USER MOD reduce.3.24.130724 H: found=0, std=0, add=411, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 410 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 MET CE :methyl 159:sc= -0.177 (180deg=-1.06) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -158:sc= -0.308 (180deg=-0.737) USER MOD Single : A 26 TYR OH : rot 53:sc= -4.46! USER MOD Single : A 32 SER OG : rot 180:sc= -0.153 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.045) USER MOD Single : A 42 LYS NZ :NH3+ -91:sc= -0.0258 (180deg=-0.0491) USER MOD Single : A 43 ASN : amide:sc= -0.199 K(o=-0.2,f=-2.5!) USER MOD Single : A 45 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 150:sc= -2.76! USER MOD Single : A 52 ASN : amide:sc= -1.12 K(o=-1.1,f=-9!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 63:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 44 N LYS A 3 39.174 54.275 -36.721 1.00 0.00 N ATOM 45 CA LYS A 3 39.085 55.157 -37.918 1.00 0.00 C ATOM 46 C LYS A 3 38.968 56.612 -37.470 1.00 0.00 C ATOM 47 O LYS A 3 37.898 57.083 -37.144 1.00 0.00 O ATOM 48 CB LYS A 3 37.844 54.785 -38.728 1.00 0.00 C ATOM 49 CG LYS A 3 38.234 53.832 -39.860 1.00 0.00 C ATOM 50 CD LYS A 3 36.969 53.276 -40.517 1.00 0.00 C ATOM 51 CE LYS A 3 37.163 51.790 -40.824 1.00 0.00 C ATOM 52 NZ LYS A 3 35.962 51.029 -40.377 1.00 0.00 N ATOM 0 HA LYS A 3 39.979 55.031 -38.529 1.00 0.00 H new ATOM 0 HB2 LYS A 3 37.104 54.314 -38.082 1.00 0.00 H new ATOM 0 HB3 LYS A 3 37.383 55.683 -39.138 1.00 0.00 H new ATOM 0 HG2 LYS A 3 38.840 54.356 -40.599 1.00 0.00 H new ATOM 0 HG3 LYS A 3 38.843 53.016 -39.470 1.00 0.00 H new ATOM 0 HD2 LYS A 3 36.113 53.413 -39.856 1.00 0.00 H new ATOM 0 HD3 LYS A 3 36.753 53.823 -41.435 1.00 0.00 H new ATOM 0 HE2 LYS A 3 37.321 51.646 -41.893 1.00 0.00 H new ATOM 0 HE3 LYS A 3 38.053 51.416 -40.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 36.094 50.019 -40.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 35.831 51.157 -39.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 35.122 51.380 -40.880 1.00 0.00 H new ATOM 66 N VAL A 4 40.057 57.332 -37.445 1.00 0.00 N ATOM 67 CA VAL A 4 39.991 58.755 -37.006 1.00 0.00 C ATOM 68 C VAL A 4 39.030 59.528 -37.917 1.00 0.00 C ATOM 69 O VAL A 4 39.272 59.693 -39.096 1.00 0.00 O ATOM 70 CB VAL A 4 41.382 59.380 -37.087 1.00 0.00 C ATOM 71 CG1 VAL A 4 41.774 59.586 -38.551 1.00 0.00 C ATOM 72 CG2 VAL A 4 41.373 60.727 -36.372 1.00 0.00 C ATOM 0 H VAL A 4 40.984 56.999 -37.708 1.00 0.00 H new ATOM 0 HA VAL A 4 39.632 58.800 -35.978 1.00 0.00 H new ATOM 0 HB VAL A 4 42.103 58.715 -36.612 1.00 0.00 H new ATOM 0 HG11 VAL A 4 42.767 60.032 -38.602 1.00 0.00 H new ATOM 0 HG12 VAL A 4 41.781 58.625 -39.065 1.00 0.00 H new ATOM 0 HG13 VAL A 4 41.053 60.248 -39.031 1.00 0.00 H new ATOM 0 HG21 VAL A 4 42.365 61.175 -36.428 1.00 0.00 H new ATOM 0 HG22 VAL A 4 40.649 61.387 -36.849 1.00 0.00 H new ATOM 0 HG23 VAL A 4 41.099 60.582 -35.327 1.00 0.00 H new ATOM 82 N VAL A 5 37.934 59.984 -37.384 1.00 0.00 N ATOM 83 CA VAL A 5 36.948 60.727 -38.216 1.00 0.00 C ATOM 84 C VAL A 5 37.236 62.230 -38.217 1.00 0.00 C ATOM 85 O VAL A 5 37.374 62.843 -37.187 1.00 0.00 O ATOM 86 CB VAL A 5 35.550 60.465 -37.673 1.00 0.00 C ATOM 87 CG1 VAL A 5 35.578 60.613 -36.156 1.00 0.00 C ATOM 88 CG2 VAL A 5 34.574 61.474 -38.273 1.00 0.00 C ATOM 0 H VAL A 5 37.676 59.874 -36.403 1.00 0.00 H new ATOM 0 HA VAL A 5 37.024 60.377 -39.245 1.00 0.00 H new ATOM 0 HB VAL A 5 35.228 59.458 -37.939 1.00 0.00 H new ATOM 0 HG11 VAL A 5 34.582 60.428 -35.754 1.00 0.00 H new ATOM 0 HG12 VAL A 5 36.280 59.894 -35.733 1.00 0.00 H new ATOM 0 HG13 VAL A 5 35.893 61.623 -35.895 1.00 0.00 H new ATOM 0 HG21 VAL A 5 33.573 61.287 -37.885 1.00 0.00 H new ATOM 0 HG22 VAL A 5 34.884 62.484 -38.005 1.00 0.00 H new ATOM 0 HG23 VAL A 5 34.567 61.372 -39.358 1.00 0.00 H new ATOM 98 N ALA A 6 37.294 62.832 -39.370 1.00 0.00 N ATOM 99 CA ALA A 6 37.554 64.299 -39.440 1.00 0.00 C ATOM 100 C ALA A 6 36.629 65.052 -38.476 1.00 0.00 C ATOM 101 O ALA A 6 35.819 64.463 -37.787 1.00 0.00 O ATOM 102 CB ALA A 6 37.280 64.780 -40.864 1.00 0.00 C ATOM 0 H ALA A 6 37.172 62.371 -40.272 1.00 0.00 H new ATOM 0 HA ALA A 6 38.590 64.491 -39.162 1.00 0.00 H new ATOM 0 HB1 ALA A 6 37.467 65.852 -40.928 1.00 0.00 H new ATOM 0 HB2 ALA A 6 37.937 64.255 -41.558 1.00 0.00 H new ATOM 0 HB3 ALA A 6 36.241 64.576 -41.123 1.00 0.00 H new ATOM 108 N LEU A 7 36.753 66.356 -38.416 1.00 0.00 N ATOM 109 CA LEU A 7 35.891 67.151 -37.490 1.00 0.00 C ATOM 110 C LEU A 7 35.584 68.522 -38.094 1.00 0.00 C ATOM 111 O LEU A 7 34.444 68.859 -38.343 1.00 0.00 O ATOM 112 CB LEU A 7 36.629 67.358 -36.164 1.00 0.00 C ATOM 113 CG LEU A 7 35.714 67.029 -34.984 1.00 0.00 C ATOM 114 CD1 LEU A 7 34.679 68.142 -34.815 1.00 0.00 C ATOM 115 CD2 LEU A 7 35.001 65.698 -35.233 1.00 0.00 C ATOM 0 H LEU A 7 37.414 66.902 -38.968 1.00 0.00 H new ATOM 0 HA LEU A 7 34.959 66.609 -37.328 1.00 0.00 H new ATOM 0 HB2 LEU A 7 37.515 66.725 -36.132 1.00 0.00 H new ATOM 0 HB3 LEU A 7 36.972 68.390 -36.089 1.00 0.00 H new ATOM 0 HG LEU A 7 36.313 66.948 -34.077 1.00 0.00 H new ATOM 0 HD11 LEU A 7 34.027 67.908 -33.974 1.00 0.00 H new ATOM 0 HD12 LEU A 7 35.188 69.087 -34.627 1.00 0.00 H new ATOM 0 HD13 LEU A 7 34.083 68.226 -35.724 1.00 0.00 H new ATOM 0 HD21 LEU A 7 34.351 65.470 -34.388 1.00 0.00 H new ATOM 0 HD22 LEU A 7 34.404 65.770 -36.142 1.00 0.00 H new ATOM 0 HD23 LEU A 7 35.740 64.905 -35.346 1.00 0.00 H new ATOM 127 N TYR A 8 36.590 69.330 -38.305 1.00 0.00 N ATOM 128 CA TYR A 8 36.346 70.691 -38.863 1.00 0.00 C ATOM 129 C TYR A 8 36.919 70.803 -40.280 1.00 0.00 C ATOM 130 O TYR A 8 37.095 71.886 -40.801 1.00 0.00 O ATOM 131 CB TYR A 8 37.009 71.724 -37.952 1.00 0.00 C ATOM 132 CG TYR A 8 36.727 71.365 -36.511 1.00 0.00 C ATOM 133 CD1 TYR A 8 35.494 71.698 -35.934 1.00 0.00 C ATOM 134 CD2 TYR A 8 37.697 70.699 -35.751 1.00 0.00 C ATOM 135 CE1 TYR A 8 35.233 71.366 -34.600 1.00 0.00 C ATOM 136 CE2 TYR A 8 37.435 70.367 -34.417 1.00 0.00 C ATOM 137 CZ TYR A 8 36.202 70.701 -33.841 1.00 0.00 C ATOM 138 OH TYR A 8 35.944 70.374 -32.526 1.00 0.00 O ATOM 0 H TYR A 8 37.567 69.106 -38.115 1.00 0.00 H new ATOM 0 HA TYR A 8 35.272 70.872 -38.913 1.00 0.00 H new ATOM 0 HB2 TYR A 8 38.084 71.748 -38.130 1.00 0.00 H new ATOM 0 HB3 TYR A 8 36.627 72.721 -38.173 1.00 0.00 H new ATOM 0 HD1 TYR A 8 34.745 72.211 -36.519 1.00 0.00 H new ATOM 0 HD2 TYR A 8 38.647 70.442 -36.195 1.00 0.00 H new ATOM 0 HE1 TYR A 8 34.283 71.623 -34.156 1.00 0.00 H new ATOM 0 HE2 TYR A 8 38.183 69.853 -33.831 1.00 0.00 H new ATOM 0 HH TYR A 8 36.721 69.915 -32.145 1.00 0.00 H new ATOM 148 N ASP A 9 37.192 69.697 -40.914 1.00 0.00 N ATOM 149 CA ASP A 9 37.731 69.746 -42.305 1.00 0.00 C ATOM 150 C ASP A 9 39.177 70.247 -42.295 1.00 0.00 C ATOM 151 O ASP A 9 39.611 70.921 -41.381 1.00 0.00 O ATOM 152 CB ASP A 9 36.873 70.691 -43.148 1.00 0.00 C ATOM 153 CG ASP A 9 37.167 70.459 -44.632 1.00 0.00 C ATOM 154 OD1 ASP A 9 38.283 70.730 -45.044 1.00 0.00 O ATOM 155 OD2 ASP A 9 36.270 70.016 -45.330 1.00 0.00 O ATOM 0 H ASP A 9 37.066 68.760 -40.530 1.00 0.00 H new ATOM 0 HA ASP A 9 37.706 68.743 -42.731 1.00 0.00 H new ATOM 0 HB2 ASP A 9 35.816 70.519 -42.944 1.00 0.00 H new ATOM 0 HB3 ASP A 9 37.085 71.727 -42.882 1.00 0.00 H new ATOM 160 N TYR A 10 39.923 69.922 -43.316 1.00 0.00 N ATOM 161 CA TYR A 10 41.341 70.369 -43.391 1.00 0.00 C ATOM 162 C TYR A 10 41.809 70.293 -44.846 1.00 0.00 C ATOM 163 O TYR A 10 41.036 70.009 -45.738 1.00 0.00 O ATOM 164 CB TYR A 10 42.211 69.456 -42.525 1.00 0.00 C ATOM 165 CG TYR A 10 43.288 70.275 -41.853 1.00 0.00 C ATOM 166 CD1 TYR A 10 42.940 71.259 -40.921 1.00 0.00 C ATOM 167 CD2 TYR A 10 44.635 70.049 -42.163 1.00 0.00 C ATOM 168 CE1 TYR A 10 43.938 72.018 -40.297 1.00 0.00 C ATOM 169 CE2 TYR A 10 45.633 70.809 -41.540 1.00 0.00 C ATOM 170 CZ TYR A 10 45.284 71.792 -40.607 1.00 0.00 C ATOM 171 OH TYR A 10 46.269 72.540 -39.993 1.00 0.00 O ATOM 0 H TYR A 10 39.607 69.361 -44.107 1.00 0.00 H new ATOM 0 HA TYR A 10 41.425 71.394 -43.029 1.00 0.00 H new ATOM 0 HB2 TYR A 10 41.598 68.956 -41.775 1.00 0.00 H new ATOM 0 HB3 TYR A 10 42.662 68.676 -43.139 1.00 0.00 H new ATOM 0 HD1 TYR A 10 41.901 71.433 -40.683 1.00 0.00 H new ATOM 0 HD2 TYR A 10 44.904 69.289 -42.882 1.00 0.00 H new ATOM 0 HE1 TYR A 10 43.669 72.777 -39.577 1.00 0.00 H new ATOM 0 HE2 TYR A 10 46.672 70.636 -41.780 1.00 0.00 H new ATOM 0 HH TYR A 10 47.148 72.255 -40.320 1.00 0.00 H new ATOM 181 N MET A 11 43.065 70.542 -45.096 1.00 0.00 N ATOM 182 CA MET A 11 43.567 70.481 -46.491 1.00 0.00 C ATOM 183 C MET A 11 45.077 70.223 -46.485 1.00 0.00 C ATOM 184 O MET A 11 45.744 70.479 -45.503 1.00 0.00 O ATOM 185 CB MET A 11 43.276 71.806 -47.198 1.00 0.00 C ATOM 186 CG MET A 11 43.363 72.954 -46.191 1.00 0.00 C ATOM 187 SD MET A 11 43.480 74.528 -47.078 1.00 0.00 S ATOM 188 CE MET A 11 41.917 74.398 -47.979 1.00 0.00 C ATOM 0 H MET A 11 43.763 70.785 -44.393 1.00 0.00 H new ATOM 0 HA MET A 11 43.065 69.670 -47.020 1.00 0.00 H new ATOM 0 HB2 MET A 11 43.990 71.963 -48.006 1.00 0.00 H new ATOM 0 HB3 MET A 11 42.284 71.779 -47.649 1.00 0.00 H new ATOM 0 HG2 MET A 11 42.485 72.953 -45.545 1.00 0.00 H new ATOM 0 HG3 MET A 11 44.232 72.822 -45.547 1.00 0.00 H new ATOM 0 HE1 MET A 11 41.596 75.390 -48.296 1.00 0.00 H new ATOM 0 HE2 MET A 11 42.054 73.763 -48.855 1.00 0.00 H new ATOM 0 HE3 MET A 11 41.158 73.962 -47.330 1.00 0.00 H new ATOM 198 N PRO A 12 45.567 69.723 -47.591 1.00 0.00 N ATOM 199 CA PRO A 12 46.999 69.415 -47.757 1.00 0.00 C ATOM 200 C PRO A 12 47.792 70.696 -48.030 1.00 0.00 C ATOM 201 O PRO A 12 47.471 71.458 -48.920 1.00 0.00 O ATOM 202 CB PRO A 12 47.026 68.485 -48.975 1.00 0.00 C ATOM 203 CG PRO A 12 45.726 68.764 -49.765 1.00 0.00 C ATOM 204 CD PRO A 12 44.741 69.418 -48.777 1.00 0.00 C ATOM 0 HA PRO A 12 47.447 68.964 -46.872 1.00 0.00 H new ATOM 0 HB2 PRO A 12 47.904 68.677 -49.591 1.00 0.00 H new ATOM 0 HB3 PRO A 12 47.076 67.441 -48.666 1.00 0.00 H new ATOM 0 HG2 PRO A 12 45.921 69.423 -50.611 1.00 0.00 H new ATOM 0 HG3 PRO A 12 45.313 67.840 -50.169 1.00 0.00 H new ATOM 0 HD2 PRO A 12 44.297 70.321 -49.196 1.00 0.00 H new ATOM 0 HD3 PRO A 12 43.920 68.745 -48.529 1.00 0.00 H new ATOM 266 N ASP A 17 48.831 66.117 -46.041 1.00 0.00 N ATOM 267 CA ASP A 17 47.626 65.963 -45.179 1.00 0.00 C ATOM 268 C ASP A 17 46.408 65.678 -46.060 1.00 0.00 C ATOM 269 O ASP A 17 46.254 66.253 -47.119 1.00 0.00 O ATOM 270 CB ASP A 17 47.394 67.254 -44.391 1.00 0.00 C ATOM 271 CG ASP A 17 48.729 67.772 -43.854 1.00 0.00 C ATOM 272 OD1 ASP A 17 49.400 68.488 -44.579 1.00 0.00 O ATOM 273 OD2 ASP A 17 49.060 67.442 -42.726 1.00 0.00 O ATOM 0 HA ASP A 17 47.777 65.137 -44.484 1.00 0.00 H new ATOM 0 HB2 ASP A 17 46.932 68.005 -45.031 1.00 0.00 H new ATOM 0 HB3 ASP A 17 46.705 67.070 -43.567 1.00 0.00 H new ATOM 278 N LEU A 18 45.538 64.796 -45.641 1.00 0.00 N ATOM 279 CA LEU A 18 44.339 64.492 -46.475 1.00 0.00 C ATOM 280 C LEU A 18 43.288 65.581 -46.267 1.00 0.00 C ATOM 281 O LEU A 18 43.025 66.002 -45.159 1.00 0.00 O ATOM 282 CB LEU A 18 43.754 63.141 -46.040 1.00 0.00 C ATOM 283 CG LEU A 18 44.165 61.977 -46.972 1.00 0.00 C ATOM 284 CD1 LEU A 18 45.261 62.380 -47.971 1.00 0.00 C ATOM 285 CD2 LEU A 18 44.683 60.830 -46.106 1.00 0.00 C ATOM 0 H LEU A 18 45.605 64.277 -44.765 1.00 0.00 H new ATOM 0 HA LEU A 18 44.624 64.453 -47.526 1.00 0.00 H new ATOM 0 HB2 LEU A 18 44.082 62.919 -45.024 1.00 0.00 H new ATOM 0 HB3 LEU A 18 42.667 63.213 -46.015 1.00 0.00 H new ATOM 0 HG LEU A 18 43.289 61.683 -47.550 1.00 0.00 H new ATOM 0 HD11 LEU A 18 45.512 61.526 -48.600 1.00 0.00 H new ATOM 0 HD12 LEU A 18 44.901 63.198 -48.595 1.00 0.00 H new ATOM 0 HD13 LEU A 18 46.149 62.702 -47.427 1.00 0.00 H new ATOM 0 HD21 LEU A 18 44.979 59.997 -46.744 1.00 0.00 H new ATOM 0 HD22 LEU A 18 45.544 61.169 -45.530 1.00 0.00 H new ATOM 0 HD23 LEU A 18 43.896 60.504 -45.425 1.00 0.00 H new ATOM 297 N GLN A 19 42.675 66.036 -47.327 1.00 0.00 N ATOM 298 CA GLN A 19 41.630 67.086 -47.184 1.00 0.00 C ATOM 299 C GLN A 19 40.464 66.499 -46.392 1.00 0.00 C ATOM 300 O GLN A 19 39.821 65.561 -46.821 1.00 0.00 O ATOM 301 CB GLN A 19 41.145 67.525 -48.568 1.00 0.00 C ATOM 302 CG GLN A 19 40.057 68.589 -48.414 1.00 0.00 C ATOM 303 CD GLN A 19 39.770 