USER MOD reduce.3.24.130724 H: found=0, std=0, add=603, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 603 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 52 SER OG : rot 60:sc= 1.57 USER MOD Set 1.2: A 70 THR OG1 : rot -99:sc= -2.12! USER MOD Set 2.1: A 36 THR OG1 : rot 150:sc= -0.012 USER MOD Set 2.2: A 53 THR OG1 : rot -140:sc= 0.00473 USER MOD Set 3.1: A 1 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 4.1: A 5 THR OG1 : rot -159:sc= -1.05 USER MOD Set 4.2: A 21 THR OG1 : rot 1:sc= 0.697! USER MOD Single : A 3 SER OG : rot -84:sc= 0.98 USER MOD Single : A 6 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.09) USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 9 SER OG : rot 119:sc= 0.486 USER MOD Single : A 10 GLN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 12 SER OG : rot -80:sc= -2.08! USER MOD Single : A 14 ASN : amide:sc= -0.316 K(o=-0.32,f=-2.7!) USER MOD Single : A 15 SER OG : rot 135:sc= -3.41! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00151 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.269 K(o=-0.27,f=-2.4!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -130:sc= -5.05! USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 58:sc= 0.408 USER MOD Single : A 38 THR OG1 : rot -63:sc= 1.18 USER MOD Single : A 40 SER OG : rot -70:sc= -4.38! USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 22:sc= 0.2 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0.291 USER MOD Single : A 50 SER OG : rot 75:sc= -0.216 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -90:sc= -3.3! USER MOD Single : A 58 SER OG : rot 20:sc= 1.06 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.765! USER MOD Single : A 77 SER OG : rot -171:sc= -4.44! USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.101 USER MOD Single : A 88 SER OG : rot 140:sc= -1.11 USER MOD Single : A 90 ASN : amide:sc= -5.3! C(o=-5.3!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 44.821 9.064 2.056 1.00 0.00 N ATOM 2 CA ASP A 1 45.868 9.717 2.894 1.00 0.00 C ATOM 3 C ASP A 1 45.602 9.455 4.379 1.00 0.00 C ATOM 4 O ASP A 1 44.629 9.925 4.936 1.00 0.00 O ATOM 5 CB ASP A 1 45.747 11.210 2.585 1.00 0.00 C ATOM 6 CG ASP A 1 47.017 11.933 3.038 1.00 0.00 C ATOM 7 OD1 ASP A 1 48.087 11.537 2.603 1.00 0.00 O ATOM 8 OD2 ASP A 1 46.901 12.869 3.812 1.00 0.00 O ATOM 0 H1 ASP A 1 45.014 9.250 1.051 1.00 0.00 H new ATOM 0 H2 ASP A 1 44.830 8.038 2.226 1.00 0.00 H new ATOM 0 H3 ASP A 1 43.887 9.448 2.306 1.00 0.00 H new ATOM 0 HA ASP A 1 46.865 9.333 2.679 1.00 0.00 H new ATOM 0 HB2 ASP A 1 45.593 11.359 1.516 1.00 0.00 H new ATOM 0 HB3 ASP A 1 44.878 11.628 3.093 1.00 0.00 H new ATOM 15 N GLY A 2 46.459 8.713 5.025 1.00 0.00 N ATOM 16 CA GLY A 2 46.255 8.430 6.473 1.00 0.00 C ATOM 17 C GLY A 2 47.262 9.242 7.289 1.00 0.00 C ATOM 18 O GLY A 2 47.400 10.437 7.109 1.00 0.00 O ATOM 0 H GLY A 2 47.291 8.291 4.613 1.00 0.00 H new ATOM 0 HA2 GLY A 2 45.238 8.688 6.767 1.00 0.00 H new ATOM 0 HA3 GLY A 2 46.383 7.366 6.670 1.00 0.00 H new ATOM 22 N SER A 3 47.972 8.605 8.181 1.00 0.00 N ATOM 23 CA SER A 3 48.975 9.344 9.001 1.00 0.00 C ATOM 24 C SER A 3 49.796 10.276 8.104 1.00 0.00 C ATOM 25 O SER A 3 50.325 11.275 8.545 1.00 0.00 O ATOM 26 CB SER A 3 49.866 8.261 9.607 1.00 0.00 C ATOM 27 OG SER A 3 51.049 8.858 10.119 1.00 0.00 O ATOM 0 H SER A 3 47.901 7.607 8.377 1.00 0.00 H new ATOM 0 HA SER A 3 48.511 9.963 9.769 1.00 0.00 H new ATOM 0 HB2 SER A 3 49.334 7.740 10.403 1.00 0.00 H new ATOM 0 HB3 SER A 3 50.118 7.517 8.852 1.00 0.00 H new ATOM 0 HG SER A 3 51.703 8.961 9.396 1.00 0.00 H new ATOM 33 N CYS A 4 49.902 9.953 6.844 1.00 0.00 N ATOM 34 CA CYS A 4 50.686 10.817 5.913 1.00 0.00 C ATOM 35 C CYS A 4 50.699 10.205 4.509 1.00 0.00 C ATOM 36 O CYS A 4 50.194 10.785 3.568 1.00 0.00 O ATOM 37 CB CYS A 4 52.110 10.891 6.492 1.00 0.00 C ATOM 38 SG CYS A 4 52.559 9.333 7.310 1.00 0.00 S ATOM 0 H CYS A 4 49.480 9.128 6.418 1.00 0.00 H new ATOM 0 HA CYS A 4 50.249 11.812 5.824 1.00 0.00 H new ATOM 0 HB2 CYS A 4 52.821 11.105 5.694 1.00 0.00 H new ATOM 0 HB3 CYS A 4 52.175 11.713 7.205 1.00 0.00 H new ATOM 43 N THR A 5 51.262 9.037 4.357 1.00 0.00 N ATOM 44 CA THR A 5 51.293 8.396 3.012 1.00 0.00 C ATOM 45 C THR A 5 50.609 7.028 3.074 1.00 0.00 C ATOM 46 O THR A 5 50.808 6.185 2.224 1.00 0.00 O ATOM 47 CB THR A 5 52.782 8.253 2.664 1.00 0.00 C ATOM 48 OG1 THR A 5 52.921 8.091 1.259 1.00 0.00 O ATOM 49 CG2 THR A 5 53.376 7.036 3.379 1.00 0.00 C ATOM 0 H THR A 5 51.701 8.500 5.105 1.00 0.00 H new ATOM 0 HA THR A 5 50.765 8.981 2.259 1.00 0.00 H new ATOM 0 HB THR A 5 53.313 9.148 2.988 1.00 0.00 H new ATOM 0 HG1 THR A 5 53.789 7.681 1.061 1.00 0.00 H new ATOM 0 HG21 THR A 5 54.432 6.944 3.125 1.00 0.00 H new ATOM 0 HG22 THR A 5 53.272 7.160 4.457 1.00 0.00 H new ATOM 0 HG23 THR A 5 52.848 6.136 3.065 1.00 0.00 H new ATOM 57 N ASN A 6 49.801 6.805 4.077 1.00 0.00 N ATOM 58 CA ASN A 6 49.102 5.494 4.190 1.00 0.00 C ATOM 59 C ASN A 6 47.844 5.498 3.323 1.00 0.00 C ATOM 60 O ASN A 6 46.761 5.186 3.775 1.00 0.00 O ATOM 61 CB ASN A 6 48.739 5.356 5.671 1.00 0.00 C ATOM 62 CG ASN A 6 48.923 3.900 6.106 1.00 0.00 C ATOM 63 OD1 ASN A 6 48.067 3.335 6.757 1.00 0.00 O ATOM 64 ND2 ASN A 6 50.013 3.267 5.772 1.00 0.00 N ATOM 0 H ASN A 6 49.596 7.473 4.820 1.00 0.00 H new ATOM 0 HA ASN A 6 49.722 4.664 3.851 1.00 0.00 H new ATOM 0 HB2 ASN A 6 49.370 6.010 6.274 1.00 0.00 H new ATOM 0 HB3 ASN A 6 47.708 5.668 5.835 1.00 0.00 H new ATOM 0 HD21 ASN A 6 50.147 2.297 6.057 1.00 0.00 H new ATOM 0 HD22 ASN A 6 50.731 3.742 5.225 1.00 0.00 H new ATOM 71 N THR A 7 47.987 5.845 2.076 1.00 0.00 N ATOM 72 CA THR A 7 46.808 5.868 1.164 1.00 0.00 C ATOM 73 C THR A 7 46.770 4.583 0.334 1.00 0.00 C ATOM 74 O THR A 7 47.381 4.486 -0.712 1.00 0.00 O ATOM 75 CB THR A 7 47.024 7.089 0.266 1.00 0.00 C ATOM 76 OG1 THR A 7 45.893 7.259 -0.576 1.00 0.00 O ATOM 77 CG2 THR A 7 48.273 6.884 -0.594 1.00 0.00 C ATOM 0 H THR A 7 48.872 6.115 1.646 1.00 0.00 H new ATOM 0 HA THR A 7 45.863 5.928 1.703 1.00 0.00 H new ATOM 0 HB THR A 7 47.156 7.975 0.886 1.00 0.00 H new ATOM 0 HG1 THR A 7 46.028 8.041 -1.151 1.00 0.00 H new ATOM 0 HG21 THR A 7 48.423 7.755 -1.231 1.00 0.00 H new ATOM 0 HG22 THR A 7 49.142 6.753 0.051 1.00 0.00 H new ATOM 0 HG23 THR A 7 48.145 5.998 -1.215 1.00 0.00 H new ATOM 85 N ASN A 8 46.070 3.585 0.803 1.00 0.00 N ATOM 86 CA ASN A 8 46.008 2.297 0.052 1.00 0.00 C ATOM 87 C ASN A 8 47.367 1.594 0.115 1.00 0.00 C ATOM 88 O ASN A 8 47.568 0.556 -0.481 1.00 0.00 O ATOM 89 CB ASN A 8 45.674 2.679 -1.390 1.00 0.00 C ATOM 90 CG ASN A 8 44.496 1.835 -1.882 1.00 0.00 C ATOM 91 OD1 ASN A 8 44.513 0.625 -1.771 1.00 0.00 O ATOM 92 ND2 ASN A 8 43.468 2.427 -2.424 1.00 0.00 N ATOM 0 H ASN A 8 45.539 3.606 1.673 1.00 0.00 H new ATOM 0 HA ASN A 8 45.267 1.615 0.468 1.00 0.00 H new ATOM 0 HB2 ASN A 8 45.425 3.739 -1.448 1.00 0.00 H new ATOM 0 HB3 ASN A 8 46.542 2.519 -2.030 1.00 0.00 H new ATOM 0 HD21 ASN A 8 42.677 1.874 -2.755 1.00 0.00 H new ATOM 0 HD22 ASN A 8 43.455 3.443 -2.517 1.00 0.00 H new ATOM 99 N SER A 9 48.299 2.156 0.835 1.00 0.00 N ATOM 100 CA SER A 9 49.642 1.527 0.941 1.00 0.00 C ATOM 101 C SER A 9 49.916 1.139 2.392 1.00 0.00 C ATOM 102 O SER A 9 49.445 1.776 3.313 1.00 0.00 O ATOM 103 CB SER A 9 50.621 2.607 0.481 1.00 0.00 C ATOM 104 OG SER A 9 50.007 3.882 0.613 1.00 0.00 O ATOM 0 H SER A 9 48.186 3.026 1.355 1.00 0.00 H new ATOM 0 HA SER A 9 49.728 0.620 0.342 1.00 0.00 H new ATOM 0 HB2 SER A 9 51.533 2.566 1.077 1.00 0.00 H new ATOM 0 HB3 SER A 9 50.910 2.435 -0.556 1.00 0.00 H new ATOM 0 HG SER A 9 50.526 4.432 1.236 1.00 0.00 H new ATOM 110 N GLN A 10 50.672 0.102 2.608 1.00 0.00 N ATOM 111 CA GLN A 10 50.968 -0.314 4.004 1.00 0.00 C ATOM 112 C GLN A 10 52.421 0.011 4.349 1.00 0.00 C ATOM 113 O GLN A 10 53.301 -0.806 4.189 1.00 0.00 O ATOM 114 CB GLN A 10 50.731 -1.825 4.030 1.00 0.00 C ATOM 115 CG GLN A 10 49.501 -2.135 4.888 1.00 0.00 C ATOM 116 CD GLN A 10 49.516 -3.610 5.292 1.00 0.00 C ATOM 117 OE1 GLN A 10 50.362 -4.037 6.053 1.00 0.00 O ATOM 118 NE2 GLN A 10 48.606 -4.413 4.812 1.00 0.00 N ATOM 0 H GLN A 10 51.097 -0.474 1.881 1.00 0.00 H new ATOM 0 HA GLN A 10 50.344 0.204 4.732 1.00 0.00 H new ATOM 0 HB2 GLN A 10 50.584 -2.198 3.016 1.00 0.00 H new ATOM 0 HB3 GLN A 10 51.606 -2.334 4.433 1.00 0.00 H new ATOM 0 HG2 GLN A 10 49.497 -1.504 5.777 1.00 0.00 H new ATOM 0 HG3 GLN A 10 48.591 -1.909 4.332 1.00 0.00 H new ATOM 0 HE21 GLN A 10 47.896 -4.055 4.173 1.00 0.00 H new ATOM 0 HE22 GLN A 10 48.605 -5.398 5.076 1.00 0.00 H new ATOM 127 N LEU A 11 52.678 1.196 4.828 1.00 0.00 N ATOM 128 CA LEU A 11 54.078 1.568 5.192 1.00 0.00 C ATOM 129 C LEU A 11 54.351 1.171 6.638 1.00 0.00 C