USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 278 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 27 THR OG1 : rot 109:sc= 0.686 USER MOD Set 1.2: A 30 GLN : amide:sc= 0.617 K(o=1.3,f=-1.3) USER MOD Set 2.1: A 25 ASN : amide:sc= 0.879 K(o=1.8,f=-7.5!) USER MOD Set 2.2: A 47 LYS NZ :NH3+ 163:sc= 0.94 (180deg=0) USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=-0.0031) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 149:sc= 1.19 USER MOD Single : A 31 ASN : amide:sc= -0.0265 K(o=-0.026,f=-2.2!) USER MOD Single : A 44 GLN : amide:sc= -0.119 X(o=-0.12,f=-0.12) USER MOD Single : A 45 ASN : amide:sc= -0.297 K(o=-0.3,f=-0.88) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 HIS : no HE2:sc= -0.0679 X(o=-0.068,f=-0.5) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 ASN : amide:sc= -0.0749 K(o=-0.075,f=-2.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 17 35.694 12.631 -6.682 1.00 0.00 N ATOM 2 CA PHE A 17 34.887 11.605 -5.935 1.00 0.00 C ATOM 3 C PHE A 17 33.427 11.963 -5.656 1.00 0.00 C ATOM 4 O PHE A 17 33.104 12.952 -5.000 1.00 0.00 O ATOM 5 CB PHE A 17 35.675 11.287 -4.626 1.00 0.00 C ATOM 6 CG PHE A 17 35.029 10.286 -3.687 1.00 0.00 C ATOM 7 CD1 PHE A 17 35.057 10.536 -2.302 1.00 0.00 C ATOM 8 CD2 PHE A 17 34.357 9.139 -4.149 1.00 0.00 C ATOM 9 CE1 PHE A 17 34.413 9.678 -1.402 1.00 0.00 C ATOM 10 CE2 PHE A 17 33.689 8.296 -3.253 1.00 0.00 C ATOM 11 CZ PHE A 17 33.721 8.559 -1.879 1.00 0.00 C ATOM 0 HA PHE A 17 34.781 10.731 -6.578 1.00 0.00 H new ATOM 0 HB2 PHE A 17 36.661 10.913 -4.901 1.00 0.00 H new ATOM 0 HB3 PHE A 17 35.828 12.219 -4.082 1.00 0.00 H new ATOM 0 HD1 PHE A 17 35.583 11.402 -1.928 1.00 0.00 H new ATOM 0 HD2 PHE A 17 34.357 8.907 -5.204 1.00 0.00 H new ATOM 0 HE1 PHE A 17 34.450 9.879 -0.342 1.00 0.00 H new ATOM 0 HE2 PHE A 17 33.147 7.439 -3.624 1.00 0.00 H new ATOM 0 HZ PHE A 17 33.214 7.901 -1.189 1.00 0.00 H new ATOM 23 N ASP A 18 32.498 11.111 -6.153 1.00 0.00 N ATOM 24 CA ASP A 18 31.104 11.112 -5.769 1.00 0.00 C ATOM 25 C ASP A 18 30.773 9.720 -5.249 1.00 0.00 C ATOM 26 O ASP A 18 31.428 8.740 -5.604 1.00 0.00 O ATOM 27 CB ASP A 18 30.176 11.472 -6.959 1.00 0.00 C ATOM 28 CG ASP A 18 30.415 12.908 -7.410 1.00 0.00 C ATOM 29 OD1 ASP A 18 30.848 13.093 -8.578 1.00 0.00 O ATOM 30 OD2 ASP A 18 30.112 13.829 -6.609 1.00 0.00 O ATOM 0 H ASP A 18 32.723 10.397 -6.846 1.00 0.00 H new ATOM 0 HA ASP A 18 30.939 11.869 -5.003 1.00 0.00 H new ATOM 0 HB2 ASP A 18 30.358 10.789 -7.789 1.00 0.00 H new ATOM 0 HB3 ASP A 18 29.134 11.346 -6.666 1.00 0.00 H new ATOM 35 N VAL A 19 29.737 9.601 -4.393 1.00 0.00 N ATOM 36 CA VAL A 19 29.246 8.318 -3.925 1.00 0.00 C ATOM 37 C VAL A 19 27.755 8.272 -4.198 1.00 0.00 C ATOM 38 O VAL A 19 27.036 9.248 -3.991 1.00 0.00 O ATOM 39 CB VAL A 19 29.589 8.055 -2.451 1.00 0.00 C ATOM 40 CG1 VAL A 19 28.991 9.123 -1.509 1.00 0.00 C ATOM 41 CG2 VAL A 19 29.166 6.632 -2.030 1.00 0.00 C ATOM 0 H VAL A 19 29.227 10.400 -4.016 1.00 0.00 H new ATOM 0 HA VAL A 19 29.744 7.512 -4.465 1.00 0.00 H new ATOM 0 HB VAL A 19 30.672 8.128 -2.357 1.00 0.00 H new ATOM 0 HG11 VAL A 19 29.262 8.892 -0.479 1.00 0.00 H new ATOM 0 HG12 VAL A 19 29.383 10.104 -1.776 1.00 0.00 H new ATOM 0 HG13 VAL A 19 27.905 9.127 -1.606 1.00 0.00 H new ATOM 0 HG21 VAL A 19 29.420 6.472 -0.982 1.00 0.00 H new ATOM 0 HG22 VAL A 19 28.090 6.518 -2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 19 29.688 5.900 -2.646 1.00 0.00 H new ATOM 51 N VAL A 20 27.268 7.127 -4.723 1.00 0.00 N ATOM 52 CA VAL A 20 25.859 6.859 -4.961 1.00 0.00 C ATOM 53 C VAL A 20 25.546 5.497 -4.392 1.00 0.00 C ATOM 54 O VAL A 20 26.442 4.680 -4.171 1.00 0.00 O ATOM 55 CB VAL A 20 25.418 6.915 -6.431 1.00 0.00 C ATOM 56 CG1 VAL A 20 25.574 8.352 -6.969 1.00 0.00 C ATOM 57 CG2 VAL A 20 26.232 5.919 -7.287 1.00 0.00 C ATOM 0 H VAL A 20 27.872 6.351 -4.996 1.00 0.00 H new ATOM 0 HA VAL A 20 25.302 7.659 -4.473 1.00 0.00 H new ATOM 0 HB VAL A 20 24.368 6.628 -6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 20 25.260 8.386 -8.012 1.00 0.00 H new ATOM 0 HG12 VAL