USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 516 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 61 SER OG : rot -95:sc= 0.251 USER MOD Set 1.2: A 68 GLN : amide:sc= 0 X(o=0.25,f=0.13) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 1 ASN N :NH3+ 147:sc= 0.0115 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= 0.656 (180deg=0.483) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot -36:sc= 0.0404 USER MOD Single : A 29 THR OG1 : rot 104:sc= 0.481 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot -85:sc= 0.51 USER MOD Single : A 41 LYS NZ :NH3+ -118:sc= -0.106 (180deg=-1.48!) USER MOD Single : A 43 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0105) USER MOD Single : A 48 ASN : amide:sc= -0.263 X(o=-0.26,f=-0.74) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ -138:sc= -0.0178 (180deg=-0.964) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 10.799 45.332 28.536 1.00 20.00 N ATOM 2 CA ASN A 1 11.933 44.408 28.351 1.00 20.00 C ATOM 3 C ASN A 1 12.263 43.664 29.648 1.00 20.00 C ATOM 4 O ASN A 1 12.148 44.221 30.741 1.00 20.00 O ATOM 5 CB ASN A 1 13.156 45.122 27.742 1.00 20.00 C ATOM 6 CG ASN A 1 13.580 46.416 28.446 1.00 20.00 C ATOM 7 OD1 ASN A 1 13.663 46.484 29.669 1.00 20.00 O ATOM 8 ND2 ASN A 1 13.872 47.456 27.667 1.00 20.00 N ATOM 0 H1 ASN A 1 10.928 46.166 27.928 1.00 20.00 H new ATOM 0 H2 ASN A 1 9.914 44.851 28.280 1.00 20.00 H new ATOM 0 H3 ASN A 1 10.754 45.632 29.531 1.00 20.00 H new ATOM 0 HA ASN A 1 11.632 43.651 27.627 1.00 20.00 H new ATOM 0 HB2 ASN A 1 13.999 44.431 27.749 1.00 20.00 H new ATOM 0 HB3 ASN A 1 12.940 45.350 26.698 1.00 20.00 H new ATOM 0 HD21 ASN A 1 14.173 48.337 28.084 1.00 20.00 H new ATOM 0 HD22 ASN A 1 13.794 47.372 26.653 1.00 20.00 H new ATOM 17 N GLU A 2 12.652 42.389 29.508 1.00 20.00 N ATOM 18 CA GLU A 2 12.958 41.482 30.614 1.00 20.00 C ATOM 19 C GLU A 2 14.385 40.950 30.522 1.00 20.00 C ATOM 20 O GLU A 2 15.081 40.916 31.533 1.00 20.00 O ATOM 21 CB GLU A 2 11.933 40.339 30.640 1.00 20.00 C ATOM 22 CG GLU A 2 12.002 39.529 31.942 1.00 20.00 C ATOM 23 CD GLU A 2 11.650 40.362 33.174 1.00 20.00 C ATOM 24 OE1 GLU A 2 10.448 40.652 33.357 1.00 20.00 O ATOM 25 OE2 GLU A 2 12.591 40.716 33.917 1.00 20.00 O ATOM 0 H GLU A 2 12.765 41.951 28.594 1.00 20.00 H new ATOM 0 HA GLU A 2 12.889 42.036 31.550 1.00 20.00 H new ATOM 0 HB2 GLU A 2 10.930 40.750 30.522 1.00 20.00 H new ATOM 0 HB3 GLU A 2 12.108 39.677 29.792 1.00 20.00 H new ATOM 0 HG2 GLU A 2 11.320 38.682 31.874 1.00 20.00 H new ATOM 0 HG3 GLU A 2 13.006 39.121 32.059 1.00 20.00 H new ATOM 32 N CYS A 3 14.832 40.566 29.320 1.00 20.00 N ATOM 33 CA CYS A 3 16.201 40.101 29.077 1.00 20.00 C ATOM 34 C CYS A 3 17.229 41.198 29.390 1.00 20.00 C ATOM 35 O CYS A 3 18.292 40.895 29.926 1.00 20.00 O ATOM 36 CB CYS A 3 16.323 39.604 27.631 1.00 20.00 C ATOM 37 SG CYS A 3 15.112 38.311 27.265 1.00 20.00 S ATOM 0 H CYS A 3 14.249 40.570 28.483 1.00 20.00 H new ATOM 0 HA CYS A 3 16.418 39.271 29.749 1.00 20.00 H new ATOM 0 HB2 CYS A 3 16.182 40.440 26.946 1.00 20.00 H new ATOM 0 HB3 CYS A 3 17.329 39.219 27.462 1.00 20.00 H new ATOM 42 N VAL A 4 16.884 42.468 29.126 1.00 20.00 N ATOM 43 CA VAL A 4 17.669 43.653 29.491 1.00 20.00 C ATOM 44 C VAL A 4 17.825 43.742 31.018 1.00 20.00 C ATOM 45 O VAL A 4 18.944 43.908 31.507 1.00 20.00 O ATOM 46 CB VAL A 4 17.000 44.917 28.908 1.00 20.00 C ATOM 47 CG1 VAL A 4 17.699 46.211 29.354 1.00 20.00 C ATOM 48 CG2 VAL A 4 16.993 44.883 27.371 1.00 20.00 C ATOM 0 H VAL A 4 16.021 42.704 28.636 1.00 20.00 H new ATOM 0 HA VAL A 4 18.670 43.573 29.067 1.00 20.00 H new ATOM 0 HB VAL A 4 15.980 44.915 29.291 1.00 20.00 H new ATOM 0 HG11 VAL A 4 17.189 47.069 28.916 1.00 20.00 H new ATOM 0 HG12 VAL A 4 17.667 46.286 30.441 1.00 20.00 H new ATOM 0 HG13 VAL A 4 18.737 46.197 29.021 1.00 20.00 H new ATOM 0 HG21 VAL A 4 16.516 45.786 26.989 1.00 20.00 H new ATOM 0 HG22 VAL A 4 18.018 44.831 27.004 1.00 20.00 H new ATOM 0 HG23 VAL A 4 16.440 44.008 27.029 1.00 20.00 H new ATOM 58 N SER A 5 16.709 43.617 31.755 1.00 20.00 N ATOM 59 CA SER A 5 16.655 43.695 33.211 1.00 20.00 C ATOM 60 C SER A 5 17.441 42.562 33.889 1.00 20.00 C ATOM 61 O SER A 5 18.021 42.772 34.956 1.00 20.00 O ATOM 62 CB SER A 5 15.183 43.655 33.647 1.00 20.00 C ATOM 63 OG SER A 5 15.057 43.955 35.022 1.00 20.00 O ATOM 0 H SER A 5 15.795 43.454 31.334 1.00 20.00 H new ATOM 0 HA SER A 5 17.124 44.629 33.523 1.00 20.00 H new ATOM 0 HB2 SER A 5 14.606 44.370 33.060 1.00 20.00 H new ATOM 0 HB3 SER A 5 14.767 42.668 33.446 1.00 20.00 H new ATOM 0 HG SER A 5 14.111 43.925 35.278 1.00 20.00 H new ATOM 69 N LYS A 6 17.468 41.372 33.269 1.00 20.00 N ATOM 70 CA LYS A 6 18.160 40.178 33.752 1.00 20.00 C ATOM 71 C LYS A 6 19.663 40.168 33.406 1.00 20.00 C ATOM 72 O LYS A 6 20.384 39.312 33.919 1.00 20.00 O ATOM 73 CB LYS A 6 17.463 38.930 33.179 1.00 20.00 C ATOM 74 CG LYS A 6 16.047 38.678 33.729 1.00 20.00 C ATOM 75 CD LYS A 6 16.062 38.063 35.138 1.00 20.00 C ATOM 76 CE LYS A 6 14.647 37.768 35.648 1.00 20.00 C ATOM 77 NZ LYS A 6 13.876 39.000 35.896 1.00 20.00 N ATOM 0 H LYS A 6 16.988 41.214 32.383 1.00 20.00 H new ATOM 0 HA LYS A 6 18.103 40.178 34.841 1.00 20.00 H new ATOM 0 HB2 LYS A 6 17.406 39.028 32.095 1.00 20.00 H new ATOM 0 HB3 LYS A 6 18.081 38.057 33.388 1.00 20.00 H new ATOM 0 HG2 LYS A 6 15.498 39.619 33.753 1.00 20.00 H new ATOM 0 HG3 LYS A 6 15.511 38.013 33.052 1.00 20.00 H new ATOM 0 HD2 LYS A 6 16.643 37.141 35.125 1.00 20.00 H new ATOM 0 HD3 LYS A 6 16.561 38.745 35.826 1.00 20.00 H new ATOM 0 HE2 LYS A 6 14.121 37.153 34.918 1.00 20.00 H new ATOM 0 HE3 LYS A 6 14.708 37.188 36.569 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 13.056 38.781 36.497 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 14.481 39.697 36.376 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 13.547 39.392 34.991 1.00 20.00 H new ATOM 91 N GLY A 7 20.147 41.116 32.585 