USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 395 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 41 ASN : amide:sc= 0 K(o=-3.7,f=-4.3) USER MOD Set 1.2: A 42 ASN :FLIP amide:sc= -3.67! C(o=-5.6!,f=-3.7!) USER MOD Set 2.1: A 40 CYS SG : rot -88:sc= -5.87! USER MOD Set 2.2: A 50 MET CE :methyl -129:sc= -4.61! (180deg=-2.64!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 49:sc= 0.88 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 GLN : amide:sc=-0.00335 X(o=-0.0034,f=0) USER MOD Single : A 21 GLN : amide:sc= -0.0161 X(o=-0.016,f=-0.082) USER MOD Single : A 23 THR OG1 : rot -77:sc= -0.152 USER MOD Single : A 24 THR OG1 : rot 93:sc= 0.43 USER MOD Single : A 26 THR OG1 : rot -66:sc= 0.866! USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00543 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 HIS : no HD1:sc= -0.125 X(o=-0.12,f=-0.0013) USER MOD Single : A 36 MET CE :methyl 168:sc= -1.56 (180deg=-2.57) USER MOD Single : A 43 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 MET CE :methyl 178:sc= -2.17! (180deg=-2.23!) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 25:sc= 0.0889 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -8.731 -11.851 8.227 1.00 0.00 N ATOM 2 CA GLY A 1 -9.595 -10.757 8.638 1.00 0.00 C ATOM 3 C GLY A 1 -9.401 -9.536 7.737 1.00 0.00 C ATOM 4 O GLY A 1 -8.303 -8.987 7.658 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.882 -12.667 8.854 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.955 -12.121 7.248 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.737 -11.549 8.285 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.636 -11.078 8.602 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.380 -10.488 9.672 1.00 0.00 H new ATOM 8 N SER A 2 -10.484 -9.147 7.081 1.00 0.00 N ATOM 9 CA SER A 2 -10.447 -8.001 6.188 1.00 0.00 C ATOM 10 C SER A 2 -11.849 -7.715 5.645 1.00 0.00 C ATOM 11 O SER A 2 -12.643 -8.634 5.453 1.00 0.00 O ATOM 12 CB SER A 2 -9.468 -8.232 5.036 1.00 0.00 C ATOM 13 OG SER A 2 -9.120 -7.016 4.379 1.00 0.00 O ATOM 0 H SER A 2 -11.393 -9.605 7.150 1.00 0.00 H new ATOM 0 HA SER A 2 -10.101 -7.137 6.755 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.565 -8.709 5.418 1.00 0.00 H new ATOM 0 HB3 SER A 2 -9.912 -8.919 4.316 1.00 0.00 H new ATOM 0 HG SER A 2 -8.492 -7.206 3.651 1.00 0.00 H new ATOM 19 N SER A 3 -12.109 -6.437 5.413 1.00 0.00 N ATOM 20 CA SER A 3 -13.401 -6.019 4.895 1.00 0.00 C ATOM 21 C SER A 3 -13.257 -5.549 3.447 1.00 0.00 C ATOM 22 O SER A 3 -12.159 -5.214 3.005 1.00 0.00 O ATOM 23 CB SER A 3 -14.005 -4.908 5.756 1.00 0.00 C ATOM 24 OG SER A 3 -15.300 -5.253 6.242 1.00 0.00 O ATOM 0 H SER A 3 -11.448 -5.677 5.574 1.00 0.00 H new ATOM 0 HA SER A 3 -14.076 -6.874 4.927 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.345 -4.703 6.598 1.00 0.00 H new ATOM 0 HB3 SER A 3 -14.070 -3.991 5.171 1.00 0.00 H new ATOM 0 HG SER A 3 -15.651 -4.519 6.788 1.00 0.00 H new ATOM 30 N GLY A 4 -14.382 -5.539 2.747 1.00 0.00 N ATOM 31 CA GLY A 4 -14.395 -5.115 1.357 1.00 0.00 C ATOM 32 C GLY A 4 -15.105 -3.769 1.201 1.00 0.00 C ATOM 33 O GLY A 4 -16.134 -3.529 1.830 1.00 0.00 O ATOM 0 H GLY A 4 -15.291 -5.818 3.116 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.373 -5.036 0.988 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -14.896 -5.867 0.748 1.00 0.00 H new ATOM 37 N SER A 5 -14.527 -2.926 0.358 1.00 0.00 N ATOM 38 CA SER A 5 -15.091 -1.610 0.111 1.00 0.00 C ATOM 39 C SER A 5 -15.403 -1.445 -1.378 1.00 0.00 C ATOM 40 O SER A 5 -14.493 -1.326 -2.197 1.00 0.00 O ATOM 41 CB SER A 5 -14.140 -0.506 0.579 1.00 0.00 C ATOM 42 OG SER A 5 -14.764 0.378 1.506 1.00 0.00 O ATOM 0 H SER A 5 -13.674 -3.129 -0.163 1.00 0.00 H new ATOM 0 HA SER A 5 -16.016 -1.522 0.682 1.00 0.00 H new ATOM 0 HB2 SER A 5 -13.262 -0.956 1.042 1.00 0.00 H new ATOM 0 HB3 SER A 5 -13.790 0.061 -0.284 1.00 0.00 H new ATOM 0 HG SER A 5 -14.124 1.067 1.782 1.00 0.00 H new ATOM 48 N SER A 6 -16.692 -1.444 -1.683 1.00 0.00 N ATOM 49 CA SER A 6 -17.136 -1.297 -3.059 1.00 0.00 C ATOM 50 C SER A 6 -17.758 0.086 -3.262 1.00 0.00 C ATOM 51 O SER A 6 -18.977 0.239 -3.195 1.00 0.00 O ATOM 52 CB SER A 6 -18.138 -2.390 -3.435 1.00 0.00 C ATOM 53 OG SER A 6 -19.320 -2.326 -2.643 1.00 0.00 O ATOM 0 H SER A 6 -17.444 -1.543 -1.001 1.00 0.00 H new ATOM 0 HA SER A 6 -16.268 -1.398 -3.711 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.402 -2.293 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 6 -17.672 -3.367 -3.312 1.00 0.00 H new ATOM 0 HG SER A 6 -19.654 -1.405 -2.628 1.00 0.00 H new ATOM 59 N GLY A 7 -16.892 1.059 -3.507 1.00 0.00 N ATOM 60 CA GLY A 7 -17.342 2.424 -3.721 1.00 0.00 C ATOM 61 C GLY A 7 -17.339 3.214 -2.410 1.00 0.00 C ATOM 62 O GLY A 7 -17.696 2.682 -1.360 1.00 0.00 O ATOM 0 H GLY A 7 -15.882 0.929 -3.562 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -16.694 2.915 -4.447 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.347 2.418 -4.144 1.00 0.00 H new ATOM 66 N GLY A 8 -16.932 4.471 -2.515 1.00 0.00 N ATOM 67 CA GLY A 8 -16.877 5.339 -1.351 1.00 0.00 C ATOM 68 C GLY A 8 -15.613 6.200 -1.368 1.00 0.00 C ATOM 69 O GLY A 8 -14.803 6.103 -2.289 1.00 0.00 O ATOM 0 H GLY A 8 -16.637 4.909 -3.388 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -17.758 5.981 -1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -16.899 4.737 -0.443 1.00 0.00 H new ATOM 73 N SER A 9 -15.483 7.024 -0.338 1.00 0.00 N ATOM 74 CA SER A 9 -14.330 7.901 -0.223 1.00 0.00 C ATOM 75 C SER A 9 -13.173 7.160 0.449 1.00 0.00 C ATOM 76 O SER A 9 -13.394 6.284 1.283 1.00 0.00 O ATOM 77 CB SER A 9 -14.678 9.167 0.563 1.00 0.00 C ATOM 78 OG SER A 9 -15.119 8.870 1.885 1.00 0.00 O ATOM 0 H SER A 9 -16.157 7.103 0.424 1.00 0.00 H new ATOM 0 HA SER A 9 -14.026 8.200 -1.226 1.00 0.00 H new ATOM 0 HB2 SER A 9 -13.804 9.817 0.610 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.457 9.718 0.036 1.00 0.00 H new ATOM 0 HG SER A 9 -15.330 9.704 2.355 1.00 0.00 H new