USER MOD reduce.3.24.130724 H: found=0, std=0, add=681, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 684 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 Single : A 5 ASN : amide:sc= -1.16! C(o=-1.2!,f=-7.6!) USER MOD Single : A 8 SER OG : rot 180:sc=-0.00852 USER MOD Single : A 11 ASN : amide:sc= -0.218 K(o=-0.22,f=-2.2!) USER MOD Single : A 15 ASN : amide:sc= -0.358 K(o=-0.36,f=-6.3!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -42:sc= 0.904 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.324 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot -172:sc= -4.18! USER MOD Single : A 39 SER OG : rot 81:sc= 0.979 USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 HIS : no HD1:sc= -0.771 X(o=-0.77,f=-0.66) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 ASN :FLIP amide:sc= -1.53 F(o=-3.3!,f=-1.5) USER MOD Single : A 69 THR OG1 : rot 33:sc= 0.1 USER MOD Single : A 73 HIS : no HD1:sc= -1.49 K(o=-1.5,f=-3.1!) USER MOD Single : A 75 HIS : no HE2:sc= -1.82 K(o=-1.8,f=-4!) USER MOD Single : A 76 ASN : amide:sc= -0.0118 X(o=-0.012,f=-0.096) USER MOD Single : A 80 LYS NZ :NH3+ 126:sc= 0.0128 (180deg=-0.217) USER MOD Single : A 83 LYS NZ :NH3+ -159:sc= 0.578 (180deg=-0.104) USER MOD Single : A 84 SER OG : rot 134:sc= -1.46! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 98 ASN : amide:sc= -9.94! C(o=-9.9!,f=-12!) USER MOD ----------------------------------------------------------------- ATOM 41 N ASP A 4 -20.176 -3.348 -1.995 1.00 0.00 N ATOM 42 CA ASP A 4 -19.873 -4.311 -3.094 1.00 0.00 C ATOM 43 C ASP A 4 -18.658 -3.817 -3.884 1.00 0.00 C ATOM 44 O ASP A 4 -18.786 -3.259 -4.956 1.00 0.00 O ATOM 45 CB ASP A 4 -21.081 -4.414 -4.028 1.00 0.00 C ATOM 46 CG ASP A 4 -20.834 -5.514 -5.063 1.00 0.00 C ATOM 47 OD1 ASP A 4 -20.752 -6.665 -4.668 1.00 0.00 O ATOM 48 OD2 ASP A 4 -20.731 -5.185 -6.234 1.00 0.00 O ATOM 0 HA ASP A 4 -19.657 -5.291 -2.670 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -21.980 -4.636 -3.453 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -21.250 -3.460 -4.528 1.00 0.00 H new ATOM 53 N ASN A 5 -17.479 -4.019 -3.362 1.00 0.00 N ATOM 54 CA ASN A 5 -16.253 -3.566 -4.079 1.00 0.00 C ATOM 55 C ASN A 5 -15.030 -4.230 -3.442 1.00 0.00 C ATOM 56 O ASN A 5 -14.694 -3.972 -2.302 1.00 0.00 O ATOM 57 CB ASN A 5 -16.127 -2.045 -3.966 1.00 0.00 C ATOM 58 CG ASN A 5 -14.887 -1.577 -4.729 1.00 0.00 C ATOM 59 OD1 ASN A 5 -14.025 -2.369 -5.055 1.00 0.00 O ATOM 60 ND2 ASN A 5 -14.759 -0.314 -5.031 1.00 0.00 N ATOM 0 H ASN A 5 -17.312 -4.480 -2.467 1.00 0.00 H new ATOM 0 HA ASN A 5 -16.317 -3.844 -5.131 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -17.018 -1.565 -4.370 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -16.054 -1.752 -2.919 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -13.936 0.008 -5.540 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -15.482 0.352 -4.758 1.00 0.00 H new ATOM 67 N GLU A 6 -14.362 -5.092 -4.165 1.00 0.00 N ATOM 68 CA GLU A 6 -13.168 -5.777 -3.592 1.00 0.00 C ATOM 69 C GLU A 6 -12.318 -6.376 -4.716 1.00 0.00 C ATOM 70 O GLU A 6 -12.798 -6.638 -5.801 1.00 0.00 O ATOM 71 CB GLU A 6 -13.640 -6.893 -2.646 1.00 0.00 C ATOM 72 CG GLU A 6 -14.373 -7.999 -3.439 1.00 0.00 C ATOM 73 CD GLU A 6 -13.362 -8.985 -4.037 1.00 0.00 C ATOM 74 OE1 GLU A 6 -12.454 -9.378 -3.324 1.00 0.00 O ATOM 75 OE2 GLU A 6 -13.515 -9.329 -5.198 1.00 0.00 O ATOM 0 H GLU A 6 -14.592 -5.350 -5.125 1.00 0.00 H new ATOM 0 HA GLU A 6 -12.563 -5.057 -3.041 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -12.785 -7.319 -2.121 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -14.305 -6.479 -1.888 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -15.064 -8.529 -2.783 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.969 -7.551 -4.234 1.00 0.00 H new ATOM 82 N ILE A 7 -11.053 -6.603 -4.458 1.00 0.00 N ATOM 83 CA ILE A 7 -10.152 -7.194 -5.496 1.00 0.00 C ATOM 84 C ILE A 7 -9.140 -8.117 -4.811 1.00 0.00 C ATOM 85 O ILE A 7 -8.946 -8.057 -3.614 1.00 0.00 O ATOM 86 CB ILE A 7 -9.409 -6.079 -6.241 1.00 0.00 C ATOM 87 CG1 ILE A 7 -8.668 -5.184 -5.242 1.00 0.00 C ATOM 88 CG2 ILE A 7 -10.413 -5.234 -7.029 1.00 0.00 C ATOM 89 CD1 ILE A 7 -7.912 -4.089 -6.001 1.00 0.00 C ATOM 0 H ILE A 7 -10.603 -6.402 -3.565 1.00 0.00 H new ATOM 0 HA ILE A 7 -10.746 -7.762 -6.212 1.00 0.00 H new ATOM 0 HB ILE A 7 -8.688 -6.528 -6.925 1.00 0.00 H new ATOM 0 HG12 ILE A 7 -9.376 -4.736 -4.545 1.00 0.00 H new ATOM 0 HG13 ILE A 7 -7.972 -5.779 -4.651 1.00 0.00 H new ATOM 0 HG21 ILE A 7 -9.885 -4.441 -7.559 1.00 0.00 H new ATOM 0 HG22 ILE A 7 -10.935 -5.866 -7.748 1.00 0.00 H new ATOM 0 HG23 ILE A 7 -11.135 -4.793 -6.342 1.00 0.00 H new ATOM 0 HD11 ILE A 7 -7.385 -3.452 -5.291 1.00 0.00 H new ATOM 0 HD12 ILE A 7 -7.193 -4.547 -6.681 1.00 0.00 H new ATOM 0 HD13 ILE A 7 -8.619 -3.488 -6.572 1.00 0.00 H new ATOM 101 N SER A 8 -8.500 -8.978 -5.561 1.00 0.00 N ATOM 102 CA SER A 8 -7.501 -9.918 -4.961 1.00 0.00 C ATOM 103 C SER A 8 -6.335 -10.111 -5.923 1.00 0.00 C ATOM 104 O SER A 8 -6.472 -9.989 -7.125 1.00 0.00 O ATOM 105 CB SER A 8 -8.171 -11.268 -4.703 1.00 0.00 C ATOM 106 OG SER A 8 -9.378 -11.063 -3.980 1.00 0.00 O ATOM 0 H SER A 8 -8.626 -9.072 -6.569 1.00 0.00 H new ATOM 0 HA SER A 8 -7.131 -9.503 -4.023 1.00 0.00 H new ATOM 0 HB2 SER A 8 -8.380 -11.770 -5.648 1.00 0.00 H new ATOM 0 HB3 SER A 8 -7.501 -11.917 -4.139 1.00 0.00 H new ATOM 0 HG SER A 8 -9.811 -11.927 -3.814 1.00 0.00 H new ATOM 112 N VAL A 9 -5.183 -10.420 -5.394 1.00 0.00 N ATOM 113 CA VAL A 9 -3.980 -10.637 -6.253 1.00 0.00 C ATOM 114 C VAL A 9 -3.070 -11.661 -5.570 1.00 0.00 C ATOM 115 O VAL A 9 -2.329 -11.353 -4.660 1.00 0.00 O ATOM 116 CB VAL A 9 -3.240 -9.300 -6.475 1.00 0.00 C ATOM 117 CG1 VAL A 9 -2.982 -8.580 -5.139 1.00 0.00 C ATOM 118 CG2 VAL A 9 -1.903 -9.562 -7.183 1.00 0.00 C ATOM 0 H VAL A 9 -5.020 -10.533 -4.393 1.00 0.00 H new ATOM 0 HA VAL A 9 -4.279 -11.018 -7.230 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.869 -8.660 -7.094 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -2.460 -7.642 -5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -3.933 -8.374 -4.647 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -2.371 -9.214 -4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.382 -8.617 -7.339 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.288 -10.218 -6.567 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.088 -10.037 -8.146 1.00 0.00 H new ATOM 128 N GLY A 10 -3.140 -12.894 -5.993 1.00 0.00 N ATOM 129 CA GLY A 10 -2.301 -13.947 -5.359 1.00 0.00 C ATOM 130 C GLY A 10 -2.919 -14.326 -4.013 1.00 0.00 C ATOM 131 O GLY A 10 -4.024 -14.827 -3.948 1.00 0.00 O ATOM 0 H GLY A 10 -3.742 -13.216 -6.750 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.241 -14.822 -6.006 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.283 -13.584 -5.218 1.00 0.00 H new ATOM 135 N ASN A 11 -2.212 -14.087 -2.935 1.00 0.00 N ATOM 136 CA ASN A 11 -2.745 -14.425 -1.575 1.00 0.00 C ATOM 137 C ASN A 11 -3.205 -13.145 -0.870 1.00 0.00 C ATOM 138 O ASN A 11 -3.544 -13.163 0.298 1.00 0.00 O ATOM 139 CB ASN A 11 -1.632 -15.078 -0.751 1.00 0.00 C ATOM 140 CG ASN A 11 -1.322 -16.464 -1.319 1.00 0.00 C ATOM 141 OD1 ASN A 11 -1.094 -16.611 -2.504 1.00 0.00 O ATOM 142 ND2 ASN A 11 -1.303 -17.495 -0.519 1.00 0.00 N ATOM 0 H ASN A 11 -1.282 -13.669 -2.938 1.00 0.00 H new ATOM 0 HA ASN A 11 -3.588 -15.109 -1.673 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -0.737 -14.456 -0.772 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -1.938 -15.161 0.292 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -1.097 -18.423 -0.888 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -1.494 -17.373 0.475 1.00 0.00 H new ATOM 149 N LEU A 12 -3.206 -12.028 -1.564 1.00 0.00 N ATOM 150 CA LEU A 12 -3.629 -10.736 -0.935 1.00 0.00 C ATOM 151 C LEU A 12 -5.069 -10.412 -1.345 1.00 0.00 C ATOM 152 O LEU A 12 -5.375 -10.292 -2.515 1.00 0.00 O ATOM 153 CB LEU A 12 -2.697 -9.611 -1.415 1.00 0.00 C ATOM 154 CG LEU A 12 -1.244 -10.100 -1.423 1.00 0.00 C ATOM 155 CD1 LEU A 12 -0.324 -8.940 -1.807 1.00 0.00 C ATOM 156 CD2 LEU A 12 -0.861 -10.618 -0.030 1.00 0.00 C ATOM 0 H LEU A 12 -2.930 -11.958 -2.544 1.00 0.00 H new ATOM 0 HA LEU A 12 -3.573 -10.823 0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.987 -9.290 -2.416 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.794 -8.744 -0.762 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.138 -10.909 -2.146 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.711 -9.283 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.592 -8.576 -2.799 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.434 -8.133 -1.082 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.173 -10.964 -0.042 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.966 -9.814 0.699 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.517 -11.444 0.244 1.00 0.00 H new ATOM 168 N ARG A 13 -5.946 -10.258 -0.383 1.00 0.00 N ATOM 169 CA ARG A 13 -7.378 -9.922 -0.683 1.00 0.00 C ATOM 170 C ARG A 13 -7.677 -8.532 -0.127 1.00 0.00 C ATOM 171 O ARG A 13 -7.299 -8.212 0.980 1.00 0.00 O ATOM 172 CB ARG A 13 -8.292 -10.951 -0.014 1.00 0.00 C ATOM 173 CG ARG A 13 -7.954 -12.348 -0.538 1.00 0.00 C ATOM 174 CD ARG A 13 -8.914 -13.370 0.077 1.00 0.00 C ATOM 175 NE ARG A 13 -8.808 -13.319 1.562 1.00 0.00 N ATOM 176 CZ ARG A 13 -9.402 -14.226 2.290 1.00 0.00 C ATOM 177 NH1 ARG A 13 -10.092 -15.174 1.719 1.00 0.00 N ATOM 178 NH2 ARG A 13 -9.306 -14.183 3.591 1.00 0.00 N ATOM 0 H ARG A 13 -5.730 -10.351 0.610 1.00 0.00 H new ATOM 0 HA ARG A 13 -7.551 -9.937 -1.759 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.166 -10.916 1.068 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.336 -10.716 -0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -8.031 -12.369 -1.625 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.924 -12.603 -0.287 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -9.937 -13.156 -0.233 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -8.675 -14.371 -0.281 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.272 -12.576 2.010 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.168 -15.208 0.702 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.555 -15.882 2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.767 -13.441 4.038 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.770 -14.891 4.160 1.00 0.00 H new ATOM 192 N LEU A 14 -8.332 -7.694 -0.899 1.00 0.00 N ATOM 193 CA LEU A 14 -8.649 -6.301 -0.438 1.00 0.00 C ATOM 194 C LEU A 14 -10.150 -6.035 -0.583 1.00 0.00 C ATOM 195 O LEU A 14 -10.724 -6.235 -1.635 1.00 0.00 O ATOM 196 CB LEU A 14 -7.860 -5.308 -1.308 1.00 0.00 C ATOM 197 CG LEU A 14 -8.117 -3.839 -0.848 1.00 0.00 C ATOM 198 CD1 LEU A 14 -6.822 -3.018 -0.924 1.00 0.00 C ATOM 199 CD2 LEU A 14 -9.168 -3.161 -1.745 1.00 0.00 C ATOM 0 H LEU A 14 -8.664 -7.918 -1.837 1.00 0.00 H new ATOM 0 HA LEU A 14 -8.372 -6.183 0.610 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -6.795 -5.531 -1.247 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -8.151 -5.423 -2.352 1.00 0.00 H new ATOM 0 HG LEU A 14 -8.478 -3.877 0.180 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.019 -1.996 -0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -6.069 -3.465 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.457 -3.009 -1.951 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -9.331 -2.138 -1.405 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -8.814 -3.149 -2.776 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -10.105 -3.715 -1.690 1.00 0.00 H new ATOM 211 N ASN A 15 -10.784 -5.582 0.476 1.00 0.00 N ATOM 212 CA ASN A 15 -12.260 -5.287 0.439 1.00 0.00 C ATOM 213 C ASN A 15 -12.500 -3.816 0.797 1.00 0.00 C ATOM 214 O ASN A 15 -12.423 -3.425 1.944 1.00 0.00 O ATOM 215 CB ASN A 15 -12.976 -6.182 1.459 1.00 0.00 C ATOM 216 CG ASN A 15 -13.044 -7.618 0.930 1.00 0.00 C ATOM 217 OD1 ASN A 15 -12.183 -8.045 0.187 1.00 0.00 O ATOM 218 ND2 ASN A 15 -14.038 -8.384 1.285 1.00 0.00 N ATOM 0 H ASN A 15 -10.338 -5.401 1.375 1.00 0.00 H new ATOM 0 HA ASN A 15 -12.647 -5.482 -0.561 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -12.446 -6.160 2.411 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -13.982 -5.805 1.645 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -14.093 -9.342 0.939 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -14.761 -8.025 1.909 1.00 0.00 H new ATOM 225 N VAL A 16 -12.796 -2.999 -0.180 1.00 0.00 N ATOM 226 CA VAL A 16 -13.048 -1.554 0.097 1.00 0.00 C ATOM 227 C VAL A 16 -14.352 -1.406 0.875 1.00 0.00 C ATOM 228 O VAL A 16 -14.518 -0.494 1.661 1.00 0.00 O ATOM 229 CB VAL A 16 -13.166 -0.792 -1.224 1.00 0.00 C ATOM 230 CG1 VAL A 16 -13.407 0.693 -0.941 1.00 0.00 C ATOM 231 CG2 VAL A 16 -11.873 -0.953 -2.026 1.00 0.00 C ATOM 0 H VAL A 16 -12.874 -3.271 -1.160 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.221 -1.150 0.681 1.00 0.00 H new ATOM 0 HB VAL A 16 -14.002 -1.193 -1.797 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -13.491 1.234 -1.883 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -14.329 0.810 -0.372 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -12.573 1.094 -0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.958 -0.410 -2.967 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -11.037 -0.555 -1.452 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.702 -2.010 -2.232 1.00 0.00 H new ATOM 241 N THR A 17 -15.282 -2.293 0.663 1.00 0.00 N ATOM 242 CA THR A 17 -16.577 -2.200 1.393 1.00 0.00 C ATOM 243 C THR A 17 -16.326 -2.403 2.889 1.00 0.00 C ATOM 244 O THR A 17 -16.698 -1.584 3.705 1.00 0.00 O ATOM 245 CB THR A 17 -17.554 -3.276 0.872 1.00 0.00 C ATOM 246 OG1 THR A 17 -18.407 -3.698 1.929 1.00 0.00 O ATOM 247 CG2 THR A 17 -16.776 -4.482 0.336 1.00 0.00 C ATOM 0 H THR A 17 -15.202 -3.078 0.017 1.00 0.00 H new ATOM 0 HA THR A 17 -17.018 -1.217 1.228 1.00 0.00 H new ATOM 0 HB THR A 17 -18.151 -2.849 0.066 1.00 0.00 H new ATOM 0 HG1 THR A 17 -19.027 -4.380 1.596 1.00 0.00 H new ATOM 0 HG21 THR A 17 -17.476 -5.234 -0.028 1.00 0.00 H new ATOM 0 HG22 THR A 17 -16.128 -4.163 -0.481 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.170 -4.908 1.135 1.00 0.00 H new ATOM 255 N ARG A 18 -15.686 -3.482 3.255 1.00 0.00 N ATOM 256 CA ARG A 18 -15.399 -3.731 4.697 1.00 0.00 C ATOM 257 C ARG A 18 -14.126 -2.976 5.071 1.00 0.00 C ATOM 258 O ARG A 18 -13.826 -2.767 6.229 1.00 0.00 O ATOM 259 CB ARG A 18 -15.190 -5.231 4.932 1.00 0.00 C ATOM 260 CG ARG A 18 -16.379 -6.012 4.366 1.00 0.00 C ATOM 261 CD ARG A 18 -16.117 -7.518 4.480 1.00 0.00 C ATOM 262 NE ARG A 18 -16.238 -7.947 5.909 1.00 0.00 N ATOM 263 CZ ARG A 18 -15.194 -7.957 6.704 1.00 0.00 C ATOM 264 NH1 ARG A 18 -14.023 -7.575 6.268 1.00 0.00 N ATOM 265 NH2 ARG A 18 -15.328 -8.345 7.942 1.00 0.00 N ATOM 0 H ARG A 18 -15.349 -4.202 2.616 1.00 0.00 H new ATOM 0 HA ARG A 18 -16.235 -3.390 5.308 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -14.267 -5.559 4.454 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -15.086 -5.431 5.998 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -17.288 -5.750 4.908 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -16.540 -5.740 3.323 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -16.829 -8.068 3.864 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.121 -7.753 4.103 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.147 -8.236 6.271 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -13.915 -7.266 5.302 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -13.217 -7.586 6.893 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -16.241 -8.639 8.288 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -14.520 -8.355 8.564 1.00 0.00 H new ATOM 279 N ARG A 19 -13.376 -2.573 4.082 1.00 0.00 N ATOM 280 CA ARG A 19 -12.112 -1.830 4.343 1.00 0.00 C ATOM 281 C ARG A 19 -11.185 -2.694 5.205 1.00 0.00 C ATOM 282 O ARG A 19 -11.030 -2.467 6.388 1.00 0.00 O ATOM 283 CB ARG A 19 -12.427 -0.510 5.073 1.00 0.00 C ATOM 284 CG ARG A 19 -11.221 0.457 4.988 1.00 0.00 C ATOM 285 CD ARG A 19 -11.288 1.288 3.699 1.00 0.00 C ATOM 286 NE ARG A 19 -12.549 2.081 3.685 1.00 0.00 N ATOM 287 CZ ARG A 19 -12.779 2.926 2.715 1.00 0.00 C ATOM 288 NH1 ARG A 19 -11.905 3.073 1.758 1.00 0.00 N ATOM 289 NH2 ARG A 19 -13.883 3.622 2.704 1.00 0.00 N ATOM 0 H ARG A 19 -13.587 -2.728 3.096 1.00 0.00 H new ATOM 0 HA ARG A 19 -11.620 -1.604 3.397 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -13.307 -0.043 4.630 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -12.665 -0.713 6.117 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -11.216 1.119 5.854 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -10.290 -0.110 5.014 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -10.427 1.953 3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.248 0.633 2.829 1.00 0.00 H new ATOM 0 HE ARG A 19 -13.233 1.964 4.433 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -11.043 2.529 1.767 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -12.084 3.732 1.001 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -14.566 3.506 3.452 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -14.063 4.282 1.947 1.00 0.00 H new ATOM 303 N LEU A 20 -10.567 -3.682 4.616 1.00 0.00 N ATOM 304 CA LEU A 20 -9.651 -4.559 5.393 1.00 0.00 C ATOM 305 C LEU A 20 -8.887 -5.466 4.422 1.00 0.00 C ATOM 306 O LEU A 20 -9.475 -6.138 3.598 1.00 0.00 O ATOM 307 CB LEU A 20 -10.478 -5.405 6.373 1.00 0.00 C ATOM 308 CG LEU A 20 -9.602 -6.465 7.063 1.00 0.00 C ATOM 309 CD1 LEU A 20 -8.368 -5.808 7.704 1.00 0.00 C ATOM 310 CD2 LEU A 20 -10.433 -7.160 8.147 1.00 0.00 C ATOM 0 H LEU A 20 -10.659 -3.918 3.628 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.938 -3.958 5.957 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.931 -4.758 7.124 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -11.293 -5.893 5.839 1.00 0.00 H new ATOM 0 HG LEU A 20 -9.263 -7.190 6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -7.759 -6.572 8.188 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -7.780 -5.309 6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -8.689 -5.077 8.446 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -9.824 -7.915 8.645 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -10.767 -6.423 8.878 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -11.300 -7.637 7.691 1.00 0.00 H new ATOM 322 N VAL A 21 -7.577 -5.484 4.514 1.00 0.00 N ATOM 323 CA VAL A 21 -6.751 -6.341 3.601 1.00 0.00 C ATOM 324 C VAL A 21 -6.249 -7.570 4.362 1.00 0.00 C ATOM 325 O VAL A 21 -5.828 -7.474 5.498 1.00 0.00 O ATOM 326 CB VAL A 21 -5.547 -5.537 3.109 1.00 0.00 C ATOM 327 CG1 VAL A 21 -4.753 -6.371 2.101 1.00 0.00 C ATOM 328 CG2 VAL A 21 -6.033 -4.254 2.435 1.00 0.00 C ATOM 0 H VAL A 21 -7.040 -4.937 5.188 1.00 0.00 H new ATOM 0 HA VAL A 21 -7.360 -6.658 2.755 1.00 0.00 H new ATOM 0 HB VAL A 21 -4.909 -5.285 3.956 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -3.895 -5.798 1.750 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -4.407 -7.287 2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -5.391 -6.623 1.254 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -5.175 -3.680 2.084 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -6.671 -4.507 1.589 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -6.599 -3.659 3.151 1.00 0.00 H new ATOM 338 N TRP A 22 -6.281 -8.726 3.738 1.00 0.00 N ATOM 339 CA TRP A 22 -5.796 -9.980 4.407 1.00 0.00 C ATOM 340 C TRP A 22 -4.440 -10.373 3.818 1.00 0.00 C ATOM 341 O TRP A 22 -4.203 -10.234 2.632 1.00 0.00 O ATOM 342 CB TRP A 22 -6.797 -11.112 4.164 1.00 0.00 C ATOM 343 CG TRP A 22 -8.059 -10.836 4.917 1.00 0.00 C ATOM 344 CD1 TRP A 22 -8.359 -11.331 6.140 1.00 0.00 C ATOM 345 CD2 TRP A 22 -9.190 -10.011 4.520 1.00 0.00 C ATOM 346 NE1 TRP A 22 -9.603 -10.860 6.518 1.00 0.00 N ATOM 347 CE2 TRP A 22 -10.157 -10.042 5.553 1.00 0.00 C ATOM 348 CE3 TRP A 22 -9.469 -9.246 3.375 1.00 0.00 C ATOM 349 CZ2 TRP A 22 -11.357 -9.338 5.453 1.00 0.00 C ATOM 350 CZ3 TRP A 22 -10.674 -8.536 3.270 1.00 0.00 C ATOM 351 CH2 TRP A 22 -11.617 -8.582 4.307 1.00 0.00 C ATOM 0 H TRP A 22 -6.625 -8.856 2.787 1.00 0.00 H new ATOM 0 HA TRP A 22 -5.698 -9.805 5.478 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -7.009 -11.201 3.099 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -6.371 -12.063 4.484 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -7.730 -11.986 6.725 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -10.057 -11.089 7.402 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -8.750 -9.204 2.