A 20 24.955 9.030 -6.381 1.00 0.00 H new ATOM 0 HG13 VAL A 20 26.618 8.657 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 20 25.902 5.976 -8.324 1.00 0.00 H new ATOM 0 HG22 VAL A 20 27.291 6.170 -7.229 1.00 0.00 H new ATOM 0 HG23 VAL A 20 26.078 4.907 -6.913 1.00 0.00 H new ATOM 67 N SER A 21 24.253 5.215 -4.121 1.00 0.00 N ATOM 68 CA SER A 21 23.808 3.908 -3.682 1.00 0.00 C ATOM 69 C SER A 21 23.720 2.906 -4.825 1.00 0.00 C ATOM 70 O SER A 21 23.538 3.256 -5.989 1.00 0.00 O ATOM 71 CB SER A 21 22.448 4.000 -2.932 1.00 0.00 C ATOM 72 OG SER A 21 21.415 4.510 -3.773 1.00 0.00 O ATOM 0 H SER A 21 23.501 5.899 -4.206 1.00 0.00 H new ATOM 0 HA SER A 21 24.565 3.541 -2.989 1.00 0.00 H new ATOM 0 HB2 SER A 21 22.166 3.012 -2.567 1.00 0.00 H new ATOM 0 HB3 SER A 21 22.557 4.643 -2.059 1.00 0.00 H new ATOM 0 HG SER A 21 20.575 4.553 -3.270 1.00 0.00 H new ATOM 78 N CYS A 22 23.865 1.601 -4.500 1.00 0.00 N ATOM 79 CA CYS A 22 23.883 0.526 -5.481 1.00 0.00 C ATOM 80 C CYS A 22 22.561 -0.232 -5.459 1.00 0.00 C ATOM 81 O CYS A 22 22.373 -1.212 -6.175 1.00 0.00 O ATOM 82 CB CYS A 22 25.071 -0.418 -5.166 1.00 0.00 C ATOM 83 SG CYS A 22 25.583 -1.538 -6.503 1.00 0.00 S ATOM 0 H CYS A 22 23.973 1.277 -3.539 1.00 0.00 H new ATOM 0 HA CYS A 22 24.010 0.939 -6.482 1.00 0.00 H new ATOM 0 HB2 CYS A 22 25.928 0.193 -4.884 1.00 0.00 H new ATOM 0 HB3 CYS A 22 24.809 -1.020 -4.296 1.00 0.00 H new ATOM 88 N ASN A 23 21.603 0.245 -4.626 1.00 0.00 N ATOM 89 CA ASN A 23 20.261 -0.288 -4.420 1.00 0.00 C ATOM 90 C ASN A 23 20.225 -1.738 -3.952 1.00 0.00 C ATOM 91 O ASN A 23 19.392 -2.529 -4.391 1.00 0.00 O ATOM 92 CB ASN A 23 19.388 -0.129 -5.694 1.00 0.00 C ATOM 93 CG ASN A 23 19.280 1.356 -6.031 1.00 0.00 C ATOM 94 OD1 ASN A 23 18.737 2.143 -5.251 1.00 0.00 O ATOM 95 ND2 ASN A 23 19.849 1.753 -7.199 1.00 0.00 N ATOM 0 H ASN A 23 21.773 1.068 -4.048 1.00 0.00 H new ATOM 0 HA ASN A 23 19.847 0.311 -3.609 1.00 0.00 H new ATOM 0 HB2 ASN A 23 19.832 -0.674 -6.527 1.00 0.00 H new ATOM 0 HB3 ASN A 23 18.397 -0.552 -5.528 1.00 0.00 H new ATOM 0 HD21 ASN A 23 19.839 2.738 -7.462 1.00 0.00 H new ATOM 0 HD22 ASN A 23 20.287 1.066 -7.813 1.00 0.00 H new ATOM 102 N LYS A 24 21.129 -2.113 -3.021 1.00 0.00 N ATOM 103 CA LYS A 24 21.234 -3.474 -2.546 1.00 0.00 C ATOM 104 C LYS A 24 21.474 -3.426 -1.045 1.00 0.00 C ATOM 105 O LYS A 24 22.286 -2.632 -0.569 1.00 0.00 O ATOM 106 CB LYS A 24 22.398 -4.197 -3.266 1.00 0.00 C ATOM 107 CG LYS A 24 22.550 -5.694 -2.961 1.00 0.00 C ATOM 108 CD LYS A 24 21.412 -6.511 -3.594 1.00 0.00 C ATOM 109 CE LYS A 24 21.698 -8.012 -3.612 1.00 0.00 C ATOM 110 NZ LYS A 24 20.576 -8.726 -4.252 1.00 0.00 N ATOM 0 H LYS A 24 21.795 -1.471 -2.591 1.00 0.00 H new ATOM 0 HA LYS A 24 20.319 -4.027 -2.757 1.00 0.00 H new ATOM 0 HB2 LYS A 24 22.265 -4.077 -4.341 1.00 0.00 H new ATOM 0 HB3 LYS A 24 23.329 -3.696 -3.002 1.00 0.00 H new ATOM 0 HG2 LYS A 24 23.509 -6.049 -3.339 1.00 0.00 H new ATOM 0 HG3 LYS A 24 22.555 -5.849 -1.882 1.00 0.00 H new ATOM 0 HD2 LYS A 24 20.490 -6.328 -3.042 1.00 0.00 H new ATOM 0 HD3 LYS A 24 21.247 -6.165 -4.614 1.00 0.00 H new ATOM 0 HE2 LYS A 24 22.623 -8.209 -4.154 1.00 0.00 H new ATOM 0 HE3 LYS A 24 21.841 -8.377 -2.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 20.775 -9.747 -4.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 19.702 -8.549 -3.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 20.460 -8.386 -5.228 1.00 0.00 H new ATOM 124 N ASN A 25 20.752 -4.264 -0.262 1.00 0.00 N ATOM 125 CA ASN A 25 20.842 -4.336 1.189 1.00 0.00 C ATOM 126 C ASN A 25 21.919 -5.335 1.576 1.00 0.00 C ATOM 127 O ASN A 25 21.951 -6.448 1.054 1.00 0.00 O ATOM 128 CB ASN A 25 19.462 -4.747 1.796 1.00 0.00 C ATOM 129 CG ASN A 25 19.376 -4.729 3.331 1.00 0.00 C ATOM 130 OD1 ASN A 25 18.822 -3.804 3.928 1.00 0.00 O ATOM 131 ND2 ASN A 25 19.918 -5.796 3.972 1.00 0.00 N ATOM 0 H ASN A 25 20.075 -4.922 -0.649 1.00 0.00 H new ATOM 0 HA ASN A 25 21.107 -3.356 1.587 1.00 0.00 H new ATOM 0 HB2 ASN A 25 18.698 -4.078 1.400 1.00 0.00 H new ATOM 0 HB3 ASN A 25 19.218 -5.751 1.449 