ATOM 84 N ALA A 10 -11.964 7.540 0.061 1.00 0.00 N ATOM 85 CA ALA A 10 -10.772 6.922 0.616 1.00 0.00 C ATOM 86 C ALA A 10 -10.425 7.596 1.945 1.00 0.00 C ATOM 87 O ALA A 10 -10.131 8.790 1.982 1.00 0.00 O ATOM 88 CB ALA A 10 -9.631 7.012 -0.399 1.00 0.00 C ATOM 0 H ALA A 10 -11.785 8.268 -0.631 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.946 5.865 0.818 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.737 6.548 0.017 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.916 6.493 -1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.426 8.059 -0.624 1.00 0.00 H new ATOM 94 N ALA A 11 -10.471 6.802 3.005 1.00 0.00 N ATOM 95 CA ALA A 11 -10.165 7.307 4.332 1.00 0.00 C ATOM 96 C ALA A 11 -9.264 6.306 5.059 1.00 0.00 C ATOM 97 O ALA A 11 -8.125 6.623 5.398 1.00 0.00 O ATOM 98 CB ALA A 11 -11.467 7.576 5.089 1.00 0.00 C ATOM 0 H ALA A 11 -10.716 5.812 2.971 1.00 0.00 H new ATOM 0 HA ALA A 11 -9.624 8.251 4.268 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -11.237 7.955 6.085 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -12.057 8.315 4.547 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -12.036 6.650 5.175 1.00 0.00 H new ATOM 104 N SER A 12 -9.809 5.118 5.277 1.00 0.00 N ATOM 105 CA SER A 12 -9.069 4.069 5.958 1.00 0.00 C ATOM 106 C SER A 12 -9.400 2.710 5.339 1.00 0.00 C ATOM 107 O SER A 12 -8.517 2.028 4.821 1.00 0.00 O ATOM 108 CB SER A 12 -9.378 4.060 7.456 1.00 0.00 C ATOM 109 OG SER A 12 -8.444 3.272 8.189 1.00 0.00 O ATOM 0 H SER A 12 -10.754 4.859 4.994 1.00 0.00 H new ATOM 0 HA SER A 12 -8.004 4.267 5.836 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.366 5.082 7.835 1.00 0.00 H new ATOM 0 HB3 SER A 12 -10.384 3.672 7.616 1.00 0.00 H new ATOM 0 HG SER A 12 -8.674 3.293 9.141 1.00 0.00 H new ATOM 115 N SER A 13 -10.675 2.356 5.414 1.00 0.00 N ATOM 116 CA SER A 13 -11.134 1.090 4.868 1.00 0.00 C ATOM 117 C SER A 13 -10.776 1.001 3.383 1.00 0.00 C ATOM 118 O SER A 13 -10.020 0.120 2.975 1.00 0.00 O ATOM 119 CB SER A 13 -12.642 0.921 5.061 1.00 0.00 C ATOM 120 OG SER A 13 -12.977 -0.379 5.539 1.00 0.00 O ATOM 0 H SER A 13 -11.404 2.924 5.845 1.00 0.00 H new ATOM 0 HA SER A 13 -10.634 0.284 5.405 1.00 0.00 H new ATOM 0 HB2 SER A 13 -13.004 1.670 5.765 1.00 0.00 H new ATOM 0 HB3 SER A 13 -13.151 1.101 4.114 1.00 0.00 H new ATOM 0 HG SER A 13 -13.948 -0.446 5.651 1.00 0.00 H new ATOM 126 N ALA A 14 -11.335 1.924 2.615 1.00 0.00 N ATOM 127 CA ALA A 14 -11.084 1.960 1.184 1.00 0.00 C ATOM 128 C ALA A 14 -9.596 1.718 0.926 1.00 0.00 C ATOM 129 O ALA A 14 -9.232 0.810 0.180 1.00 0.00 O ATOM 130 CB ALA A 14 -11.566 3.297 0.615 1.00 0.00 C ATOM 0 H ALA A 14 -11.961 2.653 2.957 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.639 1.171 0.676 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -11.378 3.325 -0.458 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -12.635 3.407 0.799 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -11.029 4.113 1.099 1.00 0.00 H new ATOM 136 N LEU A 15 -8.776 2.547 1.556 1.00 0.00 N ATOM 137 CA LEU A 15 -7.336 2.434 1.403 1.00 0.00 C ATOM 138 C LEU A 15 -6.906 0.998 1.707 1.00 0.00 C ATOM 139 O LEU A 15 -6.216 0.369 0.905 1.00 0.00 O ATOM 140 CB LEU A 15 -6.622 3.484 2.257 1.00 0.00 C ATOM 141 CG LEU A 15 -5.586 4.347 1.534 1.00 0.00 C ATOM 142 CD1 LEU A 15 -4.694 3.491 0.632 1.00 0.00 C ATOM 143 CD2 LEU A 15 -6.261 5.482 0.762 1.00 0.00 C ATOM 0 H LEU A 15 -9.082 3.299 2.173 1.00 0.00 H new ATOM 0 HA LEU A 15 -7.045 2.643 0.374 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.374 4.142 2.691 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -6.128 2.975 3.084 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.941 4.807 2.283 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.966 4.128 0.130 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.171 2.749 1.236 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.308 2.985 -0.113 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -5.502 6.080 0.257 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -6.944 5.063 0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -6.818 6.112 1.455 1.00 0.00 H new ATOM 155 N LYS A 16 -7.330 0.520 2.868 1.00 0.00 N ATOM 156 CA LYS A 16 -6.997 -0.830 3.288 1.00 0.00 C ATOM 157 C LYS A 16 -7.097 -1.773 2.087 1.00 0.00 C ATOM 158 O LYS A 16 -6.125 -2.441 1.736 1.00 0.00 O ATOM 159 CB LYS A 16 -7.868 -1.252 4.474 1.00 0.00 C ATOM 160 CG LYS A 16 -7.123 -2.237 5.378 1.00 0.00 C ATOM 161 CD LYS A 16 -7.548 -2.070 6.838 1.00 0.00 C ATOM 162 CE LYS A 16 -8.047 -3.395 7.418 1.00 0.00 C ATOM 163 NZ LYS A 16 -9.399 -3.709 6.905 1.00 0.00 N ATOM 0 H LYS A 16 -7.901 1.044 3.531 1.00 0.00 H new ATOM 0 HA LYS A 16 -5.968 -0.875 3.645 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -8.157 -0.372 5.049 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -8.787 -1.711 4.110 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -7.322 -3.258 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -6.048 -2.078 5.288 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -6.706 -1.705 7.426 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -8.335 -1.319 6.908 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -7.357 -4.197 7.155 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -8.069 -3.337 8.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -9.723 -4.611 7.309 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.058 -2.952 7.