USER MOD reduce.3.24.130724 H: found=0, std=0, add=577, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 578 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 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0.134 USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 78:sc= 0.0116 USER MOD Single : A 28 THR OG1 : rot 73:sc= 0.357 USER MOD Single : A 31 GLN : amide:sc= -0.755 X(o=-0.76,f=-0.6) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot -149:sc= 0.409 USER MOD Single : A 38 LYS NZ :NH3+ -171:sc= 1.23 (180deg=1.05) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= -0.497 X(o=-0.5,f=-0.013) USER MOD Single : A 62 ASN : amide:sc= 0.528 K(o=0.53,f=0) USER MOD Single : A 69 ASN : amide:sc= -0.871 K(o=-0.87,f=-1.6) USER MOD Single : A 70 GLN : amide:sc= -0.0677 X(o=-0.068,f=-0.037) USER MOD Single : A 74 GLN : amide:sc= 1.16 K(o=1.2,f=0) USER MOD Single : A 75 SER OG : rot 91:sc= 0.707 USER MOD Single : A 79 LYS NZ :NH3+ 174:sc= 0.797 (180deg=0.704) USER MOD Single : A 80 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=-0.089) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 14 13.957 -8.370 -0.775 1.00 0.00 N ATOM 2 CA LEU A 14 15.146 -8.598 -1.604 1.00 0.00 C ATOM 3 C LEU A 14 16.011 -7.352 -1.625 1.00 0.00 C ATOM 4 O LEU A 14 17.160 -7.408 -1.188 1.00 0.00 O ATOM 5 CB LEU A 14 14.788 -9.064 -3.022 1.00 0.00 C ATOM 6 CG LEU A 14 15.400 -10.440 -3.310 1.00 0.00 C ATOM 7 CD1 LEU A 14 15.003 -10.891 -4.711 1.00 0.00 C ATOM 8 CD2 LEU A 14 16.932 -10.449 -3.168 1.00 0.00 C ATOM 0 HA LEU A 14 15.717 -9.410 -1.154 1.00 0.00 H new ATOM 0 HB2 LEU A 14 13.705 -9.112 -3.132 1.00 0.00 H new ATOM 0 HB3 LEU A 14 15.151 -8.339 -3.751 1.00 0.00 H new ATOM 0 HG LEU A 14 15.009 -11.134 -2.566 1.00 0.00 H new ATOM 0 HD11 LEU A 14 15.438 -11.869 -4.915 1.00 0.00 H new ATOM 0 HD12 LEU A 14 13.917 -10.956 -4.778 1.00 0.00 H new ATOM 0 HD13 LEU A 14 15.369 -10.171 -5.443 1.00 0.00 H new ATOM 0 HD21 LEU A 14 17.311 -11.448 -3.383 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.367 -9.737 -3.869 1.00 0.00 H new ATOM 0 HD23 LEU A 14 17.205 -10.169 -2.151 1.00 0.00 H new ATOM 20 N LEU A 15 15.468 -6.233 -2.106 1.00 0.00 N ATOM 21 CA LEU A 15 16.051 -4.904 -1.997 1.00 0.00 C ATOM 22 C LEU A 15 15.036 -4.014 -1.292 1.00 0.00 C ATOM 23 O LEU A 15 13.848 -4.341 -1.216 1.00 0.00 O ATOM 24 CB LEU A 15 16.401 -4.359 -3.392 1.00 0.00 C ATOM 25 CG LEU A 15 17.505 -5.159 -4.106 1.00 0.00 C ATOM 26 CD1 LEU A 15 17.587 -4.737 -5.570 1.00 0.00 C ATOM 27 CD2 LEU A 15 18.871 -4.945 -3.455 1.00 0.00 C ATOM 0 H LEU A 15 14.576 -6.232 -2.600 1.00 0.00 H new ATOM 0 HA LEU A 15 16.978 -4.932 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 15 15.503 -4.363 -4.010 1.00 0.00 H new ATOM 0 HB3 LEU A 15 16.719 -3.321 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 15 17.245 -6.215 -4.028 1.00 0.00 H new ATOM 0 HD11 LEU A 15 18.370 -5.307 -6.070 1.00 0.00 H new ATOM 0 HD12 LEU A 15 16.631 -4.929 -6.058 1.00 0.00 H new ATOM 0 HD13 LEU A 15 17.818 -3.673 -5.630 1.00 0.00 H new ATOM 0 HD21 LEU A 15 19.623 -5.527 -3.988 1.00 0.00 H new ATOM 0 HD22 LEU A 15 19.133 -3.888 -3.497 1.00 0.00 H new ATOM 0 HD23 LEU A 15 18.833 -5.268 -2.415 1.00 0.00 H new ATOM 39 N ASP A 16 15.489 -2.879 -0.773 1.00 0.00 N ATOM 40 CA ASP A 16 14.664 -2.010 0.072 1.00 0.00 C ATOM 41 C ASP A 16 13.686 -1.148 -0.728 1.00 0.00 C ATOM 42 O ASP A 16 12.943 -0.356 -0.153 1.00 0.00 O ATOM 43 CB ASP A 16 15.563 -1.168 0.995 1.00 0.00 C ATOM 44 CG ASP A 16 15.287 -1.473 2.464 1.00 0.00 C ATOM 45 OD1 ASP A 16 15.129 -2.675 2.794 1.00 0.00 O ATOM 46 OD2 ASP A 16 15.373 -0.559 3.305 1.00 0.00 O ATOM 0 H ASP A 16 16.436 -2.532 -0.923 1.00 0.00 H new ATOM 0 HA ASP A 16 14.036 -2.651 0.691 1.00 0.00 H new ATOM 0 HB2 ASP A 16 16.610 -1.370 0.770 1.00 0.00 H new ATOM 0 HB3 ASP A 16 15.394 -0.108 0.803 1.00 0.00 H new ATOM 51 N SER A 17 13.648 -1.337 -2.048 1.00 0.00 N ATOM 52 CA SER A 17 12.836 -0.608 -3.008 1.00 0.00 C ATOM 53 C SER A 17 11.353 -0.647 -2.661 1.00 0.00 C ATOM 54 O SER A 17 10.641 0.317 -2.934 1.00 0.00 O ATOM 55 CB SER A 17 13.081 -1.188 -4.416 1.00 0.00 C ATOM 56 OG SER A 17 13.647 -2.499 -4.383 1.00 0.00 O ATOM 0 H SER A 17 14.222 -2.050 -2.498 1.00 0.00 H new ATOM 0 HA SER A 17 13.133 0.440 -2.979 1.00 0.00 H new ATOM 0 HB2 SER A 17 12.137 -1.218 -4.961 1.00 0.00 H new ATOM 0 HB3 SER A 17 13.746 -0.524 -4.967 1.00 0.00 H new ATOM 0 HG SER A 17 13.781 -2.821 -5.299 1.00 0.00 H new ATOM 62 N TYR A 18 10.893 -1.745 -2.060 1.00 0.00 N ATOM 63 CA TYR A 18 9.518 -1.883 -1.633 1.00 0.00 C ATOM 64 C TYR A 18 9.286 -1.242 -0.268 1.00 0.00 C ATOM 65 O TYR A 18 8.276 -0.564 -0.130 1.00 0.00 O ATOM 66 CB TYR A 18 9.115 -3.355 -1.637 1.00 0.00 C ATOM 67 CG TYR A 18 8.676 -3.872 -2.995 1.00 0.00 C ATOM 68 CD1 TYR A 18 7.417 -3.502 -3.511 1.00 0.00 C ATOM 69 CD2 TYR A 18 9.488 -4.769 -3.713 1.00 0.00 C ATOM 70 CE1 TYR A 18 6.930 -4.086 -4.694 1.00 0.00 C ATOM 71 CE2 TYR A 18 8.995 -5.383 -4.881 1.00 0.00 C ATOM 72 CZ TYR A 18 7.705 -5.059 -5.364 1.00 0.00 C ATOM 73 OH TYR A 18 7.200 -5.719 -6.443 1.00 0.00 O ATOM 0 H TYR A 18 11.472 -2.560 -1.859 1.00 0.00 H new ATOM 0 HA TYR A 18 8.884 -1.350 -2.341 1.00 0.00 H new ATOM 0 HB2 TYR A 18 9.957 -3.952 -1.287 1.00 0.00 H new ATOM 0 HB3 TYR A 18 8.303 -3.501 -0.925 1.00 0.00 H new ATOM 0 HD1 TYR A 18 6.822 -2.764 -2.994 1.00 0.00 H new ATOM 0 HD2 TYR A 18 10.488 -4.987 -3.369 1.00 0.00 H new ATOM 0 HE1 TYR A 18 5.968 -3.792 -5.088 1.00 0.00 H new ATOM 0 HE2 TYR A 18 9.603 -6.103 -5.409 1.00 0.00 H new ATOM 0 HH TYR A 18 7.868 -6.352 -6.781 1.00 0.00 H new ATOM 83 N GLU A 19 10.170 -1.399 0.727 1.00 0.00 N ATOM 84 CA GLU A 19 10.016 -0.745 2.039 1.00 0.00 C ATOM 85 C GLU A 19 9.881 0.768 1.863 1.00 0.00 C ATOM 86 O GLU A 19 9.007 1.383 2.472 1.00 0.00 O ATOM 87 CB GLU A 19 11.203 -1.073 2.970 1.00 0.00 C ATOM 88 CG GLU A 19 10.989 -2.331 3.810 1.00 0.00 C ATOM 89 CD GLU A 19 10.118 -2.127 5.066 1.00 0.00 C ATOM 90 OE1 GLU A 19 9.095 -1.412 5.000 1.00 0.00 O ATOM 91 OE2 GLU A 19 10.426 -2.710 6.127 1.00 0.00 O ATOM 0 H GLU A 19 11.006 -1.978 0.649 1.00 0.00 H new ATOM 0 HA GLU A 19 9.108 -1.130 2.504 1.00 0.00 H new ATOM 0 HB2 GLU A 19 12.103 -1.196 2.368 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.378 -0.227 3.635 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.527 -3.095 3.184 1.00 0.00 H new ATOM 0 HG3 GLU A 19 11.961 -2.716 4.117 1.00 0.00 H new ATOM 98 N ALA A 20 10.670 1.342 0.950 1.00 0.00 N ATOM 99 CA ALA A 20 10.605 2.747 0.572 1.00 0.00 C ATOM 100 C ALA A 20 9.227 3.175 0.037 1.00 0.00 C ATOM 101 O ALA A 20 8.987 4.370 -0.091 1.00 0.00 O ATOM 102 CB ALA A 20 11.704 3.025 -0.462 1.00 0.00 C ATOM 0 H ALA A 20 11.388 0.825 0.443 1.00 0.00 H new ATOM 0 HA ALA A 20 10.764 3.343 1.471 1.00 0.00 H new ATOM 0 HB1 ALA A 20 11.670 4.074 -0.756 1.00 0.00 H new ATOM 0 HB2 ALA A 20 12.678 2.802 -0.027 1.00 0.00 H new ATOM 0 HB3 ALA A 20 11.546 2.397 -1.339 1.00 0.00 H new ATOM 108 N ILE A 21 8.319 2.248 -0.278 1.00 0.00 N ATOM 109 CA ILE A 21 6.961 2.494 -0.761 1.00 0.00 C ATOM 110 C ILE A 21 5.946 2.009 0.284 1.00 0.00 C ATOM 111 O ILE A 21 4.867 2.595 0.406 1.00 0.00 O ATOM 112 CB ILE A 21 6.757 1.775 -2.111 1.00 0.00 C ATOM 113 CG1 ILE A 21 7.782 2.235 -3.178 1.00 0.00 C ATOM 114 CG2 ILE A 21 5.331 1.986 -2.657 1.00 0.00 C ATOM 115 CD1 ILE A 21 7.782 1.394 -4.461 1.00 0.00 C ATOM 0 H ILE A 21 8.524 1.252 -0.198 1.00 0.00 H new ATOM 0 HA ILE A 21 6.809 3.562 -0.914 1.00 0.00 H new ATOM 0 HB ILE A 21 6.912 0.714 -1.913 1.00 0.00 H new ATOM 0 HG12 ILE A 21 7.576 3.273 -3.439 1.00 0.00 H new ATOM 0 HG13 ILE A 21 8.780 2.208 -2.741 1.00 0.00 H new ATOM 0 HG21 ILE A 21 5.225 1.465 -3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 21 4.607 1.591 -1.945 1.00 0.00 H new ATOM 0 HG23 ILE A 21 5.152 3.051 -2.804 1.00 0.00 H new ATOM 0 HD11 ILE A 21 8.528 1.785 -5.152 1.00 0.00 H new ATOM 0 HD12 ILE A 21 8.020 0.359 -4.217 1.00 0.00 H new ATOM 0 HD13 ILE A 21 6.797 1.440 -4.926 1.00 0.00 H new ATOM 127 N LEU A 22 6.259 0.984 1.090 1.00 0.00 N ATOM 128 CA LEU A 22 5.402 0.550 2.193 1.00 0.00 C ATOM 129 C LEU A 22 5.182 1.686 3.194 1.00 0.00 C ATOM 130 O LEU A 22 4.147 1.702 3.870 1.00 0.00 O ATOM 131 CB LEU A 22 5.993 -0.675 2.914 1.00 0.00 C ATOM 132 CG LEU A 22 6.139 -1.952 2.064 1.00 0.00 C ATOM 133 CD1 LEU A 22 6.531 -3.123 2.966 1.00 0.00 C ATOM 134 CD2 LEU A 22 4.882 -2.256 1.237 1.00 0.00 C ATOM 0 H LEU A 22 7.114 0.436 0.992 1.00 0.00 H new ATOM 0 HA LEU A 22 4.441 0.267 1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 