USER MOD reduce.3.24.130724 H: found=0, std=0, add=783, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 781 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 62 ASN :FLIP amide:sc= -1.68 F(o=-1.8!,f=-0.49) USER MOD Set 1.2: A 84 THR OG1 : rot 41:sc= 1.2 USER MOD Set 2.1: A 44 SER OG : rot 153:sc= 1.78 USER MOD Set 2.2: A 91 LYS NZ :NH3+ -171:sc= 0.897 (180deg=0.0606) USER MOD Single : A 1 ALA N :NH3+ 175:sc= 0.656 (180deg=0.435) USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0339 USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.018) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 HIS : no HE2:sc= -0.286 X(o=-0.29,f=-0.15) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 154:sc= 0.17! (180deg=-1.11!) USER MOD Single : A 49 GLN : amide:sc= 1.07 K(o=1.1,f=-4!) USER MOD Single : A 55 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 56 ASN : amide:sc= -0.257 K(o=-0.26,f=-3.7!) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 GLN : amide:sc= -0.217 X(o=-0.22,f=-0.047) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0402 USER MOD Single : A 77 HIS : no HE2:sc= -3.3 K(o=-3.3,f=-5!) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 30:sc= 0 USER MOD Single : A 98 TYR OH : rot 90:sc= -0.0645 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 14.202 -11.468 -3.568 1.00 0.00 N ATOM 2 CA ALA A 1 14.736 -11.165 -4.901 1.00 0.00 C ATOM 3 C ALA A 1 16.011 -11.954 -5.176 1.00 0.00 C ATOM 4 O ALA A 1 16.649 -12.475 -4.260 1.00 0.00 O ATOM 5 CB ALA A 1 15.012 -9.666 -5.034 1.00 0.00 C ATOM 0 H1 ALA A 1 13.384 -10.856 -3.374 1.00 0.00 H new ATOM 0 H2 ALA A 1 13.906 -12.464 -3.531 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.938 -11.299 -2.853 1.00 0.00 H new ATOM 0 HA ALA A 1 13.987 -11.458 -5.636 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.408 -9.456 -6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.085 -9.111 -4.887 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.740 -9.362 -4.282 1.00 0.00 H new ATOM 13 N LEU A 2 16.435 -11.945 -6.437 1.00 0.00 N ATOM 14 CA LEU A 2 17.809 -12.144 -6.871 1.00 0.00 C ATOM 15 C LEU A 2 18.194 -10.894 -7.658 1.00 0.00 C ATOM 16 O LEU A 2 19.080 -10.140 -7.248 1.00 0.00 O ATOM 17 CB LEU A 2 17.922 -13.437 -7.703 1.00 0.00 C ATOM 18 CG LEU A 2 19.276 -13.616 -8.420 1.00 0.00 C ATOM 19 CD1 LEU A 2 20.453 -13.657 -7.441 1.00 0.00 C ATOM 20 CD2 LEU A 2 19.257 -14.916 -9.227 1.00 0.00 C ATOM 0 H LEU A 2 15.798 -11.791 -7.218 1.00 0.00 H new ATOM 0 HA LEU A 2 18.494 -12.274 -6.033 1.00 0.00 H new ATOM 0 HB2 LEU A 2 17.756 -14.292 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 2 17.126 -13.446 -8.448 1.00 0.00 H new ATOM 0 HG LEU A 2 19.414 -12.755 -9.073 1.00 0.00 H new ATOM 0 HD11 LEU A 2 21.383 -13.784 -7.995 1.00 0.00 H new ATOM 0 HD12 LEU A 2 20.491 -12.724 -6.878 1.00 0.00 H new ATOM 0 HD13 LEU A 2 20.324 -14.492 -6.752 1.00 0.00 H new ATOM 0 HD21 LEU A 2 20.213 -15.043 -9.734 1.00 0.00 H new ATOM 0 HD22 LEU A 2 19.087 -15.758 -8.556 1.00 0.00 H new ATOM 0 HD23 LEU A 2 18.457 -14.874 -9.966 1.00 0.00 H new ATOM 32 N PHE A 3 17.483 -10.648 -8.757 1.00 0.00 N ATOM 33 CA PHE A 3 17.711 -9.533 -9.657 1.00 0.00 C ATOM 34 C PHE A 3 17.449 -8.206 -8.948 1.00 0.00 C ATOM 35 O PHE A 3 16.566 -8.102 -8.089 1.00 0.00 O ATOM 36 CB PHE A 3 16.791 -9.666 -10.875 1.00 0.00 C ATOM 37 CG PHE A 3 17.111 -10.831 -11.793 1.00 0.00 C ATOM 38 CD1 PHE A 3 16.756 -12.149 -11.441 1.00 0.00 C ATOM 39 CD2 PHE A 3 17.757 -10.594 -13.019 1.00 0.00 C ATOM 40 CE1 PHE A 3 17.051 -13.216 -12.303 1.00 0.00 C ATOM 41 CE2 PHE A 3 18.024 -11.660 -13.896 1.00 0.00 C ATOM 42 CZ PHE A 3 17.675 -12.973 -13.536 1.00 0.00 C ATOM 0 H PHE A 3 16.708 -11.243 -9.050 1.00 0.00 H new ATOM 0 HA PHE A 3 18.752 -9.548 -9.981 1.00 0.00 H new ATOM 0 HB2 PHE A 3 15.763 -9.769 -10.526 1.00 0.00 H new ATOM 0 HB3 PHE A 3 16.841 -8.743 -11.452 1.00 0.00 H new ATOM 0 HD1 PHE A 3 16.255 -12.338 -10.503 1.00 0.00 H new ATOM 0 HD2 PHE A 3 18.049 -9.590 -13.288 1.00 0.00 H new ATOM 0 HE1 PHE A 3 16.797 -14.226 -12.017 1.00 0.00 H new ATOM 0 HE2 PHE A 3 18.498 -11.470 -14.848 1.00 0.00 H new ATOM 0 HZ PHE A 3 17.887 -13.793 -14.207 1.00 0.00 H new ATOM 52 N SER A 4 18.211 -7.193 -9.346 1.00 0.00 N ATOM 53 CA SER A 4 18.031 -5.804 -8.963 1.00 0.00 C ATOM 54 C SER A 4 16.821 -5.196 -9.692 1.00 0.00 C ATOM 55 O SER A 4 15.956 -5.908 -10.215 1.00 0.00 O ATOM 56 CB SER A 4 19.347 -5.055 -9.219 1.00 0.00 C ATOM 57 OG SER A 4 20.405 -5.698 -8.527 1.00 0.00 O ATOM 0 H SER A 4 19.005 -7.327 -9.972 1.00 0.00 H new ATOM 0 HA SER A 4 17.803 -5.718 -7.901 1.00 0.00 H new ATOM 0 HB2 SER A 4 19.561 -5.030 -10.288 1.00 0.00 H new ATOM 0 HB3 SER A 4 19.258 -4.020 -8.887 1.00 0.00 H new ATOM 0 HG SER A 4 21.244 -5.219 -8.694 1.00 0.00 H new ATOM 63 N GLY A 5 16.703 -3.869 -9.680 1.00 0.00 N ATOM 64 CA GLY A 5 15.562 -3.148 -10.211 1.00 0.00 C ATOM 65 C GLY A 5 14.440 -3.138 -9.187 1.00 0.00 C ATOM 66 O GLY A 5 14.091 -2.073 -8.676 1.00 0.00 O ATOM 0 H GLY A 5 17.419 -3.257 -9.290 1.00 0.00 H new ATOM 0 HA2 GLY A 5 15.849 -2.126 -10.460 1.00 0.00 H new ATOM 0 HA3 GLY A 5 15.221 -3.617 -11.134 1.00 0.00 H new ATOM 70 N ASP A 6 13.941 -4.312 -8.797 1.00 0.00 N ATOM 71 CA ASP A 6 12.751 -4.428 -7.954 1.00 0.00 C ATOM 72 C ASP A 6 13.140 -4.141 -6.500 1.00 0.00 C ATOM 73 O ASP A 6 14.326 -4.133 -6.156 1.00 0.00 O ATOM 74 CB ASP A 6 12.144 -5.845 -8.025 1.00 0.00 C ATOM 75 CG ASP A 6 11.897 -6.354 -9.447 1.00 0.00 C ATOM 76 OD1 ASP A 6 11.143 -5.695 -10.192 1.00 0.00 O ATOM 77 OD2 ASP A 6 12.443 -7.422 -9.817 1.00 0.00 O ATOM 0 H ASP A 6 14.351 -5.209 -9.057 1.00 0.00 H new ATOM 0 HA ASP A 6 12.011 -3.713 -8.313 1.00 0.00 H new ATOM 0 HB2 ASP A 6 12.811 -6.539 -7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 6 11.200 -5.851 -7.480 1.00 0.00 H new ATOM 82 N ILE A 7 12.156 -3.898 -5.631 1.00 0.00 N ATOM 83 CA ILE A 7 12.359 -3.619 -4.211 1.00 0.00 C ATOM 84 C ILE A 7 12.803 -4.885 -3.456 1.00 0.00 C ATOM 85 O ILE A 7 12.045 -5.492 -2.710 1.00 0.00 O ATOM 86 CB ILE A 7 11.121 -2.937 -3.578 1.00 0.00 C ATOM 87 CG1 ILE A 7 9.759 -3.630 -3.790 1.00 0.00 C ATOM 88 CG2 ILE A 7 11.015 -1.465 -3.980 1.00 0.00 C ATOM 89 CD1 ILE A 7 8.988 -3.273 -5.068 1.00 0.00 C ATOM 0 H ILE A 7 11.173 -3.890 -5.904 1.00 0.00 H new ATOM 0 HA ILE A 7 13.174 -2.901 -4.120 1.00 0.00 H new ATOM 0 HB ILE A 7 11.322 -3.033 -2.511 1.00 0.00 H new ATOM 0 HG12 ILE A 7 9.922 -4.708 -3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 7 9.124 -3.398 -2.935 1.00 0.00 H new ATOM 0 HG21 ILE A 7 10.134 -1.023 -3.515 1.00 0.00 H new ATOM 0 HG22 ILE A 7 11.906 -0.932 -3.648 1.00 0.00 H new ATOM 0 HG23 ILE A 7 10.930 -1.389 -5.064 1.00 0.00 H new ATOM 0 HD11 ILE A 7 8.050 -3.828 -5.094 1.00 0.00 H new ATOM 0 HD12 ILE A 7 8.777 -2.204 -5.079 1.00 0.00 H new ATOM 0 HD13 ILE A 7 9.588 -3.534 -5.940 1.00 0.00 H new ATOM 101 N ALA A 8 14.074 -5.248 -3.588 1.00 0.00 N ATOM 102 CA ALA A 8 14.716 -6.352 -2.877 1.00 0.00 C ATOM 103 C ALA A 8 14.957 -6.021 -1.405 1.00 0.00 C ATOM 104 O ALA A 8 15.244 -6.905 -0.600 1.00 0.00 O ATOM 105 CB ALA A 8 16.033 -6.716 -3.565 1.00 0.00 C ATOM 0 H ALA A 8 14.713 -4.763 -4.218 1.00 0.00 H new ATOM 0 HA ALA A 8 14.041 -7.207 -2.909 1.00 0.00 H new ATOM 0 HB1 ALA A 8 16.507 -7.539 -3.031 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.835 -7.017 -4.594 1.00 0.00 H new ATOM 0 HB3 ALA A 8 16.697 -5.851 -3.561 1.00 0.00 H new ATOM 111 N ASN A 9 14.758 -4.758 -1.033 1.00 0.00 N ATOM 112 CA ASN A 9 14.789 -4.302 0.347 1.00 0.00 C ATOM 113 C ASN A 9 13.482 -4.682 1.024 1.00 0.00 C ATOM 114 O ASN A 9 13.440 -4.857 2.237 1.00 0.00 O ATOM 115 CB ASN A 9 14.969 -2.775 0.402 1.00 0.00 C ATOM 116 CG ASN A 9 16.420 -2.380 0.626 1.00 0.00 C ATOM 117 OD1 ASN A 9 16.967 -2.556 1.708 1.00 0.00 O ATOM 118 ND2 ASN A 9 17.082 -1.824 -0.374 1.00 0.00 N ATOM 0 H ASN A 9 14.567 -4.010 -1.700 1.00 0.00 H new ATOM 0 HA ASN A 9 15.627 -4.773 0.861 1.00 0.00 H new ATOM 0 HB2 ASN A 9 14.613 -2.334 -0.529 1.00 0.00 H new ATOM 0 HB3 ASN A 9 14.354 -2.366 1.204 1.00 0.00 H new ATOM 0 HD21 ASN A 9 18.053 -1.539 -0.247 1.00 0.00 H new ATOM 0 HD22 ASN A 9 16.622 -1.680 -1.273 1.00 0.00 H new ATOM 125 N LEU A 10 12.421 -4.851 0.241 1.00 0.00 N ATOM 126 CA LEU A 10 11.106 -5.254 0.689 1.00 0.00 C ATOM 127 C LEU A 10 10.977 -6.758 0.428 1.00 0.00 C ATOM 128 O LEU A 10 10.293 -7.182 -0.506 1.00 0.00 O ATOM 129 CB LEU A 10 10.097 -4.427 -0.104 1.00 0.00 C ATOM 130 CG LEU A 10 9.939 -2.952 0.297 1.00 0.00 C ATOM 131 CD1 LEU A 10 9.089 -2.755 1.555 1.00 0.00 C ATOM 132 CD2 LEU A 10 11.220 -2.125 0.471 1.00 0.00 C ATOM 0 H LEU A 10 12.464 -4.702 -0.767 1.00 0.00 H new ATOM 0 HA LEU A 10 10.932 -5.082 1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 10 10.380 -4.464 -1.156 1.00 0.00 H new ATOM 0 HB3 LEU A 10 9.123 -4.908 -0.019 1.00 0.00 H new ATOM 0 HG LEU A 10 9.436 -2.567 -0.590 1.00 0.00 H new ATOM 0 HD11 LEU A 10 9.017 -1.691 1.783 1.00 0.00 H new ATOM 0 HD12 LEU A 10 8.090 -3.158 1.386 1.00 0.00 H new ATOM 0 HD13 LEU A 10 9.553 -3.275 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 10 10.959 -1.105 0.754 1.00 0.00 H new ATOM 0 HD22 LEU A 10 11.838 -2.571 1.250 1.00 0.00 H new ATOM 0 HD23 LEU A 10 11.774 -2.111 -0.468 1.00 0.00 H new ATOM 144 N THR A 11 11.664 -7.580 1.221 1.00 0.00 N ATOM 145 CA THR A 11 11.474 -9.021 1.217 1.00 0.00 C ATOM 146 C THR A 11 10.214 -9.343 2.023 1.00 0.00 C ATOM 147 O THR A 11 9.621 -8.479 2.663 1.00 0.00 O ATOM 148 CB THR A 11 12.744 -9.739 1.730 1.00 0.00 C ATOM 149 OG1 THR A 11 13.573 -8.876 2.488 1.00 0.00 O ATOM 150 CG2 THR A 11 13.573 -10.251 0.549 1.00 0.00 C ATOM 0 H THR A 11 12.369 -7.259 1.885 1.00 0.00 H new ATOM 0 HA THR A 11 11.323 -9.394 0.204 1.00 0.00 H new ATOM 0 HB THR A 11 12.405 -10.560 2.361 1.00 0.00 H new ATOM 0 HG1 THR A 11 14.363 -9.368 2.795 1.00 0.00 H new ATOM 0 HG21 THR A 11 14.465 -10.755 0.922 1.00 0.00 H new ATOM 0 HG22 THR A 11 12.978 -10.952 -0.036 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.867 -9.411 -0.080 1.00 0.00 H new ATOM 158 N ALA A 12 9.791 -10.600 2.006 1.00 0.00 N ATOM 159 CA ALA A 12 8.576 -11.060 2.663 1.00 0.00 C ATOM 160 C ALA A 12 8.687 -10.941 4.158 1.00 0.00 C ATOM 161 O ALA A 12 7.860 -10.267 4.764 1.00 0.00 O ATOM 162 CB ALA A 12 8.306 -12.509 2.253 1.00 0.00 C ATOM 0 H ALA A 12 10.295 -11.344 1.524 1.00 0.00 H new ATOM 0 HA ALA A 12 7.742 -10.431 2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 12 7.397 -12.862 2.741 1.00 0.00 H new ATOM 0 HB2 ALA A 12 8.182 -12.564 1.171 1.00 0.00 H new ATOM 0 HB3 ALA A 12 9.146 -13.135 2.554 1.00 0.00 H new ATOM 168 N ALA A 13 9.691 -11.569 4.747 1.00 0.00 N ATOM 169 CA ALA A 13 9.861 -11.497 6.184 1.00 0.00 C ATOM 170 C ALA A 13 10.197 -10.066 6.619 1.00 0.00 C ATOM 171 O ALA A 13 9.957 -9.708 7.774 1.00 0.00 O ATOM 172 CB ALA A 13 10.942 -12.485 6.594 1.00 0.00 C ATOM 0 H ALA A 13 10.391 -12.127 4.258 1.00 0.00 H new ATOM 0 HA ALA A 13 8.931 -11.765 6.686 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.082 -12.443 7.674 1.00 0.00 H new ATOM 0 HB2 ALA A 13 10.642 -13.493 6.306 1.00 0.00 H new ATOM 0 HB3 ALA A 13 11.877 -12.228 6.096 1.00 0.00 H new ATOM 178 N GLU A 14 10.718 -9.243 5.702 1.00 0.00 N ATOM 179 CA GLU A 14 11.129 -7.886 5.981 1.00 0.00 C ATOM 180 C GLU A 14 9.918 -6.963 5.926 1.00 0.00 C ATOM 181 O GLU A 14 9.827 -6.050 6.740 1.00 0.00 O ATOM 182 CB GLU A 14 12.179 -7.496 4.937 1.00 0.00 C ATOM 183 CG GLU A 14 12.925 -6.197 5.258 1.00 0.00 C ATOM 184 CD GLU A 14 13.684 -6.238 6.585 1.00 0.00 C ATOM 185 OE1 GLU A 14 14.464 -7.192 6.813 1.00 0.00 O ATOM 186 OE2 GLU A 14 13.578 -5.277 7.383 1.00 0.00 O ATOM 0 H GLU A 14 10.863 -9.518 4.731 1.00 0.00 H new ATOM 0 HA GLU A 14 11.560 -7.800 6.979 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.903 -8.305 4.845 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.692 -7.393 3.968 1.00 0.00 H new ATOM 0 HG2 GLU A 14 13.629 -5.984 4.453 1.00 0.00 H new ATOM 0 HG3 GLU A 14 12.210 -5.374 5.283 1.00 0.00 H new ATOM 193 N ILE A 15 8.971 -7.191 5.010 1.00 0.00 N ATOM 194 CA ILE A 15 7.693 -6.508 5.026 1.00 0.00 C ATOM 195 C ILE A 15 6.926 -6.988 6.254 1.00 0.00 C ATOM 196 O ILE A 15 6.407 -6.139 6.969 1.00 0.00 O ATOM 197 CB ILE A 15 6.957 -6.702 3.677 1.00 0.00 C ATOM 198 CG1 ILE A 15 7.559 -5.733 2.640 1.00 0.00 C ATOM 199 CG2 ILE A 15 5.445 -6.415 3.757 1.00 0.00 C ATOM 200 CD1 ILE A 15 7.085 -5.974 1.197 1.00 0.00 C ATOM 0 H ILE A 15 9.078 -7.854 4.242 1.00 0.00 H new ATOM 0 HA ILE A 15 7.807 -5.428 5.117 1.00 0.00 H new ATOM 0 HB ILE A 15 7.085 -7.748 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 15 7.308 -4.712 2.926 1.00 0.00 H new ATOM 0 HG13 ILE A 15 8.645 -5.815 2.671 1.00 0.00 H new ATOM 0 HG21 ILE A 15 4.993 -6.570 2.777 1.00 0.00 H new ATOM 0 HG22 ILE A 15 4.985 -7.088 4.480 1.00 0.00 H new ATOM 0 HG23 ILE A 15 5.287 -5.383 4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 15 7.557 -5.249 0.533 1.00 0.00 H new ATOM 0 HD12 ILE A 15 7.360 -6.982 0.887 1.00 0.00 H new ATOM 0 HD13 ILE A 15 6.002 -5.862 1.146 1.00 0.00 H new ATOM 212 N GLU A 16 6.889 -8.293 6.546 1.00 0.00 N ATOM 213 CA GLU A 16 6.130 -8.784 7.698 1.00 0.00 C ATOM 214 C GLU A 16 6.579 -8.081 8.973 1.00 0.00 C ATOM 215 O GLU A 16 5.786 -7.397 9.608 1.00 0.00 O ATOM 216 CB GLU A 16 6.232 -10.303 7.895 1.00 0.00 C ATOM 217 CG GLU A 16 5.403 -11.124 6.898 1.00 0.00 C ATOM 218 CD GLU A 16 5.019 -12.498 7.444 1.00 0.00 C ATOM 219 OE1 GLU A 16 5.907 -13.294 7.828 1.00 0.00 O ATOM 220 OE2 GLU A 16 3.805 -12.801 7.495 1.00 0.00 O ATOM 0 H GLU A 16 7.368 -9.017 6.010 1.00 0.00 H new ATOM 0 HA GLU A 16 5.086 -8.555 7.486 1.00 0.00 H new ATOM 0 HB2 GLU A 16 7.278 -10.599 7.812 1.00 0.00 H new ATOM 0 HB3 GLU A 16 5.911 -10.549 8.907 1.00 0.00 H new ATOM 0 HG2 GLU A 16 4.498 -10.573 6.643 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.970 -11.249 5.976 1.00 0.00 H new ATOM 227 N GLN A 17 7.848 -8.204 9.354 1.00 0.00 N ATOM 228 CA GLN A 17 8.336 -7.628 10.596 1.00 0.00 C ATOM 229 C GLN A 17 8.509 -6.120 10.447 1.00 0.00 C ATOM 230 O GLN A 17 8.484 -5.403 11.448 1.00 0.00 O ATOM 231 CB GLN A 17 9.607 -8.382 10.981 1.00 0.00 C ATOM 232 CG GLN A 17 10.492 -7.755 12.057 1.00 0.00 C ATOM 233 CD GLN A 17 11.531 -8.777 12.508 1.00 0.00 C ATOM 234 OE1 GLN A 17 12.550 -8.982 11.845 1.00 0.00 O ATOM 235 NE2 GLN A 17 11.277 -9.469 13.604 1.00 0.00 N ATOM 0 H GLN A 17 8.557 -8.701 8.815 1.00 0.00 H new ATOM 0 HA GLN A 17 7.624 -7.743 11.413 1.00 0.00 H new ATOM 0 HB2 GLN A 17 9.320 -9.378 11.318 1.00 0.00 H new ATOM 0 HB3 GLN A 17 10.209 -8.511 10.081 1.00 0.00 H new ATOM 0 HG2 GLN A 17 10.985 -6.865 11.666 1.00 0.00 H new ATOM 0 HG3 GLN A 17 9.885 -7.437 12.905 1.00 0.00 H new ATOM 0 HE21 GLN A 17 10.428 -9.284 14.139 1.00 0.00 H new ATOM 0 HE22 GLN A 17 11.930 -10.188 13.916 1.00 0.00 H new ATOM 244 N GLY A 18 8.613 -5.625 9.213 1.00 0.00 N ATOM 245 CA GLY A 18 8.691 -4.219 8.925 1.00 0.00 C ATOM 246 C GLY A 18 7.380 -3.533 9.257 1.00 0.00 C ATOM 247 O GLY A 18 7.390 -2.414 9.770 1.00 0.00 O ATOM 0 H GLY A 18 8.645 -6.213 8.380 1.00 0.00 H new ATOM 0 HA2 GLY A 18 9.499 -3.769 9.501 1.00 0.00 H new ATOM 0 HA3 GLY A 18 8.929 -4.071 7.872 1.00 0.00 H new ATOM 251 N PHE A 19 6.256 -4.198 8.980 1.00 0.00 N ATOM 252 CA PHE A 19 4.939 -3.575 8.938 1.00 0.00 C ATOM 253 C PHE A 19 3.920 -4.283 9.827 1.00 0.00 C ATOM 254 O PHE A 19 2.742 -3.927 9.827 1.00 0.00 O ATOM 255 CB PHE A 19 4.530 -3.434 7.470 1.00 0.00 C ATOM 256 CG PHE A 19 5.537 -2.588 6.704 1.00 0.00 C ATOM 257 CD1 PHE A 19 5.768 -1.250 7.077 1.00 0.00 C ATOM 258 CD2 PHE A 19 6.330 -3.164 5.701 1.00 0.00 C ATOM 259 CE1 PHE A 19 6.762 -0.488 6.436 1.00 0.00 C ATOM 260 CE2 PHE A 19 7.338 -2.418 5.069 1.00 0.00 C ATOM 261 CZ PHE A 19 7.543 -1.076 5.425 1.00 0.00 C ATOM 0 H PHE A 19 6.239 -5.197 8.776 1.00 0.00 H new ATOM 0 HA PHE A 19 4.978 -2.576 9.373 1.00 0.00 H new ATOM 0 HB2 PHE A 19 4.456 -4.421 7.013 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.542 -2.978 7.406 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.176 -0.804 7.863 1.00 0.00 H new ATOM 0 HD2 PHE A 19 6.164 -4.191 5.412 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.924 0.542 6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 19 7.955 -2.876 4.310 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.301 -0.494 4.922 1.00 0.00 H new ATOM 271 N LYS A 20 4.397 -5.188 10.686 1.00 0.00 N ATOM 272 CA LYS A 20 3.686 -5.839 11.789 1.00 0.00 C ATOM 273 C LYS A 20 3.055 -4.887 12.817 1.00 0.00 C ATOM 274 O LYS A 20 2.518 -5.345 13.824 1.00 0.00 O ATOM 275 CB LYS A 20 4.632 -6.874 12.447 1.00 0.00 C ATOM 276 CG LYS A 20 4.125 -8.296 12.170 1.00 0.00 C ATOM 277 CD LYS A 20 5.104 -9.357 12.686 1.00 0.00 C ATOM 278 CE LYS A 20 4.889 -10.703 11.989 1.00 0.00 C ATOM 279 NZ LYS A 20 3.532 -11.243 12.181 1.00 0.00 N ATOM 0 H LYS A 20 5.363 -5.509 10.623 1.00 0.00 H new ATOM 0 HA LYS A 20 2.819 -6.340 11.358 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.642 -6.756 12.056 1.00 0.00 H new ATOM 0 HB3 LYS A 20 4.684 -6.700 13.522 1.00 0.00 H new ATOM 0 HG2 LYS A 20 3.154 -8.435 12.645 1.00 0.00 H new ATOM 0 HG3 LYS A 20 3.977 -8.427 11.098 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.128 -9.020 12.522 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.977 -9.478 13.762 1.00 0.00 H new ATOM 0 HE2 LYS A 20 5.080 -10.587 10.922 1.00 0.00 H new ATOM 0 HE3 LYS A 20 5.616 -11.421 12.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 3.468 -12.185 11.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.329 -11.319 13.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 2.839 -10.607 11.736 1.00 0.00 H new ATOM 293 N ASP A 21 3.064 -3.580 12.572 1.00 0.00 N ATOM 294 CA ASP A 21 2.448 -2.564 13.412 1.00 0.00 C ATOM 295 C ASP A 21 0.943 -2.548 13.161 1.00 0.00 C ATOM 296 O ASP A 21 0.173 -2.410 14.110 1.00 0.00 O ATOM 297 CB ASP A 21 3.044 -1.201 13.041 1.00 0.00 C ATOM 298 CG ASP A 21 2.448 -0.044 13.837 1.00 0.00 C ATOM 299 OD1 ASP A 21 1.398 0.497 13.438 1.00 0.00 O ATOM 300 OD2 ASP A 21 3.108 0.410 14.803 1.00 0.00 O ATOM 0 H ASP A 21 3.520 -3.186 11.749 1.00 0.00 H new ATOM 0 HA ASP A 21 2.634 -2.779 14.464 1.00 0.00 H new ATOM 0 HB2 ASP A 21 4.122 -1.227 13.203 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.886 -1.021 11.978 1.00 0.00 H new ATOM 305 N VAL A 22 0.491 -2.796 11.931 1.00 0.00 N ATOM 306 CA VAL A 22 -0.896 -2.810 11.525 1.00 0.00 C ATOM 307 C VAL A 22 -1.255 -4.239 11.087 1.00 0.00 C ATOM 308 O VAL A 22 -0.351 -5.051 10.857 1.00 0.00 O ATOM 309 CB VAL A 22 -1.074 -1.796 10.374 1.00 0.00 C ATOM 310 CG1 VAL A 22 -1.827 -0.545 10.843 1.00 0.00 C ATOM 311 CG2 VAL A 22 0.195 -1.339 9.639 1.00 0.00 C ATOM 0 H VAL A 22 1.124 -3.002 11.158 1.00 0.00 H new ATOM 0 HA VAL A 22 -1.560 -2.524 12.340 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.645 -2.375 9.648 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.935 0.148 10.009 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -2.814 -0.830 11.209 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -1.268 -0.063 11.645 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -0.073 -0.629 8.856 1.00 0.00 H new ATOM 0 HG22 VAL A 22 0.873 -0.860 10.346 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.688 -2.203 9.192 1.00 0.00 H new ATOM 321 N PRO A 23 -2.549 -4.578 10.951 1.00 0.00 N ATOM 322 CA PRO A 23 -2.952 -5.823 10.320 1.00 0.00 C ATOM 323 C PRO A 23 -2.643 -5.790 8.820 1.00 0.00 C ATOM 324 O PRO A 23 -2.181 -4.793 8.251 1.00 0.00 O ATOM 325 CB PRO A 23 -4.453 -5.963 10.598 1.00 0.00 C ATOM 326 CG PRO A 23 -4.905 -4.512 10.653 1.00 0.00 C ATOM 327 CD PRO A 23 -3.723 -3.794 11.305 1.00 0.00 C ATOM 0 HA PRO A 23 -2.407 -6.680 10.716 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.963 -6.519 9.811 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -4.647 -6.486 11.535 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -5.114 -4.119 9.658 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -5.817 -4.398 11.239 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -3.636 -2.770 10.940 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.846 -3.738 12.387 1.00 0.00 H new ATOM 335 N SER A 24 -2.939 -6.911 8.182 1.00 0.00 N ATOM 336 CA SER A 24 -2.638 -7.207 6.796 1.00 0.00 C ATOM 337 C SER A 24 -3.939 -7.496 6.039 1.00 0.00 C ATOM 338 O SER A 24 -5.034 -7.413 6.611 1.00 0.00 O ATOM 339 CB SER A 24 -1.644 -8.385 6.768 1.00 0.00 C ATOM 340 OG SER A 24 -1.938 -9.371 7.752 1.00 0.00 O ATOM 0 H SER A 24 -3.423 -7.680 8.646 1.00 0.00 H new ATOM 0 HA SER A 24 -2.172 -6.360 6.293 1.00 0.00 H new ATOM 0 HB2 SER A 24 -1.660 -8.846 5.780 1.00 0.00 H new ATOM 0 HB3 SER A 24 -0.634 -8.008 6.927 1.00 0.00 H new ATOM 0 HG SER A 24 -1.282 -10.097 7.694 1.00 0.00 H new ATOM 346 N PHE A 25 -3.847 -7.837 4.757 1.00 0.00 N ATOM 347 CA PHE A 25 -4.912 -8.438 3.985 1.00 0.00 C ATOM 348 C PHE A 25 -4.326 -9.459 3.030 1.00 0.00 C ATOM 349 O PHE A 25 -3.143 -9.392 2.687 1.00 0.00 O ATOM 350 CB PHE A 25 -5.583 -7.326 3.200 1.00 0.00 C ATOM 351 CG PHE A 25 -6.634 -7.771 2.200 1.00 0.00 C ATOM 352 CD1 PHE A 25 -7.828 -8.357 2.650 1.00 0.00 C ATOM 353 CD2 PHE A 25 -6.391 -7.661 0.817 1.00 0.00 C ATOM 354 CE1 PHE A 25 -8.756 -8.857 1.723 1.00 0.00 C ATOM 355 CE2 PHE A 25 -7.338 -8.129 -0.108 1.00 0.00 C ATOM 356 CZ PHE A 25 -8.519 -8.739 0.346 1.00 0.00 C ATOM 0 H PHE A 25 -2.995 -7.694 4.214 1.00 0.00 H new ATOM 0 HA PHE A 25 -5.631 -8.939 4.633 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -6.047 -6.637 3.905 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -4.814 -6.767 2.667 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.032 -8.423 3.708 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -5.472 -7.215 0.466 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -9.659 -9.336 2.073 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -7.159 -8.020 -1.167 1.00 0.00 H new ATOM 0 HZ PHE A 25 -9.242 -9.116 -0.363 1.00 0.00 H new ATOM 366 N VAL A 26 -5.181 -10.354 2.550 1.00 0.00 N ATOM 367 CA VAL A 26 -4.873 -11.347 1.565 1.00 0.00 C ATOM 368 C VAL A 26 -6.099 -11.527 0.665 1.00 0.00 C ATOM 369 O VAL A 26 -7.211 -11.599 1.195 1.00 0.00 O ATOM 370 CB VAL A 26 -4.456 -12.610 2.329 1.00 0.00 C ATOM 371 CG1 VAL A 26 -5.602 -13.327 3.036 1.00 0.00 C ATOM 372 CG2 VAL A 26 -3.753 -13.595 1.409 1.00 0.00 C ATOM 0 H VAL A 26 -6.151 -10.397 2.861 1.00 0.00 H new ATOM 0 HA VAL A 26 -4.051 -11.073 0.904 1.00 0.00 H new ATOM 0 HB VAL A 26 -3.777 -12.253 3.104 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -5.218 -14.208 3.550 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -6.060 -12.654 3.761 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.348 -13.632 2.302 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -3.468 -14.482 1.975 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -4.426 -13.882 0.601 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -2.861 -13.129 0.991 1.00 0.00 H new ATOM 382 N HIS A 27 -5.928 -11.613 -0.657 1.00 0.00 N ATOM 383 CA HIS A 27 -6.978 -12.132 -1.536 1.00 0.00 C ATOM 384 C HIS A 27 -6.483 -13.379 -2.262 1.00 0.00 C ATOM 