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -9.368 -3.785 5.868 1.00 0.00 H new ATOM 177 N GLY A 17 -8.279 -1.796 1.490 1.00 0.00 N ATOM 178 CA GLY A 17 -8.517 -2.645 0.335 1.00 0.00 C ATOM 179 C GLY A 17 -7.305 -2.655 -0.598 1.00 0.00 C ATOM 180 O GLY A 17 -6.812 -3.719 -0.970 1.00 0.00 O ATOM 0 H GLY A 17 -9.082 -1.241 1.784 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -8.735 -3.661 0.665 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -9.394 -2.291 -0.206 1.00 0.00 H new ATOM 184 N LEU A 18 -6.859 -1.458 -0.949 1.00 0.00 N ATOM 185 CA LEU A 18 -5.713 -1.316 -1.832 1.00 0.00 C ATOM 186 C LEU A 18 -4.441 -1.708 -1.077 1.00 0.00 C ATOM 187 O LEU A 18 -3.673 -2.549 -1.541 1.00 0.00 O ATOM 188 CB LEU A 18 -5.666 0.093 -2.426 1.00 0.00 C ATOM 189 CG LEU A 18 -6.572 0.343 -3.633 1.00 0.00 C ATOM 190 CD1 LEU A 18 -6.724 1.841 -3.904 1.00 0.00 C ATOM 191 CD2 LEU A 18 -6.068 -0.414 -4.863 1.00 0.00 C ATOM 0 H LEU A 18 -7.270 -0.578 -0.638 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.801 -1.993 -2.682 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -5.932 0.804 -1.644 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.638 0.309 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 18 -7.564 -0.044 -3.401 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.373 1.991 -4.767 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.163 2.326 -3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.745 2.275 -4.106 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.730 -0.219 -5.707 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.060 -0.080 -5.108 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -6.055 -1.483 -4.652 1.00 0.00 H new ATOM 203 N ILE A 19 -4.258 -1.079 0.075 1.00 0.00 N ATOM 204 CA ILE A 19 -3.092 -1.351 0.899 1.00 0.00 C ATOM 205 C ILE A 19 -2.806 -2.854 0.889 1.00 0.00 C ATOM 206 O ILE A 19 -1.690 -3.275 0.589 1.00 0.00 O ATOM 207 CB ILE A 19 -3.280 -0.771 2.302 1.00 0.00 C ATOM 208 CG1 ILE A 19 -3.377 0.756 2.255 1.00 0.00 C ATOM 209 CG2 ILE A 19 -2.173 -1.246 3.245 1.00 0.00 C ATOM 210 CD1 ILE A 19 -3.369 1.349 3.665 1.00 0.00 C ATOM 0 H ILE A 19 -4.897 -0.382 0.457 1.00 0.00 H new ATOM 0 HA ILE A 19 -2.212 -0.855 0.489 1.00 0.00 H new ATOM 0 HB ILE A 19 -4.224 -1.142 2.701 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -2.542 1.160 1.682 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.290 1.050 1.738 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.331 -0.819 4.235 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.193 -2.334 3.311 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.205 -0.924 2.861 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -3.439 2.435 3.603 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.219 0.962 4.227 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.444 1.073 4.171 1.00 0.00 H new ATOM 222 N GLN A 20 -3.833 -3.622 1.222 1.00 0.00 N ATOM 223 CA GLN A 20 -3.706 -5.069 1.255 1.00 0.00 C ATOM 224 C GLN A 20 -3.063 -5.575 -0.038 1.00 0.00 C ATOM 225 O GLN A 20 -2.099 -6.339 0.001 1.00 0.00 O ATOM 226 CB GLN A 20 -5.064 -5.734 1.488 1.00 0.00 C ATOM 227 CG GLN A 20 -5.473 -5.644 2.959 1.00 0.00 C ATOM 228 CD GLN A 20 -5.011 -6.880 3.734 1.00 0.00 C ATOM 229 OE1 GLN A 20 -5.503 -7.981 3.547 1.00 0.00 O ATOM 230 NE2 GLN A 20 -4.041 -6.638 4.610 1.00 0.00 N ATOM 0 H GLN A 20 -4.757 -3.269 1.471 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.059 -5.338 2.090 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.820 -5.253 0.867 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.018 -6.779 1.183 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.042 -4.748 3.406 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -6.556 -5.548 3.034 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.674 -5.692 4.716 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -3.663 -7.398 5.176 1.00 0.00 H new ATOM 239 N GLN A 21 -3.622 -5.130 -1.154 1.00 0.00 N ATOM 240 CA GLN A 21 -3.115 -5.528 -2.456 1.00 0.00 C ATOM 241 C GLN A 21 -1.609 -5.271 -2.540 1.00 0.00 C ATOM 242 O GLN A 21 -0.860 -6.109 -3.038 1.00 0.00 O ATOM 243 CB GLN A 21 -3.859 -4.803 -3.579 1.00 0.00 C ATOM 244 CG GLN A 21 -5.367 -5.042 -3.481 1.00 0.00 C ATOM 245 CD GLN A 21 -5.880 -5.817 -4.696 1.00 0.00 C ATOM 246 OE1 GLN A 21 -5.340 -6.840 -5.085 1.00 0.00 O ATOM 247 NE2 GLN A 21 -6.949 -5.275 -5.272 1.00 0.00 N ATOM 0 H GLN A 21 -4.422 -4.497 -1.183 1.00 0.00 H new ATOM 0 HA GLN A 21 -3.289 -6.597 -2.581 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -3.652 -3.734 -3.526 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -3.494 -5.151 -4.545 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -5.592 -5.596 -2.570 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -5.886 -4.086 -3.409 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -7.351 -4.417 -4.895 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -7.367 -5.717 -6.091 1.00 0.00 H new ATOM 256 N PHE A 22 -1.211 -4.108 -2.046 1.00 0.00 N ATOM 257 CA PHE A 22 0.192 -3.730 -2.059 1.00 0.00 C ATOM 258 C PHE A 22 0.996 -4.571 -1.066 1.00 0.00 C ATOM 259 O PHE A 22 1.896 -5.311 -1.460 1.00 0.00 O ATOM 260 CB PHE A 22 0.263 -2.260 -1.640 1.00 0.00 C ATOM 261 CG PHE A 22 1.657 -1.643 -1.769 1.00 0.00 C ATOM 262 CD1 PHE A 22 2.065 -1.129 -2.961 1.00 0.00 C ATOM 263 CD2 PHE A 22 2.488 -1.608 -0.693 1.00 0.00 C ATOM 264 CE1 PHE A 22 3.358 -0.556 -3.081 1.00 0.00 C ATOM 265 CE2 PHE A 22 3.782 -1.035 -0.814 1.00 0.00 C ATOM 266 CZ PHE A 22 4.190 -0.521 -2.006 1.00 0.00 C ATOM 0 H PHE A 22 -1.836 -3.415 -1.634 1.00 0.00 H new ATOM 0 HA PHE A 22 0.611 -3.891 -3.052 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -0.435 -1.685 -2.248 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -0.068 -2.171 -0.605 1.00 0.00 H new ATOM 0 HD1 PHE A 22 1.405 -1.157 -3.816 1.00 0.00 H new ATOM 0 HD2 PHE A 22 2.164 -2.016 0.253 1.00 0.00 H new ATOM 0 HE1 PHE A 22 3.681 -0.147 -4.027 1.00 0.00 H new ATOM 0 HE2 PHE A 22 4.442 -1.007 0.040 1.00 0.00 H new ATOM 0 HZ PHE A 22 5.174 -0.086 -2.098 1.00 0.00 H new ATOM 276 N THR A 23 0.642 -4.429 0.203 1.00 0.00 N ATOM 277 CA THR A 23 1.320 -5.167 1.255 1.00 0.00 C ATOM 278 C THR A 23 1.449 -6.643 0.874 1.00 0.00 C ATOM 279 O THR A 23 2.332 -7.341 1.369 1.00 0.00 O ATOM 280 CB THR A 23 0.553 -4.941 2.560 1.00 0.00 C ATOM 281 OG1 THR A 23 -0.798 -5.249 2.226 1.00 0.00 O ATOM 282 CG2 THR A 23 0.510 -3.467 2.966 1.00 0.00 C ATOM 0 H THR A 23 -0.105 -3.814 0.526 1.00 0.00 H new ATOM 0 HA THR A 23 2.340 -4.810 