1.00 0.00 H new ATOM 0 HD21 ASN A 25 19.876 -5.855 4.989 1.00 0.00 H new ATOM 0 HD22 ASN A 25 20.367 -6.539 3.436 1.00 0.00 H new ATOM 138 N CYS A 26 22.808 -4.974 2.529 1.00 0.00 N ATOM 139 CA CYS A 26 23.843 -5.876 2.995 1.00 0.00 C ATOM 140 C CYS A 26 23.881 -5.900 4.513 1.00 0.00 C ATOM 141 O CYS A 26 23.495 -4.950 5.190 1.00 0.00 O ATOM 142 CB CYS A 26 25.219 -5.484 2.385 1.00 0.00 C ATOM 143 SG CYS A 26 25.747 -3.782 2.770 1.00 0.00 S ATOM 0 H CYS A 26 22.815 -4.059 2.980 1.00 0.00 H new ATOM 0 HA CYS A 26 23.612 -6.887 2.658 1.00 0.00 H new ATOM 0 HB2 CYS A 26 25.976 -6.179 2.748 1.00 0.00 H new ATOM 0 HB3 CYS A 26 25.171 -5.602 1.302 1.00 0.00 H new ATOM 148 N THR A 27 24.334 -7.026 5.102 1.00 0.00 N ATOM 149 CA THR A 27 24.167 -7.274 6.530 1.00 0.00 C ATOM 150 C THR A 27 25.549 -7.603 7.049 1.00 0.00 C ATOM 151 O THR A 27 26.365 -8.163 6.307 1.00 0.00 O ATOM 152 CB THR A 27 23.249 -8.445 6.864 1.00 0.00 C ATOM 153 OG1 THR A 27 22.046 -8.396 6.106 1.00 0.00 O ATOM 154 CG2 THR A 27 22.791 -8.388 8.333 1.00 0.00 C ATOM 0 H THR A 27 24.817 -7.772 4.602 1.00 0.00 H new ATOM 0 HA THR A 27 23.707 -6.394 6.980 1.00 0.00 H new ATOM 0 HB THR A 27 23.828 -9.343 6.648 1.00 0.00 H new ATOM 0 HG1 THR A 27 22.054 -9.109 5.434 1.00 0.00 H new ATOM 0 HG21 THR A 27 22.138 -9.235 8.544 1.00 0.00 H new ATOM 0 HG22 THR A 27 23.662 -8.430 8.987 1.00 0.00 H new ATOM 0 HG23 THR A 27 22.249 -7.459 8.509 1.00 0.00 H new ATOM 162 N SER A 28 25.879 -7.286 8.330 1.00 0.00 N ATOM 163 CA SER A 28 27.122 -7.754 8.931 1.00 0.00 C ATOM 164 C SER A 28 27.125 -9.278 8.998 1.00 0.00 C ATOM 165 O SER A 28 26.132 -9.912 9.351 1.00 0.00 O ATOM 166 CB SER A 28 27.371 -7.192 10.358 1.00 0.00 C ATOM 167 OG SER A 28 28.624 -7.637 10.879 1.00 0.00 O ATOM 0 H SER A 28 25.299 -6.715 8.945 1.00 0.00 H new ATOM 0 HA SER A 28 27.925 -7.386 8.292 1.00 0.00 H new ATOM 0 HB2 SER A 28 27.352 -6.103 10.331 1.00 0.00 H new ATOM 0 HB3 SER A 28 26.566 -7.508 11.021 1.00 0.00 H new ATOM 0 HG SER A 28 28.995 -6.950 11.471 1.00 0.00 H new ATOM 173 N GLY A 29 28.250 -9.895 8.581 1.00 0.00 N ATOM 174 CA GLY A 29 28.371 -11.332 8.419 1.00 0.00 C ATOM 175 C GLY A 29 28.059 -11.780 7.018 1.00 0.00 C ATOM 176 O GLY A 29 28.389 -12.904 6.654 1.00 0.00 O ATOM 0 H GLY A 29 29.104 -9.388 8.348 1.00 0.00 H new ATOM 0 HA2 GLY A 29 29.384 -11.640 8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 29 27.697 -11.831 9.116 1.00 0.00 H new ATOM 180 N GLN A 30 27.424 -10.918 6.186 1.00 0.00 N ATOM 181 CA GLN A 30 27.087 -11.278 4.821 1.00 0.00 C ATOM 182 C GLN A 30 27.862 -10.454 3.809 1.00 0.00 C ATOM 183 O GLN A 30 28.507 -11.022 2.934 1.00 0.00 O ATOM 184 CB GLN A 30 25.577 -11.058 4.541 1.00 0.00 C ATOM 185 CG GLN A 30 24.641 -11.951 5.385 1.00 0.00 C ATOM 186 CD GLN A 30 23.176 -11.651 5.044 1.00 0.00 C ATOM 187 OE1 GLN A 30 22.849 -10.603 4.477 1.00 0.00 O ATOM 188 NE2 GLN A 30 22.261 -12.578 5.425 1.00 0.00 N ATOM 0 H GLN A 30 27.143 -9.974 6.453 1.00 0.00 H new ATOM 0 HA GLN A 30 27.347 -12.331 4.716 1.00 0.00 H new ATOM 0 HB2 GLN A 30 25.332 -10.013 4.730 1.00 0.00 H new ATOM 0 HB3 GLN A 30 25.384 -11.244 3.485 1.00 0.00 H new ATOM 0 HG2 GLN A 30 24.859 -13.002 5.194 1.00 0.00 H new ATOM 0 HG3 GLN A 30 24.818 -11.776 6.446 1.00 0.00 H new ATOM 0 HE21 GLN A 30 22.565 -13.433 5.891 1.00 0.00 H new ATOM 0 HE22 GLN A 30 21.270 -12.420 5.245 1.00 0.00 H new ATOM 197 N ASN A 31 27.820 -9.094 3.900 1.00 0.00 N ATOM 198 CA ASN A 31 28.457 -8.176 2.949 1.00 0.00 C ATOM 199 C ASN A 31 28.174 -8.448 1.466 1.00 0.00 C ATOM 200 O ASN A 31 29.053 -8.341 0.613 1.00 0.00 O ATOM 201 CB ASN A 31 29.992 -8.053 3.192 1.00 0.00 C ATOM 202 CG ASN A 31 30.277 -7.240 4.453 1.00 0.00 C ATOM 203 OD1 ASN A 31 30.368 -6.012 4.390 1.00 0.00 O ATOM 204 ND2 ASN A 31 30.397 -7.893 5.632 1.00 0.00 N ATOM 0 H ASN A 31 27.331 -8.611 4.654 1.00 0.00 H new ATOM 0 HA ASN A 31 27.975 -7.222 3.163 1.00 0.00 H new ATOM 0 HB2 ASN A 31 30.431 -9.046 3.287 1.00 0.00 H new ATOM 0 HB3 ASN A 31 30.464 -7.577 2.332 1.00 0.00 H new ATOM 0 HD21 ASN A 31 30.566 -7.369 6.490 1.00 