385 O HIS A 27 -5.350 -13.797 -2.101 1.00 0.00 O ATOM 386 CB HIS A 27 -7.516 -11.056 -2.485 1.00 0.00 C ATOM 387 CG HIS A 27 -6.538 -10.368 -3.400 1.00 0.00 C ATOM 388 ND1 HIS A 27 -6.820 -9.219 -4.094 1.00 0.00 N ATOM 389 CD2 HIS A 27 -5.222 -10.671 -3.618 1.00 0.00 C ATOM 390 CE1 HIS A 27 -5.682 -8.803 -4.664 1.00 0.00 C ATOM 391 NE2 HIS A 27 -4.670 -9.641 -4.382 1.00 0.00 N ATOM 0 H HIS A 27 -5.075 -11.331 -1.140 1.00 0.00 H new ATOM 0 HA HIS A 27 -7.831 -12.427 -0.925 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -8.288 -11.513 -3.104 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -8.003 -10.291 -1.881 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -7.730 -8.764 -4.163 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -4.703 -11.549 -3.263 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -5.590 -7.913 -5.269 1.00 0.00 H new ATOM 399 N GLU A 28 -7.308 -13.991 -3.083 1.00 0.00 N ATOM 400 CA GLU A 28 -6.974 -15.203 -3.836 1.00 0.00 C ATOM 401 C GLU A 28 -6.366 -14.818 -5.195 1.00 0.00 C ATOM 402 O GLU A 28 -6.872 -15.187 -6.258 1.00 0.00 O ATOM 403 CB GLU A 28 -8.210 -16.109 -3.923 1.00 0.00 C ATOM 404 CG GLU A 28 -7.842 -17.551 -4.315 1.00 0.00 C ATOM 405 CD GLU A 28 -9.061 -18.458 -4.516 1.00 0.00 C ATOM 406 OE1 GLU A 28 -10.219 -17.980 -4.482 1.00 0.00 O ATOM 407 OE2 GLU A 28 -8.879 -19.674 -4.760 1.00 0.00 O ATOM 0 H GLU A 28 -8.257 -13.659 -3.257 1.00 0.00 H new ATOM 0 HA GLU A 28 -6.209 -15.787 -3.324 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -8.724 -16.115 -2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.907 -15.701 -4.655 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -7.258 -17.531 -5.235 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -7.204 -17.978 -3.541 1.00 0.00 H new ATOM 414 N GLY A 29 -5.282 -14.040 -5.166 1.00 0.00 N ATOM 415 CA GLY A 29 -4.577 -13.588 -6.361 1.00 0.00 C ATOM 416 C GLY A 29 -5.479 -12.782 -7.298 1.00 0.00 C ATOM 417 O GLY A 29 -6.506 -12.245 -6.878 1.00 0.00 O ATOM 0 H GLY A 29 -4.866 -13.703 -4.298 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.724 -12.977 -6.067 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.181 -14.452 -6.895 1.00 0.00 H new ATOM 421 N GLY A 30 -5.071 -12.711 -8.566 1.00 0.00 N ATOM 422 CA GLY A 30 -5.697 -11.937 -9.628 1.00 0.00 C ATOM 423 C GLY A 30 -5.113 -10.542 -9.593 1.00 0.00 C ATOM 424 O GLY A 30 -5.176 -9.909 -8.543 1.00 0.00 O ATOM 0 H GLY A 30 -4.250 -13.221 -8.893 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.516 -12.402 -10.597 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -6.777 -11.902 -9.488 1.00 0.00 H new ATOM 428 N ASP A 31 -4.530 -10.048 -10.697 1.00 0.00 N ATOM 429 CA ASP A 31 -4.133 -8.641 -10.716 1.00 0.00 C ATOM 430 C ASP A 31 -5.389 -7.818 -10.500 1.00 0.00 C ATOM 431 O ASP A 31 -6.432 -8.075 -11.113 1.00 0.00 O ATOM 432 CB ASP A 31 -3.255 -8.196 -11.883 1.00 0.00 C ATOM 433 CG ASP A 31 -3.960 -7.923 -13.213 1.00 0.00 C ATOM 434 OD1 ASP A 31 -4.877 -7.079 -13.302 1.00 0.00 O ATOM 435 OD2 ASP A 31 -3.537 -8.511 -14.233 1.00 0.00 O ATOM 0 H ASP A 31 -4.332 -10.576 -11.547 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.431 -8.469 -9.900 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.729 -7.289 -11.585 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.499 -8.963 -12.051 1.00 0.00 H new ATOM 440 N VAL A 32 -5.309 -6.881 -9.564 1.00 0.00 N ATOM 441 CA VAL A 32 -6.489 -6.257 -8.986 1.00 0.00 C ATOM 442 C VAL A 32 -6.042 -4.880 -8.567 1.00 0.00 C ATOM 443 O VAL A 32 -4.928 -4.734 -8.068 1.00 0.00 O ATOM 444 CB VAL A 32 -6.965 -7.101 -7.789 1.00 0.00 C ATOM 445 CG1 VAL A 32 -7.634 -6.349 -6.620 1.00 0.00 C ATOM 446 CG2 VAL A 32 -7.944 -8.200 -8.222 1.00 0.00 C ATOM 0 H VAL A 32 -4.427 -6.534 -9.186 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.329 -6.190 -9.678 1.00 0.00 H new ATOM 0 HB VAL A 32 -6.020 -7.496 -7.415 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -7.920 -7.061 -5.846 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -6.934 -5.624 -6.205 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.522 -5.830 -6.982 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -8.257 -8.773 -7.349 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.818 -7.746 -8.690 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.454 -8.863 -8.935 1.00 0.00 H new ATOM 456 N PRO A 33 -6.877 -3.865 -8.767 1.00 0.00 N ATOM 457 CA PRO A 33 -6.445 -2.503 -8.640 1.00 0.00 C ATOM 458 C PRO A 33 -6.347 -2.104 -7.173 1.00 0.00 C ATOM 459 O PRO A 33 -7.102 -2.561 -6.299 1.00 0.00 O ATOM 460 CB PRO A 33 -7.477 -1.715 -9.445 1.00 0.00 C ATOM 461 CG PRO A 33 -8.752 -2.511 -9.208 1.00 0.00 C ATOM 462 CD PRO A 33 -8.250 -3.952 -9.213 1.00 0.00 C ATOM 0 HA PRO A 33 -5.442 -2.314 -9.022 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -7.568 -0.687 -9.093 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -7.218 -1.668 -10.503 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -9.223 -2.249 -8.261 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -9.490 -2.336 -9.990 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -8.843 -4.580 -8.548 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -8.316 -4.391 -10.209 1.00 0.00 H new ATOM 470 N LEU A 34 -5.457 -1.139 -6.941 1.00 0.00 N ATOM 471 CA LEU A 34 -5.283 -0.490 -5.653 1.00 0.00 C ATOM 472 C LEU A 34 -6.624 -0.063 -5.024 1.00 0.00 C ATOM 473 O LEU A 34 -6.797 -0.229 -3.824 1.00 0.00 O ATOM 474 CB LEU A 34 -4.111 0.505 -5.688 1.00 0.00 C ATOM 475 CG LEU A 34 -4.315 1.909 -6.263 1.00 0.00 C ATOM 476 CD1 LEU A 34 -2.945 2.574 -6.444 1.00 0.00 C ATOM 477 CD2 LEU A 34 -5.048 1.952 -7.608 1.00 0.00 C ATOM 0 H LEU A 34 -4.827 -0.784 -7.661 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.943 -1.204 -4.903 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.755 0.623 -4.664 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.305 0.037 -6.254 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.948 2.434 -5.548 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.078 3.575 -6.853 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -2.442 2.640 -5.479 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.340 1.980 -7.128 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.146 2.987 -7.936 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.481 1.388 -8.349 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.039 1.511 -7.497 1.00 0.00 H new ATOM 489 N VAL A 35 -7.636 0.327 -5.812 1.00 0.00 N ATOM 490 CA VAL A 35 -8.960 0.749 -5.331 1.00 0.00 C ATOM 491 C VAL A 35 -9.861 -0.360 -4.804 1.00 0.00 C ATOM 492 O VAL A 35 -10.829 -0.060 -4.095 1.00 0.00 O ATOM 493 CB VAL A 35 -9.651 1.608 -6.423 1.00 0.00 C ATOM 494 CG1 VAL A 35 -10.000 0.821 -7.690 1.00 0.00 C ATOM 495 CG2 VAL A 35 -10.904 2.335 -5.919 1.00 0.00 C ATOM 0 H VAL A 35 -7.555 0.359 -6.828 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.782 1.350 -4.439 1.00 0.00 H new ATOM 0 HB VAL A 35 -8.898 2.353 -6.681 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.480 1.484 -8.410 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -9.089 0.411 -8.126 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -10.680 0.007 -7.437 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -11.338 2.917 -6.732 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -11.632 1.604 -5.567 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.633 3.001 -5.100 1.00 0.00 H new ATOM 505 N GLU A 36 -9.549 -1.617 -5.092 1.00 0.00 N ATOM 506 CA GLU A 36 -10.304 -2.736 -4.565 1.00 0.00 C ATOM 507 C GLU A 36 -9.481 -3.400 -3.470 1.00 0.00 C ATOM 508 O GLU A 36 -10.021 -3.633 -2.389 1.00 0.00 O ATOM 509 CB GLU A 36 -10.739 -3.678 -5.701 1.00 0.00 C ATOM 510 CG GLU A 36 -11.587 -2.978 -6.788 1.00 0.00 C ATOM 511 CD GLU A 36 -12.746 -2.134 -6.251 1.00 0.00 C ATOM 512 OE1 GLU A 36 -13.411 -2.522 -5.266 1.00 0.00 O ATOM 513 OE2 GLU A 36 -12.947 -0.988 -6.729 1.00 0.00 O ATOM 0 H GLU A 36 -8.770 -1.884 -5.694 1.00 0.00 H new ATOM 0 HA GLU A 36 -11.236 -2.405 -4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -9.852 -4.110 -6.165 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -11.312 -4.504 -5.279 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -10.935 -2.338 -7.382 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -11.989 -3.736 -7.460 1.00 0.00 H new ATOM 520 N LEU A 37 -8.163 -3.580 -3.650 1.00 0.00 N ATOM 521 CA LEU A 37 -7.363 -4.276 -2.655 1.00 0.00 C ATOM 522 C LEU A 37 -7.229 -3.395 -1.441 1.00 0.00 C ATOM 523 O LEU A 37 -7.154 -3.954 -0.363 1.00 0.00 O ATOM 524 CB LEU A 37 -5.984 -4.727 -3.175 1.00 0.00 C ATOM 525 CG LEU A 37 -5.027 -3.580 -3.544 1.00 0.00 C ATOM 526 CD1 LEU A 37 -4.160 -3.013 -2.406 1.00 0.00 C ATOM 527 CD2 LEU A 37 -4.058 -4.044 -4.625 1.00 0.00 C ATOM 0 H LEU A 37 -7.644 -3.255 -4.466 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.882 -5.199 -2.397 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.509 -5.347 -2.414 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.130 -5.356 -4.053 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.701 -2.784 -3.859 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.530 -2.212 -2.793 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.804 -2.620 -1.619 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.531 -3.805 -1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.383 -3.228 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.480 -4.891 -4.256 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.618 -4.345 -5.511 1.00 0.00 H new ATOM 539 N LEU A 38 -7.211 -2.055 -1.544 1.00 0.00 N ATOM 540 CA LEU A 38 -6.952 -1.256 -0.368 1.00 0.00 C ATOM 541 C LEU A 38 -8.237 -1.111 0.445 1.00 0.00 C ATOM 542 O LEU A 38 -8.214 -0.935 1.659 1.00 0.00 O ATOM 543 CB LEU A 38 -6.229 0.072 -0.679 1.00 0.00 C ATOM 544 CG LEU A 38 -7.064 1.368 -0.620 1.00 0.00 C ATOM 545 CD1 LEU A 38 -6.125 2.577 -0.656 1.00 0.00 C ATOM 546 CD2 LEU A 38 -8.074 1.568 -1.746 1.00 0.00 C ATOM 0 H LEU A 38 -7.369 -1.531 -2.405 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.233 -1.780 0.261 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.399 0.175 0.020 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -5.798 -0.005 -1.677 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.633 1.275 0.305 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -6.712 3.495 -0.614 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.450 2.539 0.199 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.544 2.559 -1.578 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.601 2.511 -1.599 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -7.553 1.589 -2.703 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -8.791 0.747 -1.741 1.00 0.00 H new ATOM 558 N VAL A 39 -9.373 -1.190 -0.231 1.00 0.00 N ATOM 559 CA VAL A 39 -10.703 -1.122 0.340 1.00 0.00 C ATOM 560 C VAL A 39 -10.975 -2.440 1.058 1.00 0.00 C ATOM 561 O VAL A 39 -11.383 -2.408 2.215 1.00 0.00 O ATOM 562 CB VAL A 39 -11.658 -0.802 -0.824 1.00 0.00 C ATOM 563 CG1 VAL A 39 -12.996 -1.542 -0.821 1.00 0.00 C ATOM 564 CG2 VAL A 39 -11.928 0.693 -0.945 1.00 0.00 C ATOM 0 H VAL A 39 -9.389 -1.309 -1.244 1.00 0.00 H new ATOM 0 HA VAL A 39 -10.835 -0.344 1.092 1.00 0.00 H new ATOM 0 HB VAL A 39 -11.107 -1.171 -1.689 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -13.583 -1.236 -1.687 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -12.818 -2.616 -0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -13.542 -1.302 0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -12.606 