1.394 1.00 0.00 H new ATOM 0 HB THR A 23 1.014 -5.524 3.358 1.00 0.00 H new ATOM 0 HG1 THR A 23 -1.190 -4.502 1.728 1.00 0.00 H new ATOM 0 HG21 THR A 23 -0.046 -3.362 3.898 1.00 0.00 H new ATOM 0 HG22 THR A 23 1.526 -3.098 3.106 1.00 0.00 H new ATOM 0 HG23 THR A 23 0.019 -2.888 2.184 1.00 0.00 H new ATOM 290 N THR A 24 0.555 -7.075 -0.004 1.00 0.00 N ATOM 291 CA THR A 24 0.558 -8.455 -0.457 1.00 0.00 C ATOM 292 C THR A 24 1.434 -8.605 -1.702 1.00 0.00 C ATOM 293 O THR A 24 2.315 -9.462 -1.746 1.00 0.00 O ATOM 294 CB THR A 24 -0.894 -8.882 -0.681 1.00 0.00 C ATOM 295 OG1 THR A 24 -1.428 -9.002 0.635 1.00 0.00 O ATOM 296 CG2 THR A 24 -1.007 -10.295 -1.258 1.00 0.00 C ATOM 0 H THR A 24 -0.176 -6.493 -0.413 1.00 0.00 H new ATOM 0 HA THR A 24 0.995 -9.116 0.291 1.00 0.00 H new ATOM 0 HB THR A 24 -1.380 -8.175 -1.353 1.00 0.00 H new ATOM 0 HG1 THR A 24 -1.843 -8.154 0.898 1.00 0.00 H new ATOM 0 HG21 THR A 24 -2.058 -10.548 -1.397 1.00 0.00 H new ATOM 0 HG22 THR A 24 -0.493 -10.338 -2.218 1.00 0.00 H new ATOM 0 HG23 THR A 24 -0.551 -11.007 -0.570 1.00 0.00 H new ATOM 304 N ILE A 25 1.161 -7.759 -2.684 1.00 0.00 N ATOM 305 CA ILE A 25 1.914 -7.787 -3.927 1.00 0.00 C ATOM 306 C ILE A 25 3.390 -7.517 -3.630 1.00 0.00 C ATOM 307 O ILE A 25 4.242 -8.369 -3.875 1.00 0.00 O ATOM 308 CB ILE A 25 1.304 -6.820 -4.944 1.00 0.00 C ATOM 309 CG1 ILE A 25 -0.067 -7.311 -5.414 1.00 0.00 C ATOM 310 CG2 ILE A 25 2.260 -6.582 -6.115 1.00 0.00 C ATOM 311 CD1 ILE A 25 -1.015 -6.136 -5.661 1.00 0.00 C ATOM 0 H ILE A 25 0.429 -7.050 -2.645 1.00 0.00 H new ATOM 0 HA ILE A 25 1.856 -8.774 -4.386 1.00 0.00 H new ATOM 0 HB ILE A 25 1.150 -5.859 -4.453 1.00 0.00 H new ATOM 0 HG12 ILE A 25 0.045 -7.891 -6.330 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.495 -7.977 -4.665 1.00 0.00 H new ATOM 0 HG21 ILE A 25 1.803 -5.891 -6.823 1.00 0.00 H new ATOM 0 HG22 ILE A 25 3.192 -6.156 -5.743 1.00 0.00 H new ATOM 0 HG23 ILE A 25 2.467 -7.529 -6.614 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.982 -6.513 -5.994 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -1.144 -5.572 -4.737 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -0.595 -5.485 -6.428 1.00 0.00 H new ATOM 323 N THR A 26 3.648 -6.327 -3.107 1.00 0.00 N ATOM 324 CA THR A 26 5.006 -5.934 -2.774 1.00 0.00 C ATOM 325 C THR A 26 5.533 -6.771 -1.607 1.00 0.00 C ATOM 326 O THR A 26 6.514 -7.499 -1.754 1.00 0.00 O ATOM 327 CB THR A 26 5.008 -4.430 -2.493 1.00 0.00 C ATOM 328 OG1 THR A 26 4.354 -4.312 -1.232 1.00 0.00 O ATOM 329 CG2 THR A 26 4.106 -3.654 -3.454 1.00 0.00 C ATOM 0 H THR A 26 2.939 -5.622 -2.906 1.00 0.00 H new ATOM 0 HA THR A 26 5.687 -6.125 -3.603 1.00 0.00 H new ATOM 0 HB THR A 26 6.027 -4.049 -2.564 1.00 0.00 H new ATOM 0 HG1 THR A 26 3.417 -4.586 -1.322 1.00 0.00 H new ATOM 0 HG21 THR A 26 4.144 -2.592 -3.211 1.00 0.00 H new ATOM 0 HG22 THR A 26 4.450 -3.805 -4.477 1.00 0.00 H new ATOM 0 HG23 THR A 26 3.081 -4.012 -3.359 1.00 0.00 H new ATOM 337 N GLY A 27 4.858 -6.640 -0.475 1.00 0.00 N ATOM 338 CA GLY A 27 5.246 -7.375 0.717 1.00 0.00 C ATOM 339 C GLY A 27 5.681 -6.422 1.832 1.00 0.00 C ATOM 340 O GLY A 27 6.293 -6.846 2.812 1.00 0.00 O ATOM 0 H GLY A 27 4.045 -6.036 -0.358 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.410 -7.985 1.060 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.062 -8.057 0.478 1.00 0.00 H new ATOM 344 N ALA A 28 5.350 -5.153 1.645 1.00 0.00 N ATOM 345 CA ALA A 28 5.699 -4.137 2.623 1.00 0.00 C ATOM 346 C ALA A 28 4.619 -4.084 3.706 1.00 0.00 C ATOM 347 O ALA A 28 3.694 -4.895 3.705 1.00 0.00 O ATOM 348 CB ALA A 28 5.883 -2.792 1.918 1.00 0.00 C ATOM 0 H ALA A 28 4.844 -4.805 0.831 1.00 0.00 H new ATOM 0 HA ALA A 28 6.643 -4.382 3.110 1.00 0.00 H new ATOM 0 HB1 ALA A 28 6.145 -2.030 2.652 1.00 0.00 H new ATOM 0 HB2 ALA A 28 6.681 -2.874 1.180 1.00 0.00 H new ATOM 0 HB3 ALA A 28 4.955 -2.512 1.420 1.00 0.00 H new ATOM 354 N SER A 29 4.772 -3.122 4.603 1.00 0.00 N ATOM 355 CA SER A 29 3.821 -2.953 5.689 1.00 0.00 C ATOM 356 C SER A 29 2.654 -2.076 5.231 1.00 0.00 C ATOM 357 O SER A 29 2.720 -1.453 4.172 1.00 0.00 O ATOM 358 CB SER A 29 4.494 -2.341 6.920 1.00 0.00 C ATOM 359 OG SER A 29 5.309 -3.286 7.608 1.00 0.00 O ATOM 0 H SER A 29 5.540 -2.451 4.601 1.00 0.00 H new ATOM 0 HA SER A 29 3.441 -3.936 5.967 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.104 -1.491 6.615 1.00 0.00 H new ATOM 0 HB3 SER A 29 3.731 -1.959 7.598 1.00 0.00 H new ATOM 0 HG SER A 29 5.722 -2.857 8.386 1.00 0.00 H new ATOM 365 N GLU A 30 1.614 -2.055 6.051 1.00 0.00 N ATOM 366 CA GLU A 30 0.434 -1.265 5.743 1.00 0.00 C ATOM 367 C GLU A 30 0.818 0.201 5.528 1.00 0.00 C ATOM 368 O GLU A 30 0.709 0.718 4.418 1.00 0.00 O ATOM 369 CB GLU A 30 -0.619 -1.399 6.845 1.00 0.00 C ATOM 370 CG GLU A 30 -1.822 -2.209 6.358 1.00 0.00 C ATOM 371 CD GLU A 30 -2.228 -3.263 7.391 1.00 0.00 C ATOM 372 OE1 GLU A 30 -2.743 -2.848 8.452 1.00 0.00 O ATOM 373 OE2 GLU A 30 -2.016 -4.459 7.096 1.00 0.00 O ATOM 0 H GLU A 30 1.564 -2.572 6.929 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.003 -1.646 4.820 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.179 -1.883 7.717 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.947 -0.409 7.162 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.661 -1.541 6.166 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -1.579 -2.695 5.413 1.00 0.00 H new ATOM 380 N SER A 31 1.260 0.828 6.608 1.00 0.00 N ATOM 381 CA SER A 31 1.661 2.224 6.552 1.00 0.00 C ATOM 382 C SER A 31 2.410 2.500 5.247 1.00 0.00 C ATOM 383 O SER A 31 2.152 3.501 4.579 1.00 0.00 O ATOM 384 CB SER A 31 2.531 2.596 7.753 1.00 0.00 C ATOM 385 OG SER A 31 1.971 2.138 8.981 1.00 0.00 O ATOM 0 H SER A 31 1.349 0.395 7.527 1.00 0.00 H new ATOM 0 HA SER A 31 0.762 2.840 6.585 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.526 2.168 7.626 1.00 0.00 H new ATOM 0 HB3 SER A 31 2.652 3.679 7.791 1.00 0.00 H new ATOM 0 HG SER A 31 2.557 2.394 9.723 1.00 0.00 H new ATOM 391 