USER MOD reduce.3.24.130724 H: found=0, std=0, add=701, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 701 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 18 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 20 SER OG : rot 63:sc= 0.0477 USER MOD Set 1.3: A 21 SER OG : rot 180:sc= 0.0682 USER MOD Set 2.1: A 8 GLN : amide:sc= 0.239 K(o=0.67,f=-2.8!) USER MOD Set 2.2: A 89 THR OG1 : rot 180:sc= 0.429 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.00513 USER MOD Single : A 13 SER OG : rot -1:sc= 0.584 USER MOD Single : A 27 THR OG1 : rot 42:sc= 1.22 USER MOD Single : A 30 ASN : amide:sc= -0.2 X(o=-0.2,f=-0.14) USER MOD Single : A 31 SER OG : rot 180:sc= 0.569 USER MOD Single : A 32 SER OG : rot 180:sc= 0.0451 USER MOD Single : A 33 THR OG1 : rot 48:sc= 0.305 USER MOD Single : A 37 TYR OH : rot 0:sc= -0.535 USER MOD Single : A 40 THR OG1 : rot 22:sc= 0.514 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= 0.0038 USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 TYR OH : rot 10:sc= 1.18 USER MOD Single : A 63 THR OG1 : rot -38:sc= 0.0415 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 150:sc= 0.00382 USER MOD Single : A 76 SER OG : rot 76:sc= 0.948 USER MOD Single : A 79 THR OG1 : rot -92:sc= 0.132 USER MOD Single : A 82 ASN : amide:sc= -0.408 X(o=-0.41,f=-0.14) USER MOD Single : A 86 SER OG : rot -138:sc= 0.8 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 103:sc= 1.22 USER MOD Single : A 93 GLN : amide:sc= -0.821 X(o=-0.82,f=-0.55) USER MOD Single : A 94 GLN : amide:sc= -0.217 X(o=-0.22,f=0) USER MOD Single : A 95 THR OG1 : rot 130:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -22.641 1.503 4.193 1.00 0.00 N ATOM 2 CA MET A 1 -22.166 0.212 3.668 1.00 0.00 C ATOM 3 C MET A 1 -22.053 0.137 2.140 1.00 0.00 C ATOM 4 O MET A 1 -21.269 -0.683 1.675 1.00 0.00 O ATOM 5 CB MET A 1 -22.994 -0.964 4.200 1.00 0.00 C ATOM 6 CG MET A 1 -22.459 -1.474 5.539 1.00 0.00 C ATOM 7 SD MET A 1 -23.400 -1.010 7.002 1.00 0.00 S ATOM 8 CE MET A 1 -22.882 -2.395 8.051 1.00 0.00 C ATOM 0 H1 MET A 1 -22.686 1.460 5.231 1.00 0.00 H new ATOM 0 H2 MET A 1 -21.985 2.257 3.905 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.588 1.705 3.814 1.00 0.00 H new ATOM 0 HA MET A 1 -21.147 0.133 4.046 1.00 0.00 H new ATOM 0 HB2 MET A 1 -24.032 -0.654 4.318 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.984 -1.775 3.472 1.00 0.00 H new ATOM 0 HG2 MET A 1 -22.409 -2.562 5.495 1.00 0.00 H new ATOM 0 HG3 MET A 1 -21.438 -1.112 5.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.356 -2.308 9.029 1.00 0.00 H new ATOM 0 HE2 MET A 1 -23.179 -3.335 7.586 1.00 0.00 H new ATOM 0 HE3 MET A 1 -21.799 -2.376 8.170 1.00 0.00 H new ATOM 20 N ARG A 2 -22.803 0.907 1.334 1.00 0.00 N ATOM 21 CA ARG A 2 -22.993 0.686 -0.115 1.00 0.00 C ATOM 22 C ARG A 2 -21.765 0.902 -1.027 1.00 0.00 C ATOM 23 O ARG A 2 -21.952 1.190 -2.214 1.00 0.00 O ATOM 24 CB ARG A 2 -24.209 1.510 -0.597 1.00 0.00 C ATOM 25 CG ARG A 2 -23.963 3.031 -0.662 1.00 0.00 C ATOM 26 CD ARG A 2 -25.135 3.782 -1.305 1.00 0.00 C ATOM 27 NE ARG A 2 -26.324 3.739 -0.443 1.00 0.00 N ATOM 28 CZ ARG A 2 -27.383 2.924 -0.552 1.00 0.00 C ATOM 29 NH1 ARG A 2 -27.597 2.185 -1.634 1.00 0.00 N ATOM 30 NH2 ARG A 2 -28.216 2.829 0.475 1.00 0.00 N ATOM 0 H ARG A 2 -23.309 1.723 1.679 1.00 0.00 H new ATOM 0 HA ARG A 2 -23.171 -0.385 -0.217 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -24.501 1.159 -1.587 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -25.050 1.318 0.070 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -23.798 3.414 0.345 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -23.054 3.226 -1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -24.851 4.818 -1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -25.367 3.340 -2.274 1.00 0.00 H new ATOM 0 HE ARG A 2 -26.346 4.407 0.328 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -26.945 2.226 -2.417 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -28.414 1.576 -1.682 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -28.044 3.369 1.323 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -29.029 2.216 0.417 1.00 0.00 H new ATOM 44 N GLY A 3 -20.538 0.831 -0.515 1.00 0.00 N ATOM 45 CA GLY A 3 -19.340 1.209 -1.251 1.00 0.00 C ATOM 46 C GLY A 3 -19.372 2.716 -1.469 1.00 0.00 C ATOM 47 O GLY A 3 -19.536 3.182 -2.596 1.00 0.00 O ATOM 0 H GLY A 3 -20.349 0.506 0.433 1.00 0.00 H new ATOM 0 HA2 GLY A 3 -18.447 0.924 -0.695 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -19.301 0.687 -2.207 1.00 0.00 H new ATOM 51 N SER A 4 -19.366 3.478 -0.376 1.00 0.00 N ATOM 52 CA SER A 4 -19.573 4.920 -0.355 1.00 0.00 C ATOM 53 C SER A 4 -19.261 5.383 1.072 1.00 0.00 C ATOM 54 O SER A 4 -20.185 5.562 1.874 1.00 0.00 O ATOM 55 CB SER A 4 -21.008 5.242 -0.806 1.00 0.00 C ATOM 56 OG SER A 4 -21.171 6.535 -1.347 1.00 0.00 O ATOM 0 H SER A 4 -19.210 3.089 0.554 1.00 0.00 H new ATOM 0 HA SER A 4 -18.921 5.451 -1.048 1.00 0.00 H new ATOM 0 HB2 SER A 4 -21.315 4.508 -1.551 1.00 0.00 H new ATOM 0 HB3 SER A 4 -21.678 5.131 0.047 1.00 0.00 H new ATOM 0 HG SER A 4 -22.106 6.664 -1.611 1.00 0.00 H new ATOM 62 N GLU A 5 -17.978 5.447 1.447 1.00 0.00 N ATOM 63 CA GLU A 5 -17.573 5.919 2.760 1.00 0.00 C ATOM 64 C GLU A 5 -16.377 6.874 2.614 1.00 0.00 C ATOM 65 O GLU A 5 -16.557 7.965 2.072 1.00 0.00 O ATOM 66 CB GLU A 5 -17.345 4.677 3.641 1.00 0.00 C ATOM 67 CG GLU A 5 -18.085 4.767 4.974 1.00 0.00 C ATOM 68 CD GLU A 5 -17.907 6.077 5.745 1.00 0.00 C ATOM 69 OE1 GLU A 5 -16.797 6.378 6.249 1.00 0.00 O ATOM 70 OE2 GLU A 5 -18.909 6.778 5.961 1.00 0.00 O ATOM 0 H GLU A 5 -17.201 5.173 0.846 1.00 0.00 H new ATOM 0 HA GLU A 5 -18.333 6.518 3.261 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -17.676 3.788 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -16.278 4.558 3.828 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -19.149 4.618 4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -17.753 3.945 5.609 1.00 0.00 H new ATOM 77 N VAL A 6 -15.151 6.480 2.958 1.00 0.00 N ATOM 78 CA VAL A 6 -13.952 7.289 2.773 1.00 0.00 C ATOM 79 C VAL A 6 -13.370 6.908 1.400 1.00 0.00 C ATOM 80 O VAL A 6 -13.237 5.708 1.124 1.00 0.00 O ATOM 81 CB VAL A 6 -12.982 6.989 3.942 1.00 0.00 C ATOM 82 CG1 VAL A 6 -11.655 7.739 3.804 1.00 0.00 C ATOM 83 CG2 VAL A 6 -13.588 7.351 5.303 1.00 0.00 C ATOM 0 H VAL A 6 -14.963 5.571 3.381 1.00 0.00 H new ATOM 0 HA VAL A 6 -14.148 8.361 2.784 1.00 0.00 H new ATOM 0 HB VAL A 6 -12.801 5.915 3.892 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -11.010 7.495 4.648 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -11.165 7.444 2.876 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -11.844 8.812 3.790 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.872 7.123 6.092 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -13.825 8.415 5.324 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -14.498 6.773 5.461 1.00 0.00 H new ATOM 93 N PRO A 7 -12.973 7.865 0.540 1.00 0.00 N ATOM 94 CA PRO A 7 -12.427 7.537 -0.773 1.00 0.00 C ATOM 95 C PRO A 7 -11.030 6.931 -0.607 1.00 0.00 C ATOM 96 O PRO A 7 -10.265 7.364 0.259 1.00 0.00 O ATOM 97 CB PRO A 7 -12.429 8.851 -1.565 1.00 0.00 C ATOM 98 CG PRO A 7 -12.377 9.932 -0.487 1.00 0.00 C ATOM 99 CD PRO A 7 -13.129 9.304 0.689 1.00 0.00 C ATOM 0 HA PRO A 7 -13.012 6.790 -1.309 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -11.572 8.914 -2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -13.323 8.944 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.350 10.182 -0.219 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.853 10.854 -0.821 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -12.720 9.645 1.640 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.182 9.586 0.675 1.00 0.00 H new ATOM 107 N GLN A 8 -10.698 5.927 -1.418 1.00 0.00 N ATOM 108 CA GLN A 8 -9.458 5.160 -1.407 1.00 0.00 C ATOM 109 C GLN A 8 -8.629 5.469 -2.654 1.00 0.00 C ATOM 110 O GLN A 8 -9.176 5.994 -3.623 1.00 0.00 O ATOM 111 CB GLN A 8 -9.801 3.671 -1.202 1.00 0.00 C ATOM 112 CG GLN A 8 -10.414 2.983 -2.423 1.00 0.00 C ATOM 113 CD GLN A 8 -9.483 1.951 -3.030 1.00 0.00 C ATOM 114 OE1 GLN A 8 -8.543 2.315 -3.718 1.00 0.00 O ATOM 115 NE2 GLN A 8 -9.621 0.672 -2.744 1.00 0.00 N ATOM 0 H GLN A 8 -11.334 5.608 -2.149 1.00 0.00 H new ATOM 0 HA GLN A 8 -8.817 5.447 -0.573 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -8.893 3.138 -0.919 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -10.495 3.584 -0.366 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.348 2.501 -2.135 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -10.661 3.733 -3.174 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -10.404 0.359 -2.170 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.945 -0.005 -3.097 1.00 0.00 H new ATOM 124 N LEU A 9 -7.324 5.160 -2.633 1.00 0.00 N ATOM 125 CA LEU A 9 -6.416 5.354 -3.764 1.00 0.00 C ATOM 126 C LEU A 9 -6.808 4.413 -4.893 1.00 0.00 C ATOM 127 O LEU A 9 -6.210 3.354 -5.078 1.00 0.00 O ATOM 128 CB LEU A 9 -4.949 5.089 -3.381 1.00 0.00 C ATOM 129 CG LEU A 9 -4.279 6.158 -2.527 1.00 0.00 C ATOM 130 CD1 LEU A 9 -2.942 5.583 -2.063 1.00 0.00 C ATOM 131 CD2 LEU A 9 -4.105 7.459 -3.308 1.00 0.00 C ATOM 0 H LEU A 9 -6.866 4.762 -1.813 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.500 6.394 -4.079 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -4.899 4.141 -2.846 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -4.371 4.969 -4.297 1.00 0.00 H new ATOM 0 HG LEU A 9 -4.896 6.412 -1.665 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -2.425 6.317 -1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -3.117 4.678 -1.481 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.328 5.343 -2.931 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -3.624 8.203 -2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -3.485 7.276 -4.186 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.081 7.827 -3.623 1.00 0.00 H new ATOM 143 N THR A 10 -7.771 4.837 -5.686 1.00 0.00 N ATOM 144 CA THR A 10 -8.315 4.118 -6.823 1.00 0.00 C ATOM 145 C THR A 10 -7.313 4.090 -7.996 1.00 0.00 C ATOM 146 O THR A 10 -7.595 3.550 -9.061 1.00 0.00 O ATOM 147 CB THR A 10 -9.649 4.804 -7.181 1.00 0.00 C ATOM 148 OG1 THR A 10 -10.417 5.123 -6.026 1.00 0.00 O ATOM 149 CG2 THR A 10 -10.539 3.909 -8.045 1.00 0.00 C ATOM 0 H THR A 10 -8.221 5.742 -5.548 1.00 0.00 