0.874 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -12.381 1.057 -0.023 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -10.990 1.219 -1.120 1.00 0.00 H new ATOM 574 N SER A 40 -10.702 -3.575 0.409 1.00 0.00 N ATOM 575 CA SER A 40 -10.795 -4.884 1.022 1.00 0.00 C ATOM 576 C SER A 40 -9.739 -5.024 2.114 1.00 0.00 C ATOM 577 O SER A 40 -10.032 -5.591 3.169 1.00 0.00 O ATOM 578 CB SER A 40 -10.673 -5.985 -0.043 1.00 0.00 C ATOM 579 OG SER A 40 -11.763 -6.878 0.095 1.00 0.00 O ATOM 0 H SER A 40 -10.408 -3.601 -0.567 1.00 0.00 H new ATOM 0 HA SER A 40 -11.773 -4.996 1.490 1.00 0.00 H new ATOM 0 HB2 SER A 40 -10.669 -5.546 -1.041 1.00 0.00 H new ATOM 0 HB3 SER A 40 -9.730 -6.520 0.074 1.00 0.00 H new ATOM 0 HG SER A 40 -11.695 -7.584 -0.581 1.00 0.00 H new ATOM 585 N ALA A 41 -8.554 -4.424 1.929 1.00 0.00 N ATOM 586 CA ALA A 41 -7.524 -4.532 2.948 1.00 0.00 C ATOM 587 C ALA A 41 -7.793 -3.579 4.109 1.00 0.00 C ATOM 588 O ALA A 41 -7.231 -3.767 5.189 1.00 0.00 O ATOM 589 CB ALA A 41 -6.123 -4.341 2.348 1.00 0.00 C ATOM 0 H ALA A 41 -8.298 -3.877 1.107 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.557 -5.543 3.355 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.375 -4.428 3.136 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.944 -5.105 1.592 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.055 -3.354 1.890 1.00 0.00 H new ATOM 595 N GLY A 42 -8.693 -2.610 3.939 1.00 0.00 N ATOM 596 CA GLY A 42 -9.267 -1.865 5.046 1.00 0.00 C ATOM 597 C GLY A 42 -8.423 -0.647 5.358 1.00 0.00 C ATOM 598 O GLY A 42 -8.405 -0.164 6.489 1.00 0.00 O ATOM 0 H GLY A 42 -9.042 -2.323 3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.283 -1.557 4.797 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -9.334 -2.504 5.927 1.00 0.00 H new ATOM 602 N ILE A 43 -7.743 -0.151 4.330 1.00 0.00 N ATOM 603 CA ILE A 43 -6.938 1.043 4.336 1.00 0.00 C ATOM 604 C ILE A 43 -7.959 2.170 4.237 1.00 0.00 C ATOM 605 O ILE A 43 -7.862 3.097 5.029 1.00 0.00 O ATOM 606 CB ILE A 43 -5.978 1.031 3.122 1.00 0.00 C ATOM 607 CG1 ILE A 43 -4.788 0.046 3.160 1.00 0.00 C ATOM 608 CG2 ILE A 43 -5.361 2.429 2.901 1.00 0.00 C ATOM 609 CD1 ILE A 43 -5.109 -1.360 3.650 1.00 0.00 C ATOM 0 H ILE A 43 -7.746 -0.608 3.418 1.00 0.00 H new ATOM 0 HA ILE A 43 -6.308 1.144 5.220 1.00 0.00 H new ATOM 0 HB ILE A 43 -6.639 0.699 2.321 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -4.368 -0.026 2.157 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.013 0.466 3.801 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -4.689 2.399 2.043 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -6.155 3.152 2.715 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -4.802 2.725 3.789 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -4.203 -1.966 3.636 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.497 -1.311 4.667 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -5.857 -1.811 2.998 1.00 0.00 H new ATOM 621 N SER A 44 -8.963 2.105 3.347 1.00 0.00 N ATOM 622 CA SER A 44 -10.080 3.036 3.427 1.00 0.00 C ATOM 623 C SER A 44 -11.262 2.368 2.749 1.00 0.00 C ATOM 624 O SER A 44 -11.220 2.230 1.534 1.00 0.00 O ATOM 625 CB SER A 44 -9.715 4.369 2.764 1.00 0.00 C ATOM 626 OG SER A 44 -9.319 5.281 3.765 1.00 0.00 O ATOM 0 H SER A 44 -9.017 1.431 2.583 1.00 0.00 H new ATOM 0 HA SER A 44 -10.331 3.268 4.462 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.909 4.225 2.045 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.569 4.762 2.212 1.00 0.00 H new ATOM 0 HG SER A 44 -8.704 5.941 3.382 1.00 0.00 H new ATOM 632 N PRO A 45 -12.294 1.916 3.481 1.00 0.00 N ATOM 633 CA PRO A 45 -13.391 1.160 2.893 1.00 0.00 C ATOM 634 C PRO A 45 -14.428 2.068 2.230 1.00 0.00 C ATOM 635 O PRO A 45 -15.284 1.618 1.466 1.00 0.00 O ATOM 636 CB PRO A 45 -13.996 0.410 4.079 1.00 0.00 C ATOM 637 CG PRO A 45 -13.815 1.382 5.248 1.00 0.00 C ATOM 638 CD PRO A 45 -12.530 2.137 4.902 1.00 0.00 C ATOM 0 HA PRO A 45 -13.049 0.497 2.098 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -15.047 0.175 3.911 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -13.484 -0.535 4.260 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -14.664 2.059 5.340 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -13.725 0.853 6.197 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -12.634 3.200 5.118 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -11.693 1.772 5.496 1.00 0.00 H new ATOM 646 N SER A 46 -14.380 3.358 2.542 1.00 0.00 N ATOM 647 CA SER A 46 -15.369 4.345 2.223 1.00 0.00 C ATOM 648 C SER A 46 -14.976 4.863 0.848 1.00 0.00 C ATOM 649 O SER A 46 -13.979 5.565 0.759 1.00 0.00 O ATOM 650 CB SER A 46 -15.270 5.378 3.334 1.00 0.00 C ATOM 651 OG SER A 46 -15.485 4.806 4.615 1.00 0.00 O ATOM 0 H SER A 46 -13.593 3.753 3.057 1.00 0.00 H new ATOM 0 HA SER A 46 -16.404 4.007 2.173 1.00 0.00 H new ATOM 0 HB2 SER A 46 -14.286 5.846 3.307 1.00 0.00 H new ATOM 0 HB3 SER A 46 -16.003 6.166 3.162 1.00 0.00 H new ATOM 0 HG SER A 46 -15.411 5.502 5.301 1.00 0.00 H new ATOM 657 N LYS A 47 -15.681 4.502 -0.229 1.00 0.00 N ATOM 658 CA LYS A 47 -15.163 4.666 -1.595 1.00 0.00 C ATOM 659 C LYS A 47 -14.643 6.064 -1.979 1.00 0.00 C ATOM 660 O LYS A 47 -13.675 6.138 -2.733 1.00 0.00 O ATOM 661 CB LYS A 47 -16.166 4.107 -2.623 1.00 0.00 C ATOM 662 CG LYS A 47 -15.498 3.395 -3.816 1.00 0.00 C ATOM 663 CD LYS A 47 -14.781 2.095 -3.406 1.00 0.00 C ATOM 664 CE LYS A 47 -14.410 1.257 -4.634 1.00 0.00 C ATOM 665 NZ LYS A 47 -13.756 -0.013 -4.266 1.00 0.00 N ATOM 0 H LYS A 47 -16.614 4.093 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 47 -14.250 4.071 -1.613 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -16.835 3.407 -2.122 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -16.782 4.924 -2.998 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -16.254 3.167 -4.567 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -14.780 4.070 -4.281 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.881 2.336 -2.841 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.425 1.513 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -15.309 1.046 -5.213 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.745 1.833 -5.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -13.915 -0.715 -5.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.735 0.144 -4.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -14.157 -0.364 -3.373 1.00 0.00 H new ATOM 679 N ARG A 48 -15.203 7.164 -1.452 1.00 0.00 N ATOM 680 CA ARG A 48 -14.589 8.495 -1.616 1.00 0.00 C ATOM 681 C ARG A 48 -13.203 8.500 -0.985 1.00 0.00 C ATOM 682 O ARG A 48 -12.221 8.880 -1.629 1.00 0.00 O ATOM 683 CB ARG A 48 -15.480 9.612 -1.021 1.00 0.00 C ATOM 684 CG ARG A 48 -14.880 11.033 -1.150 1.00 0.00 C ATOM 685 CD ARG A 48 -14.002 11.497 0.035 1.00 0.00 C ATOM 686 NE ARG A 48 -13.299 12.753 -0.283 1.00 0.00 N ATOM 687 CZ ARG A 48 -12.059 13.094 0.108 1.00 0.00 C ATOM 688 NH1 ARG A 48 -11.414 12.433 1.063 1.00 0.00 N ATOM 689 NH2 ARG A 48 -11.454 14.112 -0.491 1.00 0.00 N ATOM 0 H ARG A 48 -16.070 7.162 -0.914 1.00 0.00 H new ATOM 0 HA ARG A 48 -14.493 8.703 -2.682 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -16.450 9.592 -1.518 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -15.657 9.398 0.033 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -14.282 11.074 -2.060 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -15.697 11.743 -1.273 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -14.624 11.639 0.919 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -13.275 10.722 0.278 1.00 0.00 H new ATOM 0 HE ARG A 48 -13.803 13.430 -0.856 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -11.859 11.640 1.524 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.473 12.719 1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.930 14.622 -1.235 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -10.513 14.385 -0.207 1.00 0.00 H new ATOM 703 N GLN A 49 -13.151 8.120 0.296 1.00 0.00 N ATOM 704 CA GLN A 49 -11.912 8.128 1.037 1.00 0.00 C ATOM 705 C GLN A 49 -10.923 7.264 0.322 1.00 0.00 C ATOM 706 O GLN A 49 -9.830 7.732 0.086 1.00 0.00 O ATOM 707 CB GLN A 49 -12.050 7.619 2.482 1.00 0.00 C ATOM 708 CG GLN A 49 -10.941 8.203 3.387 1.00 0.00 C ATOM 709 CD GLN A 49 -10.633 9.677 3.111 1.00 0.00 C ATOM 710 OE1 GLN A 49 -11.506 10.540 3.206 1.00 0.00 O ATOM 711 NE2 GLN A 49 -9.436 9.991 2.643 1.00 0.00 N ATOM 0 H GLN A 49 -13.961 7.805 0.831 1.00 0.00 H new ATOM 0 HA GLN A 49 -11.587 9.167 1.096 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -13.028 7.895 2.876 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -11.997 6.530 2.494 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.240 8.093 4.429 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -10.030 7.619 3.253 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -8.715 9.274 2.565 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -9.235 10.950 2.360 1.00 0.00 H new ATOM 720 N ALA A 50 -11.339 6.058 -0.057 1.00 0.00 N ATOM 721 CA ALA A 50 -10.534 5.133 -0.815 1.00 0.00 C ATOM 722 C ALA A 50 -9.886 5.847 -1.997 1.00 0.00 C ATOM 723 O ALA A 50 -8.663 5.925 -2.085 1.00 0.00 O ATOM 724 CB ALA A 50 -11.389 3.962 -1.304 1.00 0.00 C ATOM 0 H ALA A 50 -12.268 5.699 0.165 1.00 0.00 H new ATOM 0 HA ALA A 50 -9.748 4.742 -0.169 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -10.768 3.272 -1.875 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -11.817 3.442 -0.447 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -12.192 4.338 -1.939 1.00 0.00 H new ATOM 730 N ARG A 51 -10.705 6.383 -2.909 1.00 0.00 N ATOM 731 CA ARG A 51 -10.166 6.975 -4.120 1.00 0.00 C ATOM 732 C ARG A 51 -9.274 8.174 -3.839 1.00 0.00 C ATOM 733 O ARG A 51 -8.370 8.368 -4.641 1.00 0.00 O ATOM 734 CB ARG A 51 -11.249 7.232 -5.182 1.00 0.00 C ATOM 735 CG ARG A 51 -11.618 5.913 -5.888 1.00 0.00 C ATOM 736 CD ARG A 51 -12.472 6.125 -7.145 1.00 0.00 C ATOM 737 NE ARG A 51 -12.673 4.865 -7.892 1.00 0.00 N ATOM 738 CZ ARG A 51 -11.961 4.410 -8.936 1.00 0.00 C ATOM 739 NH1 ARG A 51 -10.921 5.090 -9.412 1.00 0.00 N ATOM 740 NH2 ARG A 51 -12.279 3.247 -9.499 1.00 0.00 N ATOM 0 H ARG A 51 -11.721 6.415 -2.828 1.00 0.00 H new ATOM 0 HA ARG A 51 -9.504 6.233 -4.565 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -12.134 7.663 -4.714 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -10.889 7.957 -5.912 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -10.704 5.385 -6.161 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -12.159 5.273 -5.191 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -13.440 6.538 -6.861 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -11.990 6.858 -7.792 1.00 0.00 H new ATOM 0 HE ARG A 51 -13.442 4.273 -7.578 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.651 5.975 -8.983 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -10.394 4.726 -10.206 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.062 2.703 -9.138 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -11.739 2.900 -10.292 1.00 0.00 H new ATOM 754 N GLU A 52 -9.414 8.911 -2.732 1.00 0.00 N ATOM 755 CA GLU A 52 -8.380 9.897 -2.388 1.00 0.00 C ATOM 756 C GLU A 52 -7.162 9.274 -1.732 1.00 0.00 C ATOM 757 O GLU A 52 -6.036 9.651 -2.037 1.00 0.00 O ATOM 758 CB GLU A 52 -8.937 11.001 -1.488 1.00 0.00 C ATOM 759 CG GLU A 52 -7.867 12.043 -1.091 1.00 0.00 C ATOM 760 CD GLU A 52 -8.422 12.923 0.024 1.00 0.00 C ATOM 761 OE1 GLU A 52 -8.655 12.404 1.145 1.00 0.00 O ATOM 762 OE2 GLU A 52 -8.741 14.103 -0.244 1.00 0.00 O ATOM 0 H