USER MOD reduce.3.24.130724 H: found=0, std=0, add=744, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 744 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 66 ASN : amide:sc= 0 X(o=-0.021,f=-0.022) USER MOD Set 1.2: A 71 CYS SG : rot -88:sc= -0.0215 USER MOD Set 2.1: A 63 GLN : amide:sc= -4.04! C(o=-3.6!,f=-3.5!) USER MOD Set 2.2: A 70 TYR OH : rot -100:sc= 0.397 USER MOD Set 3.1: A 9 THR OG1 : rot -112:sc= 1.21 USER MOD Set 3.2: A 12 THR OG1 : rot 129:sc= -0.137 USER MOD Set 3.3: A 41 SER OG : rot -90:sc= 0.328 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 129:sc= -4.03! USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot -45:sc= -2.56 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -2.17 K(o=-2.2,f=-5.8!) USER MOD Single : A 21 GLN : amide:sc= -2.28 K(o=-2.3,f=-6.2!) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot -18:sc= 1.07 USER MOD Single : A 31 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0241) USER MOD Single : A 34 GLN : amide:sc= -2.95 K(o=-3,f=-3.6!) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= -0.531 K(o=-0.53,f=0.029) USER MOD Single : A 42 GLN : amide:sc= -2.63 K(o=-2.6,f=-6.3!) USER MOD Single : A 44 ASN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 50 MET CE :methyl -166:sc= -0.193 (180deg=-0.556) USER MOD Single : A 56 ASN : amide:sc= -1.95 K(o=-1.9,f=-0.39) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.19 USER MOD Single : A 69 GLN : amide:sc=-0.00426 X(o=-0.0043,f=-0.17) USER MOD Single : A 74 TYR OH : rot 21:sc= 1.18 USER MOD Single : A 83 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 ASN : amide:sc= -1.12 K(o=-1.1,f=-3.7!) USER MOD Single : A 85 THR OG1 : rot 180:sc= -0.178 USER MOD Single : A 87 GLN : amide:sc= -1.86 K(o=-1.9,f=-1) USER MOD Single : A 91 LYS NZ :NH3+ -164:sc=-0.00748 (180deg=-0.125) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 17.419 6.073 -4.719 1.00 0.00 N ATOM 2 CA MET A 1 17.481 4.662 -4.255 1.00 0.00 C ATOM 3 C MET A 1 16.128 3.975 -4.399 1.00 0.00 C ATOM 4 O MET A 1 15.085 4.629 -4.398 1.00 0.00 O ATOM 5 CB MET A 1 17.927 4.650 -2.792 1.00 0.00 C ATOM 6 CG MET A 1 18.772 3.443 -2.423 1.00 0.00 C ATOM 7 SD MET A 1 18.449 2.854 -0.749 1.00 0.00 S ATOM 8 CE MET A 1 19.822 1.727 -0.516 1.00 0.00 C ATOM 0 H1 MET A 1 18.354 6.516 -4.609 1.00 0.00 H new ATOM 0 H2 MET A 1 17.140 6.097 -5.720 1.00 0.00 H new ATOM 0 H3 MET A 1 16.720 6.594 -4.152 1.00 0.00 H new ATOM 0 HA MET A 1 18.194 4.113 -4.870 1.00 0.00 H new ATOM 0 HB2 MET A 1 18.495 5.557 -2.587 1.00 0.00 H new ATOM 0 HB3 MET A 1 17.045 4.675 -2.152 1.00 0.00 H new ATOM 0 HG2 MET A 1 18.577 2.638 -3.131 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.827 3.701 -2.516 1.00 0.00 H new ATOM 0 HE1 MET A 1 19.762 1.281 0.477 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.780 0.941 -1.270 1.00 0.00 H new ATOM 0 HE3 MET A 1 20.761 2.272 -0.612 1.00 0.00 H new ATOM 20 N SER A 2 16.152 2.652 -4.523 1.00 0.00 N ATOM 21 CA SER A 2 14.926 1.875 -4.668 1.00 0.00 C ATOM 22 C SER A 2 14.350 1.508 -3.304 1.00 0.00 C ATOM 23 O SER A 2 15.028 0.899 -2.477 1.00 0.00 O ATOM 24 CB SER A 2 15.193 0.607 -5.480 1.00 0.00 C ATOM 25 OG SER A 2 14.957 0.825 -6.860 1.00 0.00 O ATOM 0 H SER A 2 17.007 2.095 -4.526 1.00 0.00 H new ATOM 0 HA SER A 2 14.197 2.489 -5.197 1.00 0.00 H new ATOM 0 HB2 SER A 2 16.224 0.286 -5.331 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.553 -0.199 -5.122 1.00 0.00 H new ATOM 0 HG SER A 2 15.137 -0.000 -7.357 1.00 0.00 H new ATOM 31 N GLY A 3 13.096 1.883 -3.078 1.00 0.00 N ATOM 32 CA GLY A 3 12.450 1.585 -1.813 1.00 0.00 C ATOM 33 C GLY A 3 10.983 1.243 -1.979 1.00 0.00 C ATOM 34 O GLY A 3 10.462 1.238 -3.094 1.00 0.00 O ATOM 0 H GLY A 3 12.515 2.388 -3.748 1.00 0.00 H new ATOM 0 HA2 GLY A 3 12.963 0.751 -1.334 1.00 0.00 H new ATOM 0 HA3 GLY A 3 12.547 2.443 -1.148 1.00 0.00 H new ATOM 38 N LEU A 4 10.314 0.957 -0.867 1.00 0.00 N ATOM 39 CA LEU A 4 8.898 0.613 -0.893 1.00 0.00 C ATOM 40 C LEU A 4 8.127 1.414 0.151 1.00 0.00 C ATOM 41 O LEU A 4 8.398 1.315 1.347 1.00 0.00 O ATOM 42 CB LEU A 4 8.711 -0.886 -0.648 1.00 0.00 C ATOM 43 CG LEU A 4 7.639 -1.554 -1.510 1.00 0.00 C ATOM 44 CD1 LEU A 4 7.777 -3.068 -1.458 1.00 0.00 C ATOM 45 CD2 LEU A 4 6.251 -1.128 -1.056 1.00 0.00 C ATOM 0 H LEU A 4 10.731 0.957 0.064 1.00 0.00 H new ATOM 0 HA LEU A 4 8.505 0.862 -1.879 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.662 -1.389 -0.824 1.00 0.00 H new ATOM 0 HB3 LEU A 4 8.459 -1.038 0.401 1.00 0.00 H new ATOM 0 HG LEU A 4 7.778 -1.233 -2.542 1.00 0.00 H new ATOM 0 HD11 LEU A 4 7.005 -3.525 -2.078 1.00 0.00 H new ATOM 0 HD12 LEU A 4 8.760 -3.357 -1.830 1.00 0.00 H new ATOM 0 HD13 LEU A 4 7.665 -3.408 -0.429 1.00 0.00 H new ATOM 0 HD21 LEU A 4 5.500 -1.612 -1.680 1.00 0.00 H new ATOM 0 HD22 LEU A 4 6.103 -1.420 -0.016 1.00 0.00 H new ATOM 0 HD23 LEU A 4 6.155 -0.046 -1.146 1.00 0.00 H new ATOM 57 N ARG A 5 7.166 2.208 -0.310 1.00 0.00 N ATOM 58 CA ARG A 5 6.358 3.028 0.587 1.00 0.00 C ATOM 59 C ARG A 5 4.910 2.550 0.606 1.00 0.00 C ATOM 60 O ARG A 5 4.287 2.383 -0.443 1.00 0.00 O ATOM 61 CB ARG A 5 6.412 4.500 0.167 1.00 0.00 C ATOM 62 CG ARG A 5 7.740 4.917 -0.446 1.00 0.00 C ATOM 63 CD ARG A 5 7.743 6.390 -0.821 1.00 0.00 C ATOM 64 NE ARG A 5 8.068 7.244 0.318 1.00 0.00 N ATOM 65 CZ ARG A 5 8.459 8.512 0.207 1.00 0.00 C ATOM 66 NH1 ARG A 5 8.570 9.076 -0.989 1.00 0.00 N ATOM 67 NH2 ARG A 5 8.737 9.218 1.294 1.00 0.00 N ATOM 0 H ARG A 5 6.928 2.301 -1.297 1.00 0.00 H new ATOM 0 HA ARG A 5 6.771 2.930 1.591 1.00 0.00 H new ATOM 0 HB2 ARG A 5 5.615 4.692 -0.551 1.00 0.00 H new ATOM 0 HB3 ARG A 5 6.213 5.124 1.038 1.00 0.00 H new ATOM 0 HG2 ARG A 5 8.546 4.719 0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 5 7.938 4.314 -1.333 1.00 0.00 H new ATOM 0 HD2 ARG A 5 8.466 6.559 -1.619 1.00 0.00 H new ATOM 0 HD3 ARG A 5 6.764 6.666 -1.214 1.00 0.00 H new ATOM 0 HE ARG A 5 7.991 6.846 1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 5 8.355 8.538 -1.829 1.00 0.00 H new ATOM 0 HH12 ARG A 5 8.870 10.048 -1.069 1.00 0.00 H new ATOM 0 HH21 ARG A 5 8.651 8.790 2.216 1.00 0.00 H new ATOM 0 HH22 ARG A 5 9.037 10.189 1.209 1.00 0.00 H new ATOM 81 N VAL A 6 4.380 2.334 1.805 1.00 0.00 N ATOM 82 CA VAL A 6 3.004 1.879 1.962 1.00 0.00 C ATOM 83 C VAL A 6 2.140 2.968 2.587 1.00 0.00 C ATOM 84 O VAL A 6 2.399 3.414 3.704 1.00 0.00 O ATOM 85 CB VAL A 6 2.926 0.612 2.834 1.00 0.00 C ATOM 86 CG1 VAL A 6 1.513 0.048 2.831 1.00 0.00 C ATOM 87 CG2 VAL A 6 3.924 -0.429 2.352 1.00 0.00 C ATOM 0 H VAL A 6 4.883 2.467 2.682 1.00 0.00 H new ATOM 0 HA VAL A 6 2.630 1.645 0.965 1.00 0.00 H new ATOM 0 HB VAL A 6 3.183 0.881 3.859 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.477 -0.847 3.452 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.823 0.793 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.225 -0.207 1.811 1.00 0.00 H new ATOM 0 HG21 VAL A 6 3.855 -1.317 2.980 1.00 0.00 H new ATOM 0 HG22 VAL A 6 3.701 -0.696 1.319 1.00 0.00 H new ATOM 0 HG23 VAL A 6 4.933 -0.021 2.411 1.00 0.00 H new ATOM 97 N TYR A 7 1.114 3.396 1.859 1.00 0.00 N ATOM 98 CA TYR A 7 0.216 4.437 2.346 1.00 0.00 C ATOM 99 C TYR A 7 -0.805 3.862 3.320 1.00 0.00 C ATOM 100 O TYR A 7 -1.281 2.740 3.146 1.00 0.00 O ATOM 101 CB TYR A 7 -0.504 5.111 1.175 1.00 0.00 C ATOM 102 CG TYR A 7 0.270 6.257 0.561 1.00 0.00 C ATOM 103 CD1 TYR A 7 0.299 7.506 1.170 1.00 0.00 C ATOM 104 CD2 TYR A 7 0.969 6.091 -0.628 1.00 0.00 C ATOM 105 CE1 TYR A 7 1.004 8.556 0.612 1.00 0.00 C ATOM 106 CE2 TYR A 7 1.676 7.137 -1.192 1.00 0.00 C ATOM 107 CZ TYR A 7 1.690 8.366 -0.568 1.00 0.00 C ATOM 108 OH TYR A 7 2.393 9.409 -1.127 1.00 0.00 O ATOM 0 H TYR A 7 0.884 3.039 0.932 1.00 0.00 H new ATOM 0 HA TYR A 7 0.815 5.181 2.871 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -0.703 4.365 0.405 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -1.470 5.480 1.519 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -0.238 7.659 2.094 1.00 0.00 H new ATOM 0 HD2 TYR A 7 0.960 5.129 -1.120 1.00 0.00 H new ATOM 0 HE1 TYR A 7 1.017 9.520 1.098 1.00 0.00 H new ATOM 0 HE2 TYR A 7 2.215 6.992 -2.117 1.00 0.00 H new ATOM 0 HH TYR A 7 2.820 9.108 -1.956 1.00 0.00 H new ATOM 118 N SER A 8 -1.137 4.638 4.345 1.00 0.00 N ATOM 119 CA SER A 8 -2.103 4.206 5.348 1.00 0.00 C ATOM 120 C SER A 8 -2.686 5.402 6.093 1.00 0.00 C ATOM 121 O SER A 8 -2.276 6.542 5.875 1.00 0.00 O ATOM 122 CB SER A 8 -1.445 3.244 6.338 1.00 0.00 C ATOM 123 OG SER A 8 -0.685 3.948 7.306 1.00 0.00 O ATOM 0 H SER A 8 -0.752 5.569 4.503 1.00 0.00 H new ATOM 0 HA SER A 8 -2.915 3.690 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 8 -2.211 2.649 6.835 1.00 0.00 H new ATOM 0 HB3 SER A 8 -0.800 2.549 5.800 1.00 0.00 H new ATOM 0 HG SER A 8 -0.941 3.649 8.204 1.00 0.00 H new ATOM 129 N THR A 9 -3.645 5.134 6.973 1.00 0.00 N ATOM 130 CA THR A 9 -4.285 6.188 7.751 1.00 0.00 C ATOM 131 C THR A 9 -4.260 5.858 9.240 1.00 0.00 C ATOM 132 O THR A 9 -5.016 5.007 9.710 1.00 0.00 O ATOM 133 CB THR A 9 -5.728 6.390 7.285 1.00 0.00 C ATOM 134 OG1 THR A 9 -6.437 7.215 8.192 1.00 0.00 O ATOM 135 CG2 THR A 9 -6.496 5.094 7.145 1.00 0.00 C ATOM 0 H THR A 9 -3.996 4.196 7.165 1.00 0.00 H new ATOM 0 HA THR A 9 -3.727 7.111 7.593 1.00 0.00 H new ATOM 0 HB THR A 9 -5.653 6.858 6.303 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.130 6.687 8.641 1.00 0.00 H new ATOM 0 HG21 THR A 9 -7.512 5.307 6.812 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.001 4.455 6.414 1.00 0.00 H new ATOM 0 HG23 THR A 9 -6.530 4.585 8.108 1.00 0.00 H new ATOM 143 N SER A 10 -3.387 6.537 9.977 1.00 0.00 N ATOM 144 CA SER A 10 -3.264 6.316 11.414 1.00 0.00 C ATOM 145 C SER A 10 -4.591 6.572 12.122 1.00 0.00 C ATOM 146 O SER A 10 -5.012 5.789 12.973 1.00 0.00 O ATOM 147 CB SER A 10 -2.178 7.221 11.999 1.00 0.00 C ATOM 148 OG SER A 10 -1.480 6.569 13.046 1.00 0.00 O ATOM 0 H SER A 10 -2.754 7.245 9.603 1.00 0.00 H new ATOM 0 HA SER A 10 -2.985 5.274 11.572 1.00 0.00 H new ATOM 0 HB2 SER A 10 -1.478 7.508 11.214 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.629 8.139 12.375 1.00 0.00 H new ATOM 0 HG SER A 10 -0.790 7.168 13.402 1.00 0.00 H new ATOM 154 N VAL A 11 -5.244 7.674 11.766 1.00 0.00 N ATOM 155 CA VAL A 11 -6.522 8.032 12.368 1.00 0.00 C ATOM 156 C VAL A 11 -7.648 7.979 11.341 1.00 0.00 C ATOM 157 O VAL A 11 -7.687 8.777 10.405 1.00 0.00 O ATOM 158 CB VAL A 11 -6.475 9.442 12.987 1.00 0.00 C ATOM 159 CG1 VAL A 11 -7.746 9.722 13.775 1.00 0.00 C ATOM 160 CG2 VAL A 11 -5.246 9.596 13.870 1.00 0.00 C ATOM 0 H VAL A 11 -4.909 8.334 11.064 1.00 0.00 H new ATOM 0 HA VAL A 11 -6.716 7.303 13.155 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.408 10.172 12.180 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -7.695 10.722 14.205 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -8.608 9.656 13.111 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -7.847 8.988 14.575 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -5.229 10.598 14.299 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.280 8.859 14.672 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -4.347 