0.00 H new ATOM 0 HD22 ASN A 31 30.318 -8.910 5.662 1.00 0.00 H new ATOM 211 N GLU A 32 26.911 -8.780 1.111 1.00 0.00 N ATOM 212 CA GLU A 32 26.532 -9.078 -0.259 1.00 0.00 C ATOM 213 C GLU A 32 26.230 -7.814 -1.042 1.00 0.00 C ATOM 214 O GLU A 32 25.238 -7.135 -0.790 1.00 0.00 O ATOM 215 CB GLU A 32 25.282 -9.999 -0.308 1.00 0.00 C ATOM 216 CG GLU A 32 25.522 -11.441 0.211 1.00 0.00 C ATOM 217 CD GLU A 32 26.377 -12.282 -0.741 1.00 0.00 C ATOM 218 OE1 GLU A 32 25.952 -12.449 -1.914 1.00 0.00 O ATOM 219 OE2 GLU A 32 27.442 -12.780 -0.297 1.00 0.00 O ATOM 0 H GLU A 32 26.140 -8.844 1.776 1.00 0.00 H new ATOM 0 HA GLU A 32 27.382 -9.588 -0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 32 24.487 -9.542 0.282 1.00 0.00 H new ATOM 0 HB3 GLU A 32 24.926 -10.052 -1.337 1.00 0.00 H new ATOM 0 HG2 GLU A 32 26.010 -11.395 1.185 1.00 0.00 H new ATOM 0 HG3 GLU A 32 24.561 -11.933 0.359 1.00 0.00 H new ATOM 226 N CYS A 33 27.077 -7.500 -2.045 1.00 0.00 N ATOM 227 CA CYS A 33 26.849 -6.440 -3.005 1.00 0.00 C ATOM 228 C CYS A 33 27.186 -7.022 -4.365 1.00 0.00 C ATOM 229 O CYS A 33 27.974 -7.970 -4.405 1.00 0.00 O ATOM 230 CB CYS A 33 27.745 -5.195 -2.760 1.00 0.00 C ATOM 231 SG CYS A 33 27.481 -4.422 -1.133 1.00 0.00 S ATOM 0 H CYS A 33 27.954 -7.998 -2.199 1.00 0.00 H new ATOM 0 HA CYS A 33 25.816 -6.101 -2.923 1.00 0.00 H new ATOM 0 HB2 CYS A 33 28.791 -5.487 -2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 33 27.551 -4.458 -3.540 1.00 0.00 H new ATOM 236 N PRO A 34 26.671 -6.543 -5.499 1.00 0.00 N ATOM 237 CA PRO A 34 27.215 -6.877 -6.813 1.00 0.00 C ATOM 238 C PRO A 34 28.571 -6.212 -7.016 1.00 0.00 C ATOM 239 O PRO A 34 28.907 -5.262 -6.309 1.00 0.00 O ATOM 240 CB PRO A 34 26.162 -6.325 -7.788 1.00 0.00 C ATOM 241 CG PRO A 34 25.554 -5.137 -7.039 1.00 0.00 C ATOM 242 CD PRO A 34 25.536 -5.619 -5.589 1.00 0.00 C ATOM 0 HA PRO A 34 27.389 -7.944 -6.951 1.00 0.00 H new ATOM 0 HB2 PRO A 34 26.614 -6.014 -8.730 1.00 0.00 H new ATOM 0 HB3 PRO A 34 25.408 -7.074 -8.028 1.00 0.00 H new ATOM 0 HG2 PRO A 34 26.154 -4.235 -7.157 1.00 0.00 H new ATOM 0 HG3 PRO A 34 24.552 -4.903 -7.399 1.00 0.00 H new ATOM 0 HD2 PRO A 34 25.644 -4.788 -4.892 1.00 0.00 H new ATOM 0 HD3 PRO A 34 24.597 -6.118 -5.347 1.00 0.00 H new ATOM 250 N GLU A 35 29.395 -6.716 -7.964 1.00 0.00 N ATOM 251 CA GLU A 35 30.745 -6.220 -8.163 1.00 0.00 C ATOM 252 C GLU A 35 30.798 -4.771 -8.640 1.00 0.00 C ATOM 253 O GLU A 35 29.974 -4.315 -9.431 1.00 0.00 O ATOM 254 CB GLU A 35 31.546 -7.126 -9.142 1.00 0.00 C ATOM 255 CG GLU A 35 30.997 -7.174 -10.593 1.00 0.00 C ATOM 256 CD GLU A 35 31.808 -8.114 -11.487 1.00 0.00 C ATOM 257 OE1 GLU A 35 31.808 -9.339 -11.199 1.00 0.00 O ATOM 258 OE2 GLU A 35 32.423 -7.613 -12.463 1.00 0.00 O ATOM 0 H GLU A 35 29.131 -7.470 -8.598 1.00 0.00 H new ATOM 0 HA GLU A 35 31.211 -6.251 -7.178 1.00 0.00 H new ATOM 0 HB2 GLU A 35 32.579 -6.778 -9.172 1.00 0.00 H new ATOM 0 HB3 GLU A 35 31.563 -8.140 -8.743 1.00 0.00 H new ATOM 0 HG2 GLU A 35 29.957 -7.499 -10.576 1.00 0.00 H new ATOM 0 HG3 GLU A 35 31.010 -6.170 -11.018 1.00 0.00 H new ATOM 265 N GLY A 36 31.786 -4.003 -8.123 1.00 0.00 N ATOM 266 CA GLY A 36 31.894 -2.564 -8.342 1.00 0.00 C ATOM 267 C GLY A 36 31.284 -1.762 -7.221 1.00 0.00 C ATOM 268 O GLY A 36 31.528 -0.563 -7.109 1.00 0.00 O ATOM 0 H GLY A 36 32.532 -4.381 -7.538 1.00 0.00 H new ATOM 0 HA2 GLY A 36 32.945 -2.294 -8.448 1.00 0.00 H new ATOM 0 HA3 GLY A 36 31.402 -2.305 -9.279 1.00 0.00 H new ATOM 272 N CYS A 37 30.491 -2.414 -6.346 1.00 0.00 N ATOM 273 CA CYS A 37 29.853 -1.798 -5.201 1.00 0.00 C ATOM 274 C CYS A 37 30.405 -2.395 -3.917 1.00 0.00 C ATOM 275 O CYS A 37 30.906 -3.518 -3.900 1.00 0.00 O ATOM 276 CB CYS A 37 28.312 -1.972 -5.242 1.00 0.00 C ATOM 277 SG CYS A 37 27.569 -1.154 -6.689 1.00 0.00 S ATOM 0 H CYS A 37 30.281 -3.408 -6.433 1.00 0.00 H new ATOM 0 HA CYS A 37 30.071 -0.730 -5.233 1.00 0.00 H new ATOM 0 HB2 CYS A 37 28.068 -3.034 -5.261 1.00 0.00 H new ATOM 0 HB3 CYS A 37 27.877 -1.562 -4.331 1.00 0.00 H new ATOM 282 N PHE A 38 30.340 -1.635 -2.801 1.00 0.00 