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -12.079 -9.377 6.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -10.877 -7.950 2.385 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -12.543 -8.034 4.220 1.00 0.00 H new ATOM 362 N LEU A 23 -3.552 -10.867 4.647 1.00 0.00 N ATOM 363 CA LEU A 23 -2.189 -11.288 4.182 1.00 0.00 C ATOM 364 C LEU A 23 -2.042 -12.786 4.446 1.00 0.00 C ATOM 365 O LEU A 23 -1.831 -13.207 5.564 1.00 0.00 O ATOM 366 CB LEU A 23 -1.141 -10.507 4.988 1.00 0.00 C ATOM 367 CG LEU A 23 0.289 -10.859 4.538 1.00 0.00 C ATOM 368 CD1 LEU A 23 0.572 -10.290 3.133 1.00 0.00 C ATOM 369 CD2 LEU A 23 1.283 -10.259 5.544 1.00 0.00 C ATOM 0 H LEU A 23 -3.716 -10.999 5.645 1.00 0.00 H new ATOM 0 HA LEU A 23 -2.052 -11.087 3.120 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.309 -9.437 4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.256 -10.729 6.049 1.00 0.00 H new ATOM 0 HG LEU A 23 0.397 -11.943 4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.587 -10.549 2.833 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.136 -10.712 2.420 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.465 -9.205 3.151 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.301 -10.500 5.238 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.161 -9.176 5.575 1.00 0.00 H new ATOM 0 HD23 LEU A 23 1.094 -10.674 6.534 1.00 0.00 H new ATOM 381 N GLY A 24 -2.174 -13.599 3.437 1.00 0.00 N ATOM 382 CA GLY A 24 -2.066 -15.064 3.664 1.00 0.00 C ATOM 383 C GLY A 24 -3.310 -15.515 4.427 1.00 0.00 C ATOM 384 O GLY A 24 -3.235 -16.258 5.381 1.00 0.00 O ATOM 0 H GLY A 24 -2.350 -13.315 2.473 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -1.989 -15.592 2.714 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -1.165 -15.297 4.232 1.00 0.00 H new ATOM 388 N GLU A 25 -4.454 -15.045 3.999 1.00 0.00 N ATOM 389 CA GLU A 25 -5.742 -15.402 4.667 1.00 0.00 C ATOM 390 C GLU A 25 -5.777 -14.831 6.091 1.00 0.00 C ATOM 391 O GLU A 25 -6.758 -14.983 6.793 1.00 0.00 O ATOM 392 CB GLU A 25 -5.924 -16.928 4.712 1.00 0.00 C ATOM 393 CG GLU A 25 -5.579 -17.533 3.346 1.00 0.00 C ATOM 394 CD GLU A 25 -6.048 -18.989 3.297 1.00 0.00 C ATOM 395 OE1 GLU A 25 -7.230 -19.203 3.080 1.00 0.00 O ATOM 396 OE2 GLU A 25 -5.219 -19.865 3.477 1.00 0.00 O ATOM 0 H GLU A 25 -4.551 -14.418 3.201 1.00 0.00 H new ATOM 0 HA GLU A 25 -6.559 -14.970 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -5.283 -17.357 5.482 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -6.952 -17.173 4.979 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -6.057 -16.959 2.552 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -4.504 -17.481 3.175 1.00 0.00 H new ATOM 403 N THR A 26 -4.727 -14.165 6.526 1.00 0.00 N ATOM 404 CA THR A 26 -4.722 -13.575 7.911 1.00 0.00 C ATOM 405 C THR A 26 -5.060 -12.086 7.838 1.00 0.00 C ATOM 406 O THR A 26 -4.636 -11.387 6.943 1.00 0.00 O ATOM 407 CB THR A 26 -3.339 -13.737 8.552 1.00 0.00 C ATOM 408 OG1 THR A 26 -2.400 -12.929 7.858 1.00 0.00 O ATOM 409 CG2 THR A 26 -2.898 -15.202 8.497 1.00 0.00 C ATOM 0 H THR A 26 -3.877 -14.005 5.985 1.00 0.00 H new ATOM 0 HA THR A 26 -5.465 -14.097 8.514 1.00 0.00 H new ATOM 0 HB THR A 26 -3.391 -13.425 9.595 1.00 0.00 H new ATOM 0 HG1 THR A 26 -2.554 -13.004 6.893 1.00 0.00 H new ATOM 0 HG21 THR A 26 -1.914 -15.303 8.955 1.00 0.00 H new ATOM 0 HG22 THR A 26 -3.616 -15.819 9.038 1.00 0.00 H new ATOM 0 HG23 THR A 26 -2.850 -15.529 7.458 1.00 0.00 H new ATOM 417 N ALA A 27 -5.827 -11.597 8.772 1.00 0.00 N ATOM 418 CA ALA A 27 -6.197 -10.154 8.754 1.00 0.00 C ATOM 419 C ALA A 27 -4.942 -9.293 8.922 1.00 0.00 C ATOM 420 O ALA A 27 -4.340 -9.252 9.976 1.00 0.00 O ATOM 421 CB ALA A 27 -7.168 -9.864 9.901 1.00 0.00 C ATOM 0 H ALA A 27 -6.214 -12.135 9.548 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.671 -9.917 7.802 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -7.440 -8.809 9.889 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.065 -10.471 9.781 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -6.691 -10.106 10.851 1.00 0.00 H new ATOM 427 N LEU A 28 -4.548 -8.601 7.888 1.00 0.00 N ATOM 428 CA LEU A 28 -3.339 -7.737 7.977 1.00 0.00 C ATOM 429 C LEU A 28 -3.667 -6.525 8.854 1.00 0.00 C ATOM 430 O LEU A 28 -4.701 -5.905 8.703 1.00 0.00 O ATOM 431 CB LEU A 28 -2.960 -7.285 6.559 1.00 0.00 C ATOM 432 CG LEU A 28 -1.592 -6.569 6.527 1.00 0.00 C ATOM 433 CD1 LEU A 28 -0.471 -7.466 7.106 1.00 0.00 C ATOM 434 CD2 LEU A 28 -1.267 -6.208 5.067 1.00 0.00 C ATOM 0 H LEU A 28 -5.015 -8.598 6.981 1.00 0.00 H new ATOM 0 HA LEU A 28 -2.502 -8.279 8.418 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -2.932 -8.151 5.898 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -3.729 -6.615 6.174 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.647 -5.671 7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.478 -6.932 7.069 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.705 -7.718 8.140 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -0.396 -8.380 6.517 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.303 -5.701 5.024 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.226 -7.118 4.468 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.042 -5.549 4.674 1.00 0.00 H new ATOM 446 N ASP A 29 -2.808 -6.189 9.782 1.00 0.00 N ATOM 447 CA ASP A 29 -3.085 -5.024 10.681 1.00 0.00 C ATOM 448 C ASP A 29 -2.501 -3.744 10.084 1.00 0.00 C ATOM 449 O ASP A 29 -1.344 -3.428 10.282 1.00 0.00 O ATOM 450 CB ASP A 29 -2.448 -5.272 12.045 1.00 0.00 C ATOM 451 CG ASP A 29 -2.867 -6.648 12.565 1.00 0.00 C ATOM 452 OD1 ASP A 29 -4.042 -6.961 12.472 1.00 0.00 O ATOM 453 OD2 ASP A 29 -2.007 -7.364 13.048 1.00 0.00 O ATOM 0 H ASP A 29 -1.926 -6.670 9.958 1.00 0.00 H new ATOM 0 HA ASP A 29 -4.164 -4.911 10.787 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -1.362 -5.217 11.966 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.756 -4.497 12.747 1.00 0.00 H new ATOM 458 N LEU A 30 -3.301 -3.008 9.356 1.00 0.00 N ATOM 459 CA LEU A 30 -2.833 -1.726 8.725 1.00 0.00 C ATOM 460 C LEU A 30 -3.796 -0.593 9.103 1.00 0.00 C ATOM 461 O LEU A 30 -4.999 -0.754 9.078 1.00 0.00 O ATOM 462 CB LEU A 30 -2.767 -1.900 7.195 1.00 0.00 C ATOM 463 CG LEU A 30 -4.172 -1.974 6.561 1.00 0.00 C ATOM 464 CD1 LEU A 30 -4.016 -2.172 5.051 1.00 0.00 C ATOM 465 CD2 LEU A 30 -4.976 -3.151 7.155 1.00 0.00 C ATOM 0 H LEU A 30 -4.276 -3.241 9.166 1.00 0.00 H new ATOM 0 HA LEU A 30 -1.837 -1.474 9.088 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -2.216 -1.067 6.759 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.213 -2.808 6.957 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.711 -1.050 6.770 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -5.001 -2.226 4.587 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.462 -1.333 4.629 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -3.473 -3.098 4.860 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.964 -3.186 6.695 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.451 -4.086 6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.082 -3.013 8.231 1.00 0.00 H new ATOM 477 N THR A 31 -3.278 0.548 9.471 1.00 0.00 N ATOM 478 CA THR A 31 -4.175 1.675 9.866 1.00 0.00 C ATOM 479 C THR A 31 -5.025 2.107 8.655 1.00 0.00 C ATOM 480 O THR A 31 -4.609 1.943 7.527 1.00 0.00 O ATOM 481 CB THR A 31 -3.327 2.861 10.344 1.00 0.00 C ATOM 482 OG1 THR A 31 -2.884 3.606 9.218 1.00 0.00 O ATOM 483 CG2 THR A 31 -2.113 2.352 11.127 1.00 0.00 C ATOM 0 H THR A 31 -2.279 0.749 9.516 1.00 0.00 H new ATOM 0 HA THR A 31 -4.832 1.349 10.672 1.00 0.00 H new ATOM 0 HB THR A 31 -3.930 3.496 10.992 1.00 0.00 H new ATOM 0 HG1 THR A 31 -2.343 4.365 9.520 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.516 3.199 11.463 1.00 0.00 H new ATOM 0 HG22 THR A 31 -2.451 1.781 11.991 1.00 0.00 H new ATOM 0 HG23 THR A 31 -1.507 1.713 10.484 1.00 0.00 H new ATOM 491 N PRO A 32 -6.204 2.664 8.869 1.00 0.00 N ATOM 492 CA PRO A 32 -7.078 3.120 7.743 1.00 0.00 C ATOM 493 C PRO A 32 -6.296 3.894 6.670 1.00 0.00 C ATOM 494 O PRO A 32 -6.422 3.639 5.486 1.00 0.00 O ATOM 495 CB PRO A 32 -8.096 4.041 8.435 1.00 0.00 C ATOM 496 CG PRO A 32 -8.224 3.493 9.820 1.00 0.00 C ATOM 497 CD PRO A 32 -6.844 2.916 10.182 1.00 0.00 C ATOM 0 HA PRO A 32 -7.530 2.282 7.213 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -7.750 5.074 8.449 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -9.054 4.033 7.916 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -8.516 4.274 10.522 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -8.992 2.721 9.864 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -6.263 3.617 10.781 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -6.935 1.999 10.764 1.00 0.00 H new ATOM 505 N LYS A 33 -5.494 4.841 7.077 1.00 0.00 N ATOM 506 CA LYS A 33 -4.714 5.632 6.084 1.00 0.00 C ATOM 507 C LYS A 33 -3.935 4.682 5.176 1.00 0.00 C ATOM 508 O LYS A 33 -3.959 4.804 3.969 1.00 0.00 O ATOM 509 CB LYS A 33 -3.735 6.553 6.820 1.00 0.00 C ATOM 510 CG LYS A 33 -4.513 7.654 7.543 1.00 0.00 C ATOM 511 CD LYS A 33 -3.532 8.650 8.164 1.00 0.00 C ATOM 512 CE LYS A 33 -4.308 9.809 8.792 1.00 0.00 C ATOM 513 NZ LYS A 33 -3.356 10.877 9.208 1.00 0.00 N ATOM 0 H LYS A 33 -5.346 5.100 8.052 1.00 0.00 H new ATOM 0 HA LYS A 33 -5.395 6.233 5.482 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.147 5.978 7.536 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.033 6.994 6.113 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.174 8.166 6.843 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.145 7.219 8.317 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -2.924 8.154 8.920 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -2.849 9.026 7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.029 10.207 8.078 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -4.875 9.457 9.