL A 50 0.468 1.891 1.299 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.139 1.090 2.411 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.940 1.366 1.047 1.00 0.00 C ATOM 0 H VAL A 50 -1.588 3.515 2.468 1.00 0.00 H new ATOM 0 HA VAL A 50 1.362 3.733 2.026 1.00 0.00 H new ATOM 0 HB VAL A 50 1.059 1.785 0.389 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.190 0.040 2.123 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.147 1.470 2.576 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.560 1.187 3.329 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.891 0.314 0.765 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.535 1.471 1.954 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.402 1.936 0.241 1.00 0.00 H new ATOM 692 N TYR A 51 0.892 4.570 -0.277 1.00 0.00 N ATOM 693 CA TYR A 51 0.583 5.379 -1.474 1.00 0.00 C ATOM 694 C TYR A 51 1.043 4.632 -2.722 1.00 0.00 C ATOM 695 O TYR A 51 2.198 4.311 -2.888 1.00 0.00 O ATOM 696 CB TYR A 51 1.361 6.668 -1.247 1.00 0.00 C ATOM 697 CG TYR A 51 0.532 7.653 -0.433 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.815 7.377 -0.110 1.00 0.00 C ATOM 699 CD2 TYR A 51 1.097 8.886 -0.058 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.581 8.330 0.568 1.00 0.00 C ATOM 701 CE2 TYR A 51 0.326 9.828 0.638 1.00 0.00 C ATOM 702 CZ TYR A 51 -1.014 9.552 0.942 1.00 0.00 C ATOM 703 OH TYR A 51 -1.775 10.486 1.609 1.00 0.00 O ATOM 0 H TYR A 51 1.881 4.360 -0.142 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.479 5.577 -1.621 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.293 6.450 -0.726 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.628 7.113 -2.206 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.253 6.430 -0.387 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.125 9.107 -0.306 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.614 8.122 0.804 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.765 10.767 0.940 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.210 10.977 2.242 1.00 0.00 H new ATOM 713 N VAL A 52 0.125 4.325 -3.585 1.00 0.00 N ATOM 714 CA VAL A 52 0.488 3.558 -4.815 1.00 0.00 C ATOM 715 C VAL A 52 0.604 4.495 -6.038 1.00 0.00 C ATOM 716 O VAL A 52 -0.065 5.507 -6.103 1.00 0.00 O ATOM 717 CB VAL A 52 -0.678 2.581 -5.012 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.350 1.581 -6.129 1.00 0.00 C ATOM 719 CG2 VAL A 52 -0.925 1.820 -3.708 1.00 0.00 C ATOM 0 H VAL A 52 -0.862 4.568 -3.499 1.00 0.00 H new ATOM 0 HA VAL A 52 1.451 3.057 -4.714 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.570 3.143 -5.290 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.186 0.893 -6.259 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.176 2.120 -7.060 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.545 1.018 -5.863 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.753 1.124 -3.844 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.027 1.266 -3.434 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.171 2.527 -2.915 1.00 0.00 H new ATOM 729 N ASN A 53 1.413 4.164 -7.028 1.00 0.00 N ATOM 730 CA ASN A 53 1.499 5.044 -8.235 1.00 0.00 C ATOM 731 C ASN A 53 0.238 4.864 -9.084 1.00 0.00 C ATOM 732 O ASN A 53 -0.176 3.758 -9.367 1.00 0.00 O ATOM 733 CB ASN A 53 2.744 4.603 -9.023 1.00 0.00 C ATOM 734 CG ASN A 53 2.731 3.099 -9.308 1.00 0.00 C ATOM 735 OD1 ASN A 53 3.630 2.596 -9.950 1.00 0.00 O ATOM 736 ND2 ASN A 53 1.748 2.355 -8.904 1.00 0.00 N ATOM 0 H ASN A 53 2.006 3.334 -7.047 1.00 0.00 H new ATOM 0 HA ASN A 53 1.575 6.096 -7.959 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.792 5.151 -9.964 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.641 4.859 -8.459 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.737 1.360 -9.127 1.00 0.00 H new ATOM 0 HD22 ASN A 53 0.986 2.765 -8.364 1.00 0.00 H new ATOM 743 N GLU A 54 -0.382 5.946 -9.475 1.00 0.00 N ATOM 744 CA GLU A 54 -1.632 5.857 -10.294 1.00 0.00 C ATOM 745 C GLU A 54 -1.570 4.692 -11.291 1.00 0.00 C ATOM 746 O GLU A 54 -2.584 4.147 -11.680 1.00 0.00 O ATOM 747 CB GLU A 54 -1.706 7.190 -11.038 1.00 0.00 C ATOM 748 CG GLU A 54 -0.385 7.442 -11.767 1.00 0.00 C ATOM 749 CD GLU A 54 -0.580 7.224 -13.268 1.00 0.00 C ATOM 750 OE1 GLU A 54 -1.515 7.790 -13.812 1.00 0.00 O ATOM 751 OE2 GLU A 54 0.208 6.497 -13.849 1.00 0.00 O ATOM 0 H GLU A 54 -0.076 6.895 -9.262 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.507 5.674 -9.670 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.530 7.175 -11.751 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.906 8.000 -10.336 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.042 8.459 -11.578 1.00 0.00 H new ATOM 0 HG3 GLU A 54 0.385 6.770 -11.388 1.00 0.00 H new ATOM 758 N ALA A 55 -0.398 4.315 -11.719 1.00 0.00 N ATOM 759 CA ALA A 55 -0.289 3.197 -12.700 1.00 0.00 C ATOM 760 C ALA A 55 -0.833 1.887 -12.114 1.00 0.00 C ATOM 761 O ALA A 55 -1.158 0.967 -12.837 1.00 0.00 O ATOM 762 CB ALA A 55 1.207 3.071 -12.990 1.00 0.00 C ATOM 0 H ALA A 55 0.488 4.731 -11.433 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.872 3.394 -13.600 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.372 2.266 -13.706 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.577 4.008 -13.405 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.739 2.848 -12.065 1.00 0.00 H new ATOM 768 N PHE A 56 -0.931 1.786 -10.815 1.00 0.00 N ATOM 769 CA PHE A 56 -1.449 0.522 -10.211 1.00 0.00 C ATOM 770 C PHE A 56 -2.597 0.820 -9.240 1.00 0.00 C ATOM 771 O PHE A 56 -3.300 -0.073 -8.818 1.00 0.00 O ATOM 772 CB PHE A 56 -0.249 -0.086 -9.484 1.00 0.00 C ATOM 773 CG PHE A 56 0.787 -0.483 -10.517 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.550 0.520 -11.140 1.00 0.00 C ATOM 775 CD2 PHE A 56 0.991 -1.837 -10.882 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.493 0.186 -12.113 1.00 0.00 C ATOM 777 CE2 PHE A 56 1.941 -2.152 -11.849 1.00 0.00 C ATOM 778 CZ PHE A 56 2.689 -1.148 -12.468 1.00 0.00 C ATOM 0 H PHE A 56 -0.677 2.517 -10.150 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.855 -0.160 -10.958 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.172 0.633 -8.781 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.558 -0.955 -8.904 