69.228 -49.775 1.00 0.00 C ATOM 304 OE1 GLN A 19 40.158 70.351 -50.025 1.00 0.00 O ATOM 305 NE2 GLN A 19 39.101 68.554 -50.670 1.00 0.00 N ATOM 0 H GLN A 19 42.853 65.726 -48.282 1.00 0.00 H new ATOM 0 HA GLN A 19 42.038 67.953 -46.664 1.00 0.00 H new ATOM 0 HB2 GLN A 19 41.978 67.923 -49.148 1.00 0.00 H new ATOM 0 HB3 GLN A 19 40.755 66.668 -49.117 1.00 0.00 H new ATOM 0 HG2 GLN A 19 39.149 68.140 -48.013 1.00 0.00 H new ATOM 0 HG3 GLN A 19 40.377 69.351 -47.703 1.00 0.00 H new ATOM 0 HE21 GLN A 19 38.775 67.611 -50.460 1.00 0.00 H new ATOM 0 HE22 GLN A 19 38.904 68.971 -51.580 1.00 0.00 H new ATOM 314 N LEU A 20 40.196 67.023 -45.230 1.00 0.00 N ATOM 315 CA LEU A 20 39.087 66.468 -44.410 1.00 0.00 C ATOM 316 C LEU A 20 37.745 67.030 -44.873 1.00 0.00 C ATOM 317 O LEU A 20 37.674 68.052 -45.527 1.00 0.00 O ATOM 318 CB LEU A 20 39.310 66.827 -42.943 1.00 0.00 C ATOM 319 CG LEU A 20 40.636 66.234 -42.453 1.00 0.00 C ATOM 320 CD1 LEU A 20 40.518 65.927 -40.965 1.00 0.00 C ATOM 321 CD2 LEU A 20 40.962 64.938 -43.213 1.00 0.00 C ATOM 0 H LEU A 20 40.695 67.809 -44.814 1.00 0.00 H new ATOM 0 HA LEU A 20 39.073 65.384 -44.528 1.00 0.00 H new ATOM 0 HB2 LEU A 20 39.320 67.910 -42.823 1.00 0.00 H new ATOM 0 HB3 LEU A 20 38.487 66.447 -42.338 1.00 0.00 H new ATOM 0 HG LEU A 20 41.435 66.954 -42.631 1.00 0.00 H new ATOM 0 HD11 LEU A 20 41.456 65.504 -40.605 1.00 0.00 H new ATOM 0 HD12 LEU A 20 40.301 66.846 -40.420 1.00 0.00 H new ATOM 0 HD13 LEU A 20 39.712 65.211 -40.804 1.00 0.00 H new ATOM 0 HD21 LEU A 20 41.907 64.532 -42.851 1.00 0.00 H new ATOM 0 HD22 LEU A 20 40.167 64.210 -43.049 1.00 0.00 H new ATOM 0 HD23 LEU A 20 41.043 65.152 -44.279 1.00 0.00 H new ATOM 333 N ARG A 21 36.681 66.365 -44.526 1.00 0.00 N ATOM 334 CA ARG A 21 35.330 66.847 -44.924 1.00 0.00 C ATOM 335 C ARG A 21 34.392 66.713 -43.730 1.00 0.00 C ATOM 336 O ARG A 21 33.200 66.532 -43.874 1.00 0.00 O ATOM 337 CB ARG A 21 34.806 66.012 -46.093 1.00 0.00 C ATOM 338 CG ARG A 21 35.239 66.651 -47.414 1.00 0.00 C ATOM 339 CD ARG A 21 34.113 66.520 -48.440 1.00 0.00 C ATOM 340 NE ARG A 21 34.536 67.143 -49.726 1.00 0.00 N ATOM 341 CZ ARG A 21 33.991 68.261 -50.121 1.00 0.00 C ATOM 342 NH1 ARG A 21 32.984 68.241 -50.949 1.00 0.00 N ATOM 343 NH2 ARG A 21 34.455 69.401 -49.685 1.00 0.00 N ATOM 0 H ARG A 21 36.688 65.503 -43.981 1.00 0.00 H new ATOM 0 HA ARG A 21 35.385 67.890 -45.236 1.00 0.00 H new ATOM 0 HB2 ARG A 21 35.190 64.994 -46.027 1.00 0.00 H new ATOM 0 HB3 ARG A 21 33.719 65.947 -46.048 1.00 0.00 H new ATOM 0 HG2 ARG A 21 35.483 67.702 -47.259 1.00 0.00 H new ATOM 0 HG3 ARG A 21 36.142 66.166 -47.786 1.00 0.00 H new ATOM 0 HD2 ARG A 21 33.869 65.469 -48.596 1.00 0.00 H new ATOM 0 HD3 ARG A 21 33.210 67.005 -48.069 1.00 0.00 H new ATOM 0 HE ARG A 21 35.252 66.695 -50.298 1.00 0.00 H new ATOM 0 HH11 ARG A 21 32.621 67.351 -51.289 1.00 0.00 H new ATOM 0 HH12 ARG A 21 32.559 69.116 -51.257 1.00 0.00 H new ATOM 0 HH21 ARG A 21 35.242 69.417 -49.037 1.00 0.00 H new ATOM 0 HH22 ARG A 21 34.030 70.276 -49.993 1.00 0.00 H new ATOM 357 N LYS A 22 34.944 66.810 -42.554 1.00 0.00 N ATOM 358 CA LYS A 22 34.136 66.699 -41.305 1.00 0.00 C ATOM 359 C LYS A 22 33.004 65.687 -41.486 1.00 0.00 C ATOM 360 O LYS A 22 31.948 66.008 -41.995 1.00 0.00 O ATOM 361 CB LYS A 22 33.531 68.062 -40.962 1.00 0.00 C ATOM 362 CG LYS A 22 34.572 69.160 -41.167 1.00 0.00 C ATOM 363 CD LYS A 22 33.865 70.483 -41.471 1.00 0.00 C ATOM 364 CE LYS A 22 33.102 70.952 -40.231 1.00 0.00 C ATOM 365 NZ LYS A 22 33.492 72.355 -39.910 1.00 0.00 N ATOM 0 H LYS A 22 35.941 66.965 -42.401 1.00 0.00 H new ATOM 0 HA LYS A 22 34.790 66.365 -40.500 1.00 0.00 H new ATOM 0 HB2 LYS A 22 32.661 68.252 -41.591 1.00 0.00 H new ATOM 0 HB3 LYS A 22 33.184 68.066 -39.929 1.00 0.00 H new ATOM 0 HG2 LYS A 22 35.189 69.262 -40.274 1.00 0.00 H new ATOM 0 HG3 LYS A 22 35.239 68.895 -41.987 1.00 0.00 H new ATOM 0 HD2 LYS A 22 34.594 71.237 -41.769 1.00 0.00 H new ATOM 0 HD3 LYS A 22 33.178 70.356 -42.307 1.00 0.00 H new ATOM 0 HE2 LYS A 22 32.028 70.893 -40.407 1.00 0.00 H new ATOM 0 HE3 LYS A 22 33.323 70.299 -39.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 33.290 72.551 -38.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 34.509 72.482 -40.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 32.950 73.011 -40.508 1.00 0.00 H new ATOM 379 N GLY A 23 33.205 64.471 -41.065 1.00 0.00 N ATOM 380 CA GLY A 23 32.127 63.454 -41.213 1.00 0.00 C ATOM 381 C GLY A 23 32.736 62.148 -41.711 1.00 0.00 C ATOM 382 O GLY A 23 32.787 61.165 -40.999 1.00 0.00 O ATOM 0 H GLY A 23 34.064 64.138 -40.627 1.00 0.00 H new ATOM 0 HA2 GLY A 23 31.627 63.295 -40.258 1.00 0.00 H new ATOM 0 HA3 GLY A 23 31.371 63.807 -41.914 1.00 0.00 H new ATOM 386 N ASP A 24 33.212 62.130 -42.923 1.00 0.00 N ATOM 387 CA ASP A 24 33.830 60.886 -43.448 1.00 0.00 C ATOM 388 C ASP A 24 34.925 60.454 -42.479 1.00 0.00 C ATOM 389 O ASP A 24 35.773 61.239 -42.103 1.00 0.00 O ATOM 390 CB ASP A 24 34.436 61.151 -44.824 1.00 0.00 C ATOM 391 CG ASP A 24 33.443 61.942 -45.678 1.00 0.00 C ATOM 392 OD1 ASP A 24 32.962 62.958 -45.203 1.00 0.00 O ATOM 393 OD2 ASP A 24 33.181 61.519 -46.792 1.00 0.00 O ATOM 0 H ASP A 24 33.200 62.919 -43.569 1.00 0.00 H new ATOM 0 HA ASP A 24 33.078 60.103 -43.542 1.00 0.00 H new ATOM 0 HB2 ASP A 24 35.367 61.708 -44.721 1.00 0.00 H new ATOM 0 HB3 ASP A 24 34.681 60.208 -45.313 1.00 0.00 H new ATOM 398 N GLU A 25 34.911 59.226 -42.055 1.00 0.00 N ATOM 399 CA GLU A 25 35.953 58.780 -41.094 1.00 0.00 C ATOM 400 C GLU A 25 37.216 58.367 -41.849 1.00 0.00 C ATOM 401 O GLU A 25 37.185 58.092 -43.031 1.00 0.00 O ATOM 402 CB GLU A 25 35.435 57.602 -40.272 1.00 0.00 C ATOM 403 CG GLU A 25 34.065 57.952 -39.689 1.00 0.00 C ATOM 404 CD GLU A 25 33.052 56.875 -40.081 1.00 0.00 C ATOM 405 OE1 GLU A 25 33.475 55.763 -40.352 1.00 0.00 O ATOM 406 OE2 GLU A 25 31.872 57.180 -40.106 1.00 0.00 O ATOM 0 H GLU A 25 34.231 58.517 -42.328 1.00 0.00 H new ATOM 0 HA GLU A 25 36.191 59.606 -40.423 1.00 0.00 H new ATOM 0 HB2 GLU A 25 35.360 56.713 -40.898 1.00 0.00 H new ATOM 0 HB3 GLU A 25 36.135 57.369 -39.470 1.00 0.00 H new