H new ATOM 0 HA THR A 10 -8.496 3.070 -6.586 1.00 0.00 H new ATOM 0 HB THR A 10 -9.361 5.708 -7.718 1.00 0.00 H new ATOM 0 HG1 THR A 10 -11.252 5.557 -6.298 1.00 0.00 H new ATOM 0 HG21 THR A 10 -11.468 4.432 -8.274 1.00 0.00 H new ATOM 0 HG22 THR A 10 -10.021 3.668 -8.973 1.00 0.00 H new ATOM 0 HG23 THR A 10 -10.764 2.989 -7.505 1.00 0.00 H new ATOM 157 N ASP A 11 -6.138 4.683 -7.801 1.00 0.00 N ATOM 158 CA ASP A 11 -5.006 4.768 -8.715 1.00 0.00 C ATOM 159 C ASP A 11 -3.802 3.945 -8.210 1.00 0.00 C ATOM 160 O ASP A 11 -2.725 3.993 -8.801 1.00 0.00 O ATOM 161 CB ASP A 11 -4.672 6.255 -8.859 1.00 0.00 C ATOM 162 CG ASP A 11 -3.634 6.555 -9.937 1.00 0.00 C ATOM 163 OD1 ASP A 11 -3.940 6.354 -11.139 1.00 0.00 O ATOM 164 OD2 ASP A 11 -2.589 7.144 -9.592 1.00 0.00 O ATOM 0 H ASP A 11 -5.938 5.158 -6.921 1.00 0.00 H new ATOM 0 HA ASP A 11 -5.256 4.340 -9.686 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.587 6.802 -9.087 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -4.307 6.629 -7.903 1.00 0.00 H new ATOM 169 N LEU A 12 -3.970 3.215 -7.096 1.00 0.00 N ATOM 170 CA LEU A 12 -2.973 2.344 -6.463 1.00 0.00 C ATOM 171 C LEU A 12 -2.609 1.197 -7.396 1.00 0.00 C ATOM 172 O LEU A 12 -3.456 0.347 -7.685 1.00 0.00 O ATOM 173 CB LEU A 12 -3.541 1.804 -5.133 1.00 0.00 C ATOM 174 CG LEU A 12 -2.626 0.960 -4.221 1.00 0.00 C ATOM 175 CD1 LEU A 12 -2.247 -0.434 -4.744 1.00 0.00 C ATOM 176 CD2 LEU A 12 -1.370 1.735 -3.817 1.00 0.00 C ATOM 0 H LEU A 12 -4.854 3.218 -6.587 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.067 2.915 -6.258 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.889 2.658 -4.552 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -4.418 1.201 -5.369 1.00 0.00 H new ATOM 0 HG LEU A 12 -3.248 0.769 -3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -1.603 -0.932 -4.019 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -3.151 -1.025 -4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -1.718 -0.336 -5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -0.748 1.111 -3.175 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.809 2.009 -4.710 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.657 2.638 -3.278 1.00 0.00 H new ATOM 188 N SER A 13 -1.364 1.139 -7.863 1.00 0.00 N ATOM 189 CA SER A 13 -0.811 -0.025 -8.544 1.00 0.00 C ATOM 190 C SER A 13 0.696 -0.120 -8.337 1.00 0.00 C ATOM 191 O SER A 13 1.326 0.840 -7.905 1.00 0.00 O ATOM 192 CB SER A 13 -1.175 0.043 -10.030 1.00 0.00 C ATOM 193 OG SER A 13 -2.581 0.082 -10.243 1.00 0.00 O ATOM 0 H SER A 13 -0.703 1.911 -7.777 1.00 0.00 H new ATOM 0 HA SER A 13 -1.242 -0.931 -8.118 1.00 0.00 H new ATOM 0 HB2 SER A 13 -0.719 0.928 -10.473 1.00 0.00 H new ATOM 0 HB3 SER A 13 -0.756 -0.822 -10.544 1.00 0.00 H new ATOM 0 HG SER A 13 -3.044 0.031 -9.381 1.00 0.00 H new ATOM 199 N PHE A 14 1.297 -1.274 -8.628 1.00 0.00 N ATOM 200 CA PHE A 14 2.729 -1.493 -8.447 1.00 0.00 C ATOM 201 C PHE A 14 3.442 -1.279 -9.779 1.00 0.00 C ATOM 202 O PHE A 14 2.797 -1.211 -10.829 1.00 0.00 O ATOM 203 CB PHE A 14 2.951 -2.869 -7.816 1.00 0.00 C ATOM 204 CG PHE A 14 2.140 -3.122 -6.550 1.00 0.00 C ATOM 205 CD1 PHE A 14 1.752 -2.070 -5.687 1.00 0.00 C ATOM 206 CD2 PHE A 14 1.755 -4.436 -6.240 1.00 0.00 C ATOM 207 CE1 PHE A 14 0.954 -2.332 -4.562 1.00 0.00 C ATOM 208 CE2 PHE A 14 0.971 -4.689 -5.104 1.00 0.00 C ATOM 209 CZ PHE A 14 0.544 -3.636 -4.286 1.00 0.00 C ATOM 0 H PHE A 14 0.801 -2.085 -8.997 1.00 0.00 H new ATOM 0 HA PHE A 14 3.165 -0.772 -7.755 1.00 0.00 H new ATOM 0 HB2 PHE A 14 2.703 -3.636 -8.550 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.010 -2.981 -7.583 1.00 0.00 H new ATOM 0 HD1 PHE A 14 2.072 -1.060 -5.895 1.00 0.00 H new ATOM 0 HD2 PHE A 14 2.062 -5.253 -6.876 1.00 0.00 H new ATOM 0 HE1 PHE A 14 0.658 -1.523 -3.910 1.00 0.00 H new ATOM 0 HE2 PHE A 14 0.695 -5.704 -4.859 1.00 0.00 H new ATOM 0 HZ PHE A 14 -0.102 -3.833 -3.443 1.00 0.00 H new ATOM 219 N VAL A 15 4.742 -1.036 -9.748 1.00 0.00 N ATOM 220 CA VAL A 15 5.602 -0.837 -10.910 1.00 0.00 C ATOM 221 C VAL A 15 6.972 -1.409 -10.570 1.00 0.00 C ATOM 222 O VAL A 15 7.239 -1.683 -9.404 1.00 0.00 O ATOM 223 CB VAL A 15 5.696 0.659 -11.303 1.00 0.00 C ATOM 224 CG1 VAL A 15 4.756 0.961 -12.474 1.00 0.00 C ATOM 225 CG2 VAL A 15 5.421 1.646 -10.155 1.00 0.00 C ATOM 0 H VAL A 15 5.255 -0.968 -8.869 1.00 0.00 H new ATOM 0 HA VAL A 15 5.183 -1.350 -11.776 1.00 0.00 H new ATOM 0 HB VAL A 15 6.736 0.814 -11.590 1.00 0.00 H new ATOM 0 HG11 VAL A 15 4.832 2.015 -12.739 1.00 0.00 H new ATOM 0 HG12 VAL A 15 5.036 0.350 -13.332 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.730 0.733 -12.185 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.509 2.668 -10.524 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.414 1.485 -9.770 1.00 0.00 H new ATOM 0 HG23 VAL A 15 6.145 1.485 -9.356 1.00 0.00 H new ATOM 235 N ASP A 16 7.855 -1.503 -11.566 1.00 0.00 N ATOM 236 CA ASP A 16 9.279 -1.799 -11.422 1.00 0.00 C ATOM 237 C ASP A 16 9.464 -2.998 -10.499 1.00 0.00 C ATOM 238 O ASP A 16 10.240 -2.958 -9.547 1.00 0.00 O ATOM 239 CB ASP A 16 10.052 -0.547 -10.988 1.00 0.00 C ATOM 240 CG ASP A 16 10.093 0.577 -12.024 1.00 0.00 C ATOM 241 OD1 ASP A 16 9.483 0.467 -13.117 1.00 0.00 O ATOM 242 OD2 ASP A 16 10.699 1.628 -11.724 1.00 0.00 O ATOM 0 H ASP A 16 7.583 -1.368 -12.540 1.00 0.00 H new ATOM 0 HA ASP A 16 9.704 -2.082 -12.385 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.604 -0.161 -10.072 1.00 0.00 H new ATOM 0 HB3 ASP A 16 11.075 -0.835 -10.746 1.00 0.00 H new ATOM 247 N ILE A 17 8.683 -4.048 -10.773 1.00 0.00 N ATOM 248 CA ILE A 17 8.660 -5.303 -10.036 1.00 0.00 C ATOM 249 C ILE A 17 9.854 -6.118 -10.550 1.00 0.00 C ATOM 250 O ILE A 17 9.699 -7.141 -11.225 1.00 0.00 O ATOM 251 CB ILE A 17 7.282 -5.996 -10.213 1.00 0.00 C ATOM 252 CG1 ILE A 17 6.078 -5.060 -9.909 1.00 0.00 C ATOM 253 CG2 ILE A 17 7.177 -7.220 -9.285 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.241 -4.779 -11.161 1.00 0.00 C ATOM 0 H ILE A 17 8.023 -4.040 -11.550 1.00 0.00 H new ATOM 0 HA ILE A 17 8.765 -5.173 -8.959 1.00 0.00 H new ATOM 0 HB ILE A 17 7.230 -6.287 -11.262 1.00 0.00 H new ATOM 0 HG12 ILE A 17 5.447 -5.516 -9.146 1.00 0.00 H new ATOM 0 HG13 ILE A 17 6.445 -4.119 -9.499 1.00 0.00 H new ATOM 0 HG21 ILE A 17 6.206 -7.696 -9.419 1.00 0.00 H new ATOM 0 HG22 ILE A 17 7.967 -7.931 -9.529 1.00 0.00 H new ATOM 0 HG23 ILE A 17 7.284 -6.901 -8.248 1.00 0.00 H new ATOM 0 HD11 ILE A 17 4.411 -4.121 -10.904 1.00 0.00 H new ATOM 0 HD12 ILE A 17 5.864 -4.298 -11.915 1.00 0.00 H new ATOM 0 HD13 ILE A 17 4.852 -5.717 -11.557 1.00 0.00 H new ATOM 266 N THR A 18 11.052 -5.587 -10.327 1.00 0.00 N ATOM 267 CA THR A 18 12.285 -6.353 -10.383 1.00 0.00 C ATOM 268 C THR A 18 12.332 -7.265 -9.148 1.00 0.00 C ATOM 269 O THR A 18 11.619 -7.049 -8.167 1.00 0.00 O ATOM 270 CB THR A 18 13.478 -5.378 -10.516 1.00 0.00 C ATOM 271 OG1 THR A 18 14.699 -6.077 -10.652 1.00 0.00 O ATOM 272 CG2 THR A 18 13.624 -4.388 -9.354 1.00 0.00 C ATOM 0 H THR A 18 11.192 -4.602 -10.100 1.00 0.00 H new ATOM 0 HA THR A 18 12.339 -7.004 -11.256 1.00 0.00 H new ATOM 0 HB THR A 18 13.253 -4.802 -11.414 1.00 0.00 H new ATOM 0 HG1 THR A 18 15.435 -5.436 -10.736 1.00 0.00 H new ATOM 0 HG21 THR A 18 14.485 -3.744 -9.531 1.00 0.00 H new ATOM 0 HG22 THR A 18 12.724 -3.778 -9.280 1.00 0.00 H new ATOM 0 HG23 THR A 18 13.767 -4.938 -8.424 1.00 0.00 H new ATOM 280 N ASP A 19 13.216 -8.262 -9.156 1.00 0.00 N ATOM 281 CA ASP A 19 13.304 -9.254 -8.084 1.00 0.00 C ATOM 282 C ASP A 19 13.958 -8.658 -6.827 1.00 0.00 C ATOM 283 O ASP A 19 14.081 -9.349 -5.813 1.00 0.00 O ATOM 284 CB ASP A 19 14.131 -10.470 -8.557 1.00 0.00 C ATOM 285 CG ASP A 19 13.473 -11.375 -9.601 1.00 0.00 C ATOM 286 OD1 ASP A 19 12.510 -10.980 -10.286 1.00 0.00 O ATOM 287 OD2 ASP A 19 13.977 -12.513 -9.771 1.00 0.00 O ATOM 0 H ASP A 19 13.892 -8.405 -9.906 1.00 0.00 H new ATOM 0 HA ASP A 19 12.290 -9.568 -7.835 1.00 0.00 H new ATOM 0 HB2 ASP A 19 15.073 -10.104 -8.966 1.00 0.00 H new ATOM 0 HB3 ASP A 19 14.377 -11.076 -7.685 1.00 0.00 H new ATOM 292 N SER A 20 14.407 -7.400 -6.865 1.00 0.00 N ATOM 293 CA SER A 20 15.240 -6.792 -5.838 1.00 0.00 C ATOM 294 C SER A 20 14.503 -5.804 -4.946 1.00 0.00 C ATOM 295 O SER A 20 14.991 -5.447 -3.869 1.00 0.00 O ATOM 296 CB SER A 20 16.451 -6.141 -6.519 1.00 0.00 C ATOM 297 OG SER A 20 16.090 -4.939 -7.197 1.00 0.00 O ATOM 0 H SER A 20 14.192 -6.765 -7.633 1.00 0.00 H new ATOM 0 HA SER A 20 15.562 -7.582 -5.160 1.00 0.00 H new ATOM 0 HB2 SER A 20 17.215 -5.923 -5.773 1.00 0.00 H new ATOM 0 HB3 SER A 20 16.890 -6.842 -7.229 1.00 0.00 H new ATOM 0 HG SER A 20 15.763 -4.283 -6.547 1.00 0.00 H new ATOM 303 N SER A 21 13.335 -5.356 -5.371 1.00 0.00 N ATOM 304 CA SER A 21 12.555 -4.276 -4.808 1.00 0.00 C ATOM 305 C SER A 21 11.317 -4.081 -5.687 1.00 0.00 C ATOM 306 O SER A 21 11.376 -4.356 -6.882 1.00 0.00 O ATOM 307 CB SER A 21 13.363 -2.965 -4.672 1.00 0.00 C ATOM 308 OG SER A 21 14.577 -2.884 -5.431 1.00 0.00 O ATOM 0 H SER A 21 12.875 -5.772 -6.181 1.00 0.00 H new ATOM 0 HA SER A 21 12.261 -4.541 -3.792 1.00 0.00 H new ATOM 0 HB2 SER A 21 12.720 -2.135 -4.966 1.00 0.00 H new ATOM 0 HB3 SER A 21 13.608 -2.822 -3.620 1.00 0.00 H new ATOM 0 HG SER A 21 15.005 -2.017 -5.272 1.00 0.00 H new ATOM 314 N ILE A 22 10.222 -3.568 -5.122 1.00 0.00 N ATOM 315 CA ILE A 22 8.984 -3.296 -5.856 1.00 0.00 C ATOM 316 C ILE A 22 8.687 -1.800 -5.751 1.00 0.00 C ATOM 317 O ILE A 22 8.846 -1.200 -4.684 1.00 0.00 O ATOM 318 CB ILE A 22 7.835 -4.206 -5.349 1.00 0.00 C ATOM 319 CG1 ILE A 22 6.687 -4.297 -6.373 1.00 0.00 C ATOM 320 CG2 ILE A 22 7.286 -3.738 -3.993 1.00 0.00 C ATOM 321 CD1 ILE A 22 5.582 -5.306 -6.001 1.00 0.00 C ATOM 0 H ILE A 22 10.169 -3.327 -4.132 1.00 0.00 H new ATOM 0 HA ILE A 22 9.090 -3.539 -6.913 1.00 0.00 H new ATOM 0 HB ILE A 22 8.266 -5.199 -5.220 1.00 0.00 H new ATOM 0 HG12 ILE A 22 6.238 -3.310 -6.486 1.00 0.00 H new ATOM 0 HG13 ILE A 22 7.102 -4.572 -7.343 1.00 0.00 H new ATOM 0 HG21 ILE A 22 6.483 -4.404 -3.676 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.085 -3.754 -3.252 1.00 0.00 H new ATOM 0 HG23 ILE A 22 6.900 -2.723 -4.088 1.00 0.00 H new ATOM 0 HD11 ILE A 22 4.814 -5.306 -6.775 1.00 0.00 H new ATOM 0 HD12 ILE A 22 6.013 -6.304 -5.917 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.136 -5.022 -5.048 1.00 0.00 H new ATOM 333 N GLY A 23 8.254 -1.177 -6.843 1.00 0.00 N ATOM 334 CA