22 6.976 -0.405 3.301 1.00 0.00 H new ATOM 0 HB3 LEU A 22 5.364 -0.904 3.774 1.00 0.00 H new ATOM 0 HG LEU A 22 6.933 -1.789 1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.634 -4.026 2.365 1.00 0.00 H new ATOM 0 HD12 LEU A 22 7.479 -2.903 3.456 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.759 -3.275 3.720 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.039 -3.166 0.657 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.032 -2.394 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.681 -1.425 0.561 1.00 0.00 H new ATOM 146 N SER A 23 6.109 2.645 3.226 1.00 0.00 N ATOM 147 CA SER A 23 6.020 3.891 3.977 1.00 0.00 C ATOM 148 C SER A 23 4.912 4.835 3.476 1.00 0.00 C ATOM 149 O SER A 23 4.494 5.732 4.211 1.00 0.00 O ATOM 150 CB SER A 23 7.386 4.583 3.880 1.00 0.00 C ATOM 151 OG SER A 23 8.353 3.840 4.594 1.00 0.00 O ATOM 0 H SER A 23 6.982 2.567 2.703 1.00 0.00 H new ATOM 0 HA SER A 23 5.756 3.652 5.007 1.00 0.00 H new ATOM 0 HB2 SER A 23 7.684 4.675 2.835 1.00 0.00 H new ATOM 0 HB3 SER A 23 7.321 5.594 4.283 1.00 0.00 H new ATOM 0 HG SER A 23 8.632 3.067 4.060 1.00 0.00 H new ATOM 157 N GLY A 24 4.413 4.660 2.253 1.00 0.00 N ATOM 158 CA GLY A 24 3.294 5.420 1.716 1.00 0.00 C ATOM 159 C GLY A 24 1.973 4.707 1.970 1.00 0.00 C ATOM 160 O GLY A 24 0.975 5.352 2.303 1.00 0.00 O ATOM 0 H GLY A 24 4.785 3.972 1.598 1.00 0.00 H new ATOM 0 HA2 GLY A 24 3.270 6.409 2.173 1.00 0.00 H new ATOM 0 HA3 GLY A 24 3.431 5.567 0.645 1.00 0.00 H new ATOM 164 N ILE A 25 1.953 3.378 1.819 1.00 0.00 N ATOM 165 CA ILE A 25 0.738 2.577 1.967 1.00 0.00 C ATOM 166 C ILE A 25 0.135 2.811 3.348 1.00 0.00 C ATOM 167 O ILE A 25 -1.077 2.963 3.453 1.00 0.00 O ATOM 168 CB ILE A 25 1.041 1.084 1.715 1.00 0.00 C ATOM 169 CG1 ILE A 25 1.589 0.940 0.279 1.00 0.00 C ATOM 170 CG2 ILE A 25 -0.211 0.208 1.960 1.00 0.00 C ATOM 171 CD1 ILE A 25 1.608 -0.495 -0.239 1.00 0.00 C ATOM 0 H ILE A 25 2.782 2.829 1.590 1.00 0.00 H new ATOM 0 HA ILE A 25 0.005 2.886 1.222 1.00 0.00 H new ATOM 0 HB ILE A 25 1.793 0.728 2.419 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.984 1.549 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 25 2.602 1.340 0.246 1.00 0.00 H new ATOM 0 HG21 ILE A 25 0.035 -0.838 1.774 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -0.541 0.326 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -1.010 0.518 1.286 1.00 0.00 H new ATOM 0 HD11 ILE A 25 2.006 -0.510 -1.254 1.00 0.00 H new ATOM 0 HD12 ILE A 25 2.237 -1.107 0.407 1.00 0.00 H new ATOM 0 HD13 ILE A 25 0.594 -0.894 -0.241 1.00 0.00 H new ATOM 183 N GLU A 26 0.982 2.860 4.372 1.00 0.00 N ATOM 184 CA GLU A 26 0.619 3.156 5.753 1.00 0.00 C ATOM 185 C GLU A 26 -0.188 4.461 5.846 1.00 0.00 C ATOM 186 O GLU A 26 -1.317 4.460 6.340 1.00 0.00 O ATOM 187 CB GLU A 26 1.922 3.186 6.557 1.00 0.00 C ATOM 188 CG GLU A 26 1.695 3.304 8.061 1.00 0.00 C ATOM 189 CD GLU A 26 3.036 3.480 8.762 1.00 0.00 C ATOM 190 OE1 GLU A 26 3.597 4.592 8.709 1.00 0.00 O ATOM 191 OE2 GLU A 26 3.573 2.497 9.323 1.00 0.00 O ATOM 0 H GLU A 26 1.981 2.687 4.257 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.040 2.393 6.167 1.00 0.00 H new ATOM 0 HB2 GLU A 26 2.490 2.278 6.351 1.00 0.00 H new ATOM 0 HB3 GLU A 26 2.530 4.026 6.220 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.045 4.152 8.277 1.00 0.00 H new ATOM 0 HG3 GLU A 26 1.191 2.413 8.435 1.00 0.00 H new ATOM 198 N GLU A 27 0.351 5.547 5.286 1.00 0.00 N ATOM 199 CA GLU A 27 -0.265 6.872 5.286 1.00 0.00 C ATOM 200 C GLU A 27 -1.605 6.822 4.545 1.00 0.00 C ATOM 201 O GLU A 27 -2.591 7.421 4.978 1.00 0.00 O ATOM 202 CB GLU A 27 0.712 7.863 4.613 1.00 0.00 C ATOM 203 CG GLU A 27 0.774 9.256 5.255 1.00 0.00 C ATOM 204 CD GLU A 27 -0.550 10.025 5.231 1.00 0.00 C ATOM 205 OE1 GLU A 27 -0.966 10.537 4.169 1.00 0.00 O ATOM 206 OE2 GLU A 27 -1.167 10.162 6.309 1.00 0.00 O ATOM 0 H GLU A 27 1.252 5.526 4.808 1.00 0.00 H new ATOM 0 HA GLU A 27 -0.464 7.203 6.305 1.00 0.00 H new ATOM 0 HB2 GLU A 27 1.712 7.429 4.627 1.00 0.00 H new ATOM 0 HB3 GLU A 27 0.428 7.975 3.567 1.00 0.00 H new ATOM 0 HG2 GLU A 27 1.100 9.151 6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 27 1.532 9.846 4.740 1.00 0.00 H new ATOM 213 N THR A 28 -1.671 6.070 3.443 1.00 0.00 N ATOM 214 CA THR A 28 -2.912 5.895 2.707 1.00 0.00 C ATOM 215 C THR A 28 -3.936 5.162 3.576 1.00 0.00 C ATOM 216 O THR A 28 -5.103 5.543 3.610 1.00 0.00 O ATOM 217 CB THR A 28 -2.658 5.132 1.396 1.00 0.00 C ATOM 218 OG1 THR A 28 -1.523 5.656 0.727 1.00 0.00 O ATOM 219 CG2 THR A 28 -3.878 5.232 0.469 1.00 0.00 C ATOM 0 H THR A 28 -0.873 5.574 3.045 1.00 0.00 H new ATOM 0 HA THR A 28 -3.313 6.876 2.452 1.00 0.00 H new ATOM 0 HB THR A 28 -2.479 4.086 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 28 -0.710 5.394 1.208 1.00 0.00 H new ATOM 0 HG21 THR A 28 -3.680 4.686 -0.453 1.00 0.00 H new ATOM 0 HG22 THR A 28 -4.748 4.802 0.965 1.00 0.00 H new ATOM 0 HG23 THR A 28 -4.073 6.279 0.236 1.00 0.00 H new ATOM 227 N PHE A 29 -3.527 4.092 4.252 1.00 0.00 N ATOM 228 CA PHE A 29 -4.427 3.223 4.984 1.00 0.00 C ATOM 229 C PHE A 29 -5.091 3.988 6.121 1.00 0.00 C ATOM 230 O PHE A 29 -6.313 3.931 6.256 1.00 0.00 O ATOM 231 CB PHE A 29 -3.650 1.990 5.493 1.00 0.00 C ATOM 232 CG PHE A 29 -3.665 0.772 4.579 1.00 0.00 C ATOM 233 CD1 PHE A 29 -3.550 0.888 3.179 1.00 0.00 C ATOM 234 CD2 PHE A 29 -3.843 -0.501 5.147 1.00 0.00 C ATOM 235 CE1 PHE A 29 -3.664 -0.253 2.361 1.00 0.00 C ATOM 236 CE2 PHE A 29 -3.959 -1.640 4.334 1.00 0.00 C ATOM 237 CZ PHE A 29 -3.884 -1.516 2.938 1.00 0.00 C ATOM 0 H PHE A 29 -2.549 3.806 4.304 1.00 0.00 H new ATOM 0 HA PHE A 29 -5.221 2.873 4.325 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.613 2.282 5.661 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -4.060 1.700 6.460 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -3.374 1.855 2.732 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -3.891 -0.604 6.221 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -3.582 -0.157 1.288 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -4.106 -2.611 4.783 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.995 -2.387 2.310 1.00 0.00 H new ATOM 247 N ALA A 30 -4.325 4.737 6.913 1.00 0.00 N ATOM 248 CA ALA A 30 -4.895 5.489 8.022 1.00 0.00 C ATOM 249 C ALA A 30 -5.944 6.511 7.575 1.00 0.00 C ATOM 250 O ALA A 30 -6.897 6.756 8.317 1.00 0.00 O ATOM 251 CB ALA A 30 -3.776 6.167 8.793 1.00 0.00 C ATOM 0 H ALA A 30 -3.316 4.837 6.806 1.00 0.00 H new ATOM 0 HA ALA A 30 -5.419 4.783 8.667 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -4.197 6.732 9.625 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.090 5.412 9.177 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -3.237 6.844 8.131 1.00 0.00 H new ATOM 257 N GLN A 31 -5.828 7.071 6.365 1.00 0.00 N ATOM 258 CA GLN A 31 -6.787 8.035 5.838 1.00 0.00 C ATOM 259 C GLN A 31 -8.174 7.425 5.630 1.00 0.00 C ATOM 260 O GLN A 31 -9.145 8.177 5.579 1.00 0.00 O ATOM 261 CB GLN A 31 -6.254 8.645 4.527 1.00 0.00 C ATOM 262 CG GLN A 31 -5.914 10.133 4.737 1.00 0.00 C ATOM 263 CD GLN A 31 -5.172 10.812 3.587 1.00 0.00 C ATOM 264 OE1 GLN A 31 -5.763 11.519 2.773 1.00 0.00 O ATOM 265 NE2 GLN A 31 -3.864 10.641 3.485 1.00 0.00 N ATOM 0 H GLN A 31 -5.061 6.864 5.725 1.00 0.00 H new ATOM 0 HA GLN A 31 -6.902 8.824 6.581 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.367 8.104 4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -7.000 8.542 3.739 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -6.841 10.677 4.918 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -5.310 10.225 5.639 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -3.372 10.055 4.159 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -3.347 11.095 2.732 1.00 0.00 H new ATOM 274 N PHE A 32 -8.284 6.097 5.532 1.00 0.00 N ATOM 275 CA PHE A 32 -9.520 5.348 5.305 1.00 0.00 C ATOM 276 C PHE A 32 -9.772 4.345 6.442 1.00 0.00 C ATOM 277 O PHE A 32 -10.618 3.456 6.305 1.00 0.00 O ATOM 278 CB PHE A 32 -9.438 4.640 3.948 1.00 0.00 C ATOM 279 CG PHE A 32 -9.428 5.525 2.731 1.00 0.00 C ATOM 280 CD1 PHE A 32 -8.200 6.026 2.256 1.00 0.00 C ATOM 281 CD2 PHE A 32 -10.622 5.776 2.026 1.00 0.00 C ATOM 282 CE1 PHE A 32 -8.186 6.815 1.101 1.00 0.00 C ATOM 283 CE2 PHE A 32 -10.592 6.567 0.864 1.00 0.00 C ATOM 284 CZ PHE A 32 -9.376 7.105 0.410 1.00 0.00 C ATOM 0 H PHE A 32 -7.471 5.486 5.613 1.00 0.00 H new ATOM 0 HA PHE A 32 -10.363 6.039 5.294 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -8.534 4.031 3.935 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -10.284 