ATOM 0 HG2 GLU A 25 34.129 58.028 -38.604 1.00 0.00 H new ATOM 0 HG3 GLU A 25 33.739 58.924 -40.058 1.00 0.00 H new ATOM 413 N TYR A 26 38.332 58.328 -41.170 1.00 0.00 N ATOM 414 CA TYR A 26 39.603 57.941 -41.843 1.00 0.00 C ATOM 415 C TYR A 26 40.226 56.745 -41.121 1.00 0.00 C ATOM 416 O TYR A 26 40.038 56.555 -39.936 1.00 0.00 O ATOM 417 CB TYR A 26 40.571 59.126 -41.804 1.00 0.00 C ATOM 418 CG TYR A 26 39.831 60.390 -42.167 1.00 0.00 C ATOM 419 CD1 TYR A 26 38.862 60.364 -43.176 1.00 0.00 C ATOM 420 CD2 TYR A 26 40.111 61.589 -41.499 1.00 0.00 C ATOM 421 CE1 TYR A 26 38.174 61.530 -43.519 1.00 0.00 C ATOM 422 CE2 TYR A 26 39.422 62.756 -41.843 1.00 0.00 C ATOM 423 CZ TYR A 26 38.453 62.727 -42.856 1.00 0.00 C ATOM 424 OH TYR A 26 37.775 63.877 -43.201 1.00 0.00 O ATOM 0 H TYR A 26 38.417 58.548 -40.178 1.00 0.00 H new ATOM 0 HA TYR A 26 39.400 57.666 -42.878 1.00 0.00 H new ATOM 0 HB2 TYR A 26 41.008 59.220 -40.810 1.00 0.00 H new ATOM 0 HB3 TYR A 26 41.394 58.961 -42.500 1.00 0.00 H new ATOM 0 HD1 TYR A 26 38.645 59.440 -43.691 1.00 0.00 H new ATOM 0 HD2 TYR A 26 40.858 61.612 -40.719 1.00 0.00 H new ATOM 0 HE1 TYR A 26 37.426 61.506 -44.297 1.00 0.00 H new ATOM 0 HE2 TYR A 26 39.636 63.681 -41.328 1.00 0.00 H new ATOM 0 HH TYR A 26 36.810 63.710 -43.168 1.00 0.00 H new ATOM 434 N PHE A 27 40.975 55.944 -41.829 1.00 0.00 N ATOM 435 CA PHE A 27 41.625 54.760 -41.196 1.00 0.00 C ATOM 436 C PHE A 27 43.109 55.059 -41.025 1.00 0.00 C ATOM 437 O PHE A 27 43.764 55.528 -41.933 1.00 0.00 O ATOM 438 CB PHE A 27 41.446 53.534 -42.094 1.00 0.00 C ATOM 439 CG PHE A 27 41.400 52.287 -41.244 1.00 0.00 C ATOM 440 CD1 PHE A 27 42.542 51.872 -40.548 1.00 0.00 C ATOM 441 CD2 PHE A 27 40.216 51.547 -41.152 1.00 0.00 C ATOM 442 CE1 PHE A 27 42.499 50.715 -39.760 1.00 0.00 C ATOM 443 CE2 PHE A 27 40.173 50.390 -40.364 1.00 0.00 C ATOM 444 CZ PHE A 27 41.315 49.974 -39.669 1.00 0.00 C ATOM 0 H PHE A 27 41.166 56.059 -42.824 1.00 0.00 H new ATOM 0 HA PHE A 27 41.171 54.556 -40.226 1.00 0.00 H new ATOM 0 HB2 PHE A 27 40.527 53.626 -42.673 1.00 0.00 H new ATOM 0 HB3 PHE A 27 42.268 53.470 -42.808 1.00 0.00 H new ATOM 0 HD1 PHE A 27 43.455 52.444 -40.619 1.00 0.00 H new ATOM 0 HD2 PHE A 27 39.335 51.868 -41.689 1.00 0.00 H new ATOM 0 HE1 PHE A 27 43.379 50.395 -39.223 1.00 0.00 H new ATOM 0 HE2 PHE A 27 39.259 49.819 -40.292 1.00 0.00 H new ATOM 0 HZ PHE A 27 41.282 49.081 -39.062 1.00 0.00 H new ATOM 454 N ILE A 28 43.642 54.818 -39.863 1.00 0.00 N ATOM 455 CA ILE A 28 45.078 55.124 -39.636 1.00 0.00 C ATOM 456 C ILE A 28 45.975 54.015 -40.161 1.00 0.00 C ATOM 457 O ILE A 28 46.251 53.045 -39.483 1.00 0.00 O ATOM 458 CB ILE A 28 45.329 55.308 -38.144 1.00 0.00 C ATOM 459 CG1 ILE A 28 44.235 56.200 -37.548 1.00 0.00 C ATOM 460 CG2 ILE A 28 46.696 55.964 -37.947 1.00 0.00 C ATOM 461 CD1 ILE A 28 43.909 57.349 -38.510 1.00 0.00 C ATOM 0 H ILE A 28 43.147 54.424 -39.063 1.00 0.00 H new ATOM 0 HA ILE A 28 45.316 56.040 -40.176 1.00 0.00 H new ATOM 0 HB ILE A 28 45.312 54.340 -37.643 1.00 0.00 H new ATOM 0 HG12 ILE A 28 43.338 55.610 -37.357 1.00 0.00 H new ATOM 0 HG13 ILE A 28 44.564 56.601 -36.589 1.00 0.00 H new ATOM 0 HG21 ILE A 28 46.884 56.100 -36.882 1.00 0.00 H new ATOM 0 HG22 ILE A 28 47.470 55.327 -38.374 1.00 0.00 H new ATOM 0 HG23 ILE A 28 46.709 56.934 -38.444 1.00 0.00 H new ATOM 0 HD11 ILE A 28 43.130 57.977 -38.077 1.00 0.00 H new ATOM 0 HD12 ILE A 28 44.805 57.947 -38.679 1.00 0.00 H new ATOM 0 HD13 ILE A 28 43.560 56.941 -39.459 1.00 0.00 H new ATOM 473 N LEU A 29 46.465 54.173 -41.355 1.00 0.00 N ATOM 474 CA LEU A 29 47.379 53.167 -41.922 1.00 0.00 C ATOM 475 C LEU A 29 48.689 53.197 -41.126 1.00 0.00 C ATOM 476 O LEU A 29 49.550 52.355 -41.293 1.00 0.00 O ATOM 477 CB LEU A 29 47.647 53.543 -43.378 1.00 0.00 C ATOM 478 CG LEU A 29 46.414 53.236 -44.228 1.00 0.00 C ATOM 479 CD1 LEU A 29 45.900 51.833 -43.911 1.00 0.00 C ATOM 480 CD2 LEU A 29 45.312 54.258 -43.941 1.00 0.00 C ATOM 0 H LEU A 29 46.265 54.967 -41.964 1.00 0.00 H new ATOM 0 HA LEU A 29 46.948 52.167 -41.870 1.00 0.00 H new ATOM 0 HB2 LEU A 29 47.895 54.602 -43.450 1.00 0.00 H new ATOM 0 HB3 LEU A 29 48.507 52.988 -43.754 1.00 0.00 H new ATOM 0 HG LEU A 29 46.691 53.291 -45.281 1.00 0.00 H new ATOM 0 HD11 LEU A 29 45.021 51.621 -44.520 1.00 0.00 H new ATOM 0 HD12 LEU A 29 46.678 51.102 -44.130 1.00 0.00 H new ATOM 0 HD13 LEU A 29 45.633 51.773 -42.856 1.00 0.00 H new ATOM 0 HD21 LEU A 29 44.438 54.031 -44.551 1.00 0.00 H new ATOM 0 HD22 LEU A 29 45.040 54.213 -42.886 1.00 0.00 H new ATOM 0 HD23 LEU A 29 45.672 55.258 -44.181 1.00 0.00 H new ATOM 492 N GLU A 30 48.844 54.168 -40.256 1.00 0.00 N ATOM 493 CA GLU A 30 50.090 54.262 -39.445 1.00 0.00 C ATOM 494 C GLU A 30 49.993 55.482 -38.524 1.00 0.00 C ATOM 495 O GLU A 30 49.132 56.324 -38.686 1.00 0.00 O ATOM 496 CB GLU A 30 51.297 54.415 -40.373 1.00 0.00 C ATOM 497 CG GLU A 30 52.385 53.420 -39.962 1.00 0.00 C ATOM 498 CD GLU A 30 53.726 54.148 -39.850 1.00 0.00 C ATOM 499 OE1 GLU A 30 54.014 54.956 -40.719 1.00 0.00 O ATOM 500 OE2 GLU A 30 54.443 53.885 -38.900 1.00 0.00 O ATOM 0 H GLU A 30 48.156 54.899 -40.076 1.00 0.00 H new ATOM 0 HA GLU A 30 50.210 53.358 -38.849 1.00 0.00 H new ATOM 0 HB2 GLU A 30 50.999 54.239 -41.407 1.00 0.00 H new ATOM 0 HB3 GLU A 30 51.682 55.433 -40.322 1.00 0.00 H new ATOM 0 HG2 GLU A 30 52.129 52.958 -39.008 1.00 0.00 H new ATOM 0 HG3 GLU A 30 52.455 52.617 -40.696 1.00 0.00 H new ATOM 507 N GLU A 31 50.866 55.590 -37.560 1.00 0.00 N ATOM 508 CA GLU A 31 50.813 56.761 -36.638 1.00 0.00 C ATOM 509 C GLU A 31 52.162 57.483 -36.646 1.00 0.00 C ATOM 510 O GLU A 31 53.053 57.144 -37.400 1.00 0.00 O ATOM 511 CB GLU A 31 50.500 56.279 -35.219 1.00 0.00 C ATOM 512 CG GLU A 31 49.051 56.624 -34.870 1.00 0.00 C ATOM 513 CD GLU A 31 48.296 55.346 -34.502 1.00 0.00 C ATOM 514 OE1 GLU A 31 48.007 54.573 -35.401 1.00 0.00 O ATOM 515 OE2 GLU A 31 48.019 55.162 -33.328 1.00 0.00 O ATOM 0 H GLU A 31 51.612 54.920 -37.371 1.00 0.00 H new ATOM 0 HA GLU A 31 50.034 57.448 -36.970 1.00 0.00 H new ATOM 0 HB2 GLU A 31 50.656 55.203 -35.147 1.00 0.00 H new ATOM 0 HB3 GLU A 31 