9.442 13.273 1.00 0.00 H new ATOM 170 N THR A 12 -8.564 7.033 11.524 1.00 0.00 N ATOM 171 CA THR A 12 -9.693 6.876 10.613 1.00 0.00 C ATOM 172 C THR A 12 -10.988 6.653 11.386 1.00 0.00 C ATOM 173 O THR A 12 -11.000 6.670 12.617 1.00 0.00 O ATOM 174 CB THR A 12 -9.448 5.706 9.660 1.00 0.00 C ATOM 175 OG1 THR A 12 -8.061 5.449 9.526 1.00 0.00 O ATOM 176 CG2 THR A 12 -10.009 5.936 8.273 1.00 0.00 C ATOM 0 H THR A 12 -8.547 6.364 12.294 1.00 0.00 H new ATOM 0 HA THR A 12 -9.790 7.794 10.033 1.00 0.00 H new ATOM 0 HB THR A 12 -9.965 4.857 10.107 1.00 0.00 H new ATOM 0 HG1 THR A 12 -7.888 4.497 9.683 1.00 0.00 H new ATOM 0 HG21 THR A 12 -9.801 5.068 7.648 1.00 0.00 H new ATOM 0 HG22 THR A 12 -11.087 6.087 8.337 1.00 0.00 H new ATOM 0 HG23 THR A 12 -9.544 6.819 7.834 1.00 0.00 H new ATOM 184 N GLY A 13 -12.078 6.442 10.655 1.00 0.00 N ATOM 185 CA GLY A 13 -13.364 6.218 11.288 1.00 0.00 C ATOM 186 C GLY A 13 -14.227 5.237 10.519 1.00 0.00 C ATOM 187 O GLY A 13 -15.454 5.274 10.614 1.00 0.00 O ATOM 0 H GLY A 13 -12.093 6.422 9.635 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -13.207 5.843 12.300 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.891 7.168 11.378 1.00 0.00 H new ATOM 191 N SER A 14 -13.587 4.359 9.754 1.00 0.00 N ATOM 192 CA SER A 14 -14.305 3.364 8.965 1.00 0.00 C ATOM 193 C SER A 14 -14.126 1.969 9.556 1.00 0.00 C ATOM 194 O SER A 14 -13.507 1.805 10.607 1.00 0.00 O ATOM 195 CB SER A 14 -13.821 3.385 7.515 1.00 0.00 C ATOM 196 OG SER A 14 -12.645 2.610 7.358 1.00 0.00 O ATOM 0 H SER A 14 -12.572 4.316 9.663 1.00 0.00 H new ATOM 0 HA SER A 14 -15.366 3.614 8.988 1.00 0.00 H new ATOM 0 HB2 SER A 14 -14.604 3.000 6.862 1.00 0.00 H new ATOM 0 HB3 SER A 14 -13.627 4.413 7.208 1.00 0.00 H new ATOM 0 HG SER A 14 -12.021 2.811 8.086 1.00 0.00 H new ATOM 202 N ARG A 15 -14.674 0.968 8.875 1.00 0.00 N ATOM 203 CA ARG A 15 -14.577 -0.416 9.337 1.00 0.00 C ATOM 204 C ARG A 15 -13.946 -1.321 8.293 1.00 0.00 C ATOM 205 O ARG A 15 -13.557 -2.454 8.578 1.00 0.00 O ATOM 206 CB ARG A 15 -15.958 -0.943 9.706 1.00 0.00 C ATOM 207 CG ARG A 15 -15.929 -2.121 10.665 1.00 0.00 C ATOM 208 CD ARG A 15 -17.211 -2.208 11.477 1.00 0.00 C ATOM 209 NE ARG A 15 -17.272 -3.429 12.277 1.00 0.00 N ATOM 210 CZ ARG A 15 -18.396 -3.920 12.796 1.00 0.00 C ATOM 211 NH1 ARG A 15 -19.552 -3.298 12.600 1.00 0.00 N ATOM 212 NH2 ARG A 15 -18.363 -5.035 13.513 1.00 0.00 N ATOM 0 H ARG A 15 -15.189 1.087 8.003 1.00 0.00 H new ATOM 0 HA ARG A 15 -13.933 -0.421 10.216 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.537 -0.136 10.155 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.478 -1.240 8.796 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.789 -3.045 10.104 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -15.077 -2.024 11.337 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -17.284 -1.341 12.133 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -18.069 -2.172 10.805 1.00 0.00 H new ATOM 0 HE ARG A 15 -16.403 -3.935 12.448 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -19.582 -2.440 12.050 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -20.410 -3.678 13.000 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -17.477 -5.516 13.667 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -19.224 -5.411 13.911 1.00 0.00 H new ATOM 226 N GLU A 16 -13.853 -0.804 7.094 1.00 0.00 N ATOM 227 CA GLU A 16 -13.272 -1.536 5.974 1.00 0.00 C ATOM 228 C GLU A 16 -11.833 -1.096 5.728 1.00 0.00 C ATOM 229 O GLU A 16 -10.980 -1.904 5.360 1.00 0.00 O ATOM 230 CB GLU A 16 -14.107 -1.322 4.710 1.00 0.00 C ATOM 231 CG GLU A 16 -15.177 -2.381 4.501 1.00 0.00 C ATOM 232 CD GLU A 16 -16.458 -1.809 3.926 1.00 0.00 C ATOM 233 OE1 GLU A 16 -16.434 -1.349 2.765 1.00 0.00 O ATOM 234 OE2 GLU A 16 -17.486 -1.822 4.636 1.00 0.00 O ATOM 0 H GLU A 16 -14.175 0.134 6.857 1.00 0.00 H new ATOM 0 HA GLU A 16 -13.272 -2.597 6.225 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -14.582 -0.342 4.760 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -13.445 -1.311 3.845 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -14.795 -3.151 3.831 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -15.395 -2.865 5.453 1.00 0.00 H new ATOM 241 N ILE A 17 -11.572 0.190 5.932 1.00 0.00 N ATOM 242 CA ILE A 17 -10.238 0.742 5.733 1.00 0.00 C ATOM 243 C ILE A 17 -9.255 0.184 6.757 1.00 0.00 C ATOM 244 O ILE A 17 -8.071 0.010 6.466 1.00 0.00 O ATOM 245 CB ILE A 17 -10.249 2.280 5.828 1.00 0.00 C ATOM 246 CG1 ILE A 17 -11.308 2.862 4.889 1.00 0.00 C ATOM 247 CG2 ILE A 17 -8.875 2.847 5.500 1.00 0.00 C ATOM 248 CD1 ILE A 17 -11.394 4.371 4.936 1.00 0.00 C ATOM 0 H ILE A 17 -12.268 0.871 6.236 1.00 0.00 H new ATOM 0 HA ILE A 17 -9.918 0.450 4.733 1.00 0.00 H new ATOM 0 HB ILE A 17 -10.499 2.562 6.851 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -11.087 2.550 3.868 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.280 2.443 5.147 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -8.903 3.934 5.573 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -8.142 2.455 6.205 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -8.595 2.558 4.487 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -12.165 4.713 4.246 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.645 4.690 5.948 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -10.434 4.799 4.649 1.00 0.00 H new ATOM 260 N LYS A 18 -9.753 -0.095 7.957 1.00 0.00 N ATOM 261 CA LYS A 18 -8.918 -0.634 9.025 1.00 0.00 C ATOM 262 C LYS A 18 -8.521 -2.077 8.731 1.00 0.00 C ATOM 263 O LYS A 18 -7.442 -2.525 9.117 1.00 0.00 O ATOM 264 CB LYS A 18 -9.655 -0.557 10.363 1.00 0.00 C ATOM 265 CG LYS A 18 -9.403 0.735 11.122 1.00 0.00 C ATOM 266 CD LYS A 18 -10.636 1.177 11.893 1.00 0.00 C ATOM 267 CE LYS A 18 -10.292 2.221 12.943 1.00 0.00 C ATOM 268 NZ LYS A 18 -11.460 2.548 13.806 1.00 0.00 N ATOM 0 H LYS A 18 -10.730 0.043 8.215 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.011 -0.033 9.082 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -10.725 -0.662 10.185 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -9.351 -1.399 10.985 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -8.571 0.596 11.812 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.110 1.518 10.423 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -11.373 1.585 11.201 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -11.095 0.313 12.374 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -9.474 1.856 13.563 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.939 3.128 12.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -11.183 3.263 14.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -12.233 2.921 13.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -11.781 1.689 14.296 1.00 0.00 H new ATOM 282 N SER A 19 -9.401 -2.800 8.046 1.00 0.00 N ATOM 283 CA SER A 19 -9.143 -4.193 7.701 1.00 0.00 C ATOM 284 C SER A 19 -8.285 -4.294 6.444 1.00 0.00 C ATOM 285 O SER A 19 -7.512 -5.238 6.283 1.00 0.00 O ATOM 286 CB SER A 19 -10.461 -4.942 7.496 1.00 0.00 C ATOM 287 OG SER A 19 -11.206 -5.003 8.699 1.00 0.00 O ATOM 0 H SER A 19 -10.299 -2.444 7.719 1.00 0.00 H new ATOM 0 HA SER A 19 -8.598 -4.650 8.527 1.00 0.00 H new ATOM 0 HB2 SER A 19 -11.049 -4.444 6.725 1.00 0.00 H new ATOM 0 HB3 SER A 19 -10.257 -5.952 7.139 1.00 0.00 H new ATOM 0 HG SER A 19 -12.044 -5.485 8.541 1.00 0.00 H new ATOM 293 N GLN A 20 -8.428 -3.316 5.555 1.00 0.00 N ATOM 294 CA GLN A 20 -7.666 -3.297 4.311 1.00 0.00 C ATOM 295 C GLN A 20 -6.202 -2.960 4.575 1.00 0.00 C ATOM 296 O GLN A 20 -5.303 -3.711 4.195 1.00 0.00 O ATOM 297 CB GLN A 20 -8.268 -2.285 3.335 1.00 0.00 C ATOM 298 CG GLN A 20 -9.276 -2.892 2.373 1.00 0.00 C ATOM 299 CD GLN A 20 -10.541 -3.355 3.070 1.00 0.00 C ATOM 300 OE1 GLN A 20 -10.491 -4.142 4.015 1.00 0.00 O ATOM 301 NE2 GLN A 20 -11.685 -2.867 2.604 1.00 0.00 N ATOM 0 H GLN A 20 -9.064 -2.527 5.673 1.00 0.00 H new ATOM 0 HA GLN A 20 -7.716 -4.292 3.868 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -8.753 -1.490 3.902 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -7.464 -1.823 2.762 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -9.534 -2.157 1.611 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -8.819 -3.737 1.859 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.680 -2.217 1.818 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.569 -3.142 3.032 1.00 0.00 H new ATOM 310 N GLN A 21 -5.969 -1.826 5.228 1.00 0.00 N ATOM 311 CA GLN A 21 -4.613 -1.389 5.541 1.00 0.00 C ATOM 312 C GLN A 21 -3.911 -2.396 6.447 1.00 0.00 C ATOM 313 O GLN A 21 -2.752 -2.744 6.224 1.00 0.00 O ATOM 314 CB GLN A 21 -4.641 -0.014 6.212 1.00 0.00 C ATOM 315 CG GLN A 21 -5.332 -0.011 7.566 1.00 0.00 C ATOM 316 CD GLN A 21 -5.774 1.375 7.991 1.00 0.00 C ATOM 317 OE1 GLN A 21 -6.951 1.721 7.893 1.00 0.00 O ATOM 318 NE2 GLN A 21 -4.829 2.178 8.467 1.00 0.00 N ATOM 0 H GLN A 21 -6.701 -1.193 5.551 1.00 0.00 H new ATOM 0 HA GLN A 21 -4.056 -1.319 4.607 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.618 0.342 6.335 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.147 0.692 5.554 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -6.200 -0.670 7.529 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.655 -0.419 8.316 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.865 1.850 8.531 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -5.067 3.123 8.769 1.00 0.00 H new ATOM 327 N SER A 22 -4.621 -2.858 7.471 1.00 0.00 N ATOM 328 CA SER A 22 -4.066 -3.824 8.413 1.00 0.00 C ATOM 329 C SER A 22 -3.656 -5.108 7.699 1.00 0.00 C ATOM 330 O SER A 22 -2.643 -5.721 8.037 1.00 0.00 O ATOM 331 CB SER A 22 -5.083 -4.140 9.511 1.00 0.00 C ATOM 332 OG SER A 22 -4.507 -4.944 10.525 1.00 0.00 O ATOM 0 H SER A 22 -5.582 -2.579 7.670 1.00 0.00 H new ATOM 0 HA SER A 22 -3.178 -3.382 8.866 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.454 -3.212 9.946 1.00 0.00 H new ATOM 0 HB3 SER A 22 -5.941 -4.654 9.079 1.00 0.00 H new ATOM 0 HG SER A 22 -5.177 -5.130 11.215 1.00 0.00 H new ATOM 338 N GLU A 23 -4.450 -5.511 6.712 1.00 0.00 N ATOM 339 CA GLU A 23 -4.169 -6.724 5.953 1.00 0.00 C ATOM 340 C GLU A 23 -2.861 -6.594 5.179 1.00 0.00 C ATOM 341 O GLU A 23 -2.010 -7.483 5.226 1.00 0.00 O ATOM 342 CB GLU A 23 -5.317 -7.023 4.987 1.00 0.00 C ATOM 343 CG GLU A 23 -5.149 -8.329 4.229 1.00 0.00 C ATOM 344 CD GLU A 23 -6.442 -9.115 4.127 1.00 0.00 C ATOM 345 OE1 GLU A 23 -7.426 -8.571 3.581 1.00 0.00 O ATOM 346 OE2 GLU A 23 -6.471 -10.274 4.591 1.00 0.00 O ATOM 0 H GLU A 23 -5.292 -5.016 6.419 1.00 0.00 H new ATOM 0 HA GLU A 23 -4.071 -7.548 6.659 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -6.252 -7.055 5.546 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -5.401 -6.205 4.271 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -4.777 -8.118 3.227 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -4.395 -8.939 4.727 1.00 0.00 H new ATOM 353 N VAL A 24 -2.708 -5.483 4.465 1.00 0.00 N ATOM 354 CA VAL A 24 -1.505 -5.239 3.679 1.00 0.00 C ATOM 355 C VAL A 24 -0.259 -5.247 4.560 