GLY A 23 7.758 0.190 -6.853 1.00 0.00 C ATOM 335 C GLY A 23 6.243 0.195 -6.673 1.00 0.00 C ATOM 336 O GLY A 23 5.549 -0.758 -7.036 1.00 0.00 O ATOM 0 H GLY A 23 8.239 -1.619 -7.762 1.00 0.00 H new ATOM 0 HA2 GLY A 23 8.230 0.763 -6.054 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.023 0.675 -7.792 1.00 0.00 H new ATOM 340 N LEU A 24 5.708 1.312 -6.189 1.00 0.00 N ATOM 341 CA LEU A 24 4.283 1.592 -6.139 1.00 0.00 C ATOM 342 C LEU A 24 4.068 2.876 -6.904 1.00 0.00 C ATOM 343 O LEU A 24 4.928 3.764 -6.908 1.00 0.00 O ATOM 344 CB LEU A 24 3.786 1.795 -4.704 1.00 0.00 C ATOM 345 CG LEU A 24 3.779 0.491 -3.892 1.00 0.00 C ATOM 346 CD1 LEU A 24 4.922 0.480 -2.889 1.00 0.00 C ATOM 347 CD2 LEU A 24 2.464 0.343 -3.122 1.00 0.00 C ATOM 0 H LEU A 24 6.276 2.070 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 24 3.735 0.749 -6.561 1.00 0.00 H new ATOM 0 HB2 LEU A 24 4.420 2.527 -4.204 1.00 0.00 H new ATOM 0 HB3 LEU A 24 2.778 2.210 -4.728 1.00 0.00 H new ATOM 0 HG LEU A 24 3.893 -0.335 -4.595 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.901 -0.451 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.871 0.561 -3.418 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.814 1.322 -2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.478 -0.587 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.345 1.184 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.631 0.326 -3.825 1.00 0.00 H new ATOM 359 N ARG A 25 2.865 3.059 -7.435 1.00 0.00 N ATOM 360 CA ARG A 25 2.431 4.348 -7.927 1.00 0.00 C ATOM 361 C ARG A 25 0.995 4.540 -7.478 1.00 0.00 C ATOM 362 O ARG A 25 0.213 3.586 -7.460 1.00 0.00 O ATOM 363 CB ARG A 25 2.603 4.406 -9.446 1.00 0.00 C ATOM 364 CG ARG A 25 2.559 5.850 -9.953 1.00 0.00 C ATOM 365 CD ARG A 25 2.822 5.883 -11.463 1.00 0.00 C ATOM 366 NE ARG A 25 1.628 6.334 -12.183 1.00 0.00 N ATOM 367 CZ ARG A 25 1.624 6.917 -13.383 1.00 0.00 C ATOM 368 NH1 ARG A 25 2.731 6.959 -14.129 1.00 0.00 N ATOM 369 NH2 ARG A 25 0.503 7.467 -13.830 1.00 0.00 N ATOM 0 H ARG A 25 2.171 2.318 -7.534 1.00 0.00 H new ATOM 0 HA ARG A 25 3.031 5.165 -7.526 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.552 3.949 -9.725 1.00 0.00 H new ATOM 0 HB3 ARG A 25 1.816 3.825 -9.926 1.00 0.00 H new ATOM 0 HG2 ARG A 25 1.586 6.291 -9.735 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.305 6.450 -9.432 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.657 6.550 -11.678 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.109 4.890 -11.810 1.00 0.00 H new ATOM 0 HE ARG A 25 0.726 6.190 -11.729 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.595 6.542 -13.783 1.00 0.00 H new ATOM 0 HH12 ARG A 25 2.712 7.408 -15.045 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -0.341 7.441 -13.258 1.00 0.00 H new ATOM 0 HH22 ARG A 25 0.485 7.916 -14.746 1.00 0.00 H new ATOM 383 N TRP A 26 0.667 5.754 -7.067 1.00 0.00 N ATOM 384 CA TRP A 26 -0.694 6.196 -6.848 1.00 0.00 C ATOM 385 C TRP A 26 -0.752 7.713 -7.049 1.00 0.00 C ATOM 386 O TRP A 26 0.267 8.375 -7.261 1.00 0.00 O ATOM 387 CB TRP A 26 -1.186 5.740 -5.456 1.00 0.00 C ATOM 388 CG TRP A 26 -0.476 6.324 -4.269 1.00 0.00 C ATOM 389 CD1 TRP A 26 -0.729 7.516 -3.674 1.00 0.00 C ATOM 390 CD2 TRP A 26 0.571 5.701 -3.463 1.00 0.00 C ATOM 391 NE1 TRP A 26 0.146 7.705 -2.629 1.00 0.00 N ATOM 392 CE2 TRP A 26 0.980 6.628 -2.463 1.00 0.00 C ATOM 393 CE3 TRP A 26 1.188 4.431 -3.443 1.00 0.00 C ATOM 394 CZ2 TRP A 26 2.001 6.342 -1.549 1.00 0.00 C ATOM 395 CZ3 TRP A 26 2.245 4.150 -2.560 1.00 0.00 C ATOM 396 CH2 TRP A 26 2.692 5.120 -1.654 1.00 0.00 C ATOM 0 H TRP A 26 1.361 6.476 -6.872 1.00 0.00 H new ATOM 0 HA TRP A 26 -1.374 5.741 -7.568 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -2.245 5.982 -5.373 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -1.102 4.655 -5.403 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -1.499 8.211 -3.974 1.00 0.00 H new ATOM 0 HE1 TRP A 26 0.172 8.543 -2.049 1.00 0.00 H new ATOM 0 HE3 TRP A 26 0.842 3.662 -4.118 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 2.255 7.049 -0.774 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 2.716 3.178 -2.580 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.561 4.932 -1.040 1.00 0.00 H new ATOM 407 N THR A 27 -1.955 8.266 -6.985 1.00 0.00 N ATOM 408 CA THR A 27 -2.225 9.684 -7.101 1.00 0.00 C ATOM 409 C THR A 27 -2.229 10.283 -5.695 1.00 0.00 C ATOM 410 O THR A 27 -3.100 9.928 -4.896 1.00 0.00 O ATOM 411 CB THR A 27 -3.531 9.895 -7.879 1.00 0.00 C ATOM 412 OG1 THR A 27 -3.276 9.679 -9.254 1.00 0.00 O ATOM 413 CG2 THR A 27 -4.111 11.300 -7.737 1.00 0.00 C ATOM 0 H THR A 27 -2.801 7.713 -6.845 1.00 0.00 H new ATOM 0 HA THR A 27 -1.454 10.203 -7.671 1.00 0.00 H new ATOM 0 HB THR A 27 -4.256 9.194 -7.465 1.00 0.00 H new ATOM 0 HG1 THR A 27 -2.701 8.893 -9.360 1.00 0.00 H new ATOM 0 HG21 THR A 27 -5.033 11.373 -8.314 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.323 11.502 -6.687 1.00 0.00 H new ATOM 0 HG23 THR A 27 -3.392 12.030 -8.108 1.00 0.00 H new ATOM 421 N PRO A 28 -1.204 11.062 -5.304 1.00 0.00 N ATOM 422 CA PRO A 28 -1.203 11.688 -3.993 1.00 0.00 C ATOM 423 C PRO A 28 -2.395 12.650 -3.898 1.00 0.00 C ATOM 424 O PRO A 28 -2.664 13.422 -4.821 1.00 0.00 O ATOM 425 CB PRO A 28 0.133 12.424 -3.893 1.00 0.00 C ATOM 426 CG PRO A 28 0.465 12.793 -5.341 1.00 0.00 C ATOM 427 CD PRO A 28 -0.233 11.715 -6.180 1.00 0.00 C ATOM 0 HA PRO A 28 -1.305 10.974 -3.176 1.00 0.00 H new ATOM 0 HB2 PRO A 28 0.054 13.311 -3.264 1.00 0.00 H new ATOM 0 HB3 PRO A 28 0.905 11.791 -3.456 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.100 13.789 -5.591 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.541 12.796 -5.513 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -0.728 12.158 -7.044 1.00 0.00 H new ATOM 0 HD3 PRO A 28 0.490 10.994 -6.562 1.00 0.00 H new ATOM 435 N LEU A 29 -3.116 12.595 -2.777 1.00 0.00 N ATOM 436 CA LEU A 29 -4.163 13.557 -2.477 1.00 0.00 C ATOM 437 C LEU A 29 -3.649 14.775 -1.739 1.00 0.00 C ATOM 438 O LEU A 29 -4.221 15.848 -1.946 1.00 0.00 O ATOM 439 CB LEU A 29 -5.379 12.950 -1.768 1.00 0.00 C ATOM 440 CG LEU A 29 -5.890 11.646 -2.413 1.00 0.00 C ATOM 441 CD1 LEU A 29 -5.345 10.364 -1.775 1.00 0.00 C ATOM 442 CD2 LEU A 29 -7.421 11.639 -2.390 1.00 0.00 C ATOM 0 H LEU A 29 -2.987 11.883 -2.058 1.00 0.00 H new ATOM 0 HA LEU A 29 -4.513 13.890 -3.454 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -5.120 12.752 -0.728 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -6.187 13.682 -1.762 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.513 11.641 -3.436 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -5.757 9.497 -2.291 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.258 10.351 -1.855 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.632 10.330 -0.724 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -7.788 10.719 -2.845 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.770 11.698 -1.359 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.797 12.495 -2.950 1.00 0.00 H new ATOM 454 N ASN A 30 -2.584 14.620 -0.931 1.00 0.00 N ATOM 455 CA ASN A 30 -2.001 15.687 -0.109 1.00 0.00 C ATOM 456 C ASN A 30 -3.075 16.545 0.581 1.00 0.00 C ATOM 457 O ASN A 30 -2.944 17.765 0.673 1.00 0.00 O ATOM 458 CB ASN A 30 -0.958 16.498 -0.907 1.00 0.00 C ATOM 459 CG ASN A 30 -1.515 17.217 -2.131 1.00 0.00 C ATOM 460 OD1 ASN A 30 -2.026 18.330 -2.058 1.00 0.00 O ATOM 461 ND2 ASN A 30 -1.419 16.608 -3.300 1.00 0.00 N ATOM 0 H ASN A 30 -2.097 13.729 -0.832 1.00 0.00 H new ATOM 0 HA ASN A 30 -1.453 15.222 0.711 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -0.505 17.235 -0.244 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -0.162 15.826 -1.228 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -1.770 17.063 -4.143 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -0.994 15.683 -3.360 1.00 0.00 H new ATOM 468 N SER A 31 -4.162 15.900 1.028 1.00 0.00 N ATOM 469 CA SER A 31 -5.383 16.570 1.461 1.00 0.00 C ATOM 470 C SER A 31 -5.092 17.468 2.681 1.00 0.00 C ATOM 471 O SER A 31 -4.050 17.341 3.332 1.00 0.00 O ATOM 472 CB SER A 31 -6.454 15.507 1.779 1.00 0.00 C ATOM 473 OG SER A 31 -6.553 15.199 3.139 1.00 0.00 O ATOM 0 H SER A 31 -4.212 14.884 1.097 1.00 0.00 H new ATOM 0 HA SER A 31 -5.759 17.213 0.666 1.00 0.00 H new ATOM 0 HB2 SER A 31 -7.422 15.862 1.424 1.00 0.00 H new ATOM 0 HB3 SER A 31 -6.225 14.597 1.225 1.00 0.00 H new ATOM 0 HG SER A 31 -7.249 14.522 3.271 1.00 0.00 H new ATOM 479 N SER A 32 -6.053 18.301 3.077 1.00 0.00 N ATOM 480 CA SER A 32 -5.964 19.159 4.255 1.00 0.00 C ATOM 481 C SER A 32 -5.956 18.391 5.593 1.00 0.00 C ATOM 482 O SER A 32 -5.898 19.012 6.656 1.00 0.00 O ATOM 483 CB SER A 32 -7.142 20.138 4.190 1.00 0.00 C ATOM 484 OG SER A 32 -8.342 19.453 3.881 1.00 0.00 O ATOM 0 H SER A 32 -6.935 18.400 2.575 1.00 0.00 H new ATOM 0 HA SER A 32 -5.006 19.678 4.234 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.247 20.654 5.145 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.947 20.900 3.436 1.00 0.00 H new ATOM 0 HG SER A 32 -9.084 20.092 3.845 1.00 0.00 H new ATOM 490 N THR A 33 -6.072 17.058 5.593 1.00 0.00 N ATOM 491 CA THR A 33 -6.410 16.293 6.792 1.00 0.00 C ATOM 492 C THR A 33 -6.018 14.807 6.686 1.00 0.00 C ATOM 493 O THR A 33 -6.199 14.014 7.612 1.00 0.00 O ATOM 494 CB THR A 33 -7.905 16.568 7.045 1.00 0.00 C ATOM 495 OG1 THR A 33 -7.968 17.486 8.117 1.00 0.00 O ATOM 496 CG2 THR A 33 -8.798 15.379 7.394 1.00 0.00 C ATOM 0 H THR A 33 -5.934 16.483 4.762 1.00 0.00 H new ATOM 0 HA THR A 33 -5.830 16.608 7.660 1.00 0.00 H new ATOM 0 HB THR A 33 -8.299 16.923 6.093 1.00 0.00 H new ATOM 0 HG1 THR A 33 -7.348 18.226 7.951 1.00 0.00 H new ATOM 0 HG21 THR A 33 -9.821 15.724 7.544 1.00 0.00 H new ATOM 0 HG22 THR A 33 -8.775 14.655 6.579 1.00 0.00 H new ATOM 0 HG23 THR A 33 -8.436 14.908 8.308 1.00 0.00 H new ATOM 504 N ILE A 34 -5.519 14.395 5.529 1.00 0.00 N ATOM 505 CA ILE A 34 -4.800 13.154 5.366 1.00 0.00 C ATOM 506 C ILE A 34 -3.646 13.162 6.383 1.00 0.00 C ATOM 507 O ILE A 34 -3.031 14.206 6.622 1.00 0.00 O ATOM 508 CB ILE A 34 -4.342 13.026 3.889 1.00 0.00 C ATOM 509 CG1 ILE A 34 -4.033 11.577 3.531 1.00 0.00 C ATOM 510 CG2 ILE A 34 -3.169 13.956 3.597 1.00 0.00 C ATOM 511 CD1 ILE A 34 -3.237 11.326 2.252 1.00 0.00 C ATOM 0 H ILE A 34 -5.608 14.929 4.665 1.00 0.00 H new ATOM 0 HA ILE A 34 -5.414 12.276 5.566 1.00 0.00 H new