51.178 56.748 -34.506 1.00 0.00 H new ATOM 0 HG2 GLU A 31 49.024 57.327 -34.038 1.00 0.00 H new ATOM 0 HG3 GLU A 31 48.569 57.113 -35.716 1.00 0.00 H new ATOM 522 N SER A 32 52.319 58.477 -35.814 1.00 0.00 N ATOM 523 CA SER A 32 53.612 59.219 -35.775 1.00 0.00 C ATOM 524 C SER A 32 53.728 59.979 -34.450 1.00 0.00 C ATOM 525 O SER A 32 52.964 59.763 -33.529 1.00 0.00 O ATOM 526 CB SER A 32 53.664 60.211 -36.936 1.00 0.00 C ATOM 527 OG SER A 32 52.341 60.592 -37.289 1.00 0.00 O ATOM 0 H SER A 32 51.609 58.807 -35.160 1.00 0.00 H new ATOM 0 HA SER A 32 54.438 58.513 -35.861 1.00 0.00 H new ATOM 0 HB2 SER A 32 54.244 61.089 -36.653 1.00 0.00 H new ATOM 0 HB3 SER A 32 54.165 59.760 -37.792 1.00 0.00 H new ATOM 0 HG SER A 32 52.372 61.230 -38.032 1.00 0.00 H new ATOM 533 N ASN A 33 54.680 60.866 -34.347 1.00 0.00 N ATOM 534 CA ASN A 33 54.850 61.639 -33.083 1.00 0.00 C ATOM 535 C ASN A 33 54.017 62.922 -33.147 1.00 0.00 C ATOM 536 O ASN A 33 53.706 63.523 -32.138 1.00 0.00 O ATOM 537 CB ASN A 33 56.325 61.999 -32.901 1.00 0.00 C ATOM 538 CG ASN A 33 56.942 61.100 -31.828 1.00 0.00 C ATOM 539 OD1 ASN A 33 56.780 59.897 -31.859 1.00 0.00 O ATOM 540 ND2 ASN A 33 57.650 61.638 -30.872 1.00 0.00 N ATOM 0 H ASN A 33 55.348 61.089 -35.084 1.00 0.00 H new ATOM 0 HA ASN A 33 54.515 61.033 -32.241 1.00 0.00 H new ATOM 0 HB2 ASN A 33 56.859 61.877 -33.843 1.00 0.00 H new ATOM 0 HB3 ASN A 33 56.422 63.046 -32.613 1.00 0.00 H new ATOM 0 HD21 ASN A 33 58.067 61.048 -30.152 1.00 0.00 H new ATOM 0 HD22 ASN A 33 57.787 62.648 -30.845 1.00 0.00 H new ATOM 547 N LEU A 34 53.653 63.347 -34.326 1.00 0.00 N ATOM 548 CA LEU A 34 52.840 64.593 -34.454 1.00 0.00 C ATOM 549 C LEU A 34 51.378 64.269 -34.123 1.00 0.00 C ATOM 550 O LEU A 34 51.058 63.142 -33.803 1.00 0.00 O ATOM 551 CB LEU A 34 52.947 65.140 -35.886 1.00 0.00 C ATOM 552 CG LEU A 34 54.250 64.665 -36.537 1.00 0.00 C ATOM 553 CD1 LEU A 34 53.957 63.482 -37.460 1.00 0.00 C ATOM 554 CD2 LEU A 34 54.855 65.809 -37.355 1.00 0.00 C ATOM 0 H LEU A 34 53.883 62.887 -35.207 1.00 0.00 H new ATOM 0 HA LEU A 34 53.212 65.349 -33.763 1.00 0.00 H new ATOM 0 HB2 LEU A 34 52.094 64.805 -36.476 1.00 0.00 H new ATOM 0 HB3 LEU A 34 52.916 66.229 -35.870 1.00 0.00 H new ATOM 0 HG LEU A 34 54.953 64.357 -35.763 1.00 0.00 H new ATOM 0 HD11 LEU A 34 54.884 63.144 -37.923 1.00 0.00 H new ATOM 0 HD12 LEU A 34 53.523 62.667 -36.881 1.00 0.00 H new ATOM 0 HD13 LEU A 34 53.255 63.790 -38.235 1.00 0.00 H new ATOM 0 HD21 LEU A 34 55.782 65.474 -37.819 1.00 0.00 H new ATOM 0 HD22 LEU A 34 54.151 66.114 -38.129 1.00 0.00 H new ATOM 0 HD23 LEU A 34 55.063 66.655 -36.700 1.00 0.00 H new ATOM 566 N PRO A 35 50.531 65.267 -34.198 1.00 0.00 N ATOM 567 CA PRO A 35 49.097 65.109 -33.899 1.00 0.00 C ATOM 568 C PRO A 35 48.371 64.467 -35.083 1.00 0.00 C ATOM 569 O PRO A 35 47.282 63.946 -34.948 1.00 0.00 O ATOM 570 CB PRO A 35 48.619 66.544 -33.666 1.00 0.00 C ATOM 571 CG PRO A 35 49.634 67.467 -34.382 1.00 0.00 C ATOM 572 CD PRO A 35 50.917 66.638 -34.590 1.00 0.00 C ATOM 0 HA PRO A 35 48.904 64.461 -33.044 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.615 66.688 -34.065 1.00 0.00 H new ATOM 0 HB3 PRO A 35 48.574 66.770 -32.601 1.00 0.00 H new ATOM 0 HG2 PRO A 35 49.237 67.812 -35.337 1.00 0.00 H new ATOM 0 HG3 PRO A 35 49.839 68.354 -33.783 1.00 0.00 H new ATOM 0 HD2 PRO A 35 51.252 66.676 -35.627 1.00 0.00 H new ATOM 0 HD3 PRO A 35 51.736 67.012 -33.976 1.00 0.00 H new ATOM 579 N TRP A 36 48.971 64.490 -36.242 1.00 0.00 N ATOM 580 CA TRP A 36 48.320 63.867 -37.429 1.00 0.00 C ATOM 581 C TRP A 36 48.954 62.499 -37.678 1.00 0.00 C ATOM 582 O TRP A 36 50.024 62.207 -37.184 1.00 0.00 O ATOM 583 CB TRP A 36 48.516 64.756 -38.662 1.00 0.00 C ATOM 584 CG TRP A 36 49.827 65.469 -38.573 1.00 0.00 C ATOM 585 CD1 TRP A 36 51.034 64.910 -38.820 1.00 0.00 C ATOM 586 CD2 TRP A 36 50.084 66.858 -38.216 1.00 0.00 C ATOM 587 NE1 TRP A 36 52.016 65.868 -38.638 1.00 0.00 N ATOM 588 CE2 TRP A 36 51.481 67.085 -38.265 1.00 0.00 C ATOM 589 CE3 TRP A 36 49.250 67.933 -37.859 1.00 0.00 C ATOM 590 CZ2 TRP A 36 52.029 68.333 -37.971 1.00 0.00 C ATOM 591 CZ3 TRP A 36 49.799 69.190 -37.561 1.00 0.00 C ATOM 592 CH2 TRP A 36 51.186 69.390 -37.617 1.00 0.00 C ATOM 0 H TRP A 36 49.882 64.913 -36.418 1.00 0.00 H new ATOM 0 HA TRP A 36 47.252 63.755 -37.243 1.00 0.00 H new ATOM 0 HB2 TRP A 36 48.483 64.150 -39.567 1.00 0.00 H new ATOM 0 HB3 TRP A 36 47.703 65.479 -38.733 1.00 0.00 H new ATOM 0 HD1 TRP A 36 51.203 63.884 -39.112 1.00 0.00 H new ATOM 0 HE1 TRP A 36 53.013 65.696 -38.764 1.00 0.00 H new ATOM 0 HE3 TRP A 36 48.180 67.790 -37.814 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 53.098 68.482 -38.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 49.149 70.008 -37.287 1.00 0.00 H new ATOM 0 HH2 TRP A 36 51.602 70.360 -37.387 1.00 0.00 H new ATOM 603 N TRP A 37 48.311 61.652 -38.436 1.00 0.00 N ATOM 604 CA TRP A 37 48.902 60.310 -38.695 1.00 0.00 C ATOM 605 C TRP A 37 48.994 60.079 -40.199 1.00 0.00 C ATOM 606 O TRP A 37 49.000 61.004 -40.979 1.00 0.00 O ATOM 607 CB TRP A 37 48.022 59.229 -38.065 1.00 0.00 C ATOM 608 CG TRP A 37 47.533 59.696 -36.731 1.00 0.00 C ATOM 609 CD1 TRP A 37 46.234 59.779 -36.364 1.00 0.00 C ATOM 610 CD2 TRP A 37 48.312 60.145 -35.585 1.00 0.00 C ATOM 611 NE1 TRP A 37 46.166 60.250 -35.065 1.00 0.00 N ATOM 612 CE2 TRP A 37 47.420 60.490 -34.542 1.00 0.00 C ATOM 613 CE3 TRP A 37 49.691 60.284 -35.350 1.00 0.00 C ATOM 614 CZ2 TRP A 37 47.880 60.957 -33.309 1.00 0.00 C ATOM 615 CZ3 TRP A 37 50.159 60.754 -34.111 1.00 0.00 C ATOM 616 CH2 TRP A 37 49.254 61.089 -33.094 1.00 0.00 C ATOM 0 H TRP A 37 47.411 61.829 -38.883 1.00 0.00 H new ATOM 0 HA TRP A 37 49.899 60.263 -38.257 1.00 0.00 H new ATOM 0 HB2 TRP A 37 47.177 59.008 -38.717 1.00 0.00 H new ATOM 0 HB3 TRP A 37 48.588 58.304 -37.953 1.00 0.00 H new ATOM 0 HD1 TRP A 37 45.388 59.520 -36.984 1.00 0.00 H new ATOM 0 HE1 TRP A 37 45.295 60.401 -34.556 1.00 0.00 H new ATOM 0 HE3 TRP A 37 50.396 60.028 -36.127 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 47.179 61.214 -32.528 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 