1.00 0.00 C ATOM 356 O VAL A 24 0.801 -5.718 4.149 1.00 0.00 O ATOM 357 CB VAL A 24 -1.584 -3.894 2.934 1.00 0.00 C ATOM 358 CG1 VAL A 24 -0.415 -3.746 1.972 1.00 0.00 C ATOM 359 CG2 VAL A 24 -2.909 -3.769 2.197 1.00 0.00 C ATOM 0 H VAL A 24 -3.403 -4.738 4.415 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.436 -6.047 2.950 1.00 0.00 H new ATOM 0 HB VAL A 24 -1.525 -3.090 3.667 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.488 -2.789 1.455 1.00 0.00 H new ATOM 0 HG12 VAL A 24 0.521 -3.787 2.528 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.439 -4.556 1.243 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -2.947 -2.812 1.676 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -3.001 -4.579 1.474 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -3.730 -3.826 2.912 1.00 0.00 H new ATOM 369 N THR A 25 -0.394 -4.721 5.773 1.00 0.00 N ATOM 370 CA THR A 25 0.722 -4.667 6.711 1.00 0.00 C ATOM 371 C THR A 25 0.957 -6.029 7.357 1.00 0.00 C ATOM 372 O THR A 25 2.089 -6.380 7.692 1.00 0.00 O ATOM 373 CB THR A 25 0.458 -3.616 7.790 1.00 0.00 C ATOM 374 OG1 THR A 25 -0.691 -3.951 8.547 1.00 0.00 O ATOM 375 CG2 THR A 25 0.251 -2.224 7.232 1.00 0.00 C ATOM 0 H THR A 25 -1.264 -4.326 6.130 1.00 0.00 H new ATOM 0 HA THR A 25 1.618 -4.390 6.155 1.00 0.00 H new ATOM 0 HB THR A 25 1.353 -3.611 8.413 1.00 0.00 H new ATOM 0 HG1 THR A 25 -1.229 -4.605 8.053 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.069 -1.527 8.050 1.00 0.00 H new ATOM 0 HG22 THR A 25 1.142 -1.915 6.684 1.00 0.00 H new ATOM 0 HG23 THR A 25 -0.606 -2.226 6.559 1.00 0.00 H new ATOM 383 N ARG A 26 -0.117 -6.791 7.530 1.00 0.00 N ATOM 384 CA ARG A 26 -0.026 -8.114 8.137 1.00 0.00 C ATOM 385 C ARG A 26 0.790 -9.060 7.263 1.00 0.00 C ATOM 386 O ARG A 26 1.604 -9.838 7.762 1.00 0.00 O ATOM 387 CB ARG A 26 -1.425 -8.690 8.367 1.00 0.00 C ATOM 388 CG ARG A 26 -1.595 -9.350 9.726 1.00 0.00 C ATOM 389 CD ARG A 26 -2.439 -10.611 9.633 1.00 0.00 C ATOM 390 NE ARG A 26 -2.013 -11.626 10.594 1.00 0.00 N ATOM 391 CZ ARG A 26 -2.356 -12.909 10.517 1.00 0.00 C ATOM 392 NH1 ARG A 26 -3.128 -13.339 9.526 1.00 0.00 N ATOM 393 NH2 ARG A 26 -1.926 -13.767 11.432 1.00 0.00 N ATOM 0 H ARG A 26 -1.061 -6.516 7.259 1.00 0.00 H new ATOM 0 HA ARG A 26 0.479 -8.011 9.097 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.159 -7.891 8.266 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -1.641 -9.421 7.588 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.616 -9.596 10.137 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.063 -8.648 10.416 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -3.485 -10.361 9.809 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -2.374 -11.017 8.624 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.418 -11.334 11.369 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -3.461 -12.684 8.818 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -3.388 -14.324 9.472 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -1.332 -13.443 12.195 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -2.189 -14.751 11.372 1.00 0.00 H new ATOM 407 N ILE A 27 0.567 -8.989 5.954 1.00 0.00 N ATOM 408 CA ILE A 27 1.282 -9.839 5.010 1.00 0.00 C ATOM 409 C ILE A 27 2.718 -9.364 4.820 1.00 0.00 C ATOM 410 O ILE A 27 3.650 -10.167 4.797 1.00 0.00 O ATOM 411 CB ILE A 27 0.577 -9.871 3.640 1.00 0.00 C ATOM 412 CG1 ILE A 27 -0.912 -10.175 3.814 1.00 0.00 C ATOM 413 CG2 ILE A 27 1.231 -10.901 2.730 1.00 0.00 C ATOM 414 CD1 ILE A 27 -1.721 -9.981 2.550 1.00 0.00 C ATOM 0 H ILE A 27 -0.103 -8.352 5.524 1.00 0.00 H new ATOM 0 HA ILE A 27 1.289 -10.844 5.431 1.00 0.00 H new ATOM 0 HB ILE A 27 0.676 -8.890 3.175 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -1.027 -11.204 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.316 -9.533 4.597 1.00 0.00 H new ATOM 0 HG21 ILE A 27 0.721 -10.911 1.767 1.00 0.00 H new ATOM 0 HG22 ILE A 27 2.280 -10.643 2.583 1.00 0.00 H new ATOM 0 HG23 ILE A 27 1.161 -11.888 3.188 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -2.767 -10.215 2.748 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -1.637 -8.946 2.219 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -1.343 -10.643 1.771 1.00 0.00 H new ATOM 426 N LEU A 28 2.889 -8.053 4.684 1.00 0.00 N ATOM 427 CA LEU A 28 4.212 -7.470 4.496 1.00 0.00 C ATOM 428 C LEU A 28 5.090 -7.705 5.722 1.00 0.00 C ATOM 429 O LEU A 28 6.269 -8.040 5.600 1.00 0.00 O ATOM 430 CB LEU A 28 4.096 -5.971 4.219 1.00 0.00 C ATOM 431 CG LEU A 28 3.500 -5.608 2.857 1.00 0.00 C ATOM 432 CD1 LEU A 28 2.910 -4.206 2.890 1.00 0.00 C ATOM 433 CD2 LEU A 28 4.557 -5.718 1.769 1.00 0.00 C ATOM 0 H LEU A 28 2.128 -7.374 4.701 1.00 0.00 H new ATOM 0 HA LEU A 28 4.678 -7.957 3.639 1.00 0.00 H new ATOM 0 HB2 LEU A 28 3.483 -5.519 4.999 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.088 -5.525 4.295 1.00 0.00 H new ATOM 0 HG LEU A 28 2.699 -6.312 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.491 -3.965 1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.124 -4.160 3.644 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.692 -3.488 3.137 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.117 -5.457 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.379 -5.036 1.990 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.934 -6.740 1.730 1.00 0.00 H new ATOM 445 N ASP A 29 4.506 -7.527 6.902 1.00 0.00 N ATOM 446 CA ASP A 29 5.232 -7.720 8.152 1.00 0.00 C ATOM 447 C ASP A 29 5.646 -9.178 8.317 1.00 0.00 C ATOM 448 O ASP A 29 6.798 -9.475 8.634 1.00 0.00 O ATOM 449 CB ASP A 29 4.372 -7.283 9.339 1.00 0.00 C ATOM 450 CG ASP A 29 5.196 -7.029 10.586 1.00 0.00 C ATOM 451 OD1 ASP A 29 6.245 -6.360 10.479 1.00 0.00 O ATOM 452 OD2 ASP A 29 4.791 -7.498 11.671 1.00 0.00 O ATOM 0 H ASP A 29 3.532 -7.249 7.019 1.00 0.00 H new ATOM 0 HA ASP A 29 6.132 -7.106 8.121 1.00 0.00 H new ATOM 0 HB2 ASP A 29 3.827 -6.376 9.076 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.628 -8.052 9.548 1.00 0.00 H new ATOM 457 N GLY A 30 4.699 -10.086 8.096 1.00 0.00 N ATOM 458 CA GLY A 30 4.987 -11.502 8.222 1.00 0.00 C ATOM 459 C GLY A 30 6.113 -11.945 7.309 1.00 0.00 C ATOM 460 O GLY A 30 6.873 -12.853 7.643 1.00 0.00 O ATOM 0 H GLY A 30 3.739 -9.865 7.832 1.00 0.00 H new ATOM 0 HA2 GLY A 30 5.251 -11.726 9.256 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.089 -12.075 7.991 1.00 0.00 H new ATOM 464 N LYS A 31 6.221 -11.296 6.154 1.00 0.00 N ATOM 465 CA LYS A 31 7.263 -11.621 5.188 1.00 0.00 C ATOM 466 C LYS A 31 8.615 -11.056 5.623 1.00 0.00 C ATOM 467 O LYS A 31 9.648 -11.378 5.035 1.00 0.00 O ATOM 468 CB LYS A 31 6.893 -11.079 3.806 1.00 0.00 C ATOM 469 CG LYS A 31 6.044 -12.036 2.985 1.00 0.00 C ATOM 470 CD LYS A 31 4.993 -11.294 2.175 1.00 0.00 C ATOM 471 CE LYS A 31 4.673 -12.021 0.878 1.00 0.00 C ATOM 472 NZ LYS A 31 4.141 -13.390 1.126 1.00 0.00 N ATOM 0 H LYS A 31 5.599 -10.541 5.865 1.00 0.00 H new ATOM 0 HA LYS A 31 7.346 -12.707 5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 31 6.354 -10.139 3.926 1.00 0.00 H new ATOM 0 HB3 LYS A 31 7.807 -10.854 3.256 1.00 0.00 H new ATOM 0 HG2 LYS A 31 6.685 -12.608 2.314 1.00 0.00 H new ATOM 0 HG3 LYS A 31 5.556 -12.751 3.647 1.00 0.00 H new ATOM 0 HD2 LYS A 31 4.084 -11.187 2.767 1.00 0.00 H new ATOM 0 HD3 LYS A 31 5.348 -10.288 1.951 1.00 0.00 H new ATOM 0 HE2 LYS A 31 3.943 -11.445 0.310 1.00 0.00 H new ATOM 0 HE3 LYS A 31 5.573 -12.086 0.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 3.809 -13.801 0.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 4.893 -13.988 1.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 3.349 -13.338 1.798 1.00 0.00 H new ATOM 486 N ARG A 32 8.604 -10.213 6.654 1.00 0.00 N ATOM 487 CA ARG A 32 9.830 -9.608 7.162 1.00 0.00 C ATOM 488 C ARG A 32 10.430 -8.653 6.136 1.00 0.00 C ATOM 489 O ARG A 32 11.641 -8.646 5.910 1.00 0.00 O ATOM 490 CB ARG A 32 10.850 -10.690 7.528 1.00 0.00 C ATOM 491 CG ARG A 32 10.250 -11.855 8.299 1.00 0.00 C ATOM 492 CD ARG A 32 11.172 -12.319 9.415 1.00 0.00 C ATOM 493 NE ARG A 32 12.188 -13.251 8.934 1.00 0.00 N ATOM 494 CZ ARG A 32 11.924 -14.491 8.527 1.00 0.00 C ATOM 495 NH1 ARG A 32 10.679 -14.951 8.541 1.00 0.00 N ATOM 496 NH2 ARG A 32 12.908 -15.273 8.104 1.00 0.00 N ATOM 0 H ARG A 32 7.759 -9.935 7.153 1.00 0.00 H new ATOM 0 HA ARG A 32 9.579 -9.041 8.058 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.310 -11.068 6.615 1.00 0.00 H new ATOM 0 HB3 ARG A 32 11.645 -10.242 8.124 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.289 -11.558 8.719 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.057 -12.683 7.617 1.00 0.00 H new ATOM 0 HD2 ARG A 32 11.658 -11.454 9.867 1.00 0.00 H new ATOM 0 HD3 ARG A 32 10.582 -12.798 10.197 1.00 0.00 H new ATOM 0 HE ARG A 32 13.157 -12.933 8.908 1.00 0.00 H new ATOM 0 HH11 ARG A 32 9.918 -14.354 8.865 1.00 0.00 H new ATOM 0 HH12 ARG A 32 10.483 -15.902 8.228 1.00 0.00 H new ATOM 0 HH21 ARG A 32 13.867 -14.924 8.091 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.706 -16.223 7.792 1.00 0.00 H new ATOM 510 N ILE A 33 9.575 -7.844 5.518 1.00 0.00 N ATOM 511 CA ILE A 33 10.019 -6.884 4.521 1.00 0.00 C ATOM 512 C ILE A 33 10.347 -5.542 5.164 1.00 0.00 C ATOM 513 O ILE A 33 9.882 -5.235 6.261 1.00 0.00 O ATOM 514 CB ILE A 33 8.953 -6.673 3.428 1.00 0.00 C ATOM 515 CG1 ILE A 33 8.503 -8.019 2.858 1.00 0.00 C ATOM 516 CG2 ILE A 33 9.493 -5.776 2.323 1.00 0.00 C ATOM 517 CD1 ILE A 33 7.488 -7.895 1.742 1.00 0.00 C ATOM 0 H ILE A 33 8.570 -7.836 5.692 1.00 0.00 H new ATOM 0 HA ILE A 33 10.918 -7.295 4.062 1.00 0.00 H new ATOM 0 HB ILE A 33 8.089 -6.182 3.875 1.00 0.00 H new ATOM 0 HG12 ILE A 33 9.375 -8.557 2.487 1.00 0.00 H new ATOM 0 HG13 ILE A 33 8.076 -8.620 3.661 1.00 0.00 H new ATOM 0 HG21 ILE A 33 8.727 -5.638 1.560 1.00 0.00 H new ATOM 0 HG22 ILE A 33 9.767 -4.808 2.742 1.00 0.00 H new ATOM 0 HG23 ILE A 33 10.372 -6.239 1.875 1.00 0.00 H new ATOM 0 HD11 ILE A 33 7.215 -8.889 1.387 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.599 -7.385 2.114 1.00 0.00 H new ATOM 0 HD13 ILE A 33 7.918 -7.322 0.921 1.00 0.00 H new ATOM 529 N GLN A 34 11.149 -4.750 4.469 1.00 0.00 N ATOM 530 CA GLN A 34 11.546 -3.435 4.962 1.00 0.00 C ATOM 531 C GLN A 34 10.746 -2.336 4.270 1.00 0.00 C ATOM 532 O GLN A 34 11.307 -1.349 3.793 1.00 0.00 O ATOM 533 CB GLN A 34 13.045 -3.211 4.747 1.00 0.00 C ATOM 534 CG GLN A 34 13.550 -3.685 3.393 1.00 0.00 C ATOM 535 CD GLN A 34 12.839 -3.012 2.235 1.00 0.00 C ATOM 536 OE1 GLN A 34 12.980 -1.808 2.020 1.00 0.00 O ATOM 537 NE2 GLN A 34 12.070 -3.789 1.480 1.00 0.00 N ATOM 0 H GLN A 34 11.540 -4.994 3.559 1.00 0.00 H new ATOM 0 HA GLN A 34 11.336 -3.396 6.031 1.00 0.00 H new ATOM 0 HB2 GLN A 34 13.263 -2.148 4.853 1.00 0.00 H new ATOM 0 HB3 GLN A 34 13.596 -3.729 5.531 1.00 0.00 H new ATOM 0 HG2 GLN A 34 14.620 -3.490 3.320 1.00 0.00 H new ATOM 0 HG3 GLN A 34 13.417 -4.764 3.318 1.00 0.00 H new ATOM 0 HE21 GLN A 34 11.982 -4.782 1.695 1.00 0.00 H new ATOM 0 HE22 GLN A 34 11.568 -3.392 0.686 1.00 0.00 H new ATOM 546 N TYR A 35 9.432 -2.519 4.216 1.00 0.00 N ATOM 547 CA TYR