USER MOD reduce.3.24.130724 H: found=0, std=0, add=820, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 818 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 72 LYS NZ :NH3+ -148:sc= 0 (180deg=0) USER MOD Set 1.2: A 76 ASN : amide:sc= -2.01! K(o=-2!,f=-1) USER MOD Set 2.1: A 29 SER OG : rot 81:sc= 0.148 USER MOD Set 2.2: A 34 SER OG : rot 80:sc= -0.437 USER MOD Set 3.1: A 8 THR OG1 : rot 180:sc= 0.0257 USER MOD Set 3.2: A 9 GLN : amide:sc= -1.15 K(o=-1.1,f=-1.8) USER MOD Single : A 1 GLY N :NH3+ -131:sc= 0.00798 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= -0.0521 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 16 CYS SG : rot -16:sc= 0.174 USER MOD Single : A 17 GLN : amide:sc= 1.21 K(o=1.2,f=-1.2) USER MOD Single : A 19 GLN : amide:sc= -0.405 K(o=-0.4,f=-1.4) USER MOD Single : A 20 THR OG1 : rot -81:sc= 1.22 USER MOD Single : A 23 TYR OH : rot 30:sc= -1.3 USER MOD Single : A 27 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.0055) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 42 CYS SG : rot 60:sc= -5.28! USER MOD Single : A 46 TYR OH : rot 62:sc= 1.37 USER MOD Single : A 49 GLN : amide:sc= -4.46! C(o=-4.5!,f=-6.8!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.105 X(o=-0.1,f=0) USER MOD Single : A 67 THR OG1 : rot 180:sc= -1.15 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 87 GLN : amide:sc= 0 X(o=0,f=-0.00093) USER MOD Single : A 93 SER OG : rot 180:sc= -0.0323 USER MOD Single : A 101 TYR OH : rot 30:sc= -2.07! USER MOD Single : A 103 SER OG : rot 78:sc= 0.202 USER MOD Single : A 104 HIS : no HD1:sc= -1.6 K(o=-1.6,f=-0.39) USER MOD Single : A 106 HIS : no HD1:sc= -1.85 K(o=-1.8,f=-1) USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.427 -20.700 3.037 1.00 0.00 N ATOM 2 CA GLY A 1 3.870 -20.776 2.900 1.00 0.00 C ATOM 3 C GLY A 1 4.446 -19.587 2.159 1.00 0.00 C ATOM 4 O GLY A 1 3.979 -18.460 2.321 1.00 0.00 O ATOM 0 H1 GLY A 1 2.162 -20.881 4.026 1.00 0.00 H new ATOM 0 H2 GLY A 1 2.101 -19.752 2.760 1.00 0.00 H new ATOM 0 H3 GLY A 1 1.982 -21.412 2.423 1.00 0.00 H new ATOM 0 HA2 GLY A 1 4.323 -20.837 3.890 1.00 0.00 H new ATOM 0 HA3 GLY A 1 4.134 -21.692 2.371 1.00 0.00 H new ATOM 8 N SER A 2 5.466 -19.837 1.343 1.00 0.00 N ATOM 9 CA SER A 2 6.110 -18.775 0.578 1.00 0.00 C ATOM 10 C SER A 2 5.733 -18.865 -0.898 1.00 0.00 C ATOM 11 O SER A 2 5.371 -17.865 -1.519 1.00 0.00 O ATOM 12 CB SER A 2 7.630 -18.857 0.734 1.00 0.00 C ATOM 13 OG SER A 2 8.051 -18.259 1.947 1.00 0.00 O ATOM 0 H SER A 2 5.864 -20.765 1.195 1.00 0.00 H new ATOM 0 HA SER A 2 5.763 -17.817 0.966 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.945 -19.900 0.711 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.112 -18.359 -0.107 1.00 0.00 H new ATOM 0 HG SER A 2 9.026 -18.326 2.024 1.00 0.00 H new ATOM 19 N SER A 3 5.821 -20.069 -1.453 1.00 0.00 N ATOM 20 CA SER A 3 5.492 -20.289 -2.857 1.00 0.00 C ATOM 21 C SER A 3 4.020 -20.652 -3.021 1.00 0.00 C ATOM 22 O SER A 3 3.517 -21.564 -2.366 1.00 0.00 O ATOM 23 CB SER A 3 6.370 -21.399 -3.439 1.00 0.00 C ATOM 24 OG SER A 3 7.598 -20.880 -3.920 1.00 0.00 O ATOM 0 H SER A 3 6.117 -20.907 -0.953 1.00 0.00 H new ATOM 0 HA SER A 3 5.681 -19.362 -3.398 1.00 0.00 H new ATOM 0 HB2 SER A 3 6.564 -22.151 -2.675 1.00 0.00 H new ATOM 0 HB3 SER A 3 5.840 -21.898 -4.250 1.00 0.00 H new ATOM 0 HG SER A 3 8.141 -21.610 -4.285 1.00 0.00 H new ATOM 30 N GLY A 4 3.333 -19.929 -3.900 1.00 0.00 N ATOM 31 CA GLY A 4 1.925 -20.187 -4.134 1.00 0.00 C ATOM 32 C GLY A 4 1.698 -21.227 -5.213 1.00 0.00 C ATOM 33 O GLY A 4 2.632 -21.912 -5.630 1.00 0.00 O ATOM 0 H GLY A 4 3.727 -19.169 -4.454 1.00 0.00 H new ATOM 0 HA2 GLY A 4 1.461 -20.523 -3.207 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.431 -19.258 -4.419 1.00 0.00 H new ATOM 37 N SER A 5 0.454 -21.349 -5.665 1.00 0.00 N ATOM 38 CA SER A 5 0.107 -22.317 -6.698 1.00 0.00 C ATOM 39 C SER A 5 -0.535 -21.626 -7.897 1.00 0.00 C ATOM 40 O SER A 5 -0.172 -21.884 -9.044 1.00 0.00 O ATOM 41 CB SER A 5 -0.845 -23.375 -6.135 1.00 0.00 C ATOM 42 OG SER A 5 -2.054 -22.787 -5.687 1.00 0.00 O ATOM 0 H SER A 5 -0.331 -20.789 -5.332 1.00 0.00 H new ATOM 0 HA SER A 5 1.025 -22.803 -7.029 1.00 0.00 H new ATOM 0 HB2 SER A 5 -1.061 -24.119 -6.902 1.00 0.00 H new ATOM 0 HB3 SER A 5 -0.364 -23.899 -5.309 1.00 0.00 H new ATOM 0 HG SER A 5 -2.645 -23.484 -5.334 1.00 0.00 H new ATOM 48 N SER A 6 -1.492 -20.745 -7.623 1.00 0.00 N ATOM 49 CA SER A 6 -2.187 -20.019 -8.678 1.00 0.00 C ATOM 50 C SER A 6 -2.106 -18.513 -8.446 1.00 0.00 C ATOM 51 O SER A 6 -2.265 -18.037 -7.323 1.00 0.00 O ATOM 52 CB SER A 6 -3.652 -20.457 -8.748 1.00 0.00 C ATOM 53 OG SER A 6 -3.796 -21.632 -9.527 1.00 0.00 O ATOM 0 H SER A 6 -1.803 -20.517 -6.679 1.00 0.00 H new ATOM 0 HA SER A 6 -1.700 -20.250 -9.625 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.030 -20.636 -7.741 1.00 0.00 H new ATOM 0 HB3 SER A 6 -4.254 -19.656 -9.177 1.00 0.00 H new ATOM 0 HG SER A 6 -4.740 -21.892 -9.555 1.00 0.00 H new ATOM 59 N GLY A 7 -1.857 -17.768 -9.518 1.00 0.00 N ATOM 60 CA GLY A 7 -1.758 -16.324 -9.412 1.00 0.00 C ATOM 61 C GLY A 7 -3.038 -15.691 -8.903 1.00 0.00 C ATOM 62 O GLY A 7 -4.041 -15.641 -9.616 1.00 0.00 O ATOM 0 H GLY A 7 -1.722 -18.139 -10.459 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -0.938 -16.067 -8.742 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -1.514 -15.907 -10.389 1.00 0.00 H new ATOM 66 N THR A 8 -3.006 -15.207 -7.666 1.00 0.00 N ATOM 67 CA THR A 8 -4.172 -14.576 -7.062 1.00 0.00 C ATOM 68 C THR A 8 -3.761 -13.494 -6.069 1.00 0.00 C ATOM 69 O THR A 8 -2.574 -13.278 -5.832 1.00 0.00 O ATOM 70 CB THR A 8 -5.058 -15.609 -6.340 1.00 0.00 C ATOM 71 OG1 THR A 8 -6.332 -15.031 -6.030 1.00 0.00 O ATOM 72 CG2 THR A 8 -4.391 -16.095 -5.062 1.00 0.00 C ATOM 0 H THR A 8 -2.184 -15.240 -7.062 1.00 0.00 H new ATOM 0 HA THR A 8 -4.741 -14.122 -7.873 1.00 0.00 H new ATOM 0 HB THR A 8 -5.199 -16.462 -7.004 1.00 0.00 H new ATOM 0 HG1 THR A 8 -6.890 -15.695 -5.573 1.00 0.00 H new ATOM 0 HG21 THR A 8 -5.035 -16.823 -4.570 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.436 -16.561 -5.305 1.00 0.00 H new ATOM 0 HG23 THR A 8 -4.223 -15.249 -4.395 1.00 0.00 H new ATOM 80 N GLN A 9 -4.751 -12.821 -5.491 1.00 0.00 N ATOM 81 CA GLN A 9 -4.490 -11.762 -4.524 1.00 0.00 C ATOM 82 C GLN A 9 -3.614 -12.271 -3.383 1.00 0.00 C ATOM 83 O GLN A 9 -2.964 -11.487 -2.692 1.00 0.00 O ATOM 84 CB GLN A 9 -5.806 -11.215 -3.967 1.00 0.00 C ATOM 85 CG GLN A 9 -6.733 -10.658 -5.035 1.00 0.00 C ATOM 86 CD GLN A 9 -7.642 -11.715 -5.630 1.00 0.00 C ATOM 87 OE1 GLN A 9 -7.427 -12.176 -6.751 1.00 0.00 O ATOM 88 NE2 GLN A 9 -8.665 -12.106 -4.879 1.00 0.00 N ATOM 0 H GLN A 9 -5.740 -12.990 -5.675 1.00 0.00 H new ATOM 0 HA GLN A 9 -3.959 -10.960 -5.036 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -6.322 -12.010 -3.429 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -5.586 -10.430 -3.243 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -7.341 -9.863 -4.604 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -6.137 -10.208 -5.829 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -8.805 -11.697 -3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -9.310 -12.816 -5.226 1.00 0.00 H new ATOM 97 N GLU A 10 -3.604 -13.586 -3.192 1.00 0.00 N ATOM 98 CA GLU A 10 -2.809 -14.198 -2.134 1.00 0.00 C ATOM 99 C GLU A 10 -1.376 -13.673 -2.157 1.00 0.00 C ATOM 100 O GLU A 10 -0.860 -13.203 -1.144 1.00 0.00 O ATOM 101 CB GLU A 10 -2.808 -15.720 -2.281 1.00 0.00 C ATOM 102 CG GLU A 10 -2.083 -16.441 -1.157 1.00 0.00 C ATOM 103 CD GLU A 10 -2.999 -16.792 -0.001 1.00 0.00 C ATOM 104 OE1 GLU A 10 -4.025 -17.464 -0.240 1.00 0.00 O ATOM 105 OE2 GLU A 10 -2.692 -16.395 1.141 1.00 0.00 O ATOM 0 H GLU A 10 -4.137 -14.248 -3.756 1.00 0.00 H new ATOM 0 HA GLU A 10 -3.260 -13.933 -1.177 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -3.838 -16.073 -2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -2.342 -15.984 -3.230 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.632 -17.353 -1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -1.270 -15.813 -0.793 1.00 0.00 H new ATOM 112 N GLU A 11 -0.740 -13.758 -3.322 1.00 0.00 N ATOM 113 CA GLU A 11 0.633 -13.293 -3.477 1.00 0.00 C ATOM 114 C GLU A 11 0.752 -11.815 -3.112 1.00 0.00 C ATOM 115 O GLU A 11 1.761 -11.381 -2.556 1.00 0.00 O ATOM 116 CB GLU A 11 1.111 -13.515 -4.914 1.00 0.00 C ATOM 117 CG GLU A 11 2.623 -13.519 -5.058 1.00 0.00 C ATOM 118 CD GLU A 11 3.073 -13.837 -6.471 1.00 0.00 C ATOM 119 OE1 GLU A 11 2.609 -13.153 -7.408 1.00 0.00 O ATOM 120 OE2 GLU A 11 3.889 -14.767 -6.640 1.00 0.00 O ATOM 0 H GLU A 11 -1.153 -14.144 -4.171 1.00 0.00 H new ATOM 0 HA GLU A 11 1.263 -13.869 -2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 11 0.717 -14.465 -5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.696 -12.734 -5.551 1.00 0.00 H new ATOM 0 HG2 GLU A 11 3.015 -12.544 -4.766 1.00 0.00 H new ATOM 0 HG3 GLU A 11 3.048 -14.252 -4.372 1.00 0.00 H new ATOM 127 N LEU A 12 -0.285 -11.049 -3.431 1.00 0.00 N ATOM 128 CA LEU A 12 -0.298 -9.620 -3.138 1.00 0.00 C ATOM 129 C LEU A 12 -0.372 -9.372 -1.634 1.00 0.00 C ATOM 130 O LEU A 12 0.511 -8.739 -1.055 1.00 0.00 O ATOM 131 CB LEU A 12 -1.481 -8.947 -3.835 1.00 0.00 C ATOM 132 CG LEU A 12 -1.716 -7.475 -3.490 1.00 0.00 C ATOM 133 CD1 LEU A 12 -0.604 -6.609 -4.061 1.00 0.00 C ATOM 134 CD2 LEU A 12 -3.072 -7.016 -4.006 1.00 0.00 C ATOM 0 H LEU A 12 -1.127 -11.393 -3.892 1.00 0.00 H new ATOM 0 HA LEU A 12 0.630 -9.190 -3.513 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.336 -9.028 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.385 -9.505 -3.592 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.709 -7.370 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.788 -5.565 -3.806 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.352 -6.922 -3.642 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.578 -6.718 -5.145 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -3.222 -5.967 -3.752 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -3.109 -7.136 -5.089 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.858 -7.616 -3.548 1.00 0.00 H new ATOM 146 N LEU A 13 -1.428 -9.879 -1.008 1.00 0.00 N ATOM 147 CA LEU A 13 -1.615 -9.716 0.430 1.00 0.00 C ATOM 148 C LEU A 13 -0.332 -10.041 1.187 1.00 0.00 C ATOM 149 O LEU A 13 0.302 -9.155 1.762 1.00 0.00 O ATOM 150 CB LEU A 13 -2.752 -10.615 0.921 1.00 0.00 C ATOM 151 CG LEU A 13 -2.824 -10.840 2.431 1.00 0.00 C ATOM 152 CD1 LEU A 13 -3.333 -9.592 3.134 1.00 0.00 C ATOM 153 CD2 LEU A 13 -3.712 -12.034 2.751 1.00 0.00 C ATOM 0 H LEU A 13 -2.167 -10.406 -1.473 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.874 -8.675 0.622 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -3.697 -10.183 0.593 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -2.658 -11.585 0.433 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.819 -11.052 2.795 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.377 -9.772 4.208 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.658 -8.760 2.933 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.329 -9.348 2.766 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.751 -12.179 3.831 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -4.718 -11.851 2.372 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -3.304 -12.928 2.279 1.00 0.00 H new ATOM 165 N ARG A 14 0.047 -11.313 1.181 1.00 0.00 N ATOM 166 CA ARG A 14 1.256 -11.754 1.867 1.00 0.00 C ATOM 167 C ARG A 14 2.400 -10.770 1.637 1.00 0.00 C ATOM 168 O ARG A 14 3.002 -10.271 2.588 1.00 0.00 O ATOM 169 CB ARG A 14 1.663 -13.147 1.383 1.00 0.00 C ATOM 170 CG ARG A 14 0.581 -14.197 1.571 1.00 0.00 C ATOM 171 CD ARG A 14 1.146 -15.606 1.466 1.00 0.00 C ATOM 172 NE ARG A 14 1.160 -16.089 0.089 1.00 0.00 N ATOM 173 CZ ARG A 14 2.137 -15.825 -0.773 1.00 0.00 C ATOM 174 NH1 ARG A 14 3.173 -15.087 -0.399 1.00 0.00 N ATOM 175 NH2 ARG A 14 2.079 -16.302 -2.010 1.00 0.00 N ATOM 0 H ARG A 14 -0.465 -12.058 0.709 1.00 0.00 H new ATOM 0 HA ARG A 14 1.043 -11.796 2.935 1.00 0.00 H new ATOM 0 HB2 ARG A 14 1.925 -13.093 0.326 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.559 -13.461 1.918 1.00 0.00 H new ATOM 0 HG2 ARG A 14 0.110 -14.065 2.545 1.00 0.00 H new ATOM 0 HG3 ARG A 14 -0.196 -14.059 0.819 1.00 0.00 H new ATOM 0 HD2 ARG A 14 2.160 -15.620 1.865 1.00 0.00 H new ATOM 0 HD3 ARG A 14 0.551 -16.282 2.081 1.00 0.00 H new ATOM 0 HE ARG A 14 0.377 -16.660 -0.229 1.00 0.00 H new ATOM 0 HH11 ARG A 14 3.221 -14.721 0.552 1.00 0.00 H new ATOM 0 HH12 ARG A 14 3.922 -14.886 -1.062 1.00 0.00 H new ATOM 0 HH21 ARG A 14 1.284 -16.872 -2.300 1.00 0.00 H new ATOM 0 HH22 ARG A 14 2.829 -16.099 -2.671 1.00 0.00 H new ATOM 189 N TRP A 15 2.694 -10.497 0.371 1.00 0.00 N ATOM 190 CA TRP A 15 3.766 -9.573 0.017 1.00 0.00 C ATOM 191 C TRP A 15 3.595 -8.240 0.736 1.00 0.00 C ATOM 192 O TRP A 15 4.548 -7.704 1.303 1.00 0.00 O ATOM 193 CB TRP A 15 3.797 -9.351 -1.495 1.00 0.00 C ATOM 194 CG TRP A 15 4.830 -8.355 -1.928 1.00 0.00 C ATOM 195 CD1 TRP A 15 6.159 -8.592 -2.138 1.00 0.00 C ATOM 196 CD2 TRP A 15 4.619 -6.966 -2.203 1.00 0.00 C ATOM 197 NE1 TRP A 15 6.787 -7.433 -2.526 1.00 0.00 N ATOM 198 CE2 TRP A 15 5.864 -6.421 -2.574 1.00 0.00 C ATOM 199 CE3 TRP A 15 3.500 -6.130 -2.174 1.00 0.00 C ATOM 200 CZ2 TRP A 15 6.019 -5.080 -2.912 1.00 0.00 C ATOM 201 CZ3 TRP A 15 3.655 -4.799 -2.508 1.00 0.00 C ATOM 202 CH2 TRP A 15 4.906 -4.284 -2.874 1.00 0.00 C ATOM 0 H TRP A 15 2.205 -10.902 -0.428 1.00 0.00 H new ATOM 0 HA TRP A 15 4.712 -10.015 0.331 1.00 0.00 H new ATOM 0 HB2 TRP A 15 3.990 -10.302 -1.991 1.00 0.00 H new ATOM 0 HB3 TRP A 15 2.815 -9.012 -1.826 1.00 0.00 H new ATOM 0 HD1 TRP A 15 6.644 -9.549 -2.017 1.00 0.00 H new ATOM 0 HE1 TRP A 15 7.779 -7.341 -2.743 1.00 0.00 H new ATOM 0 HE3 TRP A 15 2.531 -6.518 -1.