3.957 3.867 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -7.281 5.804 2.777 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -11.556 5.363 2.377 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -7.249 7.207 0.735 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -11.504 6.761 0.320 1.00 0.00 H new ATOM 0 HZ PHE A 32 -9.355 7.738 -0.465 1.00 0.00 H new ATOM 294 N SER A 33 -9.044 4.463 7.560 1.00 0.00 N ATOM 295 CA SER A 33 -9.254 3.651 8.760 1.00 0.00 C ATOM 296 C SER A 33 -8.897 2.171 8.497 1.00 0.00 C ATOM 297 O SER A 33 -9.530 1.270 9.063 1.00 0.00 O ATOM 298 CB SER A 33 -10.711 3.862 9.223 1.00 0.00 C ATOM 299 OG SER A 33 -10.969 3.498 10.562 1.00 0.00 O ATOM 0 H SER A 33 -8.283 5.135 7.655 1.00 0.00 H new ATOM 0 HA SER A 33 -8.589 3.962 9.566 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.970 4.913 9.091 1.00 0.00 H new ATOM 0 HB3 SER A 33 -11.370 3.287 8.572 1.00 0.00 H new ATOM 0 HG SER A 33 -11.912 3.665 10.771 1.00 0.00 H new ATOM 305 N ILE A 34 -7.953 1.893 7.588 1.00 0.00 N ATOM 306 CA ILE A 34 -7.712 0.539 7.083 1.00 0.00 C ATOM 307 C ILE A 34 -6.675 -0.131 7.991 1.00 0.00 C ATOM 308 O ILE A 34 -5.643 0.487 8.272 1.00 0.00 O ATOM 309 CB ILE A 34 -7.207 0.557 5.622 1.00 0.00 C ATOM 310 CG1 ILE A 34 -8.027 1.495 4.723 1.00 0.00 C ATOM 311 CG2 ILE A 34 -7.210 -0.866 5.035 1.00 0.00 C ATOM 312 CD1 ILE A 34 -7.612 1.511 3.248 1.00 0.00 C ATOM 0 H ILE A 34 -7.338 2.599 7.184 1.00 0.00 H new ATOM 0 HA ILE A 34 -8.649 -0.018 7.092 1.00 0.00 H new ATOM 0 HB ILE A 34 -6.188 0.942 5.647 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -9.076 1.207 4.786 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.950 2.509 5.117 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -6.852 -0.836 4.006 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.556 -1.506 5.628 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -8.224 -1.266 5.055 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -8.250 2.203 2.698 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -6.573 1.832 3.166 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -7.717 0.510 2.830 1.00 0.00 H new ATOM 324 N PRO A 35 -6.864 -1.391 8.418 1.00 0.00 N ATOM 325 CA PRO A 35 -5.876 -2.095 9.222 1.00 0.00 C ATOM 326 C PRO A 35 -4.601 -2.373 8.419 1.00 0.00 C ATOM 327 O PRO A 35 -4.561 -3.266 7.560 1.00 0.00 O ATOM 328 CB PRO A 35 -6.566 -3.365 9.718 1.00 0.00 C ATOM 329 CG PRO A 35 -7.645 -3.623 8.667 1.00 0.00 C ATOM 330 CD PRO A 35 -8.048 -2.218 8.226 1.00 0.00 C ATOM 0 HA PRO A 35 -5.540 -1.499 10.070 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -5.868 -4.199 9.789 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -6.997 -3.226 10.709 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -7.262 -4.212 7.834 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -8.490 -4.172 9.084 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -8.366 -2.211 7.183 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -8.885 -1.847 8.817 1.00 0.00 H new ATOM 338 N TYR A 36 -3.548 -1.605 8.697 1.00 0.00 N ATOM 339 CA TYR A 36 -2.202 -1.874 8.214 1.00 0.00 C ATOM 340 C TYR A 36 -1.625 -3.004 9.063 1.00 0.00 C ATOM 341 O TYR A 36 -2.099 -3.273 10.173 1.00 0.00 O ATOM 342 CB TYR A 36 -1.345 -0.607 8.309 1.00 0.00 C ATOM 343 CG TYR A 36 -0.008 -0.682 7.589 1.00 0.00 C ATOM 344 CD1 TYR A 36 1.143 -1.132 8.260 1.00 0.00 C ATOM 345 CD2 TYR A 36 0.093 -0.275 6.247 1.00 0.00 C ATOM 346 CE1 TYR A 36 2.394 -1.141 7.619 1.00 0.00 C ATOM 347 CE2 TYR A 36 1.349 -0.214 5.618 1.00 0.00 C ATOM 348 CZ TYR A 36 2.513 -0.601 6.319 1.00 0.00 C ATOM 349 OH TYR A 36 3.735 -0.439 5.742 1.00 0.00 O ATOM 0 H TYR A 36 -3.612 -0.766 9.274 1.00 0.00 H new ATOM 0 HA TYR A 36 -2.215 -2.173 7.166 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -1.913 0.230 7.903 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -1.163 -0.387 9.361 1.00 0.00 H new ATOM 0 HD1 TYR A 36 1.065 -1.475 9.281 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.798 -0.008 5.697 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.257 -1.557 8.116 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.424 0.129 4.597 1.00 0.00 H new ATOM 0 HH TYR A 36 3.710 0.329 5.134 1.00 0.00 H new ATOM 359 N ASP A 37 -0.614 -3.683 8.535 1.00 0.00 N ATOM 360 CA ASP A 37 0.059 -4.786 9.193 1.00 0.00 C ATOM 361 C ASP A 37 1.321 -5.078 8.401 1.00 0.00 C ATOM 362 O ASP A 37 1.197 -5.534 7.271 1.00 0.00 O ATOM 363 CB ASP A 37 -0.863 -6.010 9.178 1.00 0.00 C ATOM 364 CG ASP A 37 -0.366 -7.091 10.118 1.00 0.00 C ATOM 365 OD1 ASP A 37 0.606 -7.794 9.785 1.00 0.00 O ATOM 366 OD2 ASP A 37 -1.007 -7.284 11.173 1.00 0.00 O ATOM 0 H ASP A 37 -0.233 -3.473 7.613 1.00 0.00 H new ATOM 0 HA ASP A 37 0.305 -4.544 10.227 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -1.871 -5.711 9.466 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -0.925 -6.408 8.165 1.00 0.00 H new ATOM 371 N LYS A 38 2.520 -4.758 8.905 1.00 0.00 N ATOM 372 CA LYS A 38 3.742 -4.870 8.093 1.00 0.00 C ATOM 373 C LYS A 38 3.896 -6.261 7.468 1.00 0.00 C ATOM 374 O LYS A 38 4.369 -6.360 6.339 1.00 0.00 O ATOM 375 CB LYS A 38 4.977 -4.463 8.898 1.00 0.00 C ATOM 376 CG LYS A 38 6.283 -4.475 8.076 1.00 0.00 C ATOM 377 CD LYS A 38 6.316 -3.670 6.764 1.00 0.00 C ATOM 378 CE LYS A 38 6.180 -2.156 6.974 1.00 0.00 C ATOM 379 NZ LYS A 38 7.471 -1.478 7.213 1.00 0.00 N ATOM 0 H LYS A 38 2.671 -4.424 9.857 1.00 0.00 H new ATOM 0 HA LYS A 38 3.646 -4.170 7.263 1.00 0.00 H new ATOM 0 HB2 LYS A 38 4.822 -3.463 9.304 1.00 0.00 H new ATOM 0 HB3 LYS A 38 5.086 -5.138 9.747 1.00 0.00 H new ATOM 0 HG2 LYS A 38 7.084 -4.105 8.716 1.00 0.00 H new ATOM 0 HG3 LYS A 38 6.519 -5.512 7.838 1.00 0.00 H new ATOM 0 HD2 LYS A 38 7.252 -3.875 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.510 -4.013 6.116 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.704 -1.716 6.097 1.00 0.00 H new ATOM 0 HE3 LYS A 38 5.519 -1.972 7.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 7.298 -0.492 7.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 7.987 -1.971 7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 8.038 -1.493 6.341 1.00 0.00 H new ATOM 393 N GLU A 39 3.444 -7.304 8.161 1.00 0.00 N ATOM 394 CA GLU A 39 3.506 -8.681 7.687 1.00 0.00 C ATOM 395 C GLU A 39 2.569 -8.833 6.491 1.00 0.00 C ATOM 396 O GLU A 39 3.020 -9.105 5.378 1.00 0.00 O ATOM 397 CB GLU A 39 3.124 -9.669 8.799 1.00 0.00 C ATOM 398 CG GLU A 39 3.983 -9.544 10.064 1.00 0.00 C ATOM 399 CD GLU A 39 5.056 -10.619 10.085 1.00 0.00 C ATOM 400 OE1 GLU A 39 6.103 -10.417 9.433 1.00 0.00 O ATOM 401 OE2 GLU A 39 4.785 -11.679 10.695 1.00 0.00 O ATOM 0 H GLU A 39 3.018 -7.212 9.083 1.00 0.00 H new ATOM 0 HA GLU A 39 4.529 -8.909 7.386 1.00 0.00 H new ATOM 0 HB2 GLU A 39 2.078 -9.515 9.065 1.00 0.00 H new ATOM 0 HB3 GLU A 39 3.208 -10.685 8.413 1.00 0.00 H new ATOM 0 HG2 GLU A 39 4.446 -8.558 10.100 1.00 0.00 H new ATOM 0 HG3 GLU A 39 3.353 -9.633 10.949 1.00 0.00 H new ATOM 408 N LYS A 40 1.257 -8.620 6.682 1.00 0.00 N ATOM 409 CA LYS A 40 0.304 -8.747 5.583 1.00 0.00 C ATOM 410 C LYS A 40 0.635 -7.799 4.440 1.00 0.00 C ATOM 411 O LYS A 40 0.304 -8.094 3.297 1.00 0.00 O ATOM 412 CB LYS A 40 -1.126 -8.456 6.037 1.00 0.00 C ATOM 413 CG LYS A 40 -1.562 -9.179 7.322 1.00 0.00 C ATOM 414 CD LYS A 40 -3.018 -9.629 7.224 1.00 0.00 C ATOM 415 CE LYS A 40 -3.917 -8.396 7.061 1.00 0.00 C ATOM 416 NZ LYS A 40 -5.297 -8.712 6.641 1.00 0.00 N ATOM 0 H LYS A 40 0.842 -8.363 7.578 1.00 0.00 H new ATOM 0 HA LYS A 40 0.379 -9.779 5.241 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -1.231 -7.382 6.190 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -1.809 -8.732 5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -0.920 -10.043 7.494 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.439 -8.515 8.178 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -3.147 -10.302 6.377 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.301 -10.184 8.118 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.951 -7.856 8.007 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -3.469 -7.726 6.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -5.843 -7.831 6.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -5.277 -9.201 5.