A 35 8.548 -1.549 3.580 1.00 0.00 C ATOM 548 C TYR A 35 8.323 -0.337 4.479 1.00 0.00 C ATOM 549 O TYR A 35 8.417 -0.431 5.703 1.00 0.00 O ATOM 550 CB TYR A 35 7.206 -2.202 3.239 1.00 0.00 C ATOM 551 CG TYR A 35 6.407 -2.621 4.453 1.00 0.00 C ATOM 552 CD1 TYR A 35 6.664 -3.824 5.098 1.00 0.00 C ATOM 553 CD2 TYR A 35 5.395 -1.812 4.955 1.00 0.00 C ATOM 554 CE1 TYR A 35 5.935 -4.210 6.208 1.00 0.00 C ATOM 555 CE2 TYR A 35 4.663 -2.190 6.065 1.00 0.00 C ATOM 556 CZ TYR A 35 4.937 -3.389 6.687 1.00 0.00 C ATOM 557 OH TYR A 35 4.210 -3.769 7.792 1.00 0.00 O ATOM 0 H TYR A 35 8.954 -3.332 4.606 1.00 0.00 H new ATOM 0 HA TYR A 35 9.026 -1.209 2.662 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.613 -1.505 2.648 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.386 -3.077 2.614 1.00 0.00 H new ATOM 0 HD1 TYR A 35 7.446 -4.469 4.726 1.00 0.00 H new ATOM 0 HD2 TYR A 35 5.177 -0.872 4.470 1.00 0.00 H new ATOM 0 HE1 TYR A 35 6.147 -5.150 6.697 1.00 0.00 H new ATOM 0 HE2 TYR A 35 3.880 -1.549 6.443 1.00 0.00 H new ATOM 0 HH TYR A 35 3.546 -3.079 8.000 1.00 0.00 H new ATOM 567 N GLN A 36 8.020 0.799 3.859 1.00 0.00 N ATOM 568 CA GLN A 36 7.773 2.033 4.595 1.00 0.00 C ATOM 569 C GLN A 36 6.287 2.180 4.908 1.00 0.00 C ATOM 570 O GLN A 36 5.481 1.324 4.545 1.00 0.00 O ATOM 571 CB GLN A 36 8.261 3.239 3.788 1.00 0.00 C ATOM 572 CG GLN A 36 9.194 4.154 4.564 1.00 0.00 C ATOM 573 CD GLN A 36 8.752 5.605 4.528 1.00 0.00 C ATOM 574 OE1 GLN A 36 8.433 6.194 5.561 1.00 0.00 O ATOM 575 NE2 GLN A 36 8.733 6.188 3.336 1.00 0.00 N ATOM 0 H GLN A 36 7.940 0.890 2.846 1.00 0.00 H new ATOM 0 HA GLN A 36 8.325 1.990 5.534 1.00 0.00 H new ATOM 0 HB2 GLN A 36 8.774 2.884 2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.398 3.814 3.452 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.246 3.820 5.600 1.00 0.00 H new ATOM 0 HG3 GLN A 36 10.200 4.074 4.152 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.006 5.661 2.506 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.446 7.163 3.250 1.00 0.00 H new ATOM 584 N LEU A 37 5.927 3.270 5.575 1.00 0.00 N ATOM 585 CA LEU A 37 4.544 3.524 5.923 1.00 0.00 C ATOM 586 C LEU A 37 4.229 4.992 5.737 1.00 0.00 C ATOM 587 O LEU A 37 4.208 5.766 6.694 1.00 0.00 O ATOM 588 CB LEU A 37 4.271 3.105 7.361 1.00 0.00 C ATOM 589 CG LEU A 37 2.801 2.857 7.699 1.00 0.00 C ATOM 590 CD1 LEU A 37 2.677 2.060 8.988 1.00 0.00 C ATOM 591 CD2 LEU A 37 2.051 4.176 7.811 1.00 0.00 C ATOM 0 H LEU A 37 6.579 3.991 5.884 1.00 0.00 H new ATOM 0 HA LEU A 37 3.903 2.936 5.266 1.00 0.00 H new ATOM 0 HB2 LEU A 37 4.834 2.195 7.571 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.655 3.878 8.027 1.00 0.00 H new ATOM 0 HG LEU A 37 2.355 2.275 6.892 1.00 0.00 H new ATOM 0 HD11 LEU A 37 1.624 1.893 9.213 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.180 1.100 8.872 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.139 2.615 9.805 1.00 0.00 H new ATOM 0 HD21 LEU A 37 1.006 3.981 8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.498 4.783 8.598 1.00 0.00 H new ATOM 0 HD23 LEU A 37 2.111 4.710 6.863 1.00 0.00 H new ATOM 603 N VAL A 38 3.988 5.369 4.495 1.00 0.00 N ATOM 604 CA VAL A 38 3.678 6.751 4.178 1.00 0.00 C ATOM 605 C VAL A 38 2.227 7.046 4.509 1.00 0.00 C ATOM 606 O VAL A 38 1.362 7.072 3.636 1.00 0.00 O ATOM 607 CB VAL A 38 3.943 7.074 2.694 1.00 0.00 C ATOM 608 CG1 VAL A 38 5.434 7.248 2.444 1.00 0.00 C ATOM 609 CG2 VAL A 38 3.368 5.989 1.795 1.00 0.00 C ATOM 0 H VAL A 38 4.001 4.740 3.692 1.00 0.00 H new ATOM 0 HA VAL A 38 4.333 7.380 4.781 1.00 0.00 H new ATOM 0 HB VAL A 38 3.444 8.012 2.453 1.00 0.00 H new ATOM 0 HG11 VAL A 38 5.602 7.475 1.391 1.00 0.00 H new ATOM 0 HG12 VAL A 38 5.813 8.066 3.057 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.956 6.327 2.704 1.00 0.00 H new ATOM 0 HG21 VAL A 38 3.566 6.237 0.752 1.00 0.00 H new ATOM 0 HG22 VAL A 38 3.833 5.033 2.035 1.00 0.00 H new ATOM 0 HG23 VAL A 38 2.292 5.918 1.953 1.00 0.00 H new ATOM 619 N ASP A 39 1.976 7.262 5.791 1.00 0.00 N ATOM 620 CA ASP A 39 0.629 7.549 6.270 1.00 0.00 C ATOM 621 C ASP A 39 0.257 9.004 6.008 1.00 0.00 C ATOM 622 O ASP A 39 0.936 9.924 6.465 1.00 0.00 O ATOM 623 CB ASP A 39 0.519 7.245 7.766 1.00 0.00 C ATOM 624 CG ASP A 39 1.650 7.859 8.570 1.00 0.00 C ATOM 625 OD1 ASP A 39 2.428 8.648 7.994 1.00 0.00 O ATOM 626 OD2 ASP A 39 1.757 7.549 9.775 1.00 0.00 O ATOM 0 H ASP A 39 2.688 7.244 6.521 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.066 6.910 5.725 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.433 7.620 8.140 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.517 6.165 7.915 1.00 0.00 H new ATOM 631 N ILE A 40 -0.824 9.200 5.262 1.00 0.00 N ATOM 632 CA ILE A 40 -1.294 10.537 4.923 1.00 0.00 C ATOM 633 C ILE A 40 -2.101 11.154 6.062 1.00 0.00 C ATOM 634 O ILE A 40 -2.263 12.373 6.128 1.00 0.00 O ATOM 635 CB ILE A 40 -2.158 10.516 3.647 1.00 0.00 C ATOM 636 CG1 ILE A 40 -3.368 9.600 3.839 1.00 0.00 C ATOM 637 CG2 ILE A 40 -1.329 10.062 2.453 1.00 0.00 C ATOM 638 CD1 ILE A 40 -4.404 9.730 2.743 1.00 0.00 C ATOM 0 H ILE A 40 -1.394 8.446 4.879 1.00 0.00 H new ATOM 0 HA ILE A 40 -0.407 11.146 4.748 1.00 0.00 H new ATOM 0 HB ILE A 40 -2.517 11.527 3.453 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -3.027 8.566 3.885 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -3.835 9.824 4.798 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -1.953 10.052 1.559 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -0.496 10.749 2.306 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -0.944 9.059 2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.233 9.052 2.944 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -4.773 10.755 2.711 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -3.953 9.477 1.784 1.00 0.00 H new ATOM 650 N SER A 41 -2.601 10.311 6.961 1.00 0.00 N ATOM 651 CA SER A 41 -3.384 10.786 8.096 1.00 0.00 C ATOM 652 C SER A 41 -2.544 11.707 8.973 1.00 0.00 C ATOM 653 O SER A 41 -3.066 12.614 9.621 1.00 0.00 O ATOM 654 CB SER A 41 -3.899 9.605 8.920 1.00 0.00 C ATOM 655 OG SER A 41 -4.873 10.024 9.859 1.00 0.00 O ATOM 0 H SER A 41 -2.478 9.299 6.925 1.00 0.00 H new ATOM 0 HA SER A 41 -4.237 11.347 7.714 1.00 0.00 H new ATOM 0 HB2 SER A 41 -4.328 8.854 8.256 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.067 9.131 9.441 1.00 0.00 H new ATOM 0 HG SER A 41 -4.433 10.265 10.701 1.00 0.00 H new ATOM 661 N GLN A 42 -1.238 11.465 8.983 1.00 0.00 N ATOM 662 CA GLN A 42 -0.313 12.267 9.772 1.00 0.00 C ATOM 663 C GLN A 42 -0.379 13.733 9.357 1.00 0.00 C ATOM 664 O GLN A 42 -0.712 14.604 10.161 1.00 0.00 O ATOM 665 CB GLN A 42 1.111 11.740 9.599 1.00 0.00 C ATOM 666 CG GLN A 42 2.096 12.296 10.614 1.00 0.00 C ATOM 667 CD GLN A 42 2.521 13.716 10.297 1.00 0.00 C ATOM 668 OE1 GLN A 42 2.518 14.134 9.139 1.00 0.00 O ATOM 669 NE2 GLN A 42 2.890 14.467 11.328 1.00 0.00 N ATOM 0 H GLN A 42 -0.795 10.716 8.451 1.00 0.00 H new ATOM 0 HA GLN A 42 -0.600 12.193 10.821 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.098 10.653 9.676 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.460 11.984 8.596 1.00 0.00 H new ATOM 0 HG2 GLN A 42 1.644 12.269 11.606 1.00 0.00 H new ATOM 0 HG3 GLN A 42 2.978 11.656 10.648 1.00 0.00 H new ATOM 0 HE21 GLN A 42 2.877 14.080 12.272 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.186 15.431 11.176 1.00 0.00 H new ATOM 678 N ASP A 43 -0.059 13.998 8.094 1.00 0.00 N ATOM 679 CA ASP A 43 -0.082 15.357 7.567 1.00 0.00 C ATOM 680 C ASP A 43 -1.286 15.566 6.654 1.00 0.00 C ATOM 681 O ASP A 43 -1.537 14.769 5.750 1.00 0.00 O ATOM 682 CB ASP A 43 1.210 15.654 6.804 1.00 0.00 C ATOM 683 CG ASP A 43 1.695 17.074 7.019 1.00 0.00 C ATOM 684 OD1 ASP A 43 2.290 17.343 8.084 1.00 0.00 O ATOM 685 OD2 ASP A 43 1.481 17.917 6.123 1.00 0.00 O ATOM 0 H ASP A 43 0.219 13.288 7.416 1.00 0.00 H new ATOM 0 HA ASP A 43 -0.163 16.045 8.409 1.00 0.00 H new ATOM 0 HB2 ASP A 43 1.985 14.956 7.122 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.047 15.486 5.739 1.00 0.00 H new ATOM 690 N ASN A 44 -2.026 16.642 6.896 1.00 0.00 N ATOM 691 CA ASN A 44 -3.204 16.956 6.096 1.00 0.00 C ATOM 692 C ASN A 44 -2.834 17.184 4.631 1.00 0.00 C ATOM 693 O ASN A 44 -3.688 17.104 3.748 1.00 0.00 O ATOM 694 CB ASN A 44 -3.907 18.196 6.652 1.00 0.00 C ATOM 695 CG ASN A 44 -4.819 17.869 7.819 1.00 0.00 C ATOM 696 OD1 ASN A 44 -4.400 17.244 8.793 1.00 0.00 O ATOM 697 ND2 ASN A 44 -6.074 18.292 7.726 1.00 0.00 N ATOM 0 H ASN A 44 -1.831 17.312 7.640 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.881 16.103 6.149 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.159 18.922 6.971 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -4.490 18.666 5.860 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -6.733 18.102 8.481 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -6.379 18.807 6.900 1.00 0.00 H new ATOM 704 N ALA A 45 -1.559 17.469 4.378 1.00 0.00 N ATOM 705 CA ALA A 45 -1.087 17.708 3.019 1.00 0.00 C ATOM 706 C ALA A 45 -0.934 16.402 2.252 1.00 0.00 C ATOM 707 O ALA A 45 -1.231 16.332 1.060 1.00 0.00 O ATOM 708 CB ALA A 45 0.231 18.468 3.044 1.00 0.00 C ATOM 0 H ALA A 45 -0.837 17.540 5.095 1.00 0.00 H new ATOM 0 HA ALA A 45 -1.833 18.314 2.504 1.00 0.00 H new ATOM 0 HB1 ALA A 45 0.572 18.639 2.023 1.00 0.00 H new ATOM 0 HB2 ALA A 45 0.089 19.426 3.545 1.00 0.00 H new ATOM 0 HB3 ALA A 45 0.978 17.884 3.582 1.00 0.00 H new ATOM 714 N LEU A 46 -0.471 15.368 2.943 1.00 0.00 N ATOM 715 CA LEU A 46 -0.283 14.062 2.325 1.00 0.00 C ATOM 716 C LEU A 46 -1.604 13.528 1.782 1.00 0.00 C ATOM 717 O LEU A 46 -1.630 12.792 0.796 1.00 0.00 O ATOM 718 CB LEU A 46 0.307 13.076 3.334 1.00 0.00 C ATOM 719 CG LEU A 46 1.834 13.084 3.431 1.00 0.00 C ATOM 720 CD1 LEU A 46 2.280 12.990 4.882 1.00 0.00 C ATOM 721 CD2 LEU A 46 2.426 11.943 2.616 1.00 0.00 C ATOM 0 H LEU A 46 -0.219 15.408 3.931 1.00 0.00 H new ATOM 0 HA LEU A 46 0.413 14.175 1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -0.105 13.297 4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -0.020 12.070 3.070 1.00 0.00 H new ATOM 0 HG LEU A 46 2.198 14.026 3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 46 3.369 12.997 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.887 13.840 5.439 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.904 12.065 5.319 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.513 11.964 2.696 1.00 0.00 H new ATOM 0 HD22 LEU A 46 2.052 10.992 2.996 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.137 12.054 1.571 1.00 0.00 H new ATOM 733 N ARG A 47 -2.701 13.907 2.432 1.00 0.00 N ATOM 734 CA ARG A 47 -4.027 13.469 2.015 1.00 0.00 C ATOM 735 C ARG A 47 -4.351 13.978 0.613 1.00 0.00 C ATOM 736 O ARG A 47 -4.681 13.197 -0.280 1.00 0.00 O ATOM 737 CB ARG A 47 -5.085 13.957 3.009 1.00 0.00 C ATOM 738 CG ARG A 47 -5.736 12.834 3.801 1.00 0.00 C ATOM 739 CD ARG A 47 -6.439 13.362 5.041 1.00 0.00 C ATOM 740 NE ARG A 47 -7.879 13.496 4.839 1.00 0.00 N ATOM 741 CZ ARG A 47 -8.762 13.586 5.831 1.00 0.00 C ATOM 742 NH1 ARG A 47 -8.357 13.555 7.094 1.00 0.00 N ATOM 743 NH2 