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 6.982 -4.682 -3.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 2.797 -4.143 -2.487 1.00 0.00 H new ATOM 0 HH2 TRP A 15 4.994 -3.239 -3.131 1.00 0.00 H new ATOM 213 N CYS A 16 2.377 -7.711 0.711 1.00 0.00 N ATOM 214 CA CYS A 16 2.082 -6.439 1.360 1.00 0.00 C ATOM 215 C CYS A 16 2.373 -6.512 2.856 1.00 0.00 C ATOM 216 O CYS A 16 2.838 -5.543 3.455 1.00 0.00 O ATOM 217 CB CYS A 16 0.620 -6.052 1.131 1.00 0.00 C ATOM 218 SG CYS A 16 0.262 -5.489 -0.550 1.00 0.00 S ATOM 0 H CYS A 16 1.578 -8.143 0.248 1.00 0.00 H new ATOM 0 HA CYS A 16 2.725 -5.677 0.919 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -0.012 -6.911 1.358 1.00 0.00 H new ATOM 0 HB3 CYS A 16 0.350 -5.263 1.833 1.00 0.00 H new ATOM 0 HG CYS A 16 1.375 -5.205 -1.159 1.00 0.00 H new ATOM 224 N GLN A 17 2.093 -7.667 3.451 1.00 0.00 N ATOM 225 CA GLN A 17 2.322 -7.865 4.878 1.00 0.00 C ATOM 226 C GLN A 17 3.804 -7.737 5.215 1.00 0.00 C ATOM 227 O GLN A 17 4.166 -7.333 6.319 1.00 0.00 O ATOM 228 CB GLN A 17 1.804 -9.237 5.313 1.00 0.00 C ATOM 229 CG GLN A 17 0.291 -9.306 5.432 1.00 0.00 C ATOM 230 CD GLN A 17 -0.200 -10.683 5.837 1.00 0.00 C ATOM 231 OE1 GLN A 17 0.357 -11.700 5.423 1.00 0.00 O ATOM 232 NE2 GLN A 17 -1.248 -10.722 6.653 1.00 0.00 N ATOM 0 H GLN A 17 1.708 -8.479 2.968 1.00 0.00 H new ATOM 0 HA GLN A 17 1.778 -7.091 5.419 1.00 0.00 H new ATOM 0 HB2 GLN A 17 2.138 -9.986 4.596 1.00 0.00 H new ATOM 0 HB3 GLN A 17 2.248 -9.496 6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -0.046 -8.574 6.166 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -0.158 -9.030 4.478 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -1.679 -9.854 6.972 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -1.622 -11.620 6.961 1.00 0.00 H new ATOM 241 N GLU A 18 4.656 -8.082 4.254 1.00 0.00 N ATOM 242 CA GLU A 18 6.099 -8.007 4.451 1.00 0.00 C ATOM 243 C GLU A 18 6.600 -6.578 4.256 1.00 0.00 C ATOM 244 O GLU A 18 7.503 -6.126 4.960 1.00 0.00 O ATOM 245 CB GLU A 18 6.817 -8.947 3.482 1.00 0.00 C ATOM 246 CG GLU A 18 6.707 -10.414 3.862 1.00 0.00 C ATOM 247 CD GLU A 18 7.584 -11.307 3.007 1.00 0.00 C ATOM 248 OE1 GLU A 18 8.801 -11.385 3.284 1.00 0.00 O ATOM 249 OE2 GLU A 18 7.057 -11.928 2.061 1.00 0.00 O ATOM 0 H GLU A 18 4.372 -8.416 3.333 1.00 0.00 H new ATOM 0 HA GLU A 18 6.318 -8.315 5.474 1.00 0.00 H new ATOM 0 HB2 GLU A 18 6.406 -8.808 2.482 1.00 0.00 H new ATOM 0 HB3 GLU A 18 7.870 -8.671 3.435 1.00 0.00 H new ATOM 0 HG2 GLU A 18 6.983 -10.536 4.909 1.00 0.00 H new ATOM 0 HG3 GLU A 18 5.669 -10.733 3.767 1.00 0.00 H new ATOM 256 N GLN A 19 6.008 -5.875 3.296 1.00 0.00 N ATOM 257 CA GLN A 19 6.394 -4.499 3.008 1.00 0.00 C ATOM 258 C GLN A 19 5.922 -3.559 4.111 1.00 0.00 C ATOM 259 O GLN A 19 6.678 -2.707 4.583 1.00 0.00 O ATOM 260 CB GLN A 19 5.819 -4.056 1.662 1.00 0.00 C ATOM 261 CG GLN A 19 6.260 -4.926 0.496 1.00 0.00 C ATOM 262 CD GLN A 19 7.750 -5.201 0.504 1.00 0.00 C ATOM 263 OE1 GLN A 19 8.548 -4.350 0.900 1.00 0.00 O ATOM 264 NE2 GLN A 19 8.135 -6.393 0.065 1.00 0.00 N ATOM 0 H GLN A 19 5.259 -6.236 2.705 1.00 0.00 H new ATOM 0 HA GLN A 19 7.482 -4.456 2.961 1.00 0.00 H new ATOM 0 HB2 GLN A 19 4.731 -4.066 1.720 1.00 0.00 H new ATOM 0 HB3 GLN A 19 6.119 -3.026 1.470 1.00 0.00 H new ATOM 0 HG2 GLN A 19 5.720 -5.872 0.529 1.00 0.00 H new ATOM 0 HG3 GLN A 19 5.990 -4.437 -0.440 1.00 0.00 H new ATOM 0 HE21 GLN A 19 7.440 -7.068 -0.254 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.126 -6.634 0.047 1.00 0.00 H new ATOM 273 N THR A 20 4.666 -3.716 4.520 1.00 0.00 N ATOM 274 CA THR A 20 4.093 -2.880 5.566 1.00 0.00 C ATOM 275 C THR A 20 4.709 -3.198 6.923 1.00 0.00 C ATOM 276 O THR A 20 4.840 -2.320 7.776 1.00 0.00 O ATOM 277 CB THR A 20 2.565 -3.060 5.654 1.00 0.00 C ATOM 278 OG1 THR A 20 2.240 -4.450 5.760 1.00 0.00 O ATOM 279 CG2 THR A 20 1.879 -2.466 4.433 1.00 0.00 C ATOM 0 H THR A 20 4.027 -4.415 4.142 1.00 0.00 H new ATOM 0 HA THR A 20 4.316 -1.846 5.302 1.00 0.00 H new ATOM 0 HB THR A 20 2.211 -2.536 6.542 1.00 0.00 H new ATOM 0 HG1 THR A 20 2.264 -4.860 4.870 1.00 0.00 H new ATOM 0 HG21 THR A 20 0.801 -2.605 4.518 1.00 0.00 H new ATOM 0 HG22 THR A 20 2.104 -1.401 4.371 1.00 0.00 H new ATOM 0 HG23 THR A 20 2.240 -2.966 3.534 1.00 0.00 H new ATOM 287 N ALA A 21 5.085 -4.458 7.117 1.00 0.00 N ATOM 288 CA ALA A 21 5.691 -4.890 8.370 1.00 0.00 C ATOM 289 C ALA A 21 6.651 -3.835 8.909 1.00 0.00 C ATOM 290 O ALA A 21 7.283 -3.109 8.144 1.00 0.00 O ATOM 291 CB ALA A 21 6.413 -6.215 8.178 1.00 0.00 C ATOM 0 H ALA A 21 4.980 -5.197 6.422 1.00 0.00 H new ATOM 0 HA ALA A 21 4.895 -5.026 9.102 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.861 -6.525 9.122 1.00 0.00 H new ATOM 0 HB2 ALA A 21 5.702 -6.972 7.847 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.194 -6.098 7.427 1.00 0.00 H new ATOM 297 N GLY A 22 6.755 -3.757 10.233 1.00 0.00 N ATOM 298 CA GLY A 22 7.640 -2.786 10.850 1.00 0.00 C ATOM 299 C GLY A 22 6.907 -1.542 11.309 1.00 0.00 C ATOM 300 O GLY A 22 7.202 -0.994 12.372 1.00 0.00 O ATOM 0 H GLY A 22 6.243 -4.348 10.888 1.00 0.00 H new ATOM 0 HA2 GLY A 22 8.139 -3.245 11.703 1.00 0.00 H new ATOM 0 HA3 GLY A 22 8.417 -2.504 10.139 1.00 0.00 H new ATOM 304 N TYR A 23 5.948 -1.093 10.506 1.00 0.00 N ATOM 305 CA TYR A 23 5.173 0.098 10.834 1.00 0.00 C ATOM 306 C TYR A 23 4.306 -0.139 12.067 1.00 0.00 C ATOM 307 O TYR A 23 3.550 -1.107 12.149 1.00 0.00 O ATOM 308 CB TYR A 23 4.294 0.502 9.649 1.00 0.00 C ATOM 309 CG TYR A 23 4.036 1.989 9.565 1.00 0.00 C ATOM 310 CD1 TYR A 23 3.327 2.649 10.562 1.00 0.00 C ATOM 311 CD2 TYR A 23 4.502 2.736 8.490 1.00 0.00 C ATOM 312 CE1 TYR A 23 3.089 4.008 10.490 1.00 0.00 C ATOM 313 CE2 TYR A 23 4.269 4.095 8.410 1.00 0.00 C ATOM 314 CZ TYR A 23 3.561 4.726 9.412 1.00 0.00 C ATOM 315 OH TYR A 23 3.327 6.080 9.336 1.00 0.00 O ATOM 0 H TYR A 23 5.689 -1.535 9.624 1.00 0.00 H new ATOM 0 HA TYR A 23 5.871 0.906 11.053 1.00 0.00 H new ATOM 0 HB2 TYR A 23 4.770 0.172 8.726 1.00 0.00 H new ATOM 0 HB3 TYR A 23 3.340 -0.020 9.721 1.00 0.00 H new ATOM 0 HD1 TYR A 23 2.956 2.090 11.408 1.00 0.00 H new ATOM 0 HD2 TYR A 23 5.056 2.245 7.703 1.00 0.00 H new ATOM 0 HE1 TYR A 23 2.536 4.505 11.274 1.00 0.00 H new ATOM 0 HE2 TYR A 23 4.639 4.661 7.568 1.00 0.00 H new ATOM 0 HH TYR A 23 3.271 6.454 10.240 1.00 0.00 H new ATOM 325 N PRO A 24 4.416 0.768 13.050 1.00 0.00 N ATOM 326 CA PRO A 24 3.650 0.682 14.296 1.00 0.00 C ATOM 327 C PRO A 24 2.164 0.950 14.082 1.00 0.00 C ATOM 328 O PRO A 24 1.742 2.098 13.951 1.00 0.00 O ATOM 329 CB PRO A 24 4.270 1.775 15.169 1.00 0.00 C ATOM 330 CG PRO A 24 4.842 2.753 14.203 1.00 0.00 C ATOM 331 CD PRO A 24 5.297 1.948 13.018 1.00 0.00 C ATOM 0 HA PRO A 24 3.699 -0.314 14.737 1.00 0.00 H new ATOM 0 HB2 PRO A 24 3.522 2.242 15.809 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.041 1.369 15.824 1.00 0.00 H new ATOM 0 HG2 PRO A 24 4.097 3.492 13.909 1.00 0.00 H new ATOM 0 HG3 PRO A 24 5.675 3.298 14.647 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.189 2.506 12.088 1.00 0.00 H new ATOM 0 HD3 PRO A 24 6.347 1.668 13.101 1.00 0.00 H new ATOM 339 N GLY A 25 1.373 -0.119 14.050 1.00 0.00 N ATOM 340 CA GLY A 25 -0.057 0.022 13.852 1.00 0.00 C ATOM 341 C GLY A 25 -0.540 -0.673 12.595 1.00 0.00 C ATOM 342 O GLY A 25 -1.584 -1.328 12.600 1.00 0.00 O ATOM 0 H GLY A 25 1.698 -1.080 14.158 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -0.582 -0.388 14.715 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -0.310 1.081 13.798 1.00 0.00 H new ATOM 346 N VAL A 26 0.218 -0.530 11.512 1.00 0.00 N ATOM 347 CA VAL A 26 -0.139 -1.149 10.241 1.00 0.00 C ATOM 348 C VAL A 26 -0.123 -2.670 10.347 1.00 0.00 C ATOM 349 O VAL A 26 0.938 -3.282 10.480 1.00 0.00 O ATOM 350 CB VAL A 26 0.817 -0.713 9.116 1.00 0.00 C ATOM 351 CG1 VAL A 26 0.311 -1.198 7.766 1.00 0.00 C ATOM 352 CG2 VAL A 26 0.989 0.798 9.119 1.00 0.00 C ATOM 0 H VAL A 26 1.083 0.009 11.490 1.00 0.00 H new ATOM 0 HA VAL A 26 -1.148 -0.815 9.999 1.00 0.00 H new ATOM 0 HB VAL A 26 1.792 -1.167 9.295 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.000 -0.880 6.984 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.245 -2.286 7.772 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -0.676 -0.776 7.574 1.00 0.00 H new ATOM 0 HG21 VAL A 26 1.668 1.088 8.317 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.021 1.275 8.965 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.402 1.115 10.077 1.00 0.00 H new ATOM 362 N HIS A 27 -1.305 -3.275 10.287 1.00 0.00 N ATOM 363 CA HIS A 27 -1.427 -4.726 10.375 1.00 0.00 C ATOM 364 C HIS A 27 -2.327 -5.263 9.266 1.00 0.00 C ATOM 365 O HIS A 27 -3.485 -5.609 9.504 1.00 0.00 O ATOM 366 CB HIS A 27 -1.983 -5.130 11.740 1.00 0.00 C ATOM 367 CG HIS A 27 -1.708 -6.558 12.099 1.00 0.00 C ATOM 368 ND1 HIS A 27 -1.439 -6.971 13.387 1.00 0.00 N ATOM 369 CD2 HIS A 27 -1.664 -7.672 11.332 1.00 0.00 C ATOM 370 CE1 HIS A 27 -1.239 -8.278 13.395 1.00 0.00 C ATOM 371 NE2 HIS A 27 -1.371 -8.726 12.160 1.00 0.00 N ATOM 0 H HIS A 27 -2.192 -2.783 10.178 1.00 0.00 H new ATOM 0 HA HIS A 27 -0.434 -5.158 10.254 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -1.554 -4.482 12.504 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -3.060 -4.963 11.749 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -1.829 -7.722 10.266 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -1.007 -8.877 14.263 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -1.271 -9.698 11.869 1.00 0.00 H new ATOM 380 N VAL A 28 -1.787 -5.331 8.053 1.00 0.00 N ATOM 381 CA VAL A 28 -2.541 -5.827 6.907 1.00 0.00 C ATOM 382 C VAL A 28 -3.069 -7.234 7.165 1.00 0.00 C ATOM 383 O VAL A 28 -2.332 -8.214 7.063 1.00 0.00 O ATOM 384 CB VAL A 28 -1.678 -5.840 5.632 1.00 0.00 C ATOM 385 CG1 VAL A 28 -2.461 -6.421 4.463 1.00 0.00 C ATOM 386 CG2 VAL A 28 -1.184 -4.438 5.309 1.00 0.00 C ATOM 0 H VAL A 28 -0.831 -5.049 7.838 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.381 -5.148 6.761 1.00 0.00 H new ATOM 0 HB VAL A 28 -0.810 -6.475 5.808 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -1.835 -6.422 3.571 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -2.761 -7.442 4.698 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.349 -5.815 4.283 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -0.576 -4.466 4.405 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -2.038 -3.779 5.152 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -0.584 -4.063 6.138 1.00 0.00 H new ATOM 396 N SER A 29 -4.353 -7.326 7.499 1.00 0.00 N ATOM 397 