GLU A 52 -10.198 8.851 -2.082 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.061 10.330 -3.336 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.756 11.505 -2.002 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.354 10.553 -0.586 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -6.958 11.542 -0.758 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -7.597 12.653 -1.953 1.00 0.00 H new ATOM 769 N ASP A 53 -7.357 8.316 -0.842 1.00 0.00 N ATOM 770 CA ASP A 53 -6.300 7.618 -0.153 1.00 0.00 C ATOM 771 C ASP A 53 -5.427 6.842 -1.120 1.00 0.00 C ATOM 772 O ASP A 53 -4.339 6.408 -0.753 1.00 0.00 O ATOM 773 CB ASP A 53 -6.921 6.699 0.897 1.00 0.00 C ATOM 774 CG ASP A 53 -7.013 7.331 2.289 1.00 0.00 C ATOM 775 OD1 ASP A 53 -6.926 8.579 2.413 1.00 0.00 O ATOM 776 OD2 ASP A 53 -7.187 6.556 3.254 1.00 0.00 O ATOM 0 H ASP A 53 -8.288 7.997 -0.575 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.651 8.342 0.340 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.921 6.412 0.571 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.332 5.784 0.961 1.00 0.00 H new ATOM 781 N ILE A 54 -5.923 6.691 -2.342 1.00 0.00 N ATOM 782 CA ILE A 54 -5.202 6.306 -3.512 1.00 0.00 C ATOM 783 C ILE A 54 -4.661 7.544 -4.187 1.00 0.00 C ATOM 784 O ILE A 54 -3.454 7.632 -4.275 1.00 0.00 O ATOM 785 CB ILE A 54 -6.105 5.539 -4.488 1.00 0.00 C ATOM 786 CG1 ILE A 54 -6.642 4.251 -3.858 1.00 0.00 C ATOM 787 CG2 ILE A 54 -5.393 5.245 -5.819 1.00 0.00 C ATOM 788 CD1 ILE A 54 -7.841 3.761 -4.652 1.00 0.00 C ATOM 0 H ILE A 54 -6.912 6.850 -2.537 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.383 5.649 -3.219 1.00 0.00 H new ATOM 0 HB ILE A 54 -6.955 6.185 -4.709 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -5.864 3.488 -3.846 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -6.928 4.432 -2.822 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.068 4.701 -6.480 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -5.101 6.183 -6.291 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -4.505 4.642 -5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.224 2.844 -4.204 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.620 4.523 -4.641 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.540 3.564 -5.681 1.00 0.00 H new ATOM 800 N GLN A 55 -5.509 8.450 -4.697 1.00 0.00 N ATOM 801 CA GLN A 55 -5.134 9.521 -5.614 1.00 0.00 C ATOM 802 C GLN A 55 -4.137 10.485 -4.994 1.00 0.00 C ATOM 803 O GLN A 55 -3.593 11.323 -5.710 1.00 0.00 O ATOM 804 CB GLN A 55 -6.366 10.321 -6.066 1.00 0.00 C ATOM 805 CG GLN A 55 -7.131 9.666 -7.217 1.00 0.00 C ATOM 806 CD GLN A 55 -8.407 10.445 -7.547 1.00 0.00 C ATOM 807 OE1 GLN A 55 -8.417 11.671 -7.596 1.00 0.00 O ATOM 808 NE2 GLN A 55 -9.520 9.773 -7.791 1.00 0.00 N ATOM 0 H GLN A 55 -6.504 8.452 -4.472 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.669 9.035 -6.472 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -7.039 10.446 -5.218 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -6.050 11.318 -6.372 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.493 9.617 -8.100 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -7.386 8.640 -6.950 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -9.519 8.754 -7.752 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -10.379 10.274 -8.018 1.00 0.00 H new ATOM 817 N ASN A 56 -3.899 10.409 -3.689 1.00 0.00 N ATOM 818 CA ASN A 56 -2.857 11.171 -3.067 1.00 0.00 C ATOM 819 C ASN A 56 -1.519 10.495 -3.216 1.00 0.00 C ATOM 820 O ASN A 56 -1.319 9.373 -2.767 1.00 0.00 O ATOM 821 CB ASN A 56 -3.132 11.365 -1.561 1.00 0.00 C ATOM 822 CG ASN A 56 -4.223 12.346 -1.144 1.00 0.00 C ATOM 823 OD1 ASN A 56 -4.546 12.427 0.043 1.00 0.00 O ATOM 824 ND2 ASN A 56 -4.780 13.146 -2.035 1.00 0.00 N ATOM 0 H ASN A 56 -4.427 9.817 -3.048 1.00 0.00 H new ATOM 0 HA ASN A 56 -2.838 12.139 -3.568 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -3.383 10.391 -1.141 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.201 11.684 -1.092 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -5.477 13.830 -1.741 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -4.513 13.080 -3.017 1.00 0.00 H new ATOM 831 N GLY A 57 -0.528 11.269 -3.644 1.00 0.00 N ATOM 832 CA GLY A 57 0.887 10.955 -3.617 1.00 0.00 C ATOM 833 C GLY A 57 1.445 10.982 -2.195 1.00 0.00 C ATOM 834 O GLY A 57 2.567 11.420 -1.958 1.00 0.00 O ATOM 0 H GLY A 57 -0.708 12.190 -4.044 1.00 0.00 H new ATOM 0 HA2 GLY A 57 1.049 9.969 -4.053 1.00 0.00 H new ATOM 0 HA3 GLY A 57 1.430 11.670 -4.235 1.00 0.00 H new ATOM 838 N ALA A 58 0.631 10.539 -1.253 1.00 0.00 N ATOM 839 CA ALA A 58 0.977 10.178 0.096 1.00 0.00 C ATOM 840 C ALA A 58 0.701 8.692 0.356 1.00 0.00 C ATOM 841 O ALA A 58 0.934 8.260 1.477 1.00 0.00 O ATOM 842 CB ALA A 58 0.223 11.089 1.056 1.00 0.00 C ATOM 0 H ALA A 58 -0.365 10.416 -1.434 1.00 0.00 H new ATOM 0 HA ALA A 58 2.046 10.318 0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 58 0.477 10.825 2.083 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.502 12.126 0.868 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -0.850 10.969 0.905 1.00 0.00 H new ATOM 848 N ILE A 59 0.175 7.897 -0.587 1.00 0.00 N ATOM 849 CA ILE A 59 0.219 6.438 -0.511 1.00 0.00 C ATOM 850 C ILE A 59 1.493 6.002 -1.244 1.00 0.00 C ATOM 851 O ILE A 59 1.577 5.867 -2.468 1.00 0.00 O ATOM 852 CB ILE A 59 -1.161 5.901 -0.864 1.00 0.00 C ATOM 853 CG1 ILE A 59 -1.341 4.409 -0.665 1.00 0.00 C ATOM 854 CG2 ILE A 59 -1.679 6.396 -2.216 1.00 0.00 C ATOM 855 CD1 ILE A 59 -0.528 3.620 -1.666 1.00 0.00 C ATOM 0 H ILE A 59 -0.292 8.252 -1.422 1.00 0.00 H new ATOM 0 HA ILE A 59 0.355 5.975 0.466 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.811 6.347 -0.111 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -1.041 4.136 0.347 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -2.395 4.151 -0.765 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -2.667 5.975 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -1.745 7.484 -2.204 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -0.995 6.083 -3.005 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -0.678 2.554 -1.497 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.847 3.876 -2.676 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.528 3.861 -1.547 1.00 0.00 H new ATOM 867 N TYR A 60 2.543 5.885 -0.434 1.00 0.00 N ATOM 868 CA TYR A 60 3.826 5.337 -0.782 1.00 0.00 C ATOM 869 C TYR A 60 3.724 3.818 -0.722 1.00 0.00 C ATOM 870 O TYR A 60 3.734 3.229 0.359 1.00 0.00 O ATOM 871 CB TYR A 60 4.908 5.913 0.138 1.00 0.00 C ATOM 872 CG TYR A 60 4.929 7.426 0.268 1.00 0.00 C ATOM 873 CD1 TYR A 60 4.157 8.062 1.263 1.00 0.00 C ATOM 874 CD2 TYR A 60 5.753 8.200 -0.570 1.00 0.00 C ATOM 875 CE1 TYR A 60 4.208 9.456 1.422 1.00 0.00 C ATOM 876 CE2 TYR A 60 5.801 9.598 -0.424 1.00 0.00 C ATOM 877 CZ TYR A 60 5.027 10.231 0.574 1.00 0.00 C ATOM 878 OH TYR A 60 5.158 11.563 0.792 1.00 0.00 O ATOM 0 H TYR A 60 2.505 6.192 0.538 1.00 0.00 H new ATOM 0 HA TYR A 60 4.117 5.613 -1.796 1.00 0.00 H new ATOM 0 HB2 TYR A 60 4.780 5.484 1.132 1.00 0.00 H new ATOM 0 HB3 TYR A 60 5.881 5.585 -0.227 1.00 0.00 H new ATOM 0 HD1 TYR A 60 3.522 7.472 1.907 1.00 0.00 H new ATOM 0 HD2 TYR A 60 6.351 7.718 -1.329 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.621 9.934 2.192 1.00 0.00 H new ATOM 0 HE2 TYR A 60 6.430 10.188 -1.075 1.00 0.00 H new ATOM 0 HH TYR A 60 5.758 11.947 0.119 1.00 0.00 H new ATOM 888 N VAL A 61 3.583 3.163 -1.868 1.00 0.00 N ATOM 889 CA VAL A 61 3.582 1.711 -1.942 1.00 0.00 C ATOM 890 C VAL A 61 5.029 1.288 -1.898 1.00 0.00 C ATOM 891 O VAL A 61 5.828 1.828 -2.658 1.00 0.00 O ATOM 892 CB VAL A 61 2.927 1.194 -3.229 1.00 0.00 C ATOM 893 CG1 VAL A 61 2.736 -0.319 -3.113 1.00 0.00 C ATOM 894 CG2 VAL A 61 1.561 1.832 -3.403 1.00 0.00 C ATOM 0 H VAL A 61 3.466 3.625 -2.770 1.00 0.00 H new ATOM 0 HA VAL A 61 3.003 1.297 -1.117 1.00 0.00 H new ATOM 0 HB VAL A 61 3.563 1.440 -4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.271 -0.698 -4.023 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.705 -0.798 -2.974 1.00 0.00 H new ATOM 0 HG13 VAL A 61 2.096 -0.541 -2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.100 1.461 -4.319 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.930 1.579 -2.551 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.670 2.915 -3.464 1.00 0.00 H new ATOM 904 N ASN A 62 5.413 0.360 -1.022 1.00 0.00 N ATOM 905 CA ASN A 62 6.805 -0.057 -0.903 1.00 0.00 C ATOM 906 C ASN A 62 7.773 1.037 -0.428 1.00 0.00 C ATOM 907 O ASN A 62 8.913 0.730 -0.084 1.00 0.00 O ATOM 908 CB ASN A 62 7.273 -0.835 -2.137 1.00 0.00 C ATOM 909 CG ASN A 62 6.648 -2.209 -2.098 1.00 0.00 C ATOM 910 OD1 ASN A 62 5.789 -2.491 -3.046 1.00 0.00 O flip ATOM 911 ND2 ASN A 62 6.862 -3.000 -1.191 1.00 0.00 N flip ATOM 0 H ASN A 62 4.776 -0.117 -0.384 1.00 0.00 H new ATOM 0 HA ASN A 62 6.832 -0.762 -0.072 1.00 0.00 H new ATOM 0 HB2 ASN A 62 6.983 -0.312 -3.048 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.360 -0.913 -2.147 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.534 -2.767 -0.459 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.369 -3.893 -1.166 1.00 0.00 H new ATOM 918 N GLY A 63 7.320 2.288 -0.293 1.00 0.00 N ATOM 919 CA GLY A 63 8.154 3.463 -0.070 1.00 0.00 C ATOM 920 C GLY A 63 8.167 4.416 -1.266 1.00 0.00 C ATOM 921 O GLY A 63 8.888 5.409 -1.233 1.00 0.00 O ATOM 0 H GLY A 63 6.326 2.513 -0.338 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.794 3.996 0.810 1.00 0.00 H new ATOM 0 HA3 GLY A 63 9.174 3.144 0.145 1.00 0.00 H new ATOM 925 N GLU A 64 7.382 4.152 -2.310 1.00 0.00 N ATOM 926 CA GLU A 64 7.377 4.890 -3.558 1.00 0.00 C ATOM 927 C GLU A 64 5.959 5.429 -3.723 1.00 0.00 C ATOM 928 O GLU A 64 5.001 4.659 -3.701 1.00 0.00 O ATOM 929 CB GLU A 64 7.800 3.939 -4.681 1.00 0.00 C ATOM 930 CG GLU A 64 7.984 4.629 -6.036 1.00 0.00 C ATOM 931 CD GLU A 64 9.367 5.252 -6.228 1.00 0.00 C ATOM 932 OE1 GLU A 64 9.843 6.022 -5.360 1.00 0.00 O ATOM 933 OE2 GLU A 64 9.973 5.026 -7.301 1.00 0.00 O ATOM 0 H GLU A 64 6.708 3.386 -2.302 1.00 0.00 H new ATOM 0 HA GLU A 64 8.076 5.726 -3.579 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.735 3.453 -4.401 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.051 3.154 -4.782 1.00 0.00 H new ATOM 0 HG2 GLU A 64 7.809 3.903 -6.830 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.227 5.406 -6.143 1.00 0.00 H new ATOM 940 N ARG A 65 5.799 6.750 -3.785 1.00 0.00 N ATOM 941 CA ARG A 65 4.523 7.439 -3.945 1.00 0.00 C ATOM 942 C ARG A 65 3.921 6.967 -5.256 1.00 0.00 C ATOM 943 O ARG A 65 4.429 7.332 -6.315 1.00 0.00 O ATOM 944 CB ARG A 65 4.778 8.960 -3.872 1.00 0.00 C ATOM 945 CG ARG A 65 3.796 9.844 -4.649 1.00 0.00 C ATOM 946 CD ARG A 65 4.396 10.420 -5.933 1.00 0.00 C ATOM 947 NE ARG A 65 5.242 11.587 -5.649 1.00 0.00 N ATOM 948 CZ ARG A 65 5.450 12.618 -6.468 1.00 0.00 C ATOM 949 NH1 ARG A 65 5.018 12.572 -7.721 1.00 0.00 N ATOM 950 NH2 ARG A 65 6.081 13.687 -6.008 1.00 0.00 N ATOM 0 H ARG A 65 6.588 7.394 -3.722 1.00 0.00 H new ATOM 0 HA ARG A 65 3.805 7.214 -3.156 1.00 0.00 H new ATOM 0 HB2 ARG A 65 4.757 9.262 -2.825 1.00 0.00 H new ATOM 0 HB3 ARG A 65 5.784 9.158 -4.241 1.00 0.00 H new ATOM 0 HG2 ARG A 65 2.910 9.260 -4.899 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.468 10.663 -4.009 1.00 0.00 H new ATOM 0 HD2 ARG A 65 4.986 9.654 -6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 65 3.595 10.706 -6.615 1.00 0.00 H new ATOM 0 HE ARG A 65 5.712 11.610 -4.744 1.00 0.00 H new ATOM 0 HH11 ARG A 65 