ATOM 0 HB ILE A 34 -5.166 13.341 3.249 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -3.484 11.134 4.362 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -4.978 11.040 3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -2.868 13.846 2.555 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -3.468 14.988 3.781 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -2.331 13.700 4.246 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -3.089 10.254 2.120 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -3.785 11.725 1.398 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -2.268 11.820 2.324 1.00 0.00 H new ATOM 523 N ILE A 35 -3.311 12.001 6.927 1.00 0.00 N ATOM 524 CA ILE A 35 -2.024 11.777 7.559 1.00 0.00 C ATOM 525 C ILE A 35 -1.088 11.405 6.415 1.00 0.00 C ATOM 526 O ILE A 35 -0.192 12.165 6.072 1.00 0.00 O ATOM 527 CB ILE A 35 -2.127 10.701 8.665 1.00 0.00 C ATOM 528 CG1 ILE A 35 -2.879 11.236 9.900 1.00 0.00 C ATOM 529 CG2 ILE A 35 -0.748 10.205 9.125 1.00 0.00 C ATOM 530 CD1 ILE A 35 -4.391 11.057 9.808 1.00 0.00 C ATOM 0 H ILE A 35 -3.927 11.188 6.941 1.00 0.00 H new ATOM 0 HA ILE A 35 -1.645 12.654 8.085 1.00 0.00 H new ATOM 0 HB ILE A 35 -2.677 9.871 8.221 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -2.513 10.724 10.790 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.652 12.295 10.025 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.873 9.451 9.902 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.217 9.769 8.279 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -0.174 11.042 9.521 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -4.860 11.454 10.708 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.768 11.592 8.936 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.627 9.997 9.713 1.00 0.00 H new ATOM 542 N GLY A 36 -1.334 10.257 5.786 1.00 0.00 N ATOM 543 CA GLY A 36 -0.363 9.608 4.931 1.00 0.00 C ATOM 544 C GLY A 36 -0.963 8.345 4.343 1.00 0.00 C ATOM 545 O GLY A 36 -2.185 8.225 4.214 1.00 0.00 O ATOM 0 H GLY A 36 -2.219 9.755 5.861 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -0.059 10.284 4.132 1.00 0.00 H new ATOM 0 HA3 GLY A 36 0.533 9.365 5.502 1.00 0.00 H new ATOM 549 N TYR A 37 -0.100 7.393 3.998 1.00 0.00 N ATOM 550 CA TYR A 37 -0.484 6.067 3.548 1.00 0.00 C ATOM 551 C TYR A 37 0.441 5.088 4.264 1.00 0.00 C ATOM 552 O TYR A 37 1.608 5.396 4.507 1.00 0.00 O ATOM 553 CB TYR A 37 -0.414 5.948 2.000 1.00 0.00 C ATOM 554 CG TYR A 37 -0.892 7.159 1.215 1.00 0.00 C ATOM 555 CD1 TYR A 37 -0.024 8.236 0.943 1.00 0.00 C ATOM 556 CD2 TYR A 37 -2.223 7.201 0.767 1.00 0.00 C ATOM 557 CE1 TYR A 37 -0.513 9.369 0.252 1.00 0.00 C ATOM 558 CE2 TYR A 37 -2.713 8.322 0.079 1.00 0.00 C ATOM 559 CZ TYR A 37 -1.856 9.413 -0.162 1.00 0.00 C ATOM 560 OH TYR A 37 -2.344 10.544 -0.729 1.00 0.00 O ATOM 0 H TYR A 37 0.910 7.530 4.026 1.00 0.00 H new ATOM 0 HA TYR A 37 -1.523 5.846 3.794 1.00 0.00 H new ATOM 0 HB2 TYR A 37 0.618 5.742 1.718 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -1.006 5.085 1.695 1.00 0.00 H new ATOM 0 HD1 TYR A 37 1.008 8.196 1.260 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -2.876 6.362 0.954 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.145 10.200 0.043 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -3.737 8.348 -0.262 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.636 11.221 -0.771 1.00 0.00 H new ATOM 570 N ARG A 38 -0.094 3.930 4.624 1.00 0.00 N ATOM 571 CA ARG A 38 0.564 2.905 5.413 1.00 0.00 C ATOM 572 C ARG A 38 0.625 1.672 4.546 1.00 0.00 C ATOM 573 O ARG A 38 -0.425 1.201 4.088 1.00 0.00 O ATOM 574 CB ARG A 38 -0.240 2.687 6.701 1.00 0.00 C ATOM 575 CG ARG A 38 0.223 1.531 7.600 1.00 0.00 C ATOM 576 CD ARG A 38 -0.440 0.199 7.206 1.00 0.00 C ATOM 577 NE ARG A 38 -0.448 -0.759 8.324 1.00 0.00 N ATOM 578 CZ ARG A 38 -1.126 -1.915 8.356 1.00 0.00 C ATOM 579 NH1 ARG A 38 -1.847 -2.322 7.311 1.00 0.00 N ATOM 580 NH2 ARG A 38 -1.090 -2.677 9.444 1.00 0.00 N ATOM 0 H ARG A 38 -1.044 3.670 4.360 1.00 0.00 H new ATOM 0 HA ARG A 38 1.575 3.178 5.714 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -0.210 3.608 7.284 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -1.282 2.515 6.430 1.00 0.00 H new ATOM 0 HG2 ARG A 38 1.306 1.431 7.534 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -0.013 1.761 8.639 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -1.463 0.385 6.879 1.00 0.00 H new ATOM 0 HD3 ARG A 38 0.091 -0.235 6.359 1.00 0.00 H new ATOM 0 HE ARG A 38 0.110 -0.523 9.144 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -1.890 -1.750 6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -2.356 -3.205 7.355 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -0.546 -2.382 10.255 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -1.606 -3.557 9.468 1.00 0.00 H new ATOM 594 N ILE A 39 1.819 1.146 4.318 1.00 0.00 N ATOM 595 CA ILE A 39 2.030 -0.071 3.563 1.00 0.00 C ATOM 596 C ILE A 39 2.333 -1.176 4.572 1.00 0.00 C ATOM 597 O ILE A 39 2.850 -0.938 5.659 1.00 0.00 O ATOM 598 CB ILE A 39 3.082 0.154 2.448 1.00 0.00 C ATOM 599 CG1 ILE A 39 2.445 0.986 1.305 1.00 0.00 C ATOM 600 CG2 ILE A 39 3.571 -1.171 1.833 1.00 0.00 C ATOM 601 CD1 ILE A 39 2.475 2.508 1.512 1.00 0.00 C ATOM 0 H ILE A 39 2.683 1.565 4.661 1.00 0.00 H new ATOM 0 HA ILE A 39 1.148 -0.387 3.005 1.00 0.00 H new ATOM 0 HB ILE A 39 3.928 0.668 2.905 1.00 0.00 H new ATOM 0 HG12 ILE A 39 2.962 0.751 0.374 1.00 0.00 H new ATOM 0 HG13 ILE A 39 1.408 0.672 1.182 1.00 0.00 H new ATOM 0 HG21 ILE A 39 4.307 -0.962 1.057 1.00 0.00 H new ATOM 0 HG22 ILE A 39 4.027 -1.786 2.609 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.726 -1.704 1.398 1.00 0.00 H new ATOM 0 HD11 ILE A 39 2.007 3.000 0.660 1.00 0.00 H new ATOM 0 HD12 ILE A 39 1.931 2.762 2.422 1.00 0.00 H new ATOM 0 HD13 ILE A 39 3.508 2.843 1.601 1.00 0.00 H new ATOM 613 N THR A 40 1.907 -2.390 4.257 1.00 0.00 N ATOM 614 CA THR A 40 2.191 -3.602 5.008 1.00 0.00 C ATOM 615 C THR A 40 2.319 -4.763 4.031 1.00 0.00 C ATOM 616 O THR A 40 1.339 -5.144 3.388 1.00 0.00 O ATOM 617 CB THR A 40 1.105 -3.783 6.071 1.00 0.00 C ATOM 618 OG1 THR A 40 1.387 -2.867 7.103 1.00 0.00 O ATOM 619 CG2 THR A 40 1.066 -5.179 6.690 1.00 0.00 C ATOM 0 H THR A 40 1.329 -2.564 3.435 1.00 0.00 H new ATOM 0 HA THR A 40 3.139 -3.548 5.543 1.00 0.00 H new ATOM 0 HB THR A 40 0.141 -3.625 5.588 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.949 -2.144 6.754 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.270 -5.225 7.433 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.878 -5.917 5.911 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.022 -5.392 7.169 1.00 0.00 H new ATOM 627 N VAL A 41 3.524 -5.308 3.899 1.00 0.00 N ATOM 628 CA VAL A 41 3.791 -6.499 3.100 1.00 0.00 C ATOM 629 C VAL A 41 3.817 -7.738 3.976 1.00 0.00 C ATOM 630 O VAL A 41 4.497 -7.768 5.008 1.00 0.00 O ATOM 631 CB VAL A 41 5.061 -6.395 2.226 1.00 0.00 C ATOM 632 CG1 VAL A 41 4.696 -6.484 0.754 1.00 0.00 C ATOM 633 CG2 VAL A 41 5.795 -5.044 2.352 1.00 0.00 C ATOM 0 H VAL A 41 4.356 -4.929 4.351 1.00 0.00 H new ATOM 0 HA VAL A 41 2.964 -6.584 2.395 1.00 0.00 H new ATOM 0 HB VAL A 41 5.697 -7.208 2.575 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.600 -6.409 0.150 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.206 -7.438 0.558 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.020 -5.669 0.497 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.675 -5.047 1.709 1.00 0.00 H new ATOM 0 HG22 VAL A 41 5.127 -4.238 2.049 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.102 -4.892 3.387 1.00 0.00 H new ATOM 643 N VAL A 42 3.097 -8.765 3.533 1.00 0.00 N ATOM 644 CA VAL A 42 3.096 -10.075 4.170 1.00 0.00 C ATOM 645 C VAL A 42 3.260 -11.145 3.078 1.00 0.00 C ATOM 646 O VAL A 42 3.025 -10.871 1.901 1.00 0.00 O ATOM 647 CB VAL A 42 1.842 -10.235 5.072 1.00 0.00 C ATOM 648 CG1 VAL A 42 1.403 -8.943 5.789 1.00 0.00 C ATOM 649 CG2 VAL A 42 0.640 -10.737 4.291 1.00 0.00 C ATOM 0 H VAL A 42 2.492 -8.709 2.713 1.00 0.00 H new ATOM 0 HA VAL A 42 3.938 -10.196 4.852 1.00 0.00 H new ATOM 0 HB VAL A 42 2.161 -10.960 5.820 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.521 -9.146 6.397 1.00 0.00 H new ATOM 0 HG12 VAL A 42 2.211 -8.590 6.429 1.00 0.00 H new ATOM 0 HG13 VAL A 42 1.166 -8.179 5.049 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.214 -10.834 4.961 1.00 0.00 H new ATOM 0 HG22 VAL A 42 0.400 -10.029 3.498 1.00 0.00 H new ATOM 0 HG23 VAL A 42 0.870 -11.708 3.853 1.00 0.00 H new ATOM 659 N ALA A 43 3.604 -12.377 3.458 1.00 0.00 N ATOM 660 CA ALA A 43 3.554 -13.529 2.572 1.00 0.00 C ATOM 661 C ALA A 43 2.115 -14.031 2.571 1.00 0.00 C ATOM 662 O ALA A 43 1.626 -14.513 3.598 1.00 0.00 O ATOM 663 CB ALA A 43 4.516 -14.621 3.046 1.00 0.00 C ATOM 0 H ALA A 43 3.927 -12.599 4.399 1.00 0.00 H new ATOM 0 HA ALA A 43 3.863 -13.254 1.564 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.462 -15.473 2.368 1.00 0.00 H new ATOM 0 HB2 ALA A 43 5.533 -14.230 3.057 1.00 0.00 H new ATOM 0 HB3 ALA A 43 4.239 -14.939 4.051 1.00 0.00 H new ATOM 669 N ALA A 44 1.445 -13.932 1.428 1.00 0.00 N ATOM 670 CA ALA A 44 0.046 -14.305 1.235 1.00 0.00 C ATOM 671 C ALA A 44 -0.223 -15.803 1.468 1.00 0.00 C ATOM 672 O ALA A 44 -1.384 -16.209 1.487 1.00 0.00 O ATOM 673 CB ALA A 44 -0.394 -13.887 -0.176 1.00 0.00 C ATOM 0 H ALA A 44 1.878 -13.576 0.576 1.00 0.00 H new ATOM 0 HA ALA A 44 -0.542 -13.778 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -1.438 -14.162 -0.328 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.283 -12.808 -0.287 1.00 0.00 H new ATOM 0 HB3 ALA A 44 0.226 -14.394 -0.916 1.00 0.00 H new ATOM 679 N GLY A 45 0.815 -16.616 1.690 1.00 0.00 N ATOM 680 CA GLY A 45 0.703 -18.056 1.885 1.00 0.00 C ATOM 681 C GLY A 45 0.573 -18.497 3.348 1.00 0.00 C ATOM 682 O GLY A 45 0.180 -19.638 3.586 1.00 0.00 O ATOM 0 H GLY A 45 1.776 -16.278 1.739 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -0.164 -18.417 1.333 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.580 -18.537 1.451 1.00 0.00 H new ATOM 686 N GLU A 46 0.909 -17.645 4.333 1.00 0.00 N ATOM 687 CA GLU A 46 0.670 -17.972 5.750 1.00 0.00 C ATOM 688 C GLU A 46 0.437 -16.708 6.595 1.00 0.00 C ATOM 689 O GLU A 46 0.625 -16.717 7.810 1.00 0.00 O ATOM 690 CB GLU A 46 1.816 -18.864 6.272 1.00 0.00 C ATOM 691 CG GLU A 46 1.567 -19.620 7.589 1.00 0.00 C ATOM 692 CD GLU A 46 0.218 -20.342 7.668 1.00 0.00 C ATOM 693 OE1 GLU A 46 -0.201 -20.998 6.681 1.00 0.00 O ATOM 694 OE2 GLU A 46 -0.432 -20.281 8.733 1.00 0.00 O ATOM 0 H GLU A 46 1.342 -16.735 4.177 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.254 -18.543 5.841 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.054 -19.596 5.501 1.00 0.00 H new ATOM 0 HB3 GLU A 46 2.700 -18.239 6.402 1.00 0.00 H new ATOM 0 HG2 GLU A 46 2.364 -20.351 7.729 1.00 0.00 H new ATOM 0 HG3 GLU A 46 1.634 -18.913 8.416 1.00 0.00 H new ATOM 701 N GLY A 47 0.131 -15.573 5.957 1.00 0.00 N ATOM 702 CA GLY A 47 -0.052 -14.283 6.618 1.00 0.00 C ATOM 703 C GLY A 47 1.217 -13.718 7.267 1.00 0.00 C ATOM 704 O GLY A 47 1.142 -12.649 7.885 1.00 0.00 O ATOM 0 H GLY A 47 0.002 -15.528 4.946 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.423 -13.564 5.888 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -0.822 -14.386 7.383 1.00 0.00 H new ATOM 708 N ILE A 48 2.351 -14.415 7.149 1.00 0.00 N ATOM 709 CA ILE A 48 3.667 -14.079 7.684 1.00 0.00 C ATOM 710 C ILE A 48 3.978 -12.602 7.406 1.00 0.00 C ATOM 711 O ILE A 48 4.193 -12.255 6.244 1.00 0.00 O ATOM 712 CB ILE A 48 4.737 -15.086 7.195 1.00 0.00 C ATOM 713 CG1 ILE A 48 4.619 -16.363 8.055 1.00 0.00 C ATOM 714 CG2 ILE A 48 6.178 -14.536 7.250 1.00 0.00 C ATOM 715 CD1 ILE A 48 5.595 -17.468 7.649 1.00 0.00 C ATOM 0 H ILE A 48 2.370 -15.297 6.637 1.00 0.00 H new ATOM 0 HA ILE A 48 3.677 -14.182 8.769 1.00 0.00 H new ATOM 0 HB ILE A 48 4.544 -15.294 6.143 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.791 -16.104 9.100 1.00 0.00 H new ATOM 0 HG13 ILE A 48 3.601 -16.745 7.984 1.00 0.00 H new ATOM 0 HG21 ILE A 48 6.872 -15.297 6.893 1.00 0.00 H new ATOM 0 HG22 ILE A 48 6.254 -13.651 6.619 1.00 0.00 H new ATOM 0 HG23 ILE A 48 6.428 -14.272 8.278 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.455 -18.334 8.296 1.00 0.00 H new ATOM 0 HD12 ILE A 48 5.409 -17.755 6.614 1.00 0.00 H new ATOM 0 HD13 ILE A 48 6.618 -17.104 7.747 1.00 0.00 H new ATOM 727 N PRO A 49 3.931 -11.715 8.414 1.00 0.00 N ATOM 728 CA PRO A 49 4.171 -10.296 8.228 1.00 0.00 C ATOM 729 C PRO A 49 5.670 -10.035 8.041 1.00 0.00 C ATOM 730 O PRO A 49 6.468 -10.420 8.896 1.00 0.00 O ATOM 731 CB PRO A 49 3.618 -9.657 9.499 1.00 0.00 C ATOM 732 CG PRO A 49 3.831 -10.708 10.583 1.00 0.00 C ATOM 733 CD PRO A 49 3.718 -12.024 9.825 1.00 0.00 C ATOM 0 HA PRO A 49 3.694 -9.884 7.339 1.00 0.00 H new ATOM 0 HB2 PRO A 49 4.141 -8.731 9.737 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.562 -9.408 9.390 1.00 0.00 H new ATOM 0 HG2 PRO A 49 4.805 -10.601 11.060 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.081 -10.632 11.370 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.459 -12.740 10.180 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.738 -12.476 9.979 1.00 0.00 H new ATOM 741 N ILE A 50 6.069 -9.390 6.936 1.00 0.00 N ATOM 742 CA ILE A 50 7.474 -9.033 6.733 1.00 0.00 C ATOM 743 C ILE A 50 7.739 -7.693 7.431 1.00 0.00 C ATOM 744 O ILE A 50 8.601 -7.655 8.315 1.00 0.00 O ATOM 745 CB ILE A 50 7.887 -9.073 5.241 1.00 0.00 C ATOM 746 CG1 ILE A 50 8.060 -10.517 4.712 1.00 0.00 C ATOM 747 CG2 ILE A 50 9.248 -8.400 5.030 1.00 0.00 C ATOM 748 CD1 ILE A 50 6.748 -11.230 4.394 1.00 0.00 C ATOM 0 H ILE A 50 5.445 -9.109 6.179 1.00 0.00 H new ATOM 0 HA ILE A 50 8.120 -9.782 7.192 1.00 0.00 H new ATOM 0 HB ILE A 50 7.084 -8.560 4.711 1.00 0.00 H new ATOM 0 HG12 ILE A 50 8.673 -10.491 3.811 1.00 0.00 H new ATOM 0 HG13 ILE A 50 8.607 -11.100 5.453 1.00 0.00 H new ATOM 0 HG21 ILE A 50 9.515 -8.442 3.974 1.00 0.00 H new ATOM 0 HG22 ILE A 50 9.193 -7.359 5.350 1.00 0.00 H new ATOM 0 HG23 ILE A 50 10.006 -8.920 5.616 1.00 0.00 H new ATOM 0 HD11 ILE A 50 6.959 -12.235 4.029 1.00 0.00 H new ATOM 0 HD12 ILE A 50 6.139 -11.292 5.296 1.00 0.00 H new ATOM 0 HD13 ILE A 50 6.207 -10.673 3.629 1.00 0.00 H new ATOM 760 N PHE A 51 7.040 -6.611 7.057 1.00 0.00 N ATOM 761 CA PHE A 51 7.066 -5.350 7.797 1.00 0.00 C ATOM 762 C PHE A 51 5.899 -4.453 7.382 1.00 0.00 C ATOM 763 O PHE A 51 5.232 -4.713 6.370 1.00 0.00 O ATOM 764 CB PHE A 51 8.416 -4.605 7.671 1.00 0.00 C ATOM 765 CG PHE A 51 8.689 -3.742 6.444 1.00 0.00 C ATOM 766 CD1 PHE A 51 8.441 -4.207 5.140 1.00 0.00 C ATOM 767 CD2 PHE A 51 9.277 -2.473 6.613 1.00 0.00 C ATOM 768 CE1 PHE A 51 8.753 -3.404 4.028 1.00 0.00 C ATOM 769 CE2 PHE A 51 9.620 -1.686 5.504 1.00 0.00 C ATOM 770 CZ PHE A 51 9.341 -2.140 4.208 1.00 0.00 C ATOM 0 H PHE A 51 6.441 -6.590 6.231 1.00 0.00 H new ATOM 0 HA PHE A 51 6.953 -5.603 8.851 1.00 0.00 H new ATOM 0 HB2 PHE A 51 8.519 -3.966 8.548 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.207 -5.353 7.726 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.009 -5.186 4.992 1.00 0.00 H new ATOM 0 HD2 PHE A 51 9.466 -2.101 7.609 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.540 -3.760 3.031 1.00 0.00 H new ATOM 0 HE2 PHE A 51 10.100 -0.729 5.649 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.576 -1.523 3.353 1.00 0.00 H new ATOM 780 N GLU A 52 5.700 -3.382 8.150 1.00 0.00 N ATOM 781 CA GLU A 52 4.921 -2.213 7.779 1.00 0.00 C ATOM 782 C GLU A 52 5.887 -1.057 7.499 1.00 0.00 C ATOM 783 O GLU A 52 6.998 -1.044 8.032 1.00 0.00 O ATOM 784 CB GLU A 52 3.910 -1.868 8.893 1.00 0.00 C ATOM 785 CG GLU A 52 4.547 -1.241 10.146 1.00 0.00 C ATOM 786 CD GLU A 52 3.578 -0.993 11.310 1.00 0.00 C ATOM 787 OE1 GLU A 52 2.376 -1.341 11.245 1.00 0.00 O ATOM 788 OE2 GLU A 52 4.051 -0.505 12.367 1.00 0.00 O ATOM 0 H GLU A 52 6.097 -3.308 9.087 1.00 0.00 H new ATOM 0 HA GLU A 52 4.341 -2.410 6.878 1.00 0.00 H new ATOM 0 HB2 GLU A 52 3.166 -1.179 8.493 1.00 0.00 H new ATOM 0 HB3 GLU A 52 3.381 -2.776 9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.349 -1.893 10.493 1.00 0.00 H new ATOM 0 HG3 GLU A 52 5.006 -0.293 9.866 1.00 0.00 H new ATOM 795 N ASP A 53 5.446 -0.075 6.716 1.00 0.00 N ATOM 796 CA ASP A 53 6.204 1.122 6.353 1.00 0.00 C ATOM 797 C ASP A 53 5.202 2.244 6.073 1.00 0.00 C ATOM 798 O ASP A 53 3.997 1.997 5.921 1.00 0.00 O ATOM 799 CB ASP A 53 7.091 0.843 5.131 1.00 0.00 C ATOM 800 CG ASP A 53 8.216 1.865 4.880 1.00 0.00 C ATOM 801 OD1 ASP A 53 8.410 2.813 5.671 1.00 0.00 O ATOM 802 OD2 ASP A 53 8.909 1.729 3.831 1.00 0.00 O ATOM 0 H ASP A 53 4.515 -0.091 6.300 1.00 0.00 H new ATOM 0 HA ASP A 53 6.867 1.419 7.166 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.540 -0.144 5.247 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.457 0.802 4.245 1.00 0.00 H new ATOM 807 N PHE A 54 5.671 3.482 6.003 1.00 0.00 N ATOM 808 CA PHE A 54 4.856 4.668 5.828 1.00 0.00 C ATOM 809 C PHE A 54 5.464 5.563 4.761 1.00 0.00 C ATOM 810 O PHE A 54 6.652 5.483 4.433 1.00 0.00 O ATOM 811 CB PHE A 54 4.730 5.427 7.157 1.00 0.00 C ATOM 812 CG PHE A 54 3.306 5.550 7.656 1.00 0.00 C ATOM 813 CD1 PHE A 54 2.505 6.636 7.253 1.00 0.00 C ATOM 814 CD2 PHE A 54 2.795 4.602 8.559 1.00 0.00 C ATOM 815 CE1 PHE A 54 1.218 6.807 7.786 1.00 0.00 C ATOM 816 CE2 PHE A 54 1.503 4.766 9.090 1.00 0.00 C ATOM 817 CZ PHE A 54 0.725 5.874 8.712 1.00 0.00 C ATOM 0 H PHE A 54 6.667 3.692 6.069 1.00 0.00 H new ATOM 0 HA PHE A 54 3.859 4.368 5.506 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.328 4.919 7.913 1.00 0.00 H new ATOM 0 HB3 PHE A 54 5.151 6.425 7.036 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.884 7.342 6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 54 3.393 3.749 8.845 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.612 7.649 7.486 1.00 0.00 H new ATOM 0 HE2 PHE A 54 1.109 4.041 9.787 1.00 0.00 H new ATOM 0 HZ PHE A 54 -0.259 6.009 9.137 1.00 0.00 H new ATOM 827 N VAL A 55 4.635 6.458 4.240 1.00 0.00 N ATOM 828 CA VAL A 55 5.000 7.515 3.319 1.00 0.00 C ATOM 829 C VAL A 55 4.511 8.839 3.911 1.00 0.00 C ATOM 830 O VAL A 55 3.958 8.863 5.013 1.00 0.00 O ATOM 831 CB VAL A 55 4.435 7.178 1.920 1.00 0.00 C ATOM 832 CG1 VAL A 55 5.549 6.686 0.999 1.00 0.00 C ATOM 833 CG2 VAL A 55 3.286 6.158 1.912 1.00 0.00 C ATOM 0 H VAL A 55 3.640 6.462 4.463 1.00 0.00 H new ATOM 0 HA VAL A 55 6.077 7.610 3.184 1.00 0.00 H new ATOM 0 HB VAL A 55 4.011 8.115 1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 55 5.134 6.453 0.018 1.00 0.00 H new ATOM 0 HG12 VAL A 55 6.307 7.463 0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 55 6.003 5.790 1.423 1.00 0.00 H new ATOM 0 HG21 VAL A 55 2.958 5.988 0.887 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.631 5.218 2.344 1.00 0.00 H new ATOM 0 HG23 VAL A 55 2.453 6.544 2.500 1.00 0.00 H new ATOM 843 N ASP A 56 4.685 9.938 3.175 1.00 0.00 N ATOM 844 CA ASP A 56 4.611 11.255 3.794 1.00 0.00 C ATOM 845 C ASP A 56 3.176 11.748 3.914 1.00 0.00 C ATOM 846 O ASP A 56 2.692 11.948 5.021 1.00 0.00 O ATOM 847 CB ASP A 56 5.474 12.264 3.032 1.00 0.00 C ATOM 848 CG ASP A 56 5.929 13.402 3.945 1.00 0.00 C ATOM 849 OD1 ASP A 56 6.437 13.144 5.064 1.00 0.00 O ATOM 850 OD2 ASP A 56 5.852 14.570 3.521 1.00 0.00 O ATOM 0 H ASP A 56 4.874 9.941 2.173 1.00 0.00 H new ATOM 0 HA ASP A 56 5.005 11.160 4.806 1.00 0.00 H new ATOM 0 HB2 ASP A 56 6.345 11.759 2.614 1.00 0.00 H new ATOM 0 HB3 ASP A 56 4.908 12.671 2.194 1.00 0.00 H new ATOM 855 N SER A 57 2.509 11.917 2.768 1.00 0.00 N ATOM 856 CA SER A 57 1.251 12.610 2.494 1.00 0.00 C ATOM 857 C SER A 57 1.259 13.034 1.023 1.00 0.00 C ATOM 858 O SER A 57 0.275 12.841 0.300 1.00 0.00 O ATOM 859 CB SER A 57 1.091 13.826 3.428 1.00 0.00 C ATOM 860 OG SER A 57 -0.068 14.586 3.176 1.00 0.00 O ATOM 0 H SER A 57 2.887 11.522 1.907 1.00 0.00 H new ATOM 0 HA SER A 57 0.403 11.951 2.681 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.069 13.479 4.461 1.00 0.00 H new ATOM 0 HB3 SER A 57 1.965 14.469 3.326 1.00 0.00 H new ATOM 0 HG SER A 57 -0.108 15.338 3.803 1.00 0.00 H new ATOM 866 N SER A 58 2.394 13.551 0.556 1.00 0.00 N ATOM 867 CA SER A 58 2.569 14.140 -0.767 1.00 0.00 C ATOM 868 C SER A 58 3.184 13.185 -1.792 1.00 0.00 C ATOM 869 O SER A 58 3.256 13.487 -2.987 1.00 0.00 O ATOM 870 CB SER A 58 3.413 15.398 -0.549 1.00 0.00 C ATOM 871 OG SER A 58 4.688 15.034 -0.046 1.00 0.00 O ATOM 0 H SER A 58 3.249 13.571 1.112 1.00 0.00 H new ATOM 0 HA SER A 58 1.601 14.379 -1.208 1.00 0.00 H new ATOM 0 HB2 SER A 58 3.523 15.942 -1.487 1.00 0.00 H new ATOM 0 HB3 SER A 58 2.912 16.067 0.151 1.00 0.00 H new ATOM 0 HG SER A 58 5.228 15.840 0.091 1.00 0.00 H new ATOM 877 N VAL A 59 3.587 12.002 -1.339 1.00 0.00 N ATOM 878 CA VAL A 59 4.187 10.989 -2.184 1.00 