CA SER A 29 -4.979 -8.613 7.774 1.00 0.00 C ATOM 398 C SER A 29 -5.919 -9.014 6.640 1.00 0.00 C ATOM 399 O SER A 29 -6.130 -10.199 6.384 1.00 0.00 O ATOM 400 CB SER A 29 -5.751 -8.556 9.094 1.00 0.00 C ATOM 401 OG SER A 29 -6.951 -7.815 8.953 1.00 0.00 O ATOM 0 H SER A 29 -4.979 -6.525 7.585 1.00 0.00 H new ATOM 0 HA SER A 29 -4.192 -9.363 7.853 1.00 0.00 H new ATOM 0 HB2 SER A 29 -5.982 -9.568 9.427 1.00 0.00 H new ATOM 0 HB3 SER A 29 -5.128 -8.101 9.864 1.00 0.00 H new ATOM 0 HG SER A 29 -7.644 -8.386 8.559 1.00 0.00 H new ATOM 407 N ASP A 30 -6.480 -8.016 5.966 1.00 0.00 N ATOM 408 CA ASP A 30 -7.397 -8.262 4.858 1.00 0.00 C ATOM 409 C ASP A 30 -7.555 -7.013 3.996 1.00 0.00 C ATOM 410 O ASP A 30 -7.643 -5.898 4.511 1.00 0.00 O ATOM 411 CB ASP A 30 -8.761 -8.709 5.387 1.00 0.00 C ATOM 412 CG ASP A 30 -8.665 -9.933 6.275 1.00 0.00 C ATOM 413 OD1 ASP A 30 -8.331 -11.018 5.755 1.00 0.00 O ATOM 414 OD2 ASP A 30 -8.923 -9.807 7.490 1.00 0.00 O ATOM 0 H ASP A 30 -6.316 -7.029 6.167 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.978 -9.056 4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -9.215 -7.892 5.947 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -9.421 -8.925 4.546 1.00 0.00 H new ATOM 419 N LEU A 31 -7.590 -7.208 2.683 1.00 0.00 N ATOM 420 CA LEU A 31 -7.737 -6.097 1.748 1.00 0.00 C ATOM 421 C LEU A 31 -9.178 -5.597 1.719 1.00 0.00 C ATOM 422 O LEU A 31 -9.783 -5.480 0.654 1.00 0.00 O ATOM 423 CB LEU A 31 -7.305 -6.525 0.345 1.00 0.00 C ATOM 424 CG LEU A 31 -5.799 -6.649 0.115 1.00 0.00 C ATOM 425 CD1 LEU A 31 -5.262 -7.916 0.764 1.00 0.00 C ATOM 426 CD2 LEU A 31 -5.483 -6.635 -1.374 1.00 0.00 C ATOM 0 H LEU A 31 -7.519 -8.124 2.241 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.096 -5.283 2.086 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.767 -7.487 0.122 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.704 -5.806 -0.371 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.309 -5.792 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -4.188 -7.987 0.590 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.454 -7.885 1.836 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.758 -8.785 0.331 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.406 -6.724 -1.518 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.985 -7.472 -1.860 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -5.831 -5.699 -1.811 1.00 0.00 H new ATOM 438 N SER A 32 -9.720 -5.301 2.896 1.00 0.00 N ATOM 439 CA SER A 32 -11.090 -4.814 3.006 1.00 0.00 C ATOM 440 C SER A 32 -11.152 -3.555 3.865 1.00 0.00 C ATOM 441 O SER A 32 -11.603 -2.503 3.411 1.00 0.00 O ATOM 442 CB SER A 32 -11.991 -5.897 3.603 1.00 0.00 C ATOM 443 OG SER A 32 -13.350 -5.496 3.584 1.00 0.00 O ATOM 0 H SER A 32 -9.231 -5.390 3.787 1.00 0.00 H new ATOM 0 HA SER A 32 -11.444 -4.567 2.005 1.00 0.00 H new ATOM 0 HB2 SER A 32 -11.874 -6.823 3.040 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.684 -6.106 4.628 1.00 0.00 H new ATOM 0 HG SER A 32 -13.906 -6.205 3.969 1.00 0.00 H new ATOM 449 N SER A 33 -10.697 -3.670 5.108 1.00 0.00 N ATOM 450 CA SER A 33 -10.704 -2.543 6.033 1.00 0.00 C ATOM 451 C SER A 33 -9.299 -2.262 6.557 1.00 0.00 C ATOM 452 O SER A 33 -8.984 -1.138 6.947 1.00 0.00 O ATOM 453 CB SER A 33 -11.651 -2.821 7.201 1.00 0.00 C ATOM 454 OG SER A 33 -12.985 -2.479 6.870 1.00 0.00 O ATOM 0 H SER A 33 -10.318 -4.533 5.498 1.00 0.00 H new ATOM 0 HA SER A 33 -11.054 -1.663 5.493 1.00 0.00 H new ATOM 0 HB2 SER A 33 -11.599 -3.876 7.472 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.333 -2.252 8.074 1.00 0.00 H new ATOM 0 HG SER A 33 -13.570 -2.668 7.633 1.00 0.00 H new ATOM 460 N SER A 34 -8.459 -3.292 6.563 1.00 0.00 N ATOM 461 CA SER A 34 -7.089 -3.159 7.043 1.00 0.00 C ATOM 462 C SER A 34 -6.388 -1.985 6.365 1.00 0.00 C ATOM 463 O SER A 34 -5.437 -1.420 6.906 1.00 0.00 O ATOM 464 CB SER A 34 -6.308 -4.449 6.788 1.00 0.00 C ATOM 465 OG SER A 34 -5.306 -4.643 7.771 1.00 0.00 O ATOM 0 H SER A 34 -8.704 -4.228 6.241 1.00 0.00 H new ATOM 0 HA SER A 34 -7.123 -2.970 8.116 1.00 0.00 H new ATOM 0 HB2 SER A 34 -6.992 -5.298 6.789 1.00 0.00 H new ATOM 0 HB3 SER A 34 -5.849 -4.411 5.800 1.00 0.00 H new ATOM 0 HG SER A 34 -5.712 -5.010 8.584 1.00 0.00 H new ATOM 471 N TRP A 35 -6.865 -1.624 5.179 1.00 0.00 N ATOM 472 CA TRP A 35 -6.286 -0.517 4.427 1.00 0.00 C ATOM 473 C TRP A 35 -7.187 0.710 4.482 1.00 0.00 C ATOM 474 O TRP A 35 -6.774 1.812 4.121 1.00 0.00 O ATOM 475 CB TRP A 35 -6.053 -0.930 2.972 1.00 0.00 C ATOM 476 CG TRP A 35 -5.152 -2.119 2.828 1.00 0.00 C ATOM 477 CD1 TRP A 35 -5.437 -3.410 3.170 1.00 0.00 C ATOM 478 CD2 TRP A 35 -3.818 -2.125 2.308 1.00 0.00 C ATOM 479 NE1 TRP A 35 -4.362 -4.219 2.891 1.00 0.00 N ATOM 480 CE2 TRP A 35 -3.356 -3.455 2.362 1.00 0.00 C ATOM 481 CE3 TRP A 35 -2.970 -1.137 1.799 1.00 0.00 C ATOM 482 CZ2 TRP A 35 -2.084 -3.818 1.928 1.00 0.00 C ATOM 483 CZ3 TRP A 35 -1.708 -1.500 1.369 1.00 0.00 C ATOM 484 CH2 TRP A 35 -1.274 -2.832 1.435 1.00 0.00 C ATOM 0 H TRP A 35 -7.651 -2.082 4.718 1.00 0.00 H new ATOM 0 HA TRP A 35 -5.330 -0.261 4.883 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -7.013 -1.153 2.507 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -5.623 -0.089 2.428 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -6.370 -3.746 3.597 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -4.320 -5.225 3.052 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -3.295 -0.109 1.743 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -1.748 -4.843 1.979 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.044 -0.745 0.975 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.282 -3.084 1.090 1.00 0.00 H new ATOM 495 N ALA A 36 -8.420 0.513 4.937 1.00 0.00 N ATOM 496 CA ALA A 36 -9.380 1.605 5.042 1.00 0.00 C ATOM 497 C ALA A 36 -8.832 2.735 5.908 1.00 0.00 C ATOM 498 O ALA A 36 -9.145 3.906 5.689 1.00 0.00 O ATOM 499 CB ALA A 36 -10.699 1.098 5.603 1.00 0.00 C ATOM 0 H ALA A 36 -8.778 -0.393 5.239 1.00 0.00 H new ATOM 0 HA ALA A 36 -9.554 2.001 4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -11.405 1.925 5.675 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -11.104 0.331 4.943 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -10.534 0.674 6.593 1.00 0.00 H new ATOM 505 N ASP A 37 -8.017 2.376 6.893 1.00 0.00 N ATOM 506 CA ASP A 37 -7.426 3.360 7.793 1.00 0.00 C ATOM 507 C ASP A 37 -6.584 4.370 7.019 1.00 0.00 C ATOM 508 O ASP A 37 -6.672 5.575 7.252 1.00 0.00 O ATOM 509 CB ASP A 37 -6.567 2.665 8.850 1.00 0.00 C ATOM 510 CG ASP A 37 -5.715 3.641 9.638 1.00 0.00 C ATOM 511 OD1 ASP A 37 -6.240 4.245 10.598 1.00 0.00 O ATOM 512 OD2 ASP A 37 -4.525 3.803 9.294 1.00 0.00 O ATOM 0 H ASP A 37 -7.750 1.411 7.089 1.00 0.00 H new ATOM 0 HA ASP A 37 -8.237 3.895 8.288 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.213 2.116 9.535 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -5.921 1.933 8.365 1.00 0.00 H new ATOM 517 N GLY A 38 -5.768 3.868 6.096 1.00 0.00 N ATOM 518 CA GLY A 38 -4.922 4.739 5.302 1.00 0.00 C ATOM 519 C GLY A 38 -3.446 4.457 5.507 1.00 0.00 C ATOM 520 O GLY A 38 -2.688 4.345 4.543 1.00 0.00 O ATOM 0 H GLY A 38 -5.678 2.874 5.885 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.169 4.618 4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -5.130 5.777 5.561 1.00 0.00 H new ATOM 524 N LEU A 39 -3.036 4.344 6.766 1.00 0.00 N ATOM 525 CA LEU A 39 -1.641 4.075 7.095 1.00 0.00 C ATOM 526 C LEU A 39 -1.075 2.972 6.206 1.00 0.00 C ATOM 527 O LEU A 39 0.031 3.092 5.680 1.00 0.00 O ATOM 528 CB LEU A 39 -1.510 3.677 8.566 1.00 0.00 C ATOM 529 CG LEU A 39 -1.359 4.828 9.561 1.00 0.00 C ATOM 530 CD1 LEU A 39 -1.561 4.332 10.985 1.00 0.00 C ATOM 531 CD2 LEU A 39 0.004 5.486 9.413 1.00 0.00 C ATOM 0 H LEU A 39 -3.650 4.435 7.575 1.00 0.00 H new ATOM 0 HA LEU A 39 -1.070 4.987 6.920 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.389 3.096 8.844 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.647 3.019 8.668 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.125 5.573 9.344 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -1.450 5.165 11.680 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.560 3.908 11.084 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -0.818 3.568 11.213 1.00 0.00 H new ATOM 0 HD21 LEU A 39 0.093 6.303 10.129 1.00 0.00 H new ATOM 0 HD22 LEU A 39 0.786 4.750 9.602 1.00 0.00 H new ATOM 0 HD23 LEU A 39 0.111 5.877 8.401 1.00 0.00 H new ATOM 543 N ALA A 40 -1.841 1.900 6.041 1.00 0.00 N ATOM 544 CA ALA A 40 -1.419 0.777 5.213 1.00 0.00 C ATOM 545 C ALA A 40 -0.627 1.257 4.000 1.00 0.00 C ATOM 546 O ALA A 40 0.547 0.921 3.839 1.00 0.00 O ATOM 547 CB ALA A 40 -2.626 -0.035 4.768 1.00 0.00 C ATOM 0 H ALA A 40 -2.759 1.785 6.470 1.00 0.00 H new ATOM 0 HA ALA A 40 -0.768 0.141 5.813 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -2.295 -0.870 4.151 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.151 -0.417 5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -3.298 0.599 4.190 1.00 0.00 H new ATOM 553 N LEU A 41 -1.275 2.046 3.151 1.00 0.00 N ATOM 554 CA LEU A 41 -0.631 2.572 1.952 1.00 0.00 C ATOM 555 C LEU A 41 0.620 3.366 2.310 1.00 0.00 C ATOM 556 O LEU A 41 1.615 3.338 1.585 1.00 0.00 O ATOM 557 CB LEU A 41 -1.606 3.458 1.173 1.00 0.00 C ATOM 558 CG LEU A 41 -2.460 2.751 0.119 1.00 0.00 C ATOM 559 CD1 LEU A 41 -3.730 3.541 -0.156 1.00 0.00 C ATOM 560 CD2 LEU A 41 -1.665 2.552 -1.164 1.00 0.00 C ATOM 0 H LEU A 41 -2.246 2.336 3.270 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.337 1.729 1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.273 3.944 1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.036 4.246 0.681 1.00 0.00 H new ATOM 0 HG LEU A 41 -2.742 1.771 0.504 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -4.325 3.023 -0.908 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -4.308 3.633 0.764 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -3.469 4.534 -0.521 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -2.287 2.048 -1.903 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -1.353 3.521 -1.553 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -0.784 1.944 -0.956 1.00 0.00 H new ATOM 572 N CYS A 42 0.564 4.073 3.434 1.00 0.00 N ATOM 573 CA CYS A 42 1.694 4.874 3.890 1.00 0.00 C ATOM 574 C CYS A 42 2.894 3.988 4.213 1.00 0.00 C ATOM 575 O CYS A 42 4.026 4.303 3.846 1.00 0.00 O ATOM 576 CB CYS A 42 1.303 5.691 5.122 1.00 0.00 C ATOM 577 SG CYS A 42 -0.299 6.519 4.980 1.00 0.00 S ATOM 0 H CYS A 42 -0.252 4.107 4.046 1.00 0.00 H new ATOM 0 HA CYS A 42 1.973 5.554 3.085 1.00 0.00 H new ATOM 0 HB2 CYS A 42 1.284 5.033 5.990 1.00 0.00 H new ATOM 0 HB3 CYS A 42 2.072 6.441 5.307 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.232 5.631 4.804 1.00 0.00 H new ATOM 583 N ALA A 43 2.637 2.882 4.903 1.00 0.00 N ATOM 584 CA ALA A 43 3.695 1.951 5.275 1.00 0.00 C ATOM 585 C ALA A 43 4.338 1.328 4.040 1.00 0.00 C ATOM 586 O ALA A 43 5.557 1.372 3.873 1.00 0.00 O ATOM 587 CB ALA A 43 3.146 0.867 6.190 1.00 0.00 C ATOM 0 H ALA A 43 1.705 2.609 5.216 1.00 0.00 H new ATOM 0 HA ALA A 43 4.464 2.508 5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 43 3.947 0.179 6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.740 1.324 7.093 1.00 0.00 H new ATOM 0 HB3 ALA A 43 2.357 0.321 5.674 1.00 0.00 H new ATOM 593 N LEU A 44 3.510 0.747 3.178 1.00 0.00 N ATOM 594 CA LEU A 44 3.998 0.115 1.957 1.00 0.00 C ATOM 595 C LEU A 44 4.893 1.066 1.170 1.00 0.00 C ATOM 596 O LEU A 44 5.940 0.669 0.658 1.00 0.00 O ATOM 597 CB LEU A 44 2.822 -0.335 1.088 1.00 0.00 C ATOM 598 CG LEU A 44 3.136 -0.586 -0.388 1.00 0.00 C ATOM 599 CD1 LEU A 44 3.770 -1.956 -0.573 1.00 0.00 C ATOM 600 CD2 LEU A 44 1.874 -0.461 -1.230 1.00 0.00 C ATOM 0 H LEU A 44 2.499 0.701 3.302 1.00 0.00 H new ATOM 0 HA LEU A 44 4.588 -0.757 2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.412 -1.251 1.513 1.00 0.00 H new ATOM 0 HB3 LEU A 44 2.040 0.422 1.149 1.00 0.00 H new ATOM 0 HG LEU A 44 3.848 0.169 -0.722 1.00 0.00 H new ATOM 0 HD11 LEU A 44 3.986 -2.117 -1.629 1.00 0.00 H new ATOM 0 HD12 LEU A 44 4.696 -2.009 -0.001 1.00 0.00 H new ATOM 0 HD13 LEU A 44 3.082 -2.726 -0.222 1.00 