N VAL A 32 3.323 1.596 4.923 1.00 0.00 N ATOM 392 CA VAL A 32 4.112 1.731 3.710 1.00 0.00 C ATOM 393 C VAL A 32 3.175 1.782 2.501 1.00 0.00 C ATOM 394 O VAL A 32 3.138 2.780 1.782 1.00 0.00 O ATOM 395 CB VAL A 32 5.137 0.598 3.624 1.00 0.00 C ATOM 396 CG1 VAL A 32 5.843 0.599 2.267 1.00 0.00 C ATOM 397 CG2 VAL A 32 6.148 0.686 4.769 1.00 0.00 C ATOM 0 H VAL A 32 3.534 0.767 5.479 1.00 0.00 H new ATOM 0 HA VAL A 32 4.677 2.663 3.723 1.00 0.00 H new ATOM 0 HB VAL A 32 4.602 -0.347 3.722 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.566 -0.216 2.232 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.107 0.465 1.474 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.359 1.548 2.126 1.00 0.00 H new ATOM 0 HG21 VAL A 32 6.865 -0.130 4.685 1.00 0.00 H new ATOM 0 HG22 VAL A 32 6.675 1.639 4.717 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.625 0.613 5.723 1.00 0.00 H new ATOM 407 N GLY A 33 2.441 0.695 2.314 1.00 0.00 N ATOM 408 CA GLY A 33 1.508 0.604 1.205 1.00 0.00 C ATOM 409 C GLY A 33 0.600 1.834 1.150 1.00 0.00 C ATOM 410 O GLY A 33 0.163 2.240 0.074 1.00 0.00 O ATOM 0 H GLY A 33 2.474 -0.130 2.912 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.058 0.512 0.269 1.00 0.00 H new ATOM 0 HA3 GLY A 33 0.902 -0.296 1.308 1.00 0.00 H new ATOM 414 N LYS A 34 0.343 2.393 2.323 1.00 0.00 N ATOM 415 CA LYS A 34 -0.505 3.569 2.423 1.00 0.00 C ATOM 416 C LYS A 34 0.264 4.791 1.918 1.00 0.00 C ATOM 417 O LYS A 34 -0.303 5.652 1.247 1.00 0.00 O ATOM 418 CB LYS A 34 -1.041 3.724 3.847 1.00 0.00 C ATOM 419 CG LYS A 34 -2.086 4.839 3.921 1.00 0.00 C ATOM 420 CD LYS A 34 -2.578 5.035 5.357 1.00 0.00 C ATOM 421 CE LYS A 34 -4.093 5.247 5.393 1.00 0.00 C ATOM 422 NZ LYS A 34 -4.489 5.941 6.639 1.00 0.00 N ATOM 0 H LYS A 34 0.707 2.053 3.213 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.384 3.460 1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.483 2.784 4.177 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.218 3.946 4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.657 5.770 3.550 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.929 4.596 3.274 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -2.315 4.164 5.958 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -2.076 5.894 5.803 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -4.405 5.833 4.528 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -4.603 4.286 5.327 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.520 6.077 6.648 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.208 5.368 7.460 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -4.017 6.867 6.686 1.00 0.00 H new ATOM 436 N HIS A 35 1.543 4.828 2.260 1.00 0.00 N ATOM 437 CA HIS A 35 2.396 5.931 1.851 1.00 0.00 C ATOM 438 C HIS A 35 2.668 5.838 0.348 1.00 0.00 C ATOM 439 O HIS A 35 2.776 6.858 -0.331 1.00 0.00 O ATOM 440 CB HIS A 35 3.679 5.965 2.684 1.00 0.00 C ATOM 441 CG HIS A 35 4.690 6.983 2.214 1.00 0.00 C ATOM 442 ND1 HIS A 35 4.818 8.234 2.793 1.00 0.00 N ATOM 443 CD2 HIS A 35 5.619 6.923 1.218 1.00 0.00 C ATOM 444 CE1 HIS A 35 5.783 8.889 2.164 1.00 0.00 C ATOM 445 NE2 HIS A 35 6.278 8.075 1.187 1.00 0.00 N ATOM 0 H HIS A 35 2.010 4.112 2.816 1.00 0.00 H new ATOM 0 HA HIS A 35 1.887 6.877 2.036 1.00 0.00 H new ATOM 0 HB2 HIS A 35 3.421 6.177 3.722 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.138 4.977 2.665 1.00 0.00 H new ATOM 0 HD2 HIS A 35 5.790 6.080 0.564 1.00 0.00 H new ATOM 0 HE1 HIS A 35 6.119 9.891 2.386 1.00 0.00 H new ATOM 0 HE2 HIS A 35 7.030 8.312 0.540 1.00 0.00 H new ATOM 453 N MET A 36 2.771 4.606 -0.128 1.00 0.00 N ATOM 454 CA MET A 36 3.028 4.367 -1.537 1.00 0.00 C ATOM 455 C MET A 36 1.782 4.651 -2.378 1.00 0.00 C ATOM 456 O MET A 36 1.886 5.135 -3.504 1.00 0.00 O ATOM 457 CB MET A 36 3.459 2.912 -1.738 1.00 0.00 C ATOM 458 CG MET A 36 4.525 2.510 -0.717 1.00 0.00 C ATOM 459 SD MET A 36 6.136 2.506 -1.485 1.00 0.00 S ATOM 460 CE MET A 36 6.170 4.166 -2.141 1.00 0.00 C ATOM 0 H MET A 36 2.681 3.762 0.438 1.00 0.00 H new ATOM 0 HA MET A 36 3.823 5.039 -1.861 1.00 0.00 H new ATOM 0 HB2 MET A 36 2.594 2.256 -1.643 1.00 0.00 H new ATOM 0 HB3 MET A 36 3.849 2.781 -2.747 1.00 0.00 H new ATOM 0 HG2 MET A 36 4.515 3.204 0.123 1.00 0.00 H new ATOM 0 HG3 MET A 36 4.302 1.521 -0.316 1.00 0.00 H new ATOM 0 HE1 MET A 36 7.182 4.408 -2.467 1.00 0.00 H new ATOM 0 HE2 MET A 36 5.489 4.236 -2.989 1.00 0.00 H new ATOM 0 HE3 MET A 36 5.860 4.869 -1.368 1.00 0.00 H new ATOM 470 N LEU A 37 0.632 4.339 -1.798 1.00 0.00 N ATOM 471 CA LEU A 37 -0.632 4.555 -2.480 1.00 0.00 C ATOM 472 C LEU A 37 -0.946 6.052 -2.501 1.00 0.00 C ATOM 473 O LEU A 37 -1.247 6.613 -3.554 1.00 0.00 O ATOM 474 CB LEU A 37 -1.735 3.704 -1.846 1.00 0.00 C ATOM 475 CG LEU A 37 -1.817 2.252 -2.321 1.00 0.00 C ATOM 476 CD1 LEU A 37 -2.614 1.397 -1.333 1.00 0.00 C ATOM 477 CD2 LEU A 37 -2.386 2.169 -3.739 1.00 0.00 C ATOM 0 H LEU A 37 0.550 3.938 -0.864 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.566 4.228 -3.518 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.591 3.705 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.694 4.184 -2.040 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.806 1.847 -2.356 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.658 0.369 -1.694 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -2.127 1.419 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.626 1.793 -1.243 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.433 1.126 -4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.388 2.598 -3.755 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.743 2.724 -4.422 1.00 0.00 H new ATOM 489 N GLU A 38 -0.866 6.658 -1.325 1.00 0.00 N ATOM 490 CA GLU A 38 -1.138 8.079 -1.194 1.00 0.00 C ATOM 491 C GLU A 38 -0.130 8.889 -2.012 1.00 0.00 C ATOM 492 O GLU A 38 -0.379 10.049 -2.336 1.00 0.00 O ATOM 493 CB GLU A 38 -1.124 8.507 0.274 1.00 0.00 C ATOM 494 CG GLU A 38 -2.544 8.571 0.840 1.00 0.00 C ATOM 495 CD GLU A 38 -3.162 9.953 0.619 1.00 0.00 C ATOM 496 OE1 GLU A 38 -2.878 10.842 1.451 1.00 0.00 O ATOM 497 OE2 GLU A 38 -3.904 10.090 -0.377 1.00 0.00 O ATOM 0 H GLU A 38 -0.616 6.190 -0.454 1.00 0.00 H new ATOM 0 HA GLU A 38 -2.136 8.276 -1.585 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -0.528 7.804 0.856 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -0.647 9.483 0.368 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.164 7.811 0.363 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.525 8.344 1.906 1.00 0.00 H new ATOM 504 N ALA A 39 0.986 8.246 -2.320 1.00 0.00 N ATOM 505 CA ALA A 39 2.033 8.893 -3.093 1.00 0.00 C ATOM 506 C ALA A 39 1.785 8.649 -4.583 1.00 0.00 C ATOM 507 O ALA A 39 2.566 9.089 -5.426 1.00 0.00 O ATOM 508 CB ALA A 39 3.399 8.375 -2.637 1.00 0.00 C ATOM 0 H ALA A 39 1.189 7.284 -2.049 1.00 0.00 H new ATOM 0 HA ALA A 39 2.021 9.970 -2.928 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.184 8.860 -3.217 1.00 0.00 H new ATOM 0 HB2 ALA A 39 3.538 8.598 -1.579 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.449 7.297 -2.790 1.00 0.00 H new ATOM 514 N CYS A 40 0.695 7.949 -4.863 1.00 0.00 N ATOM 515 CA CYS A 40 0.335 7.641 -6.236 1.00 0.00 C ATOM 516 C CYS A 40 -1.137 8.006 -6.440 1.00 0.00 C ATOM 517 O CYS A 40 -1.722 7.686 -7.473 1.00 0.00 O ATOM 518 CB CYS A 40 0.613 6.176 -6.580 1.00 0.00 C ATOM 519 SG CYS A 40 2.415 5.903 -6.744 1.00 0.00 S ATOM 0 H CYS A 40 0.049 7.586 -4.161 1.00 0.00 H new ATOM 0 HA CYS A 40 0.952 8.228 -6.916 1.00 0.00 H new ATOM 0 HB2 CYS A 40 0.208 5.528 -5.803 1.00 0.00 H new ATOM 0 HB3 CYS A 40 0.110 5.911 -7.510 1.00 0.00 H new ATOM 0 HG CYS A 40 2.781 6.143 -7.968 1.00 0.00 H new ATOM 525 N ASN A 41 -1.693 8.670 -5.437 1.00 0.00 N ATOM 526 CA ASN A 41 -3.086 9.081 -5.493 1.00 0.00 C ATOM 527 C ASN A 41 -3.983 7.856 -5.308 1.00 0.00 C ATOM 528 O ASN A 41 -5.028 7.745 -5.946 1.00 0.00 O ATOM 529 CB ASN A 41 -3.420 9.711 -6.846 1.00 0.00 C ATOM 530 CG ASN A 41 -4.320 10.936 -6.674 1.00 0.00 C ATOM 531 OD1 ASN A 41 -5.356 10.892 -6.030 1.00 0.00 O ATOM 532 ND2 ASN A 41 -3.869 12.029 -7.282 1.00 0.00 N ATOM 0 H ASN A 41 -1.204 8.934 -4.581 1.00 0.00 H new ATOM 0 HA ASN A 41 -3.253 9.813 -4.703 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -2.500 10.000 -7.354 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -3.917 8.977 -7.480 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.398 12.899 -7.225 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -2.994 11.997 -7.805 1.00 0.00 H new ATOM 539 N ASN A 42 -3.541 6.965 -4.431 1.00 0.00 N ATOM 540 CA ASN A 42 -4.291 5.752 -4.154 1.00 0.00 C ATOM 541 C ASN A 42 -4.319 4.877 -5.409 1.00 0.00 C ATOM 542 O ASN A 42 -5.389 4.481 -5.870 1.00 0.00 O ATOM 543 CB ASN A 42 -5.737 6.074 -3.770 1.00 0.00 C ATOM 544 CG ASN A 42 -5.830 7.436 -3.080 1.00 0.00 C ATOM 545 OD1 ASN A 42 -5.786 7.374 -1.752 1.00 0.00 O flip ATOM 546 ND2 ASN A 42 -5.936 8.475 -3.711 1.00 0.00 N flip ATOM 0 H ASN A 42 -2.673 7.060 -3.904 1.00 0.00 H new ATOM 0 HA ASN A 42 -3.804 5.236 -3.326 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -6.363 6.071 -4.662 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.122 5.299 -3.107 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -5.964 8.452 -4.730 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -5.997 9.366 -3.219 1.00 0.00 H new ATOM 553 N ASN A 43 -3.131 4.602 -5.926 1.00 0.00 N ATOM 554 CA ASN A 43 -3.006 3.781 -7.119 1.00 0.00 C ATOM 555 C ASN A 43 -2.039 2.628 -6.840 1.00 0.00 C ATOM 556 O ASN A 43 -0.824 2.794 -6.940 1.00 0.00 O ATOM 557 CB ASN A 43 -2.448 4.593 -8.290 1.00 0.00 C ATOM 558 CG ASN A 43 -3.489 4.736 -9.402 1.00 0.00 C ATOM 559 OD1 ASN A 43 -4.398 5.548 -9.336 1.00 0.00 O ATOM 560 ND2 ASN A 43 -3.307 3.905 -10.424 1.00 0.00 N ATOM 0 H ASN A 43 -2.246 4.933 -5.541 1.00 0.00 H new ATOM 0 HA ASN A 43 -3.997 3.409 -7.378 1.00 0.00 H new ATOM 0 HB2 ASN A 43 -2.145 5.580 -7.941 1.00 0.00 H new ATOM 0 HB3 ASN A 43 -1.555 4.106 -8.683 1.00 0.00 H new ATOM 0 HD21 ASN A 43 -3.949 3.923 -11.216 1.00 0.00 H new ATOM 0 HD22 ASN A 43 -2.525 3.250 -10.416 1.00 0.00 H new ATOM 567 N LEU A 44 -2.615 1.485 -6.496 1.00 0.00 N ATOM 568 CA LEU A 44 -1.820 0.305 -6.203 1.00 0.00 C ATOM 569 C LEU A 44 -0.884 0.021 -7.379 1.00 0.00 C ATOM 570 O LEU A 44 0.319 -0.155 -7.191 1.00 0.00 O ATOM 571 CB LEU A 44 -2.724 -0.873 -5.837 1.00 0.00 C ATOM 572 CG LEU A 44 -2.047 -2.244 -5.774 1.00 0.00 C ATOM 573 CD1 LEU A 44 -1.418 -2.482 -4.400 1.00 0.00 C ATOM 574 CD2 LEU A 44 -3.025 -3.356 -6.157 1.00 0.00 C ATOM 0 H LEU A 44 -3.623 1.351 -6.414 1.00 0.00 H new ATOM 0 HA LEU A 44 -1.191 0.477 -5.329 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.178 -0.669 -4.867 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -3.534 -0.923 -6.564 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.239 -2.260 -6.505 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.944 -3.463 -4.382 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.670 -1.714 -4.204 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.192 -2.439 -3.633 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -2.519 -4.320 -6.104 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -3.869 -3.351 -5.468 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -3.385 -3.190 -7.173 1.00 0.00 H new ATOM 586 N GLU A 45 -1.471 -0.016 -8.566 1.00 0.00 N ATOM 587 CA GLU A 45 -0.705 -0.276 -9.773 1.00 0.00 C ATOM 588 C GLU A 45 0.572 0.566 -9.783 1.00 0.00 C ATOM 589 O GLU A 45 1.676 0.026 -9.824 1.00 0.00 O ATOM 590 CB GLU A 45 -1.545 -0.013 -11.024 1.00 0.00 C ATOM 591 CG GLU A 45 -2.320 -1.265 -11.438 1.00 0.00 C ATOM 592 CD GLU A 45 -1.732 -1.877 -12.711 1.00 0.00 C ATOM 593 OE1 GLU A 45 -1.785 -1.185 -13.750 1.00 0.00 O ATOM 594 OE2 GLU A 45 -1.243 -3.023 -12.617 1.00 0.00 O ATOM 0 H GLU A 45 -2.469 0.130 -8.718 1.00 0.00 H new ATOM 0 HA GLU A 45 -0.423 -1.329 -9.780 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -2.241 0.804 -10.833 