ATOM 130 O LEU A 11 55.185 1.749 7.302 1.00 0.00 O ATOM 131 CB LEU A 11 54.135 3.089 5.048 1.00 0.00 C ATOM 132 CG LEU A 11 55.573 3.579 5.235 1.00 0.00 C ATOM 133 CD1 LEU A 11 56.236 3.763 3.869 1.00 0.00 C ATOM 134 CD2 LEU A 11 55.553 4.918 5.974 1.00 0.00 C ATOM 0 H LEU A 11 51.981 1.924 4.984 1.00 0.00 H new ATOM 0 HA LEU A 11 54.818 1.070 4.565 1.00 0.00 H new ATOM 0 HB2 LEU A 11 53.767 3.384 4.065 1.00 0.00 H new ATOM 0 HB3 LEU A 11 53.484 3.557 5.786 1.00 0.00 H new ATOM 0 HG LEU A 11 56.136 2.846 5.812 1.00 0.00 H new ATOM 0 HD11 LEU A 11 57.260 4.112 4.005 1.00 0.00 H new ATOM 0 HD12 LEU A 11 56.245 2.811 3.338 1.00 0.00 H new ATOM 0 HD13 LEU A 11 55.677 4.497 3.289 1.00 0.00 H new ATOM 0 HD21 LEU A 11 56.574 5.273 6.111 1.00 0.00 H new ATOM 0 HD22 LEU A 11 54.990 5.647 5.391 1.00 0.00 H new ATOM 0 HD23 LEU A 11 55.080 4.789 6.948 1.00 0.00 H new ATOM 146 N SER A 12 53.640 0.200 7.139 1.00 0.00 N ATOM 147 CA SER A 12 53.851 -0.213 8.551 1.00 0.00 C ATOM 148 C SER A 12 53.725 1.008 9.460 1.00 0.00 C ATOM 149 O SER A 12 54.620 1.824 9.547 1.00 0.00 O ATOM 150 CB SER A 12 55.269 -0.778 8.606 1.00 0.00 C ATOM 151 OG SER A 12 55.424 -1.525 9.805 1.00 0.00 O ATOM 0 H SER A 12 52.925 -0.323 6.633 1.00 0.00 H new ATOM 0 HA SER A 12 53.119 -0.949 8.883 1.00 0.00 H new ATOM 0 HB2 SER A 12 55.455 -1.413 7.740 1.00 0.00 H new ATOM 0 HB3 SER A 12 55.998 0.031 8.570 1.00 0.00 H new ATOM 0 HG SER A 12 55.592 -0.913 10.552 1.00 0.00 H new ATOM 157 N ALA A 13 52.621 1.141 10.138 1.00 0.00 N ATOM 158 CA ALA A 13 52.442 2.312 11.040 1.00 0.00 C ATOM 159 C ALA A 13 53.730 2.584 11.830 1.00 0.00 C ATOM 160 O ALA A 13 53.961 3.681 12.296 1.00 0.00 O ATOM 161 CB ALA A 13 51.307 1.911 11.982 1.00 0.00 C ATOM 0 H ALA A 13 51.836 0.491 10.107 1.00 0.00 H new ATOM 0 HA ALA A 13 52.215 3.225 10.490 1.00 0.00 H new ATOM 0 HB1 ALA A 13 51.111 2.723 12.682 1.00 0.00 H new ATOM 0 HB2 ALA A 13 50.407 1.708 11.402 1.00 0.00 H new ATOM 0 HB3 ALA A 13 51.592 1.016 12.535 1.00 0.00 H new ATOM 167 N ASN A 14 54.562 1.589 11.996 1.00 0.00 N ATOM 168 CA ASN A 14 55.822 1.788 12.768 1.00 0.00 C ATOM 169 C ASN A 14 56.980 2.234 11.861 1.00 0.00 C ATOM 170 O ASN A 14 58.128 2.189 12.256 1.00 0.00 O ATOM 171 CB ASN A 14 56.125 0.417 13.372 1.00 0.00 C ATOM 172 CG ASN A 14 56.229 0.539 14.892 1.00 0.00 C ATOM 173 OD1 ASN A 14 56.360 1.625 15.420 1.00 0.00 O ATOM 174 ND2 ASN A 14 56.173 -0.540 15.623 1.00 0.00 N ATOM 0 H ASN A 14 54.422 0.647 11.630 1.00 0.00 H new ATOM 0 HA ASN A 14 55.710 2.569 13.520 1.00 0.00 H new ATOM 0 HB2 ASN A 14 55.339 -0.290 13.107 1.00 0.00 H new ATOM 0 HB3 ASN A 14 57.057 0.026 12.964 1.00 0.00 H new ATOM 0 HD21 ASN A 14 56.239 -0.472 16.639 1.00 0.00 H new ATOM 0 HD22 ASN A 14 56.063 -1.452 15.179 1.00 0.00 H new ATOM 181 N SER A 15 56.707 2.668 10.657 1.00 0.00 N ATOM 182 CA SER A 15 57.830 3.110 9.773 1.00 0.00 C ATOM 183 C SER A 15 57.735 4.617 9.513 1.00 0.00 C ATOM 184 O SER A 15 57.030 5.330 10.200 1.00 0.00 O ATOM 185 CB SER A 15 57.665 2.314 8.473 1.00 0.00 C ATOM 186 OG SER A 15 57.436 3.211 7.394 1.00 0.00 O ATOM 0 H SER A 15 55.773 2.735 10.252 1.00 0.00 H new ATOM 0 HA SER A 15 58.805 2.931 10.225 1.00 0.00 H new ATOM 0 HB2 SER A 15 58.558 1.719 8.282 1.00 0.00 H new ATOM 0 HB3 SER A 15 56.832 1.617 8.564 1.00 0.00 H new ATOM 0 HG SER A 15 57.990 2.951 6.629 1.00 0.00 H new ATOM 192 N LYS A 16 58.432 5.108 8.524 1.00 0.00 N ATOM 193 CA LYS A 16 58.368 6.570 8.229 1.00 0.00 C ATOM 194 C LYS A 16 57.726 6.792 6.863 1.00 0.00 C ATOM 195 O LYS A 16 57.866 5.989 5.962 1.00 0.00 O ATOM 196 CB LYS A 16 59.819 7.058 8.226 1.00 0.00 C ATOM 197 CG LYS A 16 59.839 8.580 8.396 1.00 0.00 C ATOM 198 CD LYS A 16 60.558 8.944 9.697 1.00 0.00 C ATOM 199 CE LYS A 16 59.993 10.258 10.240 1.00 0.00 C ATOM 200 NZ LYS A 16 59.685 9.986 11.672 1.00 0.00 N ATOM 0 H LYS A 16 59.040 4.565 7.911 1.00 0.00 H new ATOM 0 HA LYS A 16 57.770 7.110 8.963 1.00 0.00 H new ATOM 0 HB2 LYS A 16 60.377 6.583 9.033 1.00 0.00 H new ATOM 0 HB3 LYS A 16 60.308 6.778 7.293 1.00 0.00 H new ATOM 0 HG2 LYS A 16 60.343 9.044 7.548 1.00 0.00 H new ATOM 0 HG3 LYS A 16 58.820 8.967 8.411 1.00 0.00 H new ATOM 0 HD2 LYS A 16 60.429 8.149 10.431 1.00 0.00 H new ATOM 0 HD3 LYS A 16 61.629 9.042 9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 16 60.714 11.069 10.139 1.00 0.00 H new ATOM 0 HE3 LYS A 16 59.098 10.558 9.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 59.293 10.843 12.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 58.990 9.215 11.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 60.556 9.710 12.168 1.00 0.00 H new ATOM 214 N CYS A 17 57.018 7.871 6.704 1.00 0.00 N ATOM 215 CA CYS A 17 56.354 8.138 5.398 1.00 0.00 C ATOM 216 C CYS A 17 56.798 9.487 4.831 1.00 0.00 C ATOM 217 O CYS A 17 56.043 10.438 4.817 1.00 0.00 O ATOM 218 CB CYS A 17 54.859 8.171 5.719 1.00 0.00 C ATOM 219 SG CYS A 17 54.569 9.245 7.150 1.00 0.00 S ATOM 0 H CYS A 17 56.869 8.581 7.421 1.00 0.00 H new ATOM 0 HA CYS A 17 56.605 7.384 4.652 1.00 0.00 H new ATOM 0 HB2 CYS A 17 54.300 8.536 4.858 1.00 0.00 H new ATOM 0 HB3 CYS A 17 54.499 7.164 5.929 1.00 0.00 H new ATOM 224 N GLU A 18 58.007 9.581 4.353 1.00 0.00 N ATOM 225 CA GLU A 18 58.466 10.883 3.782 1.00 0.00 C ATOM 226 C GLU A 18 58.024 10.994 2.319 1.00 0.00 C ATOM 227 O GLU A 18 58.093 10.041 1.568 1.00 0.00 O ATOM 228 CB GLU A 18 59.989 10.857 3.890 1.00 0.00 C ATOM 229 CG GLU A 18 60.486 12.186 4.466 1.00 0.00 C ATOM 230 CD GLU A 18 60.582 12.075 5.989 1.00 0.00 C ATOM 231 OE1 GLU A 18 60.026 11.134 6.529 1.00 0.00 O ATOM 232 OE2 GLU A 18 61.213 12.931 6.587 1.00 0.00 O ATOM 0 H GLU A 18 58.691 8.825 4.331 1.00 0.00 H new ATOM 0 HA GLU A 18 58.045 11.739 4.309 1.00 0.00 H new ATOM 0 HB2 GLU A 18 60.304 10.032 4.528 1.00 0.00 H new ATOM 0 HB3 GLU A 18 60.430 10.687 2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 18 61.461 12.435 4.046 1.00 0.00 H new ATOM 0 HG3 GLU A 18 59.805 12.992 4.191 1.00 0.00 H new ATOM 239 N LYS A 19 57.561 12.146 1.910 1.00 0.00 N ATOM 240 CA LYS A 19 57.104 12.315 0.496 1.00 0.00 C ATOM 241 C LYS A 19 55.798 11.544 0.271 1.00 0.00 C ATOM 242 O LYS A 19 55.208 11.023 1.196 1.00 0.00 O ATOM 243 CB LYS A 19 58.230 11.735 -0.363 1.00 0.00 C ATOM 244 CG LYS A 19 58.443 12.619 -1.593 1.00 0.00 C ATOM 245 CD LYS A 19 59.545 12.020 -2.468 1.00 0.00 C ATOM 246 CE LYS A 19 59.001 11.770 -3.876 1.00 0.00 C ATOM 247 NZ LYS A 19 60.175 11.938 -4.777 1.00 0.00 N ATOM 0 H LYS A 19 57.479 12.979 2.493 1.00 0.00 H new ATOM 0 HA LYS A 19 56.905 13.357 0.247 1.00 0.00 H new ATOM 0 HB2 LYS A 19 59.150 11.675 0.218 1.00 0.00 H new ATOM 0 HB3 LYS A 19 57.980 10.720 -0.671 1.00 0.00 H new ATOM 0 HG2 LYS A 19 57.516 12.699 -2.161 1.00 0.00 H new ATOM 0 HG3 LYS A 19 58.717 13.628 -1.285 1.00 0.00 H new ATOM 0 HD2 LYS A 19 60.398 12.697 -2.511 1.00 0.00 H new ATOM 0 HD3 LYS A 19 59.901 11.086 -2.033 1.00 0.00 H new ATOM 0 HE2 LYS A 19 58.576 10.770 -3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 19 58.208 12.476 -4.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 59.881 11.782 -5.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 60.554 12.901 -4.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 60.910 11.248 -4.521 1.00 0.00 H new ATOM 261 N SER A 20 55.340 11.472 -0.949 1.00 0.00 N ATOM 262 CA SER A 20 54.068 10.739 -1.227 1.00 0.00 C ATOM 263 C SER A 20 54.362 9.286 -1.607 1.00 0.00 C ATOM 264 O SER A 20 55.502 8.878 -1.712 1.00 0.00 O ATOM 265 CB SER A 20 53.434 11.486 -2.399 1.00 0.00 C ATOM 266 OG SER A 20 53.731 12.872 -2.287 1.00 0.00 O ATOM 0 H SER A 20 55.789 11.888 -1.765 1.00 0.00 H new ATOM 0 HA SER A 20 53.410 10.707 -0.359 1.00 0.00 H new ATOM 0 HB2 SER A 20 53.815 11.096 -3.343 1.00 0.00 H new ATOM 0 HB3 SER A 20 52.355 11.332 -2.402 1.00 0.00 H new ATOM 0 HG SER A 20 53.327 13.355 -3.038 1.00 0.00 H new ATOM 272 N THR A 21 53.339 8.499 -1.811 1.00 0.00 N ATOM 273 CA THR A 21 53.558 7.071 -2.182 1.00 0.00 C ATOM 274 C THR A 21 52.374 6.553 -3.006 1.00 0.00 C ATOM 275 O THR A 21 51.253 6.998 -2.849 1.00 0.00 O ATOM 276 CB THR A 21 53.658 6.326 -0.848 1.00 0.00 C ATOM 277 OG1 THR A 21 54.814 6.767 -0.149 1.00 0.00 O ATOM 278 CG2 THR A 21 53.761 4.822 -1.107 1.00 0.00 C ATOM 0 H THR A 21 52.362 8.783 -1.737 1.00 0.00 H new ATOM 0 HA THR A 21 54.451 6.932 -2.791 1.00 0.00 H new ATOM 0 HB THR A 21 52.769 6.529 -0.250 1.00 0.00 H new ATOM 0 HG1 THR A 21 55.274 7.453 -0.677 1.00 0.00 H new ATOM 0 HG21 THR A 21 53.832 4.293 -0.157 1.00 0.00 H new ATOM 0 HG22 THR A 21 52.875 4.484 -1.645 1.00 0.00 H new ATOM 0 HG23 THR A 21 54.649 4.616 -1.704 1.00 0.00 H new ATOM 286 N LEU A 22 52.617 5.619 -3.886 1.00 0.00 N ATOM 287 CA LEU A 22 51.509 