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -5.744 -9.326 7.351 1.00 0.00 H new ATOM 430 N VAL A 41 1.232 -6.648 4.726 1.00 0.00 N ATOM 431 CA VAL A 41 1.619 -5.668 3.736 1.00 0.00 C ATOM 432 C VAL A 41 2.749 -6.259 2.884 1.00 0.00 C ATOM 433 O VAL A 41 2.557 -6.408 1.674 1.00 0.00 O ATOM 434 CB VAL A 41 1.962 -4.340 4.450 1.00 0.00 C ATOM 435 CG1 VAL A 41 2.704 -3.343 3.563 1.00 0.00 C ATOM 436 CG2 VAL A 41 0.706 -3.625 4.980 1.00 0.00 C ATOM 0 H VAL A 41 1.463 -6.370 5.680 1.00 0.00 H new ATOM 0 HA VAL A 41 0.811 -5.429 3.045 1.00 0.00 H new ATOM 0 HB VAL A 41 2.611 -4.644 5.271 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.911 -2.436 4.130 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.643 -3.783 3.227 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.088 -3.097 2.698 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.996 -2.698 5.474 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.037 -3.400 4.149 1.00 0.00 H new ATOM 0 HG23 VAL A 41 0.194 -4.271 5.693 1.00 0.00 H new ATOM 446 N ARG A 42 3.903 -6.577 3.490 1.00 0.00 N ATOM 447 CA ARG A 42 5.115 -7.024 2.805 1.00 0.00 C ATOM 448 C ARG A 42 4.888 -8.350 2.087 1.00 0.00 C ATOM 449 O ARG A 42 5.369 -8.519 0.969 1.00 0.00 O ATOM 450 CB ARG A 42 6.302 -7.068 3.798 1.00 0.00 C ATOM 451 CG ARG A 42 6.403 -8.314 4.681 1.00 0.00 C ATOM 452 CD ARG A 42 7.385 -8.117 5.835 1.00 0.00 C ATOM 453 NE ARG A 42 8.785 -7.884 5.431 1.00 0.00 N ATOM 454 CZ ARG A 42 9.824 -7.886 6.279 1.00 0.00 C ATOM 455 NH1 ARG A 42 9.650 -8.109 7.575 1.00 0.00 N ATOM 456 NH2 ARG A 42 11.053 -7.679 5.820 1.00 0.00 N ATOM 0 H ARG A 42 4.017 -6.527 4.502 1.00 0.00 H new ATOM 0 HA ARG A 42 5.372 -6.304 2.028 1.00 0.00 H new ATOM 0 HB2 ARG A 42 7.227 -6.976 3.229 1.00 0.00 H new ATOM 0 HB3 ARG A 42 6.238 -6.194 4.446 1.00 0.00 H new ATOM 0 HG2 ARG A 42 5.418 -8.557 5.080 1.00 0.00 H new ATOM 0 HG3 ARG A 42 6.720 -9.163 4.076 1.00 0.00 H new ATOM 0 HD2 ARG A 42 7.051 -7.271 6.436 1.00 0.00 H new ATOM 0 HD3 ARG A 42 7.350 -8.998 6.476 1.00 0.00 H new ATOM 0 HE ARG A 42 8.975 -7.710 4.444 1.00 0.00 H new ATOM 0 HH11 ARG A 42 8.714 -8.283 7.941 1.00 0.00 H new ATOM 0 HH12 ARG A 42 10.452 -8.107 8.205 1.00 0.00 H new ATOM 0 HH21 ARG A 42 11.205 -7.519 4.824 1.00 0.00 H new ATOM 0 HH22 ARG A 42 11.845 -7.680 6.463 1.00 0.00 H new ATOM 470 N GLU A 43 4.136 -9.271 2.688 1.00 0.00 N ATOM 471 CA GLU A 43 3.842 -10.561 2.083 1.00 0.00 C ATOM 472 C GLU A 43 2.955 -10.368 0.850 1.00 0.00 C ATOM 473 O GLU A 43 3.207 -10.980 -0.187 1.00 0.00 O ATOM 474 CB GLU A 43 3.168 -11.471 3.122 1.00 0.00 C ATOM 475 CG GLU A 43 3.228 -12.953 2.733 1.00 0.00 C ATOM 476 CD GLU A 43 4.648 -13.498 2.895 1.00 0.00 C ATOM 477 OE1 GLU A 43 5.032 -13.788 4.050 1.00 0.00 O ATOM 478 OE2 GLU A 43 5.370 -13.626 1.876 1.00 0.00 O ATOM 0 H GLU A 43 3.715 -9.140 3.608 1.00 0.00 H new ATOM 0 HA GLU A 43 4.767 -11.038 1.758 1.00 0.00 H new ATOM 0 HB2 GLU A 43 3.652 -11.333 4.089 1.00 0.00 H new ATOM 0 HB3 GLU A 43 2.127 -11.172 3.241 1.00 0.00 H new ATOM 0 HG2 GLU A 43 2.540 -13.525 3.355 1.00 0.00 H new ATOM 0 HG3 GLU A 43 2.901 -13.076 1.700 1.00 0.00 H new ATOM 485 N PHE A 44 1.934 -9.507 0.932 1.00 0.00 N ATOM 486 CA PHE A 44 0.985 -9.318 -0.156 1.00 0.00 C ATOM 487 C PHE A 44 1.696 -8.811 -1.406 1.00 0.00 C ATOM 488 O PHE A 44 1.530 -9.388 -2.479 1.00 0.00 O ATOM 489 CB PHE A 44 -0.139 -8.365 0.270 1.00 0.00 C ATOM 490 CG PHE A 44 -1.279 -8.290 -0.715 1.00 0.00 C ATOM 491 CD1 PHE A 44 -1.100 -7.719 -1.986 1.00 0.00 C ATOM 492 CD2 PHE A 44 -2.529 -8.831 -0.367 1.00 0.00 C ATOM 493 CE1 PHE A 44 -2.117 -7.809 -2.934 1.00 0.00 C ATOM 494 CE2 PHE A 44 -3.576 -8.843 -1.301 1.00 0.00 C ATOM 495 CZ PHE A 44 -3.353 -8.381 -2.604 1.00 0.00 C ATOM 0 H PHE A 44 1.748 -8.928 1.751 1.00 0.00 H new ATOM 0 HA PHE A 44 0.535 -10.281 -0.396 1.00 0.00 H new ATOM 0 HB2 PHE A 44 -0.527 -8.685 1.237 1.00 0.00 H new ATOM 0 HB3 PHE A 44 0.276 -7.367 0.408 1.00 0.00 H new ATOM 0 HD1 PHE A 44 -0.177 -7.212 -2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 44 -2.684 -9.238 0.621 1.00 0.00 H new ATOM 0 HE1 PHE A 44 -1.951 -7.434 -3.933 1.00 0.00 H new ATOM 0 HE2 PHE A 44 -4.552 -9.208 -1.016 1.00 0.00 H new ATOM 0 HZ PHE A 44 -4.129 -8.465 -3.350 1.00 0.00 H new ATOM 505 N ILE A 45 2.490 -7.742 -1.299 1.00 0.00 N ATOM 506 CA ILE A 45 3.180 -7.185 -2.466 1.00 0.00 C ATOM 507 C ILE A 45 4.125 -8.216 -3.101 1.00 0.00 C ATOM 508 O ILE A 45 4.312 -8.192 -4.316 1.00 0.00 O ATOM 509 CB ILE A 45 3.910 -5.870 -2.119 1.00 0.00 C ATOM 510 CG1 ILE A 45 4.878 -6.048 -0.932 1.00 0.00 C ATOM 511 CG2 ILE A 45 2.876 -4.766 -1.823 1.00 0.00 C ATOM 512 CD1 ILE A 45 5.983 -5.006 -0.843 1.00 0.00 C ATOM 0 H ILE A 45 2.670 -7.249 -0.425 1.00 0.00 H new ATOM 0 HA ILE A 45 2.423 -6.941 -3.211 1.00 0.00 H new ATOM 0 HB ILE A 45 4.512 -5.577 -2.979 1.00 0.00 H new ATOM 0 HG12 ILE A 45 4.303 -6.026 -0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 45 5.335 -7.035 -1.000 1.00 0.00 H new ATOM 0 HG21 ILE A 45 3.394 -3.839 -1.578 1.00 0.00 H new ATOM 0 HG22 ILE A 45 2.248 -4.610 -2.701 1.00 0.00 H new ATOM 0 HG23 ILE A 45 2.253 -5.067 -0.981 1.00 0.00 H new ATOM 0 HD11 ILE A 45 6.611 -5.215 0.023 1.00 0.00 H new ATOM 0 HD12 ILE A 45 6.589 -5.040 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 45 5.541 -4.015 -0.740 1.00 0.00 H new ATOM 524 N PHE A 46 4.672 -9.140 -2.306 1.00 0.00 N ATOM 525 CA PHE A 46 5.526 -10.233 -2.752 1.00 0.00 C ATOM 526 C PHE A 46 4.726 -11.386 -3.364 1.00 0.00 C ATOM 527 O PHE A 46 5.294 -12.228 -4.062 1.00 0.00 O ATOM 528 CB PHE A 46 6.324 -10.742 -1.540 1.00 0.00 C ATOM 529 CG PHE A 46 7.649 -10.050 -1.267 1.00 0.00 C ATOM 530 CD1 PHE A 46 7.895 -8.720 -1.673 1.00 0.00 C ATOM 531 CD2 PHE A 46 8.668 -10.772 -0.615 1.00 0.00 C ATOM 532 CE1 PHE A 46 9.157 -8.142 -1.471 1.00 0.00 C ATOM 533 CE2 PHE A 46 9.927 -10.190 -0.401 1.00 0.00 C ATOM 534 CZ PHE A 46 10.173 -8.880 -0.841 1.00 0.00 C ATOM 0 H PHE A 46 4.524 -9.143 -1.297 1.00 0.00 H new ATOM 0 HA PHE A 46 6.188 -9.858 -3.532 1.00 0.00 H new ATOM 0 HB2 PHE A 46 5.698 -10.644 -0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 46 6.516 -11.806 -1.679 1.00 0.00 H new ATOM 0 HD1 PHE A 46 7.109 -8.146 -2.141 1.00 0.00 H new ATOM 0 HD2 PHE A 46 8.479 -11.780 -0.278 1.00 0.00 H new ATOM 0 HE1 PHE A 46 9.347 -7.131 -1.799 1.00 0.00 H new ATOM 0 HE2 PHE A 46 10.704 -10.748 0.100 1.00 0.00 H new ATOM 0 HZ PHE A 46 11.147 -8.438 -0.695 1.00 0.00 H new ATOM 544 N LYS A 47 3.426 -11.502 -3.092 1.00 0.00 N ATOM 545 CA LYS A 47 2.578 -12.589 -3.582 1.00 0.00 C ATOM 546 C LYS A 47 1.702 -12.167 -4.757 1.00 0.00 C ATOM 547 O LYS A 47 1.277 -13.028 -5.531 1.00 0.00 O ATOM 548 CB LYS A 47 1.678 -13.073 -2.448 1.00 0.00 C ATOM 549 CG LYS A 47 2.350 -14.105 -1.543 1.00 0.00 C ATOM 550 CD LYS A 47 1.320 -14.875 -0.712 1.00 0.00 C ATOM 551 CE LYS A 47 0.738 -16.017 -1.561 1.00 0.00 C ATOM 552 NZ LYS A 47 -0.313 -16.776 -0.860 1.00 0.00 N ATOM 0 H LYS A 47 2.923 -10.829 -2.513 1.00 0.00 H new ATOM 0 HA LYS A 47 3.239 -13.383 -3.929 1.00 0.00 H new ATOM 0 HB2 LYS A 47 1.371 -12.217 -1.847 1.00 0.00 H new ATOM 0 HB3 LYS A 47 0.772 -13.506 -2.872 1.00 0.00 H new ATOM 0 HG2 LYS A 47 2.925 -14.804 -2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.055 -13.605 -0.879 1.00 0.00 H new ATOM 0 HD2 LYS A 47 1.787 -15.276 0.187 1.00 0.00 H new ATOM 0 HD3 LYS A 47 0.524 -14.206 -0.386 1.00 0.00 H new ATOM 0 HE2 LYS A 47 0.328 -15.605 -2.483 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.541 -16.697 -1.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.668 -17.532 -1.