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.406 1.554 -10.864 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.413 -2.619 -10.413 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.072 0.962 -12.592 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.102 -3.184 -12.124 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.419 -1.405 -13.221 1.00 0.00 H new ATOM 788 N THR A 57 -2.807 2.066 -8.900 1.00 0.00 N ATOM 789 CA THR A 57 -3.939 2.401 -7.975 1.00 0.00 C ATOM 790 C THR A 57 -5.240 2.456 -8.780 1.00 0.00 C ATOM 791 O THR A 57 -6.325 2.411 -8.240 1.00 0.00 O ATOM 792 CB THR A 57 -3.657 3.788 -7.365 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.412 4.769 -8.061 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.173 4.149 -7.452 1.00 0.00 C ATOM 0 H THR A 57 -2.252 2.861 -9.217 1.00 0.00 H new ATOM 0 HA THR A 57 -4.032 1.651 -7.189 1.00 0.00 H new ATOM 0 HB THR A 57 -3.942 3.758 -6.313 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.303 4.841 -7.660 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.012 5.133 -7.012 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.586 3.408 -6.909 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.863 4.163 -8.497 1.00 0.00 H new ATOM 802 N ASP A 58 -5.129 2.577 -10.076 1.00 0.00 N ATOM 803 CA ASP A 58 -6.348 2.655 -10.932 1.00 0.00 C ATOM 804 C ASP A 58 -6.781 1.252 -11.361 1.00 0.00 C ATOM 805 O ASP A 58 -7.949 0.983 -11.558 1.00 0.00 O ATOM 806 CB ASP A 58 -5.920 3.484 -12.146 1.00 0.00 C ATOM 807 CG ASP A 58 -5.053 2.630 -13.074 1.00 0.00 C ATOM 808 OD1 ASP A 58 -3.916 2.370 -12.717 1.00 0.00 O ATOM 809 OD2 ASP A 58 -5.541 2.252 -14.126 1.00 0.00 O ATOM 0 H ASP A 58 -4.244 2.625 -10.580 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.196 3.101 -10.412 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.799 3.843 -12.682 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.364 4.363 -11.820 1.00 0.00 H new ATOM 814 N LYS A 59 -5.845 0.357 -11.506 1.00 0.00 N ATOM 815 CA LYS A 59 -6.192 -1.030 -11.921 1.00 0.00 C ATOM 816 C LYS A 59 -6.634 -1.851 -10.708 1.00 0.00 C ATOM 817 O LYS A 59 -6.754 -3.057 -10.774 1.00 0.00 O ATOM 818 CB LYS A 59 -4.899 -1.599 -12.501 1.00 0.00 C ATOM 819 CG LYS A 59 -4.340 -0.635 -13.550 1.00 0.00 C ATOM 820 CD LYS A 59 -5.142 -0.770 -14.846 1.00 0.00 C ATOM 821 CE LYS A 59 -4.307 -1.520 -15.886 1.00 0.00 C ATOM 822 NZ LYS A 59 -3.361 -0.504 -16.426 1.00 0.00 N ATOM 0 H LYS A 59 -4.851 0.527 -11.354 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.012 -1.053 -12.638 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.168 -1.752 -11.707 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.088 -2.573 -12.952 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.393 0.390 -13.182 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.288 -0.853 -13.736 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -6.073 -1.305 -14.656 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.412 0.216 -15.223 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.773 -2.356 -15.435 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.936 -1.932 -16.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.588 -0.313 -17.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -3.445 0.375 -15.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -2.388 -0.864 -16.356 1.00 0.00 H new ATOM 836 N VAL A 60 -6.875 -1.208 -9.602 1.00 0.00 N ATOM 837 CA VAL A 60 -7.302 -1.949 -8.388 1.00 0.00 C ATOM 838 C VAL A 60 -8.707 -1.518 -7.978 1.00 0.00 C ATOM 839 O VAL A 60 -9.140 -0.425 -8.284 1.00 0.00 O ATOM 840 CB VAL A 60 -6.295 -1.579 -7.286 1.00 0.00 C ATOM 841 CG1 VAL A 60 -5.164 -2.603 -7.251 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.708 -0.185 -7.521 1.00 0.00 C ATOM 0 H VAL A 60 -6.794 -0.198 -9.487 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.325 -3.024 -8.564 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.824 -1.578 -6.333 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.454 -2.335 -6.468 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.574 -3.592 -7.045 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.654 -2.615 -8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.999 0.050 -6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.195 -0.163 -8.483 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.511 0.552 -7.521 1.00 0.00 H new ATOM 852 N PRO A 61 -9.370 -2.397 -7.284 1.00 0.00 N ATOM 853 CA PRO A 61 -10.745 -2.117 -6.803 1.00 0.00 C ATOM 854 C PRO A 61 -10.778 -0.948 -5.834 1.00 0.00 C ATOM 855 O PRO A 61 -9.802 -0.592 -5.204 1.00 0.00 O ATOM 856 CB PRO A 61 -11.162 -3.411 -6.121 1.00 0.00 C ATOM 857 CG PRO A 61 -9.872 -4.082 -5.770 1.00 0.00 C ATOM 858 CD PRO A 61 -8.913 -3.729 -6.878 1.00 0.00 C ATOM 0 HA PRO A 61 -11.416 -1.830 -7.613 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.762 -3.216 -5.232 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.765 -4.032 -6.783 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.500 -3.736 -4.806 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.001 -5.162 -5.693 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.880 -3.715 -6.531 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.963 -4.443 -7.700 1.00 0.00 H new ATOM 866 N ALA A 62 -11.920 -0.352 -5.740 1.00 0.00 N ATOM 867 CA ALA A 62 -12.116 0.811 -4.850 1.00 0.00 C ATOM 868 C ALA A 62 -12.343 0.358 -3.410 1.00 0.00 C ATOM 869 O ALA A 62 -13.191 -0.465 -3.130 1.00 0.00 O ATOM 870 CB ALA A 62 -13.361 1.488 -5.413 1.00 0.00 C ATOM 0 H ALA A 62 -12.753 -0.631 -6.259 1.00 0.00 H new ATOM 0 HA ALA A 62 -11.252 1.475 -4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -13.595 2.371 -4.819 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -13.179 1.784 -6.446 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -14.200 0.794 -5.377 1.00 0.00 H new ATOM 876 N ALA A 63 -11.596 0.898 -2.500 1.00 0.00 N ATOM 877 CA ALA A 63 -11.765 0.512 -1.068 1.00 0.00 C ATOM 878 C ALA A 63 -13.101 1.041 -0.535 1.00 0.00 C ATOM 879 O ALA A 63 -13.654 1.988 -1.059 1.00 0.00 O ATOM 880 CB ALA A 63 -10.603 1.181 -0.343 1.00 0.00 C ATOM 0 H ALA A 63 -10.871 1.593 -2.679 1.00 0.00 H new ATOM 0 HA ALA A 63 -11.769 -0.569 -0.927 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.654 