N ATOM 283 CA PHE A 38 30.849 -2.064 -1.507 1.00 0.00 C ATOM 284 C PHE A 38 29.770 -1.844 -0.465 1.00 0.00 C ATOM 285 O PHE A 38 28.846 -1.058 -0.667 1.00 0.00 O ATOM 286 CB PHE A 38 32.164 -1.322 -1.085 1.00 0.00 C ATOM 287 CG PHE A 38 31.994 0.161 -0.818 1.00 0.00 C ATOM 288 CD1 PHE A 38 31.896 0.643 0.502 1.00 0.00 C ATOM 289 CD2 PHE A 38 31.827 1.065 -1.878 1.00 0.00 C ATOM 290 CE1 PHE A 38 31.675 2.005 0.754 1.00 0.00 C ATOM 291 CE2 PHE A 38 31.554 2.414 -1.627 1.00 0.00 C ATOM 292 CZ PHE A 38 31.509 2.893 -0.315 1.00 0.00 C ATOM 0 H PHE A 38 29.927 -0.702 -2.787 1.00 0.00 H new ATOM 0 HA PHE A 38 31.107 -3.120 -1.585 1.00 0.00 H new ATOM 0 HB2 PHE A 38 32.561 -1.796 -0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 38 32.908 -1.453 -1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 38 31.992 -0.044 1.330 1.00 0.00 H new ATOM 0 HD2 PHE A 38 31.910 0.716 -2.897 1.00 0.00 H new ATOM 0 HE1 PHE A 38 31.633 2.368 1.770 1.00 0.00 H new ATOM 0 HE2 PHE A 38 31.377 3.089 -2.452 1.00 0.00 H new ATOM 0 HZ PHE A 38 31.347 3.944 -0.127 1.00 0.00 H new ATOM 302 N CYS A 39 29.852 -2.557 0.678 1.00 0.00 N ATOM 303 CA CYS A 39 28.833 -2.525 1.710 1.00 0.00 C ATOM 304 C CYS A 39 29.110 -1.408 2.700 1.00 0.00 C ATOM 305 O CYS A 39 30.194 -1.320 3.277 1.00 0.00 O ATOM 306 CB CYS A 39 28.768 -3.893 2.443 1.00 0.00 C ATOM 307 SG CYS A 39 27.499 -4.024 3.745 1.00 0.00 S ATOM 0 H CYS A 39 30.637 -3.170 0.897 1.00 0.00 H new ATOM 0 HA CYS A 39 27.869 -2.334 1.238 1.00 0.00 H new ATOM 0 HB2 CYS A 39 28.588 -4.674 1.704 1.00 0.00 H new ATOM 0 HB3 CYS A 39 29.743 -4.094 2.888 1.00 0.00 H new ATOM 312 N GLY A 40 28.114 -0.520 2.941 1.00 0.00 N ATOM 313 CA GLY A 40 28.258 0.595 3.864 1.00 0.00 C ATOM 314 C GLY A 40 28.032 0.224 5.303 1.00 0.00 C ATOM 315 O GLY A 40 27.072 0.665 5.929 1.00 0.00 O ATOM 0 H GLY A 40 27.198 -0.570 2.495 1.00 0.00 H new ATOM 0 HA2 GLY A 40 29.259 1.014 3.759 1.00 0.00 H new ATOM 0 HA3 GLY A 40 27.553 1.379 3.585 1.00 0.00 H new ATOM 319 N LEU A 41 28.952 -0.585 5.858 1.00 0.00 N ATOM 320 CA LEU A 41 29.036 -0.908 7.265 1.00 0.00 C ATOM 321 C LEU A 41 30.175 -0.163 7.908 1.00 0.00 C ATOM 322 O LEU A 41 31.280 -0.082 7.377 1.00 0.00 O ATOM 323 CB LEU A 41 29.223 -2.419 7.524 1.00 0.00 C ATOM 324 CG LEU A 41 27.957 -3.258 7.282 1.00 0.00 C ATOM 325 CD1 LEU A 41 28.291 -4.752 7.201 1.00 0.00 C ATOM 326 CD2 LEU A 41 26.949 -3.029 8.419 1.00 0.00 C ATOM 0 H LEU A 41 29.678 -1.041 5.305 1.00 0.00 H new ATOM 0 HA LEU A 41 28.085 -0.606 7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 41 30.021 -2.791 6.881 1.00 0.00 H new ATOM 0 HB3 LEU A 41 29.550 -2.563 8.554 1.00 0.00 H new ATOM 0 HG LEU A 41 27.524 -2.943 6.333 1.00 0.00 H new ATOM 0 HD11 LEU A 41 27.377 -5.320 7.029 1.00 0.00 H new ATOM 0 HD12 LEU A 41 28.986 -4.925 6.379 1.00 0.00 H new ATOM 0 HD13 LEU A 41 28.748 -5.074 8.137 1.00 0.00 H new ATOM 0 HD21 LEU A 41 26.056 -3.627 8.239 1.00 0.00 H new ATOM 0 HD22 LEU A 41 27.398 -3.323 9.368 1.00 0.00 H new ATOM 0 HD23 LEU A 41 26.678 -1.974 8.458 1.00 0.00 H new ATOM 338 N LEU A 42 29.885 0.427 9.086 1.00 0.00 N ATOM 339 CA LEU A 42 30.707 1.405 9.758 1.00 0.00 C ATOM 340 C LEU A 42 31.981 0.769 10.300 1.00 0.00 C ATOM 341 O LEU A 42 33.090 1.268 10.131 1.00 0.00 O ATOM 342 CB LEU A 42 29.898 2.024 10.922 1.00 0.00 C ATOM 343 CG LEU A 42 28.557 2.709 10.532 1.00 0.00 C ATOM 344 CD1 LEU A 42 28.608 3.519 9.224 1.00 0.00 C ATOM 345 CD2 LEU A 42 27.375 1.711 10.501 1.00 0.00 C ATOM 0 H LEU A 42 29.031 0.213 9.601 1.00 0.00 H new ATOM 0 HA LEU A 42 30.992 2.177 9.044 1.00 0.00 H new ATOM 0 HB2 LEU A 42 29.685 1.239 11.648 1.00 0.00 H new ATOM 0 HB3 LEU A 42 30.526 2.760 11.424 1.00 0.00 H new ATOM 0 HG LEU A 42 28.388 3.431 11.331 1.00 0.00 H new ATOM 0 HD11 LEU A 42 27.630 3.961 9.031 1.00 0.00 H new ATOM 0 HD12 LEU A 42 29.352 4.310 9.315 1.00 0.00 H new ATOM 0 HD13 LEU A 42 28.878 2.860 8.398 1.00 0.00 H new ATOM 0 HD21 LEU A 42 26.462 2.237 10.224 1.00 0.00 H new ATOM 0 HD22 LEU A 42 27.579 0.928 9.770 1.00 0.00 H new ATOM 0 HD23 LEU A 42 27.251 1.263 11.487 