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.883 11.665 9.635 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.685 10.492 9.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.834 11.220 8.376 1.00 0.00 H new ATOM 527 N GLU A 34 -3.253 3.728 5.746 1.00 0.00 N ATOM 528 CA GLU A 34 -2.483 2.767 4.910 1.00 0.00 C ATOM 529 C GLU A 34 -3.422 2.119 3.890 1.00 0.00 C ATOM 530 O GLU A 34 -3.100 2.001 2.725 1.00 0.00 O ATOM 531 CB GLU A 34 -1.879 1.688 5.810 1.00 0.00 C ATOM 532 CG GLU A 34 -0.886 2.332 6.779 1.00 0.00 C ATOM 533 CD GLU A 34 -0.185 1.244 7.595 1.00 0.00 C ATOM 534 OE1 GLU A 34 -0.197 0.105 7.160 1.00 0.00 O ATOM 535 OE2 GLU A 34 0.351 1.569 8.641 1.00 0.00 O ATOM 0 H GLU A 34 -3.196 3.573 6.753 1.00 0.00 H new ATOM 0 HA GLU A 34 -1.684 3.291 4.385 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.667 1.179 6.365 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -1.376 0.934 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -0.151 2.917 6.226 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -1.406 3.021 7.444 1.00 0.00 H new ATOM 542 N TYR A 35 -4.585 1.700 4.318 1.00 0.00 N ATOM 543 CA TYR A 35 -5.545 1.058 3.372 1.00 0.00 C ATOM 544 C TYR A 35 -5.713 1.938 2.131 1.00 0.00 C ATOM 545 O TYR A 35 -5.965 1.454 1.044 1.00 0.00 O ATOM 546 CB TYR A 35 -6.904 0.884 4.060 1.00 0.00 C ATOM 547 CG TYR A 35 -7.796 0.008 3.205 1.00 0.00 C ATOM 548 CD1 TYR A 35 -8.476 0.557 2.110 1.00 0.00 C ATOM 549 CD2 TYR A 35 -7.940 -1.354 3.503 1.00 0.00 C ATOM 550 CE1 TYR A 35 -9.298 -0.254 1.315 1.00 0.00 C ATOM 551 CE2 TYR A 35 -8.762 -2.163 2.709 1.00 0.00 C ATOM 552 CZ TYR A 35 -9.440 -1.613 1.616 1.00 0.00 C ATOM 553 OH TYR A 35 -10.246 -2.412 0.834 1.00 0.00 O ATOM 0 H TYR A 35 -4.911 1.775 5.282 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.159 0.083 3.075 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -6.770 0.434 5.044 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.372 1.856 4.215 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -8.367 1.606 1.878 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -7.416 -1.780 4.346 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -9.821 0.170 0.471 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.873 -3.212 2.941 1.00 0.00 H new ATOM 0 HH TYR A 35 -10.335 -3.294 1.251 1.00 0.00 H new ATOM 563 N ALA A 36 -5.573 3.227 2.282 1.00 0.00 N ATOM 564 CA ALA A 36 -5.721 4.130 1.106 1.00 0.00 C ATOM 565 C ALA A 36 -4.524 3.947 0.173 1.00 0.00 C ATOM 566 O ALA A 36 -4.674 3.760 -1.020 1.00 0.00 O ATOM 567 CB ALA A 36 -5.786 5.585 1.579 1.00 0.00 C ATOM 0 H ALA A 36 -5.363 3.692 3.165 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.639 3.885 0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.894 6.243 0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.640 5.714 2.243 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -4.870 5.835 2.114 1.00 0.00 H new ATOM 573 N LEU A 37 -3.332 3.991 0.704 1.00 0.00 N ATOM 574 CA LEU A 37 -2.133 3.811 -0.161 1.00 0.00 C ATOM 575 C LEU A 37 -2.218 2.443 -0.843 1.00 0.00 C ATOM 576 O LEU A 37 -1.972 2.312 -2.025 1.00 0.00 O ATOM 577 CB LEU A 37 -0.856 3.882 0.687 1.00 0.00 C ATOM 578 CG LEU A 37 -0.579 5.327 1.121 1.00 0.00 C ATOM 579 CD1 LEU A 37 -1.656 5.815 2.104 1.00 0.00 C ATOM 580 CD2 LEU A 37 0.799 5.391 1.795 1.00 0.00 C ATOM 0 H LEU A 37 -3.138 4.143 1.694 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.102 4.602 -0.910 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -0.960 3.246 1.566 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -0.011 3.499 0.115 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.597 5.971 0.242 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -1.441 6.842 2.399 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.633 5.773 1.623 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -1.659 5.176 2.987 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.004 6.415 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.808 4.737 2.667 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.564 5.066 1.090 1.00 0.00 H new ATOM 592 N LEU A 38 -2.571 1.422 -0.107 1.00 0.00 N ATOM 593 CA LEU A 38 -2.673 0.067 -0.723 1.00 0.00 C ATOM 594 C LEU A 38 -3.678 0.131 -1.874 1.00 0.00 C ATOM 595 O LEU A 38 -3.466 -0.431 -2.931 1.00 0.00 O ATOM 596 CB LEU A 38 -3.143 -0.958 0.336 1.00 0.00 C ATOM 597 CG LEU A 38 -1.941 -1.548 1.095 1.00 0.00 C ATOM 598 CD1 LEU A 38 -1.309 -0.474 1.983 1.00 0.00 C ATOM 599 CD2 LEU A 38 -2.419 -2.713 1.967 1.00 0.00 C ATOM 0 H LEU A 38 -2.792 1.467 0.888 1.00 0.00 H new ATOM 0 HA LEU A 38 -1.699 -0.247 -1.099 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -3.822 -0.476 1.039 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -3.702 -1.759 -0.149 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.199 -1.902 0.379 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.459 -0.898 2.518 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.971 0.357 1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -2.047 -0.115 2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -1.571 -3.135 2.507 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.161 -2.353 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -2.865 -3.481 1.335 1.00 0.00 H new ATOM 611 N SER A 39 -4.772 0.811 -1.678 1.00 0.00 N ATOM 612 CA SER A 39 -5.793 0.911 -2.757 1.00 0.00 C ATOM 613 C SER A 39 -5.122 1.349 -4.062 1.00 0.00 C ATOM 614 O SER A 39 -5.482 0.902 -5.134 1.00 0.00 O ATOM 615 CB SER A 39 -6.856 1.938 -2.361 1.00 0.00 C ATOM 616 OG SER A 39 -7.297 1.668 -1.037 1.00 0.00 O ATOM 0 H SER A 39 -5.004 1.303 -0.815 1.00 0.00 H new ATOM 0 HA SER A 39 -6.262 -0.062 -2.901 1.00 0.00 H new ATOM 0 HB2 SER A 39 -6.445 2.946 -2.422 1.00 0.00 H new ATOM 0 HB3 SER A 39 -7.697 1.894 -3.053 1.00 0.00 H new ATOM 0 HG SER A 39 -6.652 2.035 -0.396 1.00 0.00 H new ATOM 622 N ARG A 40 -4.148 2.221 -3.987 1.00 0.00 N ATOM 623 CA ARG A 40 -3.464 2.681 -5.233 1.00 0.00 C ATOM 624 C ARG A 40 -2.431 1.637 -5.678 1.00 0.00 C ATOM 625 O ARG A 40 -2.320 1.323 -6.847 1.00 0.00 O ATOM 626 CB ARG A 40 -2.762 4.024 -4.965 1.00 0.00 C ATOM 627 CG ARG A 40 -2.406 4.725 -6.297 1.00 0.00 C ATOM 628 CD ARG A 40 -3.594 5.557 -6.804 1.00 0.00 C ATOM 629 NE ARG A 40 -3.926 6.609 -5.802 1.00 0.00 N ATOM 630 CZ ARG A 40 -4.794 7.539 -6.093 1.00 0.00 C ATOM 631 NH1 ARG A 40 -5.369 7.551 -7.265 1.00 0.00 N ATOM 632 NH2 ARG A 40 -5.085 8.457 -5.214 1.00 0.00 N ATOM 0 H ARG A 40 -3.799 2.632 -3.121 1.00 0.00 H new ATOM 0 HA ARG A 40 -4.203 2.808 -6.024 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.410 4.668 -4.371 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.856 3.858 -4.382 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.538 5.369 -6.155 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.131 3.980 -7.044 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -3.348 6.016 -7.762 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -4.458 4.913 -6.971 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.474 6.602 -4.888 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -5.140 6.834 -7.953 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -6.048 8.278 -7.493 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.634 8.448 -4.299 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.763 9.184 -5.441 1.00 0.00 H new ATOM 646 N LEU A 41 -1.669 1.106 -4.762 1.00 0.00 N ATOM 647 CA LEU A 41 -0.641 0.096 -5.143 1.00 0.00 C ATOM 648 C LEU A 41 -1.311 -1.103 -5.814 1.00 0.00 C ATOM 649 O LEU A 41 -0.888 -1.551 -6.862 1.00 0.00 O ATOM 650 CB LEU A 41 0.112 -0.379 -3.892 1.00 0.00 C ATOM 651 CG LEU A 41 0.997 0.754 -3.325 1.00 0.00 C ATOM 652 CD1 LEU A 41 1.368 0.438 -1.867 1.00 0.00 C ATOM 653 CD2 LEU A 41 2.290 0.898 -4.153 1.00 0.00 C ATOM 0 H LEU A 41 -1.713 1.327 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 41 0.062 0.555 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.601 -0.705 -3.134 1.00 0.00 H new ATOM 0 HB3 LEU A 41 0.731 -1.242 -4.139 1.00 0.00 H new ATOM 0 HG LEU A 41 0.437 1.688 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 41 1.992 1.238 -1.469 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.460 0.355 -1.270 1.00 0.00 H new ATOM 0 HD13 LEU A 41 1.916 -0.504 -1.827 1.00 0.00 H new ATOM 0 HD21 LEU A 41 2.900 1.701 -3.738 1.00 0.00 H new ATOM 0 HD22 LEU A 41 2.849 -0.037 -4.120 1.00 0.00 H new ATOM 0 HD23 LEU A 41 2.036 1.132 -5.187 1.00 0.00 H new ATOM 665 N MET A 42 -2.342 -1.638 -5.223 1.00 0.00 N ATOM 666 CA MET A 42 -3.017 -2.814 -5.840 1.00 0.00 C ATOM 667 C MET A 42 -3.684 -2.395 -7.149 1.00 0.00 C ATOM 668 O MET A 42 -3.726 -3.145 -8.104 1.00 0.00 O ATOM 669 CB MET A 42 -4.071 -3.363 -4.876 1.00 0.00 C ATOM 670 CG MET A 42 -3.377 -3.983 -3.661 1.00 0.00 C ATOM 671 SD MET A 42 -4.602 -4.825 -2.630 1.00 0.00 S ATOM 672 CE MET A 42 -3.439 -5.806 -1.650 1.00 0.00 C ATOM 0 H MET A 42 -2.745 -1.314 -4.344 1.00 0.00 H new ATOM 0 HA MET A 42 -2.278 -3.589 -6.046 1.00 0.00 