0.00 H new ATOM 0 HD21 LEU A 44 2.116 -0.643 -2.277 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.139 -1.193 -0.895 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.462 0.542 -1.121 1.00 0.00 H new ATOM 612 N VAL A 45 4.474 2.324 1.078 1.00 0.00 N ATOM 613 CA VAL A 45 5.239 3.334 0.356 1.00 0.00 C ATOM 614 C VAL A 45 6.533 3.671 1.090 1.00 0.00 C ATOM 615 O VAL A 45 7.625 3.526 0.541 1.00 0.00 O ATOM 616 CB VAL A 45 4.422 4.624 0.160 1.00 0.00 C ATOM 617 CG1 VAL A 45 5.258 5.686 -0.537 1.00 0.00 C ATOM 618 CG2 VAL A 45 3.151 4.335 -0.624 1.00 0.00 C ATOM 0 H VAL A 45 3.609 2.668 1.494 1.00 0.00 H new ATOM 0 HA VAL A 45 5.477 2.913 -0.621 1.00 0.00 H new ATOM 0 HB VAL A 45 4.138 5.006 1.141 1.00 0.00 H new ATOM 0 HG11 VAL A 45 4.663 6.590 -0.667 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.136 5.913 0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 45 5.575 5.317 -1.513 1.00 0.00 H new ATOM 0 HG21 VAL A 45 2.586 5.258 -0.753 1.00 0.00 H new ATOM 0 HG22 VAL A 45 3.411 3.929 -1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 45 2.544 3.611 -0.080 1.00 0.00 H new ATOM 628 N TYR A 46 6.402 4.123 2.332 1.00 0.00 N ATOM 629 CA TYR A 46 7.559 4.483 3.141 1.00 0.00 C ATOM 630 C TYR A 46 8.580 3.349 3.167 1.00 0.00 C ATOM 631 O TYR A 46 9.728 3.523 2.757 1.00 0.00 O ATOM 632 CB TYR A 46 7.125 4.826 4.567 1.00 0.00 C ATOM 633 CG TYR A 46 6.626 6.245 4.724 1.00 0.00 C ATOM 634 CD1 TYR A 46 7.418 7.325 4.352 1.00 0.00 C ATOM 635 CD2 TYR A 46 5.364 6.504 5.243 1.00 0.00 C ATOM 636 CE1 TYR A 46 6.966 8.623 4.494 1.00 0.00 C ATOM 637 CE2 TYR A 46 4.904 7.799 5.387 1.00 0.00 C ATOM 638 CZ TYR A 46 5.708 8.855 5.011 1.00 0.00 C ATOM 639 OH TYR A 46 5.253 10.145 5.154 1.00 0.00 O ATOM 0 H TYR A 46 5.505 4.249 2.801 1.00 0.00 H new ATOM 0 HA TYR A 46 8.026 5.359 2.690 1.00 0.00 H new ATOM 0 HB2 TYR A 46 6.338 4.137 4.874 1.00 0.00 H new ATOM 0 HB3 TYR A 46 7.967 4.669 5.242 1.00 0.00 H new ATOM 0 HD1 TYR A 46 8.403 7.147 3.945 1.00 0.00 H new ATOM 0 HD2 TYR A 46 4.732 5.680 5.539 1.00 0.00 H new ATOM 0 HE1 TYR A 46 7.594 9.452 4.202 1.00 0.00 H new ATOM 0 HE2 TYR A 46 3.920 7.983 5.792 1.00 0.00 H new ATOM 0 HH TYR A 46 5.209 10.576 4.275 1.00 0.00 H new ATOM 649 N ARG A 47 8.152 2.187 3.651 1.00 0.00 N ATOM 650 CA ARG A 47 9.028 1.025 3.732 1.00 0.00 C ATOM 651 C ARG A 47 9.691 0.750 2.386 1.00 0.00 C ATOM 652 O ARG A 47 10.918 0.763 2.271 1.00 0.00 O ATOM 653 CB ARG A 47 8.237 -0.205 4.184 1.00 0.00 C ATOM 654 CG ARG A 47 9.070 -1.212 4.959 1.00 0.00 C ATOM 655 CD ARG A 47 9.758 -2.200 4.031 1.00 0.00 C ATOM 656 NE ARG A 47 10.736 -3.025 4.736 1.00 0.00 N ATOM 657 CZ ARG A 47 11.866 -2.549 5.247 1.00 0.00 C ATOM 658 NH1 ARG A 47 12.159 -1.260 5.132 1.00 0.00 N ATOM 659 NH2 ARG A 47 12.705 -3.362 5.874 1.00 0.00 N ATOM 0 H ARG A 47 7.204 2.026 3.993 1.00 0.00 H new ATOM 0 HA ARG A 47 9.807 1.238 4.464 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.402 0.118 4.806 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.811 -0.695 3.308 1.00 0.00 H new ATOM 0 HG2 ARG A 47 9.819 -0.687 5.552 1.00 0.00 H new ATOM 0 HG3 ARG A 47 8.432 -1.752 5.658 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.010 -2.842 3.567 1.00 0.00 H new ATOM 0 HD3 ARG A 47 10.255 -1.657 3.227 1.00 0.00 H new ATOM 0 HE ARG A 47 10.541 -4.021 4.842 1.00 0.00 H new ATOM 0 HH11 ARG A 47 11.516 -0.632 4.650 1.00 0.00 H new ATOM 0 HH12 ARG A 47 13.027 -0.897 5.525 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.483 -4.353 5.964 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.573 -2.996 6.266 1.00 0.00 H new ATOM 673 N LEU A 48 8.874 0.500 1.369 1.00 0.00 N ATOM 674 CA LEU A 48 9.381 0.221 0.030 1.00 0.00 C ATOM 675 C LEU A 48 10.619 1.060 -0.269 1.00 0.00 C ATOM 676 O LEU A 48 11.660 0.530 -0.654 1.00 0.00 O ATOM 677 CB LEU A 48 8.298 0.496 -1.015 1.00 0.00 C ATOM 678 CG LEU A 48 7.342 -0.659 -1.313 1.00 0.00 C ATOM 679 CD1 LEU A 48 6.152 -0.170 -2.124 1.00 0.00 C ATOM 680 CD2 LEU A 48 8.069 -1.776 -2.047 1.00 0.00 C ATOM 0 H LEU A 48 7.857 0.485 1.446 1.00 0.00 H new ATOM 0 HA LEU A 48 9.660 -0.832 -0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 48 7.710 1.351 -0.682 1.00 0.00 H new ATOM 0 HB3 LEU A 48 8.785 0.787 -1.946 1.00 0.00 H new ATOM 0 HG LEU A 48 6.972 -1.054 -0.367 1.00 0.00 H new ATOM 0 HD11 LEU A 48 5.482 -1.005 -2.327 1.00 0.00 H new ATOM 0 HD12 LEU A 48 5.618 0.595 -1.561 1.00 0.00 H new ATOM 0 HD13 LEU A 48 6.502 0.251 -3.066 1.00 0.00 H new ATOM 0 HD21 LEU A 48 7.374 -2.590 -2.251 1.00 0.00 H new ATOM 0 HD22 LEU A 48 8.467 -1.395 -2.987 1.00 0.00 H new ATOM 0 HD23 LEU A 48 8.888 -2.145 -1.429 1.00 0.00 H new ATOM 692 N GLN A 49 10.497 2.371 -0.088 1.00 0.00 N ATOM 693 CA GLN A 49 11.606 3.283 -0.337 1.00 0.00 C ATOM 694 C GLN A 49 12.026 3.994 0.945 1.00 0.00 C ATOM 695 O GLN A 49 11.371 4.928 1.409 1.00 0.00 O ATOM 696 CB GLN A 49 11.219 4.311 -1.402 1.00 0.00 C ATOM 697 CG GLN A 49 11.528 3.863 -2.821 1.00 0.00 C ATOM 698 CD GLN A 49 10.966 4.807 -3.866 1.00 0.00 C ATOM 699 OE1 GLN A 49 10.307 4.380 -4.815 1.00 0.00 O ATOM 700 NE2 GLN A 49 11.223 6.099 -3.696 1.00 0.00 N ATOM 0 H GLN A 49 9.641 2.825 0.230 1.00 0.00 H new ATOM 0 HA GLN A 49 12.451 2.697 -0.698 1.00 0.00 H new ATOM 0 HB2 GLN A 49 10.153 4.522 -1.321 1.00 0.00 H new ATOM 0 HB3 GLN A 49 11.745 5.245 -1.202 1.00 0.00 H new ATOM 0 HG2 GLN A 49 12.608 3.788 -2.947 1.00 0.00 H new ATOM 0 HG3 GLN A 49 11.119 2.865 -2.980 1.00 0.00 H new ATOM 0 HE21 GLN A 49 11.773 6.408 -2.895 1.00 0.00 H new ATOM 0 HE22 GLN A 49 10.870 6.782 -4.366 1.00 0.00 H new ATOM 709 N PRO A 50 13.142 3.542 1.534 1.00 0.00 N ATOM 710 CA PRO A 50 13.675 4.121 2.772 1.00 0.00 C ATOM 711 C PRO A 50 14.235 5.523 2.562 1.00 0.00 C ATOM 712 O PRO A 50 14.367 6.298 3.508 1.00 0.00 O ATOM 713 CB PRO A 50 14.793 3.152 3.165 1.00 0.00 C ATOM 714 CG PRO A 50 15.213 2.519 1.883 1.00 0.00 C ATOM 715 CD PRO A 50 13.973 2.432 1.038 1.00 0.00 C ATOM 0 HA PRO A 50 12.903 4.234 3.534 1.00 0.00 H new ATOM 0 HB2 PRO A 50 15.623 3.676 3.638 1.00 0.00 H new ATOM 0 HB3 PRO A 50 14.439 2.407 3.877 1.00 0.00 H new ATOM 0 HG2 PRO A 50 15.981 3.113 1.388 1.00 0.00 H new ATOM 0 HG3 PRO A 50 15.637 1.530 2.057 1.00 0.00 H new ATOM 0 HD2 PRO A 50 14.201 2.543 -0.022 1.00 0.00 H new ATOM 0 HD3 PRO A 50 13.472 1.471 1.157 1.00 0.00 H new ATOM 723 N GLY A 51 14.564 5.844 1.313 1.00 0.00 N ATOM 724 CA GLY A 51 15.105 7.154 1.001 1.00 0.00 C ATOM 725 C GLY A 51 14.131 8.273 1.313 1.00 0.00 C ATOM 726 O GLY A 51 14.501 9.275 1.928 1.00 0.00 O ATOM 0 H GLY A 51 14.465 5.220 0.512 1.00 0.00 H new ATOM 0 HA2 GLY A 51 16.024 7.308 1.566 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.371 7.192 -0.055 1.00 0.00 H new ATOM 730 N LEU A 52 12.885 8.106 0.885 1.00 0.00 N ATOM 731 CA LEU A 52 11.854 9.112 1.120 1.00 0.00 C ATOM 732 C LEU A 52 11.719 9.415 2.610 1.00 0.00 C ATOM 733 O LEU A 52 12.034 8.577 3.456 1.00 0.00 O ATOM 734 CB LEU A 52 10.513 8.636 0.561 1.00 0.00 C ATOM 735 CG LEU A 52 10.254 8.942 -0.914 1.00 0.00 C ATOM 736 CD1 LEU A 52 9.381 7.864 -1.539 1.00 0.00 C ATOM 737 CD2 LEU A 52 9.607 10.311 -1.069 1.00 0.00 C ATOM 0 H LEU A 52 12.564 7.284 0.374 1.00 0.00 H new ATOM 0 HA LEU A 52 12.150 10.027 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 52 10.444 7.558 0.705 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.715 9.088 1.151 1.00 0.00 H new ATOM 0 HG LEU A 52 11.211 8.953 -1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.208 8.100 -2.589 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.883 6.899 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.426 7.820 -1.015 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.430 10.512 -2.126 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.658 10.328 -0.532 1.00 0.00 H new ATOM 0 HD23 LEU A 52 10.269 11.075 -0.660 1.00 0.00 H new ATOM 749 N LEU A 53 11.246 10.617 2.923 1.00 0.00 N ATOM 750 CA LEU A 53 11.066 11.030 4.309 1.00 0.00 C ATOM 751 C LEU A 53 10.286 9.980 5.094 1.00 0.00 C ATOM 752 O LEU A 53 9.853 8.971 4.538 1.00 0.00 O ATOM 753 CB LEU A 53 10.338 12.375 4.371 1.00 0.00 C ATOM 754 CG LEU A 53 8.845 12.345 4.042 1.00 0.00 C ATOM 755 CD1 LEU A 53 8.571 11.386 2.893 1.00 0.00 C ATOM 756 CD2 LEU A 53 8.036 11.954 5.270 1.00 0.00 C ATOM 0 H LEU A 53 10.981 11.322 2.235 1.00 0.00 H new ATOM 0 HA LEU A 53 12.052 11.136 4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.461 12.786 5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 53 10.828 13.063 3.682 1.00 0.00 H new ATOM 0 HG LEU A 53 8.540 13.345 3.734 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.504 11.378 2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 53 9.121 11.710 2.010 1.00 0.00 H new ATOM 0 HD13 LEU A 53 8.892 10.382 3.172 1.00 0.00 H new ATOM 0 HD21 LEU A 53 6.976 11.938 5.017 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.344 10.965 5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.208 12.679 6.065 1.00 0.00 H new ATOM 768 N GLU A 54 10.109 10.226 6.388 1.00 0.00 N ATOM 769 CA GLU A 54 9.379 9.302 7.249 1.00 0.00 C ATOM 770 C GLU A 54 8.100 9.945 7.777 1.00 0.00 C ATOM 771 O GLU A 54 7.991 11.166 7.893 1.00 0.00 O ATOM 772 CB GLU A 54 10.259 8.855 8.417 1.00 0.00 C ATOM 773 CG GLU A 54 11.465 8.035 7.992 1.00 0.00 C ATOM 774 CD GLU A 54 12.199 7.422 9.169 1.00 0.00 C ATOM 775 OE1 GLU A 54 12.015 7.911 10.303 1.00 0.00 O ATOM 776 OE2 GLU A 54 12.956 6.453 8.956 1.00 0.00 O ATOM 0 H GLU A 54 10.461 11.057 6.863 1.00 0.00 H new ATOM 0 HA GLU A 54 9.107 8.430 6.655 1.00 0.00 H new ATOM 0 HB2 GLU A 54 10.602 9.736 8.960 1.00 0.00 H new ATOM 0 HB3 GLU A 54 9.657 8.268 9.110 1.00 0.00 H new ATOM 0 HG2 GLU A 54 11.141 7.242 7.318 1.00 0.00 H new ATOM 0 HG3 GLU A 54 12.151 8.669 7.431 1.00 0.00 H new ATOM 783 N PRO A 55 7.108 9.104 8.106 1.00 0.00 N ATOM 784 CA PRO A 55 5.819 9.568 8.628 1.00 0.00 C ATOM 785 C PRO A 55 5.934 10.137 10.037 1.00 0.00 C ATOM 786 O PRO A 55 5.962 9.394 11.017 1.00 0.00 O ATOM 787 CB PRO A 55 4.961 8.299 8.632 1.00 0.00 C ATOM 788 CG PRO A 55 5.941 7.181 8.732 1.00 0.00 C ATOM 789 CD PRO A 55 7.167 7.638 7.994 1.00 0.00 C ATOM 0 HA PRO A 55 5.405 10.378 8.028 1.00 0.00 H new ATOM 0 HB2 PRO A 55 4.266 8.293 9.472 1.00 0.00 H new ATOM 0 HB3 PRO A 55 4.363 8.222 7.724 1.00 0.00 H new ATOM 0 HG2 PRO A 55 6.173 6.958 9.773 1.00 0.00 H new ATOM 0 HG3 PRO A 55 5.538 6.269 8.292 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.077 7.238 8.441 1.00 0.00 H new ATOM 0 HD3 PRO A 55 7.153 7.314 6.953 1.00 0.00 H new ATOM 797 N SER A 56 6.002 11.462 10.132 1.00 0.00 N ATOM 798 CA SER A 56 6.118 12.131 11.422 1.00 0.00 C ATOM 799 C SER A 56 4.807 12.815 11.800 1.00 0.00 C ATOM 800 O SER A 56 4.591 13.166 12.959 1.00 0.00 O ATOM 801 CB SER A 56 7.250 13.158 11.387 1.00 0.00 C ATOM 802 OG SER A 56 7.743 13.420 12.689 1.00 0.00 O ATOM 0 H SER A 56 5.979 12.093 9.331 1.00 0.00 H new ATOM 0 HA SER A 56 6.344 11.377 12.175 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.059 12.790 10.756 1.00 0.00 H new ATOM 0 HB3 SER A 56 6.891 14.084 10.938 1.00 0.00 H new ATOM 0 HG SER A 56 8.467 14.079 12.638 1.00 0.00 H new ATOM 808 N GLU A 57 3.936 12.998 10.812 1.00 0.00 N ATOM 809 CA GLU A 57 2.647 13.640 11.040 1.00 0.00 C ATOM 810 C GLU A 57 1.503 12.651 10.833 1.00 0.00 C ATOM 811 O GLU A 57 0.485 12.710 11.523 1.00 0.00 O ATOM 812 CB GLU A 57 2.477 14.838 10.105 1.00 0.00 C ATOM 813 CG GLU A 57 3.534 15.913 10.294 1.00 0.00 C ATOM 814 CD GLU A 57 3.706 16.313 11.745 1.00 0.00 C ATOM 815 OE1 GLU A 57 2.693 16.356 12.475 1.00 0.00 O ATOM 816 OE2 GLU A 57 4.855 16.584 12.153 1.00 0.00 O ATOM 0 H GLU A 57 4.100 12.711 9.847 1.00 0.00 H new ATOM 0 HA GLU A 57 2.620 13.988 12.072 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.506 14.489 9.073 1.00 0.00 H new ATOM 0 HB3 GLU A 57 1.492 15.277 10.266 1.00 0.00 H new ATOM 0 HG2 GLU A 57 4.486 15.553 9.905 1.00 0.00 H new ATOM 0 HG3 GLU A 57 3.262 16.791 9.709 1.00 0.00 H new ATOM 823 N LEU A 58 1.678 11.746 9.878 1.00 0.00 N ATOM 824 CA LEU A 58 0.661 10.744 9.579 1.00 0.00 C ATOM 825 C LEU A 58 0.247 9.994 10.840 1.00 0.00 C ATOM 826 O LEU A 58 -0.911 9.605 10.990 1.00 0.00 O ATOM 827 CB LEU A 58 1.182 9.757 8.531 1.00 0.00 C ATOM 828 CG