0.946 0.720 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.661 0.815 -0.751 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.662 2.261 -0.479 1.00 0.00 H new ATOM 886 N ASN A 64 -13.631 0.431 0.492 1.00 0.00 N ATOM 887 CA ASN A 64 -14.940 0.898 1.036 1.00 0.00 C ATOM 888 C ASN A 64 -14.756 1.761 2.289 1.00 0.00 C ATOM 889 O ASN A 64 -13.657 2.115 2.661 1.00 0.00 O ATOM 890 CB ASN A 64 -15.708 -0.379 1.377 1.00 0.00 C ATOM 891 CG ASN A 64 -14.836 -1.282 2.251 1.00 0.00 C ATOM 892 OD1 ASN A 64 -13.748 -0.906 2.639 1.00 0.00 O ATOM 893 ND2 ASN A 64 -15.272 -2.468 2.578 1.00 0.00 N ATOM 0 H ASN A 64 -13.217 -0.366 0.975 1.00 0.00 H new ATOM 0 HA ASN A 64 -15.468 1.522 0.315 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -16.632 -0.132 1.900 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.989 -0.902 0.463 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -14.699 -3.080 3.160 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -16.186 -2.783 2.252 1.00 0.00 H new ATOM 900 N GLU A 65 -15.843 2.096 2.938 1.00 0.00 N ATOM 901 CA GLU A 65 -15.770 2.936 4.173 1.00 0.00 C ATOM 902 C GLU A 65 -14.683 2.418 5.116 1.00 0.00 C ATOM 903 O GLU A 65 -14.185 3.143 5.955 1.00 0.00 O ATOM 904 CB GLU A 65 -17.149 2.804 4.818 1.00 0.00 C ATOM 905 CG GLU A 65 -17.284 1.422 5.462 1.00 0.00 C ATOM 906 CD GLU A 65 -18.729 0.937 5.336 1.00 0.00 C ATOM 907 OE1 GLU A 65 -19.454 1.503 4.534 1.00 0.00 O ATOM 908 OE2 GLU A 65 -19.086 0.010 6.044 1.00 0.00 O ATOM 0 H GLU A 65 -16.786 1.821 2.663 1.00 0.00 H new ATOM 0 HA GLU A 65 -15.517 3.972 3.949 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -17.286 3.582 5.569 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.927 2.945 4.068 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -16.609 0.716 4.978 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.996 1.469 6.512 1.00 0.00 H new ATOM 915 N ARG A 66 -14.298 1.179 4.985 1.00 0.00 N ATOM 916 CA ARG A 66 -13.234 0.646 5.880 1.00 0.00 C ATOM 917 C ARG A 66 -11.936 1.393 5.616 1.00 0.00 C ATOM 918 O ARG A 66 -11.379 2.014 6.495 1.00 0.00 O ATOM 919 CB ARG A 66 -13.059 -0.822 5.494 1.00 0.00 C ATOM 920 CG ARG A 66 -13.254 -1.698 6.731 1.00 0.00 C ATOM 921 CD ARG A 66 -13.143 -3.172 6.334 1.00 0.00 C ATOM 922 NE ARG A 66 -14.244 -3.390 5.355 1.00 0.00 N ATOM 923 CZ ARG A 66 -14.478 -4.588 4.893 1.00 0.00 C ATOM 924 NH1 ARG A 66 -13.558 -5.511 4.976 1.00 0.00 N ATOM 925 NH2 ARG A 66 -15.631 -4.863 4.348 1.00 0.00 N ATOM 0 H ARG A 66 -14.670 0.518 4.303 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.494 0.760 6.932 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.780 -1.095 4.724 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -12.066 -0.983 5.073 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.504 -1.455 7.484 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.229 -1.503 7.178 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.171 -3.389 5.890 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.251 -3.824 7.201 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.815 -2.603 5.046 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.657 -5.296 5.402 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.741 -6.447 4.615 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -16.349 -4.142 4.283 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.814 -5.799 3.987 1.00 0.00 H new ATOM 939 N GLU A 67 -11.457 1.342 4.407 1.00 0.00 N ATOM 940 CA GLU A 67 -10.186 2.040 4.069 1.00 0.00 C ATOM 941 C GLU A 67 -10.308 3.569 4.182 1.00 0.00 C ATOM 942 O GLU A 67 -9.445 4.288 3.743 1.00 0.00 O ATOM 943 CB GLU A 67 -9.910 1.648 2.618 1.00 0.00 C ATOM 944 CG GLU A 67 -8.809 2.551 2.060 1.00 0.00 C ATOM 945 CD GLU A 67 -8.212 1.935 0.807 1.00 0.00 C ATOM 946 OE1 GLU A 67 -8.119 0.720 0.750 1.00 0.00 O ATOM 947 OE2 GLU A 67 -7.858 2.690 -0.081 1.00 0.00 O ATOM 0 H GLU A 67 -11.894 0.843 3.632 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.389 1.755 4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.605 0.603 2.562 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.817 1.748 2.022 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.217 3.536 1.831 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.031 2.695 2.810 1.00 0.00 H new ATOM 954 N ILE A 68 -11.356 4.095 4.734 1.00 0.00 N ATOM 955 CA ILE A 68 -11.442 5.575 4.813 1.00 0.00 C ATOM 956 C ILE A 68 -10.843 6.091 6.132 1.00 0.00 C ATOM 957 O ILE A 68 -10.159 7.093 6.149 1.00 0.00 O ATOM 958 CB ILE A 68 -12.939 5.881 4.687 1.00 0.00 C ATOM 959 CG1 ILE A 68 -13.310 5.995 3.203 1.00 0.00 C ATOM 960 CG2 ILE A 68 -13.280 7.194 5.392 1.00 0.00 C ATOM 961 CD1 ILE A 68 -12.688 4.834 2.420 1.00 0.00 C ATOM 0 H ILE A 68 -12.143 3.580 5.127 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.870 6.075 4.031 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.502 5.073 5.154 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -14.394 5.983 3.088 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -12.957 6.946 2.803 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.347 7.394 5.292 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.023 7.117 6.448 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -12.714 8.008 4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -12.955 4.921 1.367 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.603 4.866 2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.062 3.889 2.813 1.00 0.00 H new ATOM 973 N GLY A 69 -11.086 5.427 7.234 1.00 0.00 N ATOM 974 CA GLY A 69 -10.512 5.908 8.531 1.00 0.00 C ATOM 975 C GLY A 69 -9.139 5.267 8.754 1.00 0.00 C ATOM 976 O GLY A 69 -8.143 5.947 8.896 1.00 0.00 O ATOM 0 H GLY A 69 -11.651 4.580 7.294 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -10.420 6.994 8.519 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.181 5.654 9.353 1.00 0.00 H new ATOM 980 N MET A 70 -9.077 3.963 8.776 1.00 0.00 N ATOM 981 CA MET A 70 -7.761 3.280 8.979 1.00 0.00 C ATOM 982 C MET A 70 -6.731 3.894 8.046 1.00 0.00 C ATOM 983 O MET A 70 -5.602 4.158 8.412 1.00 0.00 O ATOM 984 CB MET A 70 -7.982 1.829 8.548 1.00 0.00 C ATOM 985 CG MET A 70 -8.770 1.786 7.236 1.00 0.00 C ATOM 986 SD MET A 70 -9.503 0.150 7.046 1.00 0.00 S