1.00 20.00 N ATOM 92 CA GLY A 7 21.567 41.312 32.289 1.00 20.00 C ATOM 93 C GLY A 7 22.047 40.638 30.996 1.00 20.00 C ATOM 94 O GLY A 7 23.253 40.484 30.811 1.00 20.00 O ATOM 0 H GLY A 7 19.543 41.780 32.100 1.00 20.00 H new ATOM 0 HA2 GLY A 7 21.767 42.381 32.222 1.00 20.00 H new ATOM 0 HA3 GLY A 7 22.155 40.929 33.123 1.00 20.00 H new ATOM 98 N PHE A 8 21.123 40.224 30.120 1.00 20.00 N ATOM 99 CA PHE A 8 21.382 39.527 28.861 1.00 20.00 C ATOM 100 C PHE A 8 21.310 40.482 27.657 1.00 20.00 C ATOM 101 O PHE A 8 21.117 41.689 27.820 1.00 20.00 O ATOM 102 CB PHE A 8 20.380 38.369 28.730 1.00 20.00 C ATOM 103 CG PHE A 8 20.357 37.419 29.914 1.00 20.00 C ATOM 104 CD1 PHE A 8 19.149 37.161 30.589 1.00 20.00 C ATOM 105 CD2 PHE A 8 21.541 36.788 30.342 1.00 20.00 C ATOM 106 CE1 PHE A 8 19.120 36.252 31.661 1.00 20.00 C ATOM 107 CE2 PHE A 8 21.513 35.892 31.425 1.00 20.00 C ATOM 108 CZ PHE A 8 20.300 35.620 32.082 1.00 20.00 C ATOM 0 H PHE A 8 20.127 40.375 30.281 1.00 20.00 H new ATOM 0 HA PHE A 8 22.397 39.129 28.869 1.00 20.00 H new ATOM 0 HB2 PHE A 8 19.381 38.783 28.593 1.00 20.00 H new ATOM 0 HB3 PHE A 8 20.616 37.802 27.830 1.00 20.00 H new ATOM 0 HD1 PHE A 8 18.243 37.662 30.283 1.00 20.00 H new ATOM 0 HD2 PHE A 8 22.473 36.993 29.837 1.00 20.00 H new ATOM 0 HE1 PHE A 8 18.187 36.040 32.162 1.00 20.00 H new ATOM 0 HE2 PHE A 8 22.424 35.412 31.752 1.00 20.00 H new ATOM 0 HZ PHE A 8 20.277 34.926 32.909 1.00 20.00 H new ATOM 118 N GLY A 9 21.483 39.934 26.444 1.00 20.00 N ATOM 119 CA GLY A 9 21.467 40.665 25.176 1.00 20.00 C ATOM 120 C GLY A 9 20.423 40.119 24.197 1.00 20.00 C ATOM 121 O GLY A 9 19.853 39.048 24.414 1.00 20.00 O ATOM 0 H GLY A 9 21.643 38.934 26.319 1.00 20.00 H new ATOM 0 HA2 GLY A 9 21.263 41.718 25.370 1.00 20.00 H new ATOM 0 HA3 GLY A 9 22.454 40.611 24.717 1.00 20.00 H new ATOM 125 N CYS A 10 20.209 40.865 23.102 1.00 20.00 N ATOM 126 CA CYS A 10 19.272 40.533 22.032 1.00 20.00 C ATOM 127 C CYS A 10 20.041 40.243 20.739 1.00 20.00 C ATOM 128 O CYS A 10 20.124 41.094 19.850 1.00 20.00 O ATOM 129 CB CYS A 10 18.233 41.647 21.831 1.00 20.00 C ATOM 130 SG CYS A 10 17.210 42.064 23.261 1.00 20.00 S ATOM 0 H CYS A 10 20.702 41.743 22.937 1.00 20.00 H new ATOM 0 HA CYS A 10 18.723 39.636 22.317 1.00 20.00 H new ATOM 0 HB2 CYS A 10 18.757 42.548 21.512 1.00 20.00 H new ATOM 0 HB3 CYS A 10 17.574 41.355 21.014 1.00 20.00 H new ATOM 135 N LEU A 11 20.607 39.034 20.640 1.00 20.00 N ATOM 136 CA LEU A 11 21.252 38.531 19.429 1.00 20.00 C ATOM 137 C LEU A 11 20.178 38.019 18.449 1.00 20.00 C ATOM 138 O LEU A 11 19.092 37.635 18.884 1.00 20.00 O ATOM 139 CB LEU A 11 22.238 37.399 19.795 1.00 20.00 C ATOM 140 CG LEU A 11 23.622 37.835 20.324 1.00 20.00 C ATOM 141 CD1 LEU A 11 24.433 38.618 19.280 1.00 20.00 C ATOM 142 CD2 LEU A 11 23.538 38.642 21.626 1.00 20.00 C ATOM 0 H LEU A 11 20.628 38.370 21.414 1.00 20.00 H new ATOM 0 HA LEU A 11 21.810 39.335 18.949 1.00 20.00 H new ATOM 0 HB2 LEU A 11 21.768 36.768 20.549 1.00 20.00 H new ATOM 0 HB3 LEU A 11 22.390 36.780 18.911 1.00 20.00 H new ATOM 0 HG LEU A 11 24.145 36.903 20.538 1.00 20.00 H new ATOM 0 HD11 LEU A 11 25.397 38.900 19.704 1.00 20.00 H new ATOM 0 HD12 LEU A 11 24.592 37.994 18.400 1.00 20.00 H new ATOM 0 HD13 LEU A 11 23.886 39.516 18.993 1.00 20.00 H new ATOM 0 HD21 LEU A 11 24.542 38.919 21.948 1.00 20.00 H new ATOM 0 HD22 LEU A 11 22.949 39.543 21.458 1.00 20.00 H new ATOM 0 HD23 LEU A 11 23.064 38.037 22.399 1.00 20.00 H new ATOM 154 N PRO A 12 20.465 37.955 17.133 1.00 20.00 N ATOM 155 CA PRO A 12 19.575 37.327 16.159 1.00 20.00 C ATOM 156 C PRO A 12 19.551 35.805 16.349 1.00 20.00 C ATOM 157 O PRO A 12 20.457 35.229 16.951 1.00 20.00 O ATOM 158 CB PRO A 12 20.126 37.737 14.790 1.00 20.00 C ATOM 159 CG PRO A 12 21.622 37.915 15.048 1.00 20.00 C ATOM 160 CD PRO A 12 21.674 38.442 16.484 1.00 20.00 C ATOM 0 HA PRO A 12 18.539 37.647 16.271 1.00 20.00 H new ATOM 0 HB2 PRO A 12 19.937 36.973 14.036 1.00 20.00 H new ATOM 0 HB3 PRO A 12 19.668 38.659 14.432 1.00 20.00 H new ATOM 0 HG2 PRO A 12 22.162 36.974 14.946 1.00 20.00 H new ATOM 0 HG3 PRO A 12 22.070 38.618 14.346 1.00 20.00 H new ATOM 0 HD2 PRO A 12 22.565 38.084 16.999 1.00 20.00 H new ATOM 0 HD3 PRO A 12 21.713 39.531 16.499 1.00 20.00 H new ATOM 168 N GLN A 13 18.519 35.151 15.800 1.00 20.00 N ATOM 169 CA GLN A 13 18.368 33.694 15.826 1.00 20.00 C ATOM 170 C GLN A 13 19.499 33.003 15.039 1.00 20.00 C ATOM 171 O GLN A 13 19.907 31.902 15.404 1.00 20.00 O ATOM 172 CB GLN A 13 16.998 33.311 15.241 1.00 20.00 C ATOM 173 CG GLN A 13 15.832 33.757 16.137 1.00 20.00 C ATOM 174 CD GLN A 13 14.485 33.571 15.443 1.00 20.00 C ATOM 175 OE1 GLN A 13 13.786 32.589 15.676 1.00 20.00 O ATOM 176 NE2 GLN A 13 14.113 34.518 14.583 1.00 20.00 N ATOM 0 H GLN A 13 17.756 35.628 15.319 1.00 20.00 H new ATOM 0 HA GLN A 13 18.429 33.356 16.860 1.00 20.00 H new ATOM 0 HB2 GLN A 13 16.888 33.763 14.255 1.00 20.00 H new ATOM 0 HB3 GLN A 13 16.954 32.231 15.103 1.00 20.00 H new ATOM 0 HG2 GLN A 13 15.846 33.185 17.064 1.00 20.00 H new ATOM 0 HG3 GLN A 13 15.961 34.805 16.407 1.00 20.00 H new ATOM 0 HE21 GLN A 13 14.720 35.320 14.414 1.00 20.00 H new ATOM 0 HE22 GLN A 13 13.222 34.441 14.093 1.00 20.00 H new ATOM 185 N SER A 14 20.042 33.662 14.001 1.00 20.00 N ATOM 186 CA SER A 14 21.183 33.188 13.223 1.00 20.00 C ATOM 187 C SER A 14 22.461 33.057 14.070 1.00 20.00 C ATOM 188 O SER A 14 23.234 32.123 13.852 1.00 20.00 O ATOM 189 CB SER A 14 21.397 34.152 12.055 1.00 20.00 C ATOM 190 OG SER A 14 22.474 33.740 11.239 1.00 20.00 O ATOM 0 H SER A 14 19.685 34.561 13.677 1.00 20.00 H new ATOM 0 HA SER A 14 20.965 32.186 12.855 1.00 20.00 H new ATOM 0 HB2 SER A 14 20.487 34.210 11.458 1.00 20.00 H new ATOM 0 HB3 SER A 14 21.591 35.154 12.439 1.00 20.00 H new ATOM 0 HG SER A 14 22.586 34.374 10.500 1.00 20.00 H new ATOM 196 N ASP A 15 22.676 33.965 15.034 1.00 20.00 N ATOM 197 CA ASP A 15 