4.525 11.746 -8.060 1.00 0.00 H new ATOM 0 HH12 ARG A 65 5.179 13.363 -8.345 1.00 0.00 H new ATOM 0 HH21 ARG A 65 6.400 13.713 -5.040 1.00 0.00 H new ATOM 0 HH22 ARG A 65 6.248 14.484 -6.622 1.00 0.00 H new ATOM 964 N LEU A 66 2.861 6.163 -5.220 1.00 0.00 N ATOM 965 CA LEU A 66 2.317 5.541 -6.410 1.00 0.00 C ATOM 966 C LEU A 66 0.795 5.570 -6.251 1.00 0.00 C ATOM 967 O LEU A 66 0.200 4.666 -5.673 1.00 0.00 O ATOM 968 CB LEU A 66 2.932 4.156 -6.568 1.00 0.00 C ATOM 969 CG LEU A 66 4.418 4.125 -6.966 1.00 0.00 C ATOM 970 CD1 LEU A 66 4.828 2.663 -6.942 1.00 0.00 C ATOM 971 CD2 LEU A 66 4.786 4.719 -8.332 1.00 0.00 C ATOM 0 H LEU A 66 2.360 5.929 -4.363 1.00 0.00 H new ATOM 0 HA LEU A 66 2.560 6.061 -7.337 1.00 0.00 H new ATOM 0 HB2 LEU A 66 2.816 3.618 -5.627 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.362 3.610 -7.320 1.00 0.00 H new ATOM 0 HG LEU A 66 4.943 4.765 -6.257 1.00 0.00 H new ATOM 0 HD11 LEU A 66 5.879 2.575 -7.217 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.681 2.260 -5.940 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.219 2.103 -7.651 1.00 0.00 H new ATOM 0 HD21 LEU A 66 5.861 4.634 -8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 66 4.261 4.176 -9.118 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.497 5.770 -8.362 1.00 0.00 H new ATOM 983 N GLN A 67 0.169 6.661 -6.694 1.00 0.00 N ATOM 984 CA GLN A 67 -1.252 6.946 -6.507 1.00 0.00 C ATOM 985 C GLN A 67 -2.134 6.469 -7.673 1.00 0.00 C ATOM 986 O GLN A 67 -3.212 7.029 -7.884 1.00 0.00 O ATOM 987 CB GLN A 67 -1.466 8.432 -6.111 1.00 0.00 C ATOM 988 CG GLN A 67 -0.892 9.633 -6.857 1.00 0.00 C ATOM 989 CD GLN A 67 -0.853 9.462 -8.381 1.00 0.00 C ATOM 990 OE1 GLN A 67 -1.837 9.705 -9.075 1.00 0.00 O ATOM 991 NE2 GLN A 67 0.258 9.033 -8.959 1.00 0.00 N ATOM 0 H GLN A 67 0.655 7.395 -7.210 1.00 0.00 H new ATOM 0 HA GLN A 67 -1.599 6.345 -5.667 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.545 8.582 -6.089 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -1.111 8.521 -5.084 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -1.486 10.515 -6.616 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.119 9.822 -6.497 1.00 0.00 H new ATOM 0 HE21 GLN A 67 1.081 8.828 -8.393 1.00 0.00 H new ATOM 0 HE22 GLN A 67 0.291 8.907 -9.971 1.00 0.00 H new ATOM 1000 N ASP A 68 -1.723 5.460 -8.454 1.00 0.00 N ATOM 1001 CA ASP A 68 -2.453 5.076 -9.661 1.00 0.00 C ATOM 1002 C ASP A 68 -2.537 3.568 -9.902 1.00 0.00 C ATOM 1003 O ASP A 68 -1.675 2.805 -9.472 1.00 0.00 O ATOM 1004 CB ASP A 68 -1.819 5.777 -10.862 1.00 0.00 C ATOM 1005 CG ASP A 68 -2.833 5.808 -11.992 1.00 0.00 C ATOM 1006 OD1 ASP A 68 -3.784 6.618 -11.889 1.00 0.00 O ATOM 1007 OD2 ASP A 68 -2.738 4.986 -12.921 1.00 0.00 O ATOM 0 H ASP A 68 -0.891 4.899 -8.269 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.486 5.394 -9.519 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.519 6.790 -10.594 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -0.918 5.250 -11.176 1.00 0.00 H new ATOM 1012 N VAL A 69 -3.570 3.148 -10.631 1.00 0.00 N ATOM 1013 CA VAL A 69 -3.815 1.786 -11.102 1.00 0.00 C ATOM 1014 C VAL A 69 -2.693 1.322 -12.025 1.00 0.00 C ATOM 1015 O VAL A 69 -2.160 0.230 -11.855 1.00 0.00 O ATOM 1016 CB VAL A 69 -5.220 1.768 -11.743 1.00 0.00 C ATOM 1017 CG1 VAL A 69 -5.393 2.656 -12.985 1.00 0.00 C ATOM 1018 CG2 VAL A 69 -5.702 0.356 -12.061 1.00 0.00 C ATOM 0 H VAL A 69 -4.305 3.791 -10.927 1.00 0.00 H new ATOM 0 HA VAL A 69 -3.807 1.065 -10.285 1.00 0.00 H new ATOM 0 HB VAL A 69 -5.844 2.204 -10.963 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -6.415 2.569 -13.355 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.189 3.694 -12.721 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.698 2.336 -13.761 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -6.694 0.403 -12.510 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.010 -0.116 -12.759 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -5.746 -0.229 -11.142 1.00 0.00 H new ATOM 1028 N GLY A 70 -2.255 2.195 -12.927 1.00 0.00 N ATOM 1029 CA GLY A 70 -1.116 1.930 -13.787 1.00 0.00 C ATOM 1030 C GLY A 70 0.200 1.887 -13.021 1.00 0.00 C ATOM 1031 O GLY A 70 1.229 1.543 -13.602 1.00 0.00 O ATOM 0 H GLY A 70 -2.684 3.108 -13.079 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -1.265 0.979 -14.299 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -1.059 2.700 -14.556 1.00 0.00 H new ATOM 1035 N ALA A 71 0.200 2.280 -11.747 1.00 0.00 N ATOM 1036 CA ALA A 71 1.320 2.117 -10.844 1.00 0.00 C ATOM 1037 C ALA A 71 1.250 0.801 -10.066 1.00 0.00 C ATOM 1038 O ALA A 71 2.274 0.112 -10.015 1.00 0.00 O ATOM 1039 CB ALA A 71 1.499 3.350 -9.965 1.00 0.00 C ATOM 0 H ALA A 71 -0.604 2.731 -11.311 1.00 0.00 H new ATOM 0 HA ALA A 71 2.229 2.038 -11.441 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.347 3.200 -9.297 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.682 4.222 -10.594 1.00 0.00 H new ATOM 0 HB3 ALA A 71 0.596 3.511 -9.376 1.00 0.00 H new ATOM 1045 N ILE A 72 0.117 0.405 -9.458 1.00 0.00 N ATOM 1046 CA ILE A 72 0.009 -0.863 -8.739 1.00 0.00 C ATOM 1047 C ILE A 72 -1.329 -1.574 -8.962 1.00 0.00 C ATOM 1048 O ILE A 72 -2.395 -0.969 -8.798 1.00 0.00 O ATOM 1049 CB ILE A 72 0.211 -0.661 -7.231 1.00 0.00 C ATOM 1050 CG1 ILE A 72 1.220 0.439 -6.869 1.00 0.00 C ATOM 1051 CG2 ILE A 72 0.685 -1.984 -6.604 1.00 0.00 C ATOM 1052 CD1 ILE A 72 0.507 1.756 -6.560 1.00 0.00 C ATOM 0 H ILE A 72 -0.741 0.956 -9.455 1.00 0.00 H new ATOM 0 HA ILE A 72 0.798 -1.495 -9.147 1.00 0.00 H new ATOM 0 HB ILE A 72 -0.754 -0.342 -6.838 1.00 0.00 H new ATOM 0 HG12 ILE A 72 1.808 0.128 -6.005 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.917 0.584 -7.694 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.830 -1.847 -5.532 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.066 -2.756 -6.773 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.626 -2.287 -7.062 1.00 0.00 H new ATOM 0 HD11 ILE A 72 1.244 2.518 -6.307 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -0.060 2.076 -7.434 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -0.172 1.614 -5.719 1.00 0.00 H new ATOM 1064 N LEU A 73 -1.247 -2.889 -9.207 1.00 0.00 N ATOM 1065 CA LEU A 73 -2.317 -3.839 -9.125 1.00 0.00 C ATOM 1066 C LEU A 73 -1.902 -4.741 -7.955 1.00 0.00 C ATOM 1067 O LEU A 73 -2.024 -4.323 -6.808 1.00 0.00 O ATOM 1068 CB LEU A 73 -2.573 -4.505 -10.488 1.00 0.00 C ATOM 1069 CG LEU A 73 -2.924 -3.482 -11.596 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -3.036 -4.170 -12.954 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -4.232 -2.746 -11.342 1.00 0.00 C ATOM 0 H LEU A 73 -0.367 -3.325 -9.484 1.00 0.00 H new ATOM 0 HA LEU A 73 -3.303 -3.424 -8.916 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -1.688 -5.067 -10.785 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -3.388 -5.222 -10.390 1.00 0.00 H new ATOM 0 HG LEU A 73 -2.110 -2.758 -11.588 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -3.283 -3.432 -13.717 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -2.086 -4.643 -13.202 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -3.819 -4.927 -12.915 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.419 -2.045 -12.155 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.049 -3.465 -11.288 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -4.166 -2.201 -10.401 1.00 0.00 H new ATOM 1083 N THR A 74 -1.289 -5.900 -8.188 1.00 0.00 N ATOM 1084 CA THR A 74 -0.944 -6.865 -7.141 1.00 0.00 C ATOM 1085 C THR A 74 0.507 -6.782 -6.657 1.00 0.00 C ATOM 1086 O THR A 74 1.300 -5.947 -7.090 1.00 0.00 O ATOM 1087 CB THR A 74 -1.289 -8.269 -7.663 1.00 0.00 C ATOM 1088 OG1 THR A 74 -1.057 -8.351 -9.061 1.00 0.00 O ATOM 1089 CG2 THR A 74 -2.745 -8.531 -7.320 1.00 0.00 C ATOM 0 H THR A 74 -1.013 -6.201 -9.123 1.00 0.00 H new ATOM 0 HA THR A 74 -1.530 -6.624 -6.254 1.00 0.00 H new ATOM 0 HB THR A 74 -0.657 -9.026 -7.198 1.00 0.00 H new ATOM 0 HG1 THR A 74 -1.280 -9.251 -9.377 1.00 0.00 H new ATOM 0 HG21 THR A 74 -3.030 -9.521 -7.675 1.00 0.00 H new ATOM 0 HG22 THR A 74 -2.879 -8.480 -6.239 1.00 0.00 H new ATOM 0 HG23 THR A 74 -3.373 -7.779 -7.799 1.00 0.00 H new ATOM 1097 N ALA A 75 0.886 -7.682 -5.744 1.00 0.00 N ATOM 1098 CA ALA A 75 2.252 -7.779 -5.264 1.00 0.00 C ATOM 1099 C ALA A 75 3.245 -8.156 -6.357 1.00 0.00 C ATOM 1100 O ALA A 75 4.349 -7.617 -6.353 1.00 0.00 O ATOM 1101 CB ALA A 75 2.327 -8.781 -4.118 1.00 0.00 C ATOM 0 H ALA A 75 0.250 -8.359 -5.323 1.00 0.00 H new ATOM 0 HA ALA A 75 2.537 -6.787 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 75 3.355 -8.850 -3.762 1.00 0.00 H new ATOM 0 HB2 ALA A 75 1.682 -8.451 -3.304 1.00 0.00 H new ATOM 0 HB3 ALA A 75 1.998 -9.759 -4.468 1.00 0.00 H new ATOM 1107 N GLU A 76 2.881 -9.039 -7.290 1.00 0.00 N ATOM 1108 CA GLU A 76 3.743 -9.361 -8.433 1.00 0.00 C ATOM 1109 C GLU A 76 3.800 -8.199 -9.424 1.00 0.00 C ATOM 1110 O GLU A 76 4.736 -8.113 -10.218 1.00 0.00 O ATOM 1111 CB GLU A 76 3.387 -10.698 -9.134 1.00 0.00 C ATOM 1112 CG GLU A 76 2.101 -11.396 -8.661 1.00 0.00 C ATOM 1113 CD GLU A 76 1.852 -12.819 -9.181 1.00 0.00 C ATOM 1114 OE1 GLU A 76 2.731 -13.418 -9.845 1.00 0.00 O ATOM 1115 OE2 GLU A 76 0.766 -13.359 -8.874 1.00 0.00 O ATOM 0 H GLU A 76 1.995 -9.545 -7.278 1.00 0.00 H new ATOM 0 HA GLU A 76 4.741 -9.512 -8.022 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.300 -10.510 -10.204 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.220 -11.388 -8.998 1.00 0.00 H new ATOM 0 HG2 GLU A 76 2.115 -11.430 -7.572 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.252 -10.776 -8.950 1.00 0.00 H new ATOM 1122 N HIS A 77 2.850 -7.267 -9.347 1.00 0.00 N ATOM 1123 CA HIS A 77 2.886 -6.035 -10.114 1.00 0.00 C ATOM 1124 C HIS A 77 3.797 -5.007 -9.435 1.00 0.00 C ATOM 1125 O HIS A 77 4.156 -4.025 -10.088 1.00 0.00 O ATOM 1126 CB HIS A 77 1.456 -5.515 -10.255 1.00 0.00 C ATOM 1127 CG HIS A 77 1.268 -4.321 -11.144 1.00 0.00 C ATOM 1128 ND1 HIS A 77 1.616 -3.031 -10.833 1.00 0.00 N ATOM 1129 CD2 HIS A 77 0.406 -4.264 -12.197 1.00 0.00 C ATOM 1130 CE1 HIS A 77 0.907 -2.216 -11.624 1.00 0.00 C ATOM 1131 NE2 HIS A 77 0.209 -2.921 -12.522 1.00 0.00 N ATOM 0 H HIS A 77 2.031 -7.352 -8.745 1.00 0.00 H new ATOM 0 HA HIS A 77 3.299 -6.218 -11.106 1.00 0.00 H new ATOM 0 HB2 HIS A 77 0.833 -6.325 -10.634 1.00 0.00 H new ATOM 0 HB3 HIS A 77 1.084 -5.264 -9.262 1.00 0.00 H new ATOM 0 HD1 HIS A 77 2.293 -2.744 -10.126 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -0.046 -5.110 -12.694 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.899 -1.139 -11.548 1.00 0.00 H new ATOM 1139 N ARG A 78 4.169 -5.174 -8.151 1.00 0.00 N ATOM 1140 CA ARG A 78 4.919 -4.143 -7.439 1.00 0.00 C ATOM 1141 C ARG A 78 6.327 -4.605 -7.132 1.00 0.00 C ATOM 1142 O ARG A 78 7.256 -3.914 -7.535 1.00 0.00 O ATOM 1143 CB ARG A 78 4.146 -3.561 -6.247 1.00 0.00 C ATOM 1144 CG ARG A 78 4.449 -2.073 -5.938 1.00 0.00 C ATOM 1145 CD ARG A 78 4.371 -1.075 -7.117 1.00 0.00 C ATOM 1146 NE ARG A 78 5.638 -1.020 -7.870 1.00 0.00 N ATOM 1147 CZ ARG A 78 5.817 -1.190 -9.188 1.00 0.00 C ATOM 1148 NH1 ARG A 78 4.863 -0.915 -10.074 1.00 0.00 N ATOM 1149 NH2 ARG A 78 6.971 -1.697 -9.587 1.00 0.00 N ATOM 0 H ARG A 78 3.961 -6.006 -7.598 1.00 0.00 H new ATOM 0 HA ARG A 78 5.036 -3.288 -8.104 1.00 0.00 H new ATOM 0 HB2 ARG A 78 3.078 -3.667 -6.438 1.00 0.00 H new ATOM 0 HB3 ARG A 78 4.372 -4.154 -5.361 1.00 0.00 H new ATOM 0 HG2 ARG A 78 3.754 -1.740 -5.167 1.00 0.00 H new ATOM 0 HG3 ARG A 78 5.450 -2.014 -5.511 1.00 0.00 H new ATOM 