ATOM 987 CE MET A 70 -8.020 -0.610 6.374 1.00 0.00 C ATOM 0 H MET A 70 -9.877 3.340 8.663 1.00 0.00 H new ATOM 0 HA MET A 70 -7.416 3.368 10.009 1.00 0.00 H new ATOM 0 HB2 MET A 70 -7.022 1.328 8.422 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.523 1.289 9.325 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.548 2.549 7.239 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.113 2.004 6.394 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.300 -1.406 5.684 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.435 0.141 5.843 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.424 -1.026 7.186 1.00 0.00 H new ATOM 997 N LEU A 71 -7.133 4.119 6.839 1.00 0.00 N ATOM 998 CA LEU A 71 -6.235 4.714 5.829 1.00 0.00 C ATOM 999 C LEU A 71 -5.987 6.182 6.193 1.00 0.00 C ATOM 1000 O LEU A 71 -4.920 6.717 5.977 1.00 0.00 O ATOM 1001 CB LEU A 71 -7.070 4.553 4.564 1.00 0.00 C ATOM 1002 CG LEU A 71 -6.296 4.884 3.280 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -7.266 5.553 2.300 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -5.128 5.838 3.557 1.00 0.00 C ATOM 0 H LEU A 71 -8.072 3.910 6.501 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.245 4.267 5.738 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.435 3.528 4.506 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -7.945 5.200 4.630 1.00 0.00 H new ATOM 0 HG LEU A 71 -5.886 3.962 2.867 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.740 5.799 1.378 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.087 4.871 2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.662 6.465 2.746 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.603 6.050 2.626 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -5.510 6.768 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.440 5.375 4.264 1.00 0.00 H new ATOM 1016 N GLU A 72 -6.969 6.827 6.769 1.00 0.00 N ATOM 1017 CA GLU A 72 -6.800 8.251 7.179 1.00 0.00 C ATOM 1018 C GLU A 72 -6.283 8.330 8.621 1.00 0.00 C ATOM 1019 O GLU A 72 -6.144 9.399 9.181 1.00 0.00 O ATOM 1020 CB GLU A 72 -8.200 8.862 7.079 1.00 0.00 C ATOM 1021 CG GLU A 72 -8.284 10.125 7.943 1.00 0.00 C ATOM 1022 CD GLU A 72 -9.303 11.091 7.339 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -10.482 10.912 7.594 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -8.888 11.995 6.633 1.00 0.00 O ATOM 0 H GLU A 72 -7.884 6.426 6.973 1.00 0.00 H new ATOM 0 HA GLU A 72 -6.079 8.777 6.553 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -8.426 9.106 6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -8.946 8.138 7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.574 9.863 8.961 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -7.306 10.603 8.003 1.00 0.00 H new ATOM 1031 N CYS A 73 -6.005 7.216 9.237 1.00 0.00 N ATOM 1032 CA CYS A 73 -5.515 7.266 10.643 1.00 0.00 C ATOM 1033 C CYS A 73 -4.379 8.281 10.750 1.00 0.00 C ATOM 1034 O CYS A 73 -4.433 9.205 11.539 1.00 0.00 O ATOM 1035 CB CYS A 73 -5.022 5.853 10.947 1.00 0.00 C ATOM 1036 SG CYS A 73 -6.381 4.890 11.655 1.00 0.00 S ATOM 0 H CYS A 73 -6.094 6.283 8.834 1.00 0.00 H new ATOM 0 HA CYS A 73 -6.287 7.574 11.349 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.659 5.377 10.036 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.184 5.889 11.643 1.00 0.00 H new ATOM 0 HG CYS A 73 -6.183 4.733 12.930 1.00 0.00 H new ATOM 1042 N VAL A 74 -3.363 8.137 9.949 1.00 0.00 N ATOM 1043 CA VAL A 74 -2.245 9.119 9.994 1.00 0.00 C ATOM 1044 C VAL A 74 -2.536 10.260 9.013 1.00 0.00 C ATOM 1045 O VAL A 74 -2.444 10.099 7.812 1.00 0.00 O ATOM 1046 CB VAL A 74 -1.003 8.337 9.569 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -0.747 7.202 10.562 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -1.232 7.751 8.178 1.00 0.00 C ATOM 0 H VAL A 74 -3.257 7.385 9.267 1.00 0.00 H new ATOM 0 HA VAL A 74 -2.112 9.563 10.980 1.00 0.00 H new ATOM 0 HB VAL A 74 -0.140 9.003 9.551 1.00 0.00 H new ATOM 0 HG11 VAL A 74 0.139 6.645 10.258 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -0.590 7.618 11.557 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -1.607 6.533 10.580 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -0.349 7.192 7.869 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -2.094 7.084 8.201 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -1.417 8.558 7.469 1.00 0.00 H new ATOM 1058 N THR A 75 -2.904 11.403 9.518 1.00 0.00 N ATOM 1059 CA THR A 75 -3.225 12.555 8.626 1.00 0.00 C ATOM 1060 C THR A 75 -2.127 12.756 7.577 1.00 0.00 C ATOM 1061 O THR A 75 -1.118 13.383 7.829 1.00 0.00 O ATOM 1062 CB THR A 75 -3.276 13.761 9.564 1.00 0.00 C ATOM 1063 OG1 THR A 75 -3.645 14.917 8.826 1.00 0.00 O ATOM 1064 CG2 THR A 75 -1.897 13.972 10.196 1.00 0.00 C ATOM 0 H THR A 75 -2.997 11.592 10.516 1.00 0.00 H new ATOM 0 HA THR A 75 -4.156 12.402 8.080 1.00 0.00 H new ATOM 0 HB THR A 75 -4.011 13.584 10.349 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.680 15.691 9.426 1.00 0.00 H new ATOM 0 HG21 THR A 75 -1.931 14.832 10.865 1.00 0.00 H new ATOM 0 HG22 THR A 75 -1.616 13.083 10.761 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.161 14.152 9.412 1.00 0.00 H new ATOM 1072 N ALA A 76 -2.325 12.236 6.398 1.00 0.00 N ATOM 1073 CA ALA A 76 -1.302 12.404 5.327 1.00 0.00 C ATOM 1074 C ALA A 76 -1.969 12.901 4.042 1.00 0.00 C ATOM 1075 O ALA A 76 -1.785 12.336 2.985 1.00 0.00 O ATOM 1076 CB ALA A 76 -0.711 11.010 5.121 1.00 0.00 C ATOM 0 H ALA A 76 -3.151 11.702 6.129 1.00 0.00 H new ATOM 0 HA ALA A 76 -0.537 13.133 5.593 1.00 0.00 H new ATOM 0 HB1 ALA A 76 0.053 11.050 4.345 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -0.264 10.663 6.053 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -1.500 10.321 4.819 1.00 0.00 H new ATOM 1082 N GLU A 77 -2.750 13.948 4.131 1.00 0.00 N ATOM 1083 CA GLU A 77 -3.440 14.485 2.918 1.00 0.00 C ATOM 1084 C GLU A 77 -3.935 13.339 2.039 1.00 0.00 C ATOM 1085 O GLU A 77 -3.548 13.203 0.896 1.00 0.00 O ATOM 1086 CB GLU A 77 -2.405 15.348 2.188 1.00 0.00 C ATOM 1087 CG GLU A 77 -1.194 14.498 1.795 1.00 0.00 C ATOM 1088 CD GLU A 77 -0.313 15.286 0.825 1.00 0.00 C ATOM 1089 OE1 GLU A 77 -0.417 16.501 0.813 1.00 0.00 O ATOM 1090 OE2 GLU A 77 0.453 14.660 0.110 1.00 0.00 O ATOM 