23.835 33.953 15.921 1.00 20.00 C ATOM 198 C ASP A 15 23.580 33.069 17.149 1.00 20.00 C ATOM 199 O ASP A 15 24.342 32.132 17.385 1.00 20.00 O ATOM 200 CB ASP A 15 24.190 35.388 16.324 1.00 20.00 C ATOM 201 CG ASP A 15 25.466 35.436 17.163 1.00 20.00 C ATOM 202 OD1 ASP A 15 26.557 35.523 16.556 1.00 20.00 O ATOM 203 OD2 ASP A 15 25.342 35.376 18.405 1.00 20.00 O ATOM 0 H ASP A 15 22.036 34.738 15.217 1.00 20.00 H new ATOM 0 HA ASP A 15 24.684 33.523 15.390 1.00 20.00 H new ATOM 0 HB2 ASP A 15 24.319 35.997 15.429 1.00 20.00 H new ATOM 0 HB3 ASP A 15 23.365 35.823 16.889 1.00 20.00 H new ATOM 208 N CYS A 16 22.530 33.373 17.928 1.00 20.00 N ATOM 209 CA CYS A 16 22.190 32.696 19.171 1.00 20.00 C ATOM 210 C CYS A 16 21.747 31.243 18.905 1.00 20.00 C ATOM 211 O CYS A 16 20.736 31.041 18.224 1.00 20.00 O ATOM 212 CB CYS A 16 21.078 33.464 19.894 1.00 20.00 C ATOM 213 SG CYS A 16 20.760 32.851 21.571 1.00 20.00 S ATOM 0 H CYS A 16 21.879 34.122 17.695 1.00 20.00 H new ATOM 0 HA CYS A 16 23.078 32.669 19.803 1.00 20.00 H new ATOM 0 HB2 CYS A 16 21.348 34.519 19.945 1.00 20.00 H new ATOM 0 HB3 CYS A 16 20.160 33.397 19.310 1.00 20.00 H new ATOM 218 N PRO A 17 22.460 30.228 19.438 1.00 20.00 N ATOM 219 CA PRO A 17 22.080 28.826 19.306 1.00 20.00 C ATOM 220 C PRO A 17 20.840 28.512 20.161 1.00 20.00 C ATOM 221 O PRO A 17 20.492 29.266 21.069 1.00 20.00 O ATOM 222 CB PRO A 17 23.320 28.049 19.752 1.00 20.00 C ATOM 223 CG PRO A 17 23.920 28.950 20.829 1.00 20.00 C ATOM 224 CD PRO A 17 23.650 30.346 20.269 1.00 20.00 C ATOM 0 HA PRO A 17 21.793 28.556 18.290 1.00 20.00 H new ATOM 0 HB2 PRO A 17 23.061 27.066 20.146 1.00 20.00 H new ATOM 0 HB3 PRO A 17 24.014 27.888 18.927 1.00 20.00 H new ATOM 0 HG2 PRO A 17 23.443 28.800 21.797 1.00 20.00 H new ATOM 0 HG3 PRO A 17 24.985 28.766 20.967 1.00 20.00 H new ATOM 0 HD2 PRO A 17 23.493 31.064 21.074 1.00 20.00 H new ATOM 0 HD3 PRO A 17 24.499 30.702 19.685 1.00 20.00 H new ATOM 232 N GLN A 18 20.170 27.390 19.863 1.00 20.00 N ATOM 233 CA GLN A 18 18.826 27.067 20.363 1.00 20.00 C ATOM 234 C GLN A 18 18.805 26.666 21.848 1.00 20.00 C ATOM 235 O GLN A 18 17.745 26.663 22.471 1.00 20.00 O ATOM 236 CB GLN A 18 18.221 25.946 19.498 1.00 20.00 C ATOM 237 CG GLN A 18 17.881 26.433 18.083 1.00 20.00 C ATOM 238 CD GLN A 18 17.381 25.299 17.187 1.00 20.00 C ATOM 239 OE1 GLN A 18 16.418 24.612 17.518 1.00 20.00 O ATOM 240 NE2 GLN A 18 18.020 25.102 16.036 1.00 20.00 N ATOM 0 H GLN A 18 20.555 26.667 19.255 1.00 20.00 H new ATOM 0 HA GLN A 18 18.227 27.974 20.288 1.00 20.00 H new ATOM 0 HB2 GLN A 18 18.924 25.116 19.437 1.00 20.00 H new ATOM 0 HB3 GLN A 18 17.319 25.565 19.977 1.00 20.00 H new ATOM 0 HG2 GLN A 18 17.119 27.211 18.141 1.00 20.00 H new ATOM 0 HG3 GLN A 18 18.765 26.886 17.634 1.00 20.00 H new ATOM 0 HE21 GLN A 18 18.817 25.689 15.788 1.00 20.00 H new ATOM 0 HE22 GLN A 18 17.713 24.364 15.402 1.00 20.00 H new ATOM 249 N GLU A 19 19.982 26.366 22.404 1.00 20.00 N ATOM 250 CA GLU A 19 20.267 26.051 23.800 1.00 20.00 C ATOM 251 C GLU A 19 20.204 27.292 24.700 1.00 20.00 C ATOM 252 O GLU A 19 19.806 27.193 25.861 1.00 20.00 O ATOM 253 CB GLU A 19 21.662 25.405 23.895 1.00 20.00 C ATOM 254 CG GLU A 19 22.759 26.098 23.062 1.00 20.00 C ATOM 255 CD GLU A 19 24.136 25.461 23.256 1.00 20.00 C ATOM 256 OE1 GLU A 19 24.591 25.401 24.419 1.00 20.00 O ATOM 257 OE2 GLU A 19 24.739 25.059 22.236 1.00 20.00 O ATOM 0 H GLU A 19 20.830 26.336 21.838 1.00 20.00 H new ATOM 0 HA GLU A 19 19.502 25.359 24.153 1.00 20.00 H new ATOM 0 HB2 GLU A 19 21.971 25.396 24.940 1.00 20.00 H new ATOM 0 HB3 GLU A 19 21.587 24.365 23.576 1.00 20.00 H new ATOM 0 HG2 GLU A 19 22.489 26.057 22.007 1.00 20.00 H new ATOM 0 HG3 GLU A 19 22.808 27.151 23.337 1.00 20.00 H new ATOM 264 N ALA A 20 20.605 28.445 24.156 1.00 20.00 N ATOM 265 CA ALA A 20 20.761 29.716 24.851 1.00 20.00 C ATOM 266 C ALA A 20 19.548 30.650 24.730 1.00 20.00 C ATOM 267 O ALA A 20 19.518 31.689 25.389 1.00 20.00 O ATOM 268 CB ALA A 20 22.014 30.383 24.290 1.00 20.00 C ATOM 0 H ALA A 20 20.841 28.515 23.166 1.00 20.00 H new ATOM 0 HA ALA A 20 20.849 29.516 25.919 1.00 20.00 H new ATOM 0 HB1 ALA A 20 22.169 31.342 24.785 1.00 20.00 H new ATOM 0 HB2 ALA A 20 22.877 29.741 24.465 1.00 20.00 H new ATOM 0 HB3 ALA A 20 21.892 30.543 23.219 1.00 20.00 H new ATOM 274 N ARG A 21 18.548 30.284 23.915 1.00 20.00 N ATOM 275 CA ARG A 21 17.312 31.049 23.738 1.00 20.00 C ATOM 276 C ARG A 21 16.433 30.944 24.991 1.00 20.00 C ATOM 277 O ARG A 21 15.818 29.906 25.237 1.00 20.00 O ATOM 278 CB ARG A 21 16.560 30.571 22.487 1.00 20.00 C ATOM 279 CG ARG A 21 17.352 30.874 21.209 1.00 20.00 C ATOM 280 CD ARG A 21 16.630 30.336 19.973 1.00 20.00 C ATOM 281 NE ARG A 21 17.508 30.366 18.797 1.00 20.00 N ATOM 282 CZ ARG A 21 17.155 30.013 17.554 1.00 20.00 C ATOM 283 NH1 ARG A 21 15.902 29.673 17.243 1.00 20.00 N ATOM 284 NH2 ARG A 21 18.075 29.992 16.594 1.00 20.00 N ATOM 0 H ARG A 21 18.579 29.434 23.353 1.00 20.00 H new ATOM 0 HA ARG A 21 17.566 32.099 23.595 1.00 20.00 H new ATOM 0 HB2 ARG A 21 16.377 29.499 22.558 1.00 20.00 H new ATOM 0 HB3 ARG A 21 15.586 31.058 22.438 1.00 20.00 H new ATOM 0 HG2 ARG A 21 17.493 31.950 21.112 1.00 20.00 H new ATOM 0 HG3 ARG A 21 18.344 30.427 21.278 1.00 20.00 H new ATOM 0 HD2 ARG A 21 16.298 29.314 20.157 1.00 20.00 H new ATOM 0 HD3 ARG A 21 15.738 30.932 19.781 1.00 20.00 H new ATOM 0 HE ARG A 21 18.467 30.682 18.938 1.00 20.00 H new ATOM 0 HH11 ARG A 21 15.179 29.677 17.962 1.00 20.00 H new ATOM 0 HH12 ARG A 21 15.668 29.409 16.286 1.00 20.00 H new ATOM 0 HH21 ARG A 21 19.040 30.243 16.807 1.00 20.00 H new ATOM 0 HH22 ARG A 21 17.815 29.724 15.645 1.00 20.00 H new ATOM 298 N LEU A 22 16.390 32.030 25.777 1.00 20.00 N ATOM 299 CA LEU A 22 15.575 32.172 26.984 1.00 20.00 C ATOM 300 C LEU A 22 14.074 32.254 26.654 1.00 20.00 C ATOM 301 O LEU A 22 13.681 32.417 25.496 1.00 20.00 O ATOM 302 CB LEU A 22 16.025 