LEU A 58 1.095 10.215 7.075 1.00 0.00 C ATOM 829 CD1 LEU A 58 2.019 11.398 6.832 1.00 0.00 C ATOM 830 CD2 LEU A 58 1.434 9.068 6.134 1.00 0.00 C ATOM 0 H LEU A 58 2.514 11.685 9.297 1.00 0.00 H new ATOM 0 HA LEU A 58 -0.214 11.258 9.182 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.224 9.533 8.759 1.00 0.00 H new ATOM 0 HB3 LEU A 58 0.626 8.825 8.631 1.00 0.00 H new ATOM 0 HG LEU A 58 0.072 10.532 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 58 1.944 11.710 5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 58 1.730 12.225 7.481 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.047 11.108 7.051 1.00 0.00 H new ATOM 0 HD21 LEU A 58 1.367 9.412 5.102 1.00 0.00 H new ATOM 0 HD22 LEU A 58 2.447 8.720 6.335 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.731 8.250 6.290 1.00 0.00 H new ATOM 842 N GLN A 59 1.201 9.795 11.744 1.00 0.00 N ATOM 843 CA GLN A 59 0.934 9.093 12.994 1.00 0.00 C ATOM 844 C GLN A 59 -0.277 9.687 13.704 1.00 0.00 C ATOM 845 O GLN A 59 -1.086 8.963 14.283 1.00 0.00 O ATOM 846 CB GLN A 59 2.158 9.154 13.909 1.00 0.00 C ATOM 847 CG GLN A 59 2.322 10.489 14.618 1.00 0.00 C ATOM 848 CD GLN A 59 3.367 10.443 15.715 1.00 0.00 C ATOM 849 OE1 GLN A 59 3.133 10.909 16.831 1.00 0.00 O ATOM 850 NE2 GLN A 59 4.528 9.878 15.405 1.00 0.00 N ATOM 0 H GLN A 59 2.165 10.110 11.634 1.00 0.00 H new ATOM 0 HA GLN A 59 0.718 8.051 12.757 1.00 0.00 H new ATOM 0 HB2 GLN A 59 2.083 8.363 14.655 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.052 8.953 13.319 1.00 0.00 H new ATOM 0 HG2 GLN A 59 2.599 11.251 13.890 1.00 0.00 H new ATOM 0 HG3 GLN A 59 1.365 10.789 15.045 1.00 0.00 H new ATOM 0 HE21 GLN A 59 4.679 9.505 14.468 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.268 9.817 16.104 1.00 0.00 H new ATOM 859 N GLY A 60 -0.396 11.010 13.656 1.00 0.00 N ATOM 860 CA GLY A 60 -1.511 11.680 14.299 1.00 0.00 C ATOM 861 C GLY A 60 -2.624 12.016 13.328 1.00 0.00 C ATOM 862 O GLY A 60 -3.804 11.897 13.657 1.00 0.00 O ATOM 0 H GLY A 60 0.261 11.630 13.183 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -1.905 11.044 15.092 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -1.157 12.596 14.772 1.00 0.00 H new ATOM 866 N LEU A 61 -2.249 12.440 12.126 1.00 0.00 N ATOM 867 CA LEU A 61 -3.224 12.798 11.101 1.00 0.00 C ATOM 868 C LEU A 61 -4.401 11.828 11.107 1.00 0.00 C ATOM 869 O LEU A 61 -4.302 10.718 11.628 1.00 0.00 O ATOM 870 CB LEU A 61 -2.565 12.809 9.721 1.00 0.00 C ATOM 871 CG LEU A 61 -1.559 13.934 9.468 1.00 0.00 C ATOM 872 CD1 LEU A 61 -0.819 13.701 8.159 1.00 0.00 C ATOM 873 CD2 LEU A 61 -2.261 15.284 9.453 1.00 0.00 C ATOM 0 H LEU A 61 -1.276 12.544 11.837 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.598 13.797 11.325 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -2.058 11.855 9.575 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.349 12.873 8.966 1.00 0.00 H new ATOM 0 HG LEU A 61 -0.831 13.935 10.279 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.107 14.510 7.994 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.285 12.752 8.207 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.534 13.674 7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.530 16.072 9.272 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -3.011 15.295 8.662 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.746 15.453 10.415 1.00 0.00 H new ATOM 885 N GLY A 62 -5.517 12.253 10.522 1.00 0.00 N ATOM 886 CA GLY A 62 -6.695 11.409 10.469 1.00 0.00 C ATOM 887 C GLY A 62 -6.507 10.206 9.566 1.00 0.00 C ATOM 888 O GLY A 62 -5.474 10.070 8.911 1.00 0.00 O ATOM 0 H GLY A 62 -5.625 13.168 10.084 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -6.940 11.069 11.475 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.543 11.996 10.115 1.00 0.00 H new ATOM 892 N ALA A 63 -7.508 9.332 9.531 1.00 0.00 N ATOM 893 CA ALA A 63 -7.448 8.136 8.701 1.00 0.00 C ATOM 894 C ALA A 63 -7.284 8.495 7.228 1.00 0.00 C ATOM 895 O ALA A 63 -6.537 7.843 6.499 1.00 0.00 O ATOM 896 CB ALA A 63 -8.696 7.290 8.903 1.00 0.00 C ATOM 0 H ALA A 63 -8.370 9.430 10.068 1.00 0.00 H new ATOM 0 HA ALA A 63 -6.576 7.558 9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -8.637 6.400 8.277 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -8.769 6.993 9.949 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -9.577 7.870 8.628 1.00 0.00 H new ATOM 902 N LEU A 64 -7.986 9.538 6.798 1.00 0.00 N ATOM 903 CA LEU A 64 -7.919 9.985 5.410 1.00 0.00 C ATOM 904 C LEU A 64 -6.631 10.760 5.151 1.00 0.00 C ATOM 905 O LEU A 64 -5.902 10.470 4.203 1.00 0.00 O ATOM 906 CB LEU A 64 -9.130 10.857 5.076 1.00 0.00 C ATOM 907 CG LEU A 64 -9.641 10.772 3.638 1.00 0.00 C ATOM 908 CD1 LEU A 64 -9.913 9.326 3.253 1.00 0.00 C ATOM 909 CD2 LEU A 64 -10.897 11.615 3.467 1.00 0.00 C ATOM 0 H LEU A 64 -8.608 10.090 7.389 1.00 0.00 H new ATOM 0 HA LEU A 64 -7.927 9.104 4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -9.945 10.585 5.747 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.875 11.895 5.289 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.870 11.165 2.975 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.276 9.285 2.226 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -8.993 8.748 3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -10.666 8.907 3.921 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -11.247 11.542 2.437 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -11.673 11.252 4.140 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -10.672 12.655 3.701 1.00 0.00 H new ATOM 921 N GLU A 65 -6.358 11.746 6.000 1.00 0.00 N ATOM 922 CA GLU A 65 -5.158 12.563 5.862 1.00 0.00 C ATOM 923 C GLU A 65 -3.956 11.702 5.484 1.00 0.00 C ATOM 924 O GLU A 65 -3.061 12.148 4.766 1.00 0.00 O ATOM 925 CB GLU A 65 -4.873 13.313 7.164 1.00 0.00 C ATOM 926 CG GLU A 65 -5.716 14.565 7.342 1.00 0.00 C ATOM 927 CD GLU A 65 -5.247 15.714 6.471 1.00 0.00 C ATOM 928 OE1 GLU A 65 -4.876 15.461 5.306 1.00 0.00 O ATOM 929 OE2 GLU A 65 -5.251 16.865 6.954 1.00 0.00 O ATOM 0 H GLU A 65 -6.951 11.998 6.790 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.330 13.287 5.065 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -5.050 12.643 8.006 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -3.819 13.588 7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.755 14.335 7.105 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -5.688 14.872 8.388 1.00 0.00 H new ATOM 936 N ALA A 66 -3.942 10.467 5.973 1.00 0.00 N ATOM 937 CA ALA A 66 -2.852 9.543 5.686 1.00 0.00 C ATOM 938 C ALA A 66 -2.845 9.143 4.215 1.00 0.00 C ATOM 939 O ALA A 66 -1.964 9.548 3.454 1.00 0.00 O ATOM 940 CB ALA A 66 -2.960 8.309 6.569 1.00 0.00 C ATOM 0 H ALA A 66 -4.674 10.083 6.570 1.00 0.00 H new ATOM 0 HA ALA A 66 -1.912 10.051 5.903 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -2.140 7.628 6.344 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -2.908 8.606 7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -3.910 7.808 6.380 1.00 0.00 H new ATOM 946 N THR A 67 -3.831 8.345 3.818 1.00 0.00 N ATOM 947 CA THR A 67 -3.936 7.888 2.437 1.00 0.00 C ATOM 948 C THR A 67 -3.548 8.993 1.461 1.00 0.00 C ATOM 949 O THR A 67 -2.959 8.731 0.414 1.00 0.00 O ATOM 950 CB THR A 67 -5.363 7.410 2.112 1.00 0.00 C ATOM 951 OG1 THR A 67 -5.764 6.396 3.041 1.00 0.00 O ATOM 952 CG2 THR A 67 -5.440 6.865 0.693 1.00 0.00 C ATOM 0 H THR A 67 -4.569 8.001 4.433 1.00 0.00 H new ATOM 0 HA THR A 67 -3.246 7.051 2.327 1.00 0.00 H new ATOM 0 HB THR A 67 -6.036 8.263 2.194 1.00 0.00 H new ATOM 0 HG1 THR A 67 -6.673 6.099 2.828 1.00 0.00 H new ATOM 0 HG21 THR A 67 -6.457 6.533 0.485 1.00 0.00 H new ATOM 0 HG22 THR A 67 -5.162 7.648 -0.013 1.00 0.00 H new ATOM 0 HG23 THR A 67 -4.755 6.023 0.589 1.00 0.00 H new ATOM 960 N ALA A 68 -3.880 10.231 1.814 1.00 0.00 N ATOM 961 CA ALA A 68 -3.563 11.377 0.971 1.00 0.00 C ATOM 962 C ALA A 68 -2.084 11.395 0.601 1.00 0.00 C ATOM 963 O ALA A 68 -1.729 11.466 -0.576 1.00 0.00 O ATOM 964 CB ALA A 68 -3.949 12.671 1.670 1.00 0.00 C ATOM 0 H ALA A 68 -4.368 10.465 2.678 1.00 0.00 H new ATOM 0 HA ALA A 68 -4.140 11.288 0.051 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -3.706 13.518 1.028 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.019 12.668 1.877 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -3.399 12.757 2.607 1.00 0.00 H new ATOM 970 N TRP A 69 -1.226 11.328 1.612 1.00 0.00 N ATOM 971 CA TRP A 69 0.217 11.337 1.393 1.00 0.00 C ATOM 972 C TRP A 69 0.644 10.149 0.538 1.00 0.00 C ATOM 973 O TRP A 69 1.212 10.320 -0.540 1.00 0.00 O ATOM 974 CB TRP A 69 0.957 11.312 2.731 1.00 0.00 C ATOM 975 CG TRP A 69 2.442 11.172 2.585 1.00 0.00 C ATOM 976 CD1 TRP A 69 3.354 12.183 2.472 1.00 0.00 C ATOM 977 CD2 TRP A 69 3.186 9.950 2.536 1.00 0.00 C ATOM 978 NE1 TRP A 69 4.620 11.661 2.355 1.00 0.00 N ATOM 979 CE2 TRP A 69 4.544 10.295 2.391 1.00 0.00 C ATOM 980 CE3 TRP A 69 2.838 8.598 2.600 1.00 0.00 C ATOM 981 CZ2 TRP A 69 5.551 9.336 2.311 1.00 0.00 C ATOM 982 CZ3 TRP A 69 3.838 7.648 2.520 1.00 0.00 C ATOM 983 CH2 TRP A 69 5.181 8.020 2.377 1.00 0.00 C ATOM 0 H TRP A 69 -1.503 11.267 2.592 1.00 0.00 H new ATOM 0 HA TRP A 69 0.474 12.254 0.862 1.00 0.00 H new ATOM 0 HB2 TRP A 69 0.738 12.230 3.277 1.00 0.00 H new ATOM 0 HB3 TRP A 69 0.579 10.485 3.332 1.00 0.00 H new ATOM 0 HD1 TRP A 69 3.115 13.236 2.474 1.00 0.00 H new ATOM 0 HE1 TRP A 69 5.478 12.204 2.257 1.00 0.00 H new ATOM 0 HE3 TRP A 69 1.805 8.301 2.710 1.00 0.00 H new ATOM 0 HZ2 TRP A 69 6.587 9.621 2.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 69 3.580 6.600 2.569 1.00 0.00 H new ATOM 0 HH2 TRP A 69 5.939 7.253 2.318 1.00 0.00 H new ATOM 994 N ALA A 70 0.368 8.945 1.028 1.00 0.00 N ATOM 995 CA ALA A 70 0.723 7.728 0.307 1.00 0.00 C ATOM 996 C ALA A 70 0.414 7.860 -1.180 1.00 0.00 C ATOM 997 O ALA A 70 1.299 7.716 -2.024 1.00 0.00 O ATOM 998 CB ALA A 70 -0.010 6.532 0.897 1.00 0.00 C ATOM 0 H ALA A 70 -0.100 8.786 1.920 1.00 0.00 H new ATOM 0 HA ALA A 70 1.796 7.572 0.415 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.264 5.631 0.349 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.265 6.417 1.945 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.086 6.690 0.820 1.00 0.00 H new ATOM 1004 N LEU A 71 -0.846 8.134 -1.494 1.00 0.00 N ATOM 1005 CA LEU A 71 -1.275 8.286 -2.880 1.00 0.00 C ATOM 1006 C LEU A 71 -0.418 9.319 -3.605 1.00 0.00 C ATOM 1007 O LEU A 71 -0.281 9.283 -4.828 1.00 0.00 O ATOM 1008 CB LEU A 71 -2.747 8.695 -2.940 1.00 0.00 C ATOM 1009 CG LEU A 71 -3.763 7.584 -2.670 1.00 0.00 C ATOM 1010 CD1 LEU A 71 -5.135 8.175 -2.386 1.00 0.00 C ATOM 1011 CD2 LEU A 71 -3.829 6.623 -3.849 1.00 0.00 C ATOM 0 H LEU A 71 -1.590 8.256 -0.807 1.00 0.00 H new ATOM 0 HA LEU A 71 -1.153 7.324 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.911 9.494 -2.217 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.948 9.112 -3.927 1.00 0.00 H new ATOM 0 HG LEU A 71 -3.439 7.027 -1.791 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -5.846 7.370 -2.196 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.078 8.823 -1.511 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.466 8.756 -3.247 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -4.557 5.839 -3.639 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -4.129 7.166 -4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.848 6.174 -4.008 1.00 0.00 H new ATOM 1023 N LYS A 72 0.159 10.242 -2.841 1.00 0.00 N ATOM 1024 CA LYS A 72 1.005 11.285 -3.407 1.00 0.00 C ATOM 1025 C LYS A 72 2.426 10.773 -3.626 1.00 0.00 C ATOM 1026 O LYS A 72 2.873 10.620 -4.763 1.00 0.00 O ATOM 1027 CB LYS A 72 1.027 12.508 -2.487 1.00 0.00 C ATOM 1028 CG LYS A 72 1.461 13.786 -3.185 1.00 0.00 C ATOM 1029 CD LYS A 72 2.010 14.801 -2.198 1.00 0.00 C ATOM 1030 CE LYS A 72 2.043 16.199 -2.796 1.00 0.00 C ATOM 1031 NZ LYS A 72 3.262 16.421 -3.622 1.00 0.00 N ATOM 0 H LYS A 72 0.055 10.288 -1.827 1.00 0.00 H new ATOM 0 HA LYS A 72 0.589 11.573 -4.372 1.00 0.00 H new ATOM 0 HB2 LYS A 72 0.032 12.654 -2.066 1.00 0.00 H new ATOM 0 HB3 LYS A 72 1.701 12.313 -1.653 1.00 0.00 H new ATOM 0 HG2 LYS A 72 2.221 13.554 -3.931 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.613 14.217 -3.718 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.395 14.804 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.016 14.509 -1.896 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.156 16.352 -3.410 1.00 0.00 H new ATOM 0 HE3 LYS A 72 2.008 16.937 -1.