0 H GLU A 77 -2.940 14.456 4.995 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.318 15.076 3.178 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -2.852 15.791 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.089 16.171 2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.623 14.226 2.683 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.524 13.568 1.331 1.00 0.00 H new ATOM 1097 N LEU A 78 -4.792 12.523 2.586 1.00 0.00 N ATOM 1098 CA LEU A 78 -5.357 11.364 1.837 1.00 0.00 C ATOM 1099 C LEU A 78 -5.441 11.645 0.334 1.00 0.00 C ATOM 1100 O LEU A 78 -5.711 12.751 -0.090 1.00 0.00 O ATOM 1101 CB LEU A 78 -6.751 11.207 2.420 1.00 0.00 C ATOM 1102 CG LEU A 78 -6.961 9.752 2.832 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -5.837 9.319 3.774 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.301 9.620 3.549 1.00 0.00 C ATOM 0 H LEU A 78 -5.133 12.613 3.543 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.739 10.472 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.874 11.863 3.282 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.501 11.502 1.686 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.955 9.118 1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -5.988 8.280 4.067 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -4.878 9.417 3.265 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -5.843 9.951 4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.455 8.582 3.845 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.303 10.254 4.435 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.104 9.929 2.880 1.00 0.00 H new ATOM 1116 N LYS A 79 -5.212 10.644 -0.472 1.00 0.00 N ATOM 1117 CA LYS A 79 -5.277 10.833 -1.950 1.00 0.00 C ATOM 1118 C LYS A 79 -6.337 9.903 -2.544 1.00 0.00 C ATOM 1119 O LYS A 79 -6.846 9.036 -1.862 1.00 0.00 O ATOM 1120 CB LYS A 79 -3.899 10.452 -2.459 1.00 0.00 C ATOM 1121 CG LYS A 79 -2.820 10.951 -1.493 1.00 0.00 C ATOM 1122 CD LYS A 79 -1.448 10.594 -2.058 1.00 0.00 C ATOM 1123 CE LYS A 79 -1.510 9.185 -2.637 1.00 0.00 C ATOM 1124 NZ LYS A 79 -0.144 8.915 -3.167 1.00 0.00 N ATOM 0 H LYS A 79 -4.981 9.698 -0.169 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.545 11.853 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.829 9.369 -2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.738 10.880 -3.448 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.904 12.029 -1.359 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.953 10.496 -0.511 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -1.160 11.308 -2.830 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -0.691 10.648 -1.275 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.786 8.458 -1.873 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -2.258 9.117 -3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -0.144 8.013 -3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 0.137 9.683 -3.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.530 8.861 -2.377 1.00 0.00 H new ATOM 1138 N PRO A 80 -6.629 10.099 -3.803 1.00 0.00 N ATOM 1139 CA PRO A 80 -7.630 9.242 -4.480 1.00 0.00 C ATOM 1140 C PRO A 80 -7.075 7.827 -4.650 1.00 0.00 C ATOM 1141 O PRO A 80 -7.806 6.856 -4.639 1.00 0.00 O ATOM 1142 CB PRO A 80 -7.831 9.921 -5.832 1.00 0.00 C ATOM 1143 CG PRO A 80 -6.575 10.697 -6.062 1.00 0.00 C ATOM 1144 CD PRO A 80 -6.070 11.112 -4.706 1.00 0.00 C ATOM 0 HA PRO A 80 -8.562 9.141 -3.925 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.993 9.188 -6.622 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.703 10.575 -5.820 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.834 10.089 -6.582 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.768 11.569 -6.687 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.981 11.123 -4.670 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -6.408 12.114 -4.442 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.784 7.703 -4.798 1.00 0.00 N ATOM 1153 CA ASN A 81 -5.182 6.348 -4.959 1.00 0.00 C ATOM 1154 C ASN A 81 -4.645 5.831 -3.622 1.00 0.00 C ATOM 1155 O ASN A 81 -4.211 4.699 -3.522 1.00 0.00 O ATOM 1156 CB ASN A 81 -4.030 6.512 -5.954 1.00 0.00 C ATOM 1157 CG ASN A 81 -3.168 7.714 -5.565 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -3.676 8.789 -5.315 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.871 7.574 -5.505 1.00 0.00 N ATOM 0 H ASN A 81 -5.122 8.478 -4.814 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.923 5.630 -5.310 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.421 5.608 -5.970 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.425 6.648 -6.961 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.284 8.367 -5.248 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.445 6.671 -5.715 1.00 0.00 H new ATOM 1166 N SER A 82 -4.654 6.637 -2.593 1.00 0.00 N ATOM 1167 CA SER A 82 -4.125 6.152 -1.287 1.00 0.00 C ATOM 1168 C SER A 82 -4.731 4.795 -0.941 1.00 0.00 C ATOM 1169 O SER A 82 -5.703 4.362 -1.527 1.00 0.00 O ATOM 1170 CB SER A 82 -4.573 7.186 -0.258 1.00 0.00 C ATOM 1171 OG SER A 82 -4.241 8.482 -0.718 1.00 0.00 O ATOM 0 H SER A 82 -5.000 7.597 -2.600 1.00 0.00 H new ATOM 0 HA SER A 82 -3.042 6.034 -1.313 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.648 7.111 -0.095 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.091 6.994 0.700 1.00 0.00 H new ATOM 0 HG SER A 82 -3.287 8.648 -0.568 1.00 0.00 H new ATOM 1177 N ARG A 83 -4.155 4.125 0.011 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.673 2.793 0.418 1.00 0.00 C ATOM 1179 C ARG A 83 -3.888 2.289 1.625 1.00 0.00 C ATOM 1180 O ARG A 83 -2.844 2.809 1.961 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.427 1.873 -0.784 1.00 0.00 C ATOM 1182 CG ARG A 83 -5.746 1.234 -1.226 1.00 0.00 C ATOM 1183 CD ARG A 83 -6.369 2.027 -2.379 1.00 0.00 C ATOM 1184 NE ARG A 83 -6.764 0.990 -3.370 1.00 0.00 N ATOM 1185 CZ ARG A 83 -6.965 1.321 -4.616 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -5.977 1.780 -5.336 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -8.152 1.194 -5.142 1.00 0.00 N ATOM 0 H ARG A 83 -3.338 4.446 0.531 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.727 2.828 0.692 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.994 2.442 -1.607 