H new ATOM 0 HB2 MET A 42 -4.740 -2.563 -4.558 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.685 -4.111 -5.379 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.613 -4.689 -3.986 1.00 0.00 H new ATOM 0 HG3 MET A 42 -2.871 -3.209 -3.084 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.990 -6.415 -0.933 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.864 -6.455 -2.310 1.00 0.00 H new ATOM 0 HE3 MET A 42 -2.762 -5.140 -1.115 1.00 0.00 H new ATOM 682 N MET A 43 -4.203 -1.201 -7.205 1.00 0.00 N ATOM 683 CA MET A 43 -4.862 -0.737 -8.456 1.00 0.00 C ATOM 684 C MET A 43 -3.868 -0.855 -9.610 1.00 0.00 C ATOM 685 O MET A 43 -4.242 -1.053 -10.749 1.00 0.00 O ATOM 686 CB MET A 43 -5.292 0.723 -8.298 1.00 0.00 C ATOM 687 CG MET A 43 -5.983 1.194 -9.580 1.00 0.00 C ATOM 688 SD MET A 43 -6.746 2.811 -9.295 1.00 0.00 S ATOM 689 CE MET A 43 -7.616 2.931 -10.877 1.00 0.00 C ATOM 0 H MET A 43 -4.199 -0.527 -6.439 1.00 0.00 H new ATOM 0 HA MET A 43 -5.741 -1.348 -8.660 1.00 0.00 H new ATOM 0 HB2 MET A 43 -5.969 0.824 -7.449 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.424 1.348 -8.090 1.00 0.00 H new ATOM 0 HG2 MET A 43 -5.260 1.259 -10.393 1.00 0.00 H new ATOM 0 HG3 MET A 43 -6.740 0.471 -9.884 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.165 3.871 -10.920 1.00 0.00 H new ATOM 0 HE2 MET A 43 -6.894 2.895 -11.693 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.313 2.099 -10.973 1.00 0.00 H new ATOM 699 N LYS A 44 -2.596 -0.732 -9.310 1.00 0.00 N ATOM 700 CA LYS A 44 -1.532 -0.827 -10.361 1.00 0.00 C ATOM 701 C LYS A 44 -0.638 -2.039 -10.070 1.00 0.00 C ATOM 702 O LYS A 44 0.568 -1.979 -10.211 1.00 0.00 O ATOM 703 CB LYS A 44 -0.685 0.453 -10.313 1.00 0.00 C ATOM 704 CG LYS A 44 -1.480 1.651 -10.882 1.00 0.00 C ATOM 705 CD LYS A 44 -1.374 1.698 -12.415 1.00 0.00 C ATOM 706 CE LYS A 44 -2.014 2.990 -12.927 1.00 0.00 C ATOM 707 NZ LYS A 44 -1.935 3.028 -14.414 1.00 0.00 N ATOM 0 H LYS A 44 -2.245 -0.567 -8.367 1.00 0.00 H new ATOM 0 HA LYS A 44 -1.985 -0.941 -11.346 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -0.388 0.661 -9.285 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.231 0.312 -10.887 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -2.526 1.571 -10.588 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -1.099 2.580 -10.458 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -0.329 1.651 -12.720 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -1.873 0.833 -12.852 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -3.054 3.045 -12.606 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -1.503 3.854 -12.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -2.370 3.906 -14.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.938 2.994 -14.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -2.441 2.210 -14.810 1.00 0.00 H new ATOM 721 N ALA A 45 -1.216 -3.136 -9.664 1.00 0.00 N ATOM 722 CA ALA A 45 -0.398 -4.344 -9.365 1.00 0.00 C ATOM 723 C ALA A 45 0.202 -4.899 -10.662 1.00 0.00 C ATOM 724 O ALA A 45 -0.473 -5.542 -11.441 1.00 0.00 O ATOM 725 CB ALA A 45 -1.283 -5.410 -8.717 1.00 0.00 C ATOM 0 H ALA A 45 -2.221 -3.248 -9.526 1.00 0.00 H new ATOM 0 HA ALA A 45 0.408 -4.073 -8.683 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -0.685 -6.295 -8.498 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -1.705 -5.019 -7.791 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -2.090 -5.677 -9.400 1.00 0.00 H new ATOM 731 N GLY A 46 1.472 -4.657 -10.894 1.00 0.00 N ATOM 732 CA GLY A 46 2.141 -5.170 -12.137 1.00 0.00 C ATOM 733 C GLY A 46 3.047 -4.080 -12.712 1.00 0.00 C ATOM 734 O GLY A 46 3.864 -4.333 -13.575 1.00 0.00 O ATOM 0 H GLY A 46 2.079 -4.123 -10.272 1.00 0.00 H new ATOM 0 HA2 GLY A 46 2.726 -6.061 -11.908 1.00 0.00 H new ATOM 0 HA3 GLY A 46 1.392 -5.461 -12.873 1.00 0.00 H new ATOM 738 N SER A 47 2.897 -2.866 -12.240 1.00 0.00 N ATOM 739 CA SER A 47 3.732 -1.726 -12.748 1.00 0.00 C ATOM 740 C SER A 47 4.279 -0.940 -11.548 1.00 0.00 C ATOM 741 O SER A 47 3.672 -0.923 -10.495 1.00 0.00 O ATOM 742 CB SER A 47 2.846 -0.815 -13.606 1.00 0.00 C ATOM 743 OG SER A 47 2.658 -1.414 -14.880 1.00 0.00 O ATOM 0 H SER A 47 2.225 -2.611 -11.516 1.00 0.00 H new ATOM 0 HA SER A 47 4.564 -2.097 -13.347 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.884 -0.659 -13.118 1.00 0.00 H new ATOM 0 HB3 SER A 47 3.310 0.165 -13.716 1.00 0.00 H new ATOM 0 HG SER A 47 2.091 -0.837 -15.432 1.00 0.00 H new ATOM 749 N PRO A 48 5.412 -0.288 -11.690 1.00 0.00 N ATOM 750 CA PRO A 48 6.009 0.502 -10.574 1.00 0.00 C ATOM 751 C PRO A 48 5.211 1.780 -10.300 1.00 0.00 C ATOM 752 O PRO A 48 5.059 2.625 -11.159 1.00 0.00 O ATOM 753 CB PRO A 48 7.425 0.827 -11.084 1.00 0.00 C ATOM 754 CG PRO A 48 7.286 0.853 -12.573 1.00 0.00 C ATOM 755 CD PRO A 48 6.248 -0.226 -12.907 1.00 0.00 C ATOM 0 HA PRO A 48 6.011 -0.040 -9.628 1.00 0.00 H new ATOM 0 HB2 PRO A 48 7.775 1.785 -10.701 1.00 0.00 H new ATOM 0 HB3 PRO A 48 8.145 0.074 -10.765 1.00 0.00 H new ATOM 0 HG2 PRO A 48 6.958 1.833 -12.919 1.00 0.00 H new ATOM 0 HG3 PRO A 48 8.239 0.645 -13.060 1.00 0.00 H new ATOM 0 HD2 PRO A 48 5.660 0.041 -13.785 1.00 0.00 H new ATOM 0 HD3 PRO A 48 6.720 -1.185 -13.119 1.00 0.00 H new ATOM 763 N VAL A 49 4.697 1.925 -9.106 1.00 0.00 N ATOM 764 CA VAL A 49 3.904 3.142 -8.765 1.00 0.00 C ATOM 765 C VAL A 49 4.829 4.211 -8.185 1.00 0.00 C ATOM 766 O VAL A 49 5.636 3.941 -7.320 1.00 0.00 O ATOM 767 CB VAL A 49 2.841 2.774 -7.727 1.00 0.00 C ATOM 768 CG1 VAL A 49 2.078 4.031 -7.292 1.00 0.00 C ATOM 769 CG2 VAL A 49 1.864 1.769 -8.341 1.00 0.00 C ATOM 0 H VAL A 49 4.794 1.248 -8.349 1.00 0.00 H new ATOM 0 HA VAL A 49 3.424 3.529 -9.664 1.00 0.00 H new ATOM 0 HB VAL A 49 3.325 2.332 -6.856 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.323 3.761 -6.553 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.775 4.746 -6.855 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.593 4.480 -8.159 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.105 1.504 -7.605 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.385 2.214 -9.213 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.406 0.873 -8.643 1.00 0.00 H new ATOM 779 N HIS A 50 4.705 5.428 -8.637 1.00 0.00 N ATOM 780 CA HIS A 50 5.569 6.507 -8.088 1.00 0.00 C ATOM 781 C HIS A 50 5.206 6.712 -6.612 1.00 0.00 C ATOM 782 O HIS A 50 4.070 6.979 -6.274 1.00 0.00 O ATOM 783 CB HIS A 50 5.332 7.803 -8.881 1.00 0.00 C ATOM 784 CG HIS A 50 6.462 8.777 -8.653 1.00 0.00 C ATOM 785 ND1 HIS A 50 6.540 9.983 -9.337 1.00 0.00 N ATOM 786 CD2 HIS A 50 7.564 8.742 -7.830 1.00 0.00 C ATOM 787 CE1 HIS A 50 7.651 10.617 -8.918 1.00 0.00 C ATOM 788 NE2 HIS A 50 8.306 9.904 -8.002 1.00 0.00 N ATOM 0 H HIS A 50 4.046 5.720 -9.359 1.00 0.00 H new ATOM 0 HA HIS A 50 6.621 6.235 -8.172 1.00 0.00 H new ATOM 0 HB2 HIS A 50 5.249 7.576 -9.944 1.00 0.00 H new ATOM 0 HB3 HIS A 50 4.388 8.255 -8.577 1.00 0.00 H new ATOM 0 HD2 HIS A 50 7.813 7.937 -7.155 1.00 0.00 H new ATOM 0 HE1 HIS A 50 7.972 11.583 -9.279 1.00 0.00 H new ATOM 0 HE2 HIS A 50 9.172 10.158 -7.526 1.00 0.00 H new ATOM 797 N ARG A 51 6.158 6.576 -5.731 1.00 0.00 N ATOM 798 CA ARG A 51 5.868 6.747 -4.277 1.00 0.00 C ATOM 799 C ARG A 51 5.124 8.063 -4.054 1.00 0.00 C ATOM 800 O ARG A 51 4.536 8.289 -3.015 1.00 0.00 O ATOM 801 CB ARG A 51 7.177 6.753 -3.479 1.00 0.00 C ATOM 802 CG ARG A 51 8.176 7.726 -4.117 1.00 0.00 C ATOM 803 CD ARG A 51 9.328 7.995 -3.145 1.00 0.00 C ATOM 804 NE ARG A 51 10.361 8.834 -3.815 1.00 0.00 N ATOM 805 CZ ARG A 51 11.517 9.029 -3.241 1.00 0.00 C ATOM 806 NH1 ARG A 51 11.769 8.490 -2.079 1.00 0.00 N ATOM 807 NH2 ARG A 51 12.422 9.763 -3.830 1.00 0.00 N ATOM 0 H ARG A 51 7.128 6.353 -5.955 1.00 0.00 H new ATOM 0 HA ARG A 51 5.248 5.918 -3.937 1.00 0.00 H new ATOM 0 HB2 ARG A 51 6.982 7.044 -2.447 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.601 5.749 -3.452 1.00 0.00 H new ATOM 0 HG2 ARG A 51 8.562 7.308 -5.047 1.00 0.00 H new ATOM 0 HG3 ARG A 51 7.676 8.661 -4.371 1.00 0.00 H new ATOM 0 HD2 ARG A 51 8.955 8.501 -2.255 1.00 0.00 H new ATOM 0 HD3 ARG A 51 9.767 7.053 -2.816 1.00 0.00 H new ATOM 0 HE ARG A 51 10.165 9.256 -4.723 1.00 0.00 H new ATOM 0 HH11 ARG A 51 11.062 7.916 -1.619 1.00 0.00 H new ATOM 0 HH12 ARG A 51 12.673 8.643 -1.631 1.00 0.00 H new ATOM 0 HH21 ARG A 51 12.225 10.184 -4.738 1.00 0.00 H new ATOM 0 HH22 ARG A 51 13.325 9.916 -3.382 1.00 0.00 H new ATOM 821 N GLU A 52 5.147 8.934 -5.022 1.00 0.00 N ATOM 822 CA GLU A 52 4.447 10.235 -4.868 1.00 0.00 C ATOM 823 C GLU A 52 2.935 10.005 -4.773 1.00 0.00 C ATOM 824 O GLU A 52 2.286 10.501 -3.874 1.00 0.00 O ATOM 825 CB GLU A 52 4.750 11.123 -6.078 1.00 0.00 C ATOM 826 CG GLU A 52 6.223 11.540 -6.052 1.00 0.00 C ATOM 827 CD GLU A 52 6.456 12.540 -4.918 1.00 0.00 C ATOM 828 OE1 GLU A 52 6.265 13.722 -5.148 1.00 0.00 O ATOM 829 OE2 GLU A 52 6.822 12.105 -3.839 1.00 0.00 O ATOM 0 H GLU A 52 5.622 8.800 -5.915 1.00 0.00 H new ATOM 0 HA GLU A 52 4.795 10.723 -3.957 1.00 0.00 H new ATOM 0 HB2 GLU A 52 4.530 10.586 -7.000 1.00 0.00 H new ATOM 0 HB3 GLU A 52 4.111 12.006 -6.063 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.857 10.664 -5.913 1.00 0.00 H new ATOM 0 HG3 GLU A 52 6.501 11.987 -7.007 1.00 0.00 H new ATOM 836 N ILE A 53 2.367 9.258 -5.685 1.00 0.00 N ATOM 837 CA ILE A 53 0.895 9.010 -5.640 1.00 0.00 C ATOM 838 C ILE A 53 0.509 8.387 -4.297 1.00 0.00 C ATOM 839 O ILE A 53 -0.568 8.619 -3.785 1.00 0.00 O ATOM 840 CB ILE A 53 0.497 8.069 -6.783 1.00 0.00 C ATOM 841 CG1 ILE A 53 1.063 8.608 -8.103 1.00 0.00 C ATOM 842 CG2 ILE A 53 -1.031 7.997 -6.881 1.00 0.00 C ATOM 843 CD1 ILE A 53 0.689 7.666 -9.250 1.00 0.00 C ATOM 0 H ILE A 53 2.859 8.810 -6.458 1.00 0.00 H new ATOM 0 HA ILE A 53 0.370 9.958 -5.753 1.00 0.00 H new ATOM 0 HB ILE A 53 0.896 7.073 -6.589 1.00 0.00 H new ATOM 0 HG12 ILE A 53 0.670 9.606 -8.297 