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 0.081 -17.195 0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.095 -16.137 -0.611 1.00 0.00 H new ATOM 566 N TYR A 48 1.413 -10.874 -4.887 1.00 0.00 N ATOM 567 CA TYR A 48 0.583 -10.349 -5.956 1.00 0.00 C ATOM 568 C TYR A 48 1.276 -9.116 -6.531 1.00 0.00 C ATOM 569 O TYR A 48 2.106 -9.263 -7.427 1.00 0.00 O ATOM 570 CB TYR A 48 -0.836 -10.064 -5.412 1.00 0.00 C ATOM 571 CG TYR A 48 -1.484 -11.232 -4.689 1.00 0.00 C ATOM 572 CD1 TYR A 48 -1.205 -11.465 -3.327 1.00 0.00 C ATOM 573 CD2 TYR A 48 -2.309 -12.126 -5.391 1.00 0.00 C ATOM 574 CE1 TYR A 48 -1.644 -12.643 -2.701 1.00 0.00 C ATOM 575 CE2 TYR A 48 -2.788 -13.284 -4.760 1.00 0.00 C ATOM 576 CZ TYR A 48 -2.420 -13.572 -3.429 1.00 0.00 C ATOM 577 OH TYR A 48 -2.780 -14.755 -2.858 1.00 0.00 O ATOM 0 H TYR A 48 1.754 -10.159 -4.245 1.00 0.00 H new ATOM 0 HA TYR A 48 0.460 -11.067 -6.767 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -0.785 -9.215 -4.730 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -1.476 -9.768 -6.243 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -0.649 -10.732 -2.761 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -2.575 -11.922 -6.418 1.00 0.00 H new ATOM 0 HE1 TYR A 48 -1.390 -12.837 -1.669 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -3.441 -13.957 -5.295 1.00 0.00 H new ATOM 0 HH TYR A 48 -3.312 -15.277 -3.494 1.00 0.00 H new ATOM 587 N SER A 49 1.042 -7.928 -5.963 1.00 0.00 N ATOM 588 CA SER A 49 1.568 -6.629 -6.353 1.00 0.00 C ATOM 589 C SER A 49 0.884 -5.590 -5.471 1.00 0.00 C ATOM 590 O SER A 49 0.106 -5.934 -4.577 1.00 0.00 O ATOM 591 CB SER A 49 1.299 -6.368 -7.849 1.00 0.00 C ATOM 592 OG SER A 49 2.138 -5.357 -8.377 1.00 0.00 O ATOM 0 H SER A 49 0.428 -7.852 -5.152 1.00 0.00 H new ATOM 0 HA SER A 49 2.649 -6.583 -6.217 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.449 -7.291 -8.409 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.257 -6.079 -7.984 1.00 0.00 H new ATOM 0 HG SER A 49 1.935 -5.226 -9.327 1.00 0.00 H new ATOM 598 N VAL A 50 1.160 -4.317 -5.731 1.00 0.00 N ATOM 599 CA VAL A 50 0.387 -3.204 -5.215 1.00 0.00 C ATOM 600 C VAL A 50 -1.044 -3.323 -5.727 1.00 0.00 C ATOM 601 O VAL A 50 -1.880 -3.650 -4.899 1.00 0.00 O ATOM 602 CB VAL A 50 1.151 -1.895 -5.489 1.00 0.00 C ATOM 603 CG1 VAL A 50 0.347 -0.633 -5.176 1.00 0.00 C ATOM 604 CG2 VAL A 50 2.407 -1.884 -4.603 1.00 0.00 C ATOM 0 H VAL A 50 1.943 -4.029 -6.318 1.00 0.00 H new ATOM 0 HA VAL A 50 0.274 -3.209 -4.131 1.00 0.00 H new ATOM 0 HB VAL A 50 1.379 -1.876 -6.555 1.00 0.00 H new ATOM 0 HG11 VAL A 50 0.952 0.247 -5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -0.555 -0.615 -5.788 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.070 -0.630 -4.122 1.00 0.00 H new ATOM 0 HG21 VAL A 50 2.968 -0.966 -4.778 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.113 -1.936 -3.555 1.00 0.00 H new ATOM 0 HG23 VAL A 50 3.032 -2.743 -4.847 1.00 0.00 H new ATOM 614 N GLN A 51 -1.357 -3.157 -7.018 1.00 0.00 N ATOM 615 CA GLN A 51 -2.733 -2.976 -7.523 1.00 0.00 C ATOM 616 C GLN A 51 -3.734 -3.955 -6.905 1.00 0.00 C ATOM 617 O GLN A 51 -4.843 -3.566 -6.533 1.00 0.00 O ATOM 618 CB GLN A 51 -2.748 -3.037 -9.059 1.00 0.00 C ATOM 619 CG GLN A 51 -4.155 -2.897 -9.668 1.00 0.00 C ATOM 620 CD GLN A 51 -4.704 -4.251 -10.097 1.00 0.00 C ATOM 621 OE1 GLN A 51 -4.410 -4.741 -11.185 1.00 0.00 O ATOM 622 NE2 GLN A 51 -5.485 -4.900 -9.257 1.00 0.00 N ATOM 0 H GLN A 51 -0.654 -3.144 -7.757 1.00 0.00 H new ATOM 0 HA GLN A 51 -3.064 -1.986 -7.210 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -2.111 -2.245 -9.452 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -2.315 -3.984 -9.381 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -4.827 -2.443 -8.939 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -4.118 -2.227 -10.527 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -5.723 -4.484 -8.357 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -5.852 -5.818 -9.507 1.00 0.00 H new ATOM 631 N ASP A 52 -3.348 -5.220 -6.790 1.00 0.00 N ATOM 632 CA ASP A 52 -4.215 -6.285 -6.300 1.00 0.00 C ATOM 633 C ASP A 52 -4.613 -6.059 -4.837 1.00 0.00 C ATOM 634 O ASP A 52 -5.764 -6.309 -4.483 1.00 0.00 O ATOM 635 CB ASP A 52 -3.506 -7.634 -6.501 1.00 0.00 C ATOM 636 CG ASP A 52 -4.457 -8.729 -6.964 1.00 0.00 C ATOM 637 OD1 ASP A 52 -5.290 -9.207 -6.166 1.00 0.00 O ATOM 638 OD2 ASP A 52 -4.334 -9.110 -8.152 1.00 0.00 O ATOM 0 H ASP A 52 -2.411 -5.539 -7.038 1.00 0.00 H new ATOM 0 HA ASP A 52 -5.145 -6.285 -6.869 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -2.708 -7.516 -7.234 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -3.036 -7.937 -5.565 1.00 0.00 H new ATOM 643 N LEU A 53 -3.728 -5.492 -3.996 1.00 0.00 N ATOM 644 CA LEU A 53 -4.014 -5.189 -2.600 1.00 0.00 C ATOM 645 C LEU A 53 -5.176 -4.237 -2.579 1.00 0.00 C ATOM 646 O LEU A 53 -6.130 -4.462 -1.845 1.00 0.00 O ATOM 647 CB LEU A 53 -2.801 -4.540 -1.894 1.00 0.00 C ATOM 648 CG LEU A 53 -3.140 -3.935 -0.518 1.00 0.00 C ATOM 649 CD1 LEU A 53 -3.189 -5.044 0.534 1.00 0.00 C ATOM 650 CD2 LEU A 53 -2.145 -2.812 -0.206 1.00 0.00 C ATOM 0 H LEU A 53 -2.784 -5.232 -4.281 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.240 -6.113 -2.067 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -2.020 -5.290 -1.770 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.393 -3.758 -2.535 1.00 0.00 H new ATOM 0 HG LEU A 53 -4.130 -3.480 -0.516 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -3.429 -4.613 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -3.954 -5.771 0.261 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.219 -5.539 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.379 -2.379 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.133 -3.217 -0.189 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.215 -2.041 -0.973 1.00 0.00 H new ATOM 662 N LEU A 54 -5.060 -3.136 -3.320 1.00 0.00 N ATOM 663 CA LEU A 54 -5.988 -2.051 -3.167 1.00 0.00 C ATOM 664 C LEU A 54 -7.368 -2.521 -3.601 1.00 0.00 C ATOM 665 O LEU A 54 -8.339 -2.138 -2.962 1.00 0.00 O ATOM 666 CB LEU A 54 -5.590 -0.838 -3.988 1.00 0.00 C ATOM 667 CG LEU A 54 -4.179 -0.292 -3.738 1.00 0.00 C ATOM 668 CD1 LEU A 54 -3.103 -1.139 -4.336 1.00 0.00 C ATOM 669 CD2 LEU A 54 -4.103 1.079 -4.392 1.00 0.00 C ATOM 0 H LEU A 54 -4.335 -2.986 -4.022 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.989 -1.753 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.678 -1.094 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.307 -0.040 -3.793 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.016 -0.269 -2.660 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.130 -0.696 -4.122 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.148 -2.140 -3.908 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.245 -1.199 -5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -3.111 1.502 -4.236 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.292 0.983 -5.461 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.851 1.736 -3.949 1.00 0.00 H new ATOM 681 N VAL A 55 -7.434 -3.373 -4.632 1.00 0.00 N ATOM 682 CA VAL A 55 -8.644 -4.072 -5.031 1.00 0.00 C ATOM 683 C VAL A 55 -9.173 -4.901 -3.853 1.00 0.00 C ATOM 684 O VAL A 55 -10.312 -4.679 -3.454 1.00 0.00 O ATOM 685 CB VAL A 55 -8.404 -4.878 -6.322 1.00 0.00 C ATOM 686 CG1 VAL A 55 -9.596 -5.783 -6.662 1.00 0.00 C ATOM 687 CG2 VAL A 55 -8.150 -3.927 -7.508 1.00 0.00 C ATOM 0 H VAL A 55 -6.629 -3.594 -5.218 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.431 -3.360 -5.281 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.530 -5.505 -6.148 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.385 -6.333 -7.579 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.763 -6.487 -5.847 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.488 -5.172 -6.802 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -7.982 -4.511 -8.413 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -9.017 -3.281 -7.648 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -7.271 -3.316 -7.302 1.00 0.00 H new ATOM 697 N ARG A 56 -8.385 -5.816 -3.264 1.00 0.00 N ATOM 698 CA ARG A 56 -8.870 -6.660 -2.160 1.00 0.00 C ATOM 699 C ARG A 56 -9.396 -5.817 -1.003 1.00 0.00 C ATOM 700 O ARG A 56 -10.459 -6.116 -0.466 1.00 0.00 O ATOM 701 CB ARG A 56 -7.792 -7.629 -1.630 1.00 0.00 C ATOM 702 CG ARG A 56 -7.186 -8.654 -2.598 1.00 0.00 C ATOM 703 CD ARG A 56 -8.050 -9.105 -3.775 1.00 0.00 C ATOM 704 NE ARG A 56 -9.318 -9.733 -3.365 1.00 0.00 N ATOM 705 CZ ARG A 56 -10.349 -9.912 -4.199 1.00 0.00 C ATOM 706 NH1 ARG A 56 -10.180 -9.729 -5.505 1.00 0.00 N ATOM 707 NH2 ARG A 56 -11.550 -10.233 -3.727 1.00 0.00 N ATOM 0 H ARG A 56 -7.416 -5.989 -3.532 1.00 0.00 H new ATOM 0 HA ARG A 56 -9.683 -7.253 -2.579 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -6.975 -7.029 -1.230 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -8.223 -8.179 -0.793 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -6.263 -8.235 -2.999 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -6.911 -9.539 -2.023 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -8.268 -8.244 -4.407 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -7.483 -9.811 -4.382 1.00 0.00 H new ATOM 0 HE ARG A 56 -9.415 -10.046 -2.399 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -9.267 -9.453 -5.867 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.963 -9.864 -6.144 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -11.690 -10.344 -2.723 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -12.331 -10.368 -4.369 1.00 0.00 H new ATOM 721 N VAL A 57 -8.645 -4.792 -0.613 1.00 0.00 N ATOM 722 CA VAL A 57 -8.968 -3.842 0.439 1.00 0.00 C ATOM 723 C VAL A 57 -10.300 -3.180 0.112 1.00 