33.434 27.745 1.00 20.00 C ATOM 303 CG LEU A 22 17.440 33.335 28.351 1.00 20.00 C ATOM 304 CD1 LEU A 22 17.937 34.740 28.693 1.00 20.00 C ATOM 305 CD2 LEU A 22 17.457 32.460 29.613 1.00 20.00 C ATOM 0 H LEU A 22 16.944 32.863 25.578 1.00 20.00 H new ATOM 0 HA LEU A 22 15.719 31.288 27.606 1.00 20.00 H new ATOM 0 HB2 LEU A 22 15.991 34.286 27.066 1.00 20.00 H new ATOM 0 HB3 LEU A 22 15.313 33.636 28.545 1.00 20.00 H new ATOM 0 HG LEU A 22 18.095 32.869 27.615 1.00 20.00 H new ATOM 0 HD11 LEU A 22 18.937 34.678 29.122 1.00 20.00 H new ATOM 0 HD12 LEU A 22 17.968 35.346 27.787 1.00 20.00 H new ATOM 0 HD13 LEU A 22 17.261 35.200 29.414 1.00 20.00 H new ATOM 0 HD21 LEU A 22 18.471 32.415 30.011 1.00 20.00 H new ATOM 0 HD22 LEU A 22 16.792 32.889 30.362 1.00 20.00 H new ATOM 0 HD23 LEU A 22 17.120 31.454 29.363 1.00 20.00 H new ATOM 317 N SER A 23 13.238 32.164 27.699 1.00 20.00 N ATOM 318 CA SER A 23 11.776 32.233 27.609 1.00 20.00 C ATOM 319 C SER A 23 11.234 33.657 27.832 1.00 20.00 C ATOM 320 O SER A 23 10.094 33.941 27.467 1.00 20.00 O ATOM 321 CB SER A 23 11.159 31.245 28.608 1.00 20.00 C ATOM 322 OG SER A 23 9.771 31.115 28.397 1.00 20.00 O ATOM 0 H SER A 23 13.571 32.038 28.655 1.00 20.00 H new ATOM 0 HA SER A 23 11.489 31.956 26.595 1.00 20.00 H new ATOM 0 HB2 SER A 23 11.639 30.272 28.506 1.00 20.00 H new ATOM 0 HB3 SER A 23 11.345 31.587 29.626 1.00 20.00 H new ATOM 0 HG SER A 23 9.400 30.479 29.044 1.00 20.00 H new ATOM 328 N TYR A 24 12.059 34.567 28.370 1.00 20.00 N ATOM 329 CA TYR A 24 11.793 35.997 28.481 1.00 20.00 C ATOM 330 C TYR A 24 11.663 36.657 27.093 1.00 20.00 C ATOM 331 O TYR A 24 11.980 36.045 26.070 1.00 20.00 O ATOM 332 CB TYR A 24 12.970 36.619 29.237 1.00 20.00 C ATOM 333 CG TYR A 24 13.324 36.046 30.594 1.00 20.00 C ATOM 334 CD1 TYR A 24 14.667 35.714 30.847 1.00 20.00 C ATOM 335 CD2 TYR A 24 12.355 35.857 31.597 1.00 20.00 C ATOM 336 CE1 TYR A 24 15.050 35.153 32.073 1.00 20.00 C ATOM 337 CE2 TYR A 24 12.730 35.316 32.841 1.00 20.00 C ATOM 338 CZ TYR A 24 14.079 34.954 33.080 1.00 20.00 C ATOM 339 OH TYR A 24 14.443 34.397 34.269 1.00 20.00 O ATOM 0 H TYR A 24 12.968 34.309 28.755 1.00 20.00 H new ATOM 0 HA TYR A 24 10.851 36.156 29.005 1.00 20.00 H new ATOM 0 HB2 TYR A 24 13.853 36.544 28.602 1.00 20.00 H new ATOM 0 HB3 TYR A 24 12.760 37.681 29.367 1.00 20.00 H new ATOM 0 HD1 TYR A 24 15.413 35.894 30.087 1.00 20.00 H new ATOM 0 HD2 TYR A 24 11.326 36.127 31.412 1.00 20.00 H new ATOM 0 HE1 TYR A 24 16.079 34.875 32.247 1.00 20.00 H new ATOM 0 HE2 TYR A 24 11.989 35.177 33.614 1.00 20.00 H new ATOM 0 HH TYR A 24 13.659 34.330 34.853 1.00 20.00 H new ATOM 349 N GLY A 25 11.228 37.925 27.064 1.00 20.00 N ATOM 350 CA GLY A 25 10.982 38.679 25.838 1.00 20.00 C ATOM 351 C GLY A 25 11.269 40.177 25.972 1.00 20.00 C ATOM 352 O GLY A 25 11.709 40.660 27.017 1.00 20.00 O ATOM 0 H GLY A 25 11.035 38.460 27.911 1.00 20.00 H new ATOM 0 HA2 GLY A 25 11.600 38.269 25.039 1.00 20.00 H new ATOM 0 HA3 GLY A 25 9.943 38.542 25.539 1.00 20.00 H new ATOM 356 N GLY A 26 11.023 40.894 24.867 1.00 20.00 N ATOM 357 CA GLY A 26 11.205 42.336 24.704 1.00 20.00 C ATOM 358 C GLY A 26 12.206 42.710 23.600 1.00 20.00 C ATOM 359 O GLY A 26 12.250 43.874 23.201 1.00 20.00 O ATOM 0 H GLY A 26 10.672 40.454 24.016 1.00 20.00 H new ATOM 0 HA2 GLY A 26 10.241 42.792 24.478 1.00 20.00 H new ATOM 0 HA3 GLY A 26 11.544 42.760 25.649 1.00 20.00 H new ATOM 363 N CYS A 27 12.992 41.740 23.103 1.00 20.00 N ATOM 364 CA CYS A 27 13.984 41.909 22.041 1.00 20.00 C ATOM 365 C CYS A 27 13.350 42.180 20.668 1.00 20.00 C ATOM 366 O CYS A 27 12.128 42.157 20.513 1.00 20.00 O ATOM 367 CB CYS A 27 14.862 40.653 21.990 1.00 20.00 C ATOM 368 SG CYS A 27 15.984 40.459 23.396 1.00 20.00 S ATOM 0 H CYS A 27 12.948 40.781 23.447 1.00 20.00 H new ATOM 0 HA CYS A 27 14.585 42.788 22.274 1.00 20.00 H new ATOM 0 HB2 CYS A 27 14.216 39.777 21.934 1.00 20.00 H new ATOM 0 HB3 CYS A 27 15.451 40.674 21.073 1.00 20.00 H new ATOM 373 N SER A 28 14.205 42.422 19.661 1.00 20.00 N ATOM 374 CA SER A 28 13.786 42.627 18.271 1.00 20.00 C ATOM 375 C SER A 28 13.757 41.298 17.501 1.00 20.00 C ATOM 376 O SER A 28 13.148 41.218 16.433 1.00 20.00 O ATOM 377 CB SER A 28 14.741 43.624 17.600 1.00 20.00 C ATOM 378 OG SER A 28 14.241 44.057 16.352 1.00 20.00 O ATOM 0 H SER A 28 15.215 42.481 19.793 1.00 20.00 H new ATOM 0 HA SER A 28 12.774 43.032 18.260 1.00 20.00 H new ATOM 0 HB2 SER A 28 14.889 44.484 18.253 1.00 20.00 H new ATOM 0 HB3 SER A 28 15.717 43.158 17.461 1.00 20.00 H new ATOM 0 HG SER A 28 13.783 43.314 15.907 1.00 20.00 H new ATOM 384 N THR A 29 14.398 40.259 18.057 1.00 20.00 N ATOM 385 CA THR A 29 14.549 38.935 17.472 1.00 20.00 C ATOM 386 C THR A 29 14.326 37.868 18.548 1.00 20.00 C ATOM 387 O THR A 29 13.277 37.228 18.568 1.00 20.00 O ATOM 388 CB THR A 29 15.922 38.795 16.773 1.00 20.00 C ATOM 389 OG1 THR A 29 16.988 39.239 17.594 1.00 20.00 O ATOM 390 CG2 THR A 29 15.981 39.596 15.470 1.00 20.00 C ATOM 0 H THR A 29 14.844 40.332 18.971 1.00 20.00 H new ATOM 0 HA THR A 29 13.794 38.790 16.700 1.00 20.00 H new ATOM 0 HB THR A 29 16.033 37.731 16.566 1.00 20.00 H new ATOM 0 HG1 THR A 29 17.467 38.464 17.955 1.00 20.00 H new ATOM 0 HG21 THR A 29 16.961 39.471 15.010 1.00 20.00 H new ATOM 0 HG22 THR A 29 15.211 39.237 14.787 1.00 20.00 H new ATOM 0 HG23 THR A 29 15.812 40.651 15.684 1.00 20.00 H new ATOM 398 N VAL A 30 15.308 37.684 19.439 1.00 20.00 N ATOM 399 CA VAL A 30 15.343 36.667 20.489 1.00 20.00 C ATOM 400 C VAL A 30 16.387 37.083 21.537 1.00 20.00 C ATOM 401 O VAL A 30 17.263 37.898 21.247 1.00 20.00 O ATOM 402 CB VAL A 30 15.639 35.277 19.855 1.00 20.00 C ATOM 403 CG1 VAL A 30 17.069 35.129 19.310 1.00 20.00 C ATOM 404 CG2 VAL A 30 15.338 34.112 20.805 1.00 20.00 C ATOM 0 H VAL A 30 16.141 38.273 19.444 1.00 20.00 H new ATOM 0 HA VAL A 30 14.381 36.584 20.994 1.00 20.00 H new ATOM 0 HB VAL A 30 14.955 35.230 