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -3.708 1.098 -0.519 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.571 0.204 -1.538 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.439 1.199 -0.385 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -7.230 2.605 -2.044 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.657 2.734 -2.806 1.00 0.00 H new ATOM 0 HE ARG A 83 -6.878 0.020 -3.075 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -5.049 1.879 -4.924 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.133 2.039 -6.310 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.924 0.836 -4.579 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.309 1.453 -6.116 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.368 1.261 2.264 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.627 0.705 3.429 1.00 0.00 C ATOM 1203 C LEU A 84 -2.771 -0.458 2.934 1.00 0.00 C ATOM 1204 O LEU A 84 -3.188 -1.206 2.072 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.700 0.224 4.412 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.530 0.959 5.746 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -5.474 0.374 6.787 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -3.102 0.776 6.245 1.00 0.00 C ATOM 0 H LEU A 84 -5.238 0.783 2.032 1.00 0.00 H new ATOM 0 HA LEU A 84 -2.969 1.430 3.909 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.693 0.411 4.004 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.615 -0.852 4.563 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.751 2.016 5.595 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.346 0.902 7.732 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.504 0.483 6.447 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.249 -0.683 6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.978 1.298 7.194 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.899 -0.286 6.386 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.406 1.185 5.513 1.00 0.00 H new ATOM 1220 N SER A 85 -1.573 -0.611 3.438 1.00 0.00 N ATOM 1221 CA SER A 85 -0.716 -1.724 2.943 1.00 0.00 C ATOM 1222 C SER A 85 -1.544 -3.000 2.768 1.00 0.00 C ATOM 1223 O SER A 85 -1.221 -3.860 1.974 1.00 0.00 O ATOM 1224 CB SER A 85 0.358 -1.953 3.989 1.00 0.00 C ATOM 1225 OG SER A 85 0.891 -0.707 4.413 1.00 0.00 O ATOM 0 H SER A 85 -1.158 -0.022 4.160 1.00 0.00 H new ATOM 0 HA SER A 85 -0.281 -1.471 1.976 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.060 -2.489 4.841 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.151 -2.577 3.578 1.00 0.00 H new ATOM 0 HG SER A 85 1.843 -0.812 4.622 1.00 0.00 H new ATOM 1231 N CYS A 86 -2.600 -3.133 3.532 1.00 0.00 N ATOM 1232 CA CYS A 86 -3.444 -4.368 3.459 1.00 0.00 C ATOM 1233 C CYS A 86 -4.794 -4.074 2.790 1.00 0.00 C ATOM 1234 O CYS A 86 -5.833 -4.516 3.238 1.00 0.00 O ATOM 1235 CB CYS A 86 -3.608 -4.822 4.924 1.00 0.00 C ATOM 1236 SG CYS A 86 -2.095 -4.384 5.834 1.00 0.00 S ATOM 0 H CYS A 86 -2.916 -2.436 4.207 1.00 0.00 H new ATOM 0 HA CYS A 86 -2.987 -5.149 2.850 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.475 -4.340 5.376 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.781 -5.897 4.971 1.00 0.00 H new ATOM 1241 N GLN A 87 -4.777 -3.328 1.711 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.041 -2.998 0.996 1.00 0.00 C ATOM 1243 C GLN A 87 -5.970 -3.367 -0.481 1.00 0.00 C ATOM 1244 O GLN A 87 -6.956 -3.748 -1.081 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.223 -1.487 1.168 1.00 0.00 C ATOM 1246 CG GLN A 87 -7.122 -1.207 2.374 1.00 0.00 C ATOM 1247 CD GLN A 87 -8.469 -1.907 2.183 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -9.429 -1.301 1.750 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -8.575 -3.168 2.488 1.00 0.00 N ATOM 0 H GLN A 87 -3.933 -2.933 1.296 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.880 -3.563 1.403 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -5.254 -1.008 1.307 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -6.664 -1.060 0.267 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -6.643 -1.560 3.287 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.271 -0.133 2.488 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.768 -3.674 2.851 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.465 -3.650 2.364 1.00 0.00 H new ATOM 1258 N ILE A 88 -4.829 -3.253 -1.079 1.00 0.00 N ATOM 1259 CA ILE A 88 -4.729 -3.597 -2.530 1.00 0.00 C ATOM 1260 C ILE A 88 -4.330 -5.059 -2.700 1.00 0.00 C ATOM 1261 O ILE A 88 -3.631 -5.627 -1.886 1.00 0.00 O ATOM 1262 CB ILE A 88 -3.655 -2.691 -3.151 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -3.378 -1.470 -2.259 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.142 -2.217 -4.522 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -2.638 -0.394 -3.062 1.00 0.00 C ATOM 0 H ILE A 88 -3.963 -2.940 -0.640 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.691 -3.448 -3.020 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.730 -3.259 -3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.316 -1.069 -1.875 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -2.782 -1.767 -1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.388 -1.573 -4.973 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.314 -3.080 -5.165 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.072 -1.660 -4.405 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -2.445 0.468 -2.424 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.692 -0.796 -3.424 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.250 -0.088 -3.910 1.00 0.00 H new ATOM 1277 N ILE A 89 -4.763 -5.662 -3.766 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.412 -7.080 -4.021 1.00 0.00 C ATOM 1279 C ILE A 89 -3.452 -7.155 -5.205 1.00 0.00 C ATOM 1280 O ILE A 89 -3.397 -6.263 -6.027 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.740 -7.763 -4.348 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.540 -7.984 -3.058 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.467 -9.106 -5.017 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.633 -8.577 -1.976 1.00 0.00 C ATOM 0 H ILE A 89 -5.351 -5.229 -4.478 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.919 -7.557 -3.174 