ARG A 47 -10.054 13.707 5.559 1.00 0.00 N ATOM 0 H ARG A 47 -2.696 14.517 3.250 1.00 0.00 H new ATOM 0 HA ARG A 47 -4.035 12.379 1.996 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -4.624 14.660 3.703 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -5.857 14.504 2.467 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -6.454 12.311 3.169 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.979 12.107 4.093 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -6.252 12.689 5.878 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -6.019 14.331 5.311 1.00 0.00 H new ATOM 0 HE ARG A 47 -8.229 13.522 3.881 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -7.364 13.462 7.309 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.038 13.624 7.850 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -10.371 13.731 4.590 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -10.731 13.776 6.319 1.00 0.00 H new ATOM 757 N ASP A 48 -4.251 15.291 0.425 1.00 0.00 N ATOM 758 CA ASP A 48 -4.533 15.896 -0.873 1.00 0.00 C ATOM 759 C ASP A 48 -3.327 15.821 -1.799 1.00 0.00 C ATOM 760 O ASP A 48 -3.374 16.274 -2.943 1.00 0.00 O ATOM 761 CB ASP A 48 -4.982 17.348 -0.705 1.00 0.00 C ATOM 762 CG ASP A 48 -6.128 17.711 -1.629 1.00 0.00 C ATOM 763 OD1 ASP A 48 -6.279 17.046 -2.676 1.00 0.00 O ATOM 764 OD2 ASP A 48 -6.874 18.658 -1.306 1.00 0.00 O ATOM 0 H ASP A 48 -3.978 15.953 1.151 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.343 15.327 -1.331 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -5.286 17.514 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -4.139 18.011 -0.899 1.00 0.00 H new ATOM 769 N GLU A 49 -2.259 15.233 -1.297 1.00 0.00 N ATOM 770 CA GLU A 49 -1.032 15.071 -2.067 1.00 0.00 C ATOM 771 C GLU A 49 -0.936 13.654 -2.622 1.00 0.00 C ATOM 772 O GLU A 49 -0.341 13.426 -3.675 1.00 0.00 O ATOM 773 CB GLU A 49 0.189 15.376 -1.196 1.00 0.00 C ATOM 774 CG GLU A 49 1.503 15.337 -1.958 1.00 0.00 C ATOM 775 CD GLU A 49 1.936 16.706 -2.445 1.00 0.00 C ATOM 776 OE1 GLU A 49 1.098 17.417 -3.039 1.00 0.00 O ATOM 777 OE2 GLU A 49 3.112 17.068 -2.233 1.00 0.00 O ATOM 0 H GLU A 49 -2.212 14.855 -0.351 1.00 0.00 H new ATOM 0 HA GLU A 49 -1.054 15.774 -2.900 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.068 16.362 -0.747 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.231 14.656 -0.378 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.279 14.922 -1.315 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.404 14.666 -2.812 1.00 0.00 H new ATOM 784 N MET A 50 -1.531 12.707 -1.902 1.00 0.00 N ATOM 785 CA MET A 50 -1.523 11.309 -2.313 1.00 0.00 C ATOM 786 C MET A 50 -2.659 11.029 -3.291 1.00 0.00 C ATOM 787 O MET A 50 -2.524 10.208 -4.198 1.00 0.00 O ATOM 788 CB MET A 50 -1.650 10.400 -1.089 1.00 0.00 C ATOM 789 CG MET A 50 -1.687 8.919 -1.428 1.00 0.00 C ATOM 790 SD MET A 50 -2.983 8.032 -0.541 1.00 0.00 S ATOM 791 CE MET A 50 -4.186 7.793 -1.846 1.00 0.00 C ATOM 0 H MET A 50 -2.026 12.885 -1.028 1.00 0.00 H new ATOM 0 HA MET A 50 -0.577 11.103 -2.813 1.00 0.00 H new ATOM 0 HB2 MET A 50 -0.812 10.589 -0.419 1.00 0.00 H new ATOM 0 HB3 MET A 50 -2.558 10.662 -0.546 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.840 8.800 -2.501 1.00 0.00 H new ATOM 0 HG3 MET A 50 -0.721 8.473 -1.193 1.00 0.00 H new ATOM 0 HE1 MET A 50 -5.138 7.487 -1.412 1.00 0.00 H new ATOM 0 HE2 MET A 50 -4.320 8.726 -2.393 1.00 0.00 H new ATOM 0 HE3 MET A 50 -3.833 7.020 -2.529 1.00 0.00 H new ATOM 801 N ARG A 51 -3.779 11.718 -3.098 1.00 0.00 N ATOM 802 CA ARG A 51 -4.942 11.546 -3.960 1.00 0.00 C ATOM 803 C ARG A 51 -4.605 11.891 -5.407 1.00 0.00 C ATOM 804 O ARG A 51 -5.139 11.290 -6.339 1.00 0.00 O ATOM 805 CB ARG A 51 -6.098 12.420 -3.467 1.00 0.00 C ATOM 806 CG ARG A 51 -7.177 11.642 -2.731 1.00 0.00 C ATOM 807 CD ARG A 51 -6.619 10.946 -1.501 1.00 0.00 C ATOM 808 NE ARG A 51 -7.596 10.048 -0.890 1.00 0.00 N ATOM 809 CZ ARG A 51 -8.668 10.466 -0.220 1.00 0.00 C ATOM 810 NH1 ARG A 51 -8.900 11.764 -0.068 1.00 0.00 N ATOM 811 NH2 ARG A 51 -9.509 9.583 0.301 1.00 0.00 N ATOM 0 H ARG A 51 -3.906 12.401 -2.351 1.00 0.00 H new ATOM 0 HA ARG A 51 -5.243 10.499 -3.920 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -5.703 13.192 -2.806 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -6.547 12.930 -4.320 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -7.978 12.319 -2.435 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -7.616 10.903 -3.401 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -5.729 10.380 -1.777 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -6.308 11.694 -0.771 1.00 0.00 H new ATOM 0 HE ARG A 51 -7.448 9.043 -0.982 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -8.255 12.447 -0.465 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -9.723 12.078 0.446 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -9.334 8.584 0.188 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -10.330 9.902 0.814 1.00 0.00 H new ATOM 825 N ALA A 52 -3.716 12.863 -5.588 1.00 0.00 N ATOM 826 CA ALA A 52 -3.309 13.287 -6.922 1.00 0.00 C ATOM 827 C ALA A 52 -2.158 12.433 -7.444 1.00 0.00 C ATOM 828 O ALA A 52 -2.127 12.067 -8.618 1.00 0.00 O ATOM 829 CB ALA A 52 -2.915 14.756 -6.911 1.00 0.00 C ATOM 0 H ALA A 52 -3.264 13.371 -4.828 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.158 13.154 -7.593 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -2.613 15.059 -7.914 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -3.765 15.358 -6.590 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -2.084 14.905 -6.221 1.00 0.00 H new ATOM 835 N LEU A 53 -1.214 12.119 -6.563 1.00 0.00 N ATOM 836 CA LEU A 53 -0.061 11.308 -6.935 1.00 0.00 C ATOM 837 C LEU A 53 -0.498 9.933 -7.432 1.00 0.00 C ATOM 838 O LEU A 53 0.174 9.319 -8.261 1.00 0.00 O ATOM 839 CB LEU A 53 0.889 11.158 -5.744 1.00 0.00 C ATOM 840 CG LEU A 53 2.352 11.496 -6.038 1.00 0.00 C ATOM 841 CD1 LEU A 53 2.877 10.640 -7.180 1.00 0.00 C ATOM 842 CD2 LEU A 53 2.501 12.974 -6.364 1.00 0.00 C ATOM 0 H LEU A 53 -1.225 12.414 -5.587 1.00 0.00 H new ATOM 0 HA LEU A 53 0.462 11.815 -7.746 1.00 0.00 H new ATOM 0 HB2 LEU A 53 0.539 11.800 -4.936 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.835 10.131 -5.382 1.00 0.00 H new ATOM 0 HG LEU A 53 2.943 11.280 -5.148 1.00 0.00 H new ATOM 0 HD11 LEU A 53 3.919 10.894 -7.376 1.00 0.00 H new ATOM 0 HD12 LEU A 53 2.805 9.587 -6.908 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.284 10.825 -8.076 1.00 0.00 H new ATOM 0 HD21 LEU A 53 3.548 13.197 -6.571 1.00 0.00 H new ATOM 0 HD22 LEU A 53 1.899 13.216 -7.240 1.00 0.00 H new ATOM 0 HD23 LEU A 53 2.164 13.570 -5.516 1.00 0.00 H new ATOM 854 N ALA A 54 -1.628 9.454 -6.920 1.00 0.00 N ATOM 855 CA ALA A 54 -2.153 8.152 -7.312 1.00 0.00 C ATOM 856 C ALA A 54 -3.149 8.273 -8.464 1.00 0.00 C ATOM 857 O ALA A 54 -3.898 7.338 -8.745 1.00 0.00 O ATOM 858 CB ALA A 54 -2.806 7.470 -6.120 1.00 0.00 C ATOM 0 H ALA A 54 -2.197 9.949 -6.233 1.00 0.00 H new ATOM 0 HA ALA A 54 -1.317 7.545 -7.658 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -3.195 6.498 -6.425 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.068 7.334 -5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -3.624 8.088 -5.750 1.00 0.00 H new ATOM 864 N GLY A 55 -3.155 9.427 -9.129 1.00 0.00 N ATOM 865 CA GLY A 55 -4.066 9.641 -10.242 1.00 0.00 C ATOM 866 C GLY A 55 -5.493 9.247 -9.911 1.00 0.00 C ATOM 867 O GLY A 55 -6.144 8.541 -10.682 1.00 0.00 O ATOM 0 H GLY A 55 -2.546 10.217 -8.917 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -4.041 10.692 -10.531 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -3.724 9.066 -11.102 1.00 0.00 H new ATOM 871 N ASN A 56 -5.978 9.705 -8.761 1.00 0.00 N ATOM 872 CA ASN A 56 -7.334 9.402 -8.319 1.00 0.00 C ATOM 873 C ASN A 56 -7.595 10.015 -6.964 1.00 0.00 C ATOM 874 O ASN A 56 -6.981 9.642 -5.964 1.00 0.00 O ATOM 875 CB ASN A 56 -7.569 7.890 -8.264 1.00 0.00 C ATOM 876 CG ASN A 56 -8.989 7.539 -7.867 1.00 0.00 C ATOM 877 OD1 ASN A 56 -9.945 7.889 -8.560 1.00 0.00 O ATOM 878 ND2 ASN A 56 -9.135 6.843 -6.745 1.00 0.00 N ATOM 0 H ASN A 56 -5.448 10.291 -8.115 1.00 0.00 H new ATOM 0 HA ASN A 56 -8.027 9.831 -9.043 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -7.350 7.455 -9.239 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -6.875 7.443 -7.552 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -10.067 6.578 -6.427 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -8.315 6.574 -6.201 1.00 0.00 H new ATOM 885 N PRO A 57 -8.513 10.983 -6.920 1.00 0.00 N ATOM 886 CA PRO A 57 -8.868 11.677 -5.702 1.00 0.00 C ATOM 887 C PRO A 57 -9.952 10.955 -4.909 1.00 0.00 C ATOM 888 O PRO A 57 -10.674 11.567 -4.122 1.00 0.00 O ATOM 889 CB PRO A 57 -9.373 13.028 -6.213 1.00 0.00 C ATOM 890 CG PRO A 57 -9.413 12.948 -7.707 1.00 0.00 C ATOM 891 CD PRO A 57 -9.276 11.502 -8.057 1.00 0.00 C ATOM 0 HA PRO A 57 -8.029 11.751 -5.010 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -10.363 13.245 -5.813 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -8.714 13.833 -5.888 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -10.348 13.354 -8.093 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -8.606 13.532 -8.149 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -10.245 11.013 -8.155 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -8.750 11.359 -9.001 1.00 0.00 H new ATOM 899 N LYS A 58 -10.051 9.650 -5.117 1.00 0.00 N ATOM 900 CA LYS A 58 -11.035 8.830 -4.420 1.00 0.00 C ATOM 901 C LYS A 58 -10.409 7.520 -3.942 1.00 0.00 C ATOM 902 O LYS A 58 -11.111 6.617 -3.489 1.00 0.00 O ATOM 903 CB LYS A 58 -12.225 8.536 -5.335 1.00 0.00 C ATOM 904 CG LYS A 58 -13.273 9.637 -5.343 1.00 0.00 C ATOM 905 CD LYS A 58 -14.681 9.066 -5.407 1.00 0.00 C ATOM 906 CE LYS A 58 -15.722 10.165 -5.545 1.00 0.00 C ATOM 907 NZ LYS A 58 -17.089 9.612 -5.754 1.00 0.00 N ATOM 0 H LYS A 58 -9.459 9.133 -5.767 1.00 0.00 H new ATOM 0 HA LYS A 58 -11.384 9.385 -3.549 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.862 8.384 -6.352 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.693 7.603 -5.021 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -13.167 10.248 -4.446 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.106 10.293 -6.197 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -14.759 8.381 -6.252 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -14.881 8.485 -4.506 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -15.715 10.786 -4.650 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -15.459 10.811 -6.383 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -17.770 10.393 -5.843 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -17.103 9.040 -6.