5.076 -4.725 1.00 0.00 C ATOM 288 C LEU A 22 50.564 4.217 -3.876 1.00 0.00 C ATOM 289 O LEU A 22 50.246 4.556 -2.753 1.00 0.00 O ATOM 290 CB LEU A 22 52.200 4.224 -5.793 1.00 0.00 C ATOM 291 CG LEU A 22 51.373 4.249 -7.079 1.00 0.00 C ATOM 292 CD1 LEU A 22 51.324 5.676 -7.629 1.00 0.00 C ATOM 293 CD2 LEU A 22 52.020 3.326 -8.114 1.00 0.00 C ATOM 0 H LEU A 22 53.534 5.209 -4.060 1.00 0.00 H new ATOM 0 HA LEU A 22 50.902 5.867 -5.165 1.00 0.00 H new ATOM 0 HB2 LEU A 22 53.203 4.606 -5.985 1.00 0.00 H new ATOM 0 HB3 LEU A 22 52.312 3.199 -5.440 1.00 0.00 H new ATOM 0 HG LEU A 22 50.360 3.908 -6.867 1.00 0.00 H new ATOM 0 HD11 LEU A 22 50.734 5.693 -8.546 1.00 0.00 H new ATOM 0 HD12 LEU A 22 50.866 6.335 -6.891 1.00 0.00 H new ATOM 0 HD13 LEU A 22 52.336 6.019 -7.843 1.00 0.00 H new ATOM 0 HD21 LEU A 22 51.433 3.341 -9.032 1.00 0.00 H new ATOM 0 HD22 LEU A 22 53.033 3.669 -8.325 1.00 0.00 H new ATOM 0 HD23 LEU A 22 52.056 2.309 -7.723 1.00 0.00 H new ATOM 305 N THR A 23 50.106 3.114 -4.405 1.00 0.00 N ATOM 306 CA THR A 23 49.176 2.243 -3.630 1.00 0.00 C ATOM 307 C THR A 23 49.573 0.769 -3.775 1.00 0.00 C ATOM 308 O THR A 23 48.732 -0.099 -3.895 1.00 0.00 O ATOM 309 CB THR A 23 47.803 2.487 -4.256 1.00 0.00 C ATOM 310 OG1 THR A 23 47.818 2.040 -5.606 1.00 0.00 O ATOM 311 CG2 THR A 23 47.480 3.981 -4.216 1.00 0.00 C ATOM 0 H THR A 23 50.336 2.779 -5.340 1.00 0.00 H new ATOM 0 HA THR A 23 49.192 2.470 -2.564 1.00 0.00 H new ATOM 0 HB THR A 23 47.044 1.940 -3.697 1.00 0.00 H new ATOM 0 HG1 THR A 23 46.939 2.193 -6.011 1.00 0.00 H new ATOM 0 HG21 THR A 23 46.501 4.154 -4.663 1.00 0.00 H new ATOM 0 HG22 THR A 23 47.473 4.324 -3.181 1.00 0.00 H new ATOM 0 HG23 THR A 23 48.236 4.532 -4.775 1.00 0.00 H new ATOM 319 N ASN A 24 50.844 0.479 -3.762 1.00 0.00 N ATOM 320 CA ASN A 24 51.285 -0.941 -3.898 1.00 0.00 C ATOM 321 C ASN A 24 52.599 -1.167 -3.144 1.00 0.00 C ATOM 322 O ASN A 24 53.612 -1.491 -3.731 1.00 0.00 O ATOM 323 CB ASN A 24 51.488 -1.159 -5.398 1.00 0.00 C ATOM 324 CG ASN A 24 51.481 -2.660 -5.699 1.00 0.00 C ATOM 325 OD1 ASN A 24 51.113 -3.459 -4.859 1.00 0.00 O ATOM 326 ND2 ASN A 24 51.874 -3.080 -6.870 1.00 0.00 N ATOM 0 H ASN A 24 51.596 1.161 -3.663 1.00 0.00 H new ATOM 0 HA ASN A 24 50.555 -1.635 -3.481 1.00 0.00 H new ATOM 0 HB2 ASN A 24 50.698 -0.661 -5.959 1.00 0.00 H new ATOM 0 HB3 ASN A 24 52.432 -0.717 -5.716 1.00 0.00 H new ATOM 0 HD21 ASN A 24 51.873 -4.078 -7.081 1.00 0.00 H new ATOM 0 HD22 ASN A 24 52.183 -2.410 -7.575 1.00 0.00 H new ATOM 333 N CYS A 25 52.584 -1.003 -1.850 1.00 0.00 N ATOM 334 CA CYS A 25 53.826 -1.210 -1.049 1.00 0.00 C ATOM 335 C CYS A 25 53.462 -1.613 0.382 1.00 0.00 C ATOM 336 O CYS A 25 52.885 -0.848 1.127 1.00 0.00 O ATOM 337 CB CYS A 25 54.536 0.145 -1.054 1.00 0.00 C ATOM 338 SG CYS A 25 55.191 0.485 -2.707 1.00 0.00 S ATOM 0 H CYS A 25 51.762 -0.733 -1.310 1.00 0.00 H new ATOM 0 HA CYS A 25 54.455 -2.000 -1.459 1.00 0.00 H new ATOM 0 HB2 CYS A 25 53.841 0.931 -0.759 1.00 0.00 H new ATOM 0 HB3 CYS A 25 55.346 0.145 -0.324 1.00 0.00 H new ATOM 343 N TYR A 26 53.798 -2.811 0.767 1.00 0.00 N ATOM 344 CA TYR A 26 53.477 -3.271 2.147 1.00 0.00 C ATOM 345 C TYR A 26 54.756 -3.343 2.979 1.00 0.00 C ATOM 346 O TYR A 26 55.446 -4.337 2.988 1.00 0.00 O ATOM 347 CB TYR A 26 52.880 -4.665 1.969 1.00 0.00 C ATOM 348 CG TYR A 26 51.830 -4.632 0.885 1.00 0.00 C ATOM 349 CD1 TYR A 26 50.507 -4.305 1.203 1.00 0.00 C ATOM 350 CD2 TYR A 26 52.178 -4.932 -0.438 1.00 0.00 C ATOM 351 CE1 TYR A 26 49.532 -4.278 0.199 1.00 0.00 C ATOM 352 CE2 TYR A 26 51.202 -4.907 -1.441 1.00 0.00 C ATOM 353 CZ TYR A 26 49.879 -4.579 -1.122 1.00 0.00 C ATOM 354 OH TYR A 26 48.916 -4.558 -2.110 1.00 0.00 O ATOM 0 H TYR A 26 54.282 -3.494 0.185 1.00 0.00 H new ATOM 0 HA TYR A 26 52.792 -2.597 2.662 1.00 0.00 H new ATOM 0 HB2 TYR A 26 53.664 -5.377 1.709 1.00 0.00 H new ATOM 0 HB3 TYR A 26 52.439 -5.005 2.906 1.00 0.00 H new ATOM 0 HD1 TYR A 26 50.238 -4.073 2.223 1.00 0.00 H new ATOM 0 HD2 TYR A 26 53.199 -5.183 -0.684 1.00 0.00 H new ATOM 0 HE1 TYR A 26 48.511 -4.025 0.445 1.00 0.00 H new ATOM 0 HE2 TYR A 26 51.470 -5.141 -2.461 1.00 0.00 H new ATOM 0 HH TYR A 26 49.325 -4.790 -2.970 1.00 0.00 H new ATOM 364 N VAL A 27 55.081 -2.299 3.677 1.00 0.00 N ATOM 365 CA VAL A 27 56.323 -2.315 4.492 1.00 0.00 C ATOM 366 C VAL A 27 56.010 -2.754 5.928 1.00 0.00 C ATOM 367 O VAL A 27 54.866 -2.819 6.332 1.00 0.00 O ATOM 368 CB VAL A 27 56.808 -0.864 4.473 1.00 0.00 C ATOM 369 CG1 VAL A 27 58.227 -0.785 5.037 1.00 0.00 C ATOM 370 CG2 VAL A 27 56.795 -0.331 3.036 1.00 0.00 C ATOM 0 H VAL A 27 54.542 -1.434 3.720 1.00 0.00 H new ATOM 0 HA VAL A 27 57.069 -3.009 4.105 1.00 0.00 H new ATOM 0 HB VAL A 27 56.142 -0.258 5.087 1.00 0.00 H new ATOM 0 HG11 VAL A 27 58.568 0.250 5.021 1.00 0.00 H new ATOM 0 HG12 VAL A 27 58.232 -1.153 6.063 1.00 0.00 H new ATOM 0 HG13 VAL A 27 58.895 -1.396 4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 27 57.141 0.703 3.028 1.00 0.00 H new ATOM 0 HG22 VAL A 27 57.454 -0.939 2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 27 55.780 -0.377 2.640 1.00 0.00 H new ATOM 380 N ASP A 28 57.022 -3.055 6.700 1.00 0.00 N ATOM 381 CA ASP A 28 56.798 -3.484 8.112 1.00 0.00 C ATOM 382 C ASP A 28 57.976 -3.028 8.981 1.00 0.00 C ATOM 383 O ASP A 28 59.112 -3.370 8.722 1.00 0.00 O ATOM 384 CB ASP A 28 56.734 -5.012 8.057 1.00 0.00 C ATOM 385 CG ASP A 28 55.587 -5.508 8.938 1.00 0.00 C ATOM 386 OD1 ASP A 28 54.896 -4.675 9.502 1.00 0.00 O ATOM 387 OD2 ASP A 28 55.418 -6.713 9.034 1.00 0.00 O ATOM 0 H ASP A 28 58.000 -3.022 6.411 1.00 0.00 H new ATOM 0 HA ASP A 28 55.892 -3.056 8.541 1.00 0.00 H new ATOM 0 HB2 ASP A 28 56.586 -5.343 7.029 1.00 0.00 H new ATOM 0 HB3 ASP A 28 57.678 -5.438 8.397 1.00 0.00 H new ATOM 392 N LYS A 29 57.721 -2.256 10.003 1.00 0.00 N ATOM 393 CA LYS A 29 58.839 -1.782 10.870 1.00 0.00 C ATOM 394 C LYS A 29 60.011 -1.326 9.993 1.00 0.00 C ATOM 395 O LYS A 29 61.091 -1.881 10.046 1.00 0.00 O ATOM 396 CB LYS A 29 59.232 -3.001 11.709 1.00 0.00 C ATOM 397 CG LYS A 29 59.031 -2.688 13.194 1.00 0.00 C ATOM 398 CD LYS A 29 58.446 -3.913 13.903 1.00 0.00 C ATOM 399 CE LYS A 29 59.281 -5.150 13.561 1.00 0.00 C ATOM 400 NZ LYS A 29 59.475 -5.857 14.858 1.00 0.00 N ATOM 0 H LYS A 29 56.792 -1.934 10.274 1.00 0.00 H new ATOM 0 HA LYS A 29 58.557 -0.936 11.497 1.00 0.00 H new ATOM 0 HB2 LYS A 29 58.628 -3.862 11.423 1.00 0.00 H new ATOM 0 HB3 LYS A 29 60.273 -3.265 11.520 1.00 0.00 H new ATOM 0 HG2 LYS A 29 59.982 -2.411 13.650 1.00 0.00 H new ATOM 0 HG3 LYS A 29 58.362 -1.835 13.309 1.00 0.00 H new ATOM 0 HD2 LYS A 29 58.439 -3.753 14.981 1.00 0.00 H new ATOM 0 HD3 LYS A 29 57.411 -4.064 13.596 1.00 0.00 H new ATOM 0 HE2 LYS A 29 58.768 -5.785 12.839 1.00 0.00 H new ATOM 0 HE3 LYS A 29 60.237 -4.870 13.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 60.040 -6.717 14.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 59.972 -5.231 15.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 58.549 -6.117 15.253 1.00 0.00 H new ATOM 414 N SER A 30 59.800 -0.329 9.175 1.00 0.00 N ATOM 415 CA SER A 30 60.896 0.147 8.280 1.00 0.00 C ATOM 416 C SER A 30 61.039 1.666 8.341 1.00 0.00 C ATOM 417 O SER A 30 60.379 2.337 9.104 1.00 0.00 O ATOM 418 CB SER A 30 60.446 -0.253 6.882 1.00 0.00 C ATOM 419 OG SER A 30 59.789 -1.514 6.940 1.00 0.00 O ATOM 0 H SER A 30 58.918 0.176 9.088 1.00 0.00 H new ATOM 0 HA SER A 30 61.858 -0.278 8.567 1.00 0.00 H new ATOM 0 HB2 SER A 30 59.773 0.502 6.475 1.00 0.00 H new ATOM 0 HB3 SER A 30 61.305 -0.308 6.213 1.00 0.00 H new ATOM 0 HG SER A 30 60.166 -2.111 6.260 1.00 0.00 H new ATOM 425 N GLU A 31 61.895 2.210 7.525 1.00 0.00 N ATOM 426 CA GLU A 31 62.081 3.689 7.510 1.00 0.00 C ATOM 427 C GLU A 31 62.371 4.158 6.083 1.00 0.00 C ATOM 428 O GLU A 31 63.463 3.982 5.583 1.00 0.00 O ATOM 429 CB GLU A 31 63.282 3.948 8.419 1.00 0.00 C ATOM 430 CG GLU A 31 62.836 4.756 9.640 1.00 0.00 C ATOM 431 CD GLU A 31 62.593 3.810 10.816 1.00 0.00 C ATOM 432 OE1 GLU A 31 62.386 2.633 10.570 1.00 0.00 O ATOM 433 OE2 GLU A 31 62.617 4.279 11.942 1.00 0.00 O ATOM 0 H GLU A 31 62.477 1.694 6.865 1.00 0.00 H new ATOM 0 HA GLU A 31 61.196 4.226 7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 31 63.721 3.002 8.737 1.00 0.00 H new ATOM 0 HB3 GLU A 31 64.054 4.491 7.873 1.00 0.00 H new ATOM 0 HG2 GLU A 31 63.598 5.490 9.902 1.00 0.00 H new ATOM 0 HG3 GLU A 31 61.925 5.309 9.410 1.00 0.00 H new ATOM 440 N VAL A 32 61.417 4.756 5.416 1.00 0.00 N ATOM 441 CA VAL A 32 61.684 5.221 4.028 1.00 0.00 C ATOM 442 C VAL A 32 61.549 6.740 3.948 1.00 0.00 C ATOM 443 O VAL A 32 60.628 7.328 4.482 1.00 0.00 O ATOM 444 CB VAL A 32 60.644 4.527 3.143 1.00 0.00 C