USER MOD reduce.3.24.130724 H: found=0, std=0, add=715, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 711 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 41 CYS SG : rot 39:sc= -6.15! USER MOD Set 1.2: A 51 THR OG1 : rot 82:sc= 0.969 USER MOD Set 2.1: A 2 SER OG : rot 110:sc= -0.287 USER MOD Set 2.2: A 28 SER OG : rot 26:sc= 0.268 USER MOD Set 2.3: A 30 HIS : no HD1:sc= 0 X(o=-0.019,f=-0.031) USER MOD Single : A 1 GLY N :NH3+ -106:sc= 0.0192 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 56:sc= 1.06 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00494 USER MOD Single : A 16 ASN : amide:sc= -0.0103 K(o=-0.01,f=-2!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= 0.765 (180deg=0.46) USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.0547 X(o=-0.055,f=-0.37) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 CYS SG : rot -173:sc= -3.9! USER MOD Single : A 50 HIS :FLIP no HD1:sc= -0.358 F(o=-1.5,f=-0.36) USER MOD Single : A 55 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0325) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0.022) USER MOD Single : A 66 THR OG1 : rot 12:sc= 0.165! USER MOD Single : A 67 LYS NZ :NH3+ 157:sc= 0.232 (180deg=-0.071) USER MOD Single : A 68 SER OG : rot 180:sc= 0.0195 USER MOD Single : A 70 ASN : amide:sc= -0.234 K(o=-0.23,f=-0.94) USER MOD Single : A 78 TYR OH : rot 180:sc= -3.23! USER MOD Single : A 80 MET CE :methyl -123:sc= 0 (180deg=-0.459) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.641 -16.137 6.977 1.00 0.00 N ATOM 2 CA GLY A 1 -10.456 -15.324 6.766 1.00 0.00 C ATOM 3 C GLY A 1 -9.506 -15.988 5.767 1.00 0.00 C ATOM 4 O GLY A 1 -9.366 -17.210 5.756 1.00 0.00 O ATOM 0 H1 GLY A 1 -12.452 -15.701 6.493 1.00 0.00 H new ATOM 0 H2 GLY A 1 -11.481 -17.090 6.594 1.00 0.00 H new ATOM 0 H3 GLY A 1 -11.840 -16.203 7.996 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.747 -14.340 6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.942 -15.171 7.715 1.00 0.00 H new ATOM 8 N SER A 2 -8.876 -15.154 4.953 1.00 0.00 N ATOM 9 CA SER A 2 -7.943 -15.645 3.953 1.00 0.00 C ATOM 10 C SER A 2 -6.651 -16.111 4.627 1.00 0.00 C ATOM 11 O SER A 2 -5.791 -15.296 4.958 1.00 0.00 O ATOM 12 CB SER A 2 -7.639 -14.569 2.908 1.00 0.00 C ATOM 13 OG SER A 2 -8.609 -14.550 1.864 1.00 0.00 O ATOM 0 H SER A 2 -8.993 -14.141 4.966 1.00 0.00 H new ATOM 0 HA SER A 2 -8.403 -16.490 3.441 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.607 -13.593 3.391 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.651 -14.746 2.482 1.00 0.00 H new ATOM 0 HG SER A 2 -9.152 -13.737 1.937 1.00 0.00 H new ATOM 19 N SER A 3 -6.556 -17.419 4.811 1.00 0.00 N ATOM 20 CA SER A 3 -5.383 -18.003 5.440 1.00 0.00 C ATOM 21 C SER A 3 -5.068 -19.358 4.802 1.00 0.00 C ATOM 22 O SER A 3 -5.969 -20.160 4.562 1.00 0.00 O ATOM 23 CB SER A 3 -5.588 -18.161 6.948 1.00 0.00 C ATOM 24 OG SER A 3 -4.822 -17.218 7.692 1.00 0.00 O ATOM 0 H SER A 3 -7.272 -18.091 4.536 1.00 0.00 H new ATOM 0 HA SER A 3 -4.540 -17.330 5.284 1.00 0.00 H new ATOM 0 HB2 SER A 3 -6.645 -18.038 7.185 1.00 0.00 H new ATOM 0 HB3 SER A 3 -5.310 -19.171 7.248 1.00 0.00 H new ATOM 0 HG SER A 3 -4.981 -17.350 8.650 1.00 0.00 H new ATOM 30 N GLY A 4 -3.786 -19.572 4.547 1.00 0.00 N ATOM 31 CA GLY A 4 -3.340 -20.815 3.942 1.00 0.00 C ATOM 32 C GLY A 4 -1.858 -21.066 4.232 1.00 0.00 C ATOM 33 O GLY A 4 -1.322 -20.567 5.219 1.00 0.00 O ATOM 0 H GLY A 4 -3.041 -18.905 4.749 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -3.935 -21.644 4.326 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -3.502 -20.778 2.865 1.00 0.00 H new ATOM 37 N SER A 5 -1.239 -21.839 3.352 1.00 0.00 N ATOM 38 CA SER A 5 0.170 -22.161 3.500 1.00 0.00 C ATOM 39 C SER A 5 0.642 -23.001 2.311 1.00 0.00 C ATOM 40 O SER A 5 -0.168 -23.620 1.623 1.00 0.00 O ATOM 41 CB SER A 5 0.430 -22.905 4.812 1.00 0.00 C ATOM 42 OG SER A 5 0.517 -22.015 5.921 1.00 0.00 O ATOM 0 H SER A 5 -1.687 -22.252 2.534 1.00 0.00 H new ATOM 0 HA SER A 5 0.734 -21.228 3.525 1.00 0.00 H new ATOM 0 HB2 SER A 5 -0.370 -23.624 4.986 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.357 -23.473 4.729 1.00 0.00 H new ATOM 0 HG SER A 5 -0.297 -21.471 5.968 1.00 0.00 H new ATOM 48 N SER A 6 1.951 -22.995 2.107 1.00 0.00 N ATOM 49 CA SER A 6 2.541 -23.749 1.013 1.00 0.00 C ATOM 50 C SER A 6 2.046 -23.201 -0.327 1.00 0.00 C ATOM 51 O SER A 6 0.865 -22.890 -0.476 1.00 0.00 O ATOM 52 CB SER A 6 2.214 -25.239 1.132 1.00 0.00 C ATOM 53 OG SER A 6 2.720 -25.986 0.029 1.00 0.00 O ATOM 0 H SER A 6 2.620 -22.480 2.680 1.00 0.00 H new ATOM 0 HA SER A 6 3.624 -23.638 1.065 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.635 -25.630 2.058 1.00 0.00 H new ATOM 0 HB3 SER A 6 1.134 -25.369 1.193 1.00 0.00 H new ATOM 0 HG SER A 6 2.492 -26.932 0.143 1.00 0.00 H new ATOM 59 N GLY A 7 2.974 -23.100 -1.267 1.00 0.00 N ATOM 60 CA GLY A 7 2.646 -22.595 -2.590 1.00 0.00 C ATOM 61 C GLY A 7 2.580 -21.067 -2.593 1.00 0.00 C ATOM 62 O GLY A 7 2.392 -20.448 -1.546 1.00 0.00 O ATOM 0 H GLY A 7 3.952 -23.359 -1.139 1.00 0.00 H new ATOM 0 HA2 GLY A 7 3.394 -22.932 -3.307 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.689 -23.004 -2.912 1.00 0.00 H new ATOM 66 N GLU A 8 2.739 -20.501 -3.780 1.00 0.00 N ATOM 67 CA GLU A 8 2.699 -19.057 -3.933 1.00 0.00 C ATOM 68 C GLU A 8 1.314 -18.610 -4.404 1.00 0.00 C ATOM 69 O GLU A 8 0.681 -19.287 -5.213 1.00 0.00 O ATOM 70 CB GLU A 8 3.787 -18.578 -4.897 1.00 0.00 C ATOM 71 CG GLU A 8 3.653 -19.262 -6.259 1.00 0.00 C ATOM 72 CD GLU A 8 4.840 -20.189 -6.526 1.00 0.00 C ATOM 73 OE1 GLU A 8 5.947 -19.647 -6.735 1.00 0.00 O ATOM 74 OE2 GLU A 8 4.614 -21.418 -6.515 1.00 0.00 O ATOM 0 H GLU A 8 2.896 -21.017 -4.646 1.00 0.00 H new ATOM 0 HA GLU A 8 2.894 -18.603 -2.961 1.00 0.00 H new ATOM 0 HB2 GLU A 8 3.718 -17.497 -5.021 1.00 0.00 H new ATOM 0 HB3 GLU A 8 4.770 -18.789 -4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.726 -19.834 -6.293 1.00 0.00 H new ATOM 0 HG3 GLU A 8 3.592 -18.508 -7.044 1.00 0.00 H new ATOM 81 N LYS A 9 0.882 -17.474 -3.877 1.00 0.00 N ATOM 82 CA LYS A 9 -0.417 -16.929 -4.233 1.00 0.00 C ATOM 83 C LYS A 9 -0.404 -15.414 -4.023 1.00 0.00 C ATOM 84 O LYS A 9 -1.225 -14.879 -3.280 1.00 0.00 O ATOM 85 CB LYS A 9 -1.528 -17.647 -3.465 1.00 0.00 C ATOM 86 CG LYS A 9 -1.581 -19.130 -3.836 1.00 0.00 C ATOM 87 CD LYS A 9 -2.834 -19.795 -3.261 1.00 0.00 C ATOM 88 CE LYS A 9 -2.756 -19.883 -1.736 1.00 0.00 C ATOM 89 NZ LYS A 9 -2.863 -21.291 -1.292 1.00 0.00 N ATOM 0 H LYS A 9 1.409 -16.916 -3.206 1.00 0.00 H new ATOM 0 HA LYS A 9 -0.627 -17.103 -5.288 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.360 -17.542 -2.393 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.488 -17.179 -3.684 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -1.573 -19.238 -4.921 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.692 -19.635 -3.459 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -3.718 -19.227 -3.551 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.945 -20.794 -3.681 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.815 -19.457 -1.389 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.557 -19.293 -1.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -2.808 -21.333 -0.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -3.772 -21.686 -1.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -2.084 -21.845 -1.702 1.00 0.00 H new ATOM 103 N THR A 10 0.537 -14.763 -4.692 1.00 0.00 N ATOM 104 CA THR A 10 0.667 -13.320 -4.589 1.00 0.00 C ATOM 105 C THR A 10 0.511 -12.670 -5.965 1.00 0.00 C ATOM 106 O THR A 10 0.825 -13.284 -6.984 1.00 0.00 O ATOM 107 CB THR A 10 2.008 -13.013 -3.920 1.00 0.00 C ATOM 108 OG1 THR A 10 2.899 -13.981 -4.468 1.00 0.00 O ATOM 109 CG2 THR A 10 1.999 -13.321 -2.421 1.00 0.00 C ATOM 0 H THR A 10 1.217 -15.209 -5.308 1.00 0.00 H new ATOM 0 HA THR A 10 -0.125 -12.895 -3.973 1.00 0.00 H new ATOM 0 HB THR A 10 2.258 -11.963 -4.073 1.00 0.00 H new ATOM 0 HG1 THR A 10 3.794 -13.853 -4.089 1.00 0.00 H new ATOM 0 HG21 THR A 10 2.974 -13.085 -1.995 1.00 0.00 H new ATOM 0 HG22 THR A 10 1.234 -12.719 -1.930 1.00 0.00 H new ATOM 0 HG23 THR A 10 1.782 -14.378 -2.268 1.00 0.00 H new ATOM 117 N VAL A 11 0.027 -11.437 -5.951 1.00 0.00 N ATOM 118 CA VAL A 11 -0.174 -10.697 -7.185 1.00 0.00 C ATOM 119 C VAL A 11 0.814 -9.530 -7.241 1.00 0.00 C ATOM 120 O VAL A 11 1.207 -8.994 -6.206 1.00 0.00 O ATOM 121 CB VAL A 11 -1.633 -10.252 -7.296 1.00 0.00 C ATOM 122 CG1 VAL A 11 -2.562 -11.456 -7.467 1.00 0.00 C ATOM 123 CG2 VAL A 11 -2.043 -9.409 -6.087 1.00 0.00 C ATOM 0 H VAL A 11 -0.232 -10.931 -5.104 1.00 0.00 H new ATOM 0 HA VAL A 11 0.024 -11.332 -8.048 1.00 0.00 H new ATOM 0 HB VAL A 11 -1.726 -9.629 -8.185 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -3.593 -11.112 -7.543 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -2.292 -11.998 -8.373 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -2.463 -12.117 -6.606 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -3.085 -9.106 -6.191 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.926 -9.997 -5.177 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.411 -8.523 -6.030 1.00 0.00 H new ATOM 133 N ARG A 12 1.185 -9.169 -8.461 1.00 0.00 N ATOM 134 CA ARG A 12 2.119 -8.075 -8.666 1.00 0.00 C ATOM 135 C ARG A 12 1.400 -6.731 -8.530 1.00 0.00 C ATOM 136 O ARG A 12 0.542 -6.398 -9.346 1.00 0.00 O ATOM 137 CB ARG A 12 2.772 -8.159 -10.047 1.00 0.00 C ATOM 138 CG ARG A 12 1.765 -7.832 -11.151 1.00 0.00 C ATOM 139 CD ARG A 12 2.199 -8.438 -12.487 1.00 0.00 C ATOM 140 NE ARG A 12 1.064 -8.435 -13.436 1.00 0.00 N ATOM 141 CZ ARG A 12 1.052 -9.110 -14.594 1.00 0.00 C ATOM 142 NH1 ARG A 12 2.113 -9.846 -14.952 1.00 0.00 N ATOM 143 NH2 ARG A 12 -0.022 -9.049 -15.393 1.00 0.00 N ATOM 0 H ARG A 12 0.856 -9.615 -9.317 1.00 0.00 H new ATOM 0 HA ARG A 12 2.895 -8.155 -7.905 1.00 0.00 H new ATOM 0 HB2 ARG A 12 3.612 -7.466 -10.099 1.00 0.00 H new ATOM 0 HB3 ARG A 12 3.175 -9.160 -10.202 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.782 -8.215 -10.876 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.669 -6.751 -11.252 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.031 -7.869 -12.901 1.00 0.00 H new ATOM 0 HD3 ARG A 12 2.554 -9.457 -12.335 1.00 0.00 H new ATOM 0 HE ARG A 12 0.240 -7.885 -13.194 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.930 -9.893 -14.343 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.104 -10.360 -15.833 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.830 -8.489 -15.120 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.032 -9.562 -16.274 1.00 0.00 H new ATOM 157 N VAL A 13 1.777 -5.996 -7.494 1.00 0.00 N ATOM 158 CA VAL A 13 1.179 -4.696 -7.242 1.00 0.00 C ATOM 159 C VAL A 13 2.200 -3.600 -7.554 1.00 0.00 C ATOM 160 O VAL A 13 3.400 -3.792 -7.362 1.00 0.00 O ATOM 161 CB VAL A 13 0.653 -4.632 -5.807 1.00 0.00 C ATOM 162 CG1 VAL A 13 0.282 -3.198 -5.422 1.00 0.00 C ATOM 163 CG2 VAL A 13 -0.536 -5.576 -5.616 1.00 0.00 C ATOM 0 H VAL A 13 2.489 -6.276 -6.820 1.00 0.00 H new ATOM 0 HA VAL A 13 0.322 -4.537 -7.896 1.00 0.00 H new ATOM 0 HB VAL A 13 1.452 -4.961 -5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -0.089 -3.181 -4.397 1.00 0.00 H new ATOM 0 HG12 VAL A 13 1.163 -2.561 -5.500 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.493 -2.830 -6.095 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -0.891 -5.511 -4.587 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.339 -5.291 -6.295 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -0.226 -6.599 -5.829 1.00 0.00 H new ATOM 173 N VAL A 14 1.686 -2.475 -8.030 1.00 0.00 N ATOM 174 CA VAL A 14 2.538 -1.349 -8.370 1.00 0.00 C ATOM 175 C VAL A 14 2.634 -0.406 -7.169 1.00 0.00 C ATOM 176 O VAL A 14 1.616 0.050 -6.650 1.00 0.00 O ATOM 177 CB VAL A 14 2.015 -0.659 -9.631 1.00 0.00 C ATOM 178 CG1 VAL A 14 2.752 0.658 -9.882 1.00 0.00 C ATOM 179 CG2 VAL A 14 2.117 -1.584 -10.845 1.00 0.00 C ATOM 0 H VAL A 14 0.690 -2.320 -8.188 1.00 0.00 H new ATOM 0 HA VAL A 14 3.548 -1.690 -8.597 1.00 0.00 H new ATOM 0 HB VAL A 14 0.961 -0.428 -9.473 1.00 0.00 H new ATOM 0 HG11 VAL A 14 2.361 1.128 -10.784 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.605 1.325 -9.033 1.00 0.00 H new ATOM 0 HG13 VAL A 14 3.817 0.461 -10.008 1.00 0.00 H new ATOM 0 HG21 VAL A 14 1.739 -1.069 -11.728 1.00 0.00 H new ATOM 0 HG22 VAL A 14 3.159 -1.861 -11.005 1.00 0.00 H new ATOM 0 HG23 VAL A 14 1.526 -2.483 -10.668 1.00 0.00 H new ATOM 189 N ILE A 15 3.867 -0.142 -6.761 1.00 0.00 N ATOM 190 CA ILE A 15 4.109 0.739 -5.631 1.00 0.00 C ATOM 191 C ILE A 15 4.804 2.011 -6.120 1.00 0.00 C ATOM 192 O ILE A 15 6.027 2.045 -6.246 1.00 0.00 O ATOM 193 CB ILE A 15 4.878 0.001 -4.533 1.00 0.00 C ATOM 194 CG1 ILE A 15 4.179 -1.307 -4.157 1.00 0.00 C ATOM 195 CG2 ILE A 15 5.097 0.904 -3.317 1.00 0.00 C ATOM 196 CD1 ILE A 15 2.882 -1.035 -3.393 1.00 0.00 C ATOM 0 H ILE A 15 4.709 -0.523 -7.193 1.00 0.00 H new ATOM 0 HA ILE A 15 3.166 1.046 -5.178 1.00 0.00 H new ATOM 0 HB ILE A 15 5.862 -0.261 -4.922 1.00 0.00 H new ATOM 0 HG12 ILE A 15 3.961 -1.879 -5.059 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.844 -1.917 -3.546 1.00 0.00 H new ATOM 0 HG21 ILE A 15 5.646 0.356 -2.551 1.00 0.00 H new ATOM 0 HG22 ILE A 15 5.669 1.783 -3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 15 4.132 1.217 -2.918 1.00 0.00 H new ATOM 0 HD11 ILE A 15 2.405 -1.981 -3.138 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.106 -0.484 -2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 15 2.209 -0.446 -4.016 1.00 0.00 H new ATOM 208 N ASN A 16 3.993 3.026 -6.384 1.00 0.00 N ATOM 209 CA ASN A 16 4.515 4.297 -6.856 1.00 0.00 C ATOM 210 C ASN A 16 4.929 5.151 -5.657 1.00 0.00 C ATOM 211 O ASN A 16 4.123 5.404 -4.762 1.00 0.00 O ATOM 212 CB ASN A 16 3.454 5.069 -7.643 1.00 0.00 C ATOM 213 CG ASN A 16 2.798 4.178 -8.700 1.00 0.00 C ATOM 214 OD1 ASN A 16 3.357 3.897 -9.747 1.00 0.00 O ATOM 215 ND2 ASN A 16 1.583 3.750 -8.368 1.00 0.00 N ATOM 0 H ASN A 16 2.979 2.993 -6.280 1.00 0.00 H new ATOM 0 HA ASN A 16 5.367 4.092 -7.504 1.00 0.00 H new ATOM 0 HB2 ASN A 16 2.694 5.449 -6.960 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.911 5.934 -8.124 1.00 0.00 H new ATOM 0 HD21 ASN A 16 1.062 3.149 -9.006 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.173 4.023 -7.475 1.00 0.00 H new ATOM 222 N PHE A 17 6.185 5.573 -5.677 1.00 0.00 N ATOM 223 CA PHE A 17 6.716 6.393 -4.602 1.00 0.00 C ATOM 224 C PHE A 17 7.711 7.424 -5.139 1.00 0.00 C ATOM 225 O PHE A 17 8.089 7.376 -6.308 1.00 0.00 O ATOM 226 CB PHE A 17 7.444 5.453 -3.638 1.00 0.00 C ATOM 227 CG PHE A 17 8.735 4.860 -4.205 1.00 0.00 C ATOM 228 CD1 PHE A 17 9.906 5.543 -4.087 1.00 0.00 C ATOM 229 CD2 PHE A 17 8.714 3.650 -4.826 1.00 0.00 C ATOM 230 CE1 PHE A 17 11.105 4.993 -4.612 1.00 0.00 C ATOM 231 CE2 PHE A 17 9.913 3.100 -5.351 1.00 0.00 C ATOM 232 CZ PHE A 17 11.083 3.783 -5.233 1.00 0.00 C ATOM 0 H PHE A 17 6.850 5.362 -6.421 1.00 0.00 H new ATOM 0 HA PHE A 17 5.906 6.931 -4.110 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.677 5.997 -2.723 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.773 4.640 -3.363 1.00 0.00 H new ATOM 0 HD1 PHE A 17 9.923 6.504 -3.594 1.00 0.00 H new ATOM 0 HD2 PHE A 17 7.785 3.107 -4.920 1.00 0.00 H new ATOM 0 HE1 PHE A 17 12.034 5.535 -4.518 1.00 0.00 H new ATOM 0 HE2 PHE A 17 9.896 2.139 -5.844 1.00 0.00 H new ATOM 0 HZ PHE A 17 11.995 3.365 -5.632 1.00 0.00 H new ATOM 242 N LYS A 18 8.107 8.331 -4.258 1.00 0.00 N ATOM 243 CA LYS A 18 9.051 9.372 -4.629 1.00 0.00 C ATOM 244 C LYS A 18 8.387 10.325 -5.625 1.00 0.00 C ATOM 245 O LYS A 18 9.050 11.184 -6.204 1.00 0.00 O ATOM 246 CB LYS A 18 10.353 8.755 -5.144 1.00 0.00 C ATOM 247 CG LYS A 18 11.312 8.458 -3.989 1.00 0.00 C ATOM 248 CD LYS A 18 12.391 9.537 -3.881 1.00 0.00 C ATOM 249 CE LYS A 18 13.596 9.030 -3.086 1.00 0.00 C ATOM 250 NZ LYS A 18 14.859 9.435 -3.743 1.00 0.00 N ATOM 0 H LYS A 18 7.792 8.367 -3.289 1.00 0.00 H new ATOM 0 HA LYS A 18 9.328 9.964 -3.757 1.00 0.00 H new ATOM 0 HB2 LYS A 18 10.134 7.835 -5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 18 10.828 9.436 -5.850 1.00 0.00 H new ATOM 0 HG2 LYS A 18 10.754 8.401 -3.054 1.00 0.00 H new ATOM 0 HG3 LYS A 18 11.779 7.485 -4.141 1.00 0.00 H new ATOM 0 HD2 LYS A 18 12.710 9.839 -4.879 1.00 0.00 H new ATOM 0 HD3 LYS A 18 11.978 10.422 -3.397 1.00 0.00 H new ATOM 0 HE2 LYS A 18 13.563 9.428 -2.072 1.00 0.00 H new ATOM 0 HE3 LYS A 18 13.554 7.944 -3.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 15.666 9.083 -3.190 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 14.895 9.035 -4.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 14.904 10.473 -3.799 1.00 0.00 H new ATOM 264 N LYS A 19 7.086 10.142 -5.793 1.00 0.00 N ATOM 265 CA LYS A 19 6.325 10.976 -6.708 1.00 0.00 C ATOM 266 C LYS A 19 6.925 10.864 -8.111 1.00 0.00 C ATOM 267 O LYS A 19 7.124 11.873 -8.787 1.00 0.00 O ATOM 268 CB LYS A 19 6.245 12.411 -6.186 1.00 0.00 C ATOM 269 CG LYS A 19 5.029 12.597 -5.276 1.00 0.00 C ATOM 270 CD LYS A 19 4.477 14.020 -5.382 1.00 0.00 C ATOM 271 CE LYS A 19 2.972 14.005 -5.655 1.00 0.00 C ATOM 272 NZ LYS A 19 2.612 15.059 -6.630 1.00 0.00 N ATOM 0 H LYS A 19 6.539 9.428 -5.311 1.00 0.00 H new ATOM 0 HA LYS A 19 5.294 10.628 -6.773 1.00 0.00 H new ATOM 0 HB2 LYS A 19 7.155 12.653 -5.637 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.185 13.104 -7.025 1.00 0.00 H new ATOM 0 HG2 LYS A 19 4.254 11.881 -5.549 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.308 12.387 -4.243 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.677 14.561 -4.457 1.00 0.00 H new ATOM 0 HD3 LYS A 19 4.990 14.554 -6.182 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.676 13.029 -6.040 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.426 14.160 -4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 1.599 15.280 -6.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.171 15.915 -6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.813 14.724 -7.594 1.00 0.00 H new ATOM 286 N THR A 20 7.197 9.630 -8.508 1.00 0.00 N ATOM 287 CA THR A 20 7.771 9.374 -9.818 1.00 0.00 C ATOM 288 C THR A 20 8.261 7.928 -9.912 1.00 0.00 C ATOM 289 O THR A 20 7.980 7.235 -10.889 1.00 0.00 O ATOM 290 CB THR A 20 8.873 10.407 -10.062 1.00 0.00 C ATOM 291 OG1 THR A 20 9.821 9.718 -10.872 1.00 0.00 O ATOM 292 CG2 THR A 20 9.649 10.747 -8.788 1.00 0.00 C ATOM 0 H THR A 20 7.030 8.796 -7.945 1.00 0.00 H new ATOM 0 HA THR A 20 7.025 9.483 -10.605 1.00 0.00 H new ATOM 0 HB THR A 20 8.434 11.316 -10.473 1.00 0.00 H new ATOM 0 HG1 THR A 20 10.570 10.315 -11.079 1.00 0.00 H new ATOM 0 HG21 THR A 20 10.419 11.484 -9.017 1.00 0.00 H new ATOM 0 HG22 THR A 20 8.965 11.155 -8.044 1.00 0.00 H new ATOM 0 HG23 THR A 20 10.117 9.844 -8.395 1.00 0.00 H new ATOM 300 N GLN A 21 8.987 7.515 -8.883 1.00 0.00 N ATOM 301 CA GLN A 21 9.520 6.164 -8.838 1.00 0.00 C ATOM 302 C GLN A 21 8.407 5.165 -8.511 1.00 0.00 C ATOM 303 O GLN A 21 7.448 5.504 -7.820 1.00 0.00 O ATOM 304 CB GLN A 21 10.664 6.059 -7.827 1.00 0.00 C ATOM 305 CG GLN A 21 11.730 7.123 -8.095 1.00 0.00 C ATOM 306 CD GLN A 21 13.069 6.726 -7.470 1.00 0.00 C ATOM 307 OE1 GLN A 21 13.343 6.985 -6.310 1.00 0.00 O ATOM 308 NE2 GLN A 21 13.886 6.086 -8.302 1.00 0.00 N ATOM 0 H GLN A 21 9.218 8.092 -8.074 1.00 0.00 H new ATOM 0 HA GLN A 21 9.924 5.921 -9.821 1.00 0.00 H new ATOM 0 HB2 GLN A 21 10.273 6.177 -6.816 1.00 0.00 H new ATOM 0 HB3 GLN A 21 11.113 5.067 -7.882 1.00 0.00 H new ATOM 0 HG2 GLN A 21 11.852 7.258 -9.170 1.00 0.00 H new ATOM 0 HG3 GLN A 21 11.404 8.080 -7.688 1.00 0.00 H new ATOM 0 HE21 GLN A 21 13.594 5.901 -9.262 1.00 0.00 H new ATOM 0 HE22 GLN A 21 14.804 5.780 -7.980 1.00 0.00 H new ATOM 317 N LYS A 22 8.573 3.955 -9.024 1.00 0.00 N ATOM 318 CA LYS A 22 7.594 2.905 -8.796 1.00 0.00 C ATOM 319 C LYS A 22 8.314 1.560 -8.681 1.00 0.00 C ATOM 320 O LYS A 22 9.396 1.381 -9.238 1.00 0.00 O ATOM 321 CB LYS A 22 6.514 2.935 -9.879 1.00 0.00 C ATOM 322 CG LYS A 22 7.138 3.004 -11.274 1.00 0.00 C ATOM 323 CD LYS A 22 6.568 1.915 -12.185 1.00 0.00 C ATOM 324 CE LYS A 22 6.120 2.501 -13.526 1.00 0.00 C ATOM 325 NZ LYS A 22 5.431 1.472 -14.336 1.00 0.00 N ATOM 0 H LYS A 22 9.370 3.678 -9.597 1.00 0.00 H new ATOM 0 HA LYS A 22 7.071 3.069 -7.854 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.890 2.045 -9.800 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.863 3.796 -9.725 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.950 3.984 -11.712 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.219 2.890 -11.198 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.322 1.146 -12.354 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.723 1.431 -11.695 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.452 3.346 -13.356 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.984 2.882 -14.070 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.133 1.886 -15.243 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.079 0.679 -14.