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -17.350 9.016 -4.943 1.00 0.00 H new ATOM 921 N ALA A 59 -9.084 7.424 -4.046 1.00 0.00 N ATOM 922 CA ALA A 59 -8.368 6.226 -3.625 1.00 0.00 C ATOM 923 C ALA A 59 -8.536 5.980 -2.130 1.00 0.00 C ATOM 924 O ALA A 59 -9.383 6.593 -1.480 1.00 0.00 O ATOM 925 CB ALA A 59 -6.893 6.345 -3.980 1.00 0.00 C ATOM 0 H ALA A 59 -8.487 8.163 -4.418 1.00 0.00 H new ATOM 0 HA ALA A 59 -8.793 5.373 -4.155 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -6.368 5.445 -3.661 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -6.787 6.464 -5.058 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -6.466 7.212 -3.475 1.00 0.00 H new ATOM 931 N THR A 60 -7.723 5.077 -1.592 1.00 0.00 N ATOM 932 CA THR A 60 -7.776 4.744 -0.175 1.00 0.00 C ATOM 933 C THR A 60 -6.369 4.670 0.412 1.00 0.00 C ATOM 934 O THR A 60 -5.390 4.535 -0.322 1.00 0.00 O ATOM 935 CB THR A 60 -8.499 3.411 0.028 1.00 0.00 C ATOM 936 OG1 THR A 60 -7.872 2.383 -0.718 1.00 0.00 O ATOM 937 CG2 THR A 60 -9.956 3.452 -0.381 1.00 0.00 C ATOM 0 H THR A 60 -7.018 4.562 -2.119 1.00 0.00 H new ATOM 0 HA THR A 60 -8.328 5.529 0.342 1.00 0.00 H new ATOM 0 HB THR A 60 -8.445 3.212 1.098 1.00 0.00 H new ATOM 0 HG1 THR A 60 -8.347 1.538 -0.574 1.00 0.00 H new ATOM 0 HG21 THR A 60 -10.409 2.475 -0.211 1.00 0.00 H new ATOM 0 HG22 THR A 60 -10.479 4.203 0.211 1.00 0.00 H new ATOM 0 HG23 THR A 60 -10.030 3.708 -1.438 1.00 0.00 H new ATOM 945 N PRO A 61 -6.245 4.755 1.748 1.00 0.00 N ATOM 946 CA PRO A 61 -4.947 4.695 2.424 1.00 0.00 C ATOM 947 C PRO A 61 -4.058 3.564 1.902 1.00 0.00 C ATOM 948 O PRO A 61 -2.896 3.791 1.568 1.00 0.00 O ATOM 949 CB PRO A 61 -5.323 4.462 3.886 1.00 0.00 C ATOM 950 CG PRO A 61 -6.666 5.091 4.032 1.00 0.00 C ATOM 951 CD PRO A 61 -7.358 4.916 2.705 1.00 0.00 C ATOM 0 HA PRO A 61 -4.361 5.599 2.260 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -5.355 3.398 4.123 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -4.597 4.917 4.560 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -7.233 4.616 4.833 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -6.576 6.147 4.288 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.013 4.045 2.707 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -7.976 5.779 2.459 1.00 0.00 H new ATOM 959 N PRO A 62 -4.584 2.325 1.821 1.00 0.00 N ATOM 960 CA PRO A 62 -3.808 1.178 1.334 1.00 0.00 C ATOM 961 C PRO A 62 -3.344 1.361 -0.108 1.00 0.00 C ATOM 962 O PRO A 62 -3.977 0.869 -1.043 1.00 0.00 O ATOM 963 CB PRO A 62 -4.783 0.000 1.438 1.00 0.00 C ATOM 964 CG PRO A 62 -6.137 0.619 1.496 1.00 0.00 C ATOM 965 CD PRO A 62 -5.958 1.938 2.191 1.00 0.00 C ATOM 0 HA PRO A 62 -2.895 1.037 1.913 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -4.690 -0.665 0.579 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.585 -0.598 2.327 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -6.546 0.757 0.495 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -6.834 -0.018 2.040 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -6.689 2.674 1.855 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -6.074 1.844 3.271 1.00 0.00 H new ATOM 973 N GLN A 63 -2.232 2.069 -0.279 1.00 0.00 N ATOM 974 CA GLN A 63 -1.673 2.317 -1.604 1.00 0.00 C ATOM 975 C GLN A 63 -0.158 2.146 -1.587 1.00 0.00 C ATOM 976 O GLN A 63 0.557 2.916 -0.945 1.00 0.00 O ATOM 977 CB GLN A 63 -2.039 3.725 -2.080 1.00 0.00 C ATOM 978 CG GLN A 63 -3.535 3.944 -2.242 1.00 0.00 C ATOM 979 CD GLN A 63 -3.986 3.854 -3.686 1.00 0.00 C ATOM 980 OE1 GLN A 63 -3.514 4.601 -4.544 1.00 0.00 O ATOM 981 NE2 GLN A 63 -4.906 2.937 -3.963 1.00 0.00 N ATOM 0 H GLN A 63 -1.699 2.482 0.486 1.00 0.00 H new ATOM 0 HA GLN A 63 -2.096 1.590 -2.297 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -1.649 4.453 -1.368 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -1.547 3.916 -3.034 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -4.073 3.203 -1.651 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -3.800 4.923 -1.843 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -5.270 2.339 -3.221 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -5.249 2.831 -4.918 1.00 0.00 H new ATOM 990 N ILE A 64 0.325 1.128 -2.291 1.00 0.00 N ATOM 991 CA ILE A 64 1.756 0.849 -2.352 1.00 0.00 C ATOM 992 C ILE A 64 2.460 1.766 -3.347 1.00 0.00 C ATOM 993 O ILE A 64 1.883 2.159 -4.361 1.00 0.00 O ATOM 994 CB ILE A 64 2.025 -0.618 -2.744 1.00 0.00 C ATOM 995 CG1 ILE A 64 1.204 -1.566 -1.866 1.00 0.00 C ATOM 996 CG2 ILE A 64 3.509 -0.934 -2.629 1.00 0.00 C ATOM 997 CD1 ILE A 64 0.545 -2.687 -2.641 1.00 0.00 C ATOM 0 H ILE A 64 -0.253 0.482 -2.828 1.00 0.00 H new ATOM 0 HA ILE A 64 2.154 1.032 -1.354 1.00 0.00 H new ATOM 0 HB ILE A 64 1.721 -0.761 -3.781 1.00 0.00 H new ATOM 0 HG12 ILE A 64 1.853 -1.995 -1.103 1.00 0.00 H new ATOM 0 HG13 ILE A 64 0.436 -0.994 -1.346 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.683 -1.973 -2.909 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.073 -0.280 -3.294 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.836 -0.776 -1.601 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.020 -3.320 -1.956 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.130 -2.266 -3.387 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.309 -3.283 -3.139 1.00 0.00 H new ATOM 1009 N VAL A 65 3.711 2.098 -3.049 1.00 0.00 N ATOM 1010 CA VAL A 65 4.503 2.965 -3.913 1.00 0.00 C ATOM 1011 C VAL A 65 5.938 2.460 -4.019 1.00 0.00 C ATOM 1012 O VAL A 65 6.534 2.038 -3.028 1.00 0.00 O ATOM 1013 CB VAL A 65 4.510 4.418 -3.395 1.00 0.00 C ATOM 1014 CG1 VAL A 65 5.339 5.320 -4.302 1.00 0.00 C ATOM 1015 CG2 VAL A 65 3.088 4.943 -3.266 1.00 0.00 C ATOM 0 H VAL A 65 4.200 1.779 -2.213 1.00 0.00 H new ATOM 0 HA VAL A 65 4.041 2.947 -4.900 1.00 0.00 H new ATOM 0 HB VAL A 65 4.972 4.424 -2.408 1.00 0.00 H new ATOM 0 HG11 VAL A 65 5.326 6.338 -3.913 1.00 0.00 H new ATOM 0 HG12 VAL A 65 6.366 4.957 -4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 65 4.918 5.311 -5.307 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.111 5.969 -2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.601 4.917 -4.241 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.532 4.320 -2.565 1.00 0.00 H new ATOM 1025 N ASN A 66 6.487 2.505 -5.227 1.00 0.00 N ATOM 1026 CA ASN A 66 7.852 2.052 -5.466 1.00 0.00 C ATOM 1027 C ASN A 66 8.752 3.221 -5.853 1.00 0.00 C ATOM 1028 O ASN A 66 8.969 3.487 -7.035 1.00 0.00 O ATOM 1029 CB ASN A 66 7.874 0.987 -6.565 1.00 0.00 C ATOM 1030 CG ASN A 66 8.800 -0.167 -6.233 1.00 0.00 C ATOM 1031 OD1 ASN A 66 9.990 -0.133 -6.546 1.00 0.00 O ATOM 1032 ND2 ASN A 66 8.257 -1.198 -5.596 1.00 0.00 N ATOM 0 H ASN A 66 6.007 2.851 -6.058 1.00 0.00 H new ATOM 0 HA ASN A 66 8.232 1.616 -4.542 1.00 0.00 H new ATOM 0 HB2 ASN A 66 6.864 0.606 -6.719 1.00 0.00 H new ATOM 0 HB3 ASN A 66 8.189 1.444 -7.503 1.00 0.00 H new ATOM 0 HD21 ASN A 66 8.831 -2.003 -5.347 1.00 0.00 H new ATOM 0 HD22 ASN A 66 7.266 -1.184 -5.356 1.00 0.00 H new ATOM 1039 N GLY A 67 9.273 3.917 -4.848 1.00 0.00 N ATOM 1040 CA GLY A 67 10.142 5.050 -5.102 1.00 0.00 C ATOM 1041 C GLY A 67 9.394 6.368 -5.093 1.00 0.00 C ATOM 1042 O GLY A 67 9.257 7.005 -4.048 1.00 0.00 O ATOM 0 H GLY A 67 9.108 3.716 -3.862 1.00 0.00 H new ATOM 0 HA2 GLY A 67 10.928 5.077 -4.348 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.631 4.920 -6.068 1.00 0.00 H new ATOM 1046 N ASP A 68 8.908 6.777 -6.259 1.00 0.00 N ATOM 1047 CA ASP A 68 8.168 8.028 -6.383 1.00 0.00 C ATOM 1048 C ASP A 68 7.073 7.908 -7.436 1.00 0.00 C ATOM 1049 O ASP A 68 6.809 8.852 -8.182 1.00 0.00 O ATOM 1050 CB ASP A 68 9.117 9.172 -6.743 1.00 0.00 C ATOM 1051 CG ASP A 68 9.972 9.606 -5.568 1.00 0.00 C ATOM 1052 OD1 ASP A 68 9.403 9.904 -4.498 1.00 0.00 O ATOM 1053 OD2 ASP A 68 11.211 9.646 -5.719 1.00 0.00 O ATOM 0 H ASP A 68 9.013 6.261 -7.132 1.00 0.00 H new ATOM 0 HA ASP A 68 7.701 8.243 -5.422 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.763 8.860 -7.563 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.537 10.023 -7.100 1.00 0.00 H new ATOM 1058 N GLN A 69 6.437 6.742 -7.494 1.00 0.00 N ATOM 1059 CA GLN A 69 5.371 6.502 -8.457 1.00 0.00 C ATOM 1060 C GLN A 69 4.312 5.574 -7.873 1.00 0.00 C ATOM 1061 O GLN A 69 4.538 4.919 -6.856 1.00 0.00 O ATOM 1062 CB GLN A 69 5.945 5.902 -9.743 1.00 0.00 C ATOM 1063 CG GLN A 69 5.829 6.822 -10.948 1.00 0.00 C ATOM 1064 CD GLN A 69 6.792 6.453 -12.058 1.00 0.00 C ATOM 1065 OE1 GLN A 69 7.993 6.303 -11.830 1.00 0.00 O ATOM 1066 NE2 GLN A 69 6.270 6.304 -13.270 1.00 0.00 N ATOM 0 H GLN A 69 6.642 5.950 -6.885 1.00 0.00 H new ATOM 0 HA GLN A 69 4.900 7.457 -8.690 1.00 0.00 H new ATOM 0 HB2 GLN A 69 6.995 5.657 -9.583 1.00 0.00 H new ATOM 0 HB3 GLN A 69 5.429 4.967 -9.959 1.00 0.00 H new ATOM 0 HG2 GLN A 69 4.809 6.787 -11.330 1.00 0.00 H new ATOM 0 HG3 GLN A 69 6.017 7.849 -10.636 1.00 0.00 H new ATOM 0 HE21 GLN A 69 5.269 6.438 -13.414 1.00 0.00 H new ATOM 0 HE22 GLN A 69 6.870 6.056 -14.057 1.00 0.00 H new ATOM 1075 N TYR A 70 3.156 5.520 -8.523 1.00 0.00 N ATOM 1076 CA TYR A 70 2.064 4.671 -8.066 1.00 0.00 C ATOM 1077 C TYR A 70 2.293 3.224 -8.486 1.00 0.00 C ATOM 1078 O TYR A 70 2.077 2.860 -9.642 1.00 0.00 O ATOM 1079 CB TYR A 70 0.731 5.174 -8.626 1.00 0.00 C ATOM 1080 CG TYR A 70 -0.476 4.464 -8.054 1.00 0.00 C ATOM 1081 CD1 TYR A 70 -0.533 4.123 -6.709 1.00 0.00 C ATOM 1082 CD2 TYR A 70 -1.558 4.136 -8.861 1.00 0.00 C ATOM 1083 CE1 TYR A 70 -1.634 3.474 -6.184 1.00 0.00 C ATOM 1084 CE2 TYR A 70 -2.663 3.488 -8.343 1.00 0.00 C ATOM 1085 CZ TYR A 70 -2.696 3.160 -7.005 1.00 0.00 C ATOM 1086 OH TYR A 70 -3.795 2.514 -6.485 1.00 0.00 O ATOM 0 H TYR A 70 2.951 6.054 -9.368 1.00 0.00 H new ATOM 0 HA TYR A 70 2.031 4.714 -6.977 1.00 0.00 H new ATOM 0 HB2 TYR A 70 0.642 6.242 -8.425 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.733 5.053 -9.709 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.297 4.369 -6.063 1.00 0.00 H new ATOM 0 HD2 TYR A 70 -1.535 4.392 -9.910 1.00 0.00 H new ATOM 0 HE1 TYR A 70 -1.662 3.214 -5.136 1.00 0.00 H new ATOM 0 HE2 TYR A 70 -3.496 3.240 -8.983 1.00 0.00 H new ATOM 0 HH TYR A 70 -3.742 1.558 -6.695 1.00 0.00 H new ATOM 1096 N CYS A 71 2.736 2.404 -7.539 1.00 0.00 N ATOM 1097 CA CYS A 71 3.001 0.996 -7.809 1.00 0.00 C ATOM 1098 C CYS A 71 1.709 0.185 -7.807 1.00 0.00 C ATOM 1099 O CYS A 71 1.457 -0.597 -8.724 1.00 0.00 O ATOM 1100 CB CYS A 71 3.972 0.431 -6.771 1.00 0.00 C ATOM 1101 SG CYS A 71 4.715 -1.150 -7.239 1.00 0.00 S ATOM 0 H CYS A 71 2.919 2.691 -6.577 1.00 0.00 H new ATOM 0 HA CYS A 71 3.452 0.922 -8.799 1.00 0.00 H new ATOM 0 HB2 CYS A 71 4.767 1.157 -6.599 1.00 0.00 H new ATOM 0 HB3 CYS A 71 3.444 0.307 -5.825 1.00 0.00 H new ATOM 0 HG CYS A 71 3.949 -2.123 -6.843 1.00 0.00 H new ATOM 1107 N GLY A 72 0.892 0.374 -6.775 1.00 0.00 N ATOM 1108 CA GLY A 72 -0.361 -0.352 -6.686 1.00 0.00 C ATOM 1109 C GLY A 72 -1.130 -0.039 -5.419 1.00 0.00 C ATOM 1110 O GLY A 72 -0.957 1.025 -4.825 1.00 0.00 O ATOM 0 H GLY A 72 1.075 1.014 -6.002 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -0.979 -0.109 -7.550 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -0.160 -1.422 -6.729 1.00 0.00 H new ATOM 1114 N ASP A 73 -1.983 -0.970 -5.006 1.00 0.00 N ATOM 1115 CA ASP A 73 -2.785 -0.794 -3.802 1.00 0.00 C ATOM 1116 C ASP A 73 -3.287 -2.140 -3.283 1.00 0.00 C ATOM 1117 O ASP A 73 -2.804 -3.194 -3.699 1.00 0.00 O ATOM 1118 CB ASP A 73 -3.964 0.143 -4.085 1.00 0.00 C ATOM 1119 CG ASP A 