0.00 C ATOM 724 O VAL A 57 -11.235 -3.242 0.904 1.00 0.00 O ATOM 725 CB VAL A 57 -7.831 -2.809 0.535 1.00 0.00 C ATOM 726 CG1 VAL A 57 -8.156 -1.582 1.391 1.00 0.00 C ATOM 727 CG2 VAL A 57 -6.549 -3.423 1.101 1.00 0.00 C ATOM 0 H VAL A 57 -7.745 -4.593 -1.049 1.00 0.00 H new ATOM 0 HA VAL A 57 -9.063 -4.340 1.404 1.00 0.00 H new ATOM 0 HB VAL A 57 -7.696 -2.486 -0.497 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -7.299 -0.909 1.402 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -9.019 -1.064 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -8.382 -1.898 2.409 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -5.772 -2.660 1.152 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -6.742 -3.811 2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -6.218 -4.235 0.454 1.00 0.00 H new ATOM 737 N ALA A 58 -10.375 -2.496 -1.026 1.00 0.00 N ATOM 738 CA ALA A 58 -11.534 -1.719 -1.420 1.00 0.00 C ATOM 739 C ALA A 58 -12.767 -2.606 -1.506 1.00 0.00 C ATOM 740 O ALA A 58 -13.784 -2.242 -0.926 1.00 0.00 O ATOM 741 CB ALA A 58 -11.231 -1.031 -2.756 1.00 0.00 C ATOM 0 H ALA A 58 -9.617 -2.469 -1.708 1.00 0.00 H new ATOM 0 HA ALA A 58 -11.747 -0.955 -0.672 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -12.094 -0.442 -3.066 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -10.367 -0.376 -2.640 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -11.016 -1.785 -3.513 1.00 0.00 H new ATOM 747 N GLU A 59 -12.666 -3.776 -2.123 1.00 0.00 N ATOM 748 CA GLU A 59 -13.728 -4.763 -2.189 1.00 0.00 C ATOM 749 C GLU A 59 -14.160 -5.237 -0.793 1.00 0.00 C ATOM 750 O GLU A 59 -15.319 -5.603 -0.608 1.00 0.00 O ATOM 751 CB GLU A 59 -13.271 -5.891 -3.117 1.00 0.00 C ATOM 752 CG GLU A 59 -14.269 -7.037 -3.268 1.00 0.00 C ATOM 753 CD GLU A 59 -15.669 -6.673 -3.777 1.00 0.00 C ATOM 754 OE1 GLU A 59 -15.923 -5.537 -4.249 1.00 0.00 O ATOM 755 OE2 GLU A 59 -16.548 -7.554 -3.725 1.00 0.00 O ATOM 0 H GLU A 59 -11.816 -4.070 -2.605 1.00 0.00 H new ATOM 0 HA GLU A 59 -14.632 -4.322 -2.609 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -13.068 -5.472 -4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -12.330 -6.294 -2.741 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -13.841 -7.773 -3.949 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -14.376 -7.524 -2.299 1.00 0.00 H new ATOM 762 N ASP A 60 -13.293 -5.184 0.222 1.00 0.00 N ATOM 763 CA ASP A 60 -13.642 -5.509 1.609 1.00 0.00 C ATOM 764 C ASP A 60 -14.454 -4.404 2.281 1.00 0.00 C ATOM 765 O ASP A 60 -15.282 -4.687 3.146 1.00 0.00 O ATOM 766 CB ASP A 60 -12.381 -5.787 2.433 1.00 0.00 C ATOM 767 CG ASP A 60 -12.561 -6.819 3.545 1.00 0.00 C ATOM 768 OD1 ASP A 60 -13.475 -7.667 3.421 1.00 0.00 O ATOM 769 OD2 ASP A 60 -11.677 -6.868 4.439 1.00 0.00 O ATOM 0 H ASP A 60 -12.317 -4.911 0.103 1.00 0.00 H new ATOM 0 HA ASP A 60 -14.263 -6.404 1.571 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -11.593 -6.129 1.762 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -12.039 -4.852 2.876 1.00 0.00 H new ATOM 774 N ARG A 61 -14.250 -3.142 1.884 1.00 0.00 N ATOM 775 CA ARG A 61 -14.922 -1.944 2.422 1.00 0.00 C ATOM 776 C ARG A 61 -15.901 -1.239 1.473 1.00 0.00 C ATOM 777 O ARG A 61 -16.392 -0.155 1.794 1.00 0.00 O ATOM 778 CB ARG A 61 -13.980 -0.940 3.069 1.00 0.00 C ATOM 779 CG ARG A 61 -12.607 -0.815 2.431 1.00 0.00 C ATOM 780 CD ARG A 61 -11.629 -1.524 3.364 1.00 0.00 C ATOM 781 NE ARG A 61 -11.441 -0.909 4.701 1.00 0.00 N ATOM 782 CZ ARG A 61 -11.514 0.358 5.133 1.00 0.00 C ATOM 783 NH1 ARG A 61 -11.629 1.384 4.309 1.00 0.00 N ATOM 784 NH2 ARG A 61 -11.441 0.614 6.424 1.00 0.00 N ATOM 0 H ARG A 61 -13.583 -2.914 1.147 1.00 0.00 H new ATOM 0 HA ARG A 61 -15.539 -2.378 3.209 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -14.457 0.040 3.054 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -13.850 -1.215 4.116 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -12.597 -1.270 1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -12.332 0.232 2.304 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -11.970 -2.550 3.503 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -10.659 -1.575 2.870 1.00 0.00 H new ATOM 0 HE ARG A 61 -11.212 -1.581 5.434 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -11.665 1.228 3.302 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -11.681 2.333 4.680 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -11.329 -0.150 7.090 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -11.496 1.577 6.757 1.00 0.00 H new ATOM 798 N ASN A 62 -16.193 -1.828 0.316 1.00 0.00 N ATOM 799 CA ASN A 62 -17.064 -1.307 -0.741 1.00 0.00 C ATOM 800 C ASN A 62 -16.496 -0.117 -1.517 1.00 0.00 C ATOM 801 O ASN A 62 -17.235 0.532 -2.261 1.00 0.00 O ATOM 802 CB ASN A 62 -18.453 -0.961 -0.187 1.00 0.00 C ATOM 803 CG ASN A 62 -19.557 -1.528 -1.060 1.00 0.00 C ATOM 804 OD1 ASN A 62 -20.356 -2.361 -0.637 1.00 0.00 O ATOM 805 ND2 ASN A 62 -19.608 -1.130 -2.313 1.00 0.00 N ATOM 0 H ASN A 62 -15.804 -2.739 0.074 1.00 0.00 H new ATOM 0 HA ASN A 62 -17.140 -2.120 -1.463 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -18.550 -1.354 0.825 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -18.560 0.122 -0.121 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -20.314 -1.513 -2.941 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -18.941 -0.438 -2.656 1.00 0.00 H new ATOM 812 N LEU A 63 -15.231 0.231 -1.290 1.00 0.00 N ATOM 813 CA LEU A 63 -14.576 1.392 -1.885 1.00 0.00 C ATOM 814 C LEU A 63 -14.232 1.114 -3.347 1.00 0.00 C ATOM 815 O LEU A 63 -14.486 0.027 -3.864 1.00 0.00 O ATOM 816 CB LEU A 63 -13.301 1.747 -1.111 1.00 0.00 C ATOM 817 CG LEU A 63 -13.512 2.145 0.350 1.00 0.00 C ATOM 818 CD1 LEU A 63 -12.099 2.392 0.915 1.00 0.00 C ATOM 819 CD2 LEU A 63 -14.292 3.455 0.477 1.00 0.00 C ATOM 0 H LEU A 63 -14.619 -0.301 -0.671 1.00 0.00 H new ATOM 0 HA LEU A 63 -15.264 2.236 -1.834 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -12.626 0.892 -1.143 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -12.800 2.567 -1.625 1.00 0.00 H new ATOM 0 HG LEU A 63 -14.072 1.368 0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -12.172 2.682 1.963 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -11.509 1.479 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -11.616 3.189 0.350 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -14.420 3.702 1.531 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -13.742 4.255 -0.019 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -15.270 3.343 0.009 1.00 0.00 H new ATOM 831 N ASP A 64 -13.541 2.062 -3.977 1.00 0.00 N ATOM 832 CA ASP A 64 -12.861 1.851 -5.239 1.00 0.00 C ATOM 833 C ASP A 64 -11.362 2.041 -5.039 1.00 0.00 C ATOM 834 O ASP A 64 -10.941 2.897 -4.254 1.00 0.00 O ATOM 835 CB ASP A 64 -13.387 2.820 -6.296 1.00 0.00 C ATOM 836 CG ASP A 64 -13.319 2.152 -7.668 1.00 0.00 C ATOM 837 OD1 ASP A 64 -12.277 1.540 -7.990 1.00 0.00 O ATOM 838 OD2 ASP A 64 -14.336 2.195 -8.398 1.00 0.00 O ATOM 0 H ASP A 64 -13.440 3.010 -3.614 1.00 0.00 H new ATOM 0 HA ASP A 64 -13.052 0.836 -5.587 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -14.414 3.104 -6.067 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -12.795 3.735 -6.294 1.00 0.00 H new ATOM 843 N VAL A 65 -10.549 1.287 -5.774 1.00 0.00 N ATOM 844 CA VAL A 65 -9.105 1.469 -5.858 1.00 0.00 C ATOM 845 C VAL A 65 -8.775 2.873 -6.367 1.00 0.00 C ATOM 846 O VAL A 65 -7.802 3.477 -5.918 1.00 0.00 O ATOM 847 CB VAL A 65 -8.459 0.332 -6.679 1.00 0.00 C ATOM 848 CG1 VAL A 65 -9.038 0.220 -8.083 1.00 0.00 C ATOM 849 CG2 VAL A 65 -6.947 0.497 -6.843 1.00 0.00 C ATOM 0 H VAL A 65 -10.887 0.511 -6.343 1.00 0.00 H new ATOM 0 HA VAL A 65 -8.666 1.399 -4.863 1.00 0.00 H new ATOM 0 HB VAL A 65 -8.680 -0.565 -6.100 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -8.547 -0.595 -8.615 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.108 0.021 -8.021 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -8.874 1.154 -8.620 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -6.552 -0.333 -7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.737 1.436 -7.356 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -6.473 0.506 -5.861 1.00 0.00 H new ATOM 859 N GLU A 66 -9.617 3.418 -7.239 1.00 0.00 N ATOM 860 CA GLU A 66 -9.477 4.726 -7.846 1.00 0.00 C ATOM 861 C GLU A 66 -9.250 5.800 -6.782 1.00 0.00 C ATOM 862 O GLU A 66 -8.326 6.612 -6.861 1.00 0.00 O ATOM 863 CB GLU A 66 -10.767 4.984 -8.642 1.00 0.00 C ATOM 864 CG GLU A 66 -10.942 4.037 -9.838 1.00 