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.595 1.128 -13.822 1.00 0.00 H new ATOM 339 N THR A 23 7.683 0.648 -7.956 1.00 0.00 N ATOM 340 CA THR A 23 8.250 -0.676 -7.761 1.00 0.00 C ATOM 341 C THR A 23 7.142 -1.731 -7.728 1.00 0.00 C ATOM 342 O THR A 23 6.017 -1.442 -7.322 1.00 0.00 O ATOM 343 CB THR A 23 9.097 -0.645 -6.487 1.00 0.00 C ATOM 344 OG1 THR A 23 9.648 -1.957 -6.405 1.00 0.00 O ATOM 345 CG2 THR A 23 8.247 -0.517 -5.221 1.00 0.00 C ATOM 0 H THR A 23 6.785 0.800 -7.497 1.00 0.00 H new ATOM 0 HA THR A 23 8.897 -0.955 -8.592 1.00 0.00 H new ATOM 0 HB THR A 23 9.799 0.188 -6.538 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.213 -2.025 -5.607 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.897 -0.500 -4.346 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.670 0.407 -5.262 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.568 -1.367 -5.151 1.00 0.00 H new ATOM 353 N ILE A 24 7.499 -2.931 -8.161 1.00 0.00 N ATOM 354 CA ILE A 24 6.549 -4.030 -8.186 1.00 0.00 C ATOM 355 C ILE A 24 6.892 -5.021 -7.073 1.00 0.00 C ATOM 356 O ILE A 24 8.065 -5.264 -6.793 1.00 0.00 O ATOM 357 CB ILE A 24 6.498 -4.662 -9.579 1.00 0.00 C ATOM 358 CG1 ILE A 24 5.967 -3.668 -10.613 1.00 0.00 C ATOM 359 CG2 ILE A 24 5.688 -5.960 -9.562 1.00 0.00 C ATOM 360 CD1 ILE A 24 4.491 -3.353 -10.364 1.00 0.00 C ATOM 0 H ILE A 24 8.433 -3.166 -8.497 1.00 0.00 H new ATOM 0 HA ILE A 24 5.540 -3.666 -7.989 1.00 0.00 H new ATOM 0 HB ILE A 24 7.515 -4.921 -9.875 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.551 -2.748 -10.572 1.00 0.00 H new ATOM 0 HG13 ILE A 24 6.091 -4.079 -11.615 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.667 -6.389 -10.564 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.150 -6.668 -8.874 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.669 -5.749 -9.236 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.139 -2.644 -11.113 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.907 -4.271 -10.430 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.374 -2.919 -9.371 1.00 0.00 H new ATOM 372 N VAL A 25 5.848 -5.567 -6.467 1.00 0.00 N ATOM 373 CA VAL A 25 6.025 -6.527 -5.390 1.00 0.00 C ATOM 374 C VAL A 25 4.925 -7.588 -5.473 1.00 0.00 C ATOM 375 O VAL A 25 3.835 -7.319 -5.976 1.00 0.00 O ATOM 376 CB VAL A 25 6.056 -5.802 -4.043 1.00 0.00 C ATOM 377 CG1 VAL A 25 7.167 -4.750 -4.012 1.00 0.00 C ATOM 378 CG2 VAL A 25 4.697 -5.173 -3.727 1.00 0.00 C ATOM 0 H VAL A 25 4.876 -5.363 -6.701 1.00 0.00 H new ATOM 0 HA VAL A 25 6.981 -7.041 -5.489 1.00 0.00 H new ATOM 0 HB VAL A 25 6.271 -6.540 -3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.167 -4.249 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.131 -5.234 -4.171 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.995 -4.016 -4.800 1.00 0.00 H new ATOM 0 HG21 VAL A 25 4.747 -4.664 -2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.439 -4.454 -4.505 1.00 0.00 H new ATOM 0 HG23 VAL A 25 3.936 -5.952 -3.687 1.00 0.00 H new ATOM 388 N ARG A 26 5.250 -8.770 -4.971 1.00 0.00 N ATOM 389 CA ARG A 26 4.304 -9.873 -4.982 1.00 0.00 C ATOM 390 C ARG A 26 3.690 -10.059 -3.593 1.00 0.00 C ATOM 391 O ARG A 26 4.359 -10.525 -2.672 1.00 0.00 O ATOM 392 CB ARG A 26 4.981 -11.176 -5.412 1.00 0.00 C ATOM 393 CG ARG A 26 4.424 -11.668 -6.749 1.00 0.00 C ATOM 394 CD ARG A 26 5.495 -12.416 -7.547 1.00 0.00 C ATOM 395 NE ARG A 26 4.870 -13.498 -8.340 1.00 0.00 N ATOM 396 CZ ARG A 26 4.098 -13.291 -9.416 1.00 0.00 C ATOM 397 NH1 ARG A 26 3.850 -12.042 -9.832 1.00 0.00 N ATOM 398 NH2 ARG A 26 3.574 -14.333 -10.075 1.00 0.00 N ATOM 0 H ARG A 26 6.155 -8.988 -4.554 1.00 0.00 H new ATOM 0 HA ARG A 26 3.521 -9.631 -5.700 1.00 0.00 H new ATOM 0 HB2 ARG A 26 6.056 -11.020 -5.497 1.00 0.00 H new ATOM 0 HB3 ARG A 26 4.829 -11.938 -4.648 1.00 0.00 H new ATOM 0 HG2 ARG A 26 3.572 -12.324 -6.573 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.059 -10.820 -7.329 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.017 -11.724 -8.208 1.00 0.00 H new ATOM 0 HD3 ARG A 26 6.240 -12.834 -6.870 1.00 0.00 H new ATOM 0 HE ARG A 26 5.037 -14.461 -8.050 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.249 -11.249 -9.330 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.263 -11.884 -10.651 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.762 -15.284 -9.758 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.987 -14.175 -10.894 1.00 0.00 H new ATOM 412 N VAL A 27 2.423 -9.686 -3.486 1.00 0.00 N ATOM 413 CA VAL A 27 1.712 -9.806 -2.224 1.00 0.00 C ATOM 414 C VAL A 27 0.327 -10.404 -2.480 1.00 0.00 C ATOM 415 O VAL A 27 -0.136 -10.443 -3.619 1.00 0.00 O ATOM 416 CB VAL A 27 1.656 -8.447 -1.524 1.00 0.00 C ATOM 417 CG1 VAL A 27 2.947 -8.175 -0.750 1.00 0.00 C ATOM 418 CG2 VAL A 27 1.369 -7.325 -2.524 1.00 0.00 C ATOM 0 H VAL A 27 1.871 -9.301 -4.252 1.00 0.00 H new ATOM 0 HA VAL A 27 2.239 -10.482 -1.551 1.00 0.00 H new ATOM 0 HB VAL A 27 0.835 -8.474 -0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.881 -7.203 -0.262 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.090 -8.950 0.003 1.00 0.00 H new ATOM 0 HG13 VAL A 27 3.792 -8.178 -1.439 1.00 0.00 H new ATOM 0 HG21 VAL A 27 1.335 -6.370 -1.999 1.00 0.00 H new ATOM 0 HG22 VAL A 27 2.157 -7.298 -3.276 1.00 0.00 H new ATOM 0 HG23 VAL A 27 0.410 -7.507 -3.010 1.00 0.00 H new ATOM 428 N SER A 28 -0.295 -10.857 -1.401 1.00 0.00 N ATOM 429 CA SER A 28 -1.617 -11.452 -1.494 1.00 0.00 C ATOM 430 C SER A 28 -2.677 -10.355 -1.620 1.00 0.00 C ATOM 431 O SER A 28 -2.652 -9.375 -0.878 1.00 0.00 O ATOM 432 CB SER A 28 -1.910 -12.335 -0.280 1.00 0.00 C ATOM 433 OG SER A 28 -2.174 -13.685 -0.653 1.00 0.00 O ATOM 0 H SER A 28 0.092 -10.824 -0.458 1.00 0.00 H new ATOM 0 HA SER A 28 -1.647 -12.082 -2.383 1.00 0.00 H new ATOM 0 HB2 SER A 28 -1.060 -12.307 0.402 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.767 -11.934 0.261 1.00 0.00 H new ATOM 0 HG SER A 28 -1.729 -13.882 -1.504 1.00 0.00 H new ATOM 439 N PRO A 29 -3.606 -10.563 -2.591 1.00 0.00 N ATOM 440 CA PRO A 29 -4.672 -9.603 -2.824 1.00 0.00 C ATOM 441 C PRO A 29 -5.741 -9.695 -1.733 1.00 0.00 C ATOM 442 O PRO A 29 -6.583 -8.808 -1.607 1.00 0.00 O ATOM 443 CB PRO A 29 -5.206 -9.936 -4.208 1.00 0.00 C ATOM 444 CG PRO A 29 -4.739 -11.352 -4.505 1.00 0.00 C ATOM 445 CD PRO A 29 -3.667 -11.712 -3.489 1.00 0.00 C ATOM 0 HA PRO A 29 -4.324 -8.571 -2.783 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -6.294 -9.870 -4.233 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -4.827 -9.235 -4.952 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -5.574 -12.050 -4.443 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -4.343 -11.419 -5.518 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -3.924 -12.623 -2.949 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -2.706 -11.888 -3.973 1.00 0.00 H new ATOM 453 N HIS A 30 -5.672 -10.778 -0.971 1.00 0.00 N ATOM 454 CA HIS A 30 -6.623 -10.997 0.105 1.00 0.00 C ATOM 455 C HIS A 30 -6.324 -10.038 1.258 1.00 0.00 C ATOM 456 O HIS A 30 -7.136 -9.170 1.576 1.00 0.00 O ATOM 457 CB HIS A 30 -6.623 -12.465 0.539 1.00 0.00 C ATOM 458 CG HIS A 30 -6.873 -13.438 -0.588 1.00 0.00 C ATOM 459 ND1 HIS A 30 -8.099 -13.557 -1.219 1.00 0.00 N ATOM 460 CD2 HIS A 30 -6.042 -14.336 -1.191 1.00 0.00 C ATOM 461 CE1 HIS A 30 -7.999 -14.487 -2.156 1.00 0.00 C ATOM 462 NE2 HIS A 30 -6.724 -14.970 -2.137 1.00 0.00 N ATOM 0 H HIS A 30 -4.972 -11.512 -1.078 1.00 0.00 H new ATOM 0 HA HIS A 30 -7.632 -10.782 -0.247 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -5.663 -12.697 1.000 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -7.386 -12.607 1.304 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -5.005 -14.503 -0.941 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -8.789 -14.807 -2.819 1.00 0.00 H new ATOM 0 HE2 HIS A 30 -6.355 -15.698 -2.749 1.00 0.00 H new ATOM 470 N ALA A 31 -5.155 -10.227 1.854 1.00 0.00 N ATOM 471 CA ALA A 31 -4.738 -9.389 2.966 1.00 0.00 C ATOM 472 C ALA A 31 -5.116 -7.935 2.673 1.00 0.00 C ATOM 473 O ALA A 31 -5.230 -7.541 1.513 1.00 0.00 O ATOM 474 CB ALA A 31 -3.237 -9.564 3.202 1.00 0.00 C ATOM 0 H ALA A 31 -4.484 -10.948 1.588 1.00 0.00 H new ATOM 0 HA ALA A 31 -5.249 -9.685 3.882 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.924 -8.936 4.036 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -3.024 -10.608 3.434 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -2.691 -9.274 2.304 1.00 0.00 H new ATOM 480 N SER A 32 -5.300 -7.178 3.744 1.00 0.00 N ATOM 481 CA SER A 32 -5.663 -5.777 3.617 1.00 0.00 C ATOM 482 C SER A 32 -4.403 -4.909 3.599 1.00 0.00 C ATOM 483 O SER A 32 -3.373 -5.293 4.150 1.00 0.00 O ATOM 484 CB SER A 32 -6.590 -5.342 4.755 1.00 0.00 C ATOM 485 OG SER A 32 -7.326 -6.438 5.291 1.00 0.00 O ATOM 0 H SER A 32 -5.204 -7.508 4.704 1.00 0.00 H new ATOM 0 HA SER A 32 -6.200 -5.647 2.677 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.000 -4.879 5.546 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.283 -4.584 4.389 1.00 0.00 H new ATOM 0 HG SER A 32 -7.904 -6.120 6.016 1.00 0.00 H new ATOM 491 N LEU A 33 -4.526 -3.756 2.958 1.00 0.00 N ATOM 492 CA LEU A 33 -3.410 -2.831 2.861 1.00 0.00 C ATOM 493 C LEU A 33 -2.818 -2.605 4.253 1.00 0.00 C ATOM 494 O LEU A 33 -1.628 -2.321 4.387 1.00 0.00 O ATOM 495 CB LEU A 33 -3.842 -1.542 2.159 1.00 0.00 C ATOM 496 CG LEU A 33 -4.401 -1.703 0.744 1.00 0.00 C ATOM 497 CD1 LEU A 33 -5.379 -0.576 0.409 1.00 0.00 C ATOM 498 CD2 LEU A 33 -3.271 -1.806 -0.283 1.00 0.00 C ATOM 0 H LEU A 33 -5.382 -3.441 2.501 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.618 -3.253 2.242 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -4.598 -1.053 2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.984 -0.871 2.115 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.961 -2.637 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.761 -0.715 -0.602 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.209 -0.592 1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.865 0.383 0.474 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.695 -1.920 -1.281 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.664 -0.901 -0.248 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -2.648 -2.670 -0.053 1.00 0.00 H new ATOM 510 N GLN A 34 -3.675 -2.738 5.255 1.00 0.00 N ATOM 511 CA GLN A 34 -3.251 -2.552 6.632 1.00 0.00 C ATOM 512 C GLN A 34 -2.124 -3.527 6.977 1.00 0.00 C ATOM 513 O GLN A 34 -1.223 -3.193 7.746 1.00 0.00 O ATOM 514 CB GLN A 34 -4.429 -2.712 7.595 1.00 0.00 C ATOM 515 CG GLN A 34 -3.943 -3.054 9.004 1.00 0.00 C ATOM 516 CD GLN A 34 -4.952 -2.594 10.059 1.00 0.00 C ATOM 517 OE1 GLN A 34 -5.449 -1.480 10.036 1.00 0.00 O ATOM 518 NE2 GLN A 34 -5.225 -3.512 10.982 1.00 0.00 N ATOM 0 H GLN A 34 -4.661 -2.972 5.140 1.00 0.00 H new ATOM 0 HA GLN A 34 -2.871 -1.536 6.740 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.010 -1.790 7.621 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -5.093 -3.498 7.235 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -3.788 -4.130 9.088 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -2.979 -2.578 9.186 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -4.773 -4.426 10.942 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -5.886 -3.302 11.730 1.00 0.00 H new ATOM 527 N GLU A 35 -2.211 -4.713 6.393 1.00 0.00 N ATOM 528 CA GLU A 35 -1.210 -5.739 6.629 1.00 0.00 C ATOM 529 C GLU A 35 -0.134 -5.692 5.542 1.00 0.00 C ATOM 530 O GLU A 35 0.973 -6.190 5.737 1.00 0.00 O ATOM 531 CB GLU A 35 -1.853 -7.125 6.705 1.00 0.00 C ATOM 532 CG GLU A 35 -2.229 -7.477 8.146 1.00 0.00 C ATOM 533 CD GLU A 35 -1.031 -8.060 8.899 1.00 0.00 C ATOM 534 OE1 GLU A 35 -0.200 -7.248 9.359 1.00 0.00 O ATOM 535 OE2 GLU A 35 -0.974 -9.305 8.997 1.00 0.00 O ATOM 0 H GLU A 35 -2.960 -4.986 5.757 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.736 -5.542 7.590 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.743 -7.152 6.076 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.163 -7.872 6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -2.587 -6.585 8.660 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -3.048 -8.196 8.147 1.00 0.00 H new ATOM 542 N LEU A 36 -0.499 -5.089 4.420 1.00 0.00 N ATOM 543 CA LEU A 36 0.421 -4.970 3.301 1.00 0.00 C ATOM 544 C LEU A 36 1.088 -3.594 3.339 1.00 0.00 C ATOM 545 O LEU A 36 1.761 -3.200 2.388 1.00 0.00 O ATOM 546 CB LEU A 36 -0.297 -5.270 1.984 1.00 0.00 C ATOM 547 CG LEU A 36 -0.959 -6.645 1.878 1.00 0.00 C ATOM 548 CD1 LEU A 36 -1.878 -6.719 0.658 1.00 0.00 C ATOM 549 CD2 LEU A 36 0.089 -7.760 1.875 1.00 0.00 C ATOM 0 H LEU A 36 -1.419 -4.678 4.262 1.00 0.00 H new ATOM 0 HA LEU A 36 1.216 -5.712 3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.061 -4.508 1.828 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.422 -5.171 1.171 1.00 0.00 H new ATOM 0 HG LEU A 36 -1.583 -6.792 2.760 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.336 -7.707 0.607 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -2.658 -5.962 0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.297 -6.541 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -0.409 -8.727 1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.758 -7.628 1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.665 -7.720 2.799 1.00 0.00 H new ATOM 561 N ALA A 37 0.878 -2.900 4.448 1.00 0.00 N ATOM 562 CA ALA A 37 1.451 -1.576 4.622 1.00 0.00 C ATOM 563 C ALA A 37 2.962 -1.701 4.822 1.00 0.00 C ATOM 564 O ALA A 37 3.739 -1.014 4.161 1.00 0.00 O ATOM 565 CB ALA A 37 0.763 -0.872 5.794 1.00 0.00 C ATOM 0 H ALA A 37 0.319 -3.230 5.235 1.00 0.00 H new ATOM 0 HA ALA A 37 1.286 -0.966 3.734 1.00 0.00 H new ATOM 0 HB1 ALA A 37 1.193 0.121 5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -0.304 -0.782 5.589 1.00 0.00 H new ATOM 0 HB3 ALA A 37 0.909 -1.453 6.704 1.00 0.00 H new ATOM 571 N PRO A 38 3.344 -2.607 5.762 1.00 0.00 N ATOM 572 CA PRO A 38 4.749 -2.832 6.058 1.00 0.00 C ATOM 573 C PRO A 38 5.420 -3.646 4.950 1.00 0.00 C ATOM 574 O PRO A 38 6.551 -3.360 4.562 1.00 0.00 O ATOM 575 CB PRO A 38 4.760 -3.538 7.404 1.00 0.00 C ATOM 576 CG PRO A 38 3.359 -4.097 7.592 1.00 0.00 C ATOM 577 CD PRO A 38 2.452 -3.439 6.564 1.00 0.00 C ATOM 0 HA PRO A 38 5.322 -1.906 6.105 1.00 0.00 H new ATOM 0 HB2 PRO A 38 5.504 -4.334 7.421 1.00 0.00 H new ATOM 0 HB3 PRO A 38 5.015 -2.846 8.206 1.00 0.00 H new ATOM 0 HG2 PRO A 38 3.360 -5.179 7.463 1.00 0.00 H new ATOM 0 HG3 PRO A 38 3.000 -3.896 8.602 1.00 0.00 H new ATOM 0 HD2 PRO A 38 1.945 -4.183 5.949 1.00 0.00 H new ATOM 0 HD3 PRO A 38 1.678 -2.841 7.044 1.00 0.00 H new ATOM 585 N ILE A 39 4.693 -4.645 4.472 1.00 0.00 N ATOM 586 CA ILE A 39 5.203 -5.503 3.416 1.00 0.00 C ATOM 587 C ILE A 39 5.516 -4.655 2.182 1.00 0.00 C ATOM 588 O ILE A 39 6.391 -5.003 1.390 1.00 0.00 O ATOM 589 CB ILE A 39 4.231 -6.652 3.142 1.00 0.00 C ATOM 590 CG1 ILE A 39 4.239 -7.663 4.291 1.00 0.00 C ATOM 591 CG2 ILE A 39 4.528 -7.313 1.795 1.00 0.00 C ATOM 592 CD1 ILE A 39 2.822 -7.914 4.811 1.00 0.00 C ATOM 0 H ILE A 39 3.755 -4.880 4.796 1.00 0.00 H new ATOM 0 HA ILE A 39 6.136 -5.973 3.725 1.00 0.00 H new ATOM 0 HB ILE A 39 3.224 -6.240 3.083 1.00 0.00 H new ATOM 0 HG12 ILE A 39 4.677 -8.602 3.951 1.00 0.00 H new ATOM 0 HG13 ILE A 39 4.867 -7.293 5.101 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.822 -8.126 1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.430 -6.576 0.998 1.00 0.00 H new ATOM 0 HG23 ILE A 39 5.544 -7.709 1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.856 -8.636 5.627 1.00 0.00 H new ATOM 0 HD12 ILE A 39 2.396 -6.978 5.172 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.203 -8.307 4.005 1.00 0.00 H new ATOM 604 N ILE A 40 4.784 -3.558 2.056 1.00 0.00 N ATOM 605 CA ILE A 40 4.972 -2.657 0.932 1.00 0.00 C ATOM 606 C ILE A 40 6.055 -1.634 1.279 1.00 0.00 C ATOM 607 O ILE A 40 7.061 -1.526 0.578 1.00 0.00 O ATOM 608 CB ILE A 40 3.640 -2.027 0.521 1.00 0.00 C ATOM 609 CG1 ILE A 40 2.774 -3.027 -0.247 1.00 0.00 C ATOM 610 CG2 ILE A 40 3.865 -0.737 -0.270 1.00 0.00 C ATOM 611 CD1 ILE A 40 1.339 -2.515 -0.389 1.00 0.00 C ATOM 0 H ILE A 40 4.059 -3.273 2.714 1.00 0.00 H new ATOM 0 HA ILE A 40 5.321 -3.207 0.058 1.00 0.00 H new ATOM 0 HB ILE A 40 3.095 -1.759 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 40 3.201 -3.200 -1.235 1.00 0.00 H new ATOM 0 HG13 ILE A 40 2.772 -3.986 0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.902 -0.309 -0.550 1.00 0.00 H new ATOM 0 HG22 ILE A 40 4.414 -0.024 0.345 1.00 0.00 H new ATOM 0 HG23 ILE A 40 4.440 -0.957 -1.170 1.00 0.00 H new ATOM 0 HD11 ILE A 40 0.745 -3.245 -0.939 1.00 0.00 H new ATOM 0 HD12 ILE A 40 0.906 -2.366 0.600 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.342 -1.569 -0.930 1.00 0.00 H new ATOM 623 N CYS A 41 5.814 -0.908 2.361 1.00 0.00 N ATOM 624 CA CYS A 41 6.756 0.103 2.810 1.00 0.00 C ATOM 625 C CYS A 41 8.131 -0.552 2.953 1.00 0.00 C ATOM 626 O CYS A 41 9.126 -0.033 2.448 1.00 0.00 O ATOM 627 CB CYS A 41 6.300 0.762 4.113 1.00 0.00 C ATOM 628 SG CYS A 41 5.610 2.421 3.767 1.00 0.00 S ATOM 0 H CYS A 41 4.979 -1.000 2.940 1.00 0.00 H new ATOM 0 HA CYS A 41 6.811 0.905 2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 41 5.549 0.141 4.601 1.00 0.00 H new ATOM 0 HB3 CYS A 41 7.141 0.845 4.802 1.00 0.00 H new ATOM 0 HG CYS A 41 4.919 2.383 2.667 1.00 0.00 H new ATOM 634 N SER A 42 8.144 -1.683 3.643 1.00 0.00 N ATOM 635 CA SER A 42 9.381 -2.415 3.859 1.00 0.00 C ATOM 636 C SER A 42 10.033 -2.748 2.515 1.00 0.00 C ATOM 637 O SER A 42 11.251 -2.658 2.374 1.00 0.00 O ATOM 638 CB SER A 42 9.132 -3.694 4.659 1.00 0.00 C ATOM 639 OG SER A 42 10.348 -4.315 5.066 1.00 0.00 O ATOM 0 H SER A 42 7.317 -2.111 4.060 1.00 0.00 H new ATOM 0 HA SER A 42 10.056 -1.783 4.437 1.00 0.00 H new ATOM 0 HB2 SER A 42 8.532 -3.460 5.539 1.00 0.00 H new ATOM 0 HB3 SER A 42 8.553 -4.392 4.055 1.00 0.00 H new ATOM 0 HG SER A 42 10.146 -5.127 5.575 1.00 0.00 H new ATOM 645 N LYS A 43 9.192 -3.125 1.563 1.00 0.00 N ATOM 646 CA LYS A 43 9.672 -3.472 0.236 1.00 0.00 C ATOM 647 C LYS A 43 10.425 -2.280 -0.357 1.00 0.00 C ATOM 648 O LYS A 43 11.438 -2.455 -1.032 1.00 0.00 O ATOM 649 CB LYS A 43 8.517 -3.966 -0.638 1.00 0.00 C ATOM 650 CG LYS A 43 8.293 -5.468 -0.452 1.00 0.00 C ATOM 651 CD LYS A 43 9.070 -6.272 -1.496 1.00 0.00 C ATOM 652 CE LYS A 43 8.510 -7.691 -1.624 1.00 0.00 C ATOM 653 NZ LYS A 43 9.447 -8.552 -2.379 1.00 0.00 N ATOM 0 H LYS A 43 8.182 -3.198 1.684 1.00 0.00 H new ATOM 0 HA LYS A 43 10.378 -4.300 0.290 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.606 -3.424 -0.383 1.00 0.00 H new ATOM 0 HB3 LYS A 43 8.732 -3.754 -1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.607 -5.765 0.549 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.230 -5.693 -0.532 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.018 -5.768 -2.461 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.123 -6.316 -1.216 1.00 0.00 H new ATOM 0 HE2 LYS A 43 8.339 -8.111 -0.633 1.00 0.00 H new ATOM 0 HE3 LYS A 43 7.545 -7.663 -2.130 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 9.052 -9.511 -2.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 9.590 -8.158 -3.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 10.359 -8.593 -1.881 1.00 0.00 H new ATOM 667 N CYS A 44 9.901 -1.094 -0.083 1.00 0.00 N ATOM 668 CA CYS A 44 10.512 0.127 -0.582 1.00 0.00 C ATOM 669 C CYS A 44 11.315 0.761 0.556 1.00 0.00 C ATOM 670 O CYS A 44 11.647 1.944 0.502 1.00 0.00 O ATOM 671 CB CYS A 44 9.468 1.091 -1.149 1.00 0.00 C ATOM 672 SG CYS A 44 9.844 1.459 -2.902 1.00 0.00 S ATOM 0 H CYS A 44 9.061 -0.952 0.478 1.00 0.00 H new ATOM 0 HA CYS A 44 11.180 -0.109 -1.410 1.00 0.00 H new ATOM 0 HB2 CYS A 44 8.473 0.653 -1.066 1.00 0.00 H new ATOM 0 HB3 CYS A 44 9.460 2.014 -0.569 1.00 0.00 H new ATOM 0 HG CYS A 44 9.039 2.384 -3.333 1.00 0.00 H new ATOM 678 N GLU A 45 11.604 -0.054 1.560 1.00 0.00 N ATOM 679 CA GLU A 45 12.362 0.412 2.708 1.00 0.00 C ATOM 680 C GLU A 45 11.845 1.778 3.166 1.00 0.00 C ATOM 681 O GLU A 45 12.631 2.686 3.430 1.00 0.00 O ATOM 682 CB GLU A 45 13.858 0.471 2.391 1.00 0.00 C ATOM 683 CG GLU A 45 14.561 -0.815 2.830 1.00 0.00 C ATOM 684 CD GLU A 45 15.742 -0.507 3.753 1.00 0.00 C ATOM 685 OE1 GLU A 45 15.472 -0.161 4.923 1.00 0.00 O ATOM 686 OE2 GLU A 45 16.888 -0.624 3.268 1.00 0.00 O ATOM 0 H GLU A 45 11.327 -1.035 1.602 1.00 0.00 H new ATOM 0 HA GLU A 45 12.224 -0.299 3.522 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.001 0.621 1.321 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.307 1.326 2.896 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.852 -1.464 3.345 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.912 -1.359 1.953 1.00 0.00 H new ATOM 693 N PHE A 46 10.527 1.879 3.246 1.00 0.00 N ATOM 694 CA PHE A 46 9.896 3.118 3.668 1.00 0.00 C ATOM 695 C PHE A 46 9.514 3.064 5.148 1.00 0.00 C ATOM 696 O PHE A 46 9.724 2.048 5.810 1.00 0.00 O