73 -4.948 -0.443 -5.079 1.00 0.00 C ATOM 1120 OD1 ASP A 73 -5.603 -1.451 -4.743 1.00 0.00 O ATOM 1121 OD2 ASP A 73 -5.065 0.109 -6.194 1.00 0.00 O ATOM 0 H ASP A 73 -2.137 -1.855 -5.489 1.00 0.00 H new ATOM 0 HA ASP A 73 -2.157 -0.346 -3.032 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -4.482 0.361 -3.151 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -3.586 1.091 -4.469 1.00 0.00 H new ATOM 1126 N TYR A 74 -4.253 -2.099 -2.371 1.00 0.00 N ATOM 1127 CA TYR A 74 -4.815 -3.316 -1.792 1.00 0.00 C ATOM 1128 C TYR A 74 -5.316 -4.268 -2.875 1.00 0.00 C ATOM 1129 O TYR A 74 -4.936 -5.438 -2.910 1.00 0.00 O ATOM 1130 CB TYR A 74 -5.959 -2.966 -0.837 1.00 0.00 C ATOM 1131 CG TYR A 74 -6.609 -4.172 -0.198 1.00 0.00 C ATOM 1132 CD1 TYR A 74 -6.104 -4.719 0.975 1.00 0.00 C ATOM 1133 CD2 TYR A 74 -7.729 -4.765 -0.768 1.00 0.00 C ATOM 1134 CE1 TYR A 74 -6.695 -5.822 1.561 1.00 0.00 C ATOM 1135 CE2 TYR A 74 -8.327 -5.867 -0.188 1.00 0.00 C ATOM 1136 CZ TYR A 74 -7.806 -6.392 0.976 1.00 0.00 C ATOM 1137 OH TYR A 74 -8.398 -7.490 1.557 1.00 0.00 O ATOM 0 H TYR A 74 -4.664 -1.236 -2.016 1.00 0.00 H new ATOM 0 HA TYR A 74 -4.022 -3.819 -1.239 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -5.578 -2.312 -0.053 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -6.716 -2.403 -1.382 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.235 -4.275 1.437 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.139 -4.357 -1.680 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.289 -6.235 2.472 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.198 -6.315 -0.644 1.00 0.00 H new ATOM 0 HH TYR A 74 -8.145 -7.536 2.503 1.00 0.00 H new ATOM 1147 N GLU A 75 -6.176 -3.762 -3.754 1.00 0.00 N ATOM 1148 CA GLU A 75 -6.737 -4.562 -4.831 1.00 0.00 C ATOM 1149 C GLU A 75 -5.653 -5.307 -5.607 1.00 0.00 C ATOM 1150 O GLU A 75 -5.662 -6.535 -5.675 1.00 0.00 O ATOM 1151 CB GLU A 75 -7.534 -3.663 -5.770 1.00 0.00 C ATOM 1152 CG GLU A 75 -8.837 -4.282 -6.234 1.00 0.00 C ATOM 1153 CD GLU A 75 -8.859 -4.555 -7.725 1.00 0.00 C ATOM 1154 OE1 GLU A 75 -7.812 -4.964 -8.270 1.00 0.00 O ATOM 1155 OE2 GLU A 75 -9.924 -4.360 -8.349 1.00 0.00 O ATOM 0 H GLU A 75 -6.499 -2.795 -3.738 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.395 -5.311 -4.391 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.747 -2.721 -5.265 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.922 -3.426 -6.641 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.003 -5.215 -5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.661 -3.616 -5.979 1.00 0.00 H new ATOM 1162 N LEU A 76 -4.723 -4.559 -6.192 1.00 0.00 N ATOM 1163 CA LEU A 76 -3.637 -5.158 -6.963 1.00 0.00 C ATOM 1164 C LEU A 76 -2.858 -6.162 -6.120 1.00 0.00 C ATOM 1165 O LEU A 76 -2.793 -7.348 -6.448 1.00 0.00 O ATOM 1166 CB LEU A 76 -2.690 -4.074 -7.482 1.00 0.00 C ATOM 1167 CG LEU A 76 -3.335 -3.037 -8.403 1.00 0.00 C ATOM 1168 CD1 LEU A 76 -3.684 -1.777 -7.626 1.00 0.00 C ATOM 1169 CD2 LEU A 76 -2.411 -2.709 -9.567 1.00 0.00 C ATOM 0 H LEU A 76 -4.698 -3.540 -6.148 1.00 0.00 H new ATOM 0 HA LEU A 76 -4.078 -5.684 -7.810 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -2.252 -3.557 -6.628 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -1.871 -4.554 -8.018 1.00 0.00 H new ATOM 0 HG LEU A 76 -4.256 -3.459 -8.804 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -4.142 -1.051 -8.297 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -4.383 -2.024 -6.827 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -2.777 -1.352 -7.196 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -2.886 -1.970 -10.212 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -1.473 -2.307 -9.185 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -2.211 -3.615 -10.140 1.00 0.00 H new ATOM 1181 N PHE A 77 -2.270 -5.678 -5.031 1.00 0.00 N ATOM 1182 CA PHE A 77 -1.493 -6.527 -4.133 1.00 0.00 C ATOM 1183 C PHE A 77 -2.269 -7.794 -3.771 1.00 0.00 C ATOM 1184 O PHE A 77 -1.766 -8.908 -3.923 1.00 0.00 O ATOM 1185 CB PHE A 77 -1.128 -5.749 -2.866 1.00 0.00 C ATOM 1186 CG PHE A 77 -0.462 -6.586 -1.809 1.00 0.00 C ATOM 1187 CD1 PHE A 77 0.843 -7.022 -1.972 1.00 0.00 C ATOM 1188 CD2 PHE A 77 -1.143 -6.936 -0.654 1.00 0.00 C ATOM 1189 CE1 PHE A 77 1.457 -7.791 -1.002 1.00 0.00 C ATOM 1190 CE2 PHE A 77 -0.534 -7.705 0.319 1.00 0.00 C ATOM 1191 CZ PHE A 77 0.768 -8.133 0.145 1.00 0.00 C ATOM 0 H PHE A 77 -2.317 -4.699 -4.748 1.00 0.00 H new ATOM 0 HA PHE A 77 -0.578 -6.825 -4.646 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -0.466 -4.926 -3.135 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.033 -5.307 -2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 77 1.386 -6.758 -2.867 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -2.161 -6.604 -0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 77 2.475 -8.124 -1.141 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.075 -7.971 1.215 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.246 -8.734 0.904 1.00 0.00 H new ATOM 1201 N VAL A 78 -3.498 -7.614 -3.295 1.00 0.00 N ATOM 1202 CA VAL A 78 -4.344 -8.739 -2.914 1.00 0.00 C ATOM 1203 C VAL A 78 -4.722 -9.576 -4.133 1.00 0.00 C ATOM 1204 O VAL A 78 -4.903 -10.789 -4.033 1.00 0.00 O ATOM 1205 CB VAL A 78 -5.630 -8.264 -2.208 1.00 0.00 C ATOM 1206 CG1 VAL A 78 -6.466 -9.452 -1.757 1.00 0.00 C ATOM 1207 CG2 VAL A 78 -5.288 -7.368 -1.027 1.00 0.00 C ATOM 0 H VAL A 78 -3.930 -6.699 -3.164 1.00 0.00 H new ATOM 0 HA VAL A 78 -3.767 -9.351 -2.221 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.219 -7.685 -2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -7.369 -9.095 -1.261 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.742 -10.053 -2.624 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -5.888 -10.061 -1.062 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.207 -7.042 -0.540 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -4.677 -7.922 -0.315 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -4.735 -6.497 -1.379 1.00 0.00 H new ATOM 1217 N GLU A 79 -4.838 -8.919 -5.282 1.00 0.00 N ATOM 1218 CA GLU A 79 -5.193 -9.602 -6.521 1.00 0.00 C ATOM 1219 C GLU A 79 -4.009 -10.396 -7.075 1.00 0.00 C ATOM 1220 O GLU A 79 -4.150 -11.131 -8.051 1.00 0.00 O ATOM 1221 CB GLU A 79 -5.675 -8.595 -7.566 1.00 0.00 C ATOM 1222 CG GLU A 79 -6.063 -9.234 -8.890 1.00 0.00 C ATOM 1223 CD GLU A 79 -7.411 -8.759 -9.395 1.00 0.00 C ATOM 1224 OE1 GLU A 79 -8.285 -8.450 -8.558 1.00 0.00 O ATOM 1225 OE2 GLU A 79 -7.594 -8.697 -10.629 1.00 0.00 O ATOM 0 H GLU A 79 -4.691 -7.914 -5.381 1.00 0.00 H new ATOM 0 HA GLU A 79 -6.000 -10.300 -6.296 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -6.533 -8.053 -7.168 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -4.888 -7.862 -7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.300 -9.008 -9.635 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.084 -10.318 -8.774 1.00 0.00 H new ATOM 1232 N ALA A 80 -2.843 -10.239 -6.455 1.00 0.00 N ATOM 1233 CA ALA A 80 -1.646 -10.941 -6.898 1.00 0.00 C ATOM 1234 C ALA A 80 -1.424 -12.221 -6.096 1.00 0.00 C ATOM 1235 O ALA A 80 -1.296 -13.305 -6.665 1.00 0.00 O ATOM 1236 CB ALA A 80 -0.437 -10.024 -6.789 1.00 0.00 C ATOM 0 H ALA A 80 -2.703 -9.633 -5.646 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.783 -11.226 -7.941 1.00 0.00 H new ATOM 0 HB1 ALA A 80 0.454 -10.556 -7.122 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -0.590 -9.145 -7.415 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -0.308 -9.714 -5.752 1.00 0.00 H new ATOM 1242 N VAL A 81 -1.381 -12.091 -4.773 1.00 0.00 N ATOM 1243 CA VAL A 81 -1.176 -13.244 -3.892 1.00 0.00 C ATOM 1244 C VAL A 81 -2.147 -14.370 -4.232 1.00 0.00 C ATOM 1245 O VAL A 81 -1.819 -15.551 -4.121 1.00 0.00 O ATOM 1246 CB VAL A 81 -1.364 -12.874 -2.404 1.00 0.00 C ATOM 1247 CG1 VAL A 81 -0.663 -13.885 -1.511 1.00 0.00 C ATOM 1248 CG2 VAL A 81 -0.862 -11.465 -2.119 1.00 0.00 C ATOM 0 H VAL A 81 -1.485 -11.201 -4.285 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.149 -13.573 -4.051 1.00 0.00 H new ATOM 0 HB VAL A 81 -2.431 -12.898 -2.183 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -0.806 -13.609 -0.466 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -1.082 -14.876 -1.685 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.402 -13.896 -1.741 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -1.008 -11.233 -1.064 1.00 0.00 H new ATOM 0 HG22 VAL A 81 0.199 -11.401 -2.362 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -1.417 -10.751 -2.727 1.00 0.00 H new ATOM 1258 N GLU A 82 -3.347 -13.981 -4.635 1.00 0.00 N ATOM 1259 CA GLU A 82 -4.401 -14.930 -4.988 1.00 0.00 C ATOM 1260 C GLU A 82 -3.948 -15.925 -6.056 1.00 0.00 C ATOM 1261 O GLU A 82 -4.137 -17.133 -5.907 1.00 0.00 O ATOM 1262 CB GLU A 82 -5.631 -14.174 -5.486 1.00 0.00 C ATOM 1263 CG GLU A 82 -5.296 -13.008 -6.404 1.00 0.00 C ATOM 1264 CD GLU A 82 -6.008 -13.094 -7.740 1.00 0.00 C ATOM 1265 OE1 GLU A 82 -7.257 -13.064 -7.750 1.00 0.00 O ATOM 1266 OE2 GLU A 82 -5.318 -13.190 -8.776 1.00 0.00 O ATOM 0 H GLU A 82 -3.621 -13.003 -4.728 1.00 0.00 H new ATOM 0 HA GLU A 82 -4.645 -15.496 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -6.284 -14.867 -6.016 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.191 -13.802 -4.628 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -5.566 -12.074 -5.912 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -4.219 -12.980 -6.571 1.00 0.00 H new ATOM 1273 N GLN A 83 -3.361 -15.416 -7.134 1.00 0.00 N ATOM 1274 CA GLN A 83 -2.897 -16.266 -8.224 1.00 0.00 C ATOM 1275 C GLN A 83 -1.394 -16.501 -8.131 1.00 0.00 C ATOM 1276 O GLN A 83 -0.782 -17.045 -9.049 1.00 0.00 O ATOM 1277 CB GLN A 83 -3.241 -15.626 -9.571 1.00 0.00 C ATOM 1278 CG GLN A 83 -3.792 -16.610 -10.591 1.00 0.00 C ATOM 1279 CD GLN A 83 -4.696 -15.947 -11.611 1.00 0.00 C ATOM 1280 OE1 GLN A 83 -4.340 -14.929 -12.205 1.00 0.00 O ATOM 1281 NE2 GLN A 83 -5.874 -16.522 -11.821 1.00 0.00 N ATOM 0 H GLN A 83 -3.195 -14.420 -7.276 1.00 0.00 H new ATOM 0 HA GLN A 83 -3.401 -17.229 -8.143 1.00 0.00 H new ATOM 0 HB2 GLN A 83 -3.973 -14.834 -9.411 1.00 0.00 H new ATOM 0 HB3 GLN A 83 -2.346 -15.156 -9.979 1.00 0.00 H new ATOM 0 HG2 GLN A 83 -2.963 -17.095 -11.107 1.00 0.00 H new ATOM 0 HG3 GLN A 83 -4.347 -17.392 -10.073 1.00 0.00 H new ATOM 0 HE21 GLN A 83 -6.129 -17.365 -11.307 1.00 0.00 H new ATOM 0 HE22 GLN A 83 -6.524 -16.121 -12.497 1.00 0.00 H new ATOM 1290 N ASN A 84 -0.806 -16.071 -7.021 1.00 0.00 N ATOM 1291 CA ASN A 84 0.623 -16.212 -6.802 1.00 0.00 C ATOM 1292 C ASN A 84 1.387 -15.194 -7.635 1.00 0.00 C ATOM 1293 O ASN A 84 2.585 -15.340 -7.876 1.00 0.00 O ATOM 1294 CB ASN A 84 1.096 -17.632 -7.133 1.00 0.00 C ATOM 1295 CG ASN A 84 0.157 -18.696 -6.599 1.00 0.00 C ATOM 1296 OD1 ASN A 84 -0.769 -18.400 -5.844 1.00 0.00 O ATOM 1297 ND2 ASN A 84 0.392 -19.943 -6.989 1.00 0.00 N ATOM 0 H ASN A 84 -1.304 -15.619 -6.255 1.00 0.00 H new ATOM 0 HA ASN A 84 0.823 -16.027 -5.746 1.00 0.00 H new ATOM 0 HB2 ASN A 84 1.184 -17.739 -8.214 1.00 0.00 H new ATOM 0 HB3 ASN A 84 2.091 -17.787 -6.715 