19.008 1.00 20.00 H new ATOM 0 HG11 VAL A 30 17.195 34.133 18.885 1.00 20.00 H new ATOM 0 HG12 VAL A 30 17.243 35.878 18.537 1.00 20.00 H new ATOM 0 HG13 VAL A 30 17.784 35.271 20.121 1.00 20.00 H new ATOM 0 HG21 VAL A 30 15.564 33.169 20.307 1.00 20.00 H new ATOM 0 HG22 VAL A 30 15.952 34.205 21.701 1.00 20.00 H new ATOM 0 HG23 VAL A 30 14.284 34.132 21.083 1.00 20.00 H new ATOM 414 N CYS A 31 16.305 36.514 22.747 1.00 20.00 N ATOM 415 CA CYS A 31 17.301 36.710 23.798 1.00 20.00 C ATOM 416 C CYS A 31 18.377 35.618 23.745 1.00 20.00 C ATOM 417 O CYS A 31 18.169 34.555 23.158 1.00 20.00 O ATOM 418 CB CYS A 31 16.613 36.719 25.167 1.00 20.00 C ATOM 419 SG CYS A 31 15.254 37.905 25.291 1.00 20.00 S ATOM 0 H CYS A 31 15.538 35.901 23.022 1.00 20.00 H new ATOM 0 HA CYS A 31 17.792 37.670 23.638 1.00 20.00 H new ATOM 0 HB2 CYS A 31 16.232 35.720 25.379 1.00 20.00 H new ATOM 0 HB3 CYS A 31 17.353 36.947 25.934 1.00 20.00 H new ATOM 424 N CYS A 32 19.518 35.874 24.398 1.00 20.00 N ATOM 425 CA CYS A 32 20.630 34.934 24.498 1.00 20.00 C ATOM 426 C CYS A 32 21.327 35.113 25.851 1.00 20.00 C ATOM 427 O CYS A 32 21.789 36.214 26.153 1.00 20.00 O ATOM 428 CB CYS A 32 21.597 35.153 23.323 1.00 20.00 C ATOM 429 SG CYS A 32 22.301 33.620 22.667 1.00 20.00 S ATOM 0 H CYS A 32 19.692 36.757 24.878 1.00 20.00 H new ATOM 0 HA CYS A 32 20.265 33.909 24.441 1.00 20.00 H new ATOM 0 HB2 CYS A 32 21.071 35.673 22.522 1.00 20.00 H new ATOM 0 HB3 CYS A 32 22.408 35.805 23.648 1.00 20.00 H new ATOM 434 N ASP A 33 21.384 34.044 26.664 1.00 20.00 N ATOM 435 CA ASP A 33 22.051 34.043 27.969 1.00 20.00 C ATOM 436 C ASP A 33 23.581 34.107 27.822 1.00 20.00 C ATOM 437 O ASP A 33 24.260 33.089 27.683 1.00 20.00 O ATOM 438 CB ASP A 33 21.571 32.885 28.871 1.00 20.00 C ATOM 439 CG ASP A 33 21.355 31.534 28.180 1.00 20.00 C ATOM 440 OD1 ASP A 33 20.260 30.965 28.380 1.00 20.00 O ATOM 441 OD2 ASP A 33 22.279 31.061 27.486 1.00 20.00 O ATOM 0 H ASP A 33 20.961 33.147 26.426 1.00 20.00 H new ATOM 0 HA ASP A 33 21.756 34.955 28.487 1.00 20.00 H new ATOM 0 HB2 ASP A 33 22.300 32.748 29.670 1.00 20.00 H new ATOM 0 HB3 ASP A 33 20.634 33.183 29.341 1.00 20.00 H new ATOM 446 N LEU A 34 24.120 35.335 27.849 1.00 20.00 N ATOM 447 CA LEU A 34 25.533 35.633 27.614 1.00 20.00 C ATOM 448 C LEU A 34 26.451 35.017 28.686 1.00 20.00 C ATOM 449 O LEU A 34 27.587 34.655 28.376 1.00 20.00 O ATOM 450 CB LEU A 34 25.746 37.161 27.553 1.00 20.00 C ATOM 451 CG LEU A 34 24.801 37.951 26.619 1.00 20.00 C ATOM 452 CD1 LEU A 34 25.174 39.441 26.661 1.00 20.00 C ATOM 453 CD2 LEU A 34 24.842 37.454 25.166 1.00 20.00 C ATOM 0 H LEU A 34 23.565 36.169 28.041 1.00 20.00 H new ATOM 0 HA LEU A 34 25.804 35.182 26.659 1.00 20.00 H new ATOM 0 HB2 LEU A 34 25.642 37.561 28.562 1.00 20.00 H new ATOM 0 HB3 LEU A 34 26.773 37.350 27.240 1.00 20.00 H new ATOM 0 HG LEU A 34 23.785 37.795 26.982 1.00 20.00 H new ATOM 0 HD11 LEU A 34 24.509 40.001 26.003 1.00 20.00 H new ATOM 0 HD12 LEU A 34 25.073 39.813 27.681 1.00 20.00 H new ATOM 0 HD13 LEU A 34 26.204 39.568 26.329 1.00 20.00 H new ATOM 0 HD21 LEU A 34 24.158 38.047 24.559 1.00 20.00 H new ATOM 0 HD22 LEU A 34 25.855 37.555 24.775 1.00 20.00 H new ATOM 0 HD23 LEU A 34 24.543 36.407 25.131 1.00 20.00 H new ATOM 465 N SER A 35 25.951 34.869 29.926 1.00 20.00 N ATOM 466 CA SER A 35 26.641 34.260 31.063 1.00 20.00 C ATOM 467 C SER A 35 26.802 32.735 30.938 1.00 20.00 C ATOM 468 O SER A 35 27.493 32.137 31.765 1.00 20.00 O ATOM 469 CB SER A 35 25.875 34.590 32.350 1.00 20.00 C ATOM 470 OG SER A 35 24.570 34.048 32.305 1.00 20.00 O ATOM 0 H SER A 35 25.012 35.187 30.167 1.00 20.00 H new ATOM 0 HA SER A 35 27.648 34.678 31.085 1.00 20.00 H new ATOM 0 HB2 SER A 35 26.411 34.191 33.211 1.00 20.00 H new ATOM 0 HB3 SER A 35 25.821 35.671 32.481 1.00 20.00 H new ATOM 0 HG SER A 35 24.096 34.267 33.134 1.00 20.00 H new ATOM 476 N LYS A 36 26.178 32.113 29.923 1.00 20.00 N ATOM 477 CA LYS A 36 26.217 30.671 29.658 1.00 20.00 C ATOM 478 C LYS A 36 26.726 30.337 28.248 1.00 20.00 C ATOM 479 O LYS A 36 26.821 29.165 27.882 1.00 20.00 O ATOM 480 CB LYS A 36 24.845 30.034 29.932 1.00 20.00 C ATOM 481 CG LYS A 36 24.258 30.420 31.301 1.00 20.00 C ATOM 482 CD LYS A 36 23.108 29.490 31.703 1.00 20.00 C ATOM 483 CE LYS A 36 22.515 29.948 33.033 1.00 20.00 C ATOM 484 NZ LYS A 36 21.459 29.033 33.503 1.00 20.00 N ATOM 0 H LYS A 36 25.614 32.622 29.243 1.00 20.00 H new ATOM 0 HA LYS A 36 26.942 30.238 30.347 1.00 20.00 H new ATOM 0 HB2 LYS A 36 24.150 30.334 29.148 1.00 20.00 H new ATOM 0 HB3 LYS A 36 24.938 28.949 29.877 1.00 20.00 H new ATOM 0 HG2 LYS A 36 25.041 30.380 32.058 1.00 20.00 H new ATOM 0 HG3 LYS A 36 23.900 31.449 31.267 1.00 20.00 H new ATOM 0 HD2 LYS A 36 22.339 29.493 30.931 1.00 20.00 H new ATOM 0 HD3 LYS A 36 23.470 28.465 31.789 1.00 20.00 H new ATOM 0 HE2 LYS A 36 23.305 30.008 33.782 1.00 20.00 H new ATOM 0 HE3 LYS A 36 22.104 30.951 32.922 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 21.080 29.376 34.409 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 20.694 28.995 32.799 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 21.857 28.081 33.633 1.00 20.00 H new ATOM 498 N LEU A 37 27.087 31.370 27.480 1.00 20.00 N ATOM 499 CA LEU A 37 27.640 31.290 26.131 1.00 20.00 C ATOM 500 C LEU A 37 29.166 31.407 26.200 1.00 20.00 C ATOM 501 O LEU A 37 29.869 30.513 25.734 1.00 20.00 O ATOM 502 CB LEU A 37 27.007 32.393 25.248 1.00 20.00 C ATOM 503 CG LEU A 37 26.488 31.932 23.868 1.00 20.00 C ATOM 504 CD1 LEU A 37 27.592 31.408 22.943 1.00 20.00 C ATOM 505 CD2 LEU A 37 25.378 30.886 24.002 1.00 20.00 C ATOM 0 H LEU A 37 26.995 32.333 27.803 1.00 20.00 H new ATOM 0 HA LEU A 37 27.402 30.328 25.677 1.00 20.00 H new ATOM 0 HB2 LEU A 37 26.178 32.840 25.796 1.00 20.00 H new ATOM 0 HB3 LEU A 37 27.747 33.178 25.093 1.00 20.00 H new ATOM 0 HG LEU A 37 26.079 32.829 23.402 1.00 20.00 H new ATOM 0 HD11 LEU A 37 27.155 