1.00 0.00 H new ATOM 357 N GLY A 43 31.801 -0.407 10.930 1.00 0.00 N ATOM 358 CA GLY A 43 32.850 -1.311 11.358 1.00 0.00 C ATOM 359 C GLY A 43 32.220 -2.657 11.569 1.00 0.00 C ATOM 360 O GLY A 43 32.381 -3.271 12.618 1.00 0.00 O ATOM 0 H GLY A 43 30.870 -0.756 11.159 1.00 0.00 H new ATOM 0 HA2 GLY A 43 33.638 -1.369 10.607 1.00 0.00 H new ATOM 0 HA3 GLY A 43 33.313 -0.955 12.278 1.00 0.00 H new ATOM 364 N GLN A 44 31.443 -3.109 10.554 1.00 0.00 N ATOM 365 CA GLN A 44 30.680 -4.354 10.518 1.00 0.00 C ATOM 366 C GLN A 44 29.747 -4.564 11.712 1.00 0.00 C ATOM 367 O GLN A 44 29.757 -5.604 12.367 1.00 0.00 O ATOM 368 CB GLN A 44 31.597 -5.597 10.306 1.00 0.00 C ATOM 369 CG GLN A 44 32.340 -5.647 8.942 1.00 0.00 C ATOM 370 CD GLN A 44 33.568 -4.728 8.878 1.00 0.00 C ATOM 371 OE1 GLN A 44 34.499 -4.843 9.677 1.00 0.00 O ATOM 372 NE2 GLN A 44 33.585 -3.798 7.886 1.00 0.00 N ATOM 0 H GLN A 44 31.334 -2.573 9.693 1.00 0.00 H new ATOM 0 HA GLN A 44 30.030 -4.247 9.649 1.00 0.00 H new ATOM 0 HB2 GLN A 44 32.337 -5.623 11.106 1.00 0.00 H new ATOM 0 HB3 GLN A 44 30.990 -6.497 10.404 1.00 0.00 H new ATOM 0 HG2 GLN A 44 32.653 -6.672 8.746 1.00 0.00 H new ATOM 0 HG3 GLN A 44 31.646 -5.368 8.149 1.00 0.00 H new ATOM 0 HE21 GLN A 44 32.799 -3.727 7.240 1.00 0.00 H new ATOM 0 HE22 GLN A 44 34.384 -3.171 7.788 1.00 0.00 H new ATOM 381 N ASN A 45 28.896 -3.557 12.032 1.00 0.00 N ATOM 382 CA ASN A 45 28.184 -3.541 13.299 1.00 0.00 C ATOM 383 C ASN A 45 26.809 -4.196 13.208 1.00 0.00 C ATOM 384 O ASN A 45 26.491 -5.087 13.991 1.00 0.00 O ATOM 385 CB ASN A 45 27.964 -2.082 13.790 1.00 0.00 C ATOM 386 CG ASN A 45 29.265 -1.300 14.001 1.00 0.00 C ATOM 387 OD1 ASN A 45 29.338 -0.142 13.586 1.00 0.00 O ATOM 388 ND2 ASN A 45 30.307 -1.916 14.605 1.00 0.00 N ATOM 0 H ASN A 45 28.699 -2.761 11.426 1.00 0.00 H new ATOM 0 HA ASN A 45 28.808 -4.103 13.994 1.00 0.00 H new ATOM 0 HB2 ASN A 45 27.346 -1.553 13.064 1.00 0.00 H new ATOM 0 HB3 ASN A 45 27.407 -2.103 14.727 1.00 0.00 H new ATOM 0 HD21 ASN A 45 31.190 -1.421 14.729 1.00 0.00 H new ATOM 0 HD22 ASN A 45 30.210 -2.876 14.936 1.00 0.00 H new ATOM 395 N LYS A 46 25.957 -3.752 12.253 1.00 0.00 N ATOM 396 CA LYS A 46 24.579 -4.205 12.137 1.00 0.00 C ATOM 397 C LYS A 46 24.285 -4.591 10.700 1.00 0.00 C ATOM 398 O LYS A 46 24.593 -5.688 10.236 1.00 0.00 O ATOM 399 CB LYS A 46 23.559 -3.127 12.608 1.00 0.00 C ATOM 400 CG LYS A 46 23.695 -2.768 14.095 1.00 0.00 C ATOM 401 CD LYS A 46 22.647 -1.738 14.549 1.00 0.00 C ATOM 402 CE LYS A 46 22.759 -1.389 16.032 1.00 0.00 C ATOM 403 NZ LYS A 46 21.702 -0.427 16.399 1.00 0.00 N ATOM 0 H LYS A 46 26.222 -3.067 11.546 1.00 0.00 H new ATOM 0 HA LYS A 46 24.466 -5.070 12.790 1.00 0.00 H new ATOM 0 HB2 LYS A 46 23.693 -2.225 12.010 1.00 0.00 H new ATOM 0 HB3 LYS A 46 22.548 -3.487 12.420 1.00 0.00 H new ATOM 0 HG2 LYS A 46 23.595 -3.673 14.695 1.00 0.00 H new ATOM 0 HG3 LYS A 46 24.693 -2.372 14.280 1.00 0.00 H new ATOM 0 HD2 LYS A 46 22.759 -0.829 13.958 1.00 0.00 H new ATOM 0 HD3 LYS A 46 21.650 -2.129 14.347 1.00 0.00 H new ATOM 0 HE2 LYS A 46 22.668 -2.292 16.636 1.00 0.00 H new ATOM 0 HE3 LYS A 46 23.740 -0.963 16.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 21.782 -0.192 17.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 21.809 0.439 15.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 20.769 -0.849 16.214 1.00 0.00 H new ATOM 417 N LYS A 47 23.651 -3.668 9.955 1.00 0.00 N ATOM 418 CA LYS A 47 23.271 -3.825 8.579 1.00 0.00 C ATOM 419 C LYS A 47 23.590 -2.513 7.907 1.00 0.00 C ATOM 420 O LYS A 47 23.707 -1.483 8.574 1.00 0.00 O ATOM 421 CB LYS A 47 21.768 -4.175 8.441 1.00 0.00 C ATOM 422 CG LYS A 47 20.803 -3.089 8.957 1.00 0.00 C ATOM 423 CD LYS A 47 19.324 -3.525 8.961 1.00 0.00 C ATOM 424 CE LYS A 47 18.763 -4.005 7.616 1.00 0.00 C ATOM 425 NZ LYS A 47 18.821 -2.919 6.620 1.00 0.00 N ATOM 0 H LYS A 47 23.387 -2.758 10.333 1.00 0.00 H new ATOM 0 HA LYS A 47 23.812 -4.650 8.115 1.00 0.00 H new ATOM 0 HB2 LYS A 47 21.549 -4.367 7.391 1.00 0.00 H new ATOM 0 HB3 LYS A 47 21.574 -5.101 8.982 1.00 0.00 H new ATOM 0 HG2 LYS A 47 21.093 -2.809 9.970 1.00 0.00 H new ATOM 0 HG3 LYS A 47 20.908 -2.198 8.338 1.00 0.00 H new ATOM 0 HD2 LYS A 47 19.204 -4.327 9.690 1.00 0.00 H new ATOM 0 HD3 LYS A 47 18.719 -2.687 9.307 1.00 0.00 H new ATOM 0 HE2 LYS A 47 19.334 -4.863 7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 47 17.733 -4.337 7.