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -0.207 -20.701 -6.662 1.00 0.00 H new ATOM 0 HD22 ASN A 84 1.171 -20.143 -7.616 1.00 0.00 H new ATOM 1304 N THR A 85 0.680 -14.153 -8.064 1.00 0.00 N ATOM 1305 CA THR A 85 1.281 -13.098 -8.860 1.00 0.00 C ATOM 1306 C THR A 85 2.035 -12.119 -7.967 1.00 0.00 C ATOM 1307 O THR A 85 2.875 -11.355 -8.441 1.00 0.00 O ATOM 1308 CB THR A 85 0.210 -12.359 -9.663 1.00 0.00 C ATOM 1309 OG1 THR A 85 -0.872 -13.221 -9.968 1.00 0.00 O ATOM 1310 CG2 THR A 85 0.726 -11.791 -10.968 1.00 0.00 C ATOM 0 H THR A 85 -0.313 -14.021 -7.871 1.00 0.00 H new ATOM 0 HA THR A 85 1.988 -13.553 -9.554 1.00 0.00 H new ATOM 0 HB THR A 85 -0.110 -11.534 -9.027 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.547 -12.729 -10.480 1.00 0.00 H new ATOM 0 HG21 THR A 85 -0.084 -11.280 -11.488 1.00 0.00 H new ATOM 0 HG22 THR A 85 1.530 -11.084 -10.764 1.00 0.00 H new ATOM 0 HG23 THR A 85 1.104 -12.600 -11.593 1.00 0.00 H new ATOM 1318 N LEU A 86 1.721 -12.150 -6.668 1.00 0.00 N ATOM 1319 CA LEU A 86 2.354 -11.274 -5.680 1.00 0.00 C ATOM 1320 C LEU A 86 3.800 -10.940 -6.047 1.00 0.00 C ATOM 1321 O LEU A 86 4.203 -9.777 -6.010 1.00 0.00 O ATOM 1322 CB LEU A 86 2.312 -11.937 -4.304 1.00 0.00 C ATOM 1323 CG LEU A 86 2.339 -10.976 -3.117 1.00 0.00 C ATOM 1324 CD1 LEU A 86 2.059 -11.726 -1.825 1.00 0.00 C ATOM 1325 CD2 LEU A 86 3.678 -10.258 -3.042 1.00 0.00 C ATOM 0 H LEU A 86 1.023 -12.781 -6.274 1.00 0.00 H new ATOM 0 HA LEU A 86 1.795 -10.338 -5.664 1.00 0.00 H new ATOM 0 HB2 LEU A 86 1.409 -12.544 -4.239 1.00 0.00 H new ATOM 0 HB3 LEU A 86 3.160 -12.617 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 86 1.559 -10.228 -3.258 1.00 0.00 H new ATOM 0 HD11 LEU A 86 2.081 -11.029 -0.987 1.00 0.00 H new ATOM 0 HD12 LEU A 86 1.076 -12.194 -1.882 1.00 0.00 H new ATOM 0 HD13 LEU A 86 2.818 -12.494 -1.678 1.00 0.00 H new ATOM 0 HD21 LEU A 86 3.679 -9.578 -2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 86 4.477 -10.990 -2.923 1.00 0.00 H new ATOM 0 HD23 LEU A 86 3.839 -9.691 -3.959 1.00 0.00 H new ATOM 1337 N GLN A 87 4.577 -11.960 -6.405 1.00 0.00 N ATOM 1338 CA GLN A 87 5.974 -11.754 -6.780 1.00 0.00 C ATOM 1339 C GLN A 87 6.084 -10.692 -7.868 1.00 0.00 C ATOM 1340 O GLN A 87 6.822 -9.718 -7.726 1.00 0.00 O ATOM 1341 CB GLN A 87 6.605 -13.062 -7.266 1.00 0.00 C ATOM 1342 CG GLN A 87 7.937 -12.864 -7.975 1.00 0.00 C ATOM 1343 CD GLN A 87 8.665 -14.169 -8.228 1.00 0.00 C ATOM 1344 OE1 GLN A 87 9.646 -14.487 -7.556 1.00 0.00 O ATOM 1345 NE2 GLN A 87 8.186 -14.933 -9.203 1.00 0.00 N ATOM 0 H GLN A 87 4.266 -12.931 -6.443 1.00 0.00 H new ATOM 0 HA GLN A 87 6.513 -11.413 -5.896 1.00 0.00 H new ATOM 0 HB2 GLN A 87 6.751 -13.725 -6.413 1.00 0.00 H new ATOM 0 HB3 GLN A 87 5.912 -13.561 -7.943 1.00 0.00 H new ATOM 0 HG2 GLN A 87 7.766 -12.358 -8.925 1.00 0.00 H new ATOM 0 HG3 GLN A 87 8.570 -12.210 -7.375 1.00 0.00 H new ATOM 0 HE21 GLN A 87 7.370 -14.630 -9.735 1.00 0.00 H new ATOM 0 HE22 GLN A 87 8.634 -15.823 -9.420 1.00 0.00 H new ATOM 1354 N GLU A 88 5.334 -10.882 -8.950 1.00 0.00 N ATOM 1355 CA GLU A 88 5.335 -9.937 -10.063 1.00 0.00 C ATOM 1356 C GLU A 88 5.185 -8.501 -9.563 1.00 0.00 C ATOM 1357 O GLU A 88 5.582 -7.554 -10.240 1.00 0.00 O ATOM 1358 CB GLU A 88 4.205 -10.272 -11.041 1.00 0.00 C ATOM 1359 CG GLU A 88 4.682 -10.969 -12.305 1.00 0.00 C ATOM 1360 CD GLU A 88 4.908 -10.004 -13.452 1.00 0.00 C ATOM 1361 OE1 GLU A 88 4.016 -9.169 -13.710 1.00 0.00 O ATOM 1362 OE2 GLU A 88 5.977 -10.083 -14.092 1.00 0.00 O ATOM 0 H GLU A 88 4.717 -11.683 -9.080 1.00 0.00 H new ATOM 0 HA GLU A 88 6.292 -10.021 -10.579 1.00 0.00 H new ATOM 0 HB2 GLU A 88 3.477 -10.908 -10.538 1.00 0.00 H new ATOM 0 HB3 GLU A 88 3.689 -9.352 -11.316 1.00 0.00 H new ATOM 0 HG2 GLU A 88 5.610 -11.501 -12.094 1.00 0.00 H new ATOM 0 HG3 GLU A 88 3.947 -11.716 -12.603 1.00 0.00 H new ATOM 1369 N PHE A 89 4.605 -8.351 -8.375 1.00 0.00 N ATOM 1370 CA PHE A 89 4.399 -7.039 -7.780 1.00 0.00 C ATOM 1371 C PHE A 89 5.469 -6.732 -6.733 1.00 0.00 C ATOM 1372 O PHE A 89 5.735 -5.570 -6.429 1.00 0.00 O ATOM 1373 CB PHE A 89 3.009 -6.975 -7.143 1.00 0.00 C ATOM 1374 CG PHE A 89 2.614 -5.606 -6.671 1.00 0.00 C ATOM 1375 CD1 PHE A 89 3.095 -5.106 -5.472 1.00 0.00 C ATOM 1376 CD2 PHE A 89 1.756 -4.822 -7.424 1.00 0.00 C ATOM 1377 CE1 PHE A 89 2.728 -3.848 -5.033 1.00 0.00 C ATOM 1378 CE2 PHE A 89 1.384 -3.564 -6.990 1.00 0.00 C ATOM 1379 CZ PHE A 89 1.871 -3.076 -5.793 1.00 0.00 C ATOM 0 H PHE A 89 4.269 -9.127 -7.805 1.00 0.00 H new ATOM 0 HA PHE A 89 4.475 -6.290 -8.568 1.00 0.00 H new ATOM 0 HB2 PHE A 89 2.273 -7.325 -7.867 1.00 0.00 H new ATOM 0 HB3 PHE A 89 2.976 -7.663 -6.298 1.00 0.00 H new ATOM 0 HD1 PHE A 89 3.764 -5.706 -4.873 1.00 0.00 H new ATOM 0 HD2 PHE A 89 1.373 -5.198 -8.361 1.00 0.00 H new ATOM 0 HE1 PHE A 89 3.111 -3.469 -4.097 1.00 0.00 H new ATOM 0 HE2 PHE A 89 0.713 -2.963 -7.586 1.00 0.00 H new ATOM 0 HZ PHE A 89 1.582 -2.093 -5.452 1.00 0.00 H new ATOM 1389 N LEU A 90 6.071 -7.780 -6.176 1.00 0.00 N ATOM 1390 CA LEU A 90 7.102 -7.617 -5.155 1.00 0.00 C ATOM 1391 C LEU A 90 8.506 -7.767 -5.739 1.00 0.00 C ATOM 1392 O LEU A 90 9.266 -6.802 -5.801 1.00 0.00 O ATOM 1393 CB LEU A 90 6.894 -8.635 -4.032 1.00 0.00 C ATOM 1394 CG LEU A 90 6.322 -8.060 -2.735 1.00 0.00 C ATOM 1395 CD1 LEU A 90 4.943 -7.461 -2.976 1.00 0.00 C ATOM 1396 CD2 LEU A 90 6.262 -9.135 -1.660 1.00 0.00 C ATOM 0 H LEU A 90 5.863 -8.750 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 90 7.013 -6.607 -4.754 1.00 0.00 H new ATOM 0 HB2 LEU A 90 6.225 -9.417 -4.391 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.850 -9.110 -3.811 1.00 0.00 H new ATOM 0 HG LEU A 90 6.982 -7.264 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 90 4.553 -7.057 -2.042 1.00 0.00 H new ATOM 0 HD12 LEU A 90 5.017 -6.662 -3.713 1.00 0.00 H new ATOM 0 HD13 LEU A 90 4.270 -8.234 -3.346 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.853 -8.710 -0.743 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.624 -9.952 -1.998 1.00 0.00 H new ATOM 0 HD23 LEU A 90 7.266 -9.514 -1.468 1.00 0.00 H new ATOM 1408 N LYS A 91 8.849 -8.986 -6.149 1.00 0.00 N ATOM 1409 CA LYS A 91 10.170 -9.263 -6.712 1.00 0.00 C ATOM 1410 C LYS A 91 10.159 -9.195 -8.239 1.00 0.00 C ATOM 1411 O LYS A 91 11.201 -9.334 -8.880 1.00 0.00 O ATOM 1412 CB LYS A 91 10.667 -10.640 -6.261 1.00 0.00 C ATOM 1413 CG LYS A 91 10.269 -11.003 -4.839 1.00 0.00 C ATOM 1414 CD LYS A 91 11.156 -10.312 -3.818 1.00 0.00 C ATOM 1415 CE LYS A 91 12.256 -11.235 -3.320 1.00 0.00 C ATOM 1416 NZ LYS A 91 11.724 -12.309 -2.436 1.00 0.00 N ATOM 0 H LYS A 91 8.232 -9.797 -6.102 1.00 0.00 H new ATOM 0 HA LYS A 91 10.848 -8.494 -6.342 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.277 -11.397 -6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 91 11.754 -10.668 -6.342 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.230 -10.722 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.334 -12.083 -4.707 1.00 0.00 H new ATOM 0 HD2 LYS A 91 11.600 -9.422 -4.264 1.00 0.00 H new ATOM 0 HD3 LYS A 91 10.551 -9.978 -2.975 1.00 0.00 H new ATOM 0 HE2 LYS A 91 12.765 -11.686 -4.172 1.00 0.00 H new ATOM 0 HE3 LYS A 91 13.000 -10.653 -2.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 12.507 -12.743 -1.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 11.039 -11.901 -1.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 11.254 -13.034 -3.015 1.00 0.00 H new ATOM 1430 N LEU A 92 8.981 -8.979 -8.820 1.00 0.00 N ATOM 1431 CA LEU A 92 8.845 -8.889 -10.271 1.00 0.00 C ATOM 1432 C LEU A 92 9.415 -10.126 -10.966 1.00 0.00 C ATOM 1433 O LEU A 92 9.743 -10.084 -12.152 1.00 0.00 O ATOM 1434 CB LEU A 92 9.541 -7.629 -10.793 1.00 0.00 C ATOM 1435 CG LEU A 92 9.301 -6.357 -9.971 1.00 0.00 C ATOM 1436 CD1 LEU A 92 7.848 -6.260 -9.528 1.00 0.00 C ATOM 1437 CD2 LEU A 92 10.227 -6.320 -8.766 1.00 0.00 C ATOM 0 H LEU A 92 8.107 -8.863 -8.308 1.00 0.00 H new ATOM 0 HA LEU A 92 7.781 -8.834 -10.500 1.00 0.00 H new ATOM 0 HB2 LEU A 92 10.614 -7.818 -10.834 1.00 0.00 H new ATOM 0 HB3 LEU A 92 9.210 -7.448 -11.816 1.00 0.00 H new ATOM 0 HG LEU A 92 9.520 -5.498 -10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 92 7.705 -5.349 -8.947 1.00 0.00 H new ATOM 0 HD12 LEU A 92 7.201 -6.236 -10.405 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.596 -7.125 -8.914 1.00 0.00 H new ATOM 0 HD21 LEU A 92 10.043 -5.411 -8.194 1.00 0.00 H new ATOM 0 HD22 LEU A 92 10.039 -7.189 -8.136 1.00 0.00 H new ATOM 0 HD23 LEU A 92 11.263 -6.333 -9.103 1.00 0.00 H new ATOM 1449 N ALA A 93 9.527 -11.226 -10.224 1.00 0.00 N ATOM 1450 CA ALA A 93 10.052 -12.474 -10.771 1.00 0.00 C ATOM 1451 C ALA A 93 11.331 -12.241 -11.573 1.00 0.00 C ATOM 1452 O ALA A 93 11.447 -12.681 -12.717 1.00 0.00 O ATOM 1453 CB ALA A 93 8.999 -13.151 -11.637 1.00 0.00 C ATOM 0 H ALA A 93 9.261 -11.278 -9.241 1.00 0.00 H new ATOM 0 HA ALA A 93 10.301 -13.128 -9.935 1.00 0.00 H new ATOM 0 HB1 ALA A 93 9.402 -14.081 -12.039 1.00 0.00 H new ATOM 0 HB2 ALA A 93 8.117 -13.368 -11.034 1.00 0.00 H new ATOM 0 HB3 ALA A 93 8.723 -12.489 -12.458 1.00 0.00 H new ATOM 1459 N LEU A 94 12.288 -11.548 -10.966 1.00 0.00 N ATOM 1460 CA LEU A 94 13.556 -11.260 -11.626 1.00 0.00 C ATOM 1461 C LEU A 94 14.527 -12.427 -11.470 1.00 0.00 C ATOM 1462 O LEU A 94 15.606 -12.280 -10.895 1.00 0.00 O ATOM 1463 CB LEU A 94 14.174 -9.982 -11.055 1.00 0.00 C ATOM 1464 CG LEU A 94 14.910 -9.109 -12.072 1.00 0.00 C ATOM 1465 CD1 LEU A 94 15.545 -7.909 -11.387 1.00 0.00 C ATOM 1466 CD2 LEU A 94 15.964 -9.923 -12.808 1.00 0.00 C ATOM 0 H LEU A 94 12.210 -11.176 -10.020 1.00 0.00 H new ATOM 0 HA LEU A 94 13.361 -11.115 -12.688 1.00 0.00 H new ATOM 0 HB2 LEU A 94 13.384 -9.389 -10.594 1.00 0.00 H new ATOM 0 HB3 LEU A 94 14.870 -10.256 -10.263 1.00 0.00 H new ATOM 0 HG LEU A 94 14.185 -8.744 -12.800 1.00 0.00 H new ATOM 0 HD11 LEU A 94 16.064 -7.300 -12.127 1.00 0.00 H new ATOM 0 HD12 LEU A 94 14.770 -7.313 -10.905 1.00 0.00 H new ATOM 0 HD13 LEU A 94 16.257 -8.253 -10.637 1.00 0.00 H new ATOM 0 HD21 LEU A 94 16.478 -9.286 -13.528 1.00 0.00 H new ATOM 0 HD22 LEU A 94 16.685 -10.317 -12.092 1.00 0.00 H new ATOM 0 HD23 LEU A 94 15.485 -10.750 -13.332 1.00 0.00 H new ATOM 1478 N GLU A 95 14.137 -13.587 -11.988 1.00 0.00 N ATOM 1479 CA GLU A 95 14.971 -14.780 -11.908 1.00 0.00 C ATOM 1480 C GLU A 95 15.250 -15.154 -10.456 1.00 0.00 C ATOM 1481 O GLU A 95 14.519 -14.664 -9.569 1.00 0.00 O ATOM 1482 CB GLU A 95 16.290 -14.557 -12.651 1.00 0.00 C ATOM 1483 CG GLU A 95 16.132 -14.477 -14.160 1.00 0.00 C ATOM 1484 CD GLU A 95 17.341 -13.867 -14.842 1.00 0.00 C ATOM 1485 OE1 GLU A 95 17.779 -12.779 -14.413 1.00 0.00 O ATOM 1486 OE2 GLU A 95 17.851 -14.478 -15.804 1.00 0.00 O ATOM 0 H GLU A 95 13.248 -13.726 -12.468 1.00 0.00 H new ATOM 0 HA GLU A 95 14.431 -15.602 -12.378 1.00 0.00 H new ATOM 0 HB2 GLU A 95 16.748 -13.635 -12.293 1.00 0.00 H new ATOM 0 HB3 GLU A 95 16.976 -15.369 -12.408 1.00 0.00 H new ATOM 0 HG2 GLU A 95 15.962 -15.478 -14.557 1.00 0.00 H new ATOM 0 HG3 GLU A 95 15.248 -13.885 -14.398 1.00 0.00 H new TER 1493 GLU A 95