31.102 21.992 1.00 20.00 H new ATOM 0 HD12 LEU A 37 28.325 32.196 22.769 1.00 20.00 H new ATOM 0 HD13 LEU A 37 28.082 30.553 23.409 1.00 20.00 H new ATOM 0 HD21 LEU A 37 25.039 30.586 23.010 1.00 20.00 H new ATOM 0 HD22 LEU A 37 25.761 30.015 24.533 1.00 20.00 H new ATOM 0 HD23 LEU A 37 24.543 31.311 24.558 1.00 20.00 H new ATOM 517 N THR A 38 29.658 32.501 26.801 1.00 20.00 N ATOM 518 CA THR A 38 31.067 32.887 26.907 1.00 20.00 C ATOM 519 C THR A 38 31.932 31.870 27.671 1.00 20.00 C ATOM 520 O THR A 38 31.434 30.978 28.358 1.00 20.00 O ATOM 521 CB THR A 38 31.172 34.277 27.570 1.00 20.00 C ATOM 522 OG1 THR A 38 30.515 34.276 28.819 1.00 20.00 O ATOM 523 CG2 THR A 38 30.600 35.394 26.690 1.00 20.00 C ATOM 0 H THR A 38 29.043 33.178 27.252 1.00 20.00 H new ATOM 0 HA THR A 38 31.461 32.916 25.891 1.00 20.00 H new ATOM 0 HB THR A 38 32.234 34.479 27.709 1.00 20.00 H new ATOM 0 HG1 THR A 38 29.560 34.449 28.686 1.00 20.00 H new ATOM 0 HG21 THR A 38 30.699 36.350 27.205 1.00 20.00 H new ATOM 0 HG22 THR A 38 31.147 35.431 25.748 1.00 20.00 H new ATOM 0 HG23 THR A 38 29.547 35.197 26.491 1.00 20.00 H new ATOM 531 N GLY A 39 33.254 32.046 27.559 1.00 20.00 N ATOM 532 CA GLY A 39 34.276 31.281 28.257 1.00 20.00 C ATOM 533 C GLY A 39 35.650 31.606 27.678 1.00 20.00 C ATOM 534 O GLY A 39 36.213 32.659 27.978 1.00 20.00 O ATOM 0 H GLY A 39 33.651 32.761 26.949 1.00 20.00 H new ATOM 0 HA2 GLY A 39 34.255 31.515 29.321 1.00 20.00 H new ATOM 0 HA3 GLY A 39 34.074 30.214 28.161 1.00 20.00 H new ATOM 538 N CYS A 40 36.178 30.705 26.843 1.00 20.00 N ATOM 539 CA CYS A 40 37.487 30.843 26.214 1.00 20.00 C ATOM 540 C CYS A 40 37.504 31.878 25.084 1.00 20.00 C ATOM 541 O CYS A 40 38.466 32.639 24.985 1.00 20.00 O ATOM 542 CB CYS A 40 37.924 29.469 25.703 1.00 20.00 C ATOM 543 SG CYS A 40 38.462 28.373 27.045 1.00 20.00 S ATOM 0 H CYS A 40 35.695 29.845 26.583 1.00 20.00 H new ATOM 0 HA CYS A 40 38.188 31.214 26.962 1.00 20.00 H new ATOM 0 HB2 CYS A 40 37.097 29.004 25.167 1.00 20.00 H new ATOM 0 HB3 CYS A 40 38.738 29.592 24.989 1.00 20.00 H new ATOM 548 N LYS A 41 36.462 31.909 24.238 1.00 20.00 N ATOM 549 CA LYS A 41 36.374 32.776 23.067 1.00 20.00 C ATOM 550 C LYS A 41 34.937 33.276 22.872 1.00 20.00 C ATOM 551 O LYS A 41 34.664 34.447 23.133 1.00 20.00 O ATOM 552 CB LYS A 41 36.924 32.010 21.851 1.00 20.00 C ATOM 553 CG LYS A 41 36.941 32.888 20.590 1.00 20.00 C ATOM 554 CD LYS A 41 37.489 32.186 19.336 1.00 20.00 C ATOM 555 CE LYS A 41 39.021 32.121 19.268 1.00 20.00 C ATOM 556 NZ LYS A 41 39.582 31.035 20.104 1.00 20.00 N ATOM 0 H LYS A 41 35.641 31.315 24.358 1.00 20.00 H new ATOM 0 HA LYS A 41 36.981 33.671 23.202 1.00 20.00 H new ATOM 0 HB2 LYS A 41 37.934 31.662 22.066 1.00 20.00 H new ATOM 0 HB3 LYS A 41 36.313 31.125 21.671 1.00 20.00 H new ATOM 0 HG2 LYS A 41 35.926 33.230 20.386 1.00 20.00 H new ATOM 0 HG3 LYS A 41 37.543 33.775 20.787 1.00 20.00 H new ATOM 0 HD2 LYS A 41 37.092 31.172 19.299 1.00 20.00 H new ATOM 0 HD3 LYS A 41 37.119 32.706 18.452 1.00 20.00 H new ATOM 0 HE2 LYS A 41 39.329 31.974 18.233 1.00 20.00 H new ATOM 0 HE3 LYS A 41 39.436 33.075 19.592 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 40.191 31.444 20.841 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 38.807 30.505 20.550 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 40.143 30.393 19.508 1.00 20.00 H new ATOM 570 N GLY A 42 34.034 32.400 22.410 1.00 20.00 N ATOM 571 CA GLY A 42 32.659 32.722 22.052 1.00 20.00 C ATOM 572 C GLY A 42 31.701 31.663 22.578 1.00 20.00 C ATOM 573 O GLY A 42 30.920 31.946 23.482 1.00 20.00 O ATOM 0 H GLY A 42 34.256 31.414 22.273 1.00 20.00 H new ATOM 0 HA2 GLY A 42 32.391 33.696 22.460 1.00 20.00 H new ATOM 0 HA3 GLY A 42 32.568 32.795 20.968 1.00 20.00 H new ATOM 577 N LYS A 43 31.790 30.447 22.023 1.00 20.00 N ATOM 578 CA LYS A 43 31.047 29.258 22.452 1.00 20.00 C ATOM 579 C LYS A 43 31.515 28.685 23.802 1.00 20.00 C ATOM 580 O LYS A 43 30.795 27.878 24.392 1.00 20.00 O ATOM 581 CB LYS A 43 31.141 28.182 21.350 1.00 20.00 C ATOM 582 CG LYS A 43 29.902 28.167 20.447 1.00 20.00 C ATOM 583 CD LYS A 43 28.707 27.492 21.137 1.00 20.00 C ATOM 584 CE LYS A 43 27.456 27.456 20.252 1.00 20.00 C ATOM 585 NZ LYS A 43 27.616 26.543 19.106 1.00 20.00 N ATOM 0 H LYS A 43 32.406 30.259 21.232 1.00 20.00 H new ATOM 0 HA LYS A 43 30.013 29.565 22.606 1.00 20.00 H new ATOM 0 HB2 LYS A 43 32.028 28.363 20.743 1.00 20.00 H new ATOM 0 HB3 LYS A 43 31.264 27.202 21.811 1.00 20.00 H new ATOM 0 HG2 LYS A 43 29.637 29.189 20.176 1.00 20.00 H new ATOM 0 HG3 LYS A 43 30.133 27.641 19.521 1.00 20.00 H new ATOM 0 HD2 LYS A 43 28.980 26.474 21.414 1.00 20.00 H new ATOM 0 HD3 LYS A 43 28.478 28.023 22.061 1.00 20.00 H new ATOM 0 HE2 LYS A 43 26.599 27.143 20.848 1.00 20.00 H new ATOM 0 HE3 LYS A 43 27.241 28.461 19.888 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 26.730 26.510 18.562 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 28.385 26.885 18.495 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 27.846 25.589 19.451 1.00 20.00 H new ATOM 599 N GLY A 44 32.686 29.116 24.292 1.00 20.00 N ATOM 600 CA GLY A 44 33.232 28.784 25.604 1.00 20.00 C ATOM 601 C GLY A 44 34.345 27.732 25.568 1.00 20.00 C ATOM 602 O GLY A 44 35.158 27.705 26.489 1.00 20.00 O ATOM 0 H GLY A 44 33.300 29.731 23.758 1.00 20.00 H new ATOM 0 HA2 GLY A 44 33.620 29.692 26.065 1.00 20.00 H new ATOM 0 HA3 GLY A 44 32.425 28.422 26.241 1.00 20.00 H new ATOM 606 N GLY A 45 34.411 26.906 24.515 1.00 20.00 N ATOM 607 CA GLY A 45 35.435 25.890 24.293 1.00 20.00 C ATOM 608 C GLY A 45 35.232 24.605 25.106 1.00 20.00 C ATOM 609 O GLY A 45 34.332 24.518 25.943 1.00 20.00 O ATOM 0 H GLY A 45 33.720 26.933 23.765 1.00 20.00 H new ATOM 0 HA2 GLY A 45 35.456 25.637 23.233 1.00 20.00 H new ATOM 0 HA3 GLY A 45 36.409 26.312 24.539 1.00 20.00 H new ATOM 613 N GLU A 46 36.080 23.599 24.837 1.00 20.00 N ATOM 614 CA GLU A 46 