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.545 17.420 -3.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 4.034 15.821 -3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 3.059 16.178 -4.613 1.00 0.00 H new ATOM 1045 N VAL A 73 3.130 10.511 -2.530 1.00 0.00 N ATOM 1046 CA VAL A 73 4.499 10.015 -2.602 1.00 0.00 C ATOM 1047 C VAL A 73 4.601 8.820 -3.543 1.00 0.00 C ATOM 1048 O VAL A 73 5.680 8.504 -4.047 1.00 0.00 O ATOM 1049 CB VAL A 73 5.022 9.606 -1.211 1.00 0.00 C ATOM 1050 CG1 VAL A 73 6.298 8.788 -1.340 1.00 0.00 C ATOM 1051 CG2 VAL A 73 5.251 10.835 -0.346 1.00 0.00 C ATOM 0 H VAL A 73 2.775 10.634 -1.582 1.00 0.00 H new ATOM 0 HA VAL A 73 5.112 10.830 -2.987 1.00 0.00 H new ATOM 0 HB VAL A 73 4.269 8.985 -0.726 1.00 0.00 H new ATOM 0 HG11 VAL A 73 6.653 8.508 -0.348 1.00 0.00 H new ATOM 0 HG12 VAL A 73 6.096 7.888 -1.920 1.00 0.00 H new ATOM 0 HG13 VAL A 73 7.061 9.381 -1.844 1.00 0.00 H new ATOM 0 HG21 VAL A 73 5.620 10.528 0.632 1.00 0.00 H new ATOM 0 HG22 VAL A 73 5.985 11.484 -0.823 1.00 0.00 H new ATOM 0 HG23 VAL A 73 4.312 11.376 -0.226 1.00 0.00 H new ATOM 1061 N ALA A 74 3.473 8.158 -3.776 1.00 0.00 N ATOM 1062 CA ALA A 74 3.435 6.999 -4.660 1.00 0.00 C ATOM 1063 C ALA A 74 3.290 7.424 -6.116 1.00 0.00 C ATOM 1064 O ALA A 74 3.895 6.831 -7.008 1.00 0.00 O ATOM 1065 CB ALA A 74 2.298 6.070 -4.262 1.00 0.00 C ATOM 0 H ALA A 74 2.573 8.404 -3.365 1.00 0.00 H new ATOM 0 HA ALA A 74 4.379 6.464 -4.559 1.00 0.00 H new ATOM 0 HB1 ALA A 74 2.281 5.209 -4.930 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.447 5.731 -3.237 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.350 6.604 -4.334 1.00 0.00 H new ATOM 1071 N GLU A 75 2.482 8.454 -6.351 1.00 0.00 N ATOM 1072 CA GLU A 75 2.257 8.956 -7.700 1.00 0.00 C ATOM 1073 C GLU A 75 3.424 9.825 -8.160 1.00 0.00 C ATOM 1074 O GLU A 75 3.600 10.066 -9.353 1.00 0.00 O ATOM 1075 CB GLU A 75 0.955 9.759 -7.760 1.00 0.00 C ATOM 1076 CG GLU A 75 0.591 10.227 -9.159 1.00 0.00 C ATOM 1077 CD GLU A 75 1.288 11.517 -9.542 1.00 0.00 C ATOM 1078 OE1 GLU A 75 1.800 12.208 -8.636 1.00 0.00 O ATOM 1079 OE2 GLU A 75 1.322 11.837 -10.749 1.00 0.00 O ATOM 0 H GLU A 75 1.973 8.956 -5.624 1.00 0.00 H new ATOM 0 HA GLU A 75 2.178 8.099 -8.369 1.00 0.00 H new ATOM 0 HB2 GLU A 75 0.143 9.147 -7.368 1.00 0.00 H new ATOM 0 HB3 GLU A 75 1.043 10.627 -7.107 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.852 9.450 -9.877 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -0.488 10.369 -9.221 1.00 0.00 H new ATOM 1086 N ASN A 76 4.219 10.292 -7.203 1.00 0.00 N ATOM 1087 CA ASN A 76 5.369 11.136 -7.508 1.00 0.00 C ATOM 1088 C ASN A 76 6.640 10.301 -7.627 1.00 0.00 C ATOM 1089 O ASN A 76 7.241 10.217 -8.696 1.00 0.00 O ATOM 1090 CB ASN A 76 5.546 12.203 -6.426 1.00 0.00 C ATOM 1091 CG ASN A 76 4.558 13.345 -6.573 1.00 0.00 C ATOM 1092 OD1 ASN A 76 4.469 13.972 -7.628 1.00 0.00 O ATOM 1093 ND2 ASN A 76 3.809 13.618 -5.511 1.00 0.00 N ATOM 0 H ASN A 76 4.088 10.100 -6.210 1.00 0.00 H new ATOM 0 HA ASN A 76 5.186 11.625 -8.465 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.424 11.745 -5.444 1.00 0.00 H new ATOM 0 HB3 ASN A 76 6.561 12.597 -6.470 1.00 0.00 H new ATOM 0 HD21 ASN A 76 3.126 14.374 -5.550 1.00 0.00 H new ATOM 0 HD22 ASN A 76 3.917 13.071 -4.657 1.00 0.00 H new ATOM 1100 N GLU A 77 7.041 9.682 -6.520 1.00 0.00 N ATOM 1101 CA GLU A 77 8.240 8.853 -6.500 1.00 0.00 C ATOM 1102 C GLU A 77 7.986 7.513 -7.185 1.00 0.00 C ATOM 1103 O GLU A 77 8.519 7.243 -8.263 1.00 0.00 O ATOM 1104 CB GLU A 77 8.705 8.623 -5.061 1.00 0.00 C ATOM 1105 CG GLU A 77 9.707 9.656 -4.573 1.00 0.00 C ATOM 1106 CD GLU A 77 11.067 9.504 -5.225 1.00 0.00 C ATOM 1107 OE1 GLU A 77 11.134 9.527 -6.471 1.00 0.00 O ATOM 1108 OE2 GLU A 77 12.065 9.361 -4.488 1.00 0.00 O ATOM 0 H GLU A 77 6.553 9.739 -5.626 1.00 0.00 H new ATOM 0 HA GLU A 77 9.023 9.379 -7.047 1.00 0.00 H new ATOM 0 HB2 GLU A 77 7.837 8.631 -4.402 1.00 0.00 H new ATOM 0 HB3 GLU A 77 9.152 7.632 -4.987 1.00 0.00 H new ATOM 0 HG2 GLU A 77 9.321 10.655 -4.776 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.815 9.569 -3.492 1.00 0.00 H new ATOM 1115 N LEU A 78 7.171 6.678 -6.551 1.00 0.00 N ATOM 1116 CA LEU A 78 6.845 5.364 -7.098 1.00 0.00 C ATOM 1117 C LEU A 78 6.200 5.492 -8.473 1.00 0.00 C ATOM 1118 O LEU A 78 6.226 4.556 -9.272 1.00 0.00 O ATOM 1119 CB LEU A 78 5.910 4.613 -6.150 1.00 0.00 C ATOM 1120 CG LEU A 78 6.289 4.643 -4.668 1.00 0.00 C ATOM 1121 CD1 LEU A 78 5.356 3.755 -3.861 1.00 0.00 C ATOM 1122 CD2 LEU A 78 7.736 4.211 -4.479 1.00 0.00 C ATOM 0 H LEU A 78 6.724 6.886 -5.658 1.00 0.00 H new ATOM 0 HA LEU A 78 7.772 4.801 -7.204 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.908 5.028 -6.256 1.00 0.00 H new ATOM 0 HB3 LEU A 78 5.860 3.572 -6.470 1.00 0.00 H new ATOM 0 HG LEU A 78 6.186 5.666 -4.307 1.00 0.00 H new ATOM 0 HD11 LEU A 78 5.641 3.789 -2.809 1.00 0.00 H new ATOM 0 HD12 LEU A 78 4.331 4.109 -3.971 1.00 0.00 H new ATOM 0 HD13 LEU A 78 5.426 2.729 -4.223 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.988 4.238 -3.419 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.865 3.197 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 78 8.392 4.888 -5.026 1.00 0.00 H new ATOM 1134 N GLY A 79 5.621 6.657 -8.744 1.00 0.00 N ATOM 1135 CA GLY A 79 4.977 6.888 -10.025 1.00 0.00 C ATOM 1136 C GLY A 79 3.744 6.028 -10.217 1.00 0.00 C ATOM 1137 O GLY A 79 3.231 5.907 -11.329 1.00 0.00 O ATOM 0 H GLY A 79 5.586 7.446 -8.099 1.00 0.00 H new ATOM 0 HA2 GLY A 79 4.699 7.939 -10.104 1.00 0.00 H new ATOM 0 HA3 GLY A 79 5.687 6.685 -10.827 1.00 0.00 H new ATOM 1141 N ILE A 80 3.269 5.428 -9.130 1.00 0.00 N ATOM 1142 CA ILE A 80 2.088 4.576 -9.185 1.00 0.00 C ATOM 1143 C ILE A 80 0.811 5.407 -9.225 1.00 0.00 C ATOM 1144 O ILE A 80 0.229 5.724 -8.188 1.00 0.00 O ATOM 1145 CB ILE A 80 2.027 3.621 -7.977 1.00 0.00 C ATOM 1146 CG1 ILE A 80 3.278 2.741 -7.931 1.00 0.00 C ATOM 1147 CG2 ILE A 80 0.772 2.763 -8.043 1.00 0.00 C ATOM 1148 CD1 ILE A 80 3.233 1.575 -8.894 1.00 0.00 C ATOM 0 H ILE A 80 3.684 5.516 -8.202 1.00 0.00 H new ATOM 0 HA ILE A 80 2.165 3.989 -10.100 1.00 0.00 H new ATOM 0 HB ILE A 80 1.990 4.216 -7.064 1.00 0.00 H new ATOM 0 HG12 ILE A 80 4.151 3.353 -8.155 1.00 0.00 H new ATOM 0 HG13 ILE A 80 3.407 2.360 -6.918 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.743 2.094 -7.183 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.109 3.405 -8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.781 2.175 -8.961 1.00 0.00 H new ATOM 0 HD11 ILE A 80 4.152 0.995 -8.807 1.00 0.00 H new ATOM 0 HD12 ILE A 80 2.379 0.940 -8.657 1.00 0.00 H new ATOM 0 HD13 ILE A 80 3.135 1.949 -9.913 1.00 0.00 H new ATOM 1160 N THR A 81 0.376 5.757 -10.432 1.00 0.00 N ATOM 1161 CA THR A 81 -0.833 6.551 -10.610 1.00 0.00 C ATOM 1162 C THR A 81 -1.946 6.071 -9.685 1.00 0.00 C ATOM 1163 O THR A 81 -2.213 4.876 -9.564 1.00 0.00 O ATOM 1164 CB THR A 81 -1.332 6.496 -12.065 1.00 0.00 C ATOM 1165 OG1 THR A 81 -0.345 7.051 -12.943 1.00 0.00 O ATOM 1166 CG2 THR A 81 -2.640 7.259 -12.219 1.00 0.00 C ATOM 0 H THR A 81 0.844 5.502 -11.302 1.00 0.00 H new ATOM 0 HA THR A 81 -0.575 7.580 -10.361 1.00 0.00 H new ATOM 0 HB THR A 81 -1.506 5.452 -12.326 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.669 7.011 -13.867 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.972 7.206 -13.256 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.397 6.817 -11.572 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.488 8.302 -11.940 1.00 0.00 H new ATOM 1174 N PRO A 82 -2.612 7.025 -9.016 1.00 0.00 N ATOM 1175 CA PRO A 82 -3.708 6.723 -8.091 1.00 0.00 C ATOM 1176 C PRO A 82 -4.954 6.220 -8.812 1.00 0.00 C ATOM 1177 O PRO A 82 -5.701 7.003 -9.401 1.00 0.00 O ATOM 1178 CB PRO A 82 -3.986 8.070 -7.419 1.00 0.00 C ATOM 1179 CG PRO A 82 -3.520 9.087 -8.402 1.00 0.00 C ATOM 1180 CD PRO A 82 -2.347 8.470 -9.112 1.00 0.00 C ATOM 0 HA PRO A 82 -3.444 5.929 -7.393 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -5.046 8.190 -7.197 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.451 8.159 -6.474 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -4.313 9.341 -9.106 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.231 10.011 -7.901 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.286 8.799 -10.149 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -1.403 8.738 -8.637 1.00 0.00 H new ATOM 1188 N VAL A 83 -5.175 4.911 -8.763 1.00 0.00 N ATOM 1189 CA VAL A 83 -6.331 4.305 -9.411 1.00 0.00 C ATOM 1190 C VAL A 83 -7.599 4.528 -8.593 1.00 0.00 C ATOM 1191 O VAL A 83 -8.693 4.641 -9.143 1.00 0.00 O ATOM 1192 CB VAL A 83 -6.129 2.792 -9.620 1.00 0.00 C ATOM 1193 CG1 VAL A 83 -6.491 2.025 -8.357 1.00 0.00 C ATOM 1194 CG2 VAL A 83 -6.950 2.303 -10.803 1.00 0.00 C ATOM 0 H VAL A 83 -4.568 4.249 -8.280 1.00 0.00 H new ATOM 0 HA VAL A 83 -6.438 4.788 -10.382 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.076 2.611 -9.838 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -6.342 0.958 -8.524 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.856 2.356 -7.536 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -7.535 2.210 -8.105 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -6.795 1.232 -10.936 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -8.007 2.496 -10.617 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -6.638 2.829 -11.705 1.00 0.00 H new ATOM 1204 N VAL A 84 -7.443 4.592 -7.274 1.00 0.00 N ATOM 1205 CA VAL A 84 -8.574 4.804 -6.379 1.00 0.00 C ATOM 1206 C VAL A 84 -8.432 6.116 -5.616 1.00 0.00 C ATOM 1207 O VAL A 84 -7.322 6.556 -5.319 1.00 0.00 O ATOM 1208 CB VAL A 84 -8.716 3.649 -5.372 1.00 0.00 C ATOM 1209 CG1 VAL A 84 -9.827 3.943 -4.374 1.00 0.00 C ATOM 1210 CG2 VAL A 84 -8.975 2.337 -6.098 1.00 0.00 C ATOM 0 H VAL A 84 -6.544 4.500 -6.802 1.00 0.00 H new ATOM 0 HA VAL A 84 -9.468 4.845 -7.002 1.00 0.00 H new ATOM 0 HB VAL A 84 -7.780 3.555 -4.821 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -9.912 3.115 -3.670 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -9.595 4.859 -3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -10.771 4.066 -4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -9.073 1.532 -5.370 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -9.895 2.417 -6.677 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -8.143 2.122 -6.768 1.00 0.00 H new ATOM 1220 N SER A 85 -9.565 6.736 -5.300 1.00 0.00 N ATOM 1221 CA SER A 85 -9.568 8.000 -4.574 1.00 0.00 C ATOM 1222 C SER A 85 -9.378 7.767 -3.078 1.00 0.00 C ATOM 1223 O SER A 85 -10.072 6.951 -2.473 1.00 0.00 O ATOM 1224 CB SER A 85 -10.876 8.752 -4.821 1.00 0.00 C ATOM 1225 OG SER A 85 -10.982 9.160 -6.175 1.00 0.00 O ATOM 0 H SER A 85 -10.492 6.383 -5.536 1.00 0.00 H new ATOM 0 HA SER A 85 -8.736 8.602 -4.940 1.00 0.00 H new ATOM 0 HB2 SER A 85 -11.721 8.113 -4.563 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.926 9.625 -4.170 1.00 0.00 H new ATOM 0 HG SER A 85 -11.828 9.637 -6.308 1.00 0.00 H new ATOM 1231 N ALA A 86 -8.432 8.490 -2.488 1.00 0.00 N ATOM 1232 CA ALA A 86 -8.151 8.365 -1.063 1.00 0.00 C ATOM 1233 C ALA A 86 -9.435 8.162 -0.266 1.00 0.00 C ATOM 1234 O ALA A 86 -9.433 7.504 0.774 1.00 0.00 O ATOM 1235 CB ALA A 86 -7.405 9.592 -0.561 1.00 0.00 C ATOM 0 H ALA A 86 -7.847 9.169 -2.975 1.00 0.00 H new ATOM 0 HA ALA A 86 -7.521 7.487 -0.919 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.202 9.484 0.505 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.464 9.692 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -8.014 10.481 -0.726 1.00 0.00 H new ATOM 1241 N GLN A 87 -10.529 8.731 -0.761 1.00 0.00 N ATOM 1242 CA GLN A 87 -11.820 8.612 -0.093 1.00 0.00 C ATOM 1243 C GLN A 87 -12.364 7.192 -0.208 1.00 0.00 C ATOM 1244 O GLN A 87 -12.713 6.568 0.795 1.00 0.00 O ATOM 1245 CB GLN A 87 -12.820 9.603 -0.691 1.00 0.00 C ATOM 1246 CG GLN A 87 -14.050 9.825 0.176 1.00 0.00 C ATOM 1247 CD