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.147 8.700 -8.034 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.312 7.328 -7.694 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -1.438 7.620 -5.943 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.430 8.992 -7.076 1.00 0.00 H new ATOM 0 HD11 ILE A 53 1.093 8.053 -10.185 1.00 0.00 H new ATOM 0 HD12 ILE A 53 1.103 6.676 -9.058 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -0.396 7.597 -9.325 1.00 0.00 H new ATOM 855 N LEU A 54 1.377 7.610 -3.712 1.00 0.00 N ATOM 856 CA LEU A 54 1.044 6.996 -2.396 1.00 0.00 C ATOM 857 C LEU A 54 0.942 8.114 -1.356 1.00 0.00 C ATOM 858 O LEU A 54 0.148 8.065 -0.441 1.00 0.00 O ATOM 859 CB LEU A 54 2.146 6.011 -1.990 1.00 0.00 C ATOM 860 CG LEU A 54 2.514 5.118 -3.181 1.00 0.00 C ATOM 861 CD1 LEU A 54 3.586 4.109 -2.746 1.00 0.00 C ATOM 862 CD2 LEU A 54 1.267 4.367 -3.677 1.00 0.00 C ATOM 0 H LEU A 54 2.297 7.374 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 54 0.099 6.457 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 54 3.026 6.557 -1.648 1.00 0.00 H new ATOM 0 HB3 LEU A 54 1.807 5.397 -1.155 1.00 0.00 H new ATOM 0 HG LEU A 54 2.901 5.736 -3.991 1.00 0.00 H new ATOM 0 HD11 LEU A 54 3.850 3.472 -3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 54 4.472 4.644 -2.404 1.00 0.00 H new ATOM 0 HD13 LEU A 54 3.198 3.493 -1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.536 3.735 -4.523 1.00 0.00 H new ATOM 0 HD22 LEU A 54 0.871 3.748 -2.872 1.00 0.00 H new ATOM 0 HD23 LEU A 54 0.509 5.086 -3.988 1.00 0.00 H new ATOM 874 N TYR A 55 1.729 9.139 -1.508 1.00 0.00 N ATOM 875 CA TYR A 55 1.668 10.272 -0.545 1.00 0.00 C ATOM 876 C TYR A 55 0.388 11.063 -0.819 1.00 0.00 C ATOM 877 O TYR A 55 -0.255 11.562 0.081 1.00 0.00 O ATOM 878 CB TYR A 55 2.900 11.172 -0.741 1.00 0.00 C ATOM 879 CG TYR A 55 3.106 12.051 0.478 1.00 0.00 C ATOM 880 CD1 TYR A 55 3.539 11.480 1.680 1.00 0.00 C ATOM 881 CD2 TYR A 55 2.872 13.434 0.405 1.00 0.00 C ATOM 882 CE1 TYR A 55 3.738 12.284 2.808 1.00 0.00 C ATOM 883 CE2 TYR A 55 3.070 14.237 1.535 1.00 0.00 C ATOM 884 CZ TYR A 55 3.505 13.662 2.735 1.00 0.00 C ATOM 885 OH TYR A 55 3.702 14.455 3.847 1.00 0.00 O ATOM 0 H TYR A 55 2.413 9.242 -2.258 1.00 0.00 H new ATOM 0 HA TYR A 55 1.663 9.905 0.481 1.00 0.00 H new ATOM 0 HB2 TYR A 55 3.785 10.558 -0.909 1.00 0.00 H new ATOM 0 HB3 TYR A 55 2.769 11.792 -1.628 1.00 0.00 H new ATOM 0 HD1 TYR A 55 3.720 10.417 1.737 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.540 13.878 -0.522 1.00 0.00 H new ATOM 0 HE1 TYR A 55 4.071 11.841 3.735 1.00 0.00 H new ATOM 0 HE2 TYR A 55 2.887 15.300 1.481 1.00 0.00 H new ATOM 0 HH TYR A 55 3.496 15.387 3.625 1.00 0.00 H new ATOM 895 N ASN A 56 0.017 11.160 -2.066 1.00 0.00 N ATOM 896 CA ASN A 56 -1.217 11.903 -2.442 1.00 0.00 C ATOM 897 C ASN A 56 -2.445 11.220 -1.837 1.00 0.00 C ATOM 898 O ASN A 56 -3.483 11.829 -1.671 1.00 0.00 O ATOM 899 CB ASN A 56 -1.346 11.928 -3.967 1.00 0.00 C ATOM 900 CG ASN A 56 -0.224 12.782 -4.565 1.00 0.00 C ATOM 901 OD1 ASN A 56 0.914 12.222 -4.876 1.00 0.00 O flip ATOM 902 ND2 ASN A 56 -0.384 13.972 -4.752 1.00 0.00 N flip ATOM 0 H ASN A 56 0.524 10.750 -2.850 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.153 12.922 -2.060 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -1.295 10.914 -4.363 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -2.317 12.333 -4.253 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -1.272 14.411 -4.510 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.370 14.531 -5.151 1.00 0.00 H new ATOM 909 N ASP A 57 -2.344 9.959 -1.509 1.00 0.00 N ATOM 910 CA ASP A 57 -3.519 9.263 -0.922 1.00 0.00 C ATOM 911 C ASP A 57 -4.016 10.050 0.295 1.00 0.00 C ATOM 912 O ASP A 57 -5.175 10.403 0.386 1.00 0.00 O ATOM 913 CB ASP A 57 -3.127 7.841 -0.506 1.00 0.00 C ATOM 914 CG ASP A 57 -2.999 6.958 -1.751 1.00 0.00 C ATOM 915 OD1 ASP A 57 -2.148 7.251 -2.574 1.00 0.00 O ATOM 916 OD2 ASP A 57 -3.761 6.012 -1.863 1.00 0.00 O ATOM 0 H ASP A 57 -1.506 9.388 -1.622 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.316 9.203 -1.663 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -2.183 7.858 0.039 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -3.877 7.429 0.169 1.00 0.00 H new ATOM 1089 N THR A 69 9.742 13.049 8.171 1.00 0.00 N ATOM 1090 CA THR A 69 8.483 12.565 8.805 1.00 0.00 C ATOM 1091 C THR A 69 7.632 11.841 7.760 1.00 0.00 C ATOM 1092 O THR A 69 6.979 10.858 8.049 1.00 0.00 O ATOM 1093 CB THR A 69 7.700 13.755 9.364 1.00 0.00 C ATOM 1094 OG1 THR A 69 8.498 14.437 10.322 1.00 0.00 O ATOM 1095 CG2 THR A 69 6.416 13.258 10.029 1.00 0.00 C ATOM 0 HA THR A 69 8.727 11.879 9.616 1.00 0.00 H new ATOM 0 HB THR A 69 7.445 14.435 8.552 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.441 14.382 10.061 1.00 0.00 H new ATOM 0 HG21 THR A 69 5.860 14.107 10.426 1.00 0.00 H new ATOM 0 HG22 THR A 69 5.804 12.736 9.294 1.00 0.00 H new ATOM 0 HG23 THR A 69 6.667 12.577 10.842 1.00 0.00 H new ATOM 1103 N LEU A 70 7.639 12.317 6.548 1.00 0.00 N ATOM 1104 CA LEU A 70 6.835 11.655 5.483 1.00 0.00 C ATOM 1105 C LEU A 70 7.481 10.307 5.139 1.00 0.00 C ATOM 1106 O LEU A 70 6.822 9.288 5.082 1.00 0.00 O ATOM 1107 CB LEU A 70 6.776 12.561 4.226 1.00 0.00 C ATOM 1108 CG LEU A 70 8.076 13.408 4.102 1.00 0.00 C ATOM 1109 CD1 LEU A 70 8.395 13.673 2.622 1.00 0.00 C ATOM 1110 CD2 LEU A 70 7.906 14.759 4.828 1.00 0.00 C ATOM 0 H LEU A 70 8.167 13.136 6.247 1.00 0.00 H new ATOM 0 HA LEU A 70 5.817 11.490 5.836 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.648 11.947 3.334 1.00 0.00 H new ATOM 0 HB3 LEU A 70 5.910 13.220 4.286 1.00 0.00 H new ATOM 0 HG LEU A 70 8.893 12.850 4.559 1.00 0.00 H new ATOM 0 HD11 LEU A 70 9.306 14.266 2.547 1.00 0.00 H new ATOM 0 HD12 LEU A 70 8.536 12.724 2.105 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.569 14.217 2.164 1.00 0.00 H new ATOM 0 HD21 LEU A 70 8.823 15.341 4.733 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.078 15.310 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.697 14.581 5.883 1.00 0.00 H new ATOM 1122 N GLU A 71 8.765 10.294 4.910 1.00 0.00 N ATOM 1123 CA GLU A 71 9.447 9.015 4.571 1.00 0.00 C ATOM 1124 C GLU A 71 9.489 8.118 5.807 1.00 0.00 C ATOM 1125 O GLU A 71 9.564 6.910 5.707 1.00 0.00 O ATOM 1126 CB GLU A 71 10.873 9.304 4.099 1.00 0.00 C ATOM 1127 CG GLU A 71 10.834 10.259 2.904 1.00 0.00 C ATOM 1128 CD GLU A 71 10.170 9.562 1.715 1.00 0.00 C ATOM 1129 OE1 GLU A 71 10.827 8.746 1.090 1.00 0.00 O ATOM 1130 OE2 GLU A 71 9.016 9.856 1.451 1.00 0.00 O ATOM 0 H GLU A 71 9.371 11.114 4.943 1.00 0.00 H new ATOM 0 HA GLU A 71 8.899 8.511 3.775 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.453 9.744 4.910 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.370 8.375 3.819 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.282 11.162 3.164 1.00 0.00 H new ATOM 0 HG3 GLU A 71 11.845 10.569 2.639 1.00 0.00 H new ATOM 1137 N VAL A 72 9.444 8.698 6.976 1.00 0.00 N ATOM 1138 CA VAL A 72 9.482 7.873 8.216 1.00 0.00 C ATOM 1139 C VAL A 72 8.128 7.206 8.425 1.00 0.00 C ATOM 1140 O VAL A 72 8.044 6.035 8.736 1.00 0.00 O ATOM 1141 CB VAL A 72 9.802 8.763 9.416 1.00 0.00 C ATOM 1142 CG1 VAL A 72 10.113 7.892 10.634 1.00 0.00 C ATOM 1143 CG2 VAL A 72 11.014 9.639 9.091 1.00 0.00 C ATOM 0 H VAL A 72 9.383 9.705 7.125 1.00 0.00 H new ATOM 0 HA VAL A 72 10.253 7.109 8.117 1.00 0.00 H new ATOM 0 HB VAL A 72 8.943 9.397 9.636 1.00 0.00 H new ATOM 0 HG11 VAL A 72 10.341 8.529 11.488 1.00 0.00 H new ATOM 0 HG12 VAL A 72 9.249 7.269 10.866 1.00 0.00 H new ATOM 0 HG13 VAL A 72 10.971 7.256 10.417 1.00 0.00 H new ATOM 0 HG21 VAL A 72 11.243 10.275 9.946 1.00 0.00 H new ATOM 0 HG22 VAL A 72 11.872 9.005 8.870 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.791 10.262 8.225 1.00 0.00 H new ATOM 1153 N HIS A 73 7.061 7.932 8.234 1.00 0.00 N ATOM 1154 CA HIS A 73 5.715 7.318 8.400 1.00 0.00 C ATOM 1155 C HIS A 73 5.658 6.086 7.501 1.00 0.00 C ATOM 1156 O HIS A 73 5.122 5.055 7.857 1.00 0.00 O ATOM 1157 CB HIS A 73 4.633 8.316 7.983 1.00 0.00 C ATOM 1158 CG HIS A 73 3.277 7.695 8.175 1.00 0.00 C ATOM 1159 ND1 HIS A 73 2.852 6.601 7.433 1.00 0.00 N ATOM 1160 CD2 HIS A 73 2.237 8.003 9.020 1.00 0.00 C ATOM 1161 CE1 HIS A 73 1.607 6.293 7.842 1.00 0.00 C ATOM 1162 NE2 HIS A 73 1.188 7.116 8.805 1.00 0.00 N ATOM 0 H HIS A 73 7.063 8.918 7.972 1.00 0.00 H new ATOM 0 HA HIS A 73 5.544 7.043 9.441 1.00 0.00 H new ATOM 0 HB2 HIS A 73 4.715 9.227 8.576 1.00 0.00 H new ATOM 0 HB3 HIS A 73 4.769 8.602 6.940 1.00 0.00 H new ATOM 0 HD2 HIS A 73 2.235 8.809 9.739 1.00 0.00 H new ATOM 0 HE1 HIS A 73 1.020 5.480 7.440 1.00 0.00 H new ATOM 0 HE2 HIS A 73 0.287 7.098 9.283 1.00 0.00 H new ATOM 1171 N ILE A 74 6.230 6.197 6.334 1.00 0.00 N ATOM 1172 CA ILE A 74 6.236 5.043 5.401 1.00 0.00 C ATOM 1173 C ILE A 74 7.113 3.946 5.999 1.00 0.00 C ATOM 1174 O ILE A 74 6.798 2.776 5.922 1.00 0.00 O ATOM 1175 CB ILE A 74 6.774 5.481 4.030 1.00 0.00 C ATOM 1176 CG1 ILE A 74 5.748 6.409 3.366 1.00 0.00 C ATOM 1177 CG2 ILE A 74 7.001 4.250 3.138 1.00 0.00 C ATOM 1178 CD1 ILE A 74 6.366 7.076 2.136 1.00 0.00 C ATOM 0 H ILE A 74 6.693 7.038 5.989 1.00 0.00 H new ATOM 0 HA ILE A 74 5.224 4.665 5.260 1.00 0.00 H new ATOM 0 HB ILE A 74 7.721 6.004 4.161 1.00 0.00 H new ATOM 0 HG12 ILE A 74 4.865 5.840 3.076 1.00 0.00 H new ATOM 0 HG13 ILE A 74 5.419 7.169 4.075 1.00 0.00 H new ATOM 0 HG21 ILE A 74 7.382 4.569 2.168 1.00 0.00 H new ATOM 0 HG22 ILE A 74 7.724 3.586 3.612 1.00 0.00 H new ATOM 0 HG23 ILE A 74 6.058 3.721 3.001 1.00 0.00 H new ATOM 0 HD11 ILE A 74 5.631 7.733 1.671 1.00 0.00 H new ATOM 0 HD12 ILE A 74 7.236 7.660 2.437 1.00 0.00 H new ATOM 0 HD13 ILE A 74 6.672 6.311 1.422 1.00 0.00 H new ATOM 1190 N HIS A 75 8.213 4.310 6.598 1.00 0.00 N ATOM 1191 CA HIS A 75 9.095 3.275 7.200 1.00 0.00 C ATOM 1192 C HIS A 75 8.318 2.523 8.278 