ATOM 697 CB PHE A 46 8.624 3.280 2.832 1.00 0.00 C ATOM 698 CG PHE A 46 8.804 4.153 1.588 1.00 0.00 C ATOM 699 CD1 PHE A 46 10.036 4.296 1.030 1.00 0.00 C ATOM 700 CD2 PHE A 46 7.732 4.786 1.041 1.00 0.00 C ATOM 701 CE1 PHE A 46 10.203 5.106 -0.124 1.00 0.00 C ATOM 702 CE2 PHE A 46 7.899 5.597 -0.113 1.00 0.00 C ATOM 703 CZ PHE A 46 9.131 5.739 -0.671 1.00 0.00 C ATOM 0 H PHE A 46 9.878 1.123 3.026 1.00 0.00 H new ATOM 0 HA PHE A 46 10.585 3.951 3.528 1.00 0.00 H new ATOM 0 HB2 PHE A 46 8.276 2.294 2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 46 7.843 3.713 3.457 1.00 0.00 H new ATOM 0 HD1 PHE A 46 10.887 3.793 1.465 1.00 0.00 H new ATOM 0 HD2 PHE A 46 6.754 4.672 1.484 1.00 0.00 H new ATOM 0 HE1 PHE A 46 11.181 5.219 -0.567 1.00 0.00 H new ATOM 0 HE2 PHE A 46 7.048 6.101 -0.547 1.00 0.00 H new ATOM 0 HZ PHE A 46 9.258 6.355 -1.549 1.00 0.00 H new ATOM 713 N ASP A 47 8.962 4.169 5.626 1.00 0.00 N ATOM 714 CA ASP A 47 8.550 4.260 7.016 1.00 0.00 C ATOM 715 C ASP A 47 7.023 4.189 7.097 1.00 0.00 C ATOM 716 O ASP A 47 6.335 5.151 6.760 1.00 0.00 O ATOM 717 CB ASP A 47 8.995 5.585 7.637 1.00 0.00 C ATOM 718 CG ASP A 47 8.240 5.991 8.905 1.00 0.00 C ATOM 719 OD1 ASP A 47 7.021 6.238 8.785 1.00 0.00 O ATOM 720 OD2 ASP A 47 8.900 6.045 9.965 1.00 0.00 O ATOM 0 H ASP A 47 8.790 5.010 5.075 1.00 0.00 H new ATOM 0 HA ASP A 47 9.011 3.435 7.559 1.00 0.00 H new ATOM 0 HB2 ASP A 47 10.058 5.521 7.870 1.00 0.00 H new ATOM 0 HB3 ASP A 47 8.878 6.374 6.894 1.00 0.00 H new ATOM 725 N PRO A 48 6.526 3.010 7.556 1.00 0.00 N ATOM 726 CA PRO A 48 5.094 2.801 7.685 1.00 0.00 C ATOM 727 C PRO A 48 4.538 3.548 8.899 1.00 0.00 C ATOM 728 O PRO A 48 3.337 3.508 9.161 1.00 0.00 O ATOM 729 CB PRO A 48 4.924 1.294 7.787 1.00 0.00 C ATOM 730 CG PRO A 48 6.287 0.746 8.177 1.00 0.00 C ATOM 731 CD PRO A 48 7.311 1.848 7.964 1.00 0.00 C ATOM 0 HA PRO A 48 4.534 3.196 6.837 1.00 0.00 H new ATOM 0 HB2 PRO A 48 4.171 1.035 8.532 1.00 0.00 H new ATOM 0 HB3 PRO A 48 4.591 0.873 6.838 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.285 0.423 9.218 1.00 0.00 H new ATOM 0 HG3 PRO A 48 6.534 -0.127 7.573 1.00 0.00 H new ATOM 0 HD2 PRO A 48 7.871 2.050 8.877 1.00 0.00 H new ATOM 0 HD3 PRO A 48 8.037 1.572 7.199 1.00 0.00 H new ATOM 739 N LEU A 49 5.439 4.213 9.608 1.00 0.00 N ATOM 740 CA LEU A 49 5.053 4.968 10.788 1.00 0.00 C ATOM 741 C LEU A 49 4.237 6.191 10.362 1.00 0.00 C ATOM 742 O LEU A 49 3.311 6.598 11.062 1.00 0.00 O ATOM 743 CB LEU A 49 6.284 5.313 11.629 1.00 0.00 C ATOM 744 CG LEU A 49 7.046 4.126 12.221 1.00 0.00 C ATOM 745 CD1 LEU A 49 7.670 3.270 11.117 1.00 0.00 C ATOM 746 CD2 LEU A 49 8.088 4.595 13.239 1.00 0.00 C ATOM 0 H LEU A 49 6.434 4.244 9.388 1.00 0.00 H new ATOM 0 HA LEU A 49 4.413 4.366 11.433 1.00 0.00 H new ATOM 0 HB2 LEU A 49 6.972 5.889 11.010 1.00 0.00 H new ATOM 0 HB3 LEU A 49 5.971 5.962 12.447 1.00 0.00 H new ATOM 0 HG LEU A 49 6.335 3.496 12.755 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.206 2.433 11.565 1.00 0.00 H new ATOM 0 HD12 LEU A 49 6.885 2.890 10.463 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.365 3.876 10.535 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.615 3.731 13.644 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.801 5.259 12.750 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.591 5.129 14.049 1.00 0.00 H new ATOM 758 N HIS A 50 4.611 6.741 9.216 1.00 0.00 N ATOM 759 CA HIS A 50 3.925 7.909 8.689 1.00 0.00 C ATOM 760 C HIS A 50 3.771 7.772 7.173 1.00 0.00 C ATOM 761 O HIS A 50 4.241 8.621 6.418 1.00 0.00 O ATOM 762 CB HIS A 50 4.648 9.194 9.097 1.00 0.00 C ATOM 763 CG HIS A 50 5.530 9.042 10.313 1.00 0.00 C ATOM 764 ND1 HIS A 50 6.810 8.585 10.434 1.00 0.00 N flip ATOM 765 CD2 HIS A 50 5.114 9.380 11.589 1.00 0.00 C flip ATOM 766 CE1 HIS A 50 7.157 8.642 11.713 1.00 0.00 C flip ATOM 767 NE2 HIS A 50 6.107 9.134 12.431 1.00 0.00 N flip ATOM 0 H HIS A 50 5.379 6.400 8.638 1.00 0.00 H new ATOM 0 HA HIS A 50 2.925 7.972 9.118 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.256 9.538 8.260 1.00 0.00 H new ATOM 0 HB3 HIS A 50 3.907 9.969 9.293 1.00 0.00 H new ATOM 0 HD2 HIS A 50 4.145 9.777 11.853 1.00 0.00 H new ATOM 0 HE1 HIS A 50 8.113 8.347 12.119 1.00 0.00 H new ATOM 0 HE2 HIS A 50 6.089 9.286 13.439 1.00 0.00 H new ATOM 775 N THR A 51 3.110 6.695 6.772 1.00 0.00 N ATOM 776 CA THR A 51 2.888 6.436 5.360 1.00 0.00 C ATOM 777 C THR A 51 1.390 6.349 5.063 1.00 0.00 C ATOM 778 O THR A 51 0.637 5.742 5.823 1.00 0.00 O ATOM 779 CB THR A 51 3.657 5.167 4.986 1.00 0.00 C ATOM 780 OG1 THR A 51 5.001 5.610 4.824 1.00 0.00 O ATOM 781 CG2 THR A 51 3.271 4.635 3.604 1.00 0.00 C ATOM 0 H THR A 51 2.721 5.992 7.401 1.00 0.00 H new ATOM 0 HA THR A 51 3.262 7.254 4.744 1.00 0.00 H new ATOM 0 HB THR A 51 3.474 4.397 5.736 1.00 0.00 H new ATOM 0 HG1 THR A 51 5.432 5.676 5.702 1.00 0.00 H new ATOM 0 HG21 THR A 51 3.845 3.734 3.387 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.207 4.399 3.589 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.486 5.392 2.850 1.00 0.00 H new ATOM 789 N LEU A 52 1.002 6.964 3.955 1.00 0.00 N ATOM 790 CA LEU A 52 -0.393 6.963 3.548 1.00 0.00 C ATOM 791 C LEU A 52 -0.543 6.156 2.258 1.00 0.00 C ATOM 792 O LEU A 52 0.431 5.942 1.538 1.00 0.00 O ATOM 793 CB LEU A 52 -0.920 8.396 3.442 1.00 0.00 C ATOM 794 CG LEU A 52 -1.774 8.885 4.614 1.00 0.00 C ATOM 795 CD1 LEU A 52 -2.405 10.243 4.303 1.00 0.00 C ATOM 796 CD2 LEU A 52 -2.822 7.840 5.002 1.00 0.00 C ATOM 0 H LEU A 52 1.629 7.466 3.327 1.00 0.00 H new ATOM 0 HA LEU A 52 -1.010 6.475 4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.069 9.068 3.333 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -1.510 8.479 2.529 1.00 0.00 H new ATOM 0 HG LEU A 52 -1.123 9.023 5.477 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -3.007 10.568 5.152 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.619 10.975 4.114 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -3.039 10.156 3.421 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.415 8.212 5.837 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.475 7.646 4.151 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.323 6.916 5.295 1.00 0.00 H new ATOM 808 N LEU A 53 -1.771 5.728 2.004 1.00 0.00 N ATOM 809 CA LEU A 53 -2.061 4.949 0.813 1.00 0.00 C ATOM 810 C LEU A 53 -3.092 5.692 -0.039 1.00 0.00 C ATOM 811 O LEU A 53 -4.292 5.608 0.218 1.00 0.00 O ATOM 812 CB LEU A 53 -2.486 3.529 1.192 1.00 0.00 C ATOM 813 CG LEU A 53 -1.468 2.716 1.995 1.00 0.00 C ATOM 814 CD1 LEU A 53 -2.002 1.314 2.297 1.00 0.00 C ATOM 815 CD2 LEU A 53 -0.116 2.673 1.281 1.00 0.00 C ATOM 0 H LEU A 53 -2.577 5.906 2.603 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.164 4.837 0.204 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.409 3.589 1.768 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.716 2.983 0.277 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.311 3.214 2.952 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -1.259 0.757 2.868 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -2.922 1.392 2.876 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.206 0.793 1.362 1.00 0.00 H new ATOM 0 HD21 LEU A 53 0.589 2.089 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -0.237 2.212 0.301 1.00 0.00 H new ATOM 0 HD23 LEU A 53 0.264 3.687 1.160 1.00 0.00 H new ATOM 827 N LEU A 54 -2.586 6.403 -1.036 1.00 0.00 N ATOM 828 CA LEU A 54 -3.448 7.160 -1.928 1.00 0.00 C ATOM 829 C LEU A 54 -3.722 6.336 -3.187 1.00 0.00 C ATOM 830 O LEU A 54 -3.005 5.379 -3.475 1.00 0.00 O ATOM 831 CB LEU A 54 -2.845 8.538 -2.213 1.00 0.00 C ATOM 832 CG LEU A 54 -2.529 9.398 -0.988 1.00 0.00 C ATOM 833 CD1 LEU A 54 -3.807 9.759 -0.227 1.00 0.00 C ATOM 834 CD2 LEU A 54 -1.500 8.713 -0.088 1.00 0.00 C ATOM 0 H LEU A 54 -1.590 6.471 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 54 -4.412 7.350 -1.456 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.926 8.400 -2.782 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -3.535 9.090 -2.851 1.00 0.00 H new ATOM 0 HG LEU A 54 -2.084 10.332 -1.332 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -3.554 10.371 0.639 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -4.475 10.317 -0.883 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.303 8.847 0.105 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.293 9.346 0.775 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.893 7.754 0.250 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.579 8.550 -0.647 1.00 0.00 H new ATOM 846 N LYS A 55 -4.761 6.738 -3.905 1.00 0.00 N ATOM 847 CA LYS A 55 -5.138 6.049 -5.127 1.00 0.00 C ATOM 848 C LYS A 55 -3.919 5.944 -6.045 1.00 0.00 C ATOM 849 O LYS A 55 -3.509 4.845 -6.416 1.00 0.00 O ATOM 850 CB LYS A 55 -6.342 6.733 -5.778 1.00 0.00 C ATOM 851 CG LYS A 55 -7.511 6.838 -4.795 1.00 0.00 C ATOM 852 CD LYS A 55 -8.529 5.721 -5.034 1.00 0.00 C ATOM 853 CE LYS A 55 -9.503 6.098 -6.153 1.00 0.00 C ATOM 854 NZ LYS A 55 -10.526 7.043 -5.653 1.00 0.00 N ATOM 0 H LYS A 55 -5.353 7.532 -3.663 1.00 0.00 H new ATOM 0 HA LYS A 55 -5.460 5.031 -4.907 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -6.059 7.729 -6.119 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -6.652 6.171 -6.659 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.137 6.782 -3.773 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.997 7.808 -4.904 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.009 4.799 -5.295 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -9.082 5.526 -4.116 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -8.957 6.549 -6.982 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -9.986 5.201 -6.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -11.281 7.144 -6.361 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -10.930 6.680 -4.