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 18.717 -3.318 5.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 18.051 -2.243 6.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 19.736 -2.429 6.693 1.00 0.00 H new ATOM 439 N GLY A 48 23.781 -2.530 6.577 1.00 0.00 N ATOM 440 CA GLY A 48 24.121 -1.347 5.819 1.00 0.00 C ATOM 441 C GLY A 48 23.534 -1.478 4.452 1.00 0.00 C ATOM 442 O GLY A 48 22.748 -2.380 4.165 1.00 0.00 O ATOM 0 H GLY A 48 23.700 -3.374 6.010 1.00 0.00 H new ATOM 0 HA2 GLY A 48 23.735 -0.456 6.314 1.00 0.00 H new ATOM 0 HA3 GLY A 48 25.203 -1.234 5.758 1.00 0.00 H new ATOM 446 N HIS A 49 23.898 -0.562 3.544 1.00 0.00 N ATOM 447 CA HIS A 49 23.330 -0.571 2.219 1.00 0.00 C ATOM 448 C HIS A 49 24.516 -0.434 1.292 1.00 0.00 C ATOM 449 O HIS A 49 25.533 0.151 1.665 1.00 0.00 O ATOM 450 CB HIS A 49 22.307 0.585 2.073 1.00 0.00 C ATOM 451 CG HIS A 49 21.376 0.445 0.901 1.00 0.00 C ATOM 452 ND1 HIS A 49 20.495 -0.622 0.923 1.00 0.00 N ATOM 453 CD2 HIS A 49 21.125 1.244 -0.171 1.00 0.00 C ATOM 454 CE1 HIS A 49 19.739 -0.460 -0.140 1.00 0.00 C ATOM 455 NE2 HIS A 49 20.070 0.657 -0.838 1.00 0.00 N ATOM 0 H HIS A 49 24.576 0.180 3.714 1.00 0.00 H new ATOM 0 HA HIS A 49 22.771 -1.479 1.991 1.00 0.00 H new ATOM 0 HB2 HIS A 49 21.715 0.648 2.986 1.00 0.00 H new ATOM 0 HB3 HIS A 49 22.850 1.525 1.980 1.00 0.00 H new ATOM 0 HD1 HIS A 49 20.444 -1.371 1.614 1.00 0.00 H new ATOM 0 HD2 HIS A 49 21.645 2.151 -0.444 1.00 0.00 H new ATOM 0 HE1 HIS A 49 18.947 -1.136 -0.425 1.00 0.00 H new ATOM 463 N CYS A 50 24.466 -1.042 0.087 1.00 0.00 N ATOM 464 CA CYS A 50 25.609 -1.044 -0.810 1.00 0.00 C ATOM 465 C CYS A 50 25.759 0.279 -1.549 1.00 0.00 C ATOM 466 O CYS A 50 24.780 0.877 -2.003 1.00 0.00 O ATOM 467 CB CYS A 50 25.531 -2.180 -1.859 1.00 0.00 C ATOM 468 SG CYS A 50 25.537 -3.843 -1.124 1.00 0.00 S ATOM 0 H CYS A 50 23.646 -1.531 -0.272 1.00 0.00 H new ATOM 0 HA CYS A 50 26.476 -1.204 -0.169 1.00 0.00 H new ATOM 0 HB2 CYS A 50 24.624 -2.056 -2.451 1.00 0.00 H new ATOM 0 HB3 CYS A 50 26.374 -2.091 -2.544 1.00 0.00 H new ATOM 473 N TYR A 51 27.015 0.756 -1.695 1.00 0.00 N ATOM 474 CA TYR A 51 27.337 2.038 -2.301 1.00 0.00 C ATOM 475 C TYR A 51 28.336 1.797 -3.421 1.00 0.00 C ATOM 476 O TYR A 51 29.051 0.795 -3.425 1.00 0.00 O ATOM 477 CB TYR A 51 28.021 3.045 -1.338 1.00 0.00 C ATOM 478 CG TYR A 51 27.257 3.383 -0.086 1.00 0.00 C ATOM 479 CD1 TYR A 51 25.854 3.426 0.011 1.00 0.00 C ATOM 480 CD2 TYR A 51 28.021 3.660 1.059 1.00 0.00 C ATOM 481 CE1 TYR A 51 25.236 3.675 1.247 1.00 0.00 C ATOM 482 CE2 TYR A 51 27.410 3.907 2.291 1.00 0.00 C ATOM 483 CZ TYR A 51 26.013 3.895 2.391 1.00 0.00 C ATOM 484 OH TYR A 51 25.379 4.079 3.637 1.00 0.00 O ATOM 0 H TYR A 51 27.839 0.240 -1.385 1.00 0.00 H new ATOM 0 HA TYR A 51 26.387 2.462 -2.626 1.00 0.00 H new ATOM 0 HB2 TYR A 51 28.991 2.640 -1.050 1.00 0.00 H new ATOM 0 HB3 TYR A 51 28.211 3.969 -1.885 1.00 0.00 H new ATOM 0 HD1 TYR A 51 25.249 3.267 -0.870 1.00 0.00 H new ATOM 0 HD2 TYR A 51 29.098 3.683 0.986 1.00 0.00 H new ATOM 0 HE1 TYR A 51 24.158 3.697 1.316 1.00 0.00 H new ATOM 0 HE2 TYR A 51 28.013 4.107 3.164 1.00 0.00 H new ATOM 0 HH TYR A 51 26.056 4.219 4.331 1.00 0.00 H new ATOM 494 N LYS A 52 28.411 2.723 -4.401 1.00 0.00 N ATOM 495 CA LYS A 52 29.371 2.678 -5.491 1.00 0.00 C ATOM 496 C LYS A 52 30.363 3.830 -5.350 1.00 0.00 C ATOM 497 O LYS A 52 29.971 4.966 -5.084 1.00 0.00 O ATOM 498 CB LYS A 52 28.645 2.775 -6.856 1.00 0.00 C ATOM 499 CG LYS A 52 29.556 2.650 -8.091 1.00 0.00 C ATOM 500 CD LYS A 52 28.808 2.787 -9.433 1.00 0.00 C ATOM 501 CE LYS A 52 27.729 1.729 -9.667 1.00 0.00 C ATOM 502 NZ LYS A 52 27.172 1.881 -11.027 1.00 0.00 N ATOM 0 H LYS A 52 27.789 3.531 -4.445 1.00 0.00 H new ATOM 0 HA LYS A 52 29.907 1.730 -5.448 1.00 0.00 H new ATOM 0 HB2 LYS A 52 27.886 1.994 -6.903 1.00 0.00 H new ATOM 0 HB3 LYS A 52 28.122 3.730 -6.905 1.00 0.00 H new ATOM 0 HG2 LYS A 52 30.331 3.415 -8.038 1.00 0.00 H new ATOM 0 HG3 LYS A 52 30.059 1.684 -8.063 1.00 0.00 H new ATOM 0 HD2 LYS A 52 28.348 3.774 -9.479 1.00 0.00 H new ATOM 0 HD3 LYS A 52 29.533 2.735 -10.246 1.00 0.00 H new ATOM 0 HE2 LYS A 52 28.151 0.731 -9.546 1.00 0.00 H new ATOM 0 HE3 LYS A 52 26.937 1.832 -8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 26.438 1.161 -11.