1.00 0.00 C ATOM 1193 O HIS A 75 8.490 1.336 8.472 1.00 0.00 O ATOM 1194 CB HIS A 75 10.323 3.944 7.821 1.00 0.00 C ATOM 1195 CG HIS A 75 11.307 2.892 8.252 1.00 0.00 C ATOM 1196 ND1 HIS A 75 10.968 1.881 9.140 1.00 0.00 N ATOM 1197 CD2 HIS A 75 12.624 2.679 7.927 1.00 0.00 C ATOM 1198 CE1 HIS A 75 12.060 1.113 9.318 1.00 0.00 C ATOM 1199 NE2 HIS A 75 13.093 1.558 8.601 1.00 0.00 N ATOM 0 H HIS A 75 8.536 5.272 6.696 1.00 0.00 H new ATOM 0 HA HIS A 75 9.421 2.577 6.429 1.00 0.00 H new ATOM 0 HB2 HIS A 75 10.787 4.616 7.100 1.00 0.00 H new ATOM 0 HB3 HIS A 75 10.026 4.550 8.677 1.00 0.00 H new ATOM 0 HD1 HIS A 75 10.057 1.744 9.578 1.00 0.00 H new ATOM 0 HD2 HIS A 75 13.206 3.289 7.252 1.00 0.00 H new ATOM 0 HE1 HIS A 75 12.095 0.246 9.961 1.00 0.00 H new ATOM 1208 N ASN A 76 7.452 3.207 8.974 1.00 0.00 N ATOM 1209 CA ASN A 76 6.650 2.536 10.035 1.00 0.00 C ATOM 1210 C ASN A 76 5.536 1.723 9.377 1.00 0.00 C ATOM 1211 O ASN A 76 5.233 0.619 9.784 1.00 0.00 O ATOM 1212 CB ASN A 76 6.036 3.591 10.957 1.00 0.00 C ATOM 1213 CG ASN A 76 7.149 4.319 11.714 1.00 0.00 C ATOM 1214 OD1 ASN A 76 7.957 3.697 12.375 1.00 0.00 O ATOM 1215 ND2 ASN A 76 7.226 5.619 11.645 1.00 0.00 N ATOM 0 H ASN A 76 7.265 4.202 8.853 1.00 0.00 H new ATOM 0 HA ASN A 76 7.292 1.877 10.620 1.00 0.00 H new ATOM 0 HB2 ASN A 76 5.452 4.303 10.374 1.00 0.00 H new ATOM 0 HB3 ASN A 76 5.351 3.119 11.662 1.00 0.00 H new ATOM 0 HD21 ASN A 76 7.964 6.113 12.146 1.00 0.00 H new ATOM 0 HD22 ASN A 76 6.548 6.141 11.090 1.00 0.00 H new ATOM 1222 N LEU A 77 4.921 2.265 8.365 1.00 0.00 N ATOM 1223 CA LEU A 77 3.818 1.534 7.676 1.00 0.00 C ATOM 1224 C LEU A 77 4.413 0.317 6.959 1.00 0.00 C ATOM 1225 O LEU A 77 3.866 -0.767 6.990 1.00 0.00 O ATOM 1226 CB LEU A 77 3.104 2.529 6.697 1.00 0.00 C ATOM 1227 CG LEU A 77 3.137 2.077 5.214 1.00 0.00 C ATOM 1228 CD1 LEU A 77 2.334 0.759 5.009 1.00 0.00 C ATOM 1229 CD2 LEU A 77 2.542 3.201 4.348 1.00 0.00 C ATOM 0 H LEU A 77 5.134 3.186 7.982 1.00 0.00 H new ATOM 0 HA LEU A 77 3.070 1.166 8.378 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.066 2.649 7.008 1.00 0.00 H new ATOM 0 HB3 LEU A 77 3.576 3.508 6.780 1.00 0.00 H new ATOM 0 HG LEU A 77 4.169 1.881 4.922 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.375 0.467 3.960 1.00 0.00 H new ATOM 0 HD12 LEU A 77 2.768 -0.031 5.623 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.296 0.916 5.301 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.557 2.900 3.300 1.00 0.00 H new ATOM 0 HD22 LEU A 77 1.514 3.392 4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 77 3.133 4.108 4.473 1.00 0.00 H new ATOM 1241 N ARG A 78 5.523 0.498 6.309 1.00 0.00 N ATOM 1242 CA ARG A 78 6.167 -0.625 5.572 1.00 0.00 C ATOM 1243 C ARG A 78 6.327 -1.842 6.493 1.00 0.00 C ATOM 1244 O ARG A 78 5.976 -2.949 6.138 1.00 0.00 O ATOM 1245 CB ARG A 78 7.548 -0.159 5.091 1.00 0.00 C ATOM 1246 CG ARG A 78 8.224 -1.236 4.222 1.00 0.00 C ATOM 1247 CD ARG A 78 7.431 -1.488 2.923 1.00 0.00 C ATOM 1248 NE ARG A 78 6.879 -0.207 2.395 1.00 0.00 N ATOM 1249 CZ ARG A 78 5.988 -0.224 1.441 1.00 0.00 C ATOM 1250 NH1 ARG A 78 5.585 -1.361 0.942 1.00 0.00 N ATOM 1251 NH2 ARG A 78 5.505 0.897 0.980 1.00 0.00 N ATOM 0 H ARG A 78 6.020 1.387 6.254 1.00 0.00 H new ATOM 0 HA ARG A 78 5.546 -0.912 4.723 1.00 0.00 H new ATOM 0 HB2 ARG A 78 7.445 0.763 4.519 1.00 0.00 H new ATOM 0 HB3 ARG A 78 8.179 0.068 5.951 1.00 0.00 H new ATOM 0 HG2 ARG A 78 9.239 -0.923 3.976 1.00 0.00 H new ATOM 0 HG3 ARG A 78 8.305 -2.164 4.787 1.00 0.00 H new ATOM 0 HD2 ARG A 78 8.079 -1.947 2.177 1.00 0.00 H new ATOM 0 HD3 ARG A 78 6.619 -2.190 3.115 1.00 0.00 H new ATOM 0 HE ARG A 78 7.198 0.682 2.779 1.00 0.00 H new ATOM 0 HH11 ARG A 78 5.966 -2.238 1.297 1.00 0.00 H new ATOM 0 HH12 ARG A 78 4.889 -1.373 0.197 1.00 0.00 H new ATOM 0 HH21 ARG A 78 5.824 1.786 1.365 1.00 0.00 H new ATOM 0 HH22 ARG A 78 4.809 0.884 0.235 1.00 0.00 H new ATOM 1265 N GLU A 79 6.875 -1.648 7.660 1.00 0.00 N ATOM 1266 CA GLU A 79 7.085 -2.799 8.590 1.00 0.00 C ATOM 1267 C GLU A 79 5.743 -3.390 9.038 1.00 0.00 C ATOM 1268 O GLU A 79 5.655 -4.554 9.375 1.00 0.00 O ATOM 1269 CB GLU A 79 7.861 -2.321 9.819 1.00 0.00 C ATOM 1270 CG GLU A 79 9.249 -1.837 9.392 1.00 0.00 C ATOM 1271 CD GLU A 79 10.096 -3.033 8.955 1.00 0.00 C ATOM 1272 OE1 GLU A 79 10.408 -3.855 9.801 1.00 0.00 O ATOM 1273 OE2 GLU A 79 10.418 -3.108 7.780 1.00 0.00 O ATOM 0 H GLU A 79 7.187 -0.743 8.012 1.00 0.00 H new ATOM 0 HA GLU A 79 7.648 -3.571 8.066 1.00 0.00 H new ATOM 0 HB2 GLU A 79 7.319 -1.514 10.313 1.00 0.00 H new ATOM 0 HB3 GLU A 79 7.954 -3.132 10.541 1.00 0.00 H new ATOM 0 HG2 GLU A 79 9.160 -1.123 8.574 1.00 0.00 H new ATOM 0 HG3 GLU A 79 9.734 -1.317 10.218 1.00 0.00 H new ATOM 1280 N LYS A 80 4.704 -2.604 9.063 1.00 0.00 N ATOM 1281 CA LYS A 80 3.386 -3.134 9.511 1.00 0.00 C ATOM 1282 C LYS A 80 2.810 -4.094 8.462 1.00 0.00 C ATOM 1283 O LYS A 80 2.308 -5.150 8.791 1.00 0.00 O ATOM 1284 CB LYS A 80 2.413 -1.965 9.730 1.00 0.00 C ATOM 1285 CG LYS A 80 2.774 -1.226 11.023 1.00 0.00 C ATOM 1286 CD LYS A 80 1.815 -0.050 11.225 1.00 0.00 C ATOM 1287 CE LYS A 80 2.107 0.624 12.566 1.00 0.00 C ATOM 1288 NZ LYS A 80 3.438 1.293 12.506 1.00 0.00 N ATOM 0 H LYS A 80 4.710 -1.620 8.794 1.00 0.00 H new ATOM 0 HA LYS A 80 3.523 -3.679 10.445 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.457 -1.279 8.884 1.00 0.00 H new ATOM 0 HB3 LYS A 80 1.390 -2.337 9.786 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.715 -1.907 11.872 1.00 0.00 H new ATOM 0 HG3 LYS A 80 3.802 -0.866 10.974 1.00 0.00 H new ATOM 0 HD2 LYS A 80 1.928 0.668 10.413 1.00 0.00 H new ATOM 0 HD3 LYS A 80 0.783 -0.400 11.199 1.00 0.00 H new ATOM 0 HE2 LYS A 80 1.331 1.354 12.795 1.00 0.00 H new ATOM 0 HE3 LYS A 80 2.095 -0.115 13.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 3.337 2.292 12.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 4.094 0.821 13.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 3.813 1.233 11.538 1.00 0.00 H new ATOM 1302 N ILE A 81 2.853 -3.732 7.208 1.00 0.00 N ATOM 1303 CA ILE A 81 2.279 -4.622 6.156 1.00 0.00 C ATOM 1304 C ILE A 81 3.201 -5.817 5.895 1.00 0.00 C ATOM 1305 O ILE A 81 2.787 -6.814 5.336 1.00 0.00 O ATOM 1306 CB ILE A 81 2.097 -3.831 4.858 1.00 0.00 C ATOM 1307 CG1 ILE A 81 3.405 -3.119 4.500 1.00 0.00 C ATOM 1308 CG2 ILE A 81 0.990 -2.791 5.042 1.00 0.00 C ATOM 1309 CD1 ILE A 81 3.266 -2.464 3.125 1.00 0.00 C ATOM 0 H ILE A 81 3.259 -2.861 6.866 1.00 0.00 H new ATOM 0 HA ILE A 81 1.315 -4.992 6.504 1.00 0.00 H new ATOM 0 HB ILE A 81 1.825 -4.517 4.056 1.00 0.00 H new ATOM 0 HG12 ILE A 81 3.640 -2.366 5.252 1.00 0.00 H new ATOM 0 HG13 ILE A 81 4.230 -3.831 4.494 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.862 -2.229 4.117 1.00 0.00 H new ATOM 0 HG22 ILE A 81 0.056 -3.294 5.293 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.262 -2.108 5.847 1.00 0.00 H new ATOM 0 HD11 ILE A 81 4.196 -1.957 2.868 1.00 0.00 H new ATOM 0 HD12 ILE A 81 3.051 -3.228 2.378 1.00 0.00 H new ATOM 0 HD13 ILE A 81 2.452 -1.740 3.148 1.00 0.00 H new ATOM 1321 N GLY A 82 4.443 -5.731 6.281 1.00 0.00 N ATOM 1322 CA GLY A 82 5.379 -6.869 6.036 1.00 0.00 C ATOM 1323 C GLY A 82 5.886 -6.802 4.595 1.00 0.00 C ATOM 1324 O GLY A 82 5.416 -7.502 3.720 1.00 0.00 O ATOM 0 H GLY A 82 4.852 -4.925 6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.217 -6.822 6.731 1.00 0.00 H new ATOM 0 HA3 GLY A 82 4.871 -7.817 6.212 1.00 0.00 H new ATOM 1328 N LYS A 83 6.841 -5.954 4.352 1.00 0.00 N ATOM 1329 CA LYS A 83 7.405 -5.803 2.977 1.00 0.00 C ATOM 1330 C LYS A 83 7.696 -7.175 2.358 1.00 0.00 C ATOM 1331 O LYS A 83 7.906 -7.294 1.167 1.00 0.00 O ATOM 1332 CB LYS A 83 8.705 -4.998 3.048 1.00 0.00 C ATOM 1333 CG LYS A 83 9.618 -5.593 4.121 1.00 0.00 C ATOM 1334 CD LYS A 83 10.977 -4.893 4.081 1.00 0.00 C ATOM 1335 CE LYS A 83 11.894 -5.493 5.148 1.00 0.00 C ATOM 1336 NZ LYS A 83 11.411 -5.093 6.500 1.00 0.00 N ATOM 0 H LYS A 83 7.264 -5.348 5.055 1.00 0.00 H new ATOM 0 HA LYS A 83 6.675 -5.284 2.356 1.00 0.00 H new ATOM 0 HB2 LYS A 83 9.207 -5.012 2.080 1.00 0.00 H new ATOM 0 HB3 LYS A 83 8.487 -3.955 3.279 1.00 0.00 H new ATOM 0 HG2 LYS A 83 9.165 -5.475 5.105 1.00 0.00 H new ATOM 0 HG3 LYS A 83 9.743 -6.663 3.954 1.00 0.00 H new ATOM 0 HD2 LYS A 83 11.427 -5.006 3.095 1.00 0.00 H new ATOM 0 HD3 LYS A 83 10.852 -3.824 4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 83 11.908 -6.579 5.062 1.00 0.00 H new ATOM 0 HE3 LYS A 83 12.917 -5.148 4.999 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.188 -5.180 7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 11.082 -4.107 6.