0.00 C ATOM 879 C VAL A 59 3.062 10.273 -2.926 1.00 0.00 C ATOM 880 O VAL A 59 2.153 9.744 -2.279 1.00 0.00 O ATOM 881 CB VAL A 59 5.050 10.039 -1.330 1.00 0.00 C ATOM 882 CG1 VAL A 59 5.527 8.847 -2.157 1.00 0.00 C ATOM 883 CG2 VAL A 59 6.262 10.780 -0.742 1.00 0.00 C ATOM 0 H VAL A 59 3.503 11.722 -0.362 1.00 0.00 H new ATOM 0 HA VAL A 59 4.858 11.427 -2.923 1.00 0.00 H new ATOM 0 HB VAL A 59 4.429 9.674 -0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 59 6.134 8.191 -1.533 1.00 0.00 H new ATOM 0 HG12 VAL A 59 4.665 8.296 -2.532 1.00 0.00 H new ATOM 0 HG13 VAL A 59 6.123 9.202 -2.997 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.856 10.089 -0.143 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.874 11.177 -1.552 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.917 11.601 -0.113 1.00 0.00 H new ATOM 893 N GLY A 60 3.168 10.227 -4.256 1.00 0.00 N ATOM 894 CA GLY A 60 2.453 9.347 -5.177 1.00 0.00 C ATOM 895 C GLY A 60 3.364 8.249 -5.730 1.00 0.00 C ATOM 896 O GLY A 60 2.898 7.344 -6.409 1.00 0.00 O ATOM 0 H GLY A 60 3.804 10.851 -4.752 1.00 0.00 H new ATOM 0 HA2 GLY A 60 1.606 8.893 -4.663 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.048 9.934 -6.001 1.00 0.00 H new ATOM 900 N TYR A 61 4.664 8.267 -5.434 1.00 0.00 N ATOM 901 CA TYR A 61 5.642 7.313 -5.962 1.00 0.00 C ATOM 902 C TYR A 61 6.611 6.866 -4.857 1.00 0.00 C ATOM 903 O TYR A 61 7.396 7.663 -4.331 1.00 0.00 O ATOM 904 CB TYR A 61 6.411 7.904 -7.157 1.00 0.00 C ATOM 905 CG TYR A 61 7.092 6.771 -7.903 1.00 0.00 C ATOM 906 CD1 TYR A 61 8.270 6.189 -7.389 1.00 0.00 C ATOM 907 CD2 TYR A 61 6.452 6.182 -9.012 1.00 0.00 C ATOM 908 CE1 TYR A 61 8.764 4.993 -7.938 1.00 0.00 C ATOM 909 CE2 TYR A 61 6.979 5.022 -9.608 1.00 0.00 C ATOM 910 CZ TYR A 61 8.118 4.399 -9.043 1.00 0.00 C ATOM 911 OH TYR A 61 8.567 3.209 -9.525 1.00 0.00 O ATOM 0 H TYR A 61 5.076 8.959 -4.808 1.00 0.00 H new ATOM 0 HA TYR A 61 5.098 6.438 -6.319 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.729 8.437 -7.819 1.00 0.00 H new ATOM 0 HB3 TYR A 61 7.150 8.627 -6.811 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.793 6.663 -6.572 1.00 0.00 H new ATOM 0 HD2 TYR A 61 5.550 6.625 -9.407 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.641 4.527 -7.513 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.517 4.609 -10.492 1.00 0.00 H new ATOM 0 HH TYR A 61 8.014 2.935 -10.286 1.00 0.00 H new ATOM 921 N TYR A 62 6.561 5.586 -4.491 1.00 0.00 N ATOM 922 CA TYR A 62 7.262 4.980 -3.356 1.00 0.00 C ATOM 923 C TYR A 62 7.792 3.614 -3.810 1.00 0.00 C ATOM 924 O TYR A 62 7.357 3.087 -4.837 1.00 0.00 O ATOM 925 CB TYR A 62 6.287 4.953 -2.176 1.00 0.00 C ATOM 926 CG TYR A 62 6.578 3.999 -1.029 1.00 0.00 C ATOM 927 CD1 TYR A 62 7.802 4.020 -0.332 1.00 0.00 C ATOM 928 CD2 TYR A 62 5.586 3.084 -0.638 1.00 0.00 C ATOM 929 CE1 TYR A 62 8.057 3.071 0.676 1.00 0.00 C ATOM 930 CE2 TYR A 62 5.846 2.123 0.343 1.00 0.00 C ATOM 931 CZ TYR A 62 7.083 2.104 1.000 1.00 0.00 C ATOM 932 OH TYR A 62 7.316 1.105 1.884 1.00 0.00 O ATOM 0 H TYR A 62 6.001 4.906 -5.005 1.00 0.00 H new ATOM 0 HA TYR A 62 8.133 5.540 -3.017 1.00 0.00 H new ATOM 0 HB2 TYR A 62 6.232 5.961 -1.765 1.00 0.00 H new ATOM 0 HB3 TYR A 62 5.298 4.714 -2.566 1.00 0.00 H new ATOM 0 HD1 TYR A 62 8.546 4.765 -0.571 1.00 0.00 H new ATOM 0 HD2 TYR A 62 4.611 3.124 -1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 62 9.000 3.084 1.202 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.091 1.393 0.595 1.00 0.00 H new ATOM 0 HH TYR A 62 8.164 1.270 2.348 1.00 0.00 H new ATOM 942 N THR A 63 8.794 3.068 -3.124 1.00 0.00 N ATOM 943 CA THR A 63 9.428 1.806 -3.494 1.00 0.00 C ATOM 944 C THR A 63 9.866 1.097 -2.215 1.00 0.00 C ATOM 945 O THR A 63 10.168 1.735 -1.205 1.00 0.00 O ATOM 946 CB THR A 63 10.596 2.083 -4.465 1.00 0.00 C ATOM 947 OG1 THR A 63 10.193 2.992 -5.476 1.00 0.00 O ATOM 948 CG2 THR A 63 11.193 0.870 -5.169 1.00 0.00 C ATOM 0 H THR A 63 9.192 3.494 -2.287 1.00 0.00 H new ATOM 0 HA THR A 63 8.736 1.148 -4.019 1.00 0.00 H new ATOM 0 HB THR A 63 11.372 2.483 -3.812 1.00 0.00 H new ATOM 0 HG1 THR A 63 9.271 2.795 -5.745 1.00 0.00 H new ATOM 0 HG21 THR A 63 12.004 1.191 -5.823 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.581 0.173 -4.426 1.00 0.00 H new ATOM 0 HG23 THR A 63 10.422 0.377 -5.762 1.00 0.00 H new ATOM 956 N VAL A 64 9.910 -0.229 -2.245 1.00 0.00 N ATOM 957 CA VAL A 64 10.078 -1.060 -1.069 1.00 0.00 C ATOM 958 C VAL A 64 11.131 -2.116 -1.395 1.00 0.00 C ATOM 959 O VAL A 64 11.202 -2.586 -2.532 1.00 0.00 O ATOM 960 CB VAL A 64 8.730 -1.712 -0.704 1.00 0.00 C ATOM 961 CG1 VAL A 64 8.674 -1.965 0.802 1.00 0.00 C ATOM 962 CG2 VAL A 64 7.470 -0.925 -1.106 1.00 0.00 C ATOM 0 H VAL A 64 9.828 -0.765 -3.109 1.00 0.00 H new ATOM 0 HA VAL A 64 10.405 -0.471 -0.212 1.00 0.00 H new ATOM 0 HB VAL A 64 8.707 -2.632 -1.288 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.720 -2.426 1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 64 9.488 -2.631 1.090 1.00 0.00 H new ATOM 0 HG13 VAL A 64 8.774 -1.019 1.334 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.582 -1.478 -0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 64 7.478 0.049 -0.616 1.00 0.00 H new ATOM 0 HG23 VAL A 64 7.457 -0.787 -2.187 1.00 0.00 H new ATOM 972 N THR A 65 11.932 -2.503 -0.409 1.00 0.00 N ATOM 973 CA THR A 65 12.960 -3.529 -0.519 1.00 0.00 C ATOM 974 C THR A 65 12.668 -4.580 0.574 1.00 0.00 C ATOM 975 O THR A 65 11.671 -4.475 1.302 1.00 0.00 O ATOM 976 CB THR A 65 14.353 -2.871 -0.348 1.00 0.00 C ATOM 977 OG1 THR A 65 14.384 -1.485 -0.658 1.00 0.00 O ATOM 978 CG2 THR A 65 15.448 -3.544 -1.173 1.00 0.00 C ATOM 0 H THR A 65 11.881 -2.095 0.524 1.00 0.00 H new ATOM 0 HA THR A 65 12.956 -4.018 -1.493 1.00 0.00 H new ATOM 0 HB THR A 65 14.549 -3.006 0.716 1.00 0.00 H new ATOM 0 HG1 THR A 65 15.292 -1.140 -0.525 1.00 0.00 H new ATOM 0 HG21 THR A 65 16.396 -3.033 -1.005 1.00 0.00 H new ATOM 0 HG22 THR A 65 15.541 -4.588 -0.872 1.00 0.00 H new ATOM 0 HG23 THR A 65 15.190 -3.493 -2.231 1.00 0.00 H new ATOM 986 N GLY A 66 13.518 -5.597 0.731 1.00 0.00 N ATOM 987 CA GLY A 66 13.331 -6.677 1.695 1.00 0.00 C ATOM 988 C GLY A 66 12.218 -7.652 1.312 1.00 0.00 C ATOM 989 O GLY A 66 11.874 -8.526 2.105 1.00 0.00 O ATOM 0 H GLY A 66 14.371 -5.692 0.180 1.00 0.00 H new ATOM 0 HA2 GLY A 66 14.266 -7.228 1.797 1.00 0.00 H new ATOM 0 HA3 GLY A 66 13.106 -6.247 2.671 1.00 0.00 H new ATOM 993 N LEU A 67 11.655 -7.530 0.108 1.00 0.00 N ATOM 994 CA LEU A 67 10.926 -8.606 -0.531 1.00 0.00 C ATOM 995 C LEU A 67 11.936 -9.721 -0.777 1.00 0.00 C ATOM 996 O LEU A 67 13.095 -9.450 -1.106 1.00 0.00 O ATOM 997 CB LEU A 67 10.330 -8.102 -1.858 1.00 0.00 C ATOM 998 CG LEU A 67 8.826 -7.812 -1.732 1.00 0.00 C ATOM 999 CD1 LEU A 67 8.403 -6.672 -2.649 1.00 0.00 C ATOM 1000 CD2 LEU A 67 8.001 -9.041 -2.094 1.00 0.00 C ATOM 0 H LEU A 67 11.697 -6.675 -0.446 1.00 0.00 H new ATOM 0 HA LEU A 67 10.102 -8.965 0.085 1.00 0.00 H new ATOM 0 HB2 LEU A 67 10.850 -7.196 -2.170 1.00 0.00 H new ATOM 0 HB3 LEU A 67 10.493 -8.847 -2.636 1.00 0.00 H new ATOM 0 HG LEU A 67 8.646 -7.534 -0.693 1.00 0.00 H new ATOM 0 HD11 LEU A 67 7.334 -6.492 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 67 8.953 -5.769 -2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 67 8.619 -6.938 -3.684 1.00 0.00 H new ATOM 0 HD21 LEU A 67 6.940 -8.809 -1.997 1.00 0.00 H new ATOM 0 HD22 LEU A 67 8.216 -9.333 -3.122 1.00 0.00 H new ATOM 0 HD23 LEU A 67 8.256 -9.861 -1.423 1.00 0.00 H new ATOM 1012 N GLU A 68 11.493 -10.965 -0.658 1.00 0.00 N ATOM 1013 CA GLU A 68 12.282 -12.166 -0.824 1.00 0.00 C ATOM 1014 C GLU A 68 11.551 -12.952 -1.914 1.00 0.00 C ATOM 1015 O GLU A 68 10.498 -13.528 -1.625 1.00 0.00 O ATOM 1016 CB GLU A 68 12.426 -12.906 0.518 1.00 0.00 C ATOM 1017 CG GLU A 68 13.720 -13.712 0.707 1.00 0.00 C ATOM 1018 CD GLU A 68 14.985 -12.853 0.778 1.00 0.00 C ATOM 1019 OE1 GLU A 68 15.418 -12.280 -0.244 1.00 0.00 O ATOM 1020 OE2 GLU A 68 15.595 -12.773 1.877 1.00 0.00 O ATOM 0 H GLU A 68 10.520 -11.168 -0.431 1.00 0.00 H new ATOM 0 HA GLU A 68 13.313 -11.984 -1.128 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.356 -12.174 1.323 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.580 -13.584 0.629 1.00 0.00 H new ATOM 0 HG2 GLU A 68 13.640 -14.299 1.622 1.00 0.00 H new ATOM 0 HG3 GLU A 68 13.819 -14.419 -0.117 1.00 0.00 H new ATOM 1027 N PRO A 69 11.998 -12.870 -3.178 1.00 0.00 N ATOM 1028 CA PRO A 69 11.155 -13.190 -4.321 1.00 0.00 C ATOM 1029 C PRO A 69 10.856 -14.683 -4.430 1.00 0.00 C ATOM 1030 O PRO A 69 11.507 -15.524 -3.802 1.00 0.00 O ATOM 1031 CB PRO A 69 11.893 -12.638 -5.549 1.00 0.00 C ATOM 1032 CG PRO A 69 13.351 -12.654 -5.097 1.00 0.00 C ATOM 1033 CD PRO A 69 13.237 -12.262 -3.628 1.00 0.00 C ATOM 0 HA PRO A 69 10.169 -12.735 -4.223 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.735 -13.260 -6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.559 -11.632 -5.804 1.00 0.00 H new ATOM 0 HG2 PRO A 69 13.805 -13.637 -5.222 1.00 0.00 H new ATOM 0 HG3 PRO A 69 13.960 -11.947 -5.661 1.00 0.00 H new ATOM 0 HD2 PRO A 69 14.088 -12.627 -3.054 1.00 0.00 H new ATOM 0 HD3 PRO A 69 13.213 -11.179 -3.508 1.00 0.00 H new ATOM 1041 N GLY A 70 9.873 -15.010 -5.263 1.00 0.00 N ATOM 1042 CA GLY A 70 9.402 -16.359 -5.504 1.00 0.00 C ATOM 1043 C GLY A 70 8.260 -16.775 -4.586 1.00 0.00 C ATOM 1044 O GLY A 70 7.750 -17.888 -4.734 1.00 0.00 O ATOM 0 H GLY A 70 9.367 -14.311 -5.807 1.00 0.00 H new ATOM 0 HA2 GLY A 70 9.074 -16.441 -6.540 1.00 0.00 H new ATOM 0 HA3 GLY A 70 10.232 -17.054 -5.376 1.00 0.00 H new ATOM 1048 N ILE A 71 7.880 -15.935 -3.622 1.00 0.00 N ATOM 1049 CA ILE A 71 6.779 -16.166 -2.696 1.00 0.00 C ATOM 1050 C ILE A 71 5.650 -15.237 -3.145 1.00 0.00 C ATOM 1051 O ILE A 71 5.882 -14.209 -3.777 1.00 0.00 O ATOM 1052 CB ILE A 71 7.256 -15.959 -1.234 1.00 0.00 C ATOM 1053 CG1 ILE A 71 8.090 -17.147 -0.698 1.00 0.00 C ATOM 1054 CG2 ILE A 71 6.107 -15.749 -0.222 1.00 0.00 C ATOM 1055 CD1 ILE A 71 9.400 -17.436 -1.436 1.00 0.00 C ATOM 0 H ILE A 71 8.350 -15.044 -3.462 1.00 0.00 H new ATOM 0 HA ILE A 71 6.409 -17.191 -2.711 1.00 0.00 H new ATOM 0 HB ILE A 71 7.861 -15.055 -1.304 1.00 0.00 H new ATOM 0 HG12 ILE A 71 8.321 -16.959 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 71 7.472 -18.044 -0.732 1.00 0.00 H new ATOM 0 HG21 ILE A 71 6.522 -15.612 0.776 1.00 0.00 H new ATOM 0 HG22 