0.00 C ATOM 865 CD GLU A 66 -9.807 4.235 -10.831 1.00 0.00 C ATOM 866 OE1 GLU A 66 -9.713 5.357 -11.385 1.00 0.00 O ATOM 867 OE2 GLU A 66 -8.934 3.347 -10.955 1.00 0.00 O ATOM 0 H GLU A 66 -10.456 2.930 -7.554 1.00 0.00 H new ATOM 0 HA GLU A 66 -8.609 4.762 -8.505 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -11.624 4.879 -7.976 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -10.765 6.014 -9.000 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -10.958 3.003 -9.494 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -11.899 4.226 -10.325 1.00 0.00 H new ATOM 874 N VAL A 67 -10.090 5.799 -5.754 1.00 0.00 N ATOM 875 CA VAL A 67 -10.064 6.838 -4.737 1.00 0.00 C ATOM 876 C VAL A 67 -8.870 6.620 -3.792 1.00 0.00 C ATOM 877 O VAL A 67 -8.273 7.567 -3.276 1.00 0.00 O ATOM 878 CB VAL A 67 -11.426 6.854 -4.022 1.00 0.00 C ATOM 879 CG1 VAL A 67 -11.502 8.072 -3.099 1.00 0.00 C ATOM 880 CG2 VAL A 67 -12.592 6.903 -5.024 1.00 0.00 C ATOM 0 H VAL A 67 -10.802 5.084 -5.604 1.00 0.00 H new ATOM 0 HA VAL A 67 -9.916 7.823 -5.179 1.00 0.00 H new ATOM 0 HB VAL A 67 -11.513 5.934 -3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -12.467 8.084 -2.592 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -10.704 8.018 -2.359 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -11.390 8.982 -3.688 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -13.538 6.913 -4.482 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -12.512 7.805 -5.631 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -12.554 6.026 -5.670 1.00 0.00 H new ATOM 890 N LEU A 68 -8.476 5.364 -3.583 1.00 0.00 N ATOM 891 CA LEU A 68 -7.304 5.022 -2.789 1.00 0.00 C ATOM 892 C LEU A 68 -6.026 5.480 -3.479 1.00 0.00 C ATOM 893 O LEU A 68 -5.098 5.893 -2.789 1.00 0.00 O ATOM 894 CB LEU A 68 -7.256 3.509 -2.526 1.00 0.00 C ATOM 895 CG LEU A 68 -8.423 3.005 -1.655 1.00 0.00 C ATOM 896 CD1 LEU A 68 -8.401 1.478 -1.573 1.00 0.00 C ATOM 897 CD2 LEU A 68 -8.359 3.594 -0.241 1.00 0.00 C ATOM 0 H LEU A 68 -8.966 4.554 -3.963 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.380 5.541 -1.833 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -7.269 2.981 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -6.314 3.262 -2.037 1.00 0.00 H new ATOM 0 HG LEU A 68 -9.351 3.333 -2.124 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -9.231 1.135 -0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -8.497 1.058 -2.574 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -7.460 1.151 -1.131 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.196 3.219 0.348 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -7.422 3.302 0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.413 4.681 -0.297 1.00 0.00 H new ATOM 909 N ASN A 69 -5.958 5.410 -4.809 1.00 0.00 N ATOM 910 CA ASN A 69 -4.801 5.829 -5.600 1.00 0.00 C ATOM 911 C ASN A 69 -4.593 7.329 -5.548 1.00 0.00 C ATOM 912 O ASN A 69 -3.450 7.795 -5.518 1.00 0.00 O ATOM 913 CB ASN A 69 -4.975 5.417 -7.054 1.00 0.00 C ATOM 914 CG ASN A 69 -4.685 3.948 -7.258 1.00 0.00 C ATOM 915 OD1 ASN A 69 -3.840 3.355 -6.595 1.00 0.00 O ATOM 916 ND2 ASN A 69 -5.420 3.343 -8.163 1.00 0.00 N ATOM 0 H ASN A 69 -6.724 5.052 -5.379 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.929 5.338 -5.168 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.994 5.635 -7.374 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -4.310 6.010 -7.682 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -5.298 2.345 -8.335 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.112 3.871 -8.694 1.00 0.00 H new ATOM 923 N GLN A 70 -5.692 8.082 -5.513 1.00 0.00 N ATOM 924 CA GLN A 70 -5.652 9.518 -5.234 1.00 0.00 C ATOM 925 C GLN A 70 -4.869 9.766 -3.941 1.00 0.00 C ATOM 926 O GLN A 70 -3.828 10.421 -3.974 1.00 0.00 O ATOM 927 CB GLN A 70 -7.063 10.135 -5.160 1.00 0.00 C ATOM 928 CG GLN A 70 -7.335 11.133 -6.296 1.00 0.00 C ATOM 929 CD GLN A 70 -7.324 10.519 -7.694 1.00 0.00 C ATOM 930 OE1 GLN A 70 -6.954 11.175 -8.664 1.00 0.00 O ATOM 931 NE2 GLN A 70 -7.775 9.291 -7.874 1.00 0.00 N ATOM 0 H GLN A 70 -6.630 7.717 -5.676 1.00 0.00 H new ATOM 0 HA GLN A 70 -5.143 10.012 -6.061 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -7.806 9.338 -5.197 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -7.184 10.640 -4.202 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.304 11.602 -6.126 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -6.587 11.924 -6.254 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -8.084 8.739 -7.074 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -7.814 8.895 -8.813 1.00 0.00 H new ATOM 940 N VAL A 71 -5.319 9.220 -2.808 1.00 0.00 N ATOM 941 CA VAL A 71 -4.607 9.381 -1.539 1.00 0.00 C ATOM 942 C VAL A 71 -3.179 8.826 -1.619 1.00 0.00 C ATOM 943 O VAL A 71 -2.258 9.394 -1.031 1.00 0.00 O ATOM 944 CB VAL A 71 -5.426 8.764 -0.404 1.00 0.00 C ATOM 945 CG1 VAL A 71 -4.691 8.880 0.929 1.00 0.00 C ATOM 946 CG2 VAL A 71 -6.758 9.520 -0.283 1.00 0.00 C ATOM 0 H VAL A 71 -6.172 8.664 -2.744 1.00 0.00 H new ATOM 0 HA VAL A 71 -4.497 10.444 -1.324 1.00 0.00 H new ATOM 0 HB VAL A 71 -5.589 7.711 -0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -5.296 8.433 1.718 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -3.736 8.358 0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -4.515 9.931 1.157 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -7.350 9.088 0.524 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -6.562 10.570 -0.067 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -7.309 9.439 -1.220 1.00 0.00 H new ATOM 956 N ARG A 72 -2.966 7.750 -2.377 1.00 0.00 N ATOM 957 CA ARG A 72 -1.655 7.134 -2.535 1.00 0.00 C ATOM 958 C ARG A 72 -0.632 8.170 -2.991 1.00 0.00 C ATOM 959 O ARG A 72 0.433 8.279 -2.385 1.00 0.00 O ATOM 960 CB ARG A 72 -1.758 5.936 -3.496 1.00 0.00 C ATOM 961 CG ARG A 72 -0.782 4.835 -3.107 1.00 0.00 C ATOM 962 CD ARG A 72 -0.976 3.559 -3.937 1.00 0.00 C ATOM 963 NE ARG A 72 -0.693 2.351 -3.146 1.00 0.00 N ATOM 964 CZ ARG A 72 -1.509 1.841 -2.215 1.00 0.00 C ATOM 965 NH1 ARG A 72 -2.616 2.485 -1.845 1.00 0.00 N ATOM 966 NH2 ARG A 72 -1.215 0.671 -1.664 1.00 0.00 N ATOM 0 H ARG A 72 -3.705 7.281 -2.901 1.00 0.00 H new ATOM 0 HA ARG A 72 -1.306 6.753 -1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -2.775 5.544 -3.486 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -1.553 6.265 -4.515 1.00 0.00 H new ATOM 0 HG2 ARG A 72 0.238 5.196 -3.235 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -0.907 4.600 -2.050 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -1.999 3.519 -4.310 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -0.320 3.587 -4.807 1.00 0.00 H new ATOM 0 HE ARG A 72 0.188 1.867 -3.319 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -2.852 3.380 -2.273 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -3.227 2.082 -1.134 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -0.374 0.169 -1.950 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -1.829 0.273 -0.954 1.00 0.00 H new ATOM 980 N ALA A 73 -0.980 8.976 -3.995 1.00 0.00 N ATOM 981 CA ALA A 73 -0.088 9.980 -4.553 1.00 0.00 C ATOM 982 C ALA A 73 0.333 11.048 -3.532 1.00 0.00 C ATOM 983 O ALA A 73 1.420 11.611 -3.667 1.00 0.00 O ATOM 984 CB ALA A 73 -0.764 10.623 -5.764 1.00 0.00 C ATOM 0 H ALA A 73 -1.896 8.946 -4.443 1.00 0.00 H new ATOM 0 HA ALA A 73 0.832 9.479 -4.854 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.104 11.378 -6.191 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -0.973 9.859 -6.512 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -1.698 11.091 -5.453 1.00 0.00 H new ATOM 990 N GLN A 74 -0.478 11.328 -2.505 1.00 0.00 N ATOM 991 CA GLN A 74 -0.178 12.343 -1.492 1.00 0.00 C ATOM 992 C GLN A 74 0.900 11.887 -0.499 1.00 0.00 C ATOM 993 O GLN A 74 1.318 12.671 0.353 1.00 0.00 O ATOM 994 CB GLN A 74 -1.431 12.709 -0.680 1.00 0.00 C ATOM 995 CG GLN A 74 -2.770 12.700 -1.418 1.00 0.00 C ATOM 996 CD GLN A 74 -2.897 13.653 -2.598 1.00 0.00 C ATOM 997 OE1 GLN A 74 -2.535 14.826 -2.534 1.00 0.00 O ATOM 998 NE2 GLN A 74 -3.482 13.183 -3.685 1.00 0.00 N ATOM 0 H GLN A 74 -1.367 10.852 -2.354 1.00 0.00 H new ATOM 0 HA GLN A 74 0.187 13.207 -2.048 1.00 0.00 H new ATOM 0 HB2 GLN A 74 -1.503 12.017 0.159 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -1.283 13.704 -0.261 1.00 0.00 H new ATOM 0 HG2 GLN A 74 -2.957 11.687 -1.775 1.00 0.00 H new ATOM 0 HG3 GLN A 74 -3.557 12.936 -0.702 1.00 0.00 H new ATOM 0 HE21 GLN A 74 -3.777 12.207 -3.724 1.00 0.00 H new ATOM 0 HE22 