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.897 0.305 -11.841 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -2.292 -1.998 -10.631 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -3.367 -1.011 -11.602 1.00 0.00 H new ATOM 601 N MET A 46 0.379 1.876 -9.744 1.00 0.00 N ATOM 602 CA MET A 46 1.502 2.799 -9.748 1.00 0.00 C ATOM 603 C MET A 46 2.398 2.577 -8.528 1.00 0.00 C ATOM 604 O MET A 46 3.612 2.431 -8.663 1.00 0.00 O ATOM 605 CB MET A 46 0.980 4.237 -9.744 1.00 0.00 C ATOM 606 CG MET A 46 1.768 5.108 -10.725 1.00 0.00 C ATOM 607 SD MET A 46 1.764 6.806 -10.173 1.00 0.00 S ATOM 608 CE MET A 46 0.009 7.068 -9.986 1.00 0.00 C ATOM 0 H MET A 46 -0.538 2.321 -9.709 1.00 0.00 H new ATOM 0 HA MET A 46 2.093 2.620 -10.646 1.00 0.00 H new ATOM 0 HB2 MET A 46 -0.076 4.245 -10.012 1.00 0.00 H new ATOM 0 HB3 MET A 46 1.057 4.653 -8.739 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.793 4.745 -10.804 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.328 5.039 -11.720 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.171 8.075 -9.610 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.482 6.948 -10.952 1.00 0.00 H new ATOM 0 HE3 MET A 46 -0.394 6.341 -9.281 1.00 0.00 H new ATOM 618 N ALA A 47 1.765 2.558 -7.364 1.00 0.00 N ATOM 619 CA ALA A 47 2.490 2.357 -6.121 1.00 0.00 C ATOM 620 C ALA A 47 3.471 1.195 -6.291 1.00 0.00 C ATOM 621 O ALA A 47 4.670 1.352 -6.062 1.00 0.00 O ATOM 622 CB ALA A 47 1.496 2.118 -4.983 1.00 0.00 C ATOM 0 H ALA A 47 0.758 2.679 -7.256 1.00 0.00 H new ATOM 0 HA ALA A 47 3.070 3.244 -5.867 1.00 0.00 H new ATOM 0 HB1 ALA A 47 2.040 1.967 -4.051 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.840 2.983 -4.885 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.898 1.233 -5.202 1.00 0.00 H new ATOM 628 N VAL A 48 2.926 0.055 -6.690 1.00 0.00 N ATOM 629 CA VAL A 48 3.738 -1.132 -6.893 1.00 0.00 C ATOM 630 C VAL A 48 4.900 -0.796 -7.831 1.00 0.00 C ATOM 631 O VAL A 48 6.063 -0.982 -7.476 1.00 0.00 O ATOM 632 CB VAL A 48 2.868 -2.281 -7.407 1.00 0.00 C ATOM 633 CG1 VAL A 48 3.718 -3.509 -7.737 1.00 0.00 C ATOM 634 CG2 VAL A 48 1.769 -2.629 -6.401 1.00 0.00 C ATOM 0 H VAL A 48 1.931 -0.071 -6.878 1.00 0.00 H new ATOM 0 HA VAL A 48 4.168 -1.466 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 48 2.387 -1.950 -8.328 1.00 0.00 H new ATOM 0 HG11 VAL A 48 3.074 -4.310 -8.100 1.00 0.00 H new ATOM 0 HG12 VAL A 48 4.446 -3.252 -8.506 1.00 0.00 H new ATOM 0 HG13 VAL A 48 4.240 -3.842 -6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 48 1.165 -3.448 -6.791 1.00 0.00 H new ATOM 0 HG22 VAL A 48 2.222 -2.930 -5.456 1.00 0.00 H new ATOM 0 HG23 VAL A 48 1.135 -1.757 -6.238 1.00 0.00 H new ATOM 644 N THR A 49 4.544 -0.308 -9.010 1.00 0.00 N ATOM 645 CA THR A 49 5.542 0.056 -10.002 1.00 0.00 C ATOM 646 C THR A 49 6.548 1.044 -9.409 1.00 0.00 C ATOM 647 O THR A 49 7.732 1.004 -9.740 1.00 0.00 O ATOM 648 CB THR A 49 4.811 0.598 -11.232 1.00 0.00 C ATOM 649 OG1 THR A 49 4.227 -0.559 -11.826 1.00 0.00 O ATOM 650 CG2 THR A 49 5.772 1.121 -12.301 1.00 0.00 C ATOM 0 H THR A 49 3.578 -0.156 -9.301 1.00 0.00 H new ATOM 0 HA THR A 49 6.128 -0.810 -10.310 1.00 0.00 H new ATOM 0 HB THR A 49 4.135 1.398 -10.930 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.731 -0.299 -12.630 1.00 0.00 H new ATOM 0 HG21 THR A 49 5.202 1.494 -13.152 1.00 0.00 H new ATOM 0 HG22 THR A 49 6.374 1.929 -11.885 1.00 0.00 H new ATOM 0 HG23 THR A 49 6.426 0.313 -12.629 1.00 0.00 H new ATOM 658 N MET A 50 6.040 1.907 -8.541 1.00 0.00 N ATOM 659 CA MET A 50 6.879 2.904 -7.899 1.00 0.00 C ATOM 660 C MET A 50 7.797 2.259 -6.858 1.00 0.00 C ATOM 661 O MET A 50 9.015 2.421 -6.914 1.00 0.00 O ATOM 662 CB MET A 50 5.997 3.954 -7.221 1.00 0.00 C ATOM 663 CG MET A 50 5.171 4.724 -8.253 1.00 0.00 C ATOM 664 SD MET A 50 5.447 6.478 -8.071 1.00 0.00 S ATOM 665 CE MET A 50 5.290 6.635 -6.300 1.00 0.00 C ATOM 0 H MET A 50 5.058 1.936 -8.268 1.00 0.00 H new ATOM 0 HA MET A 50 7.499 3.375 -8.661 1.00 0.00 H new ATOM 0 HB2 MET A 50 5.332 3.469 -6.506 1.00 0.00 H new ATOM 0 HB3 MET A 50 6.620 4.648 -6.657 1.00 0.00 H new ATOM 0 HG2 MET A 50 5.444 4.407 -9.259 1.00 0.00 H new ATOM 0 HG3 MET A 50 4.112 4.499 -8.125 1.00 0.00 H new ATOM 0 HE1 MET A 50 4.586 7.434 -6.067 1.00 0.00 H new ATOM 0 HE2 MET A 50 4.925 5.697 -5.882 1.00 0.00 H new ATOM 0 HE3 MET A 50 6.263 6.871 -5.868 1.00 0.00 H new ATOM 675 N PHE A 51 7.177 1.542 -5.932 1.00 0.00 N ATOM 676 CA PHE A 51 7.923 0.872 -4.880 1.00 0.00 C ATOM 677 C PHE A 51 8.888 -0.161 -5.465 1.00 0.00 C ATOM 678 O PHE A 51 10.084 -0.127 -5.182 1.00 0.00 O ATOM 679 CB PHE A 51 6.901 0.155 -3.995 1.00 0.00 C ATOM 680 CG PHE A 51 7.526 -0.770 -2.948 1.00 0.00 C ATOM 681 CD1 PHE A 51 8.100 -0.244 -1.833 1.00 0.00 C ATOM 682 CD2 PHE A 51 7.507 -2.117 -3.133 1.00 0.00 C ATOM 683 CE1 PHE A 51 8.680 -1.103 -0.862 1.00 0.00 C ATOM 684 CE2 PHE A 51 8.087 -2.975 -2.162 1.00 0.00 C ATOM 685 CZ PHE A 51 8.661 -2.450 -1.047 1.00 0.00 C ATOM 0 H PHE A 51 6.166 1.410 -5.888 1.00 0.00 H new ATOM 0 HA PHE A 51 8.509 1.599 -4.318 1.00 0.00 H new ATOM 0 HB2 PHE A 51 6.289 0.900 -3.487 1.00 0.00 H new ATOM 0 HB3 PHE A 51 6.233 -0.429 -4.628 1.00 0.00 H new ATOM 0 HD1 PHE A 51 8.115 0.826 -1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.051 -2.534 -4.019 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.136 -0.686 0.024 1.00 0.00 H new ATOM 0 HE2 PHE A 51 8.072 -4.045 -2.309 1.00 0.00 H new ATOM 0 HZ PHE A 51 9.102 -3.103 -0.308 1.00 0.00 H new ATOM 695 N LEU A 52 8.332 -1.054 -6.270 1.00 0.00 N ATOM 696 CA LEU A 52 9.128 -2.095 -6.897 1.00 0.00 C ATOM 697 C LEU A 52 10.401 -1.476 -7.480 1.00 0.00 C ATOM 698 O LEU A 52 11.509 -1.873 -7.122 1.00 0.00 O ATOM 699 CB LEU A 52 8.294 -2.864 -7.923 1.00 0.00 C ATOM 700 CG LEU A 52 7.387 -3.961 -7.362 1.00 0.00 C ATOM 701 CD1 LEU A 52 6.652 -4.694 -8.486 1.00 0.00 C ATOM 702 CD2 LEU A 52 8.176 -4.923 -6.471 1.00 0.00 C ATOM 0 H LEU A 52 7.339 -1.078 -6.503 1.00 0.00 H new