ILE A 71 5.533 -14.865 -0.501 1.00 0.00 H new ATOM 0 HG23 ILE A 71 5.454 -16.622 -0.227 1.00 0.00 H new ATOM 0 HD11 ILE A 71 9.898 -18.288 -0.973 1.00 0.00 H new ATOM 0 HD12 ILE A 71 9.187 -17.664 -2.480 1.00 0.00 H new ATOM 0 HD13 ILE A 71 10.049 -16.562 -1.381 1.00 0.00 H new ATOM 1067 N ASP A 72 4.416 -15.644 -2.861 1.00 0.00 N ATOM 1068 CA ASP A 72 3.203 -14.883 -3.123 1.00 0.00 C ATOM 1069 C ASP A 72 3.115 -13.848 -1.995 1.00 0.00 C ATOM 1070 O ASP A 72 3.011 -14.238 -0.829 1.00 0.00 O ATOM 1071 CB ASP A 72 2.030 -15.887 -3.161 1.00 0.00 C ATOM 1072 CG ASP A 72 0.799 -15.438 -3.945 1.00 0.00 C ATOM 1073 OD1 ASP A 72 0.933 -14.691 -4.940 1.00 0.00 O ATOM 1074 OD2 ASP A 72 -0.309 -15.934 -3.666 1.00 0.00 O ATOM 0 H ASP A 72 4.229 -16.547 -2.426 1.00 0.00 H new ATOM 0 HA ASP A 72 3.185 -14.351 -4.074 1.00 0.00 H new ATOM 0 HB2 ASP A 72 2.390 -16.822 -3.590 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.727 -16.102 -2.136 1.00 0.00 H new ATOM 1079 N TYR A 73 3.284 -12.556 -2.289 1.00 0.00 N ATOM 1080 CA TYR A 73 3.321 -11.467 -1.311 1.00 0.00 C ATOM 1081 C TYR A 73 2.088 -10.581 -1.491 1.00 0.00 C ATOM 1082 O TYR A 73 1.865 -10.011 -2.560 1.00 0.00 O ATOM 1083 CB TYR A 73 4.595 -10.623 -1.470 1.00 0.00 C ATOM 1084 CG TYR A 73 5.768 -10.994 -0.573 1.00 0.00 C ATOM 1085 CD1 TYR A 73 6.553 -12.128 -0.852 1.00 0.00 C ATOM 1086 CD2 TYR A 73 6.163 -10.115 0.456 1.00 0.00 C ATOM 1087 CE1 TYR A 73 7.729 -12.368 -0.116 1.00 0.00 C ATOM 1088 CE2 TYR A 73 7.362 -10.324 1.158 1.00 0.00 C ATOM 1089 CZ TYR A 73 8.146 -11.466 0.884 1.00 0.00 C ATOM 1090 OH TYR A 73 9.318 -11.698 1.541 1.00 0.00 O ATOM 0 H TYR A 73 3.403 -12.229 -3.248 1.00 0.00 H new ATOM 0 HA TYR A 73 3.324 -11.900 -0.311 1.00 0.00 H new ATOM 0 HB2 TYR A 73 4.923 -10.691 -2.507 1.00 0.00 H new ATOM 0 HB3 TYR A 73 4.339 -9.580 -1.284 1.00 0.00 H new ATOM 0 HD1 TYR A 73 6.254 -12.814 -1.630 1.00 0.00 H new ATOM 0 HD2 TYR A 73 5.537 -9.272 0.707 1.00 0.00 H new ATOM 0 HE1 TYR A 73 8.317 -13.251 -0.319 1.00 0.00 H new ATOM 0 HE2 TYR A 73 7.683 -9.613 1.905 1.00 0.00 H new ATOM 0 HH TYR A 73 9.714 -10.844 1.815 1.00 0.00 H new ATOM 1100 N ASP A 74 1.320 -10.399 -0.414 1.00 0.00 N ATOM 1101 CA ASP A 74 0.255 -9.403 -0.383 1.00 0.00 C ATOM 1102 C ASP A 74 0.936 -8.103 -0.007 1.00 0.00 C ATOM 1103 O ASP A 74 1.584 -8.042 1.044 1.00 0.00 O ATOM 1104 CB ASP A 74 -0.791 -9.671 0.722 1.00 0.00 C ATOM 1105 CG ASP A 74 -2.077 -10.395 0.339 1.00 0.00 C ATOM 1106 OD1 ASP A 74 -2.476 -10.382 -0.851 1.00 0.00 O ATOM 1107 OD2 ASP A 74 -2.768 -10.814 1.300 1.00 0.00 O ATOM 0 H ASP A 74 1.419 -10.933 0.450 1.00 0.00 H new ATOM 0 HA ASP A 74 -0.258 -9.405 -1.345 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -0.305 -10.250 1.507 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -1.067 -8.711 1.158 1.00 0.00 H new ATOM 1112 N ILE A 75 0.745 -7.052 -0.801 1.00 0.00 N ATOM 1113 CA ILE A 75 1.258 -5.734 -0.505 1.00 0.00 C ATOM 1114 C ILE A 75 0.030 -4.879 -0.180 1.00 0.00 C ATOM 1115 O ILE A 75 -0.702 -4.421 -1.060 1.00 0.00 O ATOM 1116 CB ILE A 75 2.170 -5.211 -1.638 1.00 0.00 C ATOM 1117 CG1 ILE A 75 3.232 -6.236 -2.127 1.00 0.00 C ATOM 1118 CG2 ILE A 75 2.775 -3.856 -1.206 1.00 0.00 C ATOM 1119 CD1 ILE A 75 2.889 -6.926 -3.451 1.00 0.00 C ATOM 0 H ILE A 75 0.223 -7.101 -1.676 1.00 0.00 H new ATOM 0 HA ILE A 75 1.929 -5.716 0.354 1.00 0.00 H new ATOM 0 HB ILE A 75 1.555 -5.057 -2.525 1.00 0.00 H new ATOM 0 HG12 ILE A 75 4.188 -5.725 -2.236 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.364 -6.998 -1.359 1.00 0.00 H new ATOM 0 HG21 ILE A 75 3.421 -3.477 -1.998 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.973 -3.142 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 75 3.359 -3.992 -0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 75 3.684 -7.623 -3.715 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.950 -7.470 -3.345 1.00 0.00 H new ATOM 0 HD13 ILE A 75 2.788 -6.177 -4.236 1.00 0.00 H new ATOM 1131 N SER A 76 -0.251 -4.750 1.113 1.00 0.00 N ATOM 1132 CA SER A 76 -1.411 -4.057 1.666 1.00 0.00 C ATOM 1133 C SER A 76 -1.088 -2.578 1.769 1.00 0.00 C ATOM 1134 O SER A 76 -0.035 -2.230 2.300 1.00 0.00 O ATOM 1135 CB SER A 76 -1.782 -4.627 3.050 1.00 0.00 C ATOM 1136 OG SER A 76 -1.307 -5.948 3.281 1.00 0.00 O ATOM 0 H SER A 76 0.350 -5.143 1.837 1.00 0.00 H new ATOM 0 HA SER A 76 -2.269 -4.203 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 76 -1.382 -3.969 3.821 1.00 0.00 H new ATOM 0 HB3 SER A 76 -2.867 -4.619 3.155 1.00 0.00 H new ATOM 0 HG SER A 76 -0.346 -5.922 3.471 1.00 0.00 H new ATOM 1142 N VAL A 77 -1.971 -1.689 1.330 1.00 0.00 N ATOM 1143 CA VAL A 77 -1.756 -0.260 1.311 1.00 0.00 C ATOM 1144 C VAL A 77 -3.094 0.383 1.685 1.00 0.00 C ATOM 1145 O VAL A 77 -4.139 0.042 1.116 1.00 0.00 O ATOM 1146 CB VAL A 77 -1.287 0.201 -0.083 1.00 0.00 C ATOM 1147 CG1 VAL A 77 -0.873 1.681 -0.018 1.00 0.00 C ATOM 1148 CG2 VAL A 77 -0.193 -0.696 -0.701 1.00 0.00 C ATOM 0 H VAL A 77 -2.885 -1.959 0.967 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.976 0.033 2.014 1.00 0.00 H new ATOM 0 HB VAL A 77 -2.130 0.098 -0.767 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -0.541 2.009 -1.003 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -1.725 2.284 0.297 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.060 1.800 0.698 1.00 0.00 H new ATOM 0 HG21 VAL A 77 0.085 -0.308 -1.681 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.682 -0.702 -0.051 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.573 -1.712 -0.808 1.00 0.00 H new ATOM 1158 N ILE A 78 -3.081 1.313 2.637 1.00 0.00 N ATOM 1159 CA ILE A 78 -4.275 1.998 3.120 1.00 0.00 C ATOM 1160 C ILE A 78 -3.920 3.481 3.203 1.00 0.00 C ATOM 1161 O ILE A 78 -2.766 3.826 3.460 1.00 0.00 O ATOM 1162 CB ILE A 78 -4.754 1.411 4.475 1.00 0.00 C ATOM 1163 CG1 ILE A 78 -4.711 -0.136 4.482 1.00 0.00 C ATOM 1164 CG2 ILE A 78 -6.186 1.894 4.772 1.00 0.00 C ATOM 1165 CD1 ILE A 78 -5.203 -0.780 5.775 1.00 0.00 C ATOM 0 H ILE A 78 -2.225 1.616 3.102 1.00 0.00 H new ATOM 0 HA ILE A 78 -5.118 1.858 2.443 1.00 0.00 H new ATOM 0 HB ILE A 78 -4.073 1.764 5.250 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -5.315 -0.507 3.654 1.00 0.00 H new ATOM 0 HG13 ILE A 78 -3.686 -0.459 4.298 1.00 0.00 H new ATOM 0 HG21 ILE A 78 -6.519 1.480 5.724 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -6.199 2.983 4.825 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -6.854 1.561 3.978 1.00 0.00 H new ATOM 0 HD11 ILE A 78 -5.137 -1.865 5.689 1.00 0.00 H new ATOM 0 HD12 ILE A 78 -4.585 -0.444 6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 78 -6.239 -0.492 5.953 1.00 0.00 H new ATOM 1177 N THR A 79 -4.898 4.353 2.970 1.00 0.00 N ATOM 1178 CA THR A 79 -4.767 5.790 3.167 1.00 0.00 C ATOM 1179 C THR A 79 -5.278 6.137 4.561 1.00 0.00 C ATOM 1180 O THR A 79 -6.304 5.600 4.986 1.00 0.00 O ATOM 1181 CB THR A 79 -5.607 6.529 2.123 1.00 0.00 C ATOM 1182 OG1 THR A 79 -5.349 6.055 0.810 1.00 0.00 O ATOM 1183 CG2 THR A 79 -5.347 8.039 2.197 1.00 0.00 C ATOM 0 H THR A 79 -5.819 4.073 2.633 1.00 0.00 H new ATOM 0 HA THR A 79 -3.723 6.086 3.063 1.00 0.00 H new ATOM 0 HB THR A 79 -6.655 6.334 2.349 1.00 0.00 H new ATOM 0 HG1 THR A 79 -4.641 6.595 0.400 1.00 0.00 H new ATOM 0 HG21 THR A 79 -5.952 8.550 1.448 1.00 0.00 H new ATOM 0 HG22 THR A 79 -5.612 8.406 3.189 1.00 0.00 H new ATOM 0 HG23 THR A 79 -4.292 8.236 2.007 1.00 0.00 H new ATOM 1191 N LEU A 80 -4.561 7.014 5.262 1.00 0.00 N ATOM 1192 CA LEU A 80 -4.825 7.401 6.635 1.00 0.00 C ATOM 1193 C LEU A 80 -5.328 8.832 6.618 1.00 0.00 C ATOM 1194 O LEU A 80 -4.680 9.690 6.015 1.00 0.00 O ATOM 1195 CB LEU A 80 -3.526 7.332 7.446 1.00 0.00 C ATOM 1196 CG LEU A 80 -2.802 5.978 7.603 1.00 0.00 C ATOM 1197 CD1 LEU A 80 -2.834 5.547 9.073 1.00 0.00 C ATOM 1198 CD2 LEU A 80 -3.250 4.802 6.737 1.00 0.00 C ATOM 0 H LEU A 80 -3.749 7.490 4.868 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.560 6.735 7.087 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.821 8.030 6.994 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.745 7.704 8.447 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.802 6.200 7.232 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -2.323 4.591 9.183 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -2.333 6.299 9.683 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.869 5.445 9.400 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -2.642 3.927 6.969 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.298 4.580 6.939 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -3.130 5.059 5.684 1.00 0.00 H new ATOM 1210 N ILE A 81 -6.460 9.114 7.254 1.00 0.00 N ATOM 1211 CA ILE A 81 -7.026 10.455 7.355 1.00 0.00 C ATOM 1212 C ILE A 81 -7.458 10.695 8.806 1.00 0.00 C ATOM 1213 O ILE A 81 -7.343 9.791 9.636 1.00 0.00 O ATOM 1214 CB ILE A 81 -8.146 10.677 6.297 1.00 0.00 C ATOM 1215 CG1 ILE A 81 -9.528 10.103 6.681 1.00 0.00 C ATOM 1216 CG2 ILE A 81 -7.746 10.119 4.910 1.00 0.00 C ATOM 1217 CD1 ILE A 81 -10.679 10.747 5.895 1.00 0.00 C ATOM 0 H ILE A 81 -7.021 8.403 7.723 1.00 0.00 H new ATOM 0 HA ILE A 81 -6.278 11.211 7.114 1.00 0.00 H new ATOM 0 HB ILE A 81 -8.249 11.761 6.257 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -9.531 9.027 6.505 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.695 10.252 7.748 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -8.555 10.294 4.200 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -6.843 10.621 4.562 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -7.558 9.048 4.989 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -11.625 10.304 6.207 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -10.698 11.819 6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -10.532 10.575 4.829 1.00 0.00 H new ATOM 1229 N ASN A 82 -7.953 11.904 9.102 1.00 0.00 N ATOM 1230 CA ASN A 82 -8.616 12.228 10.374 1.00 0.00 C ATOM 1231 C ASN A 82 -9.471 11.063 10.865 1.00 0.00 C ATOM 1232 O ASN A 82 -10.515 10.768 10.277 1.00 0.00 O ATOM 1233 CB ASN A 82 -9.462 13.508 10.263 1.00 0.00 C ATOM 1234 CG ASN A 82 -10.434 13.722 11.422 1.00 0.00 C ATOM 1235 OD1 ASN A 82 -10.167 14.535 12.306 1.00 0.00 O ATOM 1236 ND2 ASN A 82 -11.560 13.031 11.443 1.00 0.00 N ATOM 0 H ASN A 82 -7.904 12.694 8.459 1.00 0.00 H new ATOM 0 HA ASN A 82 -7.830 12.409 11.107 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -8.794 14.367 10.201 