51.221 60.858 -33.942 1.00 0.00 H new ATOM 0 HH2 TRP A 37 49.619 61.449 -32.144 1.00 0.00 H new ATOM 627 N ARG A 38 49.052 58.848 -40.608 1.00 0.00 N ATOM 628 CA ARG A 38 49.128 58.540 -42.062 1.00 0.00 C ATOM 629 C ARG A 38 47.915 57.690 -42.412 1.00 0.00 C ATOM 630 O ARG A 38 47.991 56.480 -42.498 1.00 0.00 O ATOM 631 CB ARG A 38 50.413 57.764 -42.363 1.00 0.00 C ATOM 632 CG ARG A 38 51.378 58.660 -43.142 1.00 0.00 C ATOM 633 CD ARG A 38 52.288 57.793 -44.016 1.00 0.00 C ATOM 634 NE ARG A 38 51.463 57.062 -45.018 1.00 0.00 N ATOM 635 CZ ARG A 38 51.690 57.223 -46.292 1.00 0.00 C ATOM 636 NH1 ARG A 38 50.817 57.846 -47.036 1.00 0.00 N ATOM 637 NH2 ARG A 38 52.790 56.762 -46.823 1.00 0.00 N ATOM 0 H ARG A 38 49.050 58.033 -39.994 1.00 0.00 H new ATOM 0 HA ARG A 38 49.137 59.458 -42.650 1.00 0.00 H new ATOM 0 HB2 ARG A 38 50.877 57.433 -41.434 1.00 0.00 H new ATOM 0 HB3 ARG A 38 50.183 56.869 -42.941 1.00 0.00 H new ATOM 0 HG2 ARG A 38 50.820 59.360 -43.763 1.00 0.00 H new ATOM 0 HG3 ARG A 38 51.977 59.254 -42.452 1.00 0.00 H new ATOM 0 HD2 ARG A 38 53.026 58.416 -44.521 1.00 0.00 H new ATOM 0 HD3 ARG A 38 52.839 57.085 -43.396 1.00 0.00 H new ATOM 0 HE ARG A 38 50.720 56.435 -44.708 1.00 0.00 H new ATOM 0 HH11 ARG A 38 49.958 58.207 -46.621 1.00 0.00 H new ATOM 0 HH12 ARG A 38 50.994 57.972 -48.033 1.00 0.00 H new ATOM 0 HH21 ARG A 38 53.472 56.276 -46.241 1.00 0.00 H new ATOM 0 HH22 ARG A 38 52.967 56.888 -47.820 1.00 0.00 H new ATOM 651 N ALA A 39 46.787 58.313 -42.574 1.00 0.00 N ATOM 652 CA ALA A 39 45.551 57.546 -42.870 1.00 0.00 C ATOM 653 C ALA A 39 45.065 57.833 -44.287 1.00 0.00 C ATOM 654 O ALA A 39 45.548 58.719 -44.960 1.00 0.00 O ATOM 655 CB ALA A 39 44.465 57.976 -41.881 1.00 0.00 C ATOM 0 H ALA A 39 46.667 59.324 -42.514 1.00 0.00 H new ATOM 0 HA ALA A 39 45.762 56.481 -42.780 1.00 0.00 H new ATOM 0 HB1 ALA A 39 43.548 57.422 -42.084 1.00 0.00 H new ATOM 0 HB2 ALA A 39 44.797 57.769 -40.864 1.00 0.00 H new ATOM 0 HB3 ALA A 39 44.275 59.044 -41.990 1.00 0.00 H new ATOM 661 N ARG A 40 44.083 57.096 -44.725 1.00 0.00 N ATOM 662 CA ARG A 40 43.513 57.319 -46.078 1.00 0.00 C ATOM 663 C ARG A 40 42.060 57.751 -45.893 1.00 0.00 C ATOM 664 O ARG A 40 41.204 56.953 -45.567 1.00 0.00 O ATOM 665 CB ARG A 40 43.570 56.020 -46.886 1.00 0.00 C ATOM 666 CG ARG A 40 42.827 56.207 -48.210 1.00 0.00 C ATOM 667 CD ARG A 40 42.319 54.853 -48.706 1.00 0.00 C ATOM 668 NE ARG A 40 41.133 54.442 -47.901 1.00 0.00 N ATOM 669 CZ ARG A 40 41.272 53.598 -46.917 1.00 0.00 C ATOM 670 NH1 ARG A 40 41.219 54.019 -45.683 1.00 0.00 N ATOM 671 NH2 ARG A 40 41.467 52.331 -47.166 1.00 0.00 N ATOM 0 H ARG A 40 43.648 56.341 -44.195 1.00 0.00 H new ATOM 0 HA ARG A 40 44.078 58.081 -46.615 1.00 0.00 H new ATOM 0 HB2 ARG A 40 44.607 55.743 -47.075 1.00 0.00 H new ATOM 0 HB3 ARG A 40 43.121 55.206 -46.317 1.00 0.00 H new ATOM 0 HG2 ARG A 40 41.991 56.894 -48.076 1.00 0.00 H new ATOM 0 HG3 ARG A 40 43.490 56.652 -48.952 1.00 0.00 H new ATOM 0 HD2 ARG A 40 42.052 54.917 -49.761 1.00 0.00 H new ATOM 0 HD3 ARG A 40 43.106 54.104 -48.622 1.00 0.00 H new ATOM 0 HE ARG A 40 40.212 54.822 -48.120 1.00 0.00 H new ATOM 0 HH11 ARG A 40 41.069 55.009 -45.488 1.00 0.00 H new ATOM 0 HH12 ARG A 40 41.328 53.358 -44.914 1.00 0.00 H new ATOM 0 HH21 ARG A 40 41.511 52.002 -48.130 1.00 0.00 H new ATOM 0 HH22 ARG A 40 41.576 51.671 -46.396 1.00 0.00 H new ATOM 685 N ASP A 41 41.777 59.011 -46.064 1.00 0.00 N ATOM 686 CA ASP A 41 40.380 59.484 -45.858 1.00 0.00 C ATOM 687 C ASP A 41 39.428 58.711 -46.773 1.00 0.00 C ATOM 688 O ASP A 41 39.841 57.879 -47.556 1.00 0.00 O ATOM 689 CB ASP A 41 40.288 60.980 -46.159 1.00 0.00 C ATOM 690 CG ASP A 41 40.833 61.256 -47.562 1.00 0.00 C ATOM 691 OD1 ASP A 41 41.370 60.337 -48.158 1.00 0.00 O ATOM 692 OD2 ASP A 41 40.703 62.381 -48.015 1.00 0.00 O ATOM 0 H ASP A 41 42.447 59.730 -46.336 1.00 0.00 H new ATOM 0 HA ASP A 41 40.096 59.311 -44.820 1.00 0.00 H new ATOM 0 HB2 ASP A 41 39.252 61.312 -46.088 1.00 0.00 H new ATOM 0 HB3 ASP A 41 40.855 61.545 -45.420 1.00 0.00 H new ATOM 697 N LYS A 42 38.154 58.975 -46.674 1.00 0.00 N ATOM 698 CA LYS A 42 37.170 58.252 -47.532 1.00 0.00 C ATOM 699 C LYS A 42 37.320 58.701 -48.986 1.00 0.00 C ATOM 700 O LYS A 42 36.679 58.175 -49.874 1.00 0.00 O ATOM 701 CB LYS A 42 35.752 58.560 -47.052 1.00 0.00 C ATOM 702 CG LYS A 42 35.348 57.556 -45.970 1.00 0.00 C ATOM 703 CD LYS A 42 35.028 56.208 -46.620 1.00 0.00 C ATOM 704 CE LYS A 42 33.511 56.028 -46.701 1.00 0.00 C ATOM 705 NZ LYS A 42 33.029 56.469 -48.041 1.00 0.00 N ATOM 0 H LYS A 42 37.751 59.661 -46.036 1.00 0.00 H new ATOM 0 HA LYS A 42 37.356 57.180 -47.464 1.00 0.00 H new ATOM 0 HB2 LYS A 42 35.703 59.575 -46.657 1.00 0.00 H new ATOM 0 HB3 LYS A 42 35.055 58.509 -47.888 1.00 0.00 H new ATOM 0 HG2 LYS A 42 36.155 57.441 -45.246 1.00 0.00 H new ATOM 0 HG3 LYS A 42 34.480 57.924 -45.423 1.00 0.00 H new ATOM 0 HD2 LYS A 42 35.464 56.161 -47.618 1.00 0.00 H new ATOM 0 HD3 LYS A 42 35.471 55.398 -46.040 1.00 0.00 H new ATOM 0 HE2 LYS A 42 33.249 54.983 -46.534 1.00 0.00 H new ATOM 0 HE3 LYS A 42 33.023 56.608 -45.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 32.775 57.477 -48.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 33.782 56.328 -48.745 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 32.194 55.911 -48.311 1.00 0.00 H new ATOM 719 N ASN A 43 38.163 59.663 -49.241 1.00 0.00 N ATOM 720 CA ASN A 43 38.349 60.131 -50.641 1.00 0.00 C ATOM 721 C ASN A 43 39.296 59.177 -51.371 1.00 0.00 C ATOM 722 O ASN A 43 39.705 59.427 -52.487 1.00 0.00 O ATOM 723 CB ASN A 43 38.946 61.540 -50.634 1.00 0.00 C ATOM 724 CG ASN A 43 38.446 62.311 -51.858 1.00 0.00 C ATOM 725 OD1 ASN A 43 37.768 61.760 -52.701 1.00 0.00 O ATOM 726 ND2 ASN A 43 38.753 63.572 -51.989 1.00 0.00 N ATOM 0 H ASN A 43 38.729 60.144 -48.542 1.00 0.00 H new ATOM 0 HA ASN A 43 37.386 60.150 -51.151 1.00 0.00 H new ATOM 0 HB2 ASN A 43 38.662 62.063 -49.721 1.00 0.00 H new ATOM 0 HB3 ASN A 43 40.035 61.486 -50.645 1.00 0.00 H new ATOM 0 HD21 ASN A 43 38.423 64.096 -52.800 1.00 0.00 H new ATOM 0 HD22 ASN A 43 39.323 64.034 -51.280 