ATOM 445 CG1 VAL A 32 60.528 3.052 3.541 1.00 0.00 C ATOM 446 CG2 VAL A 32 59.286 5.218 3.300 1.00 0.00 C ATOM 0 H VAL A 32 60.478 4.939 5.769 1.00 0.00 H new ATOM 0 HA VAL A 32 62.696 4.976 3.705 1.00 0.00 H new ATOM 0 HB VAL A 32 60.958 4.592 2.101 1.00 0.00 H new ATOM 0 HG11 VAL A 32 59.787 2.562 2.909 1.00 0.00 H new ATOM 0 HG12 VAL A 32 61.494 2.564 3.413 1.00 0.00 H new ATOM 0 HG13 VAL A 32 60.220 2.980 4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 32 58.550 4.721 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 32 58.968 5.163 4.341 1.00 0.00 H new ATOM 0 HG23 VAL A 32 59.373 6.263 3.002 1.00 0.00 H new ATOM 456 N TYR A 33 62.464 7.373 3.277 1.00 0.00 N ATOM 457 CA TYR A 33 62.417 8.852 3.139 1.00 0.00 C ATOM 458 C TYR A 33 61.783 9.189 1.785 1.00 0.00 C ATOM 459 O TYR A 33 60.809 8.578 1.396 1.00 0.00 O ATOM 460 CB TYR A 33 63.880 9.303 3.220 1.00 0.00 C ATOM 461 CG TYR A 33 64.353 9.278 4.658 1.00 0.00 C ATOM 462 CD1 TYR A 33 64.144 8.145 5.458 1.00 0.00 C ATOM 463 CD2 TYR A 33 65.011 10.394 5.188 1.00 0.00 C ATOM 464 CE1 TYR A 33 64.590 8.133 6.785 1.00 0.00 C ATOM 465 CE2 TYR A 33 65.458 10.379 6.515 1.00 0.00 C ATOM 466 CZ TYR A 33 65.246 9.250 7.312 1.00 0.00 C ATOM 467 OH TYR A 33 65.687 9.236 8.619 1.00 0.00 O ATOM 0 H TYR A 33 63.253 6.924 2.812 1.00 0.00 H new ATOM 0 HA TYR A 33 61.823 9.351 3.905 1.00 0.00 H new ATOM 0 HB2 TYR A 33 64.505 8.649 2.612 1.00 0.00 H new ATOM 0 HB3 TYR A 33 63.982 10.309 2.813 1.00 0.00 H new ATOM 0 HD1 TYR A 33 63.639 7.282 5.050 1.00 0.00 H new ATOM 0 HD2 TYR A 33 65.174 11.267 4.573 1.00 0.00 H new ATOM 0 HE1 TYR A 33 64.427 7.261 7.402 1.00 0.00 H new ATOM 0 HE2 TYR A 33 65.967 11.240 6.923 1.00 0.00 H new ATOM 0 HH TYR A 33 66.123 10.089 8.826 1.00 0.00 H new ATOM 477 N GLY A 34 62.305 10.144 1.061 1.00 0.00 N ATOM 478 CA GLY A 34 61.704 10.481 -0.261 1.00 0.00 C ATOM 479 C GLY A 34 61.872 9.297 -1.223 1.00 0.00 C ATOM 480 O GLY A 34 62.480 9.417 -2.267 1.00 0.00 O ATOM 0 H GLY A 34 63.117 10.702 1.327 1.00 0.00 H new ATOM 0 HA2 GLY A 34 60.647 10.717 -0.141 1.00 0.00 H new ATOM 0 HA3 GLY A 34 62.184 11.368 -0.674 1.00 0.00 H new ATOM 484 N THR A 35 61.338 8.154 -0.877 1.00 0.00 N ATOM 485 CA THR A 35 61.465 6.964 -1.766 1.00 0.00 C ATOM 486 C THR A 35 60.227 6.842 -2.660 1.00 0.00 C ATOM 487 O THR A 35 59.195 7.424 -2.392 1.00 0.00 O ATOM 488 CB THR A 35 61.571 5.770 -0.810 1.00 0.00 C ATOM 489 OG1 THR A 35 62.899 5.687 -0.313 1.00 0.00 O ATOM 490 CG2 THR A 35 61.219 4.473 -1.543 1.00 0.00 C ATOM 0 H THR A 35 60.818 7.995 -0.014 1.00 0.00 H new ATOM 0 HA THR A 35 62.326 7.027 -2.431 1.00 0.00 H new ATOM 0 HB THR A 35 60.873 5.909 0.016 1.00 0.00 H new ATOM 0 HG1 THR A 35 63.131 6.524 0.141 1.00 0.00 H new ATOM 0 HG21 THR A 35 61.298 3.632 -0.854 1.00 0.00 H new ATOM 0 HG22 THR A 35 60.200 4.535 -1.924 1.00 0.00 H new ATOM 0 HG23 THR A 35 61.908 4.326 -2.374 1.00 0.00 H new ATOM 498 N THR A 36 60.324 6.092 -3.723 1.00 0.00 N ATOM 499 CA THR A 36 59.156 5.936 -4.636 1.00 0.00 C ATOM 500 C THR A 36 58.445 4.605 -4.371 1.00 0.00 C ATOM 501 O THR A 36 58.717 3.927 -3.400 1.00 0.00 O ATOM 502 CB THR A 36 59.748 5.954 -6.048 1.00 0.00 C ATOM 503 OG1 THR A 36 60.364 4.702 -6.316 1.00 0.00 O ATOM 504 CG2 THR A 36 60.788 7.070 -6.156 1.00 0.00 C ATOM 0 H THR A 36 61.162 5.580 -3.999 1.00 0.00 H new ATOM 0 HA THR A 36 58.417 6.724 -4.493 1.00 0.00 H new ATOM 0 HB THR A 36 58.953 6.132 -6.773 1.00 0.00 H new ATOM 0 HG1 THR A 36 60.312 4.510 -7.276 1.00 0.00 H new ATOM 0 HG21 THR A 36 61.208 7.080 -7.162 1.00 0.00 H new ATOM 0 HG22 THR A 36 60.314 8.030 -5.951 1.00 0.00 H new ATOM 0 HG23 THR A 36 61.585 6.896 -5.432 1.00 0.00 H new ATOM 512 N CYS A 37 57.537 4.229 -5.228 1.00 0.00 N ATOM 513 CA CYS A 37 56.805 2.945 -5.033 1.00 0.00 C ATOM 514 C CYS A 37 56.017 2.600 -6.301 1.00 0.00 C ATOM 515 O CYS A 37 55.448 3.462 -6.941 1.00 0.00 O ATOM 516 CB CYS A 37 55.860 3.205 -3.859 1.00 0.00 C ATOM 517 SG CYS A 37 56.319 2.144 -2.467 1.00 0.00 S ATOM 0 H CYS A 37 57.269 4.757 -6.058 1.00 0.00 H new ATOM 0 HA CYS A 37 57.472 2.106 -4.835 1.00 0.00 H new ATOM 0 HB2 CYS A 37 55.910 4.253 -3.563 1.00 0.00 H new ATOM 0 HB3 CYS A 37 54.830 3.007 -4.157 1.00 0.00 H new ATOM 522 N THR A 38 55.988 1.350 -6.677 1.00 0.00 N ATOM 523 CA THR A 38 55.244 0.964 -7.911 1.00 0.00 C ATOM 524 C THR A 38 55.379 -0.540 -8.172 1.00 0.00 C ATOM 525 O THR A 38 55.588 -0.967 -9.291 1.00 0.00 O ATOM 526 CB THR A 38 55.905 1.764 -9.039 1.00 0.00 C ATOM 527 OG1 THR A 38 55.432 1.290 -10.292 1.00 0.00 O ATOM 528 CG2 THR A 38 57.425 1.599 -8.972 1.00 0.00 C ATOM 0 H THR A 38 56.445 0.582 -6.186 1.00 0.00 H new ATOM 0 HA THR A 38 54.178 1.174 -7.828 1.00 0.00 H new ATOM 0 HB THR A 38 55.654 2.819 -8.927 1.00 0.00 H new ATOM 0 HG1 THR A 38 55.697 0.354 -10.409 1.00 0.00 H new ATOM 0 HG21 THR A 38 57.889 2.170 -9.776 1.00 0.00 H new ATOM 0 HG22 THR A 38 57.789 1.964 -8.011 1.00 0.00 H new ATOM 0 HG23 THR A 38 57.682 0.545 -9.080 1.00 0.00 H new ATOM 536 N GLY A 39 55.260 -1.347 -7.154 1.00 0.00 N ATOM 537 CA GLY A 39 55.381 -2.820 -7.357 1.00 0.00 C ATOM 538 C GLY A 39 56.505 -3.374 -6.480 1.00 0.00 C ATOM 539 O GLY A 39 57.272 -4.218 -6.899 1.00 0.00 O ATOM 0 H GLY A 39 55.085 -1.053 -6.193 1.00 0.00 H new ATOM 0 HA2 GLY A 39 54.439 -3.309 -7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 39 55.586 -3.036 -8.406 1.00 0.00 H new ATOM 543 N SER A 40 56.609 -2.909 -5.265 1.00 0.00 N ATOM 544 CA SER A 40 57.684 -3.412 -4.360 1.00 0.00 C ATOM 545 C SER A 40 57.088 -3.793 -3.002 1.00 0.00 C ATOM 546 O SER A 40 55.931 -3.541 -2.729 1.00 0.00 O ATOM 547 CB SER A 40 58.656 -2.241 -4.215 1.00 0.00 C ATOM 548 OG SER A 40 58.420 -1.583 -2.977 1.00 0.00 O ATOM 0 H SER A 40 55.996 -2.202 -4.859 1.00 0.00 H new ATOM 0 HA SER A 40 58.177 -4.302 -4.751 1.00 0.00 H new ATOM 0 HB2 SER A 40 59.684 -2.600 -4.259 1.00 0.00 H new ATOM 0 HB3 SER A 40 58.527 -1.542 -5.041 1.00 0.00 H new ATOM 0 HG SER A 40 57.562 -1.112 -3.016 1.00 0.00 H new ATOM 554 N ARG A 41 57.865 -4.402 -2.151 1.00 0.00 N ATOM 555 CA ARG A 41 57.338 -4.803 -0.814 1.00 0.00 C ATOM 556 C ARG A 41 58.449 -4.702 0.238 1.00 0.00 C ATOM 557 O ARG A 41 59.538 -5.203 0.052 1.00 0.00 O ATOM 558 CB ARG A 41 56.882 -6.253 -1.006 1.00 0.00 C ATOM 559 CG ARG A 41 56.875 -6.986 0.337 1.00 0.00 C ATOM 560 CD ARG A 41 56.082 -6.167 1.355 1.00 0.00 C ATOM 561 NE ARG A 41 55.312 -7.170 2.139 1.00 0.00 N ATOM 562 CZ ARG A 41 55.883 -7.810 3.122 1.00 0.00 C ATOM 563 NH1 ARG A 41 56.609 -8.866 2.879 1.00 0.00 N ATOM 564 NH2 ARG A 41 55.729 -7.393 4.348 1.00 0.00 N ATOM 0 H ARG A 41 58.842 -4.640 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 41 56.526 -4.166 -0.465 1.00 0.00 H new ATOM 0 HB2 ARG A 41 55.885 -6.273 -1.445 1.00 0.00 H new ATOM 0 HB3 ARG A 41 57.548 -6.762 -1.703 1.00 0.00 H new ATOM 0 HG2 ARG A 41 56.430 -7.975 0.223 1.00 0.00 H new ATOM 0 HG3 ARG A 41 57.896 -7.135 0.689 1.00 0.00 H new ATOM 0 HD2 ARG A 41 56.745 -5.588 1.998 1.00 0.00 H new ATOM 0 HD3 ARG A 41 55.418 -5.458 0.860 1.00 0.00 H new ATOM 0 HE ARG A 41 54.336 -7.357 1.908 1.00 0.00 H new ATOM 0 HH11 ARG A 41 56.731 -9.192 1.920 1.00 0.00 H new ATOM 0 HH12 ARG A 41 57.055 -9.366 3.648 1.00 0.00 H new ATOM 0 HH21 ARG A 41 55.162 -6.567 4.538 1.00 0.00 H new ATOM 0 HH22 ARG A 41 56.175 -7.893 5.117 1.00 0.00 H new ATOM 578 N PHE A 42 58.191 -4.049 1.337 1.00 0.00 N ATOM 579 CA PHE A 42 59.252 -3.918 2.385 1.00 0.00 C ATOM 580 C PHE A 42 58.909 -4.770 3.614 1.00 0.00 C ATOM 581 O PHE A 42 57.821 -5.289 3.742 1.00 0.00 O ATOM 582 CB PHE A 42 59.256 -2.440 2.770 1.00 0.00 C ATOM 583 CG PHE A 42 60.106 -1.639 1.809 1.00 0.00 C ATOM 584 CD1 PHE A 42 59.987 -1.836 0.427 1.00 0.00 C ATOM 585 CD2 PHE A 42 61.012 -0.690 2.304 1.00 0.00 C ATOM 586 CE1 PHE A 42 60.771 -1.086 -0.457 1.00 0.00 C ATOM 587 CE2 PHE A 42 61.796 0.058 1.418 1.00 0.00 C ATOM 588 CZ PHE A 42 61.675 -0.139 0.037 1.00 0.00 C ATOM 0 H PHE A 42 57.301 -3.603 1.557 1.00 0.00 H new ATOM 0 HA PHE A 42 60.221 -4.256 2.017 1.00 0.00 H new ATOM 0 HB2 PHE A 42 58.236 -2.056 2.768 1.00 0.00 H new ATOM 0 HB3 PHE A 42 59.638 -2.324 3.784 1.00 0.00 H new ATOM 0 HD1 PHE A 42 59.290 -2.567 0.044 1.00 0.00 H new ATOM 0 HD2 PHE A 42 61.105 -0.536 3.369 1.00 0.00 H new ATOM 0 HE1 PHE A 42 60.678 -1.238 -1.522 1.00 0.00 H new ATOM 0 HE2 PHE A 42 62.495 0.788 1.800 1.00 0.00 H new ATOM 0 HZ PHE A 42 62.279 0.440 -0.646 1.00 0.00 H new ATOM 598 N ASP A 43 59.832 -4.905 4.528 1.00 0.00 N ATOM 599 CA ASP A 43 59.558 -5.711 5.754 1.00 0.00 C ATOM 600 C ASP A 43 60.739 -5.614 6.725 1.00 0.00 C ATOM 601 O ASP A 43 61.570 -6.497 6.795 1.00 0.00 O ATOM 602 CB ASP A 43 59.384 -7.149 5.260 1.00 0.00 C ATOM 603 CG ASP