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -10.027 13.476 9.331 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -12.228 13.167 12.202 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -11.762 12.362 10.700 1.00 0.00 H new ATOM 1243 N GLY A 83 -9.018 10.441 11.951 1.00 0.00 N ATOM 1244 CA GLY A 83 -9.714 9.425 12.716 1.00 0.00 C ATOM 1245 C GLY A 83 -10.248 8.259 11.890 1.00 0.00 C ATOM 1246 O GLY A 83 -11.211 7.636 12.336 1.00 0.00 O ATOM 0 H GLY A 83 -8.098 10.650 12.339 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -9.037 9.034 13.476 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.547 9.892 13.241 1.00 0.00 H new ATOM 1250 N GLY A 84 -9.713 7.998 10.697 1.00 0.00 N ATOM 1251 CA GLY A 84 -10.404 7.189 9.715 1.00 0.00 C ATOM 1252 C GLY A 84 -9.459 6.752 8.607 1.00 0.00 C ATOM 1253 O GLY A 84 -8.446 7.398 8.341 1.00 0.00 O ATOM 0 H GLY A 84 -8.801 8.340 10.395 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -10.834 6.312 10.199 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -11.232 7.756 9.289 1.00 0.00 H new ATOM 1257 N GLU A 85 -9.802 5.668 7.917 1.00 0.00 N ATOM 1258 CA GLU A 85 -9.028 5.129 6.809 1.00 0.00 C ATOM 1259 C GLU A 85 -9.957 4.769 5.653 1.00 0.00 C ATOM 1260 O GLU A 85 -11.158 4.564 5.844 1.00 0.00 O ATOM 1261 CB GLU A 85 -8.231 3.889 7.263 1.00 0.00 C ATOM 1262 CG GLU A 85 -6.970 4.229 8.074 1.00 0.00 C ATOM 1263 CD GLU A 85 -7.115 3.989 9.573 1.00 0.00 C ATOM 1264 OE1 GLU A 85 -7.832 4.765 10.245 1.00 0.00 O ATOM 1265 OE2 GLU A 85 -6.508 3.016 10.082 1.00 0.00 O ATOM 0 H GLU A 85 -10.645 5.130 8.119 1.00 0.00 H new ATOM 0 HA GLU A 85 -8.321 5.887 6.471 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -8.879 3.252 7.865 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -7.943 3.311 6.385 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -6.138 3.633 7.700 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -6.714 5.275 7.907 1.00 0.00 H new ATOM 1272 N SER A 86 -9.387 4.635 4.455 1.00 0.00 N ATOM 1273 CA SER A 86 -10.135 4.260 3.263 1.00 0.00 C ATOM 1274 C SER A 86 -10.284 2.739 3.164 1.00 0.00 C ATOM 1275 O SER A 86 -9.948 1.986 4.085 1.00 0.00 O ATOM 1276 CB SER A 86 -9.453 4.823 2.025 1.00 0.00 C ATOM 1277 OG SER A 86 -8.974 6.136 2.212 1.00 0.00 O ATOM 0 H SER A 86 -8.392 4.784 4.288 1.00 0.00 H new ATOM 0 HA SER A 86 -11.137 4.684 3.332 1.00 0.00 H new ATOM 0 HB2 SER A 86 -8.622 4.175 1.747 1.00 0.00 H new ATOM 0 HB3 SER A 86 -10.157 4.813 1.193 1.00 0.00 H new ATOM 0 HG SER A 86 -9.174 6.673 1.417 1.00 0.00 H new ATOM 1283 N ALA A 87 -10.817 2.272 2.038 1.00 0.00 N ATOM 1284 CA ALA A 87 -10.806 0.861 1.697 1.00 0.00 C ATOM 1285 C ALA A 87 -9.344 0.396 1.542 1.00 0.00 C ATOM 1286 O ALA A 87 -8.560 1.104 0.899 1.00 0.00 O ATOM 1287 CB ALA A 87 -11.590 0.654 0.402 1.00 0.00 C ATOM 0 H ALA A 87 -11.267 2.864 1.340 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.277 0.271 2.483 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.586 -0.404 0.139 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.618 0.990 0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.126 1.229 -0.400 1.00 0.00 H new ATOM 1293 N PRO A 88 -8.957 -0.768 2.091 1.00 0.00 N ATOM 1294 CA PRO A 88 -7.623 -1.312 1.897 1.00 0.00 C ATOM 1295 C PRO A 88 -7.503 -1.821 0.460 1.00 0.00 C ATOM 1296 O PRO A 88 -8.358 -2.584 0.005 1.00 0.00 O ATOM 1297 CB PRO A 88 -7.492 -2.437 2.929 1.00 0.00 C ATOM 1298 CG PRO A 88 -8.929 -2.920 3.119 1.00 0.00 C ATOM 1299 CD PRO A 88 -9.762 -1.655 2.921 1.00 0.00 C ATOM 0 HA PRO A 88 -6.827 -0.580 2.037 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -6.844 -3.237 2.570 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -7.064 -2.076 3.864 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -9.192 -3.691 2.395 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -9.080 -3.349 4.110 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -10.712 -1.885 2.438 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -9.996 -1.188 3.878 1.00 0.00 H new ATOM 1307 N THR A 89 -6.446 -1.443 -0.257 1.00 0.00 N ATOM 1308 CA THR A 89 -6.093 -2.116 -1.500 1.00 0.00 C ATOM 1309 C THR A 89 -4.904 -3.009 -1.169 1.00 0.00 C ATOM 1310 O THR A 89 -3.804 -2.513 -0.911 1.00 0.00 O ATOM 1311 CB THR A 89 -5.827 -1.121 -2.635 1.00 0.00 C ATOM 1312 OG1 THR A 89 -6.981 -0.343 -2.809 1.00 0.00 O ATOM 1313 CG2 THR A 89 -5.569 -1.810 -3.979 1.00 0.00 C ATOM 0 H THR A 89 -5.823 -0.678 0.002 1.00 0.00 H new ATOM 0 HA THR A 89 -6.915 -2.722 -1.881 1.00 0.00 H new ATOM 0 HB THR A 89 -4.946 -0.542 -2.358 1.00 0.00 H new ATOM 0 HG1 THR A 89 -6.834 0.303 -3.531 1.00 0.00 H new ATOM 0 HG21 THR A 89 -5.387 -1.056 -4.745 1.00 0.00 H new ATOM 0 HG22 THR A 89 -4.697 -2.459 -3.894 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.439 -2.406 -4.255 1.00 0.00 H new ATOM 1321 N THR A 90 -5.144 -4.317 -1.132 1.00 0.00 N ATOM 1322 CA THR A 90 -4.121 -5.315 -0.894 1.00 0.00 C ATOM 1323 C THR A 90 -3.959 -6.085 -2.193 1.00 0.00 C ATOM 1324 O THR A 90 -4.607 -7.109 -2.414 1.00 0.00 O ATOM 1325 CB THR A 90 -4.501 -6.168 0.321 1.00 0.00 C ATOM 1326 OG1 THR A 90 -4.718 -5.325 1.440 1.00 0.00 O ATOM 1327 CG2 THR A 90 -3.387 -7.159 0.645 1.00 0.00 C ATOM 0 H THR A 90 -6.074 -4.714 -1.270 1.00 0.00 H new ATOM 0 HA THR A 90 -3.153 -4.887 -0.635 1.00 0.00 H new ATOM 0 HB THR A 90 -5.411 -6.722 0.091 1.00 0.00 H new ATOM 0 HG1 THR A 90 -4.963 -5.869 2.217 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.672 -7.757 1.510 1.00 0.00 H new ATOM 0 HG22 THR A 90 -3.222 -7.814 -0.211 1.00 0.00 H new ATOM 0 HG23 THR A 90 -2.469 -6.615 0.867 1.00 0.00 H new ATOM 1335 N LEU A 91 -3.137 -5.537 -3.086 1.00 0.00 N ATOM 1336 CA LEU A 91 -2.804 -6.204 -4.332 1.00 0.00 C ATOM 1337 C LEU A 91 -1.771 -7.285 -4.004 1.00 0.00 C ATOM 1338 O LEU A 91 -1.022 -7.141 -3.036 1.00 0.00 O ATOM 1339 CB LEU A 91 -2.278 -5.181 -5.352 1.00 0.00 C ATOM 1340 CG LEU A 91 -3.295 -4.700 -6.401 1.00 0.00 C ATOM 1341 CD1 LEU A 91 -2.627 -3.607 -7.248 1.00 0.00 C ATOM 1342 CD2 LEU A 91 -3.760 -5.832 -7.328 1.00 0.00 C ATOM 0 H LEU A 91 -2.690 -4.628 -2.964 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.679 -6.669 -4.786 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.906 -4.312 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.427 -5.620 -5.873 1.00 0.00 H new ATOM 0 HG LEU A 91 -4.174 -4.325 -5.876 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.330 -3.249 -8.000 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -2.331 -2.778 -6.605 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -1.745 -4.017 -7.741 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -4.477 -5.440 -8.050 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -2.901 -6.245 -7.857 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.233 -6.616 -6.736 1.00 0.00 H new ATOM 1354 N THR A 92 -1.721 -8.346 -4.807 1.00 0.00 N ATOM 1355 CA THR A 92 -0.849 -9.499 -4.595 1.00 0.00 C ATOM 1356 C THR A 92 -0.130 -9.772 -5.925 1.00 0.00 C ATOM 1357 O THR A 92 -0.754 -9.647 -6.994 1.00 0.00 O ATOM 1358 CB THR A 92 -1.733 -10.662 -4.068 1.00 0.00 C ATOM 1359 OG1 THR A 92 -1.196 -11.324 -2.945 1.00 0.00 O ATOM 1360 CG2 THR A 92 -2.100 -11.732 -5.095 1.00 0.00 C ATOM 0 H THR A 92 -2.300 -8.430 -5.643 1.00 0.00 H new ATOM 0 HA THR A 92 -0.071 -9.346 -3.847 1.00 0.00 H new ATOM 0 HB THR A 92 -2.640 -10.124 -3.793 1.00 0.00 H new ATOM 0 HG1 THR A 92 -1.664 -11.028 -2.136 1.00 0.00 H new ATOM 0 HG21 THR A 92 -2.718 -12.495 -4.621 1.00 0.00 H new ATOM 0 HG22 THR A 92 -2.654 -11.275 -5.915 1.00 0.00 H new ATOM 0 HG23 THR A 92 -1.191 -12.191 -5.483 1.00 0.00 H new ATOM 1368 N GLN A 93 1.160 -10.112 -5.893 1.00 0.00 N ATOM 1369 CA GLN A 93 1.841 -10.837 -6.967 1.00 0.00 C ATOM 1370 C GLN A 93 2.935 -11.724 -6.377 1.00 0.00 C ATOM 1371 O GLN A 93 3.780 -11.254 -5.617 1.00 0.00 O ATOM 1372 CB GLN A 93 2.457 -9.912 -8.046 1.00 0.00 C ATOM 1373 CG GLN A 93 1.548 -9.499 -9.220 1.00 0.00 C ATOM 1374 CD GLN A 93 0.948 -10.693 -9.962 1.00 0.00 C ATOM 1375 OE1 GLN A 93 1.446 -11.138 -10.989 1.00 0.00 O ATOM 1376 NE2 GLN A 93 -0.145 -11.245 -9.459 1.00 0.00 N ATOM 0 H GLN A 93 1.771 -9.888 -5.107 1.00 0.00 H new ATOM 0 HA GLN A 93 1.079 -11.438 -7.464 1.00 0.00 H new ATOM 0 HB2 GLN A 93 2.807 -9.005 -7.554 1.00 0.00 H new ATOM 0 HB3 GLN A 93 3.335 -10.410 -8.457 1.00 0.00 H new ATOM 0 HG2 GLN A 93 0.741 -8.870 -8.843 1.00 0.00 H new ATOM 0 HG3 GLN A 93 2.123 -8.894 -9.921 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -0.557 -10.872 -8.604 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -0.575 -12.043 -9.927 1.00 0.00 H new ATOM 1385 N GLN A 94 2.943 -12.998 -6.781 1.00 0.00 N ATOM 1386 CA GLN A 94 4.153 -13.801 -6.777 1.00 0.00 C ATOM 1387 C GLN A 94 5.024 -13.284 -7.922 1.00 0.00 C ATOM 1388 O GLN A 94 4.596 -13.308 -9.083 1.00 0.00 O ATOM 1389 CB GLN A 94 3.832 -15.287 -6.976 1.00 0.00 C ATOM 1390 CG GLN A 94 5.056 -16.190 -6.711 1.00 0.00 C ATOM 1391 CD GLN A 94 4.960 -17.596 -7.314 1.00 0.00 C ATOM 1392 OE1 GLN A 94 5.972 -18.261 -7.533 1.00 0.00 O ATOM 1393 NE2 GLN A 94 3.777 -18.118 -7.588 1.00 0.00 N ATOM 0 H GLN A 94 2.115 -13.491 -7.116 1.00 0.00 H new ATOM 0 HA GLN A 94 4.667 -13.716 -5.819 1.00 0.00 H new ATOM 0 HB2 GLN A 94 3.020 -15.574 -6.308 1.00 0.00 H new ATOM 0 HB3 GLN A 94 3.479 -15.447 -7.995 1.00 0.00 H new ATOM 0 HG2 GLN A 94 5.945 -15.699 -7.108 1.00 0.00 H new ATOM 0 HG3 GLN A 94 5.197 -16.281 -5.634 1.00 0.00 H new ATOM 0 HE21 GLN A 94 2.929 -17.579 -7.412 1.00 0.00 H new ATOM 0 HE22 GLN A 94 3.712 -19.059 -7.975 1.00 0.00 H new ATOM 1402 N THR A 95 6.236 -12.863 -7.598 1.00 0.00 N ATOM 1403 CA THR A 95 7.324 -12.658 -8.532 1.00 0.00 C ATOM 1404 C THR A 95 8.537 -13.264 -7.853 1.00 0.00 C ATOM 1405 O THR A 95 8.784 -12.896 -6.686 1.00 0.00 O ATOM 1406 CB THR A 95 7.464 -11.169 -8.924 1.00 0.00 C ATOM 1407 OG1 THR A 95 6.983 -10.251 -7.953 1.00 0.00 O ATOM 1408 CG2 THR A 95 6.651 -10.896 -10.192 1.00 0.00 C ATOM 1409 OXT THR A 95 9.127 -14.215 -8.410 1.00 0.00 O ATOM 0 H THR A 95 6.496 -12.647 -6.636 1.00 0.00 H new ATOM 0 HA THR A 95 7.164 -13.142 -9.495 1.00 0.00 H new ATOM 0 HB THR A 95 8.536 -11.015 -9.046 1.00 0.00 H new ATOM 0 HG1 THR A 95 7.666 -9.569 -7.781 1.00 0.00 H new ATOM 0 HG21 THR A 95 6.750 -9.846 -10.468 1.00 0.00 H new ATOM 0 HG22 THR A 95 7.022 -11.521 -11.004 1.00 0.00 H new ATOM 0 HG23 THR A 95 5.602 -11.126 -10.008 1.00 0.00 H new TER 1417 THR A 95