0 HD2 ARG A 78 3.562 -1.366 -7.787 1.00 0.00 H new ATOM 0 HD3 ARG A 78 4.130 -0.082 -6.738 1.00 0.00 H new ATOM 0 HE ARG A 78 6.478 -0.830 -7.323 1.00 0.00 H new ATOM 0 HH11 ARG A 78 3.960 -0.562 -9.758 1.00 0.00 H new ATOM 0 HH12 ARG A 78 5.035 -1.057 -11.069 1.00 0.00 H new ATOM 0 HH21 ARG A 78 7.685 -1.943 -8.901 1.00 0.00 H new ATOM 0 HH22 ARG A 78 7.148 -1.843 -10.581 1.00 0.00 H new ATOM 1163 N LEU A 79 6.503 -5.697 -6.385 1.00 0.00 N ATOM 1164 CA LEU A 79 7.749 -6.415 -6.241 1.00 0.00 C ATOM 1165 C LEU A 79 7.849 -7.521 -7.296 1.00 0.00 C ATOM 1166 O LEU A 79 6.990 -7.671 -8.161 1.00 0.00 O ATOM 1167 CB LEU A 79 7.866 -7.003 -4.816 1.00 0.00 C ATOM 1168 CG LEU A 79 6.771 -6.803 -3.763 1.00 0.00 C ATOM 1169 CD1 LEU A 79 7.189 -7.609 -2.525 1.00 0.00 C ATOM 1170 CD2 LEU A 79 6.618 -5.373 -3.286 1.00 0.00 C ATOM 0 H LEU A 79 5.744 -6.114 -5.846 1.00 0.00 H new ATOM 0 HA LEU A 79 8.575 -5.721 -6.394 1.00 0.00 H new ATOM 0 HB2 LEU A 79 8.000 -8.079 -4.930 1.00 0.00 H new ATOM 0 HB3 LEU A 79 8.789 -6.610 -4.389 1.00 0.00 H new ATOM 0 HG LEU A 79 5.831 -7.109 -4.223 1.00 0.00 H new ATOM 0 HD11 LEU A 79 6.435 -7.496 -1.746 1.00 0.00 H new ATOM 0 HD12 LEU A 79 7.281 -8.662 -2.791 1.00 0.00 H new ATOM 0 HD13 LEU A 79 8.148 -7.242 -2.159 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.822 -5.321 -2.543 1.00 0.00 H new ATOM 0 HD22 LEU A 79 7.554 -5.036 -2.840 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.368 -4.732 -4.131 1.00 0.00 H new ATOM 1182 N GLU A 80 8.876 -8.353 -7.138 1.00 0.00 N ATOM 1183 CA GLU A 80 9.101 -9.670 -7.732 1.00 0.00 C ATOM 1184 C GLU A 80 7.948 -10.678 -7.525 1.00 0.00 C ATOM 1185 O GLU A 80 8.046 -11.814 -7.994 1.00 0.00 O ATOM 1186 CB GLU A 80 10.365 -10.230 -7.044 1.00 0.00 C ATOM 1187 CG GLU A 80 10.058 -10.623 -5.583 1.00 0.00 C ATOM 1188 CD GLU A 80 11.307 -10.951 -4.777 1.00 0.00 C ATOM 1189 OE1 GLU A 80 11.779 -12.107 -4.839 1.00 0.00 O ATOM 1190 OE2 GLU A 80 11.811 -10.086 -4.027 1.00 0.00 O ATOM 0 H GLU A 80 9.651 -8.095 -6.528 1.00 0.00 H new ATOM 0 HA GLU A 80 9.190 -9.545 -8.811 1.00 0.00 H new ATOM 0 HB2 GLU A 80 10.729 -11.099 -7.592 1.00 0.00 H new ATOM 0 HB3 GLU A 80 11.159 -9.484 -7.067 1.00 0.00 H new ATOM 0 HG2 GLU A 80 9.524 -9.806 -5.098 1.00 0.00 H new ATOM 0 HG3 GLU A 80 9.392 -11.486 -5.578 1.00 0.00 H new ATOM 1197 N GLY A 81 6.923 -10.331 -6.737 1.00 0.00 N ATOM 1198 CA GLY A 81 5.841 -11.210 -6.349 1.00 0.00 C ATOM 1199 C GLY A 81 6.110 -11.864 -5.002 1.00 0.00 C ATOM 1200 O GLY A 81 6.523 -13.021 -4.932 1.00 0.00 O ATOM 0 H GLY A 81 6.832 -9.394 -6.344 1.00 0.00 H new ATOM 0 HA2 GLY A 81 4.911 -10.644 -6.301 1.00 0.00 H new ATOM 0 HA3 GLY A 81 5.706 -11.980 -7.108 1.00 0.00 H new ATOM 1204 N ARG A 82 5.866 -11.126 -3.913 1.00 0.00 N ATOM 1205 CA ARG A 82 5.975 -11.646 -2.548 1.00 0.00 C ATOM 1206 C ARG A 82 4.810 -11.141 -1.699 1.00 0.00 C ATOM 1207 O ARG A 82 4.020 -11.952 -1.222 1.00 0.00 O ATOM 1208 CB ARG A 82 7.355 -11.298 -1.935 1.00 0.00 C ATOM 1209 CG ARG A 82 8.243 -12.519 -1.678 1.00 0.00 C ATOM 1210 CD ARG A 82 9.099 -12.905 -2.893 1.00 0.00 C ATOM 1211 NE ARG A 82 9.534 -14.306 -2.833 1.00 0.00 N ATOM 1212 CZ ARG A 82 8.729 -15.367 -2.943 1.00 0.00 C ATOM 1213 NH1 ARG A 82 7.481 -15.245 -3.385 1.00 0.00 N ATOM 1214 NH2 ARG A 82 9.139 -16.572 -2.587 1.00 0.00 N ATOM 0 H ARG A 82 5.586 -10.146 -3.956 1.00 0.00 H new ATOM 0 HA ARG A 82 5.911 -12.734 -2.571 1.00 0.00 H new ATOM 0 HB2 ARG A 82 7.878 -10.615 -2.605 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.201 -10.768 -0.995 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.897 -12.314 -0.830 1.00 0.00 H new ATOM 0 HG3 ARG A 82 7.615 -13.365 -1.399 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.528 -12.741 -3.807 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.973 -12.255 -2.943 1.00 0.00 H new ATOM 0 HE ARG A 82 10.529 -14.483 -2.697 1.00 0.00 H new ATOM 0 HH11 ARG A 82 7.121 -14.328 -3.648 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.884 -16.069 -3.461 1.00 0.00 H new ATOM 0 HH21 ARG A 82 10.082 -16.703 -2.222 1.00 0.00 H new ATOM 0 HH22 ARG A 82 8.512 -17.371 -2.677 1.00 0.00 H new ATOM 1228 N PHE A 83 4.730 -9.825 -1.499 1.00 0.00 N ATOM 1229 CA PHE A 83 3.790 -9.075 -0.664 1.00 0.00 C ATOM 1230 C PHE A 83 3.726 -7.649 -1.233 1.00 0.00 C ATOM 1231 O PHE A 83 4.240 -7.402 -2.318 1.00 0.00 O ATOM 1232 CB PHE A 83 4.320 -9.033 0.778 1.00 0.00 C ATOM 1233 CG PHE A 83 4.043 -10.241 1.644 1.00 0.00 C ATOM 1234 CD1 PHE A 83 2.867 -10.270 2.413 1.00 0.00 C ATOM 1235 CD2 PHE A 83 5.019 -11.236 1.828 1.00 0.00 C ATOM 1236 CE1 PHE A 83 2.710 -11.216 3.438 1.00 0.00 C ATOM 1237 CE2 PHE A 83 4.848 -12.196 2.841 1.00 0.00 C ATOM 1238 CZ PHE A 83 3.716 -12.165 3.666 1.00 0.00 C ATOM 0 H PHE A 83 5.386 -9.196 -1.963 1.00 0.00 H new ATOM 0 HA PHE A 83 2.803 -9.538 -0.662 1.00 0.00 H new ATOM 0 HB2 PHE A 83 5.399 -8.884 0.739 1.00 0.00 H new ATOM 0 HB3 PHE A 83 3.895 -8.158 1.270 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.078 -9.559 2.214 1.00 0.00 H new ATOM 0 HD2 PHE A 83 5.894 -11.263 1.196 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.819 -11.213 4.048 1.00 0.00 H new ATOM 0 HE2 PHE A 83 5.595 -12.963 2.984 1.00 0.00 H new ATOM 0 HZ PHE A 83 3.619 -12.872 4.477 1.00 0.00 H new ATOM 1248 N THR A 84 3.113 -6.681 -0.562 1.00 0.00 N ATOM 1249 CA THR A 84 3.284 -5.259 -0.839 1.00 0.00 C ATOM 1250 C THR A 84 2.974 -4.504 0.466 1.00 0.00 C ATOM 1251 O THR A 84 2.183 -4.989 1.277 1.00 0.00 O ATOM 1252 CB THR A 84 2.387 -4.888 -2.036 1.00 0.00 C ATOM 1253 OG1 THR A 84 3.146 -5.130 -3.201 1.00 0.00 O ATOM 1254 CG2 THR A 84 1.935 -3.433 -2.098 1.00 0.00 C ATOM 0 H THR A 84 2.469 -6.867 0.207 1.00 0.00 H new ATOM 0 HA THR A 84 4.297 -4.985 -1.133 1.00 0.00 H new ATOM 0 HB THR A 84 1.480 -5.485 -1.938 1.00 0.00 H new ATOM 0 HG1 THR A 84 3.644 -5.968 -3.099 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.310 -3.283 -2.978 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.363 -3.191 -1.202 1.00 0.00 H new ATOM 0 HG23 THR A 84 2.808 -2.783 -2.158 1.00 0.00 H new ATOM 1262 N VAL A 85 3.559 -3.318 0.668 1.00 0.00 N ATOM 1263 CA VAL A 85 3.226 -2.419 1.770 1.00 0.00 C ATOM 1264 C VAL A 85 2.636 -1.132 1.210 1.00 0.00 C ATOM 1265 O VAL A 85 3.002 -0.714 0.113 1.00 0.00 O ATOM 1266 CB VAL A 85 4.461 -2.163 2.650 1.00 0.00 C ATOM 1267 CG1 VAL A 85 5.637 -1.509 1.935 1.00 0.00 C ATOM 1268 CG2 VAL A 85 4.113 -1.335 3.889 1.00 0.00 C ATOM 0 H VAL A 85 4.290 -2.953 0.057 1.00 0.00 H new ATOM 0 HA VAL A 85 2.476 -2.881 2.411 1.00 0.00 H new ATOM 0 HB VAL A 85 4.783 -3.164 2.939 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.458 -1.370 2.638 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.965 -2.148 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.330 -0.541 1.540 1.00 0.00 H new ATOM 0 HG21 VAL A 85 5.012 -1.176 4.485 1.00 0.00 H new ATOM 0 HG22 VAL A 85 3.707 -0.372 3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 85 3.372 -1.867 4.486 1.00 0.00 H new ATOM 1278 N ILE A 86 1.774 -0.481 1.985 1.00 0.00 N ATOM 1279 CA ILE A 86 0.960 0.660 1.624 1.00 0.00 C ATOM 1280 C ILE A 86 1.089 1.692 2.721 1.00 0.00 C ATOM 1281 O ILE A 86 0.391 1.614 3.730 1.00 0.00 O ATOM 1282 CB ILE A 86 -0.493 0.173 1.485 1.00 0.00 C ATOM 1283 CG1 ILE A 86 -0.672 -0.759 0.262 1.00 0.00 C ATOM 1284 CG2 ILE A 86 -1.480 1.346 1.361 1.00 0.00 C ATOM 1285 CD1 ILE A 86 -0.440 -0.029 -1.066 1.00 0.00 C ATOM 0 H ILE A 86 1.620 -0.764 2.953 1.00 0.00 H new ATOM 0 HA ILE A 86 1.276 1.109 0.682 1.00 0.00 H new ATOM 0 HB ILE A 86 -0.711 -0.384 2.396 1.00 0.00 H new ATOM 0 HG12 ILE A 86 0.023 -1.595 0.341 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.678 -1.179 0.272 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -2.495 0.959 1.265 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -1.413 1.973 2.250 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.232 1.938 0.480 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.577 -0.726 -1.893 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.152 0.791 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 86 0.575 0.368 -1.091 1.00 0.00 H new ATOM 1297 N ARG A 87 1.973 2.667 2.535 1.00 0.00 N ATOM 1298 CA ARG A 87 2.217 3.684 3.547 1.00 0.00 C ATOM 1299 C ARG A 87 1.356 4.870 3.153 1.00 0.00 C ATOM 1300 O ARG A 87 1.793 5.706 2.372 1.00 0.00 O ATOM 1301 CB ARG A 87 3.719 4.037 3.667 1.00 0.00 C ATOM 1302 CG ARG A 87 4.701 2.855 3.577 1.00 0.00 C ATOM 1303 CD ARG A 87 6.142 3.329 3.800 1.00 0.00 C ATOM 1304 NE ARG A 87 7.118 2.420 3.163 1.00 0.00 N ATOM 1305 CZ ARG A 87 8.270 1.952 3.668 1.00 0.00 C ATOM 1306 NH1 ARG A 87 8.658 2.259 4.903 1.00 0.00 N ATOM 1307 NH2 ARG A 87 9.028 1.156 2.915 1.00 0.00 N ATOM 0 H ARG A 87 2.533 2.773 1.689 1.00 0.00 H new ATOM 0 HA ARG A 87 1.950 3.331 4.543 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.968 4.750 2.881 1.00 0.00 H new ATOM 0 HB3 ARG A 87 3.878 4.543 4.619 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.441 2.102 4.322 1.00 0.00 H new ATOM 0 HG3 ARG A 87 4.617 2.379 2.600 1.00 0.00 H new ATOM 0 HD2 ARG A 87 6.262 4.334 3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 87 6.344 3.390 4.869 1.00 0.00 H new ATOM 0 HE ARG A 87 6.887 2.109 2.220 1.00 0.00 H new ATOM 0 HH11 ARG A 87 8.076 2.861 5.486 1.00 0.00 H new ATOM 0 HH12 ARG A 87 9.537 1.892 5.267 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.730 0.911 1.971 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.907 0.791 3.283 1.00 0.00 H new ATOM 1321 N ARG A 88 0.097 4.896 3.584 1.00 0.00 N ATOM 1322 CA ARG A 88 -0.797 6.030 3.364 1.00 0.00 C ATOM 1323 C ARG A 88 -0.464 7.036 4.450 1.00 0.00 C ATOM 1324 O ARG A 88 -0.812 6.779 5.589 1.00 0.00 O ATOM 1325 CB ARG A 88 -2.260 5.544 3.440 1.00 0.00 C ATOM 1326 CG ARG A 88 -3.339 6.642 3.513 1.00 0.00 C ATOM 1327 CD ARG A 88 -3.410 7.553 2.278 1.00 0.00 C ATOM 1328 NE ARG A 88 -2.806 8.888 2.476 1.00 0.00 N ATOM 1329 CZ ARG A 88 -3.423 10.061 2.246 1.00 0.00 C ATOM 1330 NH1 ARG A 88 -4.682 10.137 1.841 1.00 0.00 N ATOM 1331 NH2 ARG A 88 -2.786 11.203 2.447 1.00 0.00 N ATOM 0 H ARG A 88 -0.334 4.127 4.098 1.00 0.00 H new ATOM 0 HA ARG A 88 -0.672 6.489 2.383 1.00 0.00 H new ATOM 0 HB2 ARG A 88 -2.461 4.924 2.566 1.00 0.00 H new ATOM 0 HB3 ARG A 88 -2.363 4.904 4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 88 -4.311 6.169 3.656 1.00 0.00 H new ATOM 0 HG3 ARG A 88 -3.152 7.258 4.392 1.00 0.00 H new ATOM 0 HD2 ARG A 88 -2.908 7.059 1.446 1.00 0.00 H new ATOM 0 HD3 ARG A 88 -4.454 7.678 1.991 1.00 0.00 H new ATOM 0 HE ARG A 88 -1.844 8.922 2.814 1.00 0.00 H new ATOM 0 HH11 ARG A 88 -5.222 9.285 1.692 1.00 0.00 H new ATOM 0 HH12 ARG A 88 -5.111 11.048 1.678 1.00 0.00 H new ATOM 0 HH21 ARG A 88 -1.821 11.197 2.778 1.00 0.00 H new ATOM 0 HH22 ARG A 88 -3.260 12.089 2.271 1.00 0.00 H new ATOM 1345 N GLY A 89 0.134 8.184 4.137 1.00 0.00 N ATOM 1346 CA GLY A 89 0.544 9.180 5.129 1.00 0.00 C ATOM 1347 C GLY A 89 -0.588 9.731 6.012 1.00 0.00 C ATOM 1348 O GLY A 89 -0.317 10.229 7.103 1.00 0.00 O ATOM 0 H GLY A 89 0.351 8.453 3.177 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.302 8.736 5.774 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.016 10.014 4.609 1.00 0.00 H new ATOM 1352 N LYS A 90 -1.864 9.629 5.612 1.00 0.00 N ATOM 1353 CA LYS A 90 -2.997 9.966 6.486 1.00 0.00 C ATOM 1354 C LYS A 90 -3.182 8.910 7.591 1.00 0.00 C ATOM 1355 O LYS A 90 -3.963 9.112 8.517 1.00 0.00 O ATOM 1356 CB LYS A 90 -4.266 10.148 5.628 1.00 0.00 C ATOM 1357 CG LYS A 90 -5.556 10.603 6.340 1.00 0.00 C ATOM 1358 CD LYS A 90 -5.502 11.979 7.024 1.00 0.00 C ATOM 1359 CE LYS A 90 -4.929 11.917 8.446 1.00 0.00 C ATOM 1360 NZ LYS A 90 -5.010 13.214 9.142 1.00 0.00 N ATOM 0 H LYS A 90 -2.138 9.313 4.682 1.00 0.00 H new ATOM 0 HA LYS A 90 -2.794 10.907 6.997 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -4.041 10.874 4.847 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -4.474 9.200 5.132 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -6.365 10.614 5.610 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -5.815 9.857 7.091 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -4.894 12.655 6.422 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -6.506 12.401 7.061 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -5.470 11.165 9.020 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -3.888 11.596 8.