A 43 58.557 -7.941 6.275 1.00 0.00 C ATOM 604 OD1 ASP A 43 57.364 -7.697 6.356 1.00 0.00 O ATOM 605 OD2 ASP A 43 59.130 -8.778 6.952 1.00 0.00 O ATOM 0 H ASP A 43 60.764 -4.492 4.479 1.00 0.00 H new ATOM 0 HA ASP A 43 58.676 -5.358 6.289 1.00 0.00 H new ATOM 0 HB2 ASP A 43 58.889 -7.154 4.289 1.00 0.00 H new ATOM 0 HB3 ASP A 43 60.358 -7.618 5.123 1.00 0.00 H new ATOM 610 N GLY A 44 60.819 -4.547 7.472 1.00 0.00 N ATOM 611 CA GLY A 44 61.945 -4.392 8.435 1.00 0.00 C ATOM 612 C GLY A 44 63.160 -3.828 7.700 1.00 0.00 C ATOM 613 O GLY A 44 64.160 -4.495 7.537 1.00 0.00 O ATOM 0 H GLY A 44 60.152 -3.775 7.457 1.00 0.00 H new ATOM 0 HA2 GLY A 44 61.655 -3.726 9.248 1.00 0.00 H new ATOM 0 HA3 GLY A 44 62.191 -5.354 8.884 1.00 0.00 H new ATOM 617 N VAL A 45 63.079 -2.608 7.239 1.00 0.00 N ATOM 618 CA VAL A 45 64.234 -2.015 6.504 1.00 0.00 C ATOM 619 C VAL A 45 64.325 -0.506 6.759 1.00 0.00 C ATOM 620 O VAL A 45 63.340 0.202 6.721 1.00 0.00 O ATOM 621 CB VAL A 45 63.936 -2.315 5.029 1.00 0.00 C ATOM 622 CG1 VAL A 45 64.549 -1.241 4.114 1.00 0.00 C ATOM 623 CG2 VAL A 45 64.525 -3.684 4.673 1.00 0.00 C ATOM 0 H VAL A 45 62.267 -1.999 7.339 1.00 0.00 H new ATOM 0 HA VAL A 45 65.192 -2.427 6.822 1.00 0.00 H new ATOM 0 HB VAL A 45 62.856 -2.315 4.881 1.00 0.00 H new ATOM 0 HG11 VAL A 45 64.323 -1.477 3.074 1.00 0.00 H new ATOM 0 HG12 VAL A 45 64.129 -0.267 4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 45 65.630 -1.217 4.254 1.00 0.00 H new ATOM 0 HG21 VAL A 45 64.319 -3.908 3.626 1.00 0.00 H new ATOM 0 HG22 VAL A 45 65.603 -3.670 4.836 1.00 0.00 H new ATOM 0 HG23 VAL A 45 64.073 -4.450 5.303 1.00 0.00 H new ATOM 633 N THR A 46 65.509 -0.011 6.988 1.00 0.00 N ATOM 634 CA THR A 46 65.672 1.453 7.207 1.00 0.00 C ATOM 635 C THR A 46 66.346 2.067 5.981 1.00 0.00 C ATOM 636 O THR A 46 67.556 2.084 5.867 1.00 0.00 O ATOM 637 CB THR A 46 66.567 1.589 8.438 1.00 0.00 C ATOM 638 OG1 THR A 46 65.921 1.003 9.560 1.00 0.00 O ATOM 639 CG2 THR A 46 66.821 3.072 8.706 1.00 0.00 C ATOM 0 H THR A 46 66.370 -0.556 7.033 1.00 0.00 H new ATOM 0 HA THR A 46 64.721 1.963 7.356 1.00 0.00 H new ATOM 0 HB THR A 46 67.515 1.080 8.265 1.00 0.00 H new ATOM 0 HG1 THR A 46 66.495 1.088 10.350 1.00 0.00 H new ATOM 0 HG21 THR A 46 67.459 3.179 9.583 1.00 0.00 H new ATOM 0 HG22 THR A 46 67.313 3.519 7.842 1.00 0.00 H new ATOM 0 HG23 THR A 46 65.872 3.577 8.884 1.00 0.00 H new ATOM 647 N ILE A 47 65.574 2.553 5.051 1.00 0.00 N ATOM 648 CA ILE A 47 66.174 3.142 3.821 1.00 0.00 C ATOM 649 C ILE A 47 65.901 4.647 3.749 1.00 0.00 C ATOM 650 O ILE A 47 65.155 5.192 4.536 1.00 0.00 O ATOM 651 CB ILE A 47 65.478 2.413 2.673 1.00 0.00 C ATOM 652 CG1 ILE A 47 63.963 2.508 2.868 1.00 0.00 C ATOM 653 CG2 ILE A 47 65.905 0.944 2.671 1.00 0.00 C ATOM 654 CD1 ILE A 47 63.311 2.993 1.571 1.00 0.00 C ATOM 0 H ILE A 47 64.555 2.568 5.088 1.00 0.00 H new ATOM 0 HA ILE A 47 67.258 3.027 3.793 1.00 0.00 H new ATOM 0 HB ILE A 47 65.754 2.869 1.722 1.00 0.00 H new ATOM 0 HG12 ILE A 47 63.560 1.535 3.148 1.00 0.00 H new ATOM 0 HG13 ILE A 47 63.733 3.195 3.682 1.00 0.00 H new ATOM 0 HG21 ILE A 47 65.409 0.422 1.852 1.00 0.00 H new ATOM 0 HG22 ILE A 47 66.985 0.879 2.541 1.00 0.00 H new ATOM 0 HG23 ILE A 47 65.625 0.482 3.618 1.00 0.00 H new ATOM 0 HD11 ILE A 47 62.232 3.061 1.709 1.00 0.00 H new ATOM 0 HD12 ILE A 47 63.706 3.975 1.310 1.00 0.00 H new ATOM 0 HD13 ILE A 47 63.530 2.289 0.768 1.00 0.00 H new ATOM 666 N THR A 48 66.504 5.323 2.807 1.00 0.00 N ATOM 667 CA THR A 48 66.281 6.792 2.683 1.00 0.00 C ATOM 668 C THR A 48 65.656 7.126 1.321 1.00 0.00 C ATOM 669 O THR A 48 65.112 6.272 0.651 1.00 0.00 O ATOM 670 CB THR A 48 67.674 7.420 2.826 1.00 0.00 C ATOM 671 OG1 THR A 48 67.539 8.761 3.277 1.00 0.00 O ATOM 672 CG2 THR A 48 68.403 7.407 1.479 1.00 0.00 C ATOM 0 H THR A 48 67.141 4.921 2.119 1.00 0.00 H new ATOM 0 HA THR A 48 65.592 7.172 3.437 1.00 0.00 H new ATOM 0 HB THR A 48 68.253 6.842 3.546 1.00 0.00 H new ATOM 0 HG1 THR A 48 66.669 8.873 3.715 1.00 0.00 H new ATOM 0 HG21 THR A 48 69.390 7.855 1.595 1.00 0.00 H new ATOM 0 HG22 THR A 48 68.510 6.379 1.133 1.00 0.00 H new ATOM 0 HG23 THR A 48 67.829 7.977 0.749 1.00 0.00 H new ATOM 680 N THR A 49 65.727 8.365 0.914 1.00 0.00 N ATOM 681 CA THR A 49 65.132 8.757 -0.395 1.00 0.00 C ATOM 682 C THR A 49 65.695 7.880 -1.511 1.00 0.00 C ATOM 683 O THR A 49 66.676 8.218 -2.144 1.00 0.00 O ATOM 684 CB THR A 49 65.544 10.217 -0.597 1.00 0.00 C ATOM 685 OG1 THR A 49 64.845 11.036 0.330 1.00 0.00 O ATOM 686 CG2 THR A 49 65.205 10.656 -2.022 1.00 0.00 C ATOM 0 H THR A 49 66.172 9.123 1.432 1.00 0.00 H new ATOM 0 HA THR A 49 64.049 8.635 -0.411 1.00 0.00 H new ATOM 0 HB THR A 49 66.617 10.316 -0.436 1.00 0.00 H new ATOM 0 HG1 THR A 49 65.109 11.971 0.204 1.00 0.00 H new ATOM 0 HG21 THR A 49 65.500 11.696 -2.162 1.00 0.00 H new ATOM 0 HG22 THR A 49 65.741 10.028 -2.733 1.00 0.00 H new ATOM 0 HG23 THR A 49 64.132 10.557 -2.188 1.00 0.00 H new ATOM 694 N SER A 50 65.088 6.754 -1.758 1.00 0.00 N ATOM 695 CA SER A 50 65.607 5.866 -2.835 1.00 0.00 C ATOM 696 C SER A 50 64.491 5.477 -3.800 1.00 0.00 C ATOM 697 O SER A 50 63.348 5.324 -3.419 1.00 0.00 O ATOM 698 CB SER A 50 66.140 4.632 -2.108 1.00 0.00 C ATOM 699 OG SER A 50 67.223 5.013 -1.270 1.00 0.00 O ATOM 0 H SER A 50 64.262 6.412 -1.266 1.00 0.00 H new ATOM 0 HA SER A 50 66.376 6.357 -3.431 1.00 0.00 H new ATOM 0 HB2 SER A 50 65.348 4.175 -1.514 1.00 0.00 H new ATOM 0 HB3 SER A 50 66.469 3.884 -2.830 1.00 0.00 H new ATOM 0 HG SER A 50 66.877 5.472 -0.477 1.00 0.00 H new ATOM 705 N THR A 51 64.820 5.312 -5.047 1.00 0.00 N ATOM 706 CA THR A 51 63.789 4.921 -6.044 1.00 0.00 C ATOM 707 C THR A 51 63.887 3.421 -6.310 1.00 0.00 C ATOM 708 O THR A 51 63.920 2.983 -7.442 1.00 0.00 O ATOM 709 CB THR A 51 64.129 5.717 -7.304 1.00 0.00 C ATOM 710 OG1 THR A 51 64.104 7.108 -7.005 1.00 0.00 O ATOM 711 CG2 THR A 51 63.109 5.402 -8.400 1.00 0.00 C ATOM 0 H THR A 51 65.762 5.431 -5.421 1.00 0.00 H new ATOM 0 HA THR A 51 62.774 5.127 -5.704 1.00 0.00 H new ATOM 0 HB THR A 51 65.124 5.442 -7.653 1.00 0.00 H new ATOM 0 HG1 THR A 51 64.323 7.620 -7.811 1.00 0.00 H new ATOM 0 HG21 THR A 51 63.352 5.970 -9.298 1.00 0.00 H new ATOM 0 HG22 THR A 51 63.136 4.336 -8.627 1.00 0.00 H new ATOM 0 HG23 THR A 51 62.111 5.675 -8.057 1.00 0.00 H new ATOM 719 N SER A 52 63.947 2.634 -5.271 1.00 0.00 N ATOM 720 CA SER A 52 64.056 1.158 -5.451 1.00 0.00 C ATOM 721 C SER A 52 62.769 0.470 -4.995 1.00 0.00 C ATOM 722 O SER A 52 62.549 0.261 -3.818 1.00 0.00 O ATOM 723 CB SER A 52 65.226 0.742 -4.561 1.00 0.00 C ATOM 724 OG SER A 52 65.765 -0.484 -5.036 1.00 0.00 O ATOM 0 H SER A 52 63.925 2.951 -4.302 1.00 0.00 H new ATOM 0 HA SER A 52 64.211 0.879 -6.493 1.00 0.00 H new ATOM 0 HB2 SER A 52 65.994 1.516 -4.565 1.00 0.00 H new ATOM 0 HB3 SER A 52 64.891 0.630 -3.530 1.00 0.00 H new ATOM 0 HG SER A 52 66.082 -0.367 -5.956 1.00 0.00 H new ATOM 730 N THR A 53 61.917 0.111 -5.917 1.00 0.00 N ATOM 731 CA THR A 53 60.648 -0.568 -5.535 1.00 0.00 C ATOM 732 C THR A 53 60.271 -1.615 -6.585 1.00 0.00 C ATOM 733 O THR A 53 59.724 -1.302 -7.623 1.00 0.00 O ATOM 734 CB THR A 53 59.598 0.543 -5.481 1.00 0.00 C ATOM 735 OG1 THR A 53 60.087 1.690 -6.162 1.00 0.00 O ATOM 736 CG2 THR A 53 59.308 0.897 -4.021 1.00 0.00 C ATOM 0 H THR A 53 62.046 0.259 -6.918 1.00 0.00 H new ATOM 0 HA THR A 53 60.733 -1.091 -4.582 1.00 0.00 H new ATOM 0 HB THR A 53 58.680 0.202 -5.961 1.00 0.00 H new ATOM 0 HG1 THR A 53 59.830 2.497 -5.669 1.00 0.00 H new ATOM 0 HG21 THR A 53 58.560 1.689 -3.980 1.00 0.00 H new ATOM 0 HG22 THR A 53 58.933 0.016 -3.501 1.00 0.00 H new ATOM 0 HG23 THR A 53 60.225 1.239 -3.541 1.00 0.00 H new ATOM 744 N GLY A 54 60.559 -2.858 -6.316 1.00 0.00 N ATOM 745 CA GLY A 54 60.220 -3.938 -7.286 1.00 0.00 C ATOM 746 C GLY A 54 60.235 -5.282 -6.557 1.00 0.00 C ATOM 747 O GLY A 54 59.324 -6.076 -6.674 1.00 0.00 O ATOM 0 H GLY A 54 61.017 -3.174 -5.461 1.00 0.00 H new ATOM 0 HA2 GLY A 54 59.238 -3.757 -7.723 1.00 0.00 H new ATOM 0 HA3 GLY A 54 60.937 -3.946 -8.107 1.00 0.00 H new ATOM 751 N SER A 55 61.269 -5.538 -5.803 1.00 0.00 N ATOM 752 CA SER A 55 61.355 -6.824 -5.058 1.00 0.00 C ATOM 753 C SER A 55 60.985 -6.598 -3.590 1.00 0.00 C ATOM 754 O SER A 55 60.478 -5.556 -3.223 1.00 0.00 O ATOM 755 CB SER A 55 62.818 -7.250 -5.192 1.00 0.00 C ATOM 756 OG SER A 55 63.308 -7.689 -3.933 1.00 0.00 O ATOM 0 H SER A 55 62.061 -4.908 -5.671 1.00 0.00 H new ATOM 0 HA SER A 55 60.674 -7.584 -5.442 1.00 0.00 H new ATOM 0 HB2 SER A 55 62.908 -8.050 -5.927 1.00 0.00 H new ATOM 0 HB3 SER A 55 63.418 -6.415 -5.555 1.00 0.00 H new ATOM 0 HG SER A 55 63.691 -6.929 -3.448 1.00 0.00 H new ATOM 762 N ARG A 56 61.233 -7.561 -2.747 1.00 0.00 N ATOM 763 CA ARG A 56 60.895 -7.396 -1.307 1.00 0.00 C ATOM 764 C ARG A 56 62.095 -6.814 -0.558 1.00 0.00 C ATOM 765 O ARG A 56 63.225 -7.162 -0.822 1.00 0.00 O ATOM 766 CB ARG A 56 60.587 -8.808 -0.811 1.00 0.00 C ATOM 767 CG ARG A 56 59.086 -9.075 -0.928 1.00 0.00 C ATOM 768 CD ARG A 56 58.856 -10.311 -1.797 1.00 0.00 C ATOM 769 NE ARG A 56 59.159 -11.466 -0.907 1.00 0.00 N ATOM 770 CZ ARG A 56 58.191 -12.224 -0.471 1.00 0.00 C ATOM 771 NH1 ARG A 56 57.170 -11.689 0.141 1.00 0.00 N ATOM 772 NH2 ARG A 56 58.242 -13.516 -0.650 1.00 0.00 N ATOM 0 H ARG A 56 61.656 -8.456 -2.994 1.00 0.00 H new ATOM 0 HA ARG A 56 60.056 -6.718 -1.148 1.00 0.00 H new ATOM 0 HB2 ARG A 56 61.144 -9.540 -1.396 1.00 0.00 H new ATOM 0 HB3 ARG A 56 60.907 -8.919 0.225 1.00 0.00 H new ATOM 0 HG2 ARG A 56 58.654 -9.227 0.061 1.00 0.00 H new ATOM 0 HG3 ARG A 56 58.585 -8.211 -1.365 1.00 0.00 H new ATOM 0 HD2 ARG A 56 57.830 -10.352 -2.162 1.00 0.00 H new ATOM 0 HD3 ARG A 56 59.506 -10.305 -2.672 1.00 0.00 H new ATOM 0 HE ARG A 56 60.123 -11.664 -0.639 1.00 0.00 H new ATOM 0 HH11 ARG A 56 57.129 -10.679 0.278 1.00 0.00 H new ATOM 0 HH12 ARG A 56 56.413 -12.281 0.482 1.00 0.00 H new ATOM 0 HH21 ARG A 56 59.039 -13.933 -1.131 1.00 0.00 H new ATOM 0 HH22 ARG A 56 57.485 -14.108 -0.309 1.00 0.00 H new ATOM 786 N ILE A 57 61.864 -5.930 0.371 1.00 0.00 N ATOM 787 CA ILE A 57 63.002 -5.335 1.125 1.00 0.00 C ATOM 788 C ILE A 57 62.954 -5.780 2.593 1.00 0.00 C ATOM 789 O ILE A 57 61.949 -5.641 3.262 1.00 0.00 O ATOM 790 CB ILE A 57 62.804 -3.821 1.009 1.00 0.00 C ATOM 791 CG1 ILE A 57 63.227 -3.347 -0.392 1.00 0.00 C ATOM 792 CG2 ILE A 57 63.643 -3.118 2.074 1.00 0.00 C ATOM 793 CD1 ILE A 57 64.738 -3.079 -0.436 1.00 0.00 C ATOM 0 H ILE A 57 60.939 -5.594 0.641 1.00 0.00 H new ATOM 0 HA ILE A 57 63.970 -5.648 0.733 1.00 0.00 H new ATOM 0 HB ILE A 57 61.752 -3.578 1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 57 62.964 -4.102 -1.133 1.00 0.00 H new ATOM 0 HG13 ILE A 57 62.683 -2.440 -0.655 1.00 0.00 H new ATOM 0 HG21 ILE A 57 63.504 -2.040 1.994 1.00 0.00 H new ATOM 0 HG22 ILE A 57 63.329 -3.452 3.063 1.00 0.00 H new ATOM 0 HG23 ILE A 57 64.695 -3.360 1.926 1.00 0.00 H new ATOM 0 HD11 ILE A 57 65.019 -2.745 -1.435 1.00 0.00 H new ATOM 0 HD12 ILE A 57 64.992 -2.307 0.290 1.00 0.00 H new ATOM 0 HD13 ILE A 57 65.277 -3.995 -0.195 1.00 0.00 H new ATOM 805 N SER A 58 64.034 -6.315 3.096 1.00 0.00 N ATOM 806 CA SER A 58 64.055 -6.769 4.518 1.00 0.00 C ATOM 807 C SER A 58 65.445 -6.538 5.122 1.00 0.00 C ATOM 808 O SER A 58 66.438 -6.527 4.423 1.00 0.00 O ATOM 809 CB SER A 58 63.736 -8.263 4.464 1.00 0.00 C ATOM 810 OG SER A 58 62.898 -8.603 5.560 1.00 0.00 O ATOM 0 H SER A 58 64.904 -6.458 2.583 1.00 0.00 H new ATOM 0 HA SER A 58 63.342 -6.224 5.137 1.00 0.00 H new ATOM 0 HB2 SER A 58 63.242 -8.508 3.524 1.00 0.00 H new ATOM 0 HB3 SER A 58 64.657 -8.845 4.501 1.00 0.00 H new ATOM 0 HG SER A 58 62.459 -7.795 5.899 1.00 0.00 H new ATOM 816 N GLY A 59 65.526 -6.356 6.413 1.00 0.00 N ATOM 817 CA GLY A 59 66.859 -6.127 7.046 1.00 0.00 C ATOM 818 C GLY A 59 66.679 -5.639 8.484 1.00 0.00 C ATOM 819 O GLY A 59 66.129 -4.582 8.715 1.00 0.00 O ATOM 0 H GLY A 59 64.733 -6.356 7.054 1.00 0.00 H new ATOM 0 HA2 GLY A 59 67.439 -7.050 7.037 1.00 0.00 H new ATOM 0 HA3 GLY A 59 67.422 -5.391 6.471 1.00 0.00 H new ATOM 823 N PRO A 60 67.171 -6.416 9.413 1.00 0.00 N ATOM 824 CA PRO A 60 67.077 -6.032 10.839 1.00 0.00 C ATOM 825 C PRO A 60 68.033 -4.868 11.125 1.00 0.00 C ATOM 826 O PRO A 60 68.091 -4.350 12.223 1.00 0.00 O ATOM 827 CB PRO A 60 67.505 -7.295 11.582 1.00 0.00 C ATOM 828 CG PRO A 60 68.358 -8.043 10.608 1.00 0.00 C ATOM 829 CD PRO A 60 67.855 -7.701 9.229 1.00 0.00 C ATOM 0 HA PRO A 60 66.084 -5.696 11.137 1.00 0.00 H new ATOM 0 HB2 PRO A 60 68.060 -7.052 12.488 1.00 0.00 H new ATOM 0 HB3 PRO A 60 66.641 -7.886 11.886 1.00 0.00 H new ATOM 0 HG2 PRO A 60 69.405 -7.762 10.717 1.00 0.00 H new ATOM 0 HG3 PRO A 60 68.296 -9.117 10.786 1.00 0.00 H new ATOM 0 HD2 PRO A 60 68.673 -7.619 8.514 1.00 0.00 H new ATOM 0 HD3 PRO A 60 67.176 -8.465 8.850 1.00 0.00 H new ATOM 837 N GLY A 61 68.779 -4.453 10.135 1.00 0.00 N ATOM 838 CA GLY A 61 69.728 -3.324 10.326 1.00 0.00 C ATOM 839 C GLY A 61 70.228 -2.867 8.955 1.00 0.00 C ATOM 840 O GLY A 61 71.344 -2.408 8.810 1.00 0.00 O ATOM 0 H GLY A 61 68.769 -4.853 9.197 1.00 0.00 H new ATOM 0 HA2 GLY A 61 69.236 -2.500 10.843 1.00 0.00 H new ATOM 0 HA3 GLY A 61 70.566 -3.636 10.949 1.00 0.00 H new ATOM 844 N CYS A 62 69.411 -3.002 7.944 1.00 0.00 N ATOM 845 CA CYS A 62 69.837 -2.591 6.576 1.00 0.00 C ATOM 846 C CYS A 62 69.879 -1.065 6.445 1.00 0.00 C ATOM 847 O CYS A 62 69.168 -0.349 7.121 1.00 0.00 O ATOM 848 CB CYS A 62 68.768 -3.174 5.651 1.00 0.00 C ATOM 849 SG CYS A 62 68.912 -2.429 4.008 1.00 0.00 S ATOM 0 H CYS A 62 68.466 -3.380 8.008 1.00 0.00 H new ATOM 0 HA CYS A 62 70.840 -2.946 6.338 1.00 0.00 H new ATOM 0 HB2 CYS A 62 68.884 -4.256 5.582 1.00 0.00 H new ATOM 0 HB3 CYS A 62 67.776 -2.985 6.061 1.00 0.00 H new ATOM 854 N LYS A 63 70.710 -0.572 5.565 1.00 0.00 N ATOM 855 CA LYS A 63 70.811 0.900 5.359 1.00 0.00 C ATOM 856 C LYS A 63 71.090 1.199 3.882 1.00 0.00 C ATOM 857 O LYS A 63 72.169 0.946 3.382 1.00 0.00 O ATOM 858 CB LYS A 63 71.984 1.342 6.232 1.00 0.00 C ATOM 859 CG LYS A 63 71.463 2.186 7.395 1.00 0.00 C ATOM 860 CD LYS A 63 71.683 1.439 8.711 1.00 0.00 C ATOM 861 CE LYS A 63 71.856 2.447 9.849 1.00 0.00 C ATOM 862 NZ LYS A 63 72.033 1.618 11.073 1.00 0.00 N ATOM 0 H LYS A 63 71.327 -1.132 4.976 1.00 0.00 H new ATOM 0 HA LYS A 63 69.893 1.424 5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 63 72.518 0.471 6.611 1.00 0.00 H new ATOM 0 HB3 LYS A 63 72.695 1.918 5.640 1.00 0.00 H new ATOM 0 HG2 LYS A 63 71.978 3.146 7.420 1.00 0.00 H new ATOM 0 HG3 LYS A 63 70.402 2.397 7.258 1.00 0.00 H new ATOM 0 HD2 LYS A 63 70.835 0.785 8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 63 72.565 0.803 8.637 1.00 0.00 H new ATOM 0 HE2 LYS A 63 72.720 3.090 9.679 1.00 0.00 H new ATOM 0 HE3 LYS A 63 70.986 3.098 9.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 72.158 2.239 11.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 71.193 1.021 11.213 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 72.872 1.014 10.965 1.00 0.00 H new ATOM 876 N ILE A 64 70.128 1.730 3.176 1.00 0.00 N ATOM 877 CA ILE A 64 70.343 2.037 1.729 1.00 0.00 C ATOM 878 C ILE A 64 70.673 3.527 1.548 1.00 0.00 C ATOM 879 O ILE A 64 70.674 4.289 2.494 1.00 0.00 O ATOM 880 CB ILE A 64 69.013 1.662 1.057 1.00 0.00 C ATOM 881 CG1 ILE A 64 69.271 1.222 -0.383 1.00 0.00 C ATOM 882 CG2 ILE A 64 68.058 2.859 1.050 1.00 0.00 C ATOM 883 CD1 ILE A 64 68.265 0.137 -0.766 1.00 0.00 C ATOM 0 H ILE A 64 69.203 1.965 3.537 1.00 0.00 H new ATOM 0 HA ILE A 64 71.179 1.490 1.294 1.00 0.00 H new ATOM 0 HB ILE A 64 68.559 0.847 1.620 1.00 0.00 H new ATOM 0 HG12 ILE A 64 69.180 2.073 -1.058 1.00 0.00 H new ATOM 0 HG13 ILE A 64 70.288 0.843 -0.483 1.00 0.00 H new ATOM 0 HG21 ILE A 64 67.122 2.575 0.570 1.00 0.00 H new ATOM 0 HG22 ILE A 64 67.860 3.172 2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 64 68.512 3.683 0.500 1.00 0.00 H new ATOM 0 HD11 ILE A 64 68.445 -0.180 -1.793 1.00 0.00 H new ATOM 0 HD12 ILE A 64 68.378 -0.716 -0.098 1.00 0.00 H new ATOM 0 HD13 ILE A 64 67.253 0.533 -0.681 1.00 0.00 H new ATOM 895 N SER A 65 70.955 3.951 0.344 1.00 0.00 N ATOM 896 CA SER A 65 71.284 5.391 0.129 1.00 0.00 C ATOM 897 C SER A 65 70.905 5.834 -1.288 1.00 0.00 C ATOM 898 O SER A 65 71.752 6.013 -2.140 1.00 0.00 O ATOM 899 CB SER A 65 72.794 5.487 0.330 1.00 0.00 C ATOM 900 OG SER A 65 73.086 6.598 1.167 1.00 0.00 O ATOM 0 H SER A 65 70.972 3.368 -0.493 1.00 0.00 H new ATOM 0 HA SER A 65 70.734 6.037 0.813 1.00 0.00 H new ATOM 0 HB2 SER A 65 73.172 4.569 0.780 1.00 0.00 H new ATOM 0 HB3 SER A 65 73.294 5.600 -0.632 1.00 0.00 H new ATOM 0 HG SER A 65 74.055 6.662 1.300 1.00 0.00 H new ATOM 906 N THR A 66 69.639 6.022 -1.540 1.00 0.00 N ATOM 907 CA THR A 66 69.206 6.469 -2.896 1.00 0.00 C ATOM 908 C THR A 66 69.628 5.456 -3.964 1.00 0.00 C ATOM 909 O THR A 66 70.537 5.695 -4.733 1.00 0.00 O ATOM 910 CB THR A 66 69.916 7.804 -3.117 1.00 0.00 C ATOM 911 OG1 THR A 66 70.294 8.350 -1.861 1.00 0.00 O ATOM 912 CG2 THR A 66 68.976 8.773 -3.835 1.00 0.00 C ATOM 0 H THR A 66 68.885 5.886 -0.867 1.00 0.00 H new ATOM 0 HA THR A 66 68.122 6.561 -2.966 1.00 0.00 H new ATOM 0 HB THR A 66 70.805 7.646 -3.728 1.00 0.00 H new ATOM 0 HG1 THR A 66 70.751 9.206 -2.000 1.00 0.00 H new ATOM 0 HG21 THR A 66 69.484 9.724 -3.992 1.00 0.00 H new ATOM 0 HG22 THR A 66 68.687 8.353 -4.799 1.00 0.00 H new ATOM 0 HG23 THR A 66 68.085 