ATOM 0 HA LEU A 52 9.440 -2.832 -6.157 1.00 0.00 H new ATOM 0 HB2 LEU A 52 7.675 -2.151 -8.467 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.971 -3.315 -8.648 1.00 0.00 H new ATOM 0 HG LEU A 52 6.629 -3.490 -6.736 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.014 -5.468 -8.059 1.00 0.00 H new ATOM 0 HD12 LEU A 52 6.039 -3.985 -9.043 1.00 0.00 H new ATOM 0 HD13 LEU A 52 7.378 -5.151 -9.158 1.00 0.00 H new ATOM 0 HD21 LEU A 52 7.508 -5.693 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.970 -5.390 -7.054 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.613 -4.372 -5.638 1.00 0.00 H new ATOM 714 N ASP A 53 10.199 -0.513 -8.367 1.00 0.00 N ATOM 715 CA ASP A 53 11.316 0.165 -9.003 1.00 0.00 C ATOM 716 C ASP A 53 12.250 0.721 -7.925 1.00 0.00 C ATOM 717 O ASP A 53 13.458 0.493 -7.967 1.00 0.00 O ATOM 718 CB ASP A 53 10.834 1.336 -9.861 1.00 0.00 C ATOM 719 CG ASP A 53 11.929 2.311 -10.298 1.00 0.00 C ATOM 720 OD1 ASP A 53 12.946 1.820 -10.833 1.00 0.00 O ATOM 721 OD2 ASP A 53 11.723 3.526 -10.087 1.00 0.00 O ATOM 0 H ASP A 53 9.278 -0.186 -8.660 1.00 0.00 H new ATOM 0 HA ASP A 53 11.832 -0.557 -9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 53 10.346 0.938 -10.751 1.00 0.00 H new ATOM 0 HB3 ASP A 53 10.078 1.889 -9.303 1.00 0.00 H new ATOM 726 N GLY A 54 11.654 1.440 -6.986 1.00 0.00 N ATOM 727 CA GLY A 54 12.417 2.031 -5.899 1.00 0.00 C ATOM 728 C GLY A 54 12.241 1.231 -4.607 1.00 0.00 C ATOM 729 O GLY A 54 11.690 1.736 -3.630 1.00 0.00 O ATOM 0 H GLY A 54 10.652 1.627 -6.955 1.00 0.00 H new ATOM 0 HA2 GLY A 54 13.473 2.066 -6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.094 3.060 -5.741 1.00 0.00 H new ATOM 733 N GLY A 55 12.719 -0.004 -4.644 1.00 0.00 N ATOM 734 CA GLY A 55 12.621 -0.879 -3.488 1.00 0.00 C ATOM 735 C GLY A 55 14.008 -1.320 -3.016 1.00 0.00 C ATOM 736 O GLY A 55 14.399 -1.041 -1.883 1.00 0.00 O ATOM 0 H GLY A 55 13.175 -0.420 -5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 55 12.105 -0.362 -2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 55 12.023 -1.755 -3.740 1.00 0.00 H new ATOM 740 N GLY A 56 14.713 -2.002 -3.907 1.00 0.00 N ATOM 741 CA GLY A 56 16.047 -2.484 -3.595 1.00 0.00 C ATOM 742 C GLY A 56 16.004 -3.928 -3.090 1.00 0.00 C ATOM 743 O GLY A 56 16.010 -4.167 -1.883 1.00 0.00 O ATOM 0 H GLY A 56 14.385 -2.232 -4.845 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.676 -2.424 -4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 56 16.501 -1.844 -2.839 1.00 0.00 H new ATOM 747 N SER A 57 15.963 -4.852 -4.038 1.00 0.00 N ATOM 748 CA SER A 57 15.919 -6.265 -3.704 1.00 0.00 C ATOM 749 C SER A 57 16.253 -7.105 -4.939 1.00 0.00 C ATOM 750 O SER A 57 15.568 -7.019 -5.957 1.00 0.00 O ATOM 751 CB SER A 57 14.548 -6.658 -3.150 1.00 0.00 C ATOM 752 OG SER A 57 14.592 -7.896 -2.445 1.00 0.00 O ATOM 0 H SER A 57 15.959 -4.650 -5.038 1.00 0.00 H new ATOM 0 HA SER A 57 16.662 -6.457 -2.930 1.00 0.00 H new ATOM 0 HB2 SER A 57 14.188 -5.874 -2.484 1.00 0.00 H new ATOM 0 HB3 SER A 57 13.834 -6.733 -3.970 1.00 0.00 H new ATOM 0 HG SER A 57 13.698 -8.111 -2.106 1.00 0.00 H new ATOM 758 N GLY A 58 17.307 -7.898 -4.808 1.00 0.00 N ATOM 759 CA GLY A 58 17.740 -8.753 -5.900 1.00 0.00 C ATOM 760 C GLY A 58 18.413 -10.021 -5.371 1.00 0.00 C ATOM 761 O GLY A 58 19.603 -10.014 -5.061 1.00 0.00 O ATOM 0 H GLY A 58 17.873 -7.966 -3.962 1.00 0.00 H new ATOM 0 HA2 GLY A 58 16.883 -9.023 -6.517 1.00 0.00 H new ATOM 0 HA3 GLY A 58 18.435 -8.208 -6.539 1.00 0.00 H new ATOM 765 N PRO A 59 17.600 -11.108 -5.281 1.00 0.00 N ATOM 766 CA PRO A 59 18.104 -12.381 -4.794 1.00 0.00 C ATOM 767 C PRO A 59 18.967 -13.070 -5.853 1.00 0.00 C ATOM 768 O PRO A 59 20.115 -13.423 -5.590 1.00 0.00 O ATOM 769 CB PRO A 59 16.864 -13.180 -4.426 1.00 0.00 C ATOM 770 CG PRO A 59 15.707 -12.511 -5.150 1.00 0.00 C ATOM 771 CD PRO A 59 16.185 -11.154 -5.639 1.00 0.00 C ATOM 0 HA PRO A 59 18.761 -12.271 -3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 59 16.966 -14.221 -4.731 1.00 0.00 H new ATOM 0 HB3 PRO A 59 16.704 -13.178 -3.348 1.00 0.00 H new ATOM 0 HG2 PRO A 59 15.376 -13.124 -5.988 1.00 0.00 H new ATOM 0 HG3 PRO A 59 14.853 -12.397 -4.482 1.00 0.00 H new ATOM 0 HD2 PRO A 59 16.045 -11.049 -6.715 1.00 0.00 H new ATOM 0 HD3 PRO A 59 15.630 -10.344 -5.165 1.00 0.00 H new ATOM 779 N SER A 60 18.380 -13.241 -7.029 1.00 0.00 N ATOM 780 CA SER A 60 19.081 -13.882 -8.128 1.00 0.00 C ATOM 781 C SER A 60 18.705 -13.210 -9.450 1.00 0.00 C ATOM 782 O SER A 60 17.696 -13.556 -10.062 1.00 0.00 O ATOM 783 CB SER A 60 18.765 -15.378 -8.185 1.00 0.00 C ATOM 784 OG SER A 60 19.814 -16.122 -8.800 1.00 0.00 O ATOM 0 H SER A 60 17.427 -12.947 -7.244 1.00 0.00 H new ATOM 0 HA SER A 60 20.153 -13.771 -7.962 1.00 0.00 H new ATOM 0 HB2 SER A 60 18.599 -15.752 -7.175 1.00 0.00 H new ATOM 0 HB3 SER A 60 17.839 -15.532 -8.738 1.00 0.00 H new ATOM 0 HG SER A 60 19.575 -17.072 -8.816 1.00 0.00 H new ATOM 790 N SER A 61 19.538 -12.261 -9.852 1.00 0.00 N ATOM 791 CA SER A 61 19.307 -11.537 -11.090 1.00 0.00 C ATOM 792 C SER A 61 20.053 -12.216 -12.241 1.00 0.00 C ATOM 793 O SER A 61 21.248 -12.489 -12.135 1.00 0.00 O ATOM 794 CB SER A 61 19.743 -10.076 -10.964 1.00 0.00 C ATOM 795 OG SER A 61 21.111 -9.958 -10.583 1.00 0.00 O ATOM 0 H SER A 61 20.374 -11.977 -9.342 1.00 0.00 H new ATOM 0 HA SER A 61 18.237 -11.552 -11.300 1.00 0.00 H new ATOM 0 HB2 SER A 61 19.587 -9.568 -11.915 1.00 0.00 H new ATOM 0 HB3 SER A 61 19.117 -9.573 -10.227 1.00 0.00 H new ATOM 0 HG SER A 61 21.598 -10.763 -10.859 1.00 0.00 H new ATOM 801 N GLY A 62 19.317 -12.468 -13.314 1.00 0.00 N ATOM 802 CA GLY A 62 19.894 -13.110 -14.482 1.00 0.00 C ATOM 803 C GLY A 62 20.070 -14.612 -14.253 1.00 0.00 C ATOM 804 O GLY A 62 21.186 -15.126 -14.306 1.00 0.00 O ATOM 0 H GLY A 62 18.327 -12.239 -13.398 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.252 -12.943 -15.347 1.00 0.00 H new ATOM 0 HA3 GLY A 62 20.859 -12.658 -14.710 1.00 0.00 H new TER 808 GLY A 62