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -10.087 7.970 -5.480 1.00 0.00 H new ATOM 868 N ASP A 56 -3.374 7.103 -6.387 1.00 0.00 N ATOM 869 CA ASP A 56 -2.211 7.155 -7.255 1.00 0.00 C ATOM 870 C ASP A 56 -1.452 8.460 -7.007 1.00 0.00 C ATOM 871 O ASP A 56 -1.884 9.290 -6.208 1.00 0.00 O ATOM 872 CB ASP A 56 -2.621 7.120 -8.729 1.00 0.00 C ATOM 873 CG ASP A 56 -3.484 5.923 -9.132 1.00 0.00 C ATOM 874 OD1 ASP A 56 -2.973 4.788 -9.013 1.00 0.00 O ATOM 875 OD2 ASP A 56 -4.636 6.169 -9.549 1.00 0.00 O ATOM 0 H ASP A 56 -3.717 8.013 -6.078 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.587 6.289 -7.033 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.165 8.036 -8.961 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -1.719 7.121 -9.341 1.00 0.00 H new ATOM 880 N TYR A 57 -0.336 8.601 -7.705 1.00 0.00 N ATOM 881 CA TYR A 57 0.487 9.791 -7.570 1.00 0.00 C ATOM 882 C TYR A 57 -0.332 11.056 -7.833 1.00 0.00 C ATOM 883 O TYR A 57 -0.275 12.010 -7.058 1.00 0.00 O ATOM 884 CB TYR A 57 1.578 9.673 -8.637 1.00 0.00 C ATOM 885 CG TYR A 57 2.186 11.013 -9.055 1.00 0.00 C ATOM 886 CD1 TYR A 57 3.125 11.626 -8.251 1.00 0.00 C ATOM 887 CD2 TYR A 57 1.795 11.609 -10.237 1.00 0.00 C ATOM 888 CE1 TYR A 57 3.697 12.887 -8.645 1.00 0.00 C ATOM 889 CE2 TYR A 57 2.368 12.870 -10.632 1.00 0.00 C ATOM 890 CZ TYR A 57 3.290 13.447 -9.816 1.00 0.00 C ATOM 891 OH TYR A 57 3.831 14.638 -10.188 1.00 0.00 O ATOM 0 H TYR A 57 0.019 7.910 -8.367 1.00 0.00 H new ATOM 0 HA TYR A 57 0.895 9.863 -6.562 1.00 0.00 H new ATOM 0 HB2 TYR A 57 2.371 9.027 -8.261 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.160 9.185 -9.517 1.00 0.00 H new ATOM 0 HD1 TYR A 57 3.431 11.160 -7.326 1.00 0.00 H new ATOM 0 HD2 TYR A 57 1.059 11.130 -10.866 1.00 0.00 H new ATOM 0 HE1 TYR A 57 4.433 13.377 -8.025 1.00 0.00 H new ATOM 0 HE2 TYR A 57 2.072 13.346 -11.555 1.00 0.00 H new ATOM 0 HH TYR A 57 3.448 14.918 -11.046 1.00 0.00 H new ATOM 901 N GLN A 58 -1.076 11.024 -8.930 1.00 0.00 N ATOM 902 CA GLN A 58 -1.906 12.156 -9.305 1.00 0.00 C ATOM 903 C GLN A 58 -3.003 12.379 -8.262 1.00 0.00 C ATOM 904 O GLN A 58 -3.048 13.424 -7.616 1.00 0.00 O ATOM 905 CB GLN A 58 -2.505 11.959 -10.698 1.00 0.00 C ATOM 906 CG GLN A 58 -2.601 13.289 -11.448 1.00 0.00 C ATOM 907 CD GLN A 58 -4.061 13.691 -11.667 1.00 0.00 C ATOM 908 OE1 GLN A 58 -4.755 13.165 -12.522 1.00 0.00 O ATOM 909 NE2 GLN A 58 -4.487 14.650 -10.849 1.00 0.00 N ATOM 0 H GLN A 58 -1.121 10.232 -9.571 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.278 13.046 -9.339 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -1.891 11.261 -11.266 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -3.496 11.514 -10.612 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -2.087 14.067 -10.884 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -2.095 13.206 -12.410 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -3.853 15.047 -10.155 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -5.447 14.988 -10.916 1.00 0.00 H new ATOM 918 N SER A 59 -3.862 11.378 -8.131 1.00 0.00 N ATOM 919 CA SER A 59 -4.956 11.451 -7.178 1.00 0.00 C ATOM 920 C SER A 59 -4.410 11.712 -5.772 1.00 0.00 C ATOM 921 O SER A 59 -3.227 11.494 -5.512 1.00 0.00 O ATOM 922 CB SER A 59 -5.787 10.166 -7.193 1.00 0.00 C ATOM 923 OG SER A 59 -6.547 10.037 -8.392 1.00 0.00 O ATOM 0 H SER A 59 -3.822 10.512 -8.669 1.00 0.00 H new ATOM 0 HA SER A 59 -5.606 12.276 -7.468 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.126 9.305 -7.088 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.459 10.159 -6.335 1.00 0.00 H new ATOM 0 HG SER A 59 -7.062 9.204 -8.365 1.00 0.00 H new ATOM 929 N GLN A 60 -5.296 12.176 -4.904 1.00 0.00 N ATOM 930 CA GLN A 60 -4.918 12.470 -3.533 1.00 0.00 C ATOM 931 C GLN A 60 -5.908 11.827 -2.559 1.00 0.00 C ATOM 932 O GLN A 60 -5.896 12.128 -1.367 1.00 0.00 O ATOM 933 CB GLN A 60 -4.823 13.979 -3.301 1.00 0.00 C ATOM 934 CG GLN A 60 -3.708 14.595 -4.148 1.00 0.00 C ATOM 935 CD GLN A 60 -2.353 14.467 -3.449 1.00 0.00 C ATOM 936 OE1 GLN A 60 -1.531 13.629 -3.782 1.00 0.00 O ATOM 937 NE2 GLN A 60 -2.168 15.341 -2.464 1.00 0.00 N ATOM 0 H GLN A 60 -6.276 12.356 -5.124 1.00 0.00 H new ATOM 0 HA GLN A 60 -3.931 12.045 -3.351 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -5.775 14.449 -3.549 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -4.635 14.177 -2.246 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -3.669 14.101 -5.119 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.927 15.646 -4.335 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -2.898 16.016 -2.237 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -1.296 15.336 -1.935 1.00 0.00 H new ATOM 946 N GLU A 61 -6.741 10.953 -3.105 1.00 0.00 N ATOM 947 CA GLU A 61 -7.736 10.265 -2.299 1.00 0.00 C ATOM 948 C GLU A 61 -7.098 9.088 -1.559 1.00 0.00 C ATOM 949 O GLU A 61 -6.500 8.210 -2.179 1.00 0.00 O ATOM 950 CB GLU A 61 -8.911 9.798 -3.161 1.00 0.00 C ATOM 951 CG GLU A 61 -10.154 10.652 -2.901 1.00 0.00 C ATOM 952 CD GLU A 61 -11.383 10.054 -3.589 1.00 0.00 C ATOM 953 OE1 GLU A 61 -11.641 8.854 -3.349 1.00 0.00 O ATOM 954 OE2 GLU A 61 -12.038 10.809 -4.339 1.00 0.00 O ATOM 0 H GLU A 61 -6.748 10.706 -4.095 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.125 10.966 -1.560 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.639 9.856 -4.215 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -9.132 8.753 -2.946 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.332 10.724 -1.828 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.986 11.666 -3.265 1.00 0.00 H new ATOM 961 N PRO A 62 -7.251 9.108 -0.207 1.00 0.00 N ATOM 962 CA PRO A 62 -6.696 8.054 0.624 1.00 0.00 C ATOM 963 C PRO A 62 -7.528 6.775 0.515 1.00 0.00 C ATOM 964 O PRO A 62 -8.749 6.833 0.382 1.00 0.00 O ATOM 965 CB PRO A 62 -6.677 8.631 2.030 1.00 0.00 C ATOM 966 CG PRO A 62 -7.644 9.803 2.013 1.00 0.00 C ATOM 967 CD PRO A 62 -7.953 10.132 0.561 1.00 0.00 C ATOM 0 HA PRO A 62 -5.693 7.759 0.315 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -6.982 7.884 2.763 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -5.674 8.956 2.305 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -8.558 9.551 2.550 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -7.207 10.666 2.515 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -9.026 10.106 0.368 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.606 11.131 0.299 1.00 0.00 H new ATOM 975 N LEU A 63 -6.833 5.648 0.575 1.00 0.00 N ATOM 976 CA LEU A 63 -7.492 4.356 0.484 1.00 0.00 C ATOM 977 C LEU A 63 -7.763 3.827 1.894 1.00 0.00 C ATOM 978 O LEU A 63 -7.140 4.270 2.858 1.00 0.00 O ATOM 979 CB LEU A 63 -6.677 3.399 -0.387 1.00 0.00 C ATOM 980 CG LEU A 63 -6.113 3.985 -1.682 1.00 0.00 C ATOM 981 CD1 LEU A 63 -4.684 3.498 -1.929 1.00 0.00 C ATOM 982 CD2 LEU A 63 -7.033 3.684 -2.867 1.00 0.00 C ATOM 0 H LEU A 63 -5.820 5.603 0.686 1.00 0.00 H new ATOM 0 HA LEU A 63 -8.458 4.454 -0.011 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -5.847 3.017 0.207 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -7.306 2.546 -0.642 1.00 0.00 H new ATOM 0 HG LEU A 63 -6.070 5.069 -1.575 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.308 3.930 -2.856 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.046 3.806 -1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -4.678 2.411 -2.007 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -6.608 4.112 -3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -7.132 2.605 -2.986 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -8.015 4.120 -2.685 1.00 0.00 H new ATOM 994 N ASP A 64 -8.693 2.886 1.969 1.00 0.00 N ATOM 995 CA ASP A 64 -9.054 2.291 3.245 1.00 0.00 C ATOM 996 C ASP A 64 -8.209 1.036 3.475 1.00 0.00 C ATOM 997 O ASP A 64 -8.282 0.084 2.700 1.00 0.00 O ATOM 998 CB ASP A 64 -10.527 1.878 3.263 1.00 0.00 C ATOM 999 CG ASP A 64 -11.424 2.725 4.168 1.00 0.00 C ATOM 1000 OD1 ASP A 64 -11.334 3.967 4.055 1.00 0.00 O ATOM 1001 OD2 ASP A 64 -12.180 2.112 4.952 1.00 0.00 O ATOM 0 H ASP A 64 -9.207 2.521 1.167 1.00 0.00 H new ATOM 0 HA ASP A 64 -8.877 3.032 4.024 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -10.915 1.925 2.245 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -10.593 0.838 3.581 1.00 0.00 H new ATOM 1006 N LEU A 65 -7.426 1.076 4.543 1.00 0.00 N ATOM 1007 CA LEU A 65 -6.568 -0.045 4.885 1.00 0.00 C ATOM 1008 C LEU A 65 -7.434 -1.259 5.225 1.00 0.00 C ATOM 1009 O LEU A 65 -7.066 -2.394 4.924 1.00 0.00 O ATOM 1010 CB LEU A 65 -5.593 0.345 5.997 1.00 0.00 C ATOM 1011 CG LEU A 65 -4.812 1.643 5.780 1.00 0.00 C ATOM 1012 CD1 LEU A 65 -4.240 2.166 7.099 1.00 0.00 C ATOM 1013 CD2 LEU A 65 -3.727 1.459 4.717 1.00 0.00 C ATOM 0 H LEU A 65 -7.368 1.868 5.183 1.00 0.00 H new ATOM 0 HA LEU A 65 -5.948 -0.323 4.033 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -6.152 0.432 6.929 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -4.879 -0.468 6.128 1.00 0.00 H new ATOM 0 HG LEU A 65 -5.503 2.399 5.407 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.690 3.089 6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -5.054 2.361 7.797 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.568 1.421 7.525 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.187 2.396 4.582 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -3.032 0.683 5.037 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -4.188 1.167 3.773 1.00 0.00 H new ATOM 1025 N THR A 66 -8.570 -0.980 5.849 1.00 0.00 N ATOM 1026 CA THR A 66 -9.492 -2.035 6.233 1.00 0.00 C ATOM 1027 C THR A 66 -9.979 -2.794 4.997 1.00 0.00 C ATOM 1028 O THR A 66 -10.552 -3.876 5.115 1.00 0.00 O ATOM 1029 CB THR A 66 -10.625 -1.401 7.043 1.00 0.00 C ATOM 1030 OG1 THR A 66 -11.674 -2.363 6.983 1.00 0.00 O ATOM 1031 CG2 THR A 66 -11.213 -0.166 6.359 1.00 0.00 C ATOM 0 H THR A 66 -8.872 -0.038 6.098 1.00 0.00 H new ATOM 0 HA THR A 66 -9.002 -2.780 6.860 1.00 0.00 H new ATOM 0 HB THR A 66 -10.256 -1.127 8.031 1.00 0.00 H new ATOM 0 HG1 THR A 66 -11.325 -3.206 6.626 1.00 0.00 H new ATOM 0 HG21 THR A 66 -12.013 0.245 6.975 1.00 0.00 H new ATOM 0 HG22 THR A 66 -10.433 0.584 6.229 1.00 0.00 H new ATOM 0 HG23 THR A 66 -11.613 -0.446 5.384 1.00 0.00 H new ATOM 1039 N LYS A 67 -9.732 -2.198 3.841 1.00 0.00 N ATOM 1040 CA LYS A 67 -10.138 -2.804 2.584 1.00 0.00 C ATOM 1041 C LYS A 67 -8.915 -3.417 1.900 1.00 0.00 C ATOM 1042 O LYS A 67 -7.804 -2.906 2.032 1.00 0.00 O ATOM 1043 CB LYS A 67 -10.885 -1.789 1.716 1.00 0.00 C ATOM 1044 CG LYS A 67 -12.083 -1.202 2.466 1.00 0.00 C ATOM 1045 CD LYS A 67 -13.400 -1.727 1.890 1.00 0.00 C ATOM 1046 CE LYS A 67 -14.241 -2.403 2.974 1.00 0.00 C ATOM 1047 NZ LYS A 67 -15.564 -2.794 2.436 1.00 0.00 N ATOM 0 H LYS A 67 -9.255 -1.301 3.748 1.00 0.00 H new ATOM 0 HA LYS A 67 -10.844 -3.615 2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -10.207 -0.988 1.422 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.226 -2.270 0.799 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -12.016 -1.459 3.523 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.061 -0.114 2.400 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -13.962 -0.904 1.449 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -13.194 -2.437 1.089 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -13.720 -3.284 3.350 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.371 -1.725 3.