1.00 0.00 H new ATOM 733 N GLY A 44 39.652 58.085 -50.748 1.00 0.00 N ATOM 734 CA GLY A 44 40.574 57.120 -51.404 1.00 0.00 C ATOM 735 C GLY A 44 41.942 57.773 -51.577 1.00 0.00 C ATOM 736 O GLY A 44 42.568 57.657 -52.612 1.00 0.00 O ATOM 0 H GLY A 44 39.342 57.822 -49.812 1.00 0.00 H new ATOM 0 HA2 GLY A 44 40.663 56.216 -50.801 1.00 0.00 H new ATOM 0 HA3 GLY A 44 40.176 56.819 -52.373 1.00 0.00 H new ATOM 740 N GLN A 45 42.414 58.461 -50.573 1.00 0.00 N ATOM 741 CA GLN A 45 43.736 59.118 -50.687 1.00 0.00 C ATOM 742 C GLN A 45 44.474 58.973 -49.361 1.00 0.00 C ATOM 743 O GLN A 45 43.950 59.299 -48.311 1.00 0.00 O ATOM 744 CB GLN A 45 43.538 60.602 -51.004 1.00 0.00 C ATOM 745 CG GLN A 45 44.829 61.177 -51.592 1.00 0.00 C ATOM 746 CD GLN A 45 44.607 62.642 -51.973 1.00 0.00 C ATOM 747 OE1 GLN A 45 43.524 63.167 -51.807 1.00 0.00 O ATOM 748 NE2 GLN A 45 45.594 63.328 -52.482 1.00 0.00 N ATOM 0 H GLN A 45 41.937 58.593 -49.681 1.00 0.00 H new ATOM 0 HA GLN A 45 44.316 58.654 -51.484 1.00 0.00 H new ATOM 0 HB2 GLN A 45 42.717 60.727 -51.710 1.00 0.00 H new ATOM 0 HB3 GLN A 45 43.265 61.145 -50.099 1.00 0.00 H new ATOM 0 HG2 GLN A 45 45.639 61.097 -50.867 1.00 0.00 H new ATOM 0 HG3 GLN A 45 45.129 60.603 -52.469 1.00 0.00 H new ATOM 0 HE21 GLN A 45 46.503 62.887 -52.621 1.00 0.00 H new ATOM 0 HE22 GLN A 45 45.456 64.305 -52.740 1.00 0.00 H new ATOM 757 N GLU A 46 45.685 58.491 -49.401 1.00 0.00 N ATOM 758 CA GLU A 46 46.468 58.335 -48.147 1.00 0.00 C ATOM 759 C GLU A 46 47.207 59.643 -47.884 1.00 0.00 C ATOM 760 O GLU A 46 47.785 60.225 -48.780 1.00 0.00 O ATOM 761 CB GLU A 46 47.473 57.193 -48.311 1.00 0.00 C ATOM 762 CG GLU A 46 46.822 56.053 -49.096 1.00 0.00 C ATOM 763 CD GLU A 46 47.846 54.939 -49.323 1.00 0.00 C ATOM 764 OE1 GLU A 46 49.015 55.255 -49.461 1.00 0.00 O ATOM 765 OE2 GLU A 46 47.442 53.789 -49.356 1.00 0.00 O ATOM 0 H GLU A 46 46.166 58.198 -50.251 1.00 0.00 H new ATOM 0 HA GLU A 46 45.808 58.103 -47.311 1.00 0.00 H new ATOM 0 HB2 GLU A 46 48.362 57.548 -48.833 1.00 0.00 H new ATOM 0 HB3 GLU A 46 47.798 56.837 -47.334 1.00 0.00 H new ATOM 0 HG2 GLU A 46 45.962 55.665 -48.549 1.00 0.00 H new ATOM 0 HG3 GLU A 46 46.452 56.421 -50.053 1.00 0.00 H new ATOM 772 N GLY A 47 47.179 60.129 -46.678 1.00 0.00 N ATOM 773 CA GLY A 47 47.868 61.416 -46.401 1.00 0.00 C ATOM 774 C GLY A 47 48.010 61.637 -44.897 1.00 0.00 C ATOM 775 O GLY A 47 47.877 60.727 -44.101 1.00 0.00 O ATOM 0 H GLY A 47 46.714 59.697 -45.880 1.00 0.00 H new ATOM 0 HA2 GLY A 47 48.853 61.415 -46.868 1.00 0.00 H new ATOM 0 HA3 GLY A 47 47.306 62.238 -46.843 1.00 0.00 H new ATOM 779 N TYR A 48 48.283 62.853 -44.510 1.00 0.00 N ATOM 780 CA TYR A 48 48.445 63.161 -43.064 1.00 0.00 C ATOM 781 C TYR A 48 47.124 63.677 -42.488 1.00 0.00 C ATOM 782 O TYR A 48 46.680 64.767 -42.789 1.00 0.00 O ATOM 783 CB TYR A 48 49.531 64.225 -42.888 1.00 0.00 C ATOM 784 CG TYR A 48 50.890 63.572 -42.958 1.00 0.00 C ATOM 785 CD1 TYR A 48 51.246 62.815 -44.080 1.00 0.00 C ATOM 786 CD2 TYR A 48 51.794 63.722 -41.900 1.00 0.00 C ATOM 787 CE1 TYR A 48 52.506 62.208 -44.145 1.00 0.00 C ATOM 788 CE2 TYR A 48 53.055 63.115 -41.964 1.00 0.00 C ATOM 789 CZ TYR A 48 53.411 62.357 -43.087 1.00 0.00 C ATOM 790 OH TYR A 48 54.652 61.759 -43.151 1.00 0.00 O ATOM 0 H TYR A 48 48.401 63.649 -45.137 1.00 0.00 H new ATOM 0 HA TYR A 48 48.734 62.253 -42.535 1.00 0.00 H new ATOM 0 HB2 TYR A 48 49.440 64.985 -43.664 1.00 0.00 H new ATOM 0 HB3 TYR A 48 49.408 64.731 -41.931 1.00 0.00 H new ATOM 0 HD1 TYR A 48 50.548 62.699 -44.896 1.00 0.00 H new ATOM 0 HD2 TYR A 48 51.519 64.306 -41.034 1.00 0.00 H new ATOM 0 HE1 TYR A 48 52.780 61.625 -45.012 1.00 0.00 H new ATOM 0 HE2 TYR A 48 53.753 63.231 -41.148 1.00 0.00 H new ATOM 0 HH TYR A 48 55.156 61.963 -42.336 1.00 0.00 H new ATOM 800 N ILE A 49 46.495 62.901 -41.654 1.00 0.00 N ATOM 801 CA ILE A 49 45.208 63.337 -41.049 1.00 0.00 C ATOM 802 C ILE A 49 45.469 63.793 -39.607 1.00 0.00 C ATOM 803 O ILE A 49 46.103 63.085 -38.848 1.00 0.00 O ATOM 804 CB ILE A 49 44.243 62.159 -41.063 1.00 0.00 C ATOM 805 CG1 ILE A 49 43.869 61.821 -42.506 1.00 0.00 C ATOM 806 CG2 ILE A 49 42.979 62.490 -40.268 1.00 0.00 C ATOM 807 CD1 ILE A 49 45.094 61.238 -43.212 1.00 0.00 C ATOM 0 H ILE A 49 46.818 61.978 -41.363 1.00 0.00 H new ATOM 0 HA ILE A 49 44.776 64.164 -41.612 1.00 0.00 H new ATOM 0 HB ILE A 49 44.731 61.301 -40.600 1.00 0.00 H new ATOM 0 HG12 ILE A 49 43.047 61.105 -42.525 1.00 0.00 H new ATOM 0 HG13 ILE A 49 43.525 62.715 -43.025 1.00 0.00 H new ATOM 0 HG21 ILE A 49 42.302 61.636 -40.290 1.00 0.00 H new ATOM 0 HG22 ILE A 49 43.247 62.715 -39.236 1.00 0.00 H new ATOM 0 HG23 ILE A 49 42.486 63.355 -40.712 1.00 0.00 H new ATOM 0 HD11 ILE A 49 44.838 60.993 -44.243 1.00 0.00 H new ATOM 0 HD12 ILE A 49 45.902 61.970 -43.203 1.00 0.00 H new ATOM 0 HD13 ILE A 49 45.417 60.335 -42.694 1.00 0.00 H new ATOM 819 N PRO A 50 44.994 64.967 -39.271 1.00 0.00 N ATOM 820 CA PRO A 50 45.188 65.547 -37.926 1.00 0.00 C ATOM 821 C PRO A 50 44.263 64.890 -36.898 1.00 0.00 C ATOM 822 O PRO A 50 43.252 64.310 -37.237 1.00 0.00 O ATOM 823 CB PRO A 50 44.835 67.025 -38.117 1.00 0.00 C ATOM 824 CG PRO A 50 43.937 67.100 -39.375 1.00 0.00 C ATOM 825 CD PRO A 50 44.217 65.822 -40.191 1.00 0.00 C ATOM 0 HA PRO A 50 46.198 65.397 -37.546 1.00 0.00 H new ATOM 0 HB2 PRO A 50 44.313 67.416 -37.243 1.00 0.00 H new ATOM 0 HB3 PRO A 50 45.735 67.626 -38.246 1.00 0.00 H new ATOM 0 HG2 PRO A 50 42.885 67.160 -39.097 1.00 0.00 H new ATOM 0 HG3 PRO A 50 44.163 67.991 -39.960 1.00 0.00 H new ATOM 0 HD2 PRO A 50 43.291 65.336 -40.500 1.00 0.00 H new ATOM 0 HD3 PRO A 50 44.779 66.044 -41.098 1.00 0.00 H new ATOM 832 N SER A 51 44.611 64.979 -35.641 1.00 0.00 N ATOM 833 CA SER A 51 43.765 64.365 -34.581 1.00 0.00 C ATOM 834 C SER A 51 43.024 65.462 -33.814 1.00 0.00 C ATOM 835 O SER A 51 41.922 65.267 -33.339 1.00 0.00 O ATOM 836 CB SER A 51 44.652 63.583 -33.613 1.00 0.00 C ATOM 837 OG SER A 51 45.075 62.375 -34.234 1.00 0.00 O ATOM 0 H SER A 51 45.449 65.453 -35.304 1.00 0.00 H new ATOM 0 HA SER A 51 43.041 63.692 -35.041 1.00 0.00 H new ATOM 0 HB2 SER A 51 