8.933 -3.227 1.00 0.00 H new ATOM 920 N CYS A 67 68.971 4.331 -4.024 1.00 0.00 N ATOM 921 CA CYS A 67 69.337 3.313 -5.053 1.00 0.00 C ATOM 922 C CYS A 67 68.364 3.380 -6.234 1.00 0.00 C ATOM 923 O CYS A 67 67.473 4.206 -6.270 1.00 0.00 O ATOM 924 CB CYS A 67 69.231 1.967 -4.339 1.00 0.00 C ATOM 925 SG CYS A 67 70.534 1.848 -3.089 1.00 0.00 S ATOM 0 H CYS A 67 68.200 4.072 -3.409 1.00 0.00 H new ATOM 0 HA CYS A 67 70.335 3.477 -5.458 1.00 0.00 H new ATOM 0 HB2 CYS A 67 68.252 1.867 -3.871 1.00 0.00 H new ATOM 0 HB3 CYS A 67 69.325 1.153 -5.058 1.00 0.00 H new ATOM 930 N ILE A 68 68.533 2.524 -7.204 1.00 0.00 N ATOM 931 CA ILE A 68 67.623 2.547 -8.387 1.00 0.00 C ATOM 932 C ILE A 68 66.410 1.639 -8.154 1.00 0.00 C ATOM 933 O ILE A 68 66.264 1.036 -7.109 1.00 0.00 O ATOM 934 CB ILE A 68 68.477 2.029 -9.548 1.00 0.00 C ATOM 935 CG1 ILE A 68 67.854 2.471 -10.873 1.00 0.00 C ATOM 936 CG2 ILE A 68 68.551 0.501 -9.507 1.00 0.00 C ATOM 937 CD1 ILE A 68 68.936 3.077 -11.765 1.00 0.00 C ATOM 0 H ILE A 68 69.261 1.810 -7.230 1.00 0.00 H new ATOM 0 HA ILE A 68 67.227 3.543 -8.583 1.00 0.00 H new ATOM 0 HB ILE A 68 69.484 2.437 -9.458 1.00 0.00 H new ATOM 0 HG12 ILE A 68 67.391 1.620 -11.372 1.00 0.00 H new ATOM 0 HG13 ILE A 68 67.066 3.202 -10.691 1.00 0.00 H new ATOM 0 HG21 ILE A 68 69.161 0.144 -10.337 1.00 0.00 H new ATOM 0 HG22 ILE A 68 68.999 0.184 -8.565 1.00 0.00 H new ATOM 0 HG23 ILE A 68 67.547 0.086 -9.590 1.00 0.00 H new ATOM 0 HD11 ILE A 68 68.494 3.393 -12.710 1.00 0.00 H new ATOM 0 HD12 ILE A 68 69.379 3.939 -11.266 1.00 0.00 H new ATOM 0 HD13 ILE A 68 69.709 2.332 -11.957 1.00 0.00 H new ATOM 949 N ILE A 69 65.541 1.541 -9.124 1.00 0.00 N ATOM 950 CA ILE A 69 64.333 0.676 -8.969 1.00 0.00 C ATOM 951 C ILE A 69 64.735 -0.724 -8.503 1.00 0.00 C ATOM 952 O ILE A 69 65.884 -0.986 -8.208 1.00 0.00 O ATOM 953 CB ILE A 69 63.695 0.622 -10.359 1.00 0.00 C ATOM 954 CG1 ILE A 69 64.782 0.437 -11.420 1.00 0.00 C ATOM 955 CG2 ILE A 69 62.948 1.930 -10.625 1.00 0.00 C ATOM 956 CD1 ILE A 69 64.154 -0.118 -12.701 1.00 0.00 C ATOM 0 H ILE A 69 65.615 2.023 -10.020 1.00 0.00 H new ATOM 0 HA ILE A 69 63.642 1.068 -8.223 1.00 0.00 H new ATOM 0 HB ILE A 69 62.999 -0.216 -10.404 1.00 0.00 H new ATOM 0 HG12 ILE A 69 65.271 1.389 -11.625 1.00 0.00 H new ATOM 0 HG13 ILE A 69 65.550 -0.244 -11.054 1.00 0.00 H new ATOM 0 HG21 ILE A 69 62.493 1.894 -11.615 1.00 0.00 H new ATOM 0 HG22 ILE A 69 62.171 2.065 -9.873 1.00 0.00 H new ATOM 0 HG23 ILE A 69 63.647 2.765 -10.578 1.00 0.00 H new ATOM 0 HD11 ILE A 69 64.927 -0.250 -13.458 1.00 0.00 H new ATOM 0 HD12 ILE A 69 63.685 -1.079 -12.490 1.00 0.00 H new ATOM 0 HD13 ILE A 69 63.402 0.580 -13.069 1.00 0.00 H new ATOM 968 N THR A 70 63.793 -1.625 -8.422 1.00 0.00 N ATOM 969 CA THR A 70 64.121 -3.004 -7.960 1.00 0.00 C ATOM 970 C THR A 70 63.309 -4.045 -8.741 1.00 0.00 C ATOM 971 O THR A 70 63.004 -3.865 -9.903 1.00 0.00 O ATOM 972 CB THR A 70 63.738 -3.016 -6.480 1.00 0.00 C ATOM 973 OG1 THR A 70 63.893 -1.709 -5.944 1.00 0.00 O ATOM 974 CG2 THR A 70 64.643 -3.990 -5.722 1.00 0.00 C ATOM 0 H THR A 70 62.813 -1.466 -8.655 1.00 0.00 H new ATOM 0 HA THR A 70 65.170 -3.254 -8.116 1.00 0.00 H new ATOM 0 HB THR A 70 62.701 -3.334 -6.376 1.00 0.00 H new ATOM 0 HG1 THR A 70 64.750 -1.648 -5.473 1.00 0.00 H new ATOM 0 HG21 THR A 70 64.368 -3.997 -4.667 1.00 0.00 H new ATOM 0 HG22 THR A 70 64.525 -4.992 -6.134 1.00 0.00 H new ATOM 0 HG23 THR A 70 65.682 -3.676 -5.824 1.00 0.00 H new ATOM 982 N GLY A 71 62.972 -5.139 -8.111 1.00 0.00 N ATOM 983 CA GLY A 71 62.197 -6.203 -8.815 1.00 0.00 C ATOM 984 C GLY A 71 63.076 -7.442 -8.959 1.00 0.00 C ATOM 985 O GLY A 71 63.013 -8.154 -9.943 1.00 0.00 O ATOM 0 H GLY A 71 63.200 -5.342 -7.138 1.00 0.00 H new ATOM 0 HA2 GLY A 71 61.294 -6.445 -8.255 1.00 0.00 H new ATOM 0 HA3 GLY A 71 61.879 -5.851 -9.796 1.00 0.00 H new ATOM 989 N GLY A 72 63.908 -7.699 -7.987 1.00 0.00 N ATOM 990 CA GLY A 72 64.806 -8.881 -8.066 1.00 0.00 C ATOM 991 C GLY A 72 65.981 -8.535 -8.974 1.00 0.00 C ATOM 992 O GLY A 72 66.487 -9.364 -9.703 1.00 0.00 O ATOM 0 H GLY A 72 64.003 -7.139 -7.140 1.00 0.00 H new ATOM 0 HA2 GLY A 72 65.162 -9.153 -7.072 1.00 0.00 H new ATOM 0 HA3 GLY A 72 64.265 -9.742 -8.458 1.00 0.00 H new ATOM 996 N VAL A 73 66.409 -7.303 -8.943 1.00 0.00 N ATOM 997 CA VAL A 73 67.542 -6.883 -9.815 1.00 0.00 C ATOM 998 C VAL A 73 68.727 -6.404 -8.970 1.00 0.00 C ATOM 999 O VAL A 73 68.772 -5.266 -8.545 1.00 0.00 O ATOM 1000 CB VAL A 73 66.970 -5.741 -10.654 1.00 0.00 C ATOM 1001 CG1 VAL A 73 65.904 -6.292 -11.602 1.00 0.00 C ATOM 1002 CG2 VAL A 73 66.333 -4.701 -9.730 1.00 0.00 C ATOM 0 H VAL A 73 66.022 -6.568 -8.351 1.00 0.00 H new ATOM 0 HA VAL A 73 67.921 -7.699 -10.431 1.00 0.00 H new ATOM 0 HB VAL A 73 67.770 -5.278 -11.231 1.00 0.00 H new ATOM 0 HG11 VAL A 73 65.495 -5.479 -12.201 1.00 0.00 H new ATOM 0 HG12 VAL A 73 66.352 -7.037 -12.259 1.00 0.00 H new ATOM 0 HG13 VAL A 73 65.105 -6.753 -11.022 1.00 0.00 H new ATOM 0 HG21 VAL A 73 65.924 -3.886 -10.327 1.00 0.00 H new ATOM 0 HG22 VAL A 73 65.532 -5.167 -9.155 1.00 0.00 H new ATOM 0 HG23 VAL A 73 67.088 -4.309 -9.048 1.00 0.00 H new ATOM 1012 N PRO A 74 69.651 -7.300 -8.754 1.00 0.00 N ATOM 1013 CA PRO A 74 70.856 -6.984 -7.951 1.00 0.00 C ATOM 1014 C PRO A 74 71.885 -6.215 -8.783 1.00 0.00 C ATOM 1015 O PRO A 74 72.361 -5.171 -8.382 1.00 0.00 O ATOM 1016 CB PRO A 74 71.398 -8.356 -7.573 1.00 0.00 C ATOM 1017 CG PRO A 74 70.899 -9.290 -8.633 1.00 0.00 C ATOM 1018 CD PRO A 74 69.653 -8.684 -9.235 1.00 0.00 C ATOM 0 HA PRO A 74 70.634 -6.354 -7.089 1.00 0.00 H new ATOM 0 HB2 PRO A 74 72.487 -8.351 -7.536 1.00 0.00 H new ATOM 0 HB3 PRO A 74 71.047 -8.658 -6.586 1.00 0.00 H new ATOM 0 HG2 PRO A 74 71.660 -9.439 -9.399 1.00 0.00 H new ATOM 0 HG3 PRO A 74 70.680 -10.269 -8.207 1.00 0.00 H new ATOM 0 HD2 PRO A 74 69.677 -8.726 -10.324 1.00 0.00 H new ATOM 0 HD3 PRO A 74 68.758 -9.217 -8.915 1.00 0.00 H new ATOM 1026 N ALA A 75 72.241 -6.731 -9.930 1.00 0.00 N ATOM 1027 CA ALA A 75 73.251 -6.043 -10.789 1.00 0.00 C ATOM 1028 C ALA A 75 73.063 -4.524 -10.738 1.00 0.00 C ATOM 1029 O ALA A 75 73.992 -3.794 -10.460 1.00 0.00 O ATOM 1030 CB ALA A 75 72.998 -6.567 -12.200 1.00 0.00 C ATOM 0 H ALA A 75 71.874 -7.603 -10.311 1.00 0.00 H new ATOM 0 HA ALA A 75 74.269 -6.241 -10.455 1.00 0.00 H new ATOM 0 HB1 ALA A 75 73.704 -6.106 -12.891 1.00 0.00 H new ATOM 0 HB2 ALA A 75 73.129 -7.649 -12.215 1.00 0.00 H new ATOM 0 HB3 ALA A 75 71.980 -6.321 -12.503 1.00 0.00 H new ATOM 1036 N PRO A 76 71.861 -4.097 -11.009 1.00 0.00 N ATOM 1037 CA PRO A 76 71.553 -2.649 -10.991 1.00 0.00 C ATOM 1038 C PRO A 76 71.464 -2.145 -9.549 1.00 0.00 C ATOM 1039 O PRO A 76 71.320 -2.916 -8.620 1.00 0.00 O ATOM 1040 CB PRO A 76 70.199 -2.559 -11.685 1.00 0.00 C ATOM 1041 CG PRO A 76 69.572 -3.903 -11.490 1.00 0.00 C ATOM 1042 CD PRO A 76 70.689 -4.908 -11.352 1.00 0.00 C ATOM 0 HA PRO A 76 72.314 -2.041 -11.480 1.00 0.00 H new ATOM 0 HB2 PRO A 76 69.585 -1.770 -11.250 1.00 0.00 H new ATOM 0 HB3 PRO A 76 70.313 -2.327 -12.744 1.00 0.00 H new ATOM 0 HG2 PRO A 76 68.941 -3.907 -10.601 1.00 0.00 H new ATOM 0 HG3 PRO A 76 68.932 -4.154 -12.336 1.00 0.00 H new ATOM 0 HD2 PRO A 76 70.471 -5.642 -10.576 1.00 0.00 H new ATOM 0 HD3 PRO A 76 70.844 -5.461 -12.279 1.00 0.00 H new ATOM 1050 N SER A 77 71.558 -0.856 -9.360 1.00 0.00 N ATOM 1051 CA SER A 77 71.491 -0.277 -7.983 1.00 0.00 C ATOM 1052 C SER A 77 72.800 -0.532 -7.231 1.00 0.00 C ATOM 1053 O SER A 77 73.005 -0.030 -6.148 1.00 0.00 O ATOM 1054 CB SER A 77 70.324 -0.976 -7.284 1.00 0.00 C ATOM 1055 OG SER A 77 69.417 0.000 -6.793 1.00 0.00 O ATOM 0 H SER A 77 71.679 -0.172 -10.107 1.00 0.00 H new ATOM 0 HA SER A 77 71.345 0.803 -8.012 1.00 0.00 H new ATOM 0 HB2 SER A 77 69.816 -1.644 -7.980 1.00 0.00 H new ATOM 0 HB3 SER A 77 70.693 -1.591 -6.463 1.00 0.00 H new ATOM 0 HG SER A 77 68.746 -0.433 -6.225 1.00 0.00 H new ATOM 1061 N ALA A 78 73.699 -1.290 -7.799 1.00 0.00 N ATOM 1062 CA ALA A 78 74.992 -1.535 -7.104 1.00 0.00 C ATOM 1063 C ALA A 78 75.799 -0.233 -7.079 1.00 0.00 C ATOM 1064 O ALA A 78 76.830 -0.137 -6.444 1.00 0.00 O ATOM 1065 CB ALA A 78 75.701 -2.602 -7.939 1.00 0.00 C ATOM 0 H ALA A 78 73.595 -1.746 -8.706 1.00 0.00 H new ATOM 0 HA ALA A 78 74.866 -1.863 -6.072 1.00 0.00 H new ATOM 0 HB1 ALA A 78 76.665 -2.836 -7.488 1.00 0.00 H new ATOM 0 HB2 ALA A 78 75.089 -3.503 -7.974 1.00 0.00 H new ATOM 0 HB3 ALA A 78 75.855 -2.229 -8.951 1.00 0.00 H new ATOM 1071 N ALA A 79 75.323 0.771 -7.769 1.00 0.00 N ATOM 1072 CA ALA A 79 76.037 2.075 -7.801 1.00 0.00 C ATOM 1073 C ALA A 79 75.735 2.868 -6.526 1.00 0.00 C ATOM 1074 O ALA A 79 76.573 3.588 -6.018 1.00 0.00 O ATOM 1075 CB