35.984 22.245 25.388 1.00 20.00 C ATOM 615 C GLU A 46 37.347 21.669 25.807 1.00 20.00 C ATOM 616 O GLU A 46 38.404 22.219 25.493 1.00 20.00 O ATOM 617 CB GLU A 46 35.247 21.331 24.388 1.00 20.00 C ATOM 618 CG GLU A 46 36.058 20.988 23.125 1.00 20.00 C ATOM 619 CD GLU A 46 35.250 20.226 22.067 1.00 20.00 C ATOM 620 OE1 GLU A 46 34.242 19.581 22.433 1.00 20.00 O ATOM 621 OE2 GLU A 46 35.666 20.278 20.889 1.00 20.00 O ATOM 0 H GLU A 46 36.876 23.714 24.209 1.00 20.00 H new ATOM 0 HA GLU A 46 35.404 22.298 26.309 1.00 20.00 H new ATOM 0 HB2 GLU A 46 34.975 20.404 24.893 1.00 20.00 H new ATOM 0 HB3 GLU A 46 34.318 21.815 24.088 1.00 20.00 H new ATOM 0 HG2 GLU A 46 36.438 21.910 22.686 1.00 20.00 H new ATOM 0 HG3 GLU A 46 36.924 20.390 23.410 1.00 20.00 H new ATOM 628 N CYS A 47 37.287 20.537 26.522 1.00 20.00 N ATOM 629 CA CYS A 47 38.393 19.867 27.205 1.00 20.00 C ATOM 630 C CYS A 47 39.011 18.740 26.347 1.00 20.00 C ATOM 631 O CYS A 47 39.424 17.707 26.876 1.00 20.00 O ATOM 632 CB CYS A 47 37.846 19.387 28.560 1.00 20.00 C ATOM 633 SG CYS A 47 39.032 18.874 29.838 1.00 20.00 S ATOM 0 H CYS A 47 36.407 20.036 26.644 1.00 20.00 H new ATOM 0 HA CYS A 47 39.226 20.550 27.370 1.00 20.00 H new ATOM 0 HB2 CYS A 47 37.237 20.190 28.975 1.00 20.00 H new ATOM 0 HB3 CYS A 47 37.179 18.546 28.370 1.00 20.00 H new ATOM 638 N ASN A 48 39.039 18.920 25.015 1.00 20.00 N ATOM 639 CA ASN A 48 39.541 17.953 24.032 1.00 20.00 C ATOM 640 C ASN A 48 41.026 17.606 24.238 1.00 20.00 C ATOM 641 O ASN A 48 41.773 18.416 24.785 1.00 20.00 O ATOM 642 CB ASN A 48 39.317 18.505 22.608 1.00 20.00 C ATOM 643 CG ASN A 48 38.122 17.882 21.891 1.00 20.00 C ATOM 644 OD1 ASN A 48 38.212 17.589 20.703 1.00 20.00 O ATOM 645 ND2 ASN A 48 37.008 17.665 22.586 1.00 20.00 N ATOM 0 H ASN A 48 38.699 19.778 24.580 1.00 20.00 H new ATOM 0 HA ASN A 48 38.982 17.028 24.171 1.00 20.00 H new ATOM 0 HB2 ASN A 48 39.174 19.584 22.664 1.00 20.00 H new ATOM 0 HB3 ASN A 48 40.216 18.333 22.015 1.00 20.00 H new ATOM 0 HD21 ASN A 48 36.198 17.244 22.132 1.00 20.00 H new ATOM 0 HD22 ASN A 48 36.965 17.920 23.573 1.00 20.00 H new ATOM 652 N PRO A 49 41.470 16.425 23.761 1.00 20.00 N ATOM 653 CA PRO A 49 42.796 15.870 24.018 1.00 20.00 C ATOM 654 C PRO A 49 43.909 16.733 23.413 1.00 20.00 C ATOM 655 O PRO A 49 43.680 17.484 22.464 1.00 20.00 O ATOM 656 CB PRO A 49 42.786 14.460 23.417 1.00 20.00 C ATOM 657 CG PRO A 49 41.725 14.546 22.327 1.00 20.00 C ATOM 658 CD PRO A 49 40.708 15.511 22.925 1.00 20.00 C ATOM 0 HA PRO A 49 43.005 15.844 25.087 1.00 20.00 H new ATOM 0 HB2 PRO A 49 43.760 14.191 23.009 1.00 20.00 H new ATOM 0 HB3 PRO A 49 42.534 13.707 24.164 1.00 20.00 H new ATOM 0 HG2 PRO A 49 42.137 14.921 21.390 1.00 20.00 H new ATOM 0 HG3 PRO A 49 41.283 13.573 22.114 1.00 20.00 H new ATOM 0 HD2 PRO A 49 40.174 16.050 22.143 1.00 20.00 H new ATOM 0 HD3 PRO A 49 39.960 14.977 23.511 1.00 20.00 H new ATOM 666 N LEU A 50 45.135 16.573 23.929 1.00 20.00 N ATOM 667 CA LEU A 50 46.346 17.241 23.443 1.00 20.00 C ATOM 668 C LEU A 50 46.685 16.863 21.988 1.00 20.00 C ATOM 669 O LEU A 50 47.390 17.614 21.311 1.00 20.00 O ATOM 670 CB LEU A 50 47.528 16.889 24.361 1.00 20.00 C ATOM 671 CG LEU A 50 47.448 17.546 25.742 1.00 20.00 C ATOM 672 CD1 LEU A 50 48.469 16.897 26.692 1.00 20.00 C ATOM 673 CD2 LEU A 50 47.742 19.051 25.660 1.00 20.00 C ATOM 0 H LEU A 50 45.315 15.956 24.721 1.00 20.00 H new ATOM 0 HA LEU A 50 46.158 18.315 23.461 1.00 20.00 H new ATOM 0 HB2 LEU A 50 47.572 15.807 24.485 1.00 20.00 H new ATOM 0 HB3 LEU A 50 48.456 17.192 23.877 1.00 20.00 H new ATOM 0 HG LEU A 50 46.435 17.402 26.119 1.00 20.00 H new ATOM 0 HD11 LEU A 50 48.406 17.370 27.672 1.00 20.00 H new ATOM 0 HD12 LEU A 50 48.252 15.833 26.788 1.00 20.00 H new ATOM 0 HD13 LEU A 50 49.474 17.027 26.290 1.00 20.00 H new ATOM 0 HD21 LEU A 50 47.678 19.489 26.656 1.00 20.00 H new ATOM 0 HD22 LEU A 50 48.744 19.205 25.260 1.00 20.00 H new ATOM 0 HD23 LEU A 50 47.013 19.529 25.006 1.00 20.00 H new ATOM 685 N ASP A 51 46.170 15.721 21.500 1.00 20.00 N ATOM 686 CA ASP A 51 46.293 15.248 20.118 1.00 20.00 C ATOM 687 C ASP A 51 45.557 16.141 19.117 1.00 20.00 C ATOM 688 O ASP A 51 45.937 16.164 17.951 1.00 20.00 O ATOM 689 CB ASP A 51 45.739 13.819 20.032 1.00 20.00 C ATOM 690 CG ASP A 51 46.432 12.858 20.999 1.00 20.00 C ATOM 691 OD1 ASP A 51 45.831 12.575 22.059 1.00 20.00 O ATOM 692 OD2 ASP A 51 47.562 12.427 20.681 1.00 20.00 O ATOM 0 H ASP A 51 45.635 15.079 22.085 1.00 20.00 H new ATOM 0 HA ASP A 51 47.350 15.276 19.853 1.00 20.00 H new ATOM 0 HB2 ASP A 51 44.670 13.835 20.245 1.00 20.00 H new ATOM 0 HB3 ASP A 51 45.855 13.449 19.013 1.00 20.00 H new ATOM 697 N ARG A 52 44.523 16.865 19.565 1.00 20.00 N ATOM 698 CA ARG A 52 43.709 17.749 18.743 1.00 20.00 C ATOM 699 C ARG A 52 44.495 19.015 18.372 1.00 20.00 C ATOM 700 O ARG A 52 45.359 19.462 19.129 1.00 20.00 O ATOM 701 CB ARG A 52 42.418 18.095 19.517 1.00 20.00 C ATOM 702 CG ARG A 52 41.189 18.382 18.635 1.00 20.00 C ATOM 703 CD ARG A 52 40.423 17.112 18.229 1.00 20.00 C ATOM 704 NE ARG A 52 41.183 16.268 17.297 1.00 20.00 N ATOM 705 CZ ARG A 52 41.128 14.933 17.194 1.00 20.00 C ATOM 706 NH1 ARG A 52 40.326 14.189 17.957 1.00 20.00 N ATOM 707 NH2 ARG A 52 41.902 14.312 16.304 1.00 20.00 N ATOM 0 H ARG A 52 44.227 16.846 20.541 1.00 20.00 H new ATOM 0 HA ARG A 52 43.443 17.250 17.811 1.00 20.00 H new ATOM 0 HB2 ARG A 52 42.181 17.268 20.187 1.00 20.00 H new ATOM 0 HB3 ARG A 52 42.610 18.967 20.142 1.00 20.00 H new ATOM 0 HG2 ARG A 52 40.514 19.050 19.170 1.00 20.00 H new ATOM 0 HG3 ARG A 52 41.510 18.907 17.736 1.00 20.00 H new ATOM 0 HD2 ARG A 52 40.183 16.536 19.122 1.00 20.00 H new ATOM 0 HD3 ARG A 52 39.476 17.395 17.768 1.00 20.00 H new ATOM 0 HE ARG A 52 41.820 16.749 16.661 1.00 20.00 H new ATOM 0 HH11 ARG A 52 39.725 14.634 18.650 1.00 20.00 H new ATOM 0 HH12 ARG A 52 40.314 13.175 17.847 1.00 20.00 H new ATOM 0 HH21 ARG