45.517 64.182 -33.330 1.00 0.00 H new ATOM 0 HB3 SER A 51 44.104 63.362 -32.697 1.00 0.00 H new ATOM 0 HG SER A 51 45.951 62.114 -33.880 1.00 0.00 H new ATOM 843 N ASN A 52 43.622 66.616 -33.682 1.00 0.00 N ATOM 844 CA ASN A 52 42.956 67.724 -32.939 1.00 0.00 C ATOM 845 C ASN A 52 41.784 68.269 -33.759 1.00 0.00 C ATOM 846 O ASN A 52 40.988 69.051 -33.278 1.00 0.00 O ATOM 847 CB ASN A 52 43.966 68.846 -32.687 1.00 0.00 C ATOM 848 CG ASN A 52 44.653 69.220 -34.001 1.00 0.00 C ATOM 849 OD1 ASN A 52 44.317 68.699 -35.046 1.00 0.00 O ATOM 850 ND2 ASN A 52 45.608 70.109 -33.995 1.00 0.00 N ATOM 0 H ASN A 52 44.544 66.839 -34.057 1.00 0.00 H new ATOM 0 HA ASN A 52 42.583 67.345 -31.987 1.00 0.00 H new ATOM 0 HB2 ASN A 52 43.461 69.716 -32.268 1.00 0.00 H new ATOM 0 HB3 ASN A 52 44.707 68.525 -31.956 1.00 0.00 H new ATOM 0 HD21 ASN A 52 46.071 70.366 -34.867 1.00 0.00 H new ATOM 0 HD22 ASN A 52 45.891 70.547 -33.119 1.00 0.00 H new ATOM 857 N TYR A 53 41.670 67.864 -34.994 1.00 0.00 N ATOM 858 CA TYR A 53 40.548 68.360 -35.841 1.00 0.00 C ATOM 859 C TYR A 53 39.759 67.168 -36.382 1.00 0.00 C ATOM 860 O TYR A 53 39.229 67.206 -37.474 1.00 0.00 O ATOM 861 CB TYR A 53 41.111 69.172 -37.009 1.00 0.00 C ATOM 862 CG TYR A 53 40.974 70.646 -36.713 1.00 0.00 C ATOM 863 CD1 TYR A 53 41.452 71.164 -35.504 1.00 0.00 C ATOM 864 CD2 TYR A 53 40.369 71.495 -37.648 1.00 0.00 C ATOM 865 CE1 TYR A 53 41.326 72.532 -35.229 1.00 0.00 C ATOM 866 CE2 TYR A 53 40.242 72.861 -37.374 1.00 0.00 C ATOM 867 CZ TYR A 53 40.721 73.380 -36.164 1.00 0.00 C ATOM 868 OH TYR A 53 40.595 74.728 -35.894 1.00 0.00 O ATOM 0 H TYR A 53 42.305 67.211 -35.453 1.00 0.00 H new ATOM 0 HA TYR A 53 39.891 68.992 -35.244 1.00 0.00 H new ATOM 0 HB2 TYR A 53 42.159 68.919 -37.169 1.00 0.00 H new ATOM 0 HB3 TYR A 53 40.579 68.924 -37.927 1.00 0.00 H new ATOM 0 HD1 TYR A 53 41.918 70.509 -34.783 1.00 0.00 H new ATOM 0 HD2 TYR A 53 40.000 71.095 -38.581 1.00 0.00 H new ATOM 0 HE1 TYR A 53 41.695 72.932 -34.296 1.00 0.00 H new ATOM 0 HE2 TYR A 53 39.775 73.515 -38.095 1.00 0.00 H new ATOM 0 HH TYR A 53 40.154 75.173 -36.648 1.00 0.00 H new ATOM 878 N VAL A 54 39.684 66.107 -35.626 1.00 0.00 N ATOM 879 CA VAL A 54 38.942 64.898 -36.087 1.00 0.00 C ATOM 880 C VAL A 54 38.369 64.159 -34.887 1.00 0.00 C ATOM 881 O VAL A 54 37.937 64.756 -33.920 1.00 0.00 O ATOM 882 CB VAL A 54 39.902 63.986 -36.840 1.00 0.00 C ATOM 883 CG1 VAL A 54 40.614 64.782 -37.927 1.00 0.00 C ATOM 884 CG2 VAL A 54 40.913 63.425 -35.848 1.00 0.00 C ATOM 0 H VAL A 54 40.108 66.025 -34.702 1.00 0.00 H new ATOM 0 HA VAL A 54 38.125 65.196 -36.744 1.00 0.00 H new ATOM 0 HB VAL A 54 39.357 63.167 -37.310 1.00 0.00 H new ATOM 0 HG11 VAL A 54 41.301 64.129 -38.465 1.00 0.00 H new ATOM 0 HG12 VAL A 54 39.879 65.187 -38.622 1.00 0.00 H new ATOM 0 HG13 VAL A 54 41.173 65.600 -37.472 1.00 0.00 H new ATOM 0 HG21 VAL A 54 41.609 62.769 -36.370 1.00 0.00 H new ATOM 0 HG22 VAL A 54 41.463 64.245 -35.387 1.00 0.00 H new ATOM 0 HG23 VAL A 54 40.390 62.859 -35.077 1.00 0.00 H new ATOM 894 N THR A 55 38.333 62.866 -34.958 1.00 0.00 N ATOM 895 CA THR A 55 37.761 62.079 -33.850 1.00 0.00 C ATOM 896 C THR A 55 38.155 60.610 -34.060 1.00 0.00 C ATOM 897 O THR A 55 38.865 60.298 -34.986 1.00 0.00 O ATOM 898 CB THR A 55 36.242 62.308 -33.874 1.00 0.00 C ATOM 899 OG1 THR A 55 35.932 63.413 -33.038 1.00 0.00 O ATOM 900 CG2 THR A 55 35.459 61.085 -33.390 1.00 0.00 C ATOM 0 H THR A 55 38.679 62.317 -35.745 1.00 0.00 H new ATOM 0 HA THR A 55 38.134 62.376 -32.870 1.00 0.00 H new ATOM 0 HB THR A 55 35.952 62.499 -34.907 1.00 0.00 H new ATOM 0 HG1 THR A 55 36.351 64.223 -33.397 1.00 0.00 H new ATOM 0 HG21 THR A 55 34.391 61.299 -33.426 1.00 0.00 H new ATOM 0 HG22 THR A 55 35.681 60.233 -34.033 1.00 0.00 H new ATOM 0 HG23 THR A 55 35.747 60.851 -32.365 1.00 0.00 H new ATOM 908 N GLU A 56 37.734 59.717 -33.210 1.00 0.00 N ATOM 909 CA GLU A 56 38.116 58.283 -33.361 1.00 0.00 C ATOM 910 C GLU A 56 39.639 58.139 -33.242 1.00 0.00 C ATOM 911 O GLU A 56 40.216 58.520 -32.245 1.00 0.00 O ATOM 912 CB GLU A 56 37.619 57.743 -34.698 1.00 0.00 C ATOM 913 CG GLU A 56 36.094 57.615 -34.665 1.00 0.00 C ATOM 914 CD GLU A 56 35.711 56.210 -34.197 1.00 0.00 C ATOM 915 OE1 GLU A 56 35.975 55.896 -33.049 1.00 0.00 O ATOM 916 OE2 GLU A 56 35.157 55.472 -34.996 1.00 0.00 O ATOM 0 H GLU A 56 37.136 59.920 -32.409 1.00 0.00 H new ATOM 0 HA GLU A 56 37.649 57.699 -32.568 1.00 0.00 H new ATOM 0 HB2 GLU A 56 37.921 58.410 -35.506 1.00 0.00 H new ATOM 0 HB3 GLU A 56 38.071 56.772 -34.900 1.00 0.00 H new ATOM 0 HG2 GLU A 56 35.670 58.362 -33.994 1.00 0.00 H new ATOM 0 HG3 GLU A 56 35.681 57.805 -35.655 1.00 0.00 H new ATOM 923 N ALA A 57 40.298 57.579 -34.227 1.00 0.00 N ATOM 924 CA ALA A 57 41.777 57.411 -34.131 1.00 0.00 C ATOM 925 C ALA A 57 42.471 58.780 -34.075 1.00 0.00 C ATOM 926 O ALA A 57 43.249 59.126 -34.942 1.00 0.00 O ATOM 927 CB ALA A 57 42.274 56.643 -35.355 1.00 0.00 C ATOM 0 H ALA A 57 39.876 57.233 -35.089 1.00 0.00 H new ATOM 0 HA ALA A 57 42.013 56.860 -33.220 1.00 0.00 H new ATOM 0 HB1 ALA A 57 43.355 56.517 -35.291 1.00 0.00 H new ATOM 0 HB2 ALA A 57 41.796 55.664 -35.389 1.00 0.00 H new ATOM 0 HB3 ALA A 57 42.027 57.200 -36.259 1.00 0.00 H new ATOM 933 N GLU A 58 42.206 59.556 -33.062 1.00 0.00 N ATOM 934 CA GLU A 58 42.858 60.893 -32.954 1.00 0.00 C ATOM 935 C GLU A 58 44.286 60.721 -32.429 1.00 0.00 C ATOM 936 O GLU A 58 44.890 59.706 -32.735 1.00 0.00 O ATOM 937 CB GLU A 58 42.062 61.770 -31.985 1.00 0.00 C ATOM 938 CG GLU A 58 42.169 61.195 -30.572 1.00 0.00 C ATOM 939 CD GLU A 58 40.813 60.632 -30.145 1.00 0.00 C ATOM 940 OE1 GLU A 58 39.809 61.127 -30.630 1.00 0.00 O ATOM 941 OE2 GLU A 58 40.800 59.714 -29.341 1.00 0.00 O ATOM 942 OXT GLU A 58 44.750 61.606 -31.730 1.00 0.00 O ATOM 0 H GLU A 58 41.566 59.323 -32.303 1.00 0.00 H new ATOM 0 HA GLU A 58 42.885 61.366 -33.936 1.00 0.00 H new ATOM 0 HB2 GLU A 58 42.444 62.791 -32.004 1.00 0.00 H new ATOM 0 HB3 GLU A 58 41.017 61.815 -32.293 1.00 0.00 H new ATOM 0 HG2 GLU A 58 42.925 60.411 -30.544 1.00 0.00 H new ATOM 0 HG3 GLU A 58 42.488 61.971 -29.876 1.00 0.00 H new