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -4.611 13.121 10.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -4.472 13.928 8.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -6.005 13.510 9.210 1.00 0.00 H new ATOM 1374 N LYS A 91 -2.511 7.768 7.493 1.00 0.00 N ATOM 1375 CA LYS A 91 -2.745 6.550 8.246 1.00 0.00 C ATOM 1376 C LYS A 91 -1.393 5.849 8.418 1.00 0.00 C ATOM 1377 O LYS A 91 -0.357 6.518 8.407 1.00 0.00 O ATOM 1378 CB LYS A 91 -3.796 5.716 7.483 1.00 0.00 C ATOM 1379 CG LYS A 91 -4.843 5.096 8.426 1.00 0.00 C ATOM 1380 CD LYS A 91 -6.267 5.579 8.116 1.00 0.00 C ATOM 1381 CE LYS A 91 -6.710 5.041 6.755 1.00 0.00 C ATOM 1382 NZ LYS A 91 -8.014 5.570 6.318 1.00 0.00 N ATOM 0 H LYS A 91 -1.736 7.666 6.838 1.00 0.00 H new ATOM 0 HA LYS A 91 -3.147 6.725 9.244 1.00 0.00 H new ATOM 0 HB2 LYS A 91 -4.298 6.349 6.751 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -3.295 4.923 6.928 1.00 0.00 H new ATOM 0 HG2 LYS A 91 -4.804 4.010 8.344 1.00 0.00 H new ATOM 0 HG3 LYS A 91 -4.593 5.347 9.457 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -6.953 5.240 8.892 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -6.299 6.669 8.115 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -5.955 5.291 6.009 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -6.764 3.953 6.801 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -8.330 5.058 5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -8.712 5.444 7.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -7.922 6.582 6.097 1.00 0.00 H new ATOM 1396 N LYS A 92 -1.366 4.532 8.629 1.00 0.00 N ATOM 1397 CA LYS A 92 -0.131 3.764 8.734 1.00 0.00 C ATOM 1398 C LYS A 92 0.228 3.079 7.398 1.00 0.00 C ATOM 1399 O LYS A 92 -0.017 3.591 6.287 1.00 0.00 O ATOM 1400 CB LYS A 92 -0.242 2.815 9.952 1.00 0.00 C ATOM 1401 CG LYS A 92 1.116 2.481 10.600 1.00 0.00 C ATOM 1402 CD LYS A 92 1.370 3.237 11.909 1.00 0.00 C ATOM 1403 CE LYS A 92 1.419 4.760 11.739 1.00 0.00 C ATOM 1404 NZ LYS A 92 2.091 5.412 12.881 1.00 0.00 N ATOM 0 H LYS A 92 -2.209 3.967 8.732 1.00 0.00 H new ATOM 0 HA LYS A 92 0.719 4.421 8.921 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -0.889 3.272 10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -0.723 1.889 9.638 1.00 0.00 H new ATOM 0 HG2 LYS A 92 1.164 1.409 10.793 1.00 0.00 H new ATOM 0 HG3 LYS A 92 1.914 2.714 9.894 1.00 0.00 H new ATOM 0 HD2 LYS A 92 0.586 2.985 12.623 1.00 0.00 H new ATOM 0 HD3 LYS A 92 2.313 2.897 12.338 1.00 0.00 H new ATOM 0 HE2 LYS A 92 1.945 5.007 10.817 1.00 0.00 H new ATOM 0 HE3 LYS A 92 0.405 5.149 11.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 2.106 6.441 12.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 1.574 5.196 13.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 3.066 5.059 12.958 1.00 0.00 H new ATOM 1418 N TYR A 93 0.911 1.946 7.553 1.00 0.00 N ATOM 1419 CA TYR A 93 1.668 1.222 6.553 1.00 0.00 C ATOM 1420 C TYR A 93 1.113 -0.193 6.438 1.00 0.00 C ATOM 1421 O TYR A 93 1.665 -1.143 6.988 1.00 0.00 O ATOM 1422 CB TYR A 93 3.169 1.200 6.848 1.00 0.00 C ATOM 1423 CG TYR A 93 3.844 2.416 7.472 1.00 0.00 C ATOM 1424 CD1 TYR A 93 3.473 3.743 7.167 1.00 0.00 C ATOM 1425 CD2 TYR A 93 4.877 2.195 8.403 1.00 0.00 C ATOM 1426 CE1 TYR A 93 4.126 4.827 7.783 1.00 0.00 C ATOM 1427 CE2 TYR A 93 5.540 3.267 9.014 1.00 0.00 C ATOM 1428 CZ TYR A 93 5.168 4.593 8.710 1.00 0.00 C ATOM 1429 OH TYR A 93 5.795 5.634 9.324 1.00 0.00 O ATOM 0 H TYR A 93 0.947 1.479 8.459 1.00 0.00 H new ATOM 0 HA TYR A 93 1.557 1.743 5.602 1.00 0.00 H new ATOM 0 HB2 TYR A 93 3.357 0.352 7.507 1.00 0.00 H new ATOM 0 HB3 TYR A 93 3.680 0.993 5.908 1.00 0.00 H new ATOM 0 HD1 TYR A 93 2.682 3.928 6.455 1.00 0.00 H new ATOM 0 HD2 TYR A 93 5.163 1.183 8.650 1.00 0.00 H new ATOM 0 HE1 TYR A 93 3.831 5.839 7.547 1.00 0.00 H new ATOM 0 HE2 TYR A 93 6.337 3.078 9.718 1.00 0.00 H new ATOM 0 HH TYR A 93 6.484 5.290 9.930 1.00 0.00 H new ATOM 1439 N TYR A 94 -0.014 -0.345 5.764 1.00 0.00 N ATOM 1440 CA TYR A 94 -0.719 -1.605 5.765 1.00 0.00 C ATOM 1441 C TYR A 94 -0.034 -2.569 4.811 1.00 0.00 C ATOM 1442 O TYR A 94 0.775 -2.171 3.970 1.00 0.00 O ATOM 1443 CB TYR A 94 -2.129 -1.334 5.297 1.00 0.00 C ATOM 1444 CG TYR A 94 -3.000 -0.592 6.286 1.00 0.00 C ATOM 1445 CD1 TYR A 94 -3.709 -1.322 7.256 1.00 0.00 C ATOM 1446 CD2 TYR A 94 -3.170 0.802 6.183 1.00 0.00 C ATOM 1447 CE1 TYR A 94 -4.652 -0.675 8.069 1.00 0.00 C ATOM 1448 CE2 TYR A 94 -4.138 1.447 6.970 1.00 0.00 C ATOM 1449 CZ TYR A 94 -4.905 0.704 7.896 1.00 0.00 C ATOM 1450 OH TYR A 94 -5.907 1.312 8.586 1.00 0.00 O ATOM 0 H TYR A 94 -0.456 0.390 5.212 1.00 0.00 H new ATOM 0 HA TYR A 94 -0.725 -2.048 6.761 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.084 -0.759 4.372 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -2.605 -2.285 5.058 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -3.528 -2.380 7.375 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -2.558 1.373 5.501 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -5.184 -1.231 8.827 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.296 2.510 6.868 1.00 0.00 H new ATOM 0 HH TYR A 94 -6.034 0.859 9.446 1.00 0.00 H new ATOM 1460 N LEU A 95 -0.387 -3.840 4.939 1.00 0.00 N ATOM 1461 CA LEU A 95 0.361 -4.948 4.373 1.00 0.00 C ATOM 1462 C LEU A 95 -0.603 -5.814 3.580 1.00 0.00 C ATOM 1463 O LEU A 95 -1.669 -6.171 4.074 1.00 0.00 O ATOM 1464 CB LEU A 95 1.011 -5.713 5.521 1.00 0.00 C ATOM 1465 CG LEU A 95 2.239 -6.548 5.153 1.00 0.00 C ATOM 1466 CD1 LEU A 95 2.649 -7.380 6.366 1.00 0.00 C ATOM 1467 CD2 LEU A 95 2.051 -7.498 3.974 1.00 0.00 C ATOM 0 H LEU A 95 -1.219 -4.133 5.450 1.00 0.00 H new ATOM 0 HA LEU A 95 1.148 -4.612 3.698 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.299 -4.998 6.292 1.00 0.00 H new ATOM 0 HB3 LEU A 95 0.264 -6.374 5.961 1.00 0.00 H new ATOM 0 HG LEU A 95 3.000 -5.829 4.850 1.00 0.00 H new ATOM 0 HD11 LEU A 95 3.524 -7.980 6.117 1.00 0.00 H new ATOM 0 HD12 LEU A 95 2.889 -6.717 7.198 1.00 0.00 H new ATOM 0 HD13 LEU A 95 1.827 -8.037 6.651 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.978 -8.043 3.794 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.253 -8.205 4.200 1.00 0.00 H new ATOM 0 HD23 LEU A 95 1.788 -6.926 3.084 1.00 0.00 H new ATOM 1479 N ILE A 96 -0.266 -6.101 2.335 1.00 0.00 N ATOM 1480 CA ILE A 96 -1.154 -6.731 1.367 1.00 0.00 C ATOM 1481 C ILE A 96 -0.451 -7.963 0.775 1.00 0.00 C ATOM 1482 O ILE A 96 0.716 -7.890 0.374 1.00 0.00 O ATOM 1483 CB ILE A 96 -1.560 -5.689 0.288 1.00 0.00 C ATOM 1484 CG1 ILE A 96 -2.531 -4.575 0.763 1.00 0.00 C ATOM 1485 CG2 ILE A 96 -2.279 -6.371 -0.882 1.00 0.00 C ATOM 1486 CD1 ILE A 96 -2.049 -3.579 1.821 1.00 0.00 C ATOM 0 H ILE A 96 0.659 -5.897 1.956 1.00 0.00 H new ATOM 0 HA ILE A 96 -2.073 -7.075 1.841 1.00 0.00 H new ATOM 0 HB ILE A 96 -0.607 -5.234 0.017 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -2.833 -4.004 -0.115 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -3.426 -5.061 1.151 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -2.554 -5.623 -1.626 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -1.617 -7.108 -1.336 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -3.178 -6.868 -0.517 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -2.845 -2.868 2.041 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -1.780 -4.116 2.731 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -1.178 -3.043 1.446 1.00 0.00 H new ATOM 1498 N ARG A 97 -1.183 -9.077 0.662 1.00 0.00 N ATOM 1499 CA ARG A 97 -0.803 -10.269 -0.110 1.00 0.00 C ATOM 1500 C ARG A 97 -1.964 -10.913 -0.899 1.00 0.00 C ATOM 1501 O ARG A 97 -3.132 -10.486 -0.949 1.00 0.00 O ATOM 1502 CB ARG A 97 -0.148 -11.323 0.824 1.00 0.00 C ATOM 1503 CG ARG A 97 1.058 -12.062 0.205 1.00 0.00 C ATOM 1504 CD ARG A 97 1.464 -13.307 1.009 1.00 0.00 C ATOM 1505 NE ARG A 97 2.797 -13.792 0.615 1.00 0.00 N ATOM 1506 CZ ARG A 97 3.583 -14.597 1.343 1.00 0.00 C ATOM 1507 NH1 ARG A 97 3.149 -15.147 2.472 1.00 0.00 N ATOM 1508 NH2 ARG A 97 4.829 -14.831 0.942 1.00 0.00 N ATOM 0 H ARG A 97 -2.088 -9.179 1.121 1.00 0.00 H new ATOM 0 HA ARG A 97 -0.089 -9.923 -0.857 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.176 -10.828 1.740 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.902 -12.057 1.108 1.00 0.00 H new ATOM 0 HG2 ARG A 97 0.814 -12.357 -0.816 1.00 0.00 H new ATOM 0 HG3 ARG A 97 1.906 -11.380 0.146 1.00 0.00 H new ATOM 0 HD2 ARG A 97 1.461 -13.071 2.073 1.00 0.00 H new ATOM 0 HD3 ARG A 97 0.728 -14.096 0.856 1.00 0.00 H new ATOM 0 HE ARG A 97 3.153 -13.489 -0.291 1.00 0.00 H new ATOM 0 HH11 ARG A 97 2.201 -14.959 2.799 1.00 0.00 H new ATOM 0 HH12 ARG A 97 3.763 -15.757 3.011 1.00 0.00 H new ATOM 0 HH21 ARG A 97 5.179 -14.399 0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 97 5.435 -15.442 1.490 1.00 0.00 H new ATOM 1522 N TYR A 98 -1.599 -12.019 -1.520 1.00 0.00 N ATOM 1523 CA TYR A 98 -2.470 -13.021 -2.054 1.00 0.00 C ATOM 1524 C TYR A 98 -2.225 -14.315 -1.281 1.00 0.00 C ATOM 1525 O TYR A 98 -1.201 -14.443 -0.605 1.00 0.00 O ATOM 1526 CB TYR A 98 -2.242 -13.185 -3.554 1.00 0.00 C ATOM 1527 CG TYR A 98 -0.845 -12.888 -4.044 1.00 0.00 C ATOM 1528 CD1 TYR A 98 0.254 -13.601 -3.532 1.00 0.00 C ATOM 1529 CD2 TYR A 98 -0.647 -11.872 -4.991 1.00 0.00 C ATOM 1530 CE1 TYR A 98 1.555 -13.308 -3.958 1.00 0.00 C ATOM 1531 CE2 TYR A 98 0.646 -11.589 -5.438 1.00 0.00 C ATOM 1532 CZ TYR A 98 1.752 -12.303 -4.922 1.00 0.00 C ATOM 1533 OH TYR A 98 3.014 -12.008 -5.319 1.00 0.00 O ATOM 0 H TYR A 98 -0.616 -12.246 -1.669 1.00 0.00 H new ATOM 0 HA TYR A 98 -3.514 -12.732 -1.936 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -2.493 -14.209 -3.830 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -2.938 -12.532 -4.081 1.00 0.00 H new ATOM 0 HD1 TYR A 98 0.093 -14.382 -2.803 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -1.489 -11.312 -5.372 1.00 0.00 H new ATOM 0 HE1 TYR A 98 2.398 -13.847 -3.551 1.00 0.00 H new ATOM 0 HE2 TYR A 98 0.802 -10.821 -6.181 1.00 0.00 H new ATOM 0 HH TYR A 98 3.255 -12.569 -6.086 1.00 0.00 H new ATOM 1543 N ALA A 99 -3.178 -15.238 -1.349 1.00 0.00 N ATOM 1544 CA ALA A 99 -3.223 -16.489 -0.626 1.00 0.00 C ATOM 1545 C ALA A 99 -2.123 -17.381 -1.187 1.00 0.00 C ATOM 1546 O ALA A 99 -2.318 -18.089 -2.179 1.00 0.00 O ATOM 1547 CB ALA A 99 -4.630 -17.094 -0.735 1.00 0.00 C ATOM 0 H ALA A 99 -3.991 -15.117 -1.953 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.038 -16.359 0.440 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -4.664 -18.037 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -5.357 -16.403 -0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -4.869 -17.272 -1.783 1.00 0.00 H new TER 1553 ALA A 99