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.316 -7.130 -5.023 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.960 -7.039 -2.714 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.378 -8.654 -3.250 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.413 -9.595 -5.251 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.904 -8.947 -5.936 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.889 -9.738 -4.342 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -6.208 -8.731 -1.063 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -5.234 -9.532 -2.319 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.810 -7.891 -1.775 1.00 0.00 H new ATOM 1296 N MET A 90 -2.684 -8.202 -5.296 1.00 0.00 N ATOM 1297 CA MET A 90 -1.722 -8.310 -6.424 1.00 0.00 C ATOM 1298 C MET A 90 -2.153 -9.403 -7.402 1.00 0.00 C ATOM 1299 O MET A 90 -2.150 -10.575 -7.083 1.00 0.00 O ATOM 1300 CB MET A 90 -0.390 -8.667 -5.769 1.00 0.00 C ATOM 1301 CG MET A 90 0.711 -7.786 -6.356 1.00 0.00 C ATOM 1302 SD MET A 90 0.313 -6.044 -6.067 1.00 0.00 S ATOM 1303 CE MET A 90 0.006 -5.595 -7.792 1.00 0.00 C ATOM 0 H MET A 90 -2.680 -8.984 -4.641 1.00 0.00 H new ATOM 0 HA MET A 90 -1.662 -7.387 -7.001 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.451 -8.523 -4.690 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.159 -9.719 -5.937 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.670 -8.031 -5.899 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.810 -7.974 -7.425 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.244 -4.536 -7.853 1.00 0.00 H new ATOM 0 HE2 MET A 90 0.900 -5.791 -8.384 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.823 -6.187 -8.180 1.00 0.00 H new ATOM 1313 N THR A 91 -2.515 -9.026 -8.596 1.00 0.00 N ATOM 1314 CA THR A 91 -2.934 -10.041 -9.602 1.00 0.00 C ATOM 1315 C THR A 91 -1.836 -10.206 -10.655 1.00 0.00 C ATOM 1316 O THR A 91 -0.884 -9.451 -10.680 1.00 0.00 O ATOM 1317 CB THR A 91 -4.208 -9.475 -10.232 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.200 -8.059 -10.117 1.00 0.00 O ATOM 1319 CG2 THR A 91 -5.431 -10.040 -9.508 1.00 0.00 C ATOM 0 H THR A 91 -2.539 -8.059 -8.919 1.00 0.00 H new ATOM 0 HA THR A 91 -3.107 -11.023 -9.161 1.00 0.00 H new ATOM 0 HB THR A 91 -4.250 -9.755 -11.284 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.121 -7.730 -10.057 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.338 -9.636 -9.957 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.435 -11.127 -9.595 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.392 -9.760 -8.455 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.006 -11.190 -11.493 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.014 -11.456 -12.561 1.00 0.00 C ATOM 1329 C PRO A 92 -1.108 -10.388 -13.655 1.00 0.00 C ATOM 1330 O PRO A 92 -0.358 -10.396 -14.611 1.00 0.00 O ATOM 1331 CB PRO A 92 -1.413 -12.831 -13.088 1.00 0.00 C ATOM 1332 CG PRO A 92 -2.865 -12.970 -12.754 1.00 0.00 C ATOM 1333 CD PRO A 92 -3.125 -12.136 -11.525 1.00 0.00 C ATOM 0 HA PRO A 92 0.017 -11.431 -12.209 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.247 -12.905 -14.163 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.823 -13.619 -12.620 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.484 -12.633 -13.585 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.119 -14.014 -12.570 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.083 -11.619 -11.589 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.154 -12.750 -10.625 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.021 -9.464 -13.518 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.157 -8.391 -14.545 1.00 0.00 C ATOM 1343 C GLU A 93 -1.702 -7.048 -13.965 1.00 0.00 C ATOM 1344 O GLU A 93 -1.200 -6.194 -14.670 1.00 0.00 O ATOM 1345 CB GLU A 93 -3.647 -8.353 -14.893 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.477 -8.377 -13.609 1.00 0.00 C ATOM 1347 CD GLU A 93 -5.860 -7.783 -13.883 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -6.124 -7.448 -15.027 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -6.633 -7.675 -12.945 1.00 0.00 O ATOM 0 H GLU A 93 -2.678 -9.406 -12.740 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.543 -8.582 -15.425 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.873 -7.454 -15.467 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.906 -9.206 -15.521 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -4.575 -9.400 -13.246 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -3.974 -7.808 -12.827 1.00 0.00 H new ATOM 1356 N LEU A 94 -1.869 -6.857 -12.684 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.443 -5.572 -12.054 1.00 0.00 C ATOM 1358 C LEU A 94 -0.042 -5.710 -11.495 1.00 0.00 C ATOM 1359 O LEU A 94 0.209 -5.450 -10.338 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.438 -5.336 -10.928 1.00 0.00 C ATOM 1361 CG LEU A 94 -3.864 -5.453 -11.467 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -4.822 -4.717 -10.527 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -3.934 -4.835 -12.870 1.00 0.00 C ATOM 0 H LEU A 94 -2.283 -7.536 -12.045 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.428 -4.747 -12.766 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.279 -6.063 -10.131 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.283 -4.348 -10.494 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.150 -6.503 -11.524 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.840 -4.798 -10.908 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.770 -5.162 -9.533 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.539 -3.666 -10.469 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.951 -4.919 -13.254 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.651 -3.784 -12.819 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.251 -5.363 -13.535 1.00 0.00 H new ATOM 1375 N ASP A 95 0.864 -6.142 -12.302 1.00 0.00 N ATOM 1376 CA ASP A 95 2.250 -6.331 -11.808 1.00 0.00 C ATOM 1377 C ASP A 95 3.162 -5.176 -12.208 1.00 0.00 C ATOM 1378 O ASP A 95 3.010 -4.569 -13.250 1.00 0.00 O ATOM 1379 CB ASP A 95 2.717 -7.645 -12.429 1.00 0.00 C ATOM 1380 CG ASP A 95 2.379 -7.667 -13.921 1.00 0.00 C ATOM 1381 OD1 ASP A 95 1.204 -7.615 -14.243 1.00 0.00 O ATOM 1382 OD2 ASP A 95 3.302 -7.737 -14.716 1.00 0.00 O ATOM 0 H ASP A 95 0.713 -6.375 -13.284 1.00 0.00 H new ATOM 0 HA ASP A 95 2.283 -6.357 -10.719 1.00 0.00 H new ATOM 0 HB2 ASP A 95 3.792 -7.761 -12.289 1.00 0.00 H new ATOM 0 HB3 ASP A 95 2.238 -8.485 -11.927 1.00 0.00 H new ATOM 1387 N GLY A 96 4.091 -4.855 -11.347 1.00 0.00 N ATOM 1388 CA GLY A 96 5.005 -3.710 -11.603 1.00 0.00 C ATOM 1389 C GLY A 96 4.499 -2.560 -10.748 1.00 0.00 C ATOM 1390 O GLY A 96 4.725 -1.399 -11.026 1.00 0.00 O ATOM 0 H GLY A 96 4.255 -5.345 -10.468 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.032 -3.966 -11.342 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.003 -3.440 -12.659 1.00 0.00 H new ATOM 1394 N ILE A 97 3.766 -2.895 -9.725 1.00 0.00 N ATOM 1395 CA ILE A 97 3.154 -1.860 -8.854 1.00 0.00 C ATOM 1396 C ILE A 97 4.170 -1.125 -7.994 1.00 0.00 C ATOM 1397 O ILE A 97 4.964 -1.716 -7.288 1.00 0.00 O ATOM 1398 CB ILE A 97 2.126 -2.608 -7.975 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.801 -1.785 -6.727 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.687 -3.956 -7.526 1.00 0.00 C ATOM 1401 CD1 ILE A 97 1.357 -0.390 -7.141 1.00 0.00 C ATOM 0 H ILE A 97 3.563 -3.857 -9.453 1.00 0.00 H new ATOM 0 HA ILE A 97 2.692 -1.083 -9.464 1.00 0.00 H new ATOM 0 HB ILE A 97 1.225 -2.761 -8.569 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.014 -2.273 -6.151 1.00 0.00 H new ATOM 0 HG13 ILE A 97 2.677 -1.723 -6.081 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.950 -4.469 -6.908 1.00 0.00 H new ATOM 0 HG22 ILE A 97 2.914 -4.565 -8.401 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.597 -3.797 -6.948 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.125 0.197 -6.252 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.158 0.096 -7.698 1.00 0.00 H new ATOM 0 HD13 ILE A 97 0.469 -0.462 -7.770 1.00 0.00 H new ATOM 1413 N VAL A 98 4.105 0.177 -8.022 1.00 0.00 N ATOM 1414 CA VAL A 98 5.019 0.988 -7.179 1.00 0.00 C ATOM 1415 C VAL A 98 4.230 1.516 -5.981 1.00 0.00 C ATOM 1416 O VAL A 98 3.228 2.184 -6.138 1.00 0.00 O ATOM 1417 CB VAL A 98 5.479 2.144 -8.066 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.651 2.864 -7.396 1.00 0.00 C ATOM 1419 CG2 VAL A 98 5.927 1.599 -9.424 1.00 0.00 C ATOM 0 H VAL A 98 3.455 0.714 -8.596 1.00 0.00 H new ATOM 0 HA VAL A 98 5.870 0.419 -6.805 1.00 0.00 H new ATOM 0 HB VAL A 98 4.655 2.843 -8.209 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.980 3.689 -8.028 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.334 3.252 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.475 2.164 -7.254 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.255 2.424 -10.057 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.752 0.901 -9.282 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.094 1.084 -9.902 1.00 0.00 H new ATOM 1429 N VAL A 99 4.658 1.223 -4.787 1.00 0.00 N ATOM 1430 CA VAL A 99 3.902 1.717 -3.599 1.00 0.00 C ATOM 1431 C VAL A 99 4.631 2.874 -2.983 1.00 0.00 C ATOM 1432 O VAL A 99 5.649 3.319 -3.458 1.00 0.00 O ATOM 1433 CB VAL A 99 3.914 0.601 -2.552 1.00 0.00 C ATOM 1434 CG1 VAL A 99 2.669 0.671 -1.675 1.00 0.00 C ATOM 1435 CG2 VAL A 99 3.990 -0.749 -3.210 1.00 0.00 C ATOM 0 H VAL A 99 5.489 0.669 -4.580 1.00 0.00 H new ATOM 0 HA VAL A 99 2.895 2.008 -3.900 1.00 0.00 H new ATOM 0 HB VAL A 99 4.797 0.741 -1.928 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.698 -0.131 -0.938 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.638 1.633 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.780 0.561 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 99 3.997 -1.526 -2.446 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.125 -0.886 -3.859 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.903 -0.814 -3.802 1.00 0.00 H new ATOM 1445 N ASP A 100 4.131 3.317 -1.890 1.00 0.00 N ATOM 1446 CA ASP A 100 4.802 4.405 -1.162 1.00 0.00 C ATOM 1447 C ASP A 100 4.295 4.431 0.268 1.00 0.00 C ATOM 1448 O ASP A 100 3.124 4.263 0.526 1.00 0.00 O ATOM 1449 CB ASP A 100 4.453 5.712 -1.872 1.00 0.00 C ATOM 1450 CG ASP A 100 5.191 5.800 -3.208 1.00 0.00 C ATOM 1451 OD1 ASP A 100 6.301 6.307 -3.218 1.00 0.00 O ATOM 1452 OD2 ASP A 100 4.635 5.357 -4.199 1.00 0.00 O ATOM 0 H ASP A 100 3.274 2.970 -1.459 1.00 0.00 H new ATOM 0 HA ASP A 100 5.883 4.264 -1.144 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.377 5.768 -2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.723 6.560 -1.242 1.00 0.00 H new ATOM 1457 N VAL A 101 5.156 4.654 1.196 1.00 0.00 N ATOM 1458 CA VAL A 101 4.688 4.708 2.611 1.00 0.00 C ATOM 1459 C VAL A 101 4.496 6.178 3.019 1.00 0.00 C ATOM 1460 O VAL A 101 5.449 6.893 3.255 1.00 0.00 O ATOM 1461 CB VAL A 101 5.772 4.018 3.441 1.00 0.00 C ATOM 1462 CG1 VAL A 101 5.645 4.442 4.905 1.00 0.00 C ATOM 1463 CG2 VAL A 101 5.598 2.493 3.336 1.00 0.00 C ATOM 0 H VAL A 101 6.155 4.801 1.053 1.00 0.00 H new ATOM 0 HA VAL A 101 3.731 4.208 2.761 1.00 0.00 H new ATOM 0 HB VAL A 101 6.754 4.304 3.065 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.418 3.949 5.495 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.763 5.523 4.982 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.663 4.156 5.283 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.369 1.997 3.926 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.615 2.212 3.714 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.687 2.188 2.293 1.00 0.00 H new ATOM 1473 N PRO A 102 3.249 6.575 3.045 1.00 0.00 N ATOM 1474 CA PRO A 102 2.870 7.978 3.375 1.00 0.00 C ATOM 1475 C PRO A 102 3.119 8.330 4.849 1.00 0.00 C ATOM 1476 O PRO A 102 2.203 8.329 5.648 1.00 0.00 O ATOM 1477 CB PRO A 102 1.372 8.006 3.116 1.00 0.00 C ATOM 1478 CG PRO A 102 0.931 6.591 3.255 1.00 0.00 C ATOM 1479 CD PRO A 102 2.074 5.750 2.774 1.00 0.00 C ATOM 0 HA PRO A 102 3.454 8.690 2.792 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.860 8.651 3.830 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.151 8.393 2.121 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.686 6.359 4.292 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.034 6.403 2.666 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.122 4.799 3.304 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.983 5.520 1.713 1.00 0.00 H new