GLN A 74 -3.639 13.796 -4.485 1.00 0.00 H new ATOM 1007 N SER A 75 1.308 10.618 -0.553 1.00 0.00 N ATOM 1008 CA SER A 75 2.277 10.049 0.366 1.00 0.00 C ATOM 1009 C SER A 75 3.646 10.664 0.087 1.00 0.00 C ATOM 1010 O SER A 75 4.249 10.398 -0.951 1.00 0.00 O ATOM 1011 CB SER A 75 2.295 8.534 0.192 1.00 0.00 C ATOM 1012 OG SER A 75 1.001 7.991 0.384 1.00 0.00 O ATOM 0 H SER A 75 0.966 9.954 -1.248 1.00 0.00 H new ATOM 0 HA SER A 75 2.009 10.270 1.399 1.00 0.00 H new ATOM 0 HB2 SER A 75 2.656 8.282 -0.805 1.00 0.00 H new ATOM 0 HB3 SER A 75 2.990 8.090 0.904 1.00 0.00 H new ATOM 0 HG SER A 75 0.533 7.950 -0.476 1.00 0.00 H new ATOM 1018 N LEU A 76 4.132 11.544 0.960 1.00 0.00 N ATOM 1019 CA LEU A 76 5.427 12.180 0.776 1.00 0.00 C ATOM 1020 C LEU A 76 6.557 11.225 1.111 1.00 0.00 C ATOM 1021 O LEU A 76 7.611 11.337 0.481 1.00 0.00 O ATOM 1022 CB LEU A 76 5.545 13.461 1.616 1.00 0.00 C ATOM 1023 CG LEU A 76 4.943 14.680 0.897 1.00 0.00 C ATOM 1024 CD1 LEU A 76 4.867 15.861 1.861 1.00 0.00 C ATOM 1025 CD2 LEU A 76 5.773 15.120 -0.322 1.00 0.00 C ATOM 0 H LEU A 76 3.641 11.832 1.807 1.00 0.00 H new ATOM 0 HA LEU A 76 5.508 12.454 -0.276 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.038 13.317 2.570 1.00 0.00 H new ATOM 0 HB3 LEU A 76 6.595 13.653 1.838 1.00 0.00 H new ATOM 0 HG LEU A 76 3.953 14.380 0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 76 4.440 16.723 1.348 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.238 15.597 2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.868 16.108 2.213 1.00 0.00 H new ATOM 0 HD21 LEU A 76 5.302 15.984 -0.791 1.00 0.00 H new ATOM 0 HD22 LEU A 76 6.780 15.386 0.000 1.00 0.00 H new ATOM 0 HD23 LEU A 76 5.826 14.302 -1.040 1.00 0.00 H new ATOM 1037 N ALA A 77 6.379 10.300 2.061 1.00 0.00 N ATOM 1038 CA ALA A 77 7.486 9.460 2.491 1.00 0.00 C ATOM 1039 C ALA A 77 7.989 8.588 1.341 1.00 0.00 C ATOM 1040 O ALA A 77 9.198 8.443 1.221 1.00 0.00 O ATOM 1041 CB ALA A 77 7.134 8.622 3.719 1.00 0.00 C ATOM 0 H ALA A 77 5.494 10.121 2.535 1.00 0.00 H new ATOM 0 HA ALA A 77 8.297 10.123 2.790 1.00 0.00 H new ATOM 0 HB1 ALA A 77 7.992 8.012 4.001 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.870 9.281 4.546 1.00 0.00 H new ATOM 0 HB3 ALA A 77 6.289 7.974 3.487 1.00 0.00 H new ATOM 1047 N GLU A 78 7.125 8.100 0.437 1.00 0.00 N ATOM 1048 CA GLU A 78 7.607 7.290 -0.689 1.00 0.00 C ATOM 1049 C GLU A 78 8.496 8.098 -1.639 1.00 0.00 C ATOM 1050 O GLU A 78 9.459 7.566 -2.187 1.00 0.00 O ATOM 1051 CB GLU A 78 6.476 6.581 -1.464 1.00 0.00 C ATOM 1052 CG GLU A 78 5.387 7.525 -2.003 1.00 0.00 C ATOM 1053 CD GLU A 78 4.890 7.227 -3.427 1.00 0.00 C ATOM 1054 OE1 GLU A 78 4.826 6.058 -3.874 1.00 0.00 O ATOM 1055 OE2 GLU A 78 4.470 8.182 -4.119 1.00 0.00 O ATOM 0 H GLU A 78 6.116 8.247 0.462 1.00 0.00 H new ATOM 0 HA GLU A 78 8.215 6.505 -0.239 1.00 0.00 H new ATOM 0 HB2 GLU A 78 6.912 6.034 -2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 78 6.010 5.844 -0.810 1.00 0.00 H new ATOM 0 HG2 GLU A 78 4.534 7.490 -1.326 1.00 0.00 H new ATOM 0 HG3 GLU A 78 5.771 8.545 -1.978 1.00 0.00 H new ATOM 1062 N LYS A 79 8.200 9.386 -1.830 1.00 0.00 N ATOM 1063 CA LYS A 79 9.000 10.258 -2.681 1.00 0.00 C ATOM 1064 C LYS A 79 10.288 10.681 -1.982 1.00 0.00 C ATOM 1065 O LYS A 79 11.293 10.908 -2.660 1.00 0.00 O ATOM 1066 CB LYS A 79 8.154 11.472 -3.101 1.00 0.00 C ATOM 1067 CG LYS A 79 7.183 11.123 -4.245 1.00 0.00 C ATOM 1068 CD LYS A 79 5.693 11.227 -3.912 1.00 0.00 C ATOM 1069 CE LYS A 79 5.252 12.644 -3.526 1.00 0.00 C ATOM 1070 NZ LYS A 79 3.850 12.884 -3.920 1.00 0.00 N ATOM 0 H LYS A 79 7.400 9.849 -1.398 1.00 0.00 H new ATOM 0 HA LYS A 79 9.296 9.712 -3.577 1.00 0.00 H new ATOM 0 HB2 LYS A 79 7.589 11.836 -2.243 1.00 0.00 H new ATOM 0 HB3 LYS A 79 8.812 12.282 -3.417 1.00 0.00 H new ATOM 0 HG2 LYS A 79 7.394 11.781 -5.088 1.00 0.00 H new ATOM 0 HG3 LYS A 79 7.392 10.105 -4.575 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.112 10.896 -4.773 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.463 10.547 -3.092 1.00 0.00 H new ATOM 0 HE2 LYS A 79 5.361 12.783 -2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.900 13.375 -4.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 3.542 13.810 -3.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 3.774 12.874 -4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 3.245 12.138 -3.521 1.00 0.00 H new ATOM 1084 N ASN A 80 10.262 10.819 -0.656 1.00 0.00 N ATOM 1085 CA ASN A 80 11.413 11.236 0.128 1.00 0.00 C ATOM 1086 C ASN A 80 12.376 10.060 0.325 1.00 0.00 C ATOM 1087 O ASN A 80 13.587 10.268 0.325 1.00 0.00 O ATOM 1088 CB ASN A 80 10.951 11.810 1.478 1.00 0.00 C ATOM 1089 CG ASN A 80 10.522 13.271 1.412 1.00 0.00 C ATOM 1090 OD1 ASN A 80 11.288 14.187 1.709 1.00 0.00 O ATOM 1091 ND2 ASN A 80 9.287 13.542 1.037 1.00 0.00 N ATOM 0 H ASN A 80 9.429 10.641 -0.095 1.00 0.00 H new ATOM 0 HA ASN A 80 11.947 12.020 -0.409 1.00 0.00 H new ATOM 0 HB2 ASN A 80 10.118 11.213 1.850 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.761 11.711 2.200 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.968 14.510 0.993 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.651 12.784 0.790 1.00 0.00 H new ATOM 1098 N ALA A 81 11.862 8.838 0.488 1.00 0.00 N ATOM 1099 CA ALA A 81 12.641 7.609 0.573 1.00 0.00 C ATOM 1100 C ALA A 81 13.255 7.255 -0.786 1.00 0.00 C ATOM 1101 O ALA A 81 12.928 7.865 -1.808 1.00 0.00 O ATOM 1102 CB ALA A 81 11.730 6.476 1.061 1.00 0.00 C ATOM 0 H ALA A 81 10.858 8.676 0.567 1.00 0.00 H new ATOM 0 HA ALA A 81 13.460 7.751 1.278 1.00 0.00 H new ATOM 0 HB1 ALA A 81 12.303 5.551 1.128 1.00 0.00 H new ATOM 0 HB2 ALA A 81 11.331 6.728 2.044 1.00 0.00 H new ATOM 0 HB3 ALA A 81 10.907 6.343 0.359 1.00 0.00 H new ATOM 1108 N GLN A 82 14.140 6.254 -0.805 1.00 0.00 N ATOM 1109 CA GLN A 82 14.897 5.860 -1.987 1.00 0.00 C ATOM 1110 C GLN A 82 15.322 4.393 -1.913 1.00 0.00 C ATOM 1111 O GLN A 82 15.225 3.764 -0.860 1.00 0.00 O ATOM 1112 CB GLN A 82 16.121 6.784 -2.141 1.00 0.00 C ATOM 1113 CG GLN A 82 17.115 6.607 -0.982 1.00 0.00 C ATOM 1114 CD GLN A 82 18.370 5.829 -1.346 1.00 0.00 C ATOM 1115 OE1 GLN A 82 19.039 6.114 -2.335 1.00 0.00 O ATOM 1116 NE2 GLN A 82 18.730 4.851 -0.533 1.00 0.00 N ATOM 0 H GLN A 82 14.351 5.688 0.017 1.00 0.00 H new ATOM 0 HA GLN A 82 14.258 5.964 -2.864 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.621 6.571 -3.086 1.00 0.00 H new ATOM 0 HB3 GLN A 82 15.791 7.822 -2.182 1.00 0.00 H new ATOM 0 HG2 GLN A 82 17.406 7.591 -0.615 1.00 0.00 H new ATOM 0 HG3 GLN A 82 16.611 6.097 -0.161 1.00 0.00 H new ATOM 0 HE21 GLN A 82 18.160 4.631 0.283 1.00 0.00 H new ATOM 0 HE22 GLN A 82 19.578 4.317 -0.722 1.00 0.00 H new ATOM 1125 N VAL A 83 15.850 3.884 -3.023 1.00 0.00 N ATOM 1126 CA VAL A 83 16.330 2.516 -3.173 1.00 0.00 C ATOM 1127 C VAL A 83 17.818 2.457 -2.815 1.00 0.00 C ATOM 1128 O VAL A 83 18.609 3.312 -3.226 1.00 0.00 O ATOM 1129 CB VAL A 83 16.078 1.997 -4.609 1.00 0.00 C ATOM 1130 CG1 VAL A 83 16.372 0.490 -4.707 1.00 0.00 C ATOM 1131 CG2 VAL A 83 14.630 2.228 -5.074 1.00 0.00 C ATOM 0 H VAL A 83 15.959 4.435 -3.874 1.00 0.00 H new ATOM 0 HA VAL A 83 15.779 1.867 -2.493 1.00 0.00 H new ATOM 0 HB VAL A 83 16.751 2.563 -5.253 1.00 0.00 H new ATOM 0 HG11 VAL A 83 16.188 0.149 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 83 17.414 0.305 -4.445 1.00 0.00 H new ATOM 0 HG13 VAL A 83 15.723 -0.053 -4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 83 14.508 1.846 -6.087 1.00 0.00 H new ATOM 0 HG22 VAL A 83 13.945 1.707 -4.405 1.00 0.00 H new ATOM 0 HG23 VAL A 83 14.409 3.295 -5.060 1.00 0.00 H new ATOM 1141 N VAL A 84 18.197 1.405 -2.089 1.00 0.00 N ATOM 1142 CA VAL A 84 19.569 1.016 -1.789 1.00 0.00 C ATOM 1143 C VAL A 84 20.437 0.965 -3.044 1.00 0.00 C ATOM 1144 O VAL A 84 19.957 0.592 -4.136 1.00 0.00 O ATOM 1145 CB VAL A 84 19.584 -0.301 -0.985 1.00 0.00 C ATOM 1146 CG1 VAL A 84 19.196 -0.014 0.474 1.00 0.00 C ATOM 1147 CG2 VAL A 84 18.636 -1.376 -1.550 1.00 0.00 C ATOM 0 H VAL A 84 17.516 0.769 -1.674 1.00 0.00 H new ATOM 0 HA VAL A 84 20.019 1.785 -1.161 1.00 0.00 H new ATOM 0 HB VAL A 84 20.597 -0.696 -1.056 1.00 0.00 H new ATOM 0 HG11 VAL A 84 19.206 -0.944 1.043 1.00 0.00 H new ATOM 0 HG12 VAL A 84 19.909 0.686 0.909 1.00 0.00 H new ATOM 0 HG13 VAL A 84 18.197 0.420 0.506 1.00 0.00 H new ATOM 0 HG21 VAL A 84 18.698 -2.275 -0.936 1.00 0.00 H new ATOM 0 HG22 VAL A 84 17.613 -1.000 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 84 18.926 -1.615 -2.573 1.00 0.00 H new TER 1157 VAL A 84