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 10.626 -5.712 6.785 1.00 0.00 H new ATOM 1350 N SER A 84 7.735 -8.205 3.156 1.00 0.00 N ATOM 1351 CA SER A 84 8.039 -9.562 2.620 1.00 0.00 C ATOM 1352 C SER A 84 7.187 -9.851 1.383 1.00 0.00 C ATOM 1353 O SER A 84 7.666 -10.383 0.402 1.00 0.00 O ATOM 1354 CB SER A 84 7.741 -10.608 3.695 1.00 0.00 C ATOM 1355 OG SER A 84 7.679 -11.894 3.094 1.00 0.00 O ATOM 0 H SER A 84 7.569 -8.166 4.162 1.00 0.00 H new ATOM 0 HA SER A 84 9.092 -9.603 2.340 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.516 -10.589 4.462 1.00 0.00 H new ATOM 0 HB3 SER A 84 6.797 -10.379 4.190 1.00 0.00 H new ATOM 0 HG SER A 84 8.195 -12.531 3.631 1.00 0.00 H new ATOM 1361 N ARG A 85 5.923 -9.518 1.423 1.00 0.00 N ATOM 1362 CA ARG A 85 5.032 -9.790 0.245 1.00 0.00 C ATOM 1363 C ARG A 85 5.013 -8.576 -0.696 1.00 0.00 C ATOM 1364 O ARG A 85 4.215 -8.518 -1.611 1.00 0.00 O ATOM 1365 CB ARG A 85 3.604 -10.094 0.739 1.00 0.00 C ATOM 1366 CG ARG A 85 3.510 -11.549 1.233 1.00 0.00 C ATOM 1367 CD ARG A 85 4.368 -11.736 2.488 1.00 0.00 C ATOM 1368 NE ARG A 85 3.996 -13.018 3.153 1.00 0.00 N ATOM 1369 CZ ARG A 85 4.770 -13.529 4.072 1.00 0.00 C ATOM 1370 NH1 ARG A 85 5.876 -12.922 4.406 1.00 0.00 N ATOM 1371 NH2 ARG A 85 4.440 -14.648 4.657 1.00 0.00 N ATOM 0 H ARG A 85 5.466 -9.070 2.217 1.00 0.00 H new ATOM 0 HA ARG A 85 5.416 -10.651 -0.302 1.00 0.00 H new ATOM 0 HB2 ARG A 85 3.337 -9.411 1.545 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.890 -9.929 -0.068 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.472 -11.800 1.452 1.00 0.00 H new ATOM 0 HG3 ARG A 85 3.844 -12.229 0.450 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.425 -11.744 2.222 1.00 0.00 H new ATOM 0 HD3 ARG A 85 4.218 -10.901 3.173 1.00 0.00 H new ATOM 0 HE ARG A 85 3.135 -13.497 2.889 1.00 0.00 H new ATOM 0 HH11 ARG A 85 6.136 -12.048 3.949 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.480 -13.322 5.124 1.00 0.00 H new ATOM 0 HH21 ARG A 85 3.577 -15.124 4.396 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.046 -15.046 5.375 1.00 0.00 H new ATOM 1385 N ILE A 86 5.892 -7.619 -0.493 1.00 0.00 N ATOM 1386 CA ILE A 86 5.942 -6.407 -1.386 1.00 0.00 C ATOM 1387 C ILE A 86 7.286 -6.388 -2.127 1.00 0.00 C ATOM 1388 O ILE A 86 8.217 -7.073 -1.754 1.00 0.00 O ATOM 1389 CB ILE A 86 5.829 -5.137 -0.527 1.00 0.00 C ATOM 1390 CG1 ILE A 86 4.644 -5.265 0.447 1.00 0.00 C ATOM 1391 CG2 ILE A 86 5.641 -3.903 -1.420 1.00 0.00 C ATOM 1392 CD1 ILE A 86 3.336 -5.540 -0.310 1.00 0.00 C ATOM 0 H ILE A 86 6.583 -7.624 0.258 1.00 0.00 H new ATOM 0 HA ILE A 86 5.120 -6.443 -2.101 1.00 0.00 H new ATOM 0 HB ILE A 86 6.750 -5.019 0.044 1.00 0.00 H new ATOM 0 HG12 ILE A 86 4.836 -6.072 1.154 1.00 0.00 H new ATOM 0 HG13 ILE A 86 4.546 -4.348 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 86 5.563 -3.012 -0.797 1.00 0.00 H new ATOM 0 HG22 ILE A 86 6.496 -3.804 -2.089 1.00 0.00 H new ATOM 0 HG23 ILE A 86 4.731 -4.015 -2.009 1.00 0.00 H new ATOM 0 HD11 ILE A 86 2.515 -5.626 0.402 1.00 0.00 H new ATOM 0 HD12 ILE A 86 3.135 -4.719 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 86 3.429 -6.470 -0.871 1.00 0.00 H new ATOM 1404 N ARG A 87 7.392 -5.600 -3.172 1.00 0.00 N ATOM 1405 CA ARG A 87 8.675 -5.512 -3.949 1.00 0.00 C ATOM 1406 C ARG A 87 8.975 -4.040 -4.246 1.00 0.00 C ATOM 1407 O ARG A 87 8.210 -3.364 -4.904 1.00 0.00 O ATOM 1408 CB ARG A 87 8.528 -6.280 -5.266 1.00 0.00 C ATOM 1409 CG ARG A 87 9.895 -6.409 -5.941 1.00 0.00 C ATOM 1410 CD ARG A 87 9.721 -7.019 -7.334 1.00 0.00 C ATOM 1411 NE ARG A 87 11.061 -7.279 -7.931 1.00 0.00 N ATOM 1412 CZ ARG A 87 11.801 -6.283 -8.335 1.00 0.00 C ATOM 1413 NH1 ARG A 87 11.367 -5.057 -8.217 1.00 0.00 N ATOM 1414 NH2 ARG A 87 12.975 -6.511 -8.858 1.00 0.00 N ATOM 0 H ARG A 87 6.639 -5.009 -3.524 1.00 0.00 H new ATOM 0 HA ARG A 87 9.490 -5.946 -3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 87 8.110 -7.269 -5.077 1.00 0.00 H new ATOM 0 HB3 ARG A 87 7.833 -5.761 -5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 87 10.368 -5.430 -6.018 1.00 0.00 H new ATOM 0 HG3 ARG A 87 10.553 -7.035 -5.338 1.00 0.00 H new ATOM 0 HD2 ARG A 87 9.154 -7.947 -7.268 1.00 0.00 H new ATOM 0 HD3 ARG A 87 9.152 -6.342 -7.971 1.00 0.00 H new ATOM 0 HE ARG A 87 11.400 -8.236 -8.024 1.00 0.00 H new ATOM 0 HH11 ARG A 87 10.449 -4.878 -7.809 1.00 0.00 H new ATOM 0 HH12 ARG A 87 11.946 -4.279 -8.533 1.00 0.00 H new ATOM 0 HH21 ARG A 87 13.315 -7.468 -8.951 1.00 0.00 H new ATOM 0 HH22 ARG A 87 13.553 -5.732 -9.174 1.00 0.00 H new ATOM 1428 N THR A 88 10.082 -3.534 -3.758 1.00 0.00 N ATOM 1429 CA THR A 88 10.437 -2.097 -3.999 1.00 0.00 C ATOM 1430 C THR A 88 11.362 -1.989 -5.214 1.00 0.00 C ATOM 1431 O THR A 88 12.272 -2.777 -5.383 1.00 0.00 O ATOM 1432 CB THR A 88 11.160 -1.541 -2.763 1.00 0.00 C ATOM 1433 OG1 THR A 88 12.540 -1.869 -2.838 1.00 0.00 O ATOM 1434 CG2 THR A 88 10.561 -2.149 -1.492 1.00 0.00 C ATOM 0 H THR A 88 10.759 -4.056 -3.201 1.00 0.00 H new ATOM 0 HA THR A 88 9.527 -1.526 -4.185 1.00 0.00 H new ATOM 0 HB THR A 88 11.040 -0.458 -2.733 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.004 -1.514 -2.051 1.00 0.00 H new ATOM 0 HG21 THR A 88 11.078 -1.750 -0.619 1.00 0.00 H new ATOM 0 HG22 THR A 88 9.502 -1.897 -1.432 1.00 0.00 H new ATOM 0 HG23 THR A 88 10.676 -3.233 -1.518 1.00 0.00 H new ATOM 1442 N VAL A 89 11.130 -1.016 -6.062 1.00 0.00 N ATOM 1443 CA VAL A 89 11.984 -0.836 -7.282 1.00 0.00 C ATOM 1444 C VAL A 89 12.976 0.307 -7.055 1.00 0.00 C ATOM 1445 O VAL A 89 12.631 1.469 -7.139 1.00 0.00 O ATOM 1446 CB VAL A 89 11.087 -0.493 -8.473 1.00 0.00 C ATOM 1447 CG1 VAL A 89 11.937 -0.387 -9.740 1.00 0.00 C ATOM 1448 CG2 VAL A 89 10.040 -1.594 -8.653 1.00 0.00 C ATOM 0 H VAL A 89 10.380 -0.332 -5.961 1.00 0.00 H new ATOM 0 HA VAL A 89 12.533 -1.757 -7.480 1.00 0.00 H new ATOM 0 HB VAL A 89 10.589 0.459 -8.291 1.00 0.00 H new ATOM 0 HG11 VAL A 89 11.297 -0.143 -10.588 1.00 0.00 H new ATOM 0 HG12 VAL A 89 12.685 0.396 -9.612 1.00 0.00 H new ATOM 0 HG13 VAL A 89 12.436 -1.339 -9.924 1.00 0.00 H new ATOM 0 HG21 VAL A 89 9.400 -1.352 -9.501 1.00 0.00 H new ATOM 0 HG22 VAL A 89 10.540 -2.545 -8.836 1.00 0.00 H new ATOM 0 HG23 VAL A 89 9.434 -1.670 -7.751 1.00 0.00 H new ATOM 1509 N GLY A 93 9.744 3.757 -6.909 1.00 0.00 N ATOM 1510 CA GLY A 93 8.273 3.509 -6.832 1.00 0.00 C ATOM 1511 C GLY A 93 8.017 2.231 -6.036 1.00 0.00 C ATOM 1512 O GLY A 93 8.779 1.867 -5.163 1.00 0.00 O ATOM 0 HA2 GLY A 93 7.775 4.353 -6.356 1.00 0.00 H new ATOM 0 HA3 GLY A 93 7.855 3.416 -7.835 1.00 0.00 H new ATOM 1516 N TYR A 94 6.947 1.545 -6.334 1.00 0.00 N ATOM 1517 CA TYR A 94 6.629 0.284 -5.601 1.00 0.00 C ATOM 1518 C TYR A 94 5.836 -0.640 -6.527 1.00 0.00 C ATOM 1519 O TYR A 94 5.217 -0.203 -7.476 1.00 0.00 O ATOM 1520 CB TYR A 94 5.798 0.623 -4.349 1.00 0.00 C ATOM 1521 CG TYR A 94 6.719 1.008 -3.212 1.00 0.00 C ATOM 1522 CD1 TYR A 94 7.175 2.326 -3.094 1.00 0.00 C ATOM 1523 CD2 TYR A 94 7.119 0.043 -2.279 1.00 0.00 C ATOM 1524 CE1 TYR A 94 8.030 2.679 -2.045 1.00 0.00 C ATOM 1525 CE2 TYR A 94 7.972 0.395 -1.229 1.00 0.00 C ATOM 1526 CZ TYR A 94 8.429 1.713 -1.111 1.00 0.00 C ATOM 1527 OH TYR A 94 9.273 2.062 -0.076 1.00 0.00 O ATOM 0 H TYR A 94 6.276 1.804 -7.057 1.00 0.00 H new ATOM 0 HA TYR A 94 7.547 -0.217 -5.293 1.00 0.00 H new ATOM 0 HB2 TYR A 94 5.112 1.442 -4.567 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.189 -0.235 -4.062 1.00 0.00 H new ATOM 0 HD1 TYR A 94 6.867 3.070 -3.813 1.00 0.00 H new ATOM 0 HD2 TYR A 94 6.768 -0.974 -2.371 1.00 0.00 H new ATOM 0 HE1 TYR A 94 8.383 3.696 -1.955 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.278 -0.349 -0.509 1.00 0.00 H new ATOM 0 HH TYR A 94 9.450 1.275 0.481 1.00 0.00 H new ATOM 1537 N MET A 95 5.854 -1.915 -6.258 1.00 0.00 N ATOM 1538 CA MET A 95 5.109 -2.877 -7.126 1.00 0.00 C ATOM 1539 C MET A 95 4.817 -4.157 -6.343 1.00 0.00 C ATOM 1540 O MET A 95 5.697 -4.757 -5.758 1.00 0.00 O ATOM 1541 CB MET A 95 5.962 -3.216 -8.352 1.00 0.00 C ATOM 1542 CG MET A 95 5.232 -4.246 -9.220 1.00 0.00 C ATOM 1543 SD MET A 95 6.059 -4.371 -10.827 1.00 0.00 S ATOM 1544 CE MET A 95 7.364 -5.519 -10.327 1.00 0.00 C ATOM 0 H MET A 95 6.352 -2.336 -5.474 1.00 0.00 H new ATOM 0 HA MET A 95 4.169 -2.426 -7.444 1.00 0.00 H new ATOM 0 HB2 MET A 95 6.160 -2.313 -8.930 1.00 0.00 H new ATOM 0 HB3 MET A 95 6.928 -3.611 -8.037 1.00 0.00 H new ATOM 0 HG2 MET A 95 5.226 -5.217 -8.725 1.00 0.00 H new ATOM 0 HG3 MET A 95 4.191 -3.952 -9.356 1.00 0.00 H new ATOM 0 HE1 MET A 95 8.004 -5.737 -11.182 1.00 0.00 H new ATOM 0 HE2 MET A 95 7.960 -5.069 -9.533 1.00 0.00 H new ATOM 0 HE3 MET A 95 6.916 -6.444 -9.964 1.00 0.00 H new ATOM 1554 N LEU A 96 3.584 -4.585 -6.338 1.00 0.00 N ATOM 1555 CA LEU A 96 3.218 -5.836 -5.605 1.00 0.00 C ATOM 1556 C LEU A 96 3.470 -7.040 -6.521 1.00 0.00 C ATOM 1557 O LEU A 96 3.148 -7.020 -7.692 1.00 0.00 O ATOM 1558 CB LEU A 96 1.728 -5.774 -5.211 1.00 0.00 C ATOM 1559 CG LEU A 96 1.555 -4.987 -3.903 1.00 0.00 C ATOM 1560 CD1 LEU A 96 2.220 -3.611 -4.024 1.00 0.00 C ATOM 1561 CD2 LEU A 96 0.063 -4.804 -3.617 1.00 0.00 C ATOM 0 H LEU A 96 2.809 -4.121 -6.812 1.00 0.00 H new ATOM 0 HA LEU A 96 3.822 -5.935 -4.703 1.00 0.00 H new ATOM 0 HB2 LEU A 96 1.154 -5.300 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.334 -6.783 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 96 2.024 -5.540 -3.089 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.091 -3.061 -3.091 1.00 0.00 H new ATOM 0 HD12 LEU A 96 3.283 -3.737 -4.227 1.00 0.00 H new ATOM 0 HD13 LEU A 96 1.759 -3.054 -4.840 1.00 0.00 H new ATOM 0 HD21 LEU A 96 -0.064 -4.246 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 96 -0.400 -4.255 -4.437 1.00 0.00 H new ATOM 0 HD23 LEU A 96 -0.411 -5.781 -3.521 1.00 0.00 H new ATOM 1573 N ALA A 97 4.049 -8.086 -5.996 1.00 0.00 N ATOM 1574 CA ALA A 97 4.327 -9.286 -6.834 1.00 0.00 C ATOM 1575 C ALA A 97 3.020 -9.811 -7.432 1.00 0.00 C ATOM 1576 O ALA A 97 2.157 -10.300 -6.730 1.00 0.00 O ATOM 1577 CB ALA A 97 4.963 -10.376 -5.969 1.00 0.00 C ATOM 0 H ALA A 97 4.342 -8.161 -5.022 1.00 0.00 H new ATOM 0 HA ALA A 97 5.010 -9.013 -7.639 1.00 0.00 H new ATOM 0 HB1 ALA A 97 5.167 -11.254 -6.582 1.00 0.00 H new ATOM 0 HB2 ALA A 97 5.896 -10.005 -5.545 1.00 0.00 H new ATOM 0 HB3 ALA A 97 4.280 -10.646 -5.164 1.00 0.00 H new ATOM 1583 N ASN A 98 2.868 -9.714 -8.725 1.00 0.00 N ATOM 1584 CA ASN A 98 1.618 -10.210 -9.371 1.00 0.00 C ATOM 1585 C ASN A 98 1.653 -11.738 -9.440 1.00 0.00 C ATOM 1586 O ASN A 98 1.976 -12.314 -10.459 1.00 0.00 O ATOM 1587 CB ASN A 98 1.515 -9.640 -10.786 1.00 0.00 C ATOM 1588 CG ASN A 98 1.350 -8.122 -10.713 1.00 0.00 C ATOM 1589 OD1 ASN A 98 0.883 -7.505 -11.650 1.00 0.00 O ATOM 1590 ND2 ASN A 98 1.711 -7.489 -9.629 1.00 0.00 N ATOM 0 H ASN A 98 3.556 -9.313 -9.363 1.00 0.00 H new ATOM 0 HA ASN A 98 0.755 -9.891 -8.786 1.00 0.00 H new ATOM 0 HB2 ASN A 98 2.408 -9.892 -11.357 1.00 0.00 H new ATOM 0 HB3 ASN A 98 0.667 -10.084 -11.308 1.00 0.00 H new ATOM 0 HD21 ASN A 98 1.601 -6.477 -9.569 1.00 0.00 H new ATOM 0 HD22 ASN A 98 2.103 -8.007 -8.843 1.00 0.00 H new