ALA A 79 75.465 2.791 -9.024 1.00 0.00 C ATOM 0 H ALA A 79 74.462 0.739 -8.315 1.00 0.00 H new ATOM 0 HA ALA A 79 77.120 1.962 -7.856 1.00 0.00 H new ATOM 0 HB1 ALA A 79 75.937 3.768 -9.127 1.00 0.00 H new ATOM 0 HB2 ALA A 79 75.660 2.198 -9.917 1.00 0.00 H new ATOM 0 HB3 ALA A 79 74.389 2.918 -8.901 1.00 0.00 H new ATOM 1081 N CYS A 80 74.546 2.734 -6.004 1.00 0.00 N ATOM 1082 CA CYS A 80 74.191 3.473 -4.760 1.00 0.00 C ATOM 1083 C CYS A 80 74.890 2.827 -3.562 1.00 0.00 C ATOM 1084 O CYS A 80 75.840 2.085 -3.714 1.00 0.00 O ATOM 1085 CB CYS A 80 72.670 3.341 -4.637 1.00 0.00 C ATOM 1086 SG CYS A 80 72.237 1.649 -4.155 1.00 0.00 S ATOM 0 H CYS A 80 73.806 2.145 -6.385 1.00 0.00 H new ATOM 0 HA CYS A 80 74.501 4.518 -4.789 1.00 0.00 H new ATOM 0 HB2 CYS A 80 72.293 4.047 -3.897 1.00 0.00 H new ATOM 0 HB3 CYS A 80 72.196 3.591 -5.586 1.00 0.00 H new ATOM 1091 N LYS A 81 74.426 3.093 -2.375 1.00 0.00 N ATOM 1092 CA LYS A 81 75.069 2.482 -1.179 1.00 0.00 C ATOM 1093 C LYS A 81 74.082 1.557 -0.461 1.00 0.00 C ATOM 1094 O LYS A 81 72.958 1.924 -0.185 1.00 0.00 O ATOM 1095 CB LYS A 81 75.457 3.660 -0.288 1.00 0.00 C ATOM 1096 CG LYS A 81 76.943 3.969 -0.478 1.00 0.00 C ATOM 1097 CD LYS A 81 77.224 4.254 -1.957 1.00 0.00 C ATOM 1098 CE LYS A 81 78.001 3.085 -2.568 1.00 0.00 C ATOM 1099 NZ LYS A 81 79.430 3.383 -2.281 1.00 0.00 N ATOM 0 H LYS A 81 73.633 3.704 -2.180 1.00 0.00 H new ATOM 0 HA LYS A 81 75.935 1.874 -1.441 1.00 0.00 H new ATOM 0 HB2 LYS A 81 74.857 4.534 -0.540 1.00 0.00 H new ATOM 0 HB3 LYS A 81 75.253 3.423 0.756 1.00 0.00 H new ATOM 0 HG2 LYS A 81 77.226 4.829 0.129 1.00 0.00 H new ATOM 0 HG3 LYS A 81 77.546 3.127 -0.139 1.00 0.00 H new ATOM 0 HD2 LYS A 81 76.287 4.401 -2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 81 77.796 5.176 -2.057 1.00 0.00 H new ATOM 0 HE2 LYS A 81 77.699 2.136 -2.126 1.00 0.00 H new ATOM 0 HE3 LYS A 81 77.821 3.009 -3.640 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 80.027 2.625 -2.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 79.691 4.289 -2.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 79.572 3.443 -1.253 1.00 0.00 H new ATOM 1113 N ILE A 82 74.501 0.357 -0.163 1.00 0.00 N ATOM 1114 CA ILE A 82 73.598 -0.604 0.532 1.00 0.00 C ATOM 1115 C ILE A 82 74.408 -1.444 1.526 1.00 0.00 C ATOM 1116 O ILE A 82 75.564 -1.744 1.294 1.00 0.00 O ATOM 1117 CB ILE A 82 73.031 -1.479 -0.587 1.00 0.00 C ATOM 1118 CG1 ILE A 82 71.874 -2.322 -0.046 1.00 0.00 C ATOM 1119 CG2 ILE A 82 74.125 -2.402 -1.126 1.00 0.00 C ATOM 1120 CD1 ILE A 82 70.548 -1.724 -0.519 1.00 0.00 C ATOM 0 H ILE A 82 75.433 -0.000 -0.372 1.00 0.00 H new ATOM 0 HA ILE A 82 72.808 -0.112 1.100 1.00 0.00 H new ATOM 0 HB ILE A 82 72.669 -0.839 -1.392 1.00 0.00 H new ATOM 0 HG12 ILE A 82 71.966 -3.351 -0.392 1.00 0.00 H new ATOM 0 HG13 ILE A 82 71.906 -2.348 1.043 1.00 0.00 H new ATOM 0 HG21 ILE A 82 73.717 -3.024 -1.923 1.00 0.00 H new ATOM 0 HG22 ILE A 82 74.946 -1.802 -1.518 1.00 0.00 H new ATOM 0 HG23 ILE A 82 74.493 -3.039 -0.321 1.00 0.00 H new ATOM 0 HD11 ILE A 82 69.722 -2.322 -0.135 1.00 0.00 H new ATOM 0 HD12 ILE A 82 70.458 -0.702 -0.151 1.00 0.00 H new ATOM 0 HD13 ILE A 82 70.518 -1.721 -1.609 1.00 0.00 H new ATOM 1132 N SER A 83 73.827 -1.820 2.637 1.00 0.00 N ATOM 1133 CA SER A 83 74.594 -2.628 3.630 1.00 0.00 C ATOM 1134 C SER A 83 73.656 -3.427 4.540 1.00 0.00 C ATOM 1135 O SER A 83 72.654 -2.928 5.016 1.00 0.00 O ATOM 1136 CB SER A 83 75.380 -1.603 4.447 1.00 0.00 C ATOM 1137 OG SER A 83 76.553 -2.216 4.965 1.00 0.00 O ATOM 0 H SER A 83 72.864 -1.605 2.897 1.00 0.00 H new ATOM 0 HA SER A 83 75.240 -3.357 3.141 1.00 0.00 H new ATOM 0 HB2 SER A 83 75.647 -0.750 3.823 1.00 0.00 H new ATOM 0 HB3 SER A 83 74.765 -1.221 5.262 1.00 0.00 H new ATOM 0 HG SER A 83 77.061 -1.561 5.488 1.00 0.00 H new ATOM 1143 N GLY A 84 73.987 -4.665 4.792 1.00 0.00 N ATOM 1144 CA GLY A 84 73.138 -5.511 5.678 1.00 0.00 C ATOM 1145 C GLY A 84 71.688 -5.482 5.199 1.00 0.00 C ATOM 1146 O GLY A 84 70.805 -5.047 5.908 1.00 0.00 O ATOM 0 H GLY A 84 74.815 -5.129 4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 84 73.508 -6.536 5.679 1.00 0.00 H new ATOM 0 HA3 GLY A 84 73.197 -5.150 6.705 1.00 0.00 H new ATOM 1150 N CYS A 85 71.427 -5.944 4.007 1.00 0.00 N ATOM 1151 CA CYS A 85 70.022 -5.933 3.506 1.00 0.00 C ATOM 1152 C CYS A 85 69.668 -7.260 2.832 1.00 0.00 C ATOM 1153 O CYS A 85 70.519 -8.081 2.552 1.00 0.00 O ATOM 1154 CB CYS A 85 69.969 -4.799 2.486 1.00 0.00 C ATOM 1155 SG CYS A 85 70.575 -3.272 3.240 1.00 0.00 S ATOM 0 H CYS A 85 72.119 -6.326 3.362 1.00 0.00 H new ATOM 0 HA CYS A 85 69.310 -5.794 4.320 1.00 0.00 H new ATOM 0 HB2 CYS A 85 70.575 -5.051 1.616 1.00 0.00 H new ATOM 0 HB3 CYS A 85 68.947 -4.661 2.134 1.00 0.00 H new ATOM 1160 N THR A 86 68.407 -7.461 2.560 1.00 0.00 N ATOM 1161 CA THR A 86 67.959 -8.715 1.893 1.00 0.00 C ATOM 1162 C THR A 86 66.849 -8.385 0.896 1.00 0.00 C ATOM 1163 O THR A 86 65.847 -7.793 1.248 1.00 0.00 O ATOM 1164 CB THR A 86 67.420 -9.592 3.024 1.00 0.00 C ATOM 1165 OG1 THR A 86 68.080 -9.255 4.236 1.00 0.00 O ATOM 1166 CG2 THR A 86 67.669 -11.065 2.695 1.00 0.00 C ATOM 0 H THR A 86 67.660 -6.801 2.775 1.00 0.00 H new ATOM 0 HA THR A 86 68.758 -9.213 1.344 1.00 0.00 H new ATOM 0 HB THR A 86 66.349 -9.426 3.135 1.00 0.00 H new ATOM 0 HG1 THR A 86 67.735 -9.815 4.963 1.00 0.00 H new ATOM 0 HG21 THR A 86 67.284 -11.688 3.502 1.00 0.00 H new ATOM 0 HG22 THR A 86 67.161 -11.321 1.765 1.00 0.00 H new ATOM 0 HG23 THR A 86 68.740 -11.237 2.583 1.00 0.00 H new ATOM 1174 N PHE A 87 67.013 -8.742 -0.348 1.00 0.00 N ATOM 1175 CA PHE A 87 65.953 -8.417 -1.343 1.00 0.00 C ATOM 1176 C PHE A 87 65.509 -9.661 -2.115 1.00 0.00 C ATOM 1177 O PHE A 87 66.204 -10.656 -2.177 1.00 0.00 O ATOM 1178 CB PHE A 87 66.591 -7.406 -2.296 1.00 0.00 C ATOM 1179 CG PHE A 87 67.287 -6.319 -1.510 1.00 0.00 C ATOM 1180 CD1 PHE A 87 66.639 -5.698 -0.432 1.00 0.00 C ATOM 1181 CD2 PHE A 87 68.582 -5.925 -1.869 1.00 0.00 C ATOM 1182 CE1 PHE A 87 67.291 -4.687 0.284 1.00 0.00 C ATOM 1183 CE2 PHE A 87 69.230 -4.913 -1.153 1.00 0.00 C ATOM 1184 CZ PHE A 87 68.585 -4.295 -0.077 1.00 0.00 C ATOM 0 H PHE A 87 67.825 -9.239 -0.715 1.00 0.00 H new ATOM 0 HA PHE A 87 65.062 -8.024 -0.854 1.00 0.00 H new ATOM 0 HB2 PHE A 87 67.306 -7.909 -2.947 1.00 0.00 H new ATOM 0 HB3 PHE A 87 65.827 -6.968 -2.939 1.00 0.00 H new ATOM 0 HD1 PHE A 87 65.639 -5.999 -0.155 1.00 0.00 H new ATOM 0 HD2 PHE A 87 69.081 -6.403 -2.699 1.00 0.00 H new ATOM 0 HE1 PHE A 87 66.795 -4.209 1.116 1.00 0.00 H new ATOM 0 HE2 PHE A 87 70.228 -4.609 -1.431 1.00 0.00 H new ATOM 0 HZ PHE A 87 69.086 -3.514 0.476 1.00 0.00 H new ATOM 1194 N SER A 88 64.350 -9.596 -2.713 1.00 0.00 N ATOM 1195 CA SER A 88 63.826 -10.750 -3.500 1.00 0.00 C ATOM 1196 C SER A 88 62.639 -10.279 -4.345 1.00 0.00 C ATOM 1197 O SER A 88 61.730 -9.653 -3.842 1.00 0.00 O ATOM 1198 CB SER A 88 63.374 -11.776 -2.462 1.00 0.00 C ATOM 1199 OG SER A 88 62.044 -11.479 -2.056 1.00 0.00 O ATOM 0 H SER A 88 63.736 -8.782 -2.689 1.00 0.00 H new ATOM 0 HA SER A 88 64.569 -11.173 -4.176 1.00 0.00 H new ATOM 0 HB2 SER A 88 63.423 -12.781 -2.882 1.00 0.00 H new ATOM 0 HB3 SER A 88 64.042 -11.758 -1.601 1.00 0.00 H new ATOM 0 HG SER A 88 61.538 -12.312 -1.959 1.00 0.00 H new ATOM 1205 N ALA A 89 62.650 -10.561 -5.626 1.00 0.00 N ATOM 1206 CA ALA A 89 61.528 -10.115 -6.511 1.00 0.00 C ATOM 1207 C ALA A 89 60.195 -10.144 -5.759 1.00 0.00 C ATOM 1208 O ALA A 89 59.944 -11.015 -4.948 1.00 0.00 O ATOM 1209 CB ALA A 89 61.517 -11.107 -7.672 1.00 0.00 C ATOM 0 H ALA A 89 63.389 -11.082 -6.097 1.00 0.00 H new ATOM 0 HA ALA A 89 61.664 -9.089 -6.853 1.00 0.00 H new ATOM 0 HB1 ALA A 89 60.719 -10.846 -8.366 1.00 0.00 H new ATOM 0 HB2 ALA A 89 62.475 -11.071 -8.190 1.00 0.00 H new ATOM 0 HB3 ALA A 89 61.349 -12.114 -7.289 1.00 0.00 H new ATOM 1215 N ASN A 90 59.345 -9.187 -6.012 1.00 0.00 N ATOM 1216 CA ASN A 90 58.034 -9.139 -5.305 1.00 0.00 C ATOM 1217 C ASN A 90 56.916 -8.786 -6.292 1.00 0.00 C ATOM 1218 O ASN A 90 56.714 -7.606 -6.530 1.00 0.00 O ATOM 1219 CB ASN A 90 58.212 -8.037 -4.252 1.00 0.00 C ATOM 1220 CG ASN A 90 56.852 -7.454 -3.857 1.00 0.00 C ATOM 1221 OD1 ASN A 90 56.638 -6.263 -3.956 1.00 0.00 O ATOM 1222 ND2 ASN A 90 55.919 -8.248 -3.410 1.00 0.00 N ATOM 1223 OXT ASN A 90 56.282 -9.699 -6.790 1.00 0.00 O ATOM 0 H ASN A 90 59.503 -8.433 -6.681 1.00 0.00 H new ATOM 0 HA ASN A 90 57.757 -10.092 -4.855 1.00 0.00 H new ATOM 0 HB2 ASN A 90 58.711 -8.443 -3.372 1.00 0.00 H new ATOM 0 HB3 ASN A 90 58.853 -7.248 -4.646 1.00 0.00 H new ATOM 0 HD21 ASN A 90 55.010 -7.868 -3.144 1.00 0.00 H new ATOM 0 HD22 ASN A 90 56.098 -9.249 -3.326 1.00 0.00 H new TER 1230 ASN A 90