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -15.960 -3.563 3.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -16.205 -1.976 2.463 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -15.457 -3.118 1.454 1.00 0.00 H new ATOM 1061 N SER A 68 -9.161 -4.503 1.182 1.00 0.00 N ATOM 1062 CA SER A 68 -8.093 -5.191 0.477 1.00 0.00 C ATOM 1063 C SER A 68 -8.085 -4.775 -0.995 1.00 0.00 C ATOM 1064 O SER A 68 -8.913 -3.971 -1.421 1.00 0.00 O ATOM 1065 CB SER A 68 -8.241 -6.709 0.598 1.00 0.00 C ATOM 1066 OG SER A 68 -9.608 -7.113 0.604 1.00 0.00 O ATOM 0 H SER A 68 -10.084 -4.923 1.073 1.00 0.00 H new ATOM 0 HA SER A 68 -7.145 -4.908 0.934 1.00 0.00 H new ATOM 0 HB2 SER A 68 -7.724 -7.191 -0.232 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.758 -7.048 1.515 1.00 0.00 H new ATOM 0 HG SER A 68 -9.660 -8.089 0.681 1.00 0.00 H new ATOM 1072 N LEU A 69 -7.141 -5.340 -1.733 1.00 0.00 N ATOM 1073 CA LEU A 69 -7.014 -5.037 -3.148 1.00 0.00 C ATOM 1074 C LEU A 69 -8.250 -5.552 -3.888 1.00 0.00 C ATOM 1075 O LEU A 69 -8.652 -4.985 -4.902 1.00 0.00 O ATOM 1076 CB LEU A 69 -5.696 -5.586 -3.698 1.00 0.00 C ATOM 1077 CG LEU A 69 -4.430 -4.838 -3.273 1.00 0.00 C ATOM 1078 CD1 LEU A 69 -4.203 -3.603 -4.148 1.00 0.00 C ATOM 1079 CD2 LEU A 69 -4.473 -4.486 -1.785 1.00 0.00 C ATOM 0 H LEU A 69 -6.456 -6.007 -1.377 1.00 0.00 H new ATOM 0 HA LEU A 69 -6.974 -3.959 -3.304 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -5.601 -6.627 -3.388 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.749 -5.581 -4.787 1.00 0.00 H new ATOM 0 HG LEU A 69 -3.577 -5.500 -3.422 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -3.297 -3.090 -3.825 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.095 -3.909 -5.189 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.055 -2.929 -4.054 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -3.561 -3.955 -1.510 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -5.336 -3.851 -1.586 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -4.552 -5.400 -1.197 1.00 0.00 H new ATOM 1091 N ASN A 70 -8.819 -6.622 -3.351 1.00 0.00 N ATOM 1092 CA ASN A 70 -10.001 -7.220 -3.948 1.00 0.00 C ATOM 1093 C ASN A 70 -11.213 -6.329 -3.670 1.00 0.00 C ATOM 1094 O ASN A 70 -11.973 -6.006 -4.583 1.00 0.00 O ATOM 1095 CB ASN A 70 -10.282 -8.600 -3.349 1.00 0.00 C ATOM 1096 CG ASN A 70 -9.986 -9.707 -4.363 1.00 0.00 C ATOM 1097 OD1 ASN A 70 -10.208 -9.570 -5.554 1.00 0.00 O ATOM 1098 ND2 ASN A 70 -9.473 -10.810 -3.824 1.00 0.00 N ATOM 0 H ASN A 70 -8.483 -7.090 -2.509 1.00 0.00 H new ATOM 0 HA ASN A 70 -9.824 -7.320 -5.019 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.671 -8.745 -2.458 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -11.324 -8.659 -3.034 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -9.241 -11.607 -4.417 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.312 -10.859 -2.818 1.00 0.00 H new ATOM 1105 N ASP A 71 -11.357 -5.956 -2.407 1.00 0.00 N ATOM 1106 CA ASP A 71 -12.464 -5.109 -1.998 1.00 0.00 C ATOM 1107 C ASP A 71 -12.402 -3.789 -2.769 1.00 0.00 C ATOM 1108 O ASP A 71 -13.404 -3.344 -3.326 1.00 0.00 O ATOM 1109 CB ASP A 71 -12.389 -4.788 -0.504 1.00 0.00 C ATOM 1110 CG ASP A 71 -13.742 -4.672 0.201 1.00 0.00 C ATOM 1111 OD1 ASP A 71 -14.592 -3.918 -0.322 1.00 0.00 O ATOM 1112 OD2 ASP A 71 -13.896 -5.338 1.247 1.00 0.00 O ATOM 0 H ASP A 71 -10.725 -6.225 -1.653 1.00 0.00 H new ATOM 0 HA ASP A 71 -13.392 -5.642 -2.206 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.804 -5.564 -0.010 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.848 -3.851 -0.376 1.00 0.00 H new ATOM 1117 N LEU A 72 -11.215 -3.200 -2.776 1.00 0.00 N ATOM 1118 CA LEU A 72 -11.009 -1.940 -3.469 1.00 0.00 C ATOM 1119 C LEU A 72 -11.176 -2.157 -4.974 1.00 0.00 C ATOM 1120 O LEU A 72 -11.940 -1.448 -5.627 1.00 0.00 O ATOM 1121 CB LEU A 72 -9.661 -1.329 -3.081 1.00 0.00 C ATOM 1122 CG LEU A 72 -9.567 -0.754 -1.666 1.00 0.00 C ATOM 1123 CD1 LEU A 72 -8.112 -0.683 -1.199 1.00 0.00 C ATOM 1124 CD2 LEU A 72 -10.265 0.605 -1.579 1.00 0.00 C ATOM 0 H LEU A 72 -10.386 -3.572 -2.313 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.761 -1.212 -3.167 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -8.892 -2.094 -3.193 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -9.427 -0.535 -3.791 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.090 -1.428 -0.987 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -8.073 -0.271 -0.191 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -7.681 -1.684 -1.199 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -7.544 -0.043 -1.874 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -10.184 0.991 -0.563 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -9.792 1.302 -2.271 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -11.317 0.491 -1.841 1.00 0.00 H new ATOM 1136 N GLY A 73 -10.448 -3.142 -5.481 1.00 0.00 N ATOM 1137 CA GLY A 73 -10.505 -3.462 -6.898 1.00 0.00 C ATOM 1138 C GLY A 73 -9.393 -2.745 -7.667 1.00 0.00 C ATOM 1139 O GLY A 73 -9.548 -2.441 -8.849 1.00 0.00 O ATOM 0 H GLY A 73 -9.816 -3.729 -4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -10.411 -4.539 -7.035 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -11.476 -3.173 -7.301 1.00 0.00 H new ATOM 1143 N LEU A 74 -8.297 -2.496 -6.965 1.00 0.00 N ATOM 1144 CA LEU A 74 -7.160 -1.821 -7.568 1.00 0.00 C ATOM 1145 C LEU A 74 -5.966 -2.777 -7.605 1.00 0.00 C ATOM 1146 O LEU A 74 -5.912 -3.738 -6.839 1.00 0.00 O ATOM 1147 CB LEU A 74 -6.872 -0.506 -6.842 1.00 0.00 C ATOM 1148 CG LEU A 74 -8.017 0.509 -6.813 1.00 0.00 C ATOM 1149 CD1 LEU A 74 -7.709 1.656 -5.849 1.00 0.00 C ATOM 1150 CD2 LEU A 74 -8.336 1.015 -8.222 1.00 0.00 C ATOM 0 H LEU A 74 -8.172 -2.749 -5.985 1.00 0.00 H new ATOM 0 HA LEU A 74 -7.382 -1.547 -8.599 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -6.590 -0.735 -5.814 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.008 -0.036 -7.312 1.00 0.00 H new ATOM 0 HG LEU A 74 -8.910 0.007 -6.441 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -8.539 2.363 -5.848 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.569 1.259 -4.844 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.799 2.165 -6.168 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -9.153 1.735 -8.174 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -7.454 1.495 -8.645 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -8.629 0.175 -8.852 1.00 0.00 H new ATOM 1162 N ARG A 75 -5.039 -2.480 -8.503 1.00 0.00 N ATOM 1163 CA ARG A 75 -3.849 -3.301 -8.650 1.00 0.00 C ATOM 1164 C ARG A 75 -2.593 -2.469 -8.381 1.00 0.00 C ATOM 1165 O ARG A 75 -1.476 -2.948 -8.567 1.00 0.00 O ATOM 1166 CB ARG A 75 -3.764 -3.901 -10.055 1.00 0.00 C ATOM 1167 CG ARG A 75 -4.708 -5.097 -10.199 1.00 0.00 C ATOM 1168 CD ARG A 75 -3.983 -6.408 -9.887 1.00 0.00 C ATOM 1169 NE ARG A 75 -3.896 -7.240 -11.108 1.00 0.00 N ATOM 1170 CZ ARG A 75 -3.679 -8.563 -11.102 1.00 0.00 C ATOM 1171 NH1 ARG A 75 -3.526 -9.211 -9.939 1.00 0.00 N ATOM 1172 NH2 ARG A 75 -3.616 -9.237 -12.258 1.00 0.00 N ATOM 0 H ARG A 75 -5.088 -1.682 -9.137 1.00 0.00 H new ATOM 0 HA ARG A 75 -3.914 -4.112 -7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -4.018 -3.142 -10.795 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -2.740 -4.215 -10.259 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.557 -4.978 -9.526 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.107 -5.130 -11.213 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -2.983 -6.199 -9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.514 -6.950 -9.105 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.008 -6.778 -12.010 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -3.575 -8.698 -9.059 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -3.361 -10.218 -9.934 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -3.733 -8.744 -13.143 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -3.451 -10.244 -12.253 1.00 0.00 H new ATOM 1186 N GLU A 76 -2.820 -1.238 -7.948 1.00 0.00 N ATOM 1187 CA GLU A 76 -1.721 -0.335 -7.652 1.00 0.00 C ATOM 1188 C GLU A 76 -2.137 0.674 -6.580 1.00 0.00 C ATOM 1189 O GLU A 76 -3.324 0.830 -6.296 1.00 0.00 O ATOM 1190 CB GLU A 76 -1.239 0.377 -8.918 1.00 0.00 C ATOM 1191 CG GLU A 76 -2.294 1.361 -9.428 1.00 0.00 C ATOM 1192 CD GLU A 76 -3.154 0.726 -10.522 1.00 0.00 C ATOM 1193 OE1 GLU A 76 -2.556 0.091 -11.417 1.00 0.00 O ATOM 1194 OE2 GLU A 76 -4.390 0.889 -10.438 1.00 0.00 O ATOM 0 H GLU A 76 -3.749 -0.845 -7.795 1.00 0.00 H new ATOM 0 HA GLU A 76 -0.888 -0.923 -7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -0.311 0.909 -8.709 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -1.018 -0.358 -9.692 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -2.929 1.680 -8.601 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -1.805 2.254 -9.817 1.00 0.00 H new ATOM 1201 N LEU A 77 -1.137 1.334 -6.014 1.00 0.00 N ATOM 1202 CA LEU A 77 -1.385 2.324 -4.979 1.00 0.00 C ATOM 1203 C LEU A 77 -0.168 3.243 -4.857 1.00 0.00 C ATOM 1204 O LEU A 77 0.878 2.975 -5.446 1.00 0.00 O ATOM 1205 CB LEU A 77 -1.775 1.642 -3.667 1.00 0.00 C ATOM 1206 CG LEU A 77 -0.880 0.484 -3.221 1.00 0.00 C ATOM 1207 CD1 LEU A 77 -0.215 0.791 -1.878 1.00 0.00 C ATOM 1208 CD2 LEU A 77 -1.661 -0.831 -3.186 1.00 0.00 C ATOM 0 H LEU A 77 -0.154 1.203 -6.252 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.234 2.952 -5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.783 2.394 -2.878 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.795 1.270 -3.763 1.00 0.00 H new ATOM 0 HG LEU A 77 -0.083 0.366 -3.956 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.416 -0.048 -1.584 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.396 1.689 -1.971 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -0.982 0.951 -1.120 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.001 -1.638 -2.866 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.492 -0.742 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -2.047 -1.051 -4.181 1.00 0.00 H new ATOM 1220 N TYR A 78 -0.344 4.307 -4.088 1.00 0.00 N ATOM 1221 CA TYR A 78 0.727 5.267 -3.880 1.00 0.00 C ATOM 1222 C TYR A 78 1.057 5.407 -2.393 1.00 0.00 C ATOM 1223 O TYR A 78 0.163 5.372 -1.549 1.00 0.00 O ATOM 1224 CB TYR A 78 0.201 6.605 -4.402 1.00 0.00 C ATOM 1225 CG TYR A 78 1.162 7.776 -4.191 1.00 0.00 C ATOM 1226 CD1 TYR A 78 2.216 7.969 -5.061 1.00 0.00 C ATOM 1227 CD2 TYR A 78 0.975 8.641 -3.131 1.00 0.00 C ATOM 1228 CE1 TYR A 78 3.121 9.071 -4.862 1.00 0.00 C ATOM 1229 CE2 TYR A 78 1.880 9.743 -2.933 1.00 0.00 C ATOM 1230 CZ TYR A 78 2.909 9.904 -3.808 1.00 0.00 C ATOM 1231 OH TYR A 78 3.764 10.945 -3.621 1.00 0.00 O ATOM 0 H TYR A 78 -1.213 4.526 -3.601 1.00 0.00 H new ATOM 0 HA TYR A 78 1.634 4.946 -4.392 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -0.011 6.510 -5.467 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -0.744 6.830 -3.908 1.00 0.00 H new ATOM 0 HD1 TYR A 78 2.362 7.293 -5.891 1.00 0.00 H new ATOM 0 HD2 TYR A 78 0.150 8.491 -2.451 1.00 0.00 H new ATOM 0 HE1 TYR A 78 3.950 9.233 -5.535 1.00 0.00 H new ATOM 0 HE2 TYR A 78 1.745 10.427 -2.108 1.00 0.00 H new ATOM 0 HH TYR A 78 3.490 11.456 -2.831 1.00 0.00 H new ATOM 1241 N ALA A 79 2.344 5.561 -2.117 1.00 0.00 N ATOM 1242 CA ALA A 79 2.803 5.707 -0.746 1.00 0.00 C ATOM 1243 C ALA A 79 3.241 7.154 -0.511 1.00 0.00 C ATOM 1244 O ALA A 79 4.247 7.599 -1.061 1.00 0.00 O ATOM 1245 CB ALA A 79 3.928 4.705 -0.476 1.00 0.00 C ATOM 0 H ALA A 79 3.083 5.588 -2.819 1.00 0.00 H new ATOM 0 HA ALA A 79 1.997 5.489 -0.045 1.00 0.00 H new ATOM 0 HB1 ALA A 79 4.273 4.814 0.552 1.00 0.00 H new ATOM 0 HB2 ALA A 79 3.557 3.692 -0.629 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.756 4.895 -1.159 1.00 0.00 H new ATOM 1251 N MET A 80 2.465 7.847 0.309 1.00 0.00 N ATOM 1252 CA MET A 80 2.761 9.235 0.624 1.00 0.00 C ATOM 1253 C MET A 80 3.543 9.344 1.935 1.00 0.00 C ATOM 1254 O MET A 80 3.272 8.613 2.886 1.00 0.00 O ATOM 1255 CB MET A 80 1.454 10.021 0.742 1.00 0.00 C ATOM 1256 CG MET A 80 1.727 11.495 1.050 1.00 0.00 C ATOM 1257 SD MET A 80 0.308 12.224 1.851 1.00 0.00 S ATOM 1258 CE MET A 80 -0.737 12.509 0.432 1.00 0.00 C ATOM 0 H MET A 80 1.632 7.474 0.765 1.00 0.00 H new ATOM 0 HA MET A 80 3.373 9.648 -0.178 1.00 0.00 H new ATOM 0 HB2 MET A 80 0.890 9.938 -0.187 1.00 0.00 H new ATOM 0 HB3 MET A 80 0.836 9.590 1.529 1.00 0.00 H new ATOM 0 HG2 MET A 80 2.603 11.585 1.692 1.00 0.00 H new ATOM 0 HG3 MET A 80 1.951 12.032 0.128 1.00 0.00 H new ATOM 0 HE1 MET A 80 -0.997 13.566 0.378 1.00 0.00 H new ATOM 0 HE2 MET A 80 -0.206 12.219 -0.475 1.00 0.00 H new ATOM 0 HE3 MET A 80 -1.647 11.916 0.525 1.00 0.00 H new ATOM 1268 N ASP A 81 4.496 10.264 1.943 1.00 0.00 N ATOM 1269 CA ASP A 81 5.319 10.479 3.121 1.00 0.00 C ATOM 1270 C ASP A 81 4.757 11.655 3.923 1.00 0.00 C ATOM 1271 O ASP A 81 4.810 12.799 3.474 1.00 0.00 O ATOM 1272 CB ASP A 81 6.759 10.818 2.733 1.00 0.00 C ATOM 1273 CG ASP A 81 7.346 9.958 1.611 1.00 0.00 C ATOM 1274 OD1 ASP A 81 7.649 8.780 1.898 1.00 0.00 O ATOM 1275 OD2 ASP A 81 7.477 10.499 0.491 1.00 0.00 O ATOM 0 H ASP A 81 4.717 10.869 1.152 1.00 0.00 H new ATOM 0 HA ASP A 81 5.310 9.562 3.710 1.00 0.00 H new ATOM 0 HB2 ASP A 81 6.801 11.864 2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.391 10.718 3.616 1.00 0.00 H new ATOM 1280 N VAL A 82 4.231 11.333 5.095 1.00 0.00 N ATOM 1281 CA VAL A 82 3.659 12.348 5.964 1.00 0.00 C ATOM 1282 C VAL A 82 4.544 12.511 7.201 1.00 0.00 C ATOM 1283 O VAL A 82 4.136 12.169 8.310 1.00 0.00 O ATOM 1284 CB VAL A 82 2.212 11.989 6.307 1.00 0.00 C ATOM 1285 CG1 VAL A 82 1.249 12.522 5.245 1.00 0.00 C ATOM 1286 CG2 VAL A 82 2.050 10.478 6.485 1.00 0.00 C ATOM 0 H VAL A 82 4.189 10.383 5.464 1.00 0.00 H new ATOM 0 HA VAL A 82 3.628 13.312 5.457 1.00 0.00 H new ATOM 0 HB VAL A 82 1.963 12.467 7.255 1.00 0.00 H new ATOM 0 HG11 VAL A 82 0.227 12.253 5.513 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.336 13.607 5.187 1.00 0.00 H new ATOM 0 HG13 VAL A 82 1.497 12.086 4.277 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.012 10.249 6.728 1.00 0.00 H new ATOM 0 HG22 VAL A 82 2.326 9.971 5.560 1.00 0.00 H new ATOM 0 HG23 VAL A 82 2.696 10.136 7.293 1.00 0.00 H new ATOM 1296 N ASN A 83 5.740 13.034 6.970 1.00 0.00 N ATOM 1297 CA ASN A 83 6.686 13.247 8.052 1.00 0.00 C ATOM 1298 C ASN A 83 6.542 14.678 8.574 1.00 0.00 C ATOM 1299 O ASN A 83 6.218 14.886 9.742 1.00 0.00 O ATOM 1300 CB ASN A 83 8.125 13.062 7.569 1.00 0.00 C ATOM 1301 CG ASN A 83 8.456 11.579 7.387 1.00 0.00 C ATOM 1302 OD1 ASN A 83 8.823 10.879 8.316 1.00 0.00 O ATOM 1303 ND2 ASN A 83 8.306 11.141 6.140 1.00 0.00 N ATOM 0 H ASN A 83 6.075 13.316 6.049 1.00 0.00 H new ATOM 0 HA ASN A 83 6.473 12.520 8.835 1.00 0.00 H new ATOM 0 HB2 ASN A 83 8.266 13.588 6.625 1.00 0.00 H new ATOM 0 HB3 ASN A 83 8.814 13.506 8.288 1.00 0.00 H new ATOM 0 HD21 ASN A 83 8.502 10.166 5.915 1.00 0.00 H new ATOM 0 HD22 ASN A 83 7.995 11.781 5.409 1.00 0.00 H new ATOM 1310 N ARG A 84 6.791 15.627 7.683 1.00 0.00 N ATOM 1311 CA ARG A 84 6.694 17.032 8.040 1.00 0.00 C ATOM 1312 C ARG A 84 5.401 17.295 8.814 1.00 0.00 C ATOM 1313 O ARG A 84 5.439 17.734 9.963 1.00 0.00 O ATOM 1314 CB ARG A 84 6.724 17.920 6.794 1.00 0.00 C ATOM 1315 CG ARG A 84 8.160 18.304 6.430 1.00 0.00 C ATOM 1316 CD ARG A 84 8.429 19.777 6.742 1.00 0.00 C ATOM 1317 NE ARG A 84 8.629 19.957 8.198 1.00 0.00 N ATOM 1318 CZ ARG A 84 8.866 21.139 8.783 1.00 0.00 C ATOM 1319 NH1 ARG A 84 8.933 22.253 8.041 1.00 0.00 N ATOM 1320 NH2 ARG A 84 9.035 21.207 10.111 1.00 0.00 N ATOM 0 H ARG A 84 7.060 15.450 6.715 1.00 0.00 H new ATOM 0 HA ARG A 84 7.552 17.275 8.666 1.00 0.00 H new ATOM 0 HB2 ARG A 84 6.261 17.396 5.958 1.00 0.00 H new ATOM 0 HB3 ARG A 84 6.136 18.821 6.971 1.00 0.00 H new ATOM 0 HG2 ARG A 84 8.859 17.678 6.984 1.00 0.00 H new ATOM 0 HG3 ARG A 84 8.333 18.115 5.371 1.00 0.00 H new ATOM 0 HD2 ARG A 84 9.312 20.117 6.200 1.00 0.00 H new ATOM 0 HD3 ARG A 84 7.592 20.388 6.403 1.00 0.00 H new ATOM 0 HE ARG A 84 8.584 19.130 8.793 1.00 0.00 H new ATOM 0 HH11 ARG A 84 8.804 22.201 7.031 1.00 0.00 H new ATOM 0 HH12 ARG A 84 9.113 23.153 8.487 1.00 0.00 H new ATOM 0 HH21 ARG A 84 8.983 20.359 10.676 1.00 0.00 H new ATOM 0 HH22 ARG A 84 9.215 22.107 10.557 1.00 0.00 H new ATOM 1334 N GLU A 85 4.287 17.015 8.155 1.00 0.00 N ATOM 1335 CA GLU A 85 2.984 17.216 8.767 1.00 0.00 C ATOM 1336 C GLU A 85 2.100 15.987 8.549 1.00 0.00 C ATOM 1337 O GLU A 85 2.223 15.301 7.535 1.00 0.00 O ATOM 1338 CB GLU A 85 2.312 18.479 8.223 1.00 0.00 C ATOM 1339 CG GLU A 85 1.529 19.200 9.322 1.00 0.00 C ATOM 1340 CD GLU A 85 2.232 20.494 9.736 1.00 0.00 C ATOM 1341 OE1 GLU A 85 3.475 20.451 9.857 1.00 0.00 O ATOM 1342 OE2 GLU A 85 1.510 21.497 9.923 1.00 0.00 O ATOM 0 H GLU A 85 4.259 16.650 7.203 1.00 0.00 H new ATOM 0 HA GLU A 85 3.125 17.352 9.839 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.067 19.148 7.811 1.00 0.00 H new ATOM 0 HB3 GLU A 85 1.640 18.215 7.406 1.00 0.00 H new ATOM 0 HG2 GLU A 85 0.523 19.425 8.969 1.00 0.00 H new ATOM 0 HG3 GLU A 85 1.424 18.546 10.188 1.00 0.00 H new ATOM 1349 N SER A 86 1.228 15.746 9.517 1.00 0.00 N ATOM 1350 CA SER A 86 0.324 14.611 9.444 1.00 0.00 C ATOM 1351 C SER A 86 -1.088 15.088 9.097 1.00 0.00 C ATOM 1352 O SER A 86 -1.661 14.665 8.094 1.00 0.00 O ATOM 1353 CB SER A 86 0.312 13.830 10.760 1.00 0.00 C ATOM 1354 OG SER A 86 -0.664 12.792 10.756 1.00 0.00 O ATOM 0 H SER A 86 1.128 16.317 10.356 1.00 0.00 H new ATOM 0 HA SER A 86 0.678 13.942 8.659 1.00 0.00 H new ATOM 0 HB2 SER A 86 1.298 13.400 10.935 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.111 14.513 11.585 1.00 0.00 H new ATOM 0 HG SER A 86 -0.639 12.316 11.612 1.00 0.00 H new ATOM 1360 N GLY A 87 -1.607 15.964 9.945 1.00 0.00 N ATOM 1361 CA GLY A 87 -2.941 16.503 9.740 1.00 0.00 C ATOM 1362 C GLY A 87 -3.897 16.033 10.839 1.00 0.00 C ATOM 1363 O GLY A 87 -3.481 15.368 11.786 1.00 0.00 O ATOM 0 H GLY A 87 -1.128 16.314 10.775 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -2.900 17.592 9.730 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -3.318 16.190 8.766 1.00 0.00 H new ATOM 1367 N PRO A 88 -5.193 16.408 10.671 1.00 0.00 N ATOM 1368 CA PRO A 88 -6.212 16.033 11.638 1.00 0.00 C ATOM 1369 C PRO A 88 -6.584 14.556 11.495 1.00 0.00 C ATOM 1370 O PRO A 88 -6.701 14.046 10.382 1.00 0.00 O ATOM 1371 CB PRO A 88 -7.378 16.969 11.364 1.00 0.00 C ATOM 1372 CG PRO A 88 -7.153 17.516 9.964 1.00 0.00 C ATOM 1373 CD PRO A 88 -5.722 17.197 9.562 1.00 0.00 C ATOM 0 HA PRO A 88 -5.872 16.134 12.669 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -8.328 16.439 11.428 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.413 17.775 12.097 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -7.856 17.067 9.262 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -7.324 18.592 9.943 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -5.689 16.638 8.627 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -5.141 18.107 9.411 1.00 0.00 H new ATOM 1381 N SER A 89 -6.760 13.910 12.639 1.00 0.00 N ATOM 1382 CA SER A 89 -7.117 12.502 12.656 1.00 0.00 C ATOM 1383 C SER A 89 -7.420 12.056 14.088 1.00 0.00 C ATOM 1384 O SER A 89 -6.504 11.780 14.862 1.00 0.00 O ATOM 1385 CB SER A 89 -6.001 11.644 12.057 1.00 0.00 C ATOM 1386 OG SER A 89 -6.375 10.272 11.963 1.00 0.00 O ATOM 0 H SER A 89 -6.662 14.336 13.560 1.00 0.00 H new ATOM 0 HA SER A 89 -8.009 12.368 12.045 1.00 0.00 H new ATOM 0 HB2 SER A 89 -5.747 12.019 11.066 1.00 0.00 H new ATOM 0 HB3 SER A 89 -5.105 11.734 12.671 1.00 0.00 H new ATOM 0 HG SER A 89 -5.637 9.758 11.575 1.00 0.00 H new ATOM 1392 N SER A 90 -8.707 11.999 14.397 1.00 0.00 N ATOM 1393 CA SER A 90 -9.141 11.591 15.722 1.00 0.00 C ATOM 1394 C SER A 90 -8.350 10.364 16.177 1.00 0.00 C ATOM 1395 O SER A 90 -8.347 9.336 15.500 1.00 0.00 O ATOM 1396 CB SER A 90 -10.642 11.293 15.742 1.00 0.00 C ATOM 1397 OG SER A 90 -11.113 11.015 17.058 1.00 0.00 O ATOM 0 H SER A 90 -9.463 12.229 13.752 1.00 0.00 H new ATOM 0 HA SER A 90 -8.952 12.413 16.412 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.186 12.145 15.334 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.851 10.442 15.094 1.00 0.00 H new ATOM 0 HG SER A 90 -12.075 10.832 17.029 1.00 0.00 H new ATOM 1403 N GLY A 91 -7.697 10.510 17.321 1.00 0.00 N ATOM 1404 CA GLY A 91 -6.904 9.426 17.874 1.00 0.00 C ATOM 1405 C GLY A 91 -7.752 8.536 18.785 1.00 0.00 C ATOM 1406 O GLY A 91 -7.252 7.996 19.771 1.00 0.00 O ATOM 0 H GLY A 91 -7.701 11.363 17.880 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -6.484 8.829 17.065 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -6.065 9.835 18.437 1.00 0.00 H new TER 1410 GLY A 91