GLN A 87 -13.822 10.864 1.256 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -13.615 12.043 0.967 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -13.859 10.430 2.511 1.00 0.00 N ATOM 0 H GLN A 87 -10.548 9.279 -1.621 1.00 0.00 H new ATOM 0 HA GLN A 87 -11.677 8.842 0.963 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -12.321 10.559 -0.850 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -13.136 9.242 -1.670 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -14.882 10.138 -0.454 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -14.338 8.882 0.640 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -14.034 9.444 2.705 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -13.713 11.083 3.281 1.00 0.00 H new ATOM 1258 N ALA A 88 -12.434 6.688 -1.435 1.00 0.00 N ATOM 1259 CA ALA A 88 -12.934 5.340 -1.679 1.00 0.00 C ATOM 1260 C ALA A 88 -12.161 4.311 -0.861 1.00 0.00 C ATOM 1261 O ALA A 88 -12.749 3.406 -0.268 1.00 0.00 O ATOM 1262 CB ALA A 88 -12.851 5.008 -3.162 1.00 0.00 C ATOM 0 H ALA A 88 -12.151 7.192 -2.275 1.00 0.00 H new ATOM 0 HA ALA A 88 -13.978 5.304 -1.367 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -13.227 3.999 -3.331 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -13.453 5.719 -3.728 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -11.813 5.068 -3.491 1.00 0.00 H new ATOM 1268 N VAL A 89 -10.840 4.455 -0.833 1.00 0.00 N ATOM 1269 CA VAL A 89 -9.987 3.538 -0.087 1.00 0.00 C ATOM 1270 C VAL A 89 -10.481 3.370 1.346 1.00 0.00 C ATOM 1271 O VAL A 89 -10.719 2.253 1.806 1.00 0.00 O ATOM 1272 CB VAL A 89 -8.526 4.025 -0.060 1.00 0.00 C ATOM 1273 CG1 VAL A 89 -7.676 3.117 0.815 1.00 0.00 C ATOM 1274 CG2 VAL A 89 -7.964 4.098 -1.472 1.00 0.00 C ATOM 0 H VAL A 89 -10.337 5.198 -1.318 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.032 2.577 -0.600 1.00 0.00 H new ATOM 0 HB VAL A 89 -8.503 5.027 0.369 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -6.647 3.477 0.822 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -8.068 3.120 1.832 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -7.702 2.102 0.419 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -6.931 4.444 -1.435 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -8.000 3.109 -1.929 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -8.558 4.793 -2.065 1.00 0.00 H new ATOM 1284 N VAL A 90 -10.635 4.489 2.048 1.00 0.00 N ATOM 1285 CA VAL A 90 -11.102 4.466 3.429 1.00 0.00 C ATOM 1286 C VAL A 90 -12.569 4.060 3.505 1.00 0.00 C ATOM 1287 O VAL A 90 -12.930 3.136 4.234 1.00 0.00 O ATOM 1288 CB VAL A 90 -10.925 5.840 4.103 1.00 0.00 C ATOM 1289 CG1 VAL A 90 -11.399 5.790 5.547 1.00 0.00 C ATOM 1290 CG2 VAL A 90 -9.474 6.289 4.025 1.00 0.00 C ATOM 0 H VAL A 90 -10.443 5.422 1.683 1.00 0.00 H new ATOM 0 HA VAL A 90 -10.496 3.730 3.957 1.00 0.00 H new ATOM 0 HB VAL A 90 -11.535 6.569 3.570 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -11.267 6.769 6.008 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -12.454 5.516 5.574 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -10.817 5.049 6.096 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -9.368 7.261 4.506 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -8.840 5.562 4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -9.173 6.366 2.980 1.00 0.00 H new ATOM 1300 N ALA A 91 -13.411 4.756 2.749 1.00 0.00 N ATOM 1301 CA ALA A 91 -14.839 4.465 2.729 1.00 0.00 C ATOM 1302 C ALA A 91 -15.096 2.994 2.423 1.00 0.00 C ATOM 1303 O ALA A 91 -16.200 2.492 2.627 1.00 0.00 O ATOM 1304 CB ALA A 91 -15.543 5.350 1.709 1.00 0.00 C ATOM 0 H ALA A 91 -13.129 5.526 2.142 1.00 0.00 H new ATOM 0 HA ALA A 91 -15.242 4.678 3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -16.609 5.123 1.704 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -15.397 6.397 1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -15.128 5.165 0.718 1.00 0.00 H new ATOM 1310 N GLY A 92 -14.068 2.308 1.931 1.00 0.00 N ATOM 1311 CA GLY A 92 -14.204 0.901 1.604 1.00 0.00 C ATOM 1312 C GLY A 92 -15.400 0.625 0.713 1.00 0.00 C ATOM 1313 O GLY A 92 -15.850 -0.515 0.601 1.00 0.00 O ATOM 0 H GLY A 92 -13.144 2.702 1.753 1.00 0.00 H new ATOM 0 HA2 GLY A 92 -13.297 0.558 1.106 1.00 0.00 H new ATOM 0 HA3 GLY A 92 -14.300 0.325 2.524 1.00 0.00 H new ATOM 1317 N SER A 93 -15.915 1.673 0.078 1.00 0.00 N ATOM 1318 CA SER A 93 -17.070 1.540 -0.804 1.00 0.00 C ATOM 1319 C SER A 93 -16.674 0.878 -2.120 1.00 0.00 C ATOM 1320 O SER A 93 -17.508 0.286 -2.806 1.00 0.00 O ATOM 1321 CB SER A 93 -17.692 2.911 -1.075 1.00 0.00 C ATOM 1322 OG SER A 93 -17.870 3.637 0.128 1.00 0.00 O ATOM 0 H SER A 93 -15.552 2.623 0.157 1.00 0.00 H new ATOM 0 HA SER A 93 -17.806 0.908 -0.307 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.053 3.476 -1.753 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.653 2.786 -1.573 1.00 0.00 H new ATOM 0 HG SER A 93 -18.267 4.510 -0.073 1.00 0.00 H new ATOM 1328 N ASP A 94 -15.396 0.984 -2.468 1.00 0.00 N ATOM 1329 CA ASP A 94 -14.887 0.395 -3.701 1.00 0.00 C ATOM 1330 C ASP A 94 -13.709 -0.531 -3.416 1.00 0.00 C ATOM 1331 O ASP A 94 -12.546 -0.136 -3.488 1.00 0.00 O ATOM 1332 CB ASP A 94 -14.464 1.494 -4.678 1.00 0.00 C ATOM 1333 CG ASP A 94 -15.484 2.611 -4.770 1.00 0.00 C ATOM 1334 OD1 ASP A 94 -16.682 2.340 -4.549 1.00 0.00 O ATOM 1335 OD2 ASP A 94 -15.083 3.758 -5.063 1.00 0.00 O ATOM 0 H ASP A 94 -14.693 1.473 -1.913 1.00 0.00 H new ATOM 0 HA ASP A 94 -15.686 -0.194 -4.151 1.00 0.00 H new ATOM 0 HB2 ASP A 94 -13.505 1.906 -4.363 1.00 0.00 H new ATOM 0 HB3 ASP A 94 -14.315 1.060 -5.667 1.00 0.00 H new ATOM 1340 N PRO A 95 -14.016 -1.794 -3.083 1.00 0.00 N ATOM 1341 CA PRO A 95 -12.996 -2.803 -2.780 1.00 0.00 C ATOM 1342 C PRO A 95 -12.205 -3.217 -4.016 1.00 0.00 C ATOM 1343 O PRO A 95 -11.042 -3.611 -3.917 1.00 0.00 O ATOM 1344 CB PRO A 95 -13.813 -3.983 -2.248 1.00 0.00 C ATOM 1345 CG PRO A 95 -15.161 -3.817 -2.858 1.00 0.00 C ATOM 1346 CD PRO A 95 -15.381 -2.335 -2.978 1.00 0.00 C ATOM 0 HA PRO A 95 -12.250 -2.431 -2.077 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -13.365 -4.935 -2.532 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -13.867 -3.968 -1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -15.210 -4.299 -3.834 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -15.930 -4.277 -2.237 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -15.980 -2.088 -3.855 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -15.906 -1.935 -2.110 1.00 0.00 H new ATOM 1354 N LEU A 96 -12.841 -3.124 -5.179 1.00 0.00 N ATOM 1355 CA LEU A 96 -12.196 -3.488 -6.435 1.00 0.00 C ATOM 1356 C LEU A 96 -11.017 -2.566 -6.729 1.00 0.00 C ATOM 1357 O LEU A 96 -9.901 -3.025 -6.967 1.00 0.00 O ATOM 1358 CB LEU A 96 -13.203 -3.431 -7.585 1.00 0.00 C ATOM 1359 CG LEU A 96 -14.421 -4.346 -7.455 1.00 0.00 C ATOM 1360 CD1 LEU A 96 -15.565 -3.618 -6.767 1.00 0.00 C ATOM 1361 CD2 LEU A 96 -14.855 -4.851 -8.824 1.00 0.00 C ATOM 0 H LEU A 96 -13.803 -2.799 -5.278 1.00 0.00 H new ATOM 0 HA LEU A 96 -11.821 -4.507 -6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 96 -13.554 -2.404 -7.684 1.00 0.00 H new ATOM 0 HB3 LEU A 96 -12.683 -3.681 -8.510 1.00 0.00 H new ATOM 0 HG LEU A 96 -14.144 -5.204 -6.843 1.00 0.00 H new ATOM 0 HD11 LEU A 96 -16.423 -4.285 -6.684 1.00 0.00 H new ATOM 0 HD12 LEU A 96 -15.251 -3.305 -5.771 1.00 0.00 H new ATOM 0 HD13 LEU A 96 -15.843 -2.741 -7.352 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -15.723 -5.501 -8.714 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -15.114 -4.004 -9.459 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -14.039 -5.410 -9.281 1.00 0.00 H new ATOM 1373 N GLY A 97 -11.274 -1.262 -6.710 1.00 0.00 N ATOM 1374 CA GLY A 97 -10.225 -0.295 -6.974 1.00 0.00 C ATOM 1375 C GLY A 97 -8.978 -0.552 -6.152 1.00 0.00 C ATOM 1376 O GLY A 97 -7.899 -0.781 -6.699 1.00 0.00 O ATOM 0 H GLY A 97 -12.190 -0.858 -6.516 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -9.970 -0.321 -8.033 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -10.597 0.707 -6.760 1.00 0.00 H new ATOM 1380 N LEU A 98 -9.125 -0.515 -4.831 1.00 0.00 N ATOM 1381 CA LEU A 98 -8.002 -0.744 -3.929 1.00 0.00 C ATOM 1382 C LEU A 98 -7.187 -1.956 -4.372 1.00 0.00 C ATOM 1383 O LEU A 98 -5.989 -1.848 -4.632 1.00 0.00 O ATOM 1384 CB LEU A 98 -8.503 -0.946 -2.499 1.00 0.00 C ATOM 1385 CG LEU A 98 -7.433 -1.238 -1.447 1.00 0.00 C ATOM 1386 CD1 LEU A 98 -6.430 -0.097 -1.375 1.00 0.00 C ATOM 1387 CD2 LEU A 98 -8.072 -1.475 -0.087 1.00 0.00 C ATOM 0 H LEU A 98 -10.011 -0.329 -4.362 1.00 0.00 H new ATOM 0 HA LEU A 98 -7.358 0.135 -3.960 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -9.047 -0.051 -2.196 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -9.218 -1.769 -2.499 1.00 0.00 H new ATOM 0 HG LEU A 98 -6.902 -2.144 -1.739 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -5.676 -0.322 -0.621 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -5.948 0.025 -2.345 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -6.946 0.825 -1.108 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -7.295 -1.681 0.649 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -8.629 -0.588 0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -8.750 -2.326 -0.147 1.00 0.00 H new ATOM 1399 N ILE A 99 -7.847 -3.106 -4.457 1.00 0.00 N ATOM 1400 CA ILE A 99 -7.184 -4.336 -4.871 1.00 0.00 C ATOM 1401 C ILE A 99 -6.313 -4.105 -6.101 1.00 0.00 C ATOM 1402 O ILE A 99 -5.160 -4.530 -6.146 1.00 0.00 O ATOM 1403 CB ILE A 99 -8.204 -5.449 -5.179 1.00 0.00 C ATOM 1404 CG1 ILE A 99 -8.971 -5.833 -3.912 1.00 0.00 C ATOM 1405 CG2 ILE A 99 -7.502 -6.663 -5.770 1.00 0.00 C ATOM 1406 CD1 ILE A 99 -10.224 -6.635 -4.184 1.00 0.00 C ATOM 0 H ILE A 99 -8.839 -3.212 -4.245 1.00 0.00 H new ATOM 0 HA ILE A 99 -6.555 -4.651 -4.038 1.00 0.00 H new ATOM 0 HB ILE A 99 -8.918 -5.075 -5.913 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -8.315 -6.410 -3.260 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -9.240 -4.926 -3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -8.236 -7.440 -5.982 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -6.998 -6.378 -6.694 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -6.768 -7.041 -5.058 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -10.716 -6.872 -3.241 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -10.900 -6.053 -4.810 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -9.960 -7.559 -4.698 1.00 0.00 H new ATOM 1418 N ALA A 100 -6.874 -3.428 -7.098 1.00 0.00 N ATOM 1419 CA ALA A 100 -6.148 -3.136 -8.327 1.00 0.00 C ATOM 1420 C ALA A 100 -5.005 -2.161 -8.071 1.00 0.00 C ATOM 1421 O ALA A 100 -3.920 -2.297 -8.639 1.00 0.00 O ATOM 1422 CB ALA A 100 -7.095 -2.578 -9.379 1.00 0.00 C ATOM 0 H ALA A 100 -7.830 -3.072 -7.078 1.00 0.00 H new ATOM 0 HA ALA A 100 -5.720 -4.068 -8.697 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -6.539 -2.364 -10.292 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -7.875 -3.310 -9.591 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -7.551 -1.660 -9.008 1.00 0.00 H new ATOM 1428 N TYR A 101 -5.253 -1.178 -7.214 1.00 0.00 N ATOM 1429 CA TYR A 101 -4.244 -0.178 -6.885 1.00 0.00 C ATOM 1430 C TYR A 101 -2.976 -0.836 -6.350 1.00 0.00 C ATOM 1431 O TYR A 101 -1.875 -0.579 -6.837 1.00 0.00 O ATOM 1432 CB TYR A 101 -4.792 0.811 -5.853 1.00 0.00 C ATOM 1433 CG TYR A 101 -3.867 1.975 -5.578 1.00 0.00 C ATOM 1434 CD1 TYR A 101 -3.225 2.637 -6.617 1.00 0.00 C ATOM 1435 CD2 TYR A 101 -3.635 2.411 -4.280 1.00 0.00 C ATOM 1436 CE1 TYR A 101 -2.378 3.700 -6.371 1.00 0.00 C ATOM 1437 CE2 TYR A 101 -2.791 3.475 -4.024 1.00 0.00 C ATOM 1438 CZ TYR A 101 -2.165 4.116 -5.072 1.00 0.00 C ATOM 1439 OH TYR A 101 -1.322 5.175 -4.822 1.00 0.00 O ATOM 0 H TYR A 101 -6.144 -1.052 -6.734 1.00 0.00 H new ATOM 0 HA TYR A 101 -3.994 0.361 -7.799 1.00 0.00 H new ATOM 0 HB2 TYR A 101 -5.750 1.194 -6.203 1.00 0.00 H new ATOM 0 HB3 TYR A 101 -4.982 0.281 -4.920 1.00 0.00 H new ATOM 0 HD1 TYR A 101 -3.391 2.315 -7.634 1.00 0.00 H new ATOM 0 HD2 TYR A 101 -4.122 1.910 -3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 101 -1.885 4.203 -7.190 1.00 0.00 H new ATOM 0 HE2 TYR A 101 -2.623 3.803 -3.009 1.00 0.00 H new ATOM 0 HH TYR A 101 -1.339 5.793 -5.582 1.00 0.00 H new ATOM 1449 N LEU A 102 -3.141 -1.690 -5.345 1.00 0.00 N ATOM 1450 CA LEU A 102 -2.011 -2.390 -4.743 1.00 0.00 C ATOM 1451 C LEU A 102 -1.290 -3.250 -5.775 1.00 0.00 C ATOM 1452 O LEU A 102 -0.060 -3.260 -5.841 1.00 0.00 O ATOM 1453 CB LEU A 102 -2.487 -3.261 -3.579 1.00 0.00 C ATOM 1454 CG LEU A 102 -3.277 -2.544 -2.484 1.00 0.00 C ATOM 1455 CD1 LEU A 102 -3.764 -3.537 -1.440 1.00 0.00 C ATOM 1456 CD2 LEU A 102 -2.428 -1.460 -1.836 1.00 0.00 C ATOM 0 H LEU A 102 -4.046 -1.914 -4.930 1.00 0.00 H new ATOM 0 HA LEU A 102 -1.311 -1.643 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -3.107 -4.062 -3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -1.616 -3.730 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 102 -4.147 -2.072 -2.941 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -4.324 -3.009 -0.669 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -4.409 -4.277 -1.914 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -2.908 -4.038 -0.988 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -3.007 -0.960 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -1.539 -1.910 -1.394 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -2.129 -0.732 -2.590 1.00 0.00 H new ATOM 1468 N SER A 103 -2.063 -3.970 -6.582 1.00 0.00 N ATOM 1469 CA SER A 103 -1.498 -4.835 -7.611 1.00 0.00 C ATOM 1470 C SER A 103 -0.400 -4.113 -8.386 1.00 0.00 C ATOM 1471 O SER A 103 0.496 -4.743 -8.949 1.00 0.00 O ATOM 1472 CB SER A 103 -2.593 -5.302 -8.571 1.00 0.00 C ATOM 1473 OG SER A 103 -3.392 -6.313 -7.982 1.00 0.00 O ATOM 0 H SER A 103 -3.082 -3.971 -6.543 1.00 0.00 H new ATOM 0 HA SER A 103 -1.060 -5.704 -7.120 1.00 0.00 H new ATOM 0 HB2 SER A 103 -3.220 -4.456 -8.851 1.00 0.00 H new ATOM 0 HB3 SER A 103 -2.140 -5.680 -9.488 1.00 0.00 H new ATOM 0 HG SER A 103 -4.024 -5.906 -7.354 1.00 0.00 H new ATOM 1479 N HIS A 104 -0.476 -2.786 -8.409 1.00 0.00 N ATOM 1480 CA HIS A 104 0.511 -1.976 -9.113 1.00 0.00 C ATOM 1481 C HIS A 104 1.830 -1.938 -8.347 1.00 0.00 C ATOM 1482 O HIS A 104 2.905 -2.059 -8.933 1.00 0.00 O ATOM 1483 CB HIS A 104 -0.016 -0.555 -9.318 1.00 0.00 C ATOM 1484 CG HIS A 104 -1.192 -0.480 -10.241 1.00 0.00 C ATOM 1485 ND1 HIS A 104 -1.500 0.645 -10.978 1.00 0.00 N ATOM 1486 CD2 HIS A 104 -2.139 -1.398 -10.544 1.00 0.00 C ATOM 1487 CE1 HIS A 104 -2.587 0.415 -11.694 1.00 0.00 C ATOM 1488 NE2 HIS A 104 -2.994 -0.818 -11.449 1.00 0.00 N ATOM 0 H HIS A 104 -1.211 -2.249 -7.948 1.00 0.00 H new ATOM 0 HA HIS A 104 0.691 -2.432 -10.087 1.00 0.00 H new ATOM 0 HB2 HIS A 104 -0.296 -0.137 -8.351 1.00 0.00 H new ATOM 0 HB3 HIS A 104 0.786 0.068 -9.714 1.00 0.00 H new ATOM 0 HD2 HIS A 104 -2.209 -2.400 -10.148 1.00 0.00 H new ATOM 0 HE1 HIS A 104 -3.062 1.116 -12.365 1.00 0.00 H new ATOM 0 HE2 HIS A 104 -3.811 -1.266 -11.865 1.00 0.00 H new ATOM 1497 N PHE A 105 1.738 -1.767 -7.032 1.00 0.00 N ATOM 1498 CA PHE A 105 2.924 -1.710 -6.184 1.00 0.00 C ATOM 1499 C PHE A 105 3.703 -3.021 -6.251 1.00 0.00 C ATOM 1500 O PHE A 105 4.919 -3.024 -6.446 1.00 0.00 O ATOM 1501 CB PHE A 105 2.529 -1.411 -4.737 1.00 0.00 C ATOM 1502 CG PHE A 105 2.160 0.025 -4.501 1.00 0.00 C ATOM 1503 CD1 PHE A 105 1.028 0.569 -5.085 1.00 0.00 C ATOM 1504 CD2 PHE A 105 2.946 0.831 -3.693 1.00 0.00 C ATOM 1505 CE1 PHE A 105 0.686 1.891 -4.869 1.00 0.00 C ATOM 1506 CE2 PHE A 105 2.609 2.153 -3.473 1.00 0.00 C ATOM 1507 CZ PHE A 105 1.478 2.684 -4.063 1.00 0.00 C ATOM 0 H PHE A 105 0.856 -1.666 -6.531 1.00 0.00 H new ATOM 0 HA PHE A 105 3.564 -0.908 -6.551 1.00 0.00 H new ATOM 0 HB2 PHE A 105 1.686 -2.044 -4.461 1.00 0.00 H new ATOM 0 HB3 PHE A 105 3.357 -1.678 -4.080 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.405 -0.047 -5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 105 3.832 0.421 -3.230 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -0.200 2.303 -5.330 1.00 0.00 H new ATOM 0 HE2 PHE A 105 3.229 2.771 -2.840 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.214 3.718 -3.894 1.00 0.00 H new ATOM 1517 N HIS A 106 2.994 -4.133 -6.087 1.00 0.00 N ATOM 1518 CA HIS A 106 3.617 -5.451 -6.129 1.00 0.00 C ATOM 1519 C HIS A 106 4.188 -5.739 -7.514 1.00 0.00 C ATOM 1520 O HIS A 106 5.378 -6.017 -7.660 1.00 0.00 O ATOM 1521 CB HIS A 106 2.604 -6.530 -5.747 1.00 0.00 C ATOM 1522 CG HIS A 106 3.151 -7.922 -5.835 1.00 0.00 C ATOM 1523 ND1 HIS A 106 2.570 -8.912 -6.599 1.00 0.00 N ATOM 1524 CD2 HIS A 106 4.232 -8.487 -5.250 1.00 0.00 C ATOM 1525 CE1 HIS A 106 3.269 -10.025 -6.479 1.00 0.00 C ATOM 1526 NE2 HIS A 106 4.284 -9.795 -5.666 1.00 0.00 N ATOM 0 H HIS A 106 1.987 -4.148 -5.924 1.00 0.00 H new ATOM 0 HA HIS A 106 4.436 -5.461 -5.409 1.00 0.00 H new ATOM 0 HB2 HIS A 106 2.258 -6.348 -4.730 1.00 0.00 H new ATOM 0 HB3 HIS A 106 1.735 -6.448 -6.399 1.00 0.00 H new ATOM 0 HD2 HIS A 106 4.925 -8.000 -4.580 1.00 0.00 H new ATOM 0 HE1 HIS A 106 3.048 -10.965 -6.964 1.00 0.00 H new ATOM 0 HE2 HIS A 106 4.991 -10.477 -5.392 1.00 0.00 H new ATOM 1535 N SER A 107 3.332 -5.670 -8.528 1.00 0.00 N ATOM 1536 CA SER A 107 3.750 -5.927 -9.901 1.00 0.00 C ATOM 1537 C SER A 107 5.010 -5.139 -10.241 1.00 0.00 C ATOM 1538 O SER A 107 5.786 -5.534 -11.112 1.00 0.00 O ATOM 1539 CB SER A 107 2.628 -5.563 -10.874 1.00 0.00 C ATOM 1540 OG SER A 107 2.786 -6.238 -12.111 1.00 0.00 O ATOM 0 H SER A 107 2.344 -5.438 -8.425 1.00 0.00 H new ATOM 0 HA SER A 107 3.971 -6.990 -9.995 1.00 0.00 H new ATOM 0 HB2 SER A 107 1.664 -5.822 -10.436 1.00 0.00 H new ATOM 0 HB3 SER A 107 2.623 -4.486 -11.042 1.00 0.00 H new ATOM 0 HG SER A 107 2.055 -5.989 -12.715 1.00 0.00 H new ATOM 1546 N ALA A 108 5.207 -4.022 -9.549 1.00 0.00 N ATOM 1547 CA ALA A 108 6.374 -3.178 -9.776 1.00 0.00 C ATOM 1548 C ALA A 108 7.482 -3.492 -8.776 1.00 0.00 C ATOM 1549 O ALA A 108 8.665 -3.321 -9.071 1.00 0.00 O ATOM 1550 CB ALA A 108 5.987 -1.709 -9.694 1.00 0.00 C ATOM 0 H ALA A 108 4.574 -3.680 -8.826 1.00 0.00 H new ATOM 0 HA ALA A 108 6.754 -3.387 -10.776 1.00 0.00 H new ATOM 0 HB1 ALA A 108 6.868 -1.091 -9.865 1.00 0.00 H new ATOM 0 HB2 ALA A 108 5.235 -1.488 -10.452 1.00 0.00 H new ATOM 0 HB3 ALA A 108 5.580 -1.495 -8.706 1.00 0.00 H new ATOM 1556 N PHE A 109 7.090 -3.950 -7.592 1.00 0.00 N ATOM 1557 CA PHE A 109 8.050 -4.286 -6.546 1.00 0.00 C ATOM 1558 C PHE A 109 7.958 -5.764 -6.178 1.00 0.00 C ATOM 1559 O PHE A 109 8.018 -6.127 -5.003 1.00 0.00 O ATOM 1560 CB PHE A 109 7.809 -3.423 -5.306 1.00 0.00 C ATOM 1561 CG PHE A 109 8.307 -2.013 -5.451 1.00 0.00 C ATOM 1562 CD1 PHE A 109 7.595 -1.085 -6.194 1.00 0.00 C ATOM 1563 CD2 PHE A 109 9.489 -1.617 -4.844 1.00 0.00 C ATOM 1564 CE1 PHE A 109 8.050 0.212 -6.328 1.00 0.00 C ATOM 1565 CE2 PHE A 109 9.948 -0.320 -4.975 1.00 0.00 C ATOM 1566 CZ PHE A 109 9.229 0.595 -5.719 1.00 0.00 C ATOM 0 H PHE A 109 6.115 -4.097 -7.332 1.00 0.00 H new ATOM 0 HA PHE A 109 9.051 -4.087 -6.929 1.00 0.00 H new ATOM 0 HB2 PHE A 109 6.741 -3.402 -5.090 1.00 0.00 H new ATOM 0 HB3 PHE A 109 8.299 -3.887 -4.450 1.00 0.00 H new ATOM 0 HD1 PHE A 109 6.673 -1.379 -6.674 1.00 0.00 H new ATOM 0 HD2 PHE A 109 10.057 -2.329 -4.263 1.00 0.00 H new ATOM 0 HE1 PHE A 109 7.485 0.926 -6.908 1.00 0.00 H new ATOM 0 HE2 PHE A 109 10.869 -0.022 -4.496 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.588 1.608 -5.824 1.00 0.00 H new ATOM 1576 N LYS A 110 7.810 -6.612 -7.190 1.00 0.00 N ATOM 1577 CA LYS A 110 7.709 -8.051 -6.975 1.00 0.00 C ATOM 1578 C LYS A 110 8.993 -8.756 -7.402 1.00 0.00 C ATOM 1579 O LYS A 110 8.972 -9.635 -8.264 1.00 0.00 O ATOM 1580 CB LYS A 110 6.519 -8.621 -7.749 1.00 0.00 C ATOM 1581 CG LYS A 110 6.541 -8.287 -9.230 1.00 0.00 C ATOM 1582 CD LYS A 110 5.666 -9.239 -10.029 1.00 0.00 C ATOM 1583 CE LYS A 110 5.953 -9.142 -11.519 1.00 0.00 C ATOM 1584 NZ LYS A 110 7.075 -10.032 -11.927 1.00 0.00 N ATOM 0 H LYS A 110 7.757 -6.328 -8.168 1.00 0.00 H new ATOM 0 HA LYS A 110 7.557 -8.224 -5.910 1.00 0.00 H new ATOM 0 HB2 LYS A 110 6.504 -9.704 -7.630 1.00 0.00 H new ATOM 0 HB3 LYS A 110 5.596 -8.239 -7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 110 6.197 -7.264 -9.378 1.00 0.00 H new ATOM 0 HG3 LYS A 110 7.565 -8.335 -9.600 1.00 0.00 H new ATOM 0 HD2 LYS A 110 5.835 -10.261 -9.691 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.616 -9.012 -9.844 1.00 0.00 H new ATOM 0 HE2 LYS A 110 5.057 -9.408 -12.079 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.196 -8.111 -11.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 7.239 -9.937 -12.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 7.937 -9.763 -11.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 6.833 -11.019 -11.706 1.00 0.00 H new ATOM 1598 N SER A 111 10.108 -8.366 -6.793 1.00 0.00 N ATOM 1599 CA SER A 111 11.401 -8.960 -7.114 1.00 0.00 C ATOM 1600 C SER A 111 11.723 -10.108 -6.162 1.00 0.00 C ATOM 1601 O SER A 111 11.195 -10.175 -5.052 1.00 0.00 O ATOM 1602 CB SER A 111 12.503 -7.901 -7.044 1.00 0.00 C ATOM 1603 OG SER A 111 12.555 -7.301 -5.761 1.00 0.00 O ATOM 0 H SER A 111 10.142 -7.642 -6.075 1.00 0.00 H new ATOM 0 HA SER A 111 11.350 -9.356 -8.128 1.00 0.00 H new ATOM 0 HB2 SER A 111 13.465 -8.358 -7.274 1.00 0.00 H new ATOM 0 HB3 SER A 111 12.325 -7.136 -7.799 1.00 0.00 H new ATOM 0 HG SER A 111 13.268 -6.629 -5.743 1.00 0.00 H new ATOM 1609 N GLY A 112 12.593 -11.010 -6.605 1.00 0.00 N ATOM 1610 CA GLY A 112 12.970 -12.145 -5.782 1.00 0.00 C ATOM 1611 C GLY A 112 14.038 -13.003 -6.431 1.00 0.00 C ATOM 1612 O GLY A 112 14.233 -12.973 -7.646 1.00 0.00 O ATOM 0 H GLY A 112 13.044 -10.975 -7.519 1.00 0.00 H new ATOM 0 HA2 GLY A 112 13.332 -11.787 -4.818 1.00 0.00 H new ATOM 0 HA3 GLY A 112 12.089 -12.755 -5.584 1.00 0.00 H new ATOM 1616 N PRO A 113 14.752 -13.787 -5.610 1.00 0.00 N ATOM 1617 CA PRO A 113 15.818 -14.671 -6.090 1.00 0.00 C ATOM 1618 C PRO A 113 15.278 -15.844 -6.901 1.00 0.00 C ATOM 1619 O PRO A 113 14.909 -16.878 -6.344 1.00 0.00 O ATOM 1620 CB PRO A 113 16.473 -15.169 -4.799 1.00 0.00 C ATOM 1621 CG PRO A 113 15.403 -15.065 -3.767 1.00 0.00 C ATOM 1622 CD PRO A 113 14.572 -13.872 -4.151 1.00 0.00 C ATOM 0 HA PRO A 113 16.505 -14.155 -6.761 1.00 0.00 H new ATOM 0 HB2 PRO A 113 16.824 -16.196 -4.904 1.00 0.00 H new ATOM 0 HB3 PRO A 113 17.339 -14.562 -4.534 1.00 0.00 H new ATOM 0 HG2 PRO A 113 14.797 -15.971 -3.741 1.00 0.00 H new ATOM 0 HG3 PRO A 113 15.831 -14.939 -2.772 1.00 0.00 H new ATOM 0 HD2 PRO A 113 13.524 -14.009 -3.883 1.00 0.00 H new ATOM 0 HD3 PRO A 113 14.914 -12.966 -3.650 1.00 0.00 H new ATOM 1630 N SER A 114 15.236 -15.677 -8.218 1.00 0.00 N ATOM 1631 CA SER A 114 14.738 -16.722 -9.106 1.00 0.00 C ATOM 1632 C SER A 114 15.503 -18.024 -8.895 1.00 0.00 C ATOM 1633 O SER A 114 16.639 -18.169 -9.346 1.00 0.00 O ATOM 1634 CB SER A 114 14.855 -16.278 -10.566 1.00 0.00 C ATOM 1635 OG SER A 114 13.865 -15.317 -10.888 1.00 0.00 O ATOM 0 H SER A 114 15.541 -14.828 -8.695 1.00 0.00 H new ATOM 0 HA SER A 114 13.688 -16.896 -8.870 1.00 0.00 H new ATOM 0 HB2 SER A 114 15.845 -15.858 -10.743 1.00 0.00 H new ATOM 0 HB3 SER A 114 14.753 -17.143 -11.222 1.00 0.00 H new ATOM 0 HG SER A 114 13.962 -15.048 -11.825 1.00 0.00 H new ATOM 1641 N SER A 115 14.872 -18.969 -8.206 1.00 0.00 N ATOM 1642 CA SER A 115 15.493 -20.259 -7.931 1.00 0.00 C ATOM 1643 C SER A 115 15.933 -20.937 -9.225 1.00 0.00 C ATOM 1644 O SER A 115 17.113 -21.224 -9.419 1.00 0.00 O ATOM 1645 CB SER A 115 14.522 -21.165 -7.171 1.00 0.00 C ATOM 1646 OG SER A 115 15.207 -22.241 -6.553 1.00 0.00 O ATOM 0 H SER A 115 13.930 -18.865 -7.828 1.00 0.00 H new ATOM 0 HA SER A 115 16.375 -20.086 -7.314 1.00 0.00 H new ATOM 0 HB2 SER A 115 13.993 -20.584 -6.415 1.00 0.00 H new ATOM 0 HB3 SER A 115 13.770 -21.555 -7.857 1.00 0.00 H new ATOM 0 HG SER A 115 14.565 -22.804 -6.072 1.00 0.00 H new ATOM 1652 N GLY A 116 14.972 -21.190 -10.109 1.00 0.00 N ATOM 1653 CA GLY A 116 15.279 -21.832 -11.374 1.00 0.00 C ATOM 1654 C GLY A 116 15.083 -23.334 -11.324 1.00 0.00 C ATOM 1655 O GLY A 116 16.030 -24.082 -11.079 1.00 0.00 O ATOM 0 H GLY A 116 13.987 -20.962 -9.972 1.00 0.00 H new ATOM 0 HA2 GLY A 116 14.645 -21.412 -12.155 1.00 0.00 H new ATOM 0 HA3 GLY A 116 16.311 -21.612 -11.649 1.00 0.00 H new TER 1659 GLY A 116