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 26.754 2.828 -11.127 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 27.931 1.761 -11.728 1.00 0.00 H new ATOM 516 N ILE A 53 31.684 3.562 -5.539 1.00 0.00 N ATOM 517 CA ILE A 53 32.722 4.591 -5.600 1.00 0.00 C ATOM 518 C ILE A 53 32.902 4.989 -7.051 1.00 0.00 C ATOM 519 O ILE A 53 33.224 4.155 -7.896 1.00 0.00 O ATOM 520 CB ILE A 53 34.091 4.143 -5.059 1.00 0.00 C ATOM 521 CG1 ILE A 53 34.055 3.723 -3.568 1.00 0.00 C ATOM 522 CG2 ILE A 53 35.174 5.234 -5.280 1.00 0.00 C ATOM 523 CD1 ILE A 53 33.699 4.842 -2.581 1.00 0.00 C ATOM 0 H ILE A 53 32.046 2.615 -5.652 1.00 0.00 H new ATOM 0 HA ILE A 53 32.387 5.412 -4.967 1.00 0.00 H new ATOM 0 HB ILE A 53 34.356 3.256 -5.634 1.00 0.00 H new ATOM 0 HG12 ILE A 53 33.332 2.915 -3.452 1.00 0.00 H new ATOM 0 HG13 ILE A 53 35.031 3.319 -3.298 1.00 0.00 H new ATOM 0 HG21 ILE A 53 36.128 4.884 -4.886 1.00 0.00 H new ATOM 0 HG22 ILE A 53 35.274 5.437 -6.346 1.00 0.00 H new ATOM 0 HG23 ILE A 53 34.881 6.148 -4.763 1.00 0.00 H new ATOM 0 HD11 ILE A 53 33.701 4.446 -1.566 1.00 0.00 H new ATOM 0 HD12 ILE A 53 34.434 5.643 -2.659 1.00 0.00 H new ATOM 0 HD13 ILE A 53 32.709 5.233 -2.816 1.00 0.00 H new ATOM 535 N ILE A 54 32.719 6.289 -7.371 1.00 0.00 N ATOM 536 CA ILE A 54 33.067 6.845 -8.664 1.00 0.00 C ATOM 537 C ILE A 54 33.928 8.080 -8.495 1.00 0.00 C ATOM 538 O ILE A 54 33.698 8.931 -7.636 1.00 0.00 O ATOM 539 CB ILE A 54 31.866 7.143 -9.575 1.00 0.00 C ATOM 540 CG1 ILE A 54 30.799 8.084 -8.949 1.00 0.00 C ATOM 541 CG2 ILE A 54 31.283 5.817 -10.109 1.00 0.00 C ATOM 542 CD1 ILE A 54 29.763 7.407 -8.031 1.00 0.00 C ATOM 0 H ILE A 54 32.323 6.972 -6.725 1.00 0.00 H new ATOM 0 HA ILE A 54 33.632 6.066 -9.175 1.00 0.00 H new ATOM 0 HB ILE A 54 32.234 7.725 -10.420 1.00 0.00 H new ATOM 0 HG12 ILE A 54 31.314 8.856 -8.377 1.00 0.00 H new ATOM 0 HG13 ILE A 54 30.267 8.587 -9.757 1.00 0.00 H new ATOM 0 HG21 ILE A 54 30.431 6.028 -10.755 1.00 0.00 H new ATOM 0 HG22 ILE A 54 32.047 5.286 -10.677 1.00 0.00 H new ATOM 0 HG23 ILE A 54 30.959 5.199 -9.272 1.00 0.00 H new ATOM 0 HD11 ILE A 54 29.069 8.157 -7.651 1.00 0.00 H new ATOM 0 HD12 ILE A 54 29.212 6.656 -8.597 1.00 0.00 H new ATOM 0 HD13 ILE A 54 30.274 6.929 -7.196 1.00 0.00 H new ATOM 554 N GLY A 55 34.978 8.199 -9.332 1.00 0.00 N ATOM 555 CA GLY A 55 35.943 9.272 -9.250 1.00 0.00 C ATOM 556 C GLY A 55 37.093 8.858 -10.107 1.00 0.00 C ATOM 557 O GLY A 55 37.021 7.835 -10.785 1.00 0.00 O ATOM 0 H GLY A 55 35.166 7.538 -10.085 1.00 0.00 H new ATOM 0 HA2 GLY A 55 35.513 10.211 -9.600 1.00 0.00 H new ATOM 0 HA3 GLY A 55 36.262 9.432 -8.220 1.00 0.00 H new ATOM 561 N ASN A 56 38.183 9.647 -10.104 1.00 0.00 N ATOM 562 CA ASN A 56 39.388 9.360 -10.871 1.00 0.00 C ATOM 563 C ASN A 56 40.620 8.946 -10.002 1.00 0.00 C ATOM 564 O ASN A 56 40.485 8.836 -8.755 1.00 0.00 O ATOM 565 CB ASN A 56 39.701 10.567 -11.814 1.00 0.00 C ATOM 566 CG ASN A 56 39.931 11.877 -11.051 1.00 0.00 C ATOM 567 OD1 ASN A 56 40.100 11.891 -9.831 1.00 0.00 O ATOM 568 ND2 ASN A 56 39.913 13.013 -11.794 1.00 0.00 N ATOM 569 OXT ASN A 56 41.695 8.708 -10.616 1.00 0.00 O ATOM 0 H ASN A 56 38.243 10.508 -9.560 1.00 0.00 H new ATOM 0 HA ASN A 56 39.185 8.474 -11.473 1.00 0.00 H new ATOM 0 HB2 ASN A 56 40.586 10.338 -12.407 1.00 0.00 H new ATOM 0 HB3 ASN A 56 38.875 10.700 -12.512 1.00 0.00 H new ATOM 0 HD21 ASN A 56 40.042 13.919 -11.344 1.00 0.00 H new ATOM 0 HD22 ASN A 56 39.770 12.961 -12.803 1.00 0.00 H new TER 576 ASN A 56