A 52 42.529 14.853 15.709 1.00 20.00 H new ATOM 0 HH22 ARG A 52 41.867 13.296 16.218 1.00 20.00 H new ATOM 721 N GLN A 53 44.173 19.603 17.209 1.00 20.00 N ATOM 722 CA GLN A 53 44.817 20.803 16.670 1.00 20.00 C ATOM 723 C GLN A 53 43.741 21.772 16.175 1.00 20.00 C ATOM 724 O GLN A 53 43.137 21.576 15.119 1.00 20.00 O ATOM 725 CB GLN A 53 45.840 20.448 15.580 1.00 20.00 C ATOM 726 CG GLN A 53 46.970 19.555 16.117 1.00 20.00 C ATOM 727 CD GLN A 53 48.184 19.522 15.188 1.00 20.00 C ATOM 728 OE1 GLN A 53 48.055 19.337 13.980 1.00 20.00 O ATOM 729 NE2 GLN A 53 49.382 19.695 15.749 1.00 20.00 N ATOM 0 H GLN A 53 43.436 19.243 16.603 1.00 20.00 H new ATOM 0 HA GLN A 53 45.383 21.298 17.459 1.00 20.00 H new ATOM 0 HB2 GLN A 53 45.334 19.938 14.760 1.00 20.00 H new ATOM 0 HB3 GLN A 53 46.266 21.364 15.171 1.00 20.00 H new ATOM 0 HG2 GLN A 53 47.278 19.915 17.099 1.00 20.00 H new ATOM 0 HG3 GLN A 53 46.594 18.541 16.253 1.00 20.00 H new ATOM 0 HE21 GLN A 53 49.457 19.847 16.755 1.00 20.00 H new ATOM 0 HE22 GLN A 53 50.223 19.676 15.172 1.00 20.00 H new ATOM 738 N CYS A 54 43.492 22.799 16.991 1.00 20.00 N ATOM 739 CA CYS A 54 42.431 23.786 16.841 1.00 20.00 C ATOM 740 C CYS A 54 42.931 25.104 17.442 1.00 20.00 C ATOM 741 O CYS A 54 43.529 25.912 16.732 1.00 20.00 O ATOM 742 CB CYS A 54 41.132 23.263 17.495 1.00 20.00 C ATOM 743 SG CYS A 54 41.357 22.231 18.980 1.00 20.00 S ATOM 0 H CYS A 54 44.061 22.970 17.820 1.00 20.00 H new ATOM 0 HA CYS A 54 42.187 23.964 15.794 1.00 20.00 H new ATOM 0 HB2 CYS A 54 40.510 24.118 17.760 1.00 20.00 H new ATOM 0 HB3 CYS A 54 40.580 22.685 16.753 1.00 20.00 H new ATOM 748 N LYS A 55 42.730 25.297 18.752 1.00 20.00 N ATOM 749 CA LYS A 55 43.261 26.389 19.550 1.00 20.00 C ATOM 750 C LYS A 55 43.547 25.886 20.972 1.00 20.00 C ATOM 751 O LYS A 55 43.056 24.829 21.376 1.00 20.00 O ATOM 752 CB LYS A 55 42.219 27.523 19.539 1.00 20.00 C ATOM 753 CG LYS A 55 42.824 28.921 19.728 1.00 20.00 C ATOM 754 CD LYS A 55 43.461 29.462 18.444 1.00 20.00 C ATOM 755 CE LYS A 55 44.270 30.744 18.666 1.00 20.00 C ATOM 756 NZ LYS A 55 43.450 31.866 19.143 1.00 20.00 N ATOM 0 H LYS A 55 42.161 24.656 19.305 1.00 20.00 H new ATOM 0 HA LYS A 55 44.200 26.765 19.144 1.00 20.00 H new ATOM 0 HB2 LYS A 55 41.677 27.497 18.594 1.00 20.00 H new ATOM 0 HB3 LYS A 55 41.491 27.342 20.330 1.00 20.00 H new ATOM 0 HG2 LYS A 55 42.046 29.608 20.062 1.00 20.00 H new ATOM 0 HG3 LYS A 55 43.576 28.884 20.516 1.00 20.00 H new ATOM 0 HD2 LYS A 55 44.112 28.698 18.019 1.00 20.00 H new ATOM 0 HD3 LYS A 55 42.678 29.657 17.711 1.00 20.00 H new ATOM 0 HE2 LYS A 55 45.061 30.547 19.389 1.00 20.00 H new ATOM 0 HE3 LYS A 55 44.755 31.027 17.732 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 44.051 32.704 19.275 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 42.710 32.077 18.443 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 43.007 31.612 20.049 1.00 20.00 H new ATOM 770 N GLU A 56 44.303 26.676 21.738 1.00 20.00 N ATOM 771 CA GLU A 56 44.517 26.465 23.162 1.00 20.00 C ATOM 772 C GLU A 56 44.528 27.800 23.928 1.00 20.00 C ATOM 773 O GLU A 56 44.674 28.872 23.324 1.00 20.00 O ATOM 774 CB GLU A 56 45.785 25.625 23.379 1.00 20.00 C ATOM 775 CG GLU A 56 47.095 26.339 23.025 1.00 20.00 C ATOM 776 CD GLU A 56 47.797 25.682 21.834 1.00 20.00 C ATOM 777 OE1 GLU A 56 47.344 25.919 20.691 1.00 20.00 O ATOM 778 OE2 GLU A 56 48.756 24.916 22.077 1.00 20.00 O ATOM 0 H GLU A 56 44.791 27.495 21.374 1.00 20.00 H new ATOM 0 HA GLU A 56 43.683 25.898 23.575 1.00 20.00 H new ATOM 0 HB2 GLU A 56 45.826 25.317 24.424 1.00 20.00 H new ATOM 0 HB3 GLU A 56 45.709 24.717 22.781 1.00 20.00 H new ATOM 0 HG2 GLU A 56 46.888 27.384 22.794 1.00 20.00 H new ATOM 0 HG3 GLU A 56 47.759 26.329 23.889 1.00 20.00 H new ATOM 785 N LEU A 57 44.372 27.698 25.261 1.00 20.00 N ATOM 786 CA LEU A 57 44.257 28.839 26.171 1.00 20.00 C ATOM 787 C LEU A 57 44.368 28.298 27.608 1.00 20.00 C ATOM 788 O LEU A 57 43.482 27.582 28.084 1.00 20.00 O ATOM 789 CB LEU A 57 42.938 29.591 25.880 1.00 20.00 C ATOM 790 CG LEU A 57 42.372 30.423 27.036 1.00 20.00 C ATOM 791 CD1 LEU A 57 43.371 31.488 27.534 1.00 20.00 C ATOM 792 CD2 LEU A 57 41.096 31.139 26.564 1.00 20.00 C ATOM 0 H LEU A 57 44.322 26.799 25.740 1.00 20.00 H new ATOM 0 HA LEU A 57 45.054 29.570 26.031 1.00 20.00 H new ATOM 0 HB2 LEU A 57 43.099 30.251 25.028 1.00 20.00 H new ATOM 0 HB3 LEU A 57 42.185 28.862 25.580 1.00 20.00 H new ATOM 0 HG LEU A 57 42.164 29.740 27.859 1.00 20.00 H new ATOM 0 HD11 LEU A 57 42.924 32.051 28.353 1.00 20.00 H new ATOM 0 HD12 LEU A 57 44.280 30.999 27.884 1.00 20.00 H new ATOM 0 HD13 LEU A 57 43.616 32.167 26.717 1.00 20.00 H new ATOM 0 HD21 LEU A 57 40.688 31.733 27.382 1.00 20.00 H new ATOM 0 HD22 LEU A 57 41.335 31.793 25.725 1.00 20.00 H new ATOM 0 HD23 LEU A 57 40.359 30.400 26.250 1.00 20.00 H new ATOM 804 N GLN A 58 45.494 28.617 28.263 1.00 20.00 N ATOM 805 CA GLN A 58 45.887 28.096 29.573 1.00 20.00 C ATOM 806 C GLN A 58 44.983 28.559 30.733 1.00 20.00 C ATOM 807 O GLN A 58 44.964 27.906 31.776 1.00 20.00 O ATOM 808 CB GLN A 58 47.357 28.480 29.806 1.00 20.00 C ATOM 809 CG GLN A 58 48.029 27.670 30.922 1.00 20.00 C ATOM 810 CD GLN A 58 49.528 27.959 30.990 1.00 20.00 C ATOM 811 OE1 GLN A 58 50.327 27.273 30.359 1.00 20.00 O ATOM 812 NE2 GLN A 58 49.920 28.980 31.750 1.00 20.00 N ATOM 0 H GLN A 58 46.178 29.268 27.878 1.00 20.00 H new ATOM 0 HA GLN A 58 45.766 27.013 29.562 1.00 20.00 H new ATOM 0 HB2 GLN A 58 47.913 28.338 28.879 1.00 20.00 H new ATOM 0 HB3 GLN A 58 47.413 29.540 30.053 1.00 20.00 H new ATOM 0 HG2 GLN A 58 47.566 27.911 31.879 1.00 20.00 H new ATOM 0 HG3 GLN A 58 47.869 26.606 30.749 1.00 20.00 H new ATOM 0 HE21 GLN A 58 49.230 29.530 32.261 1.00 20.00 H new ATOM 0 HE22 GLN A 58 50.911 29.212 31.821 1.00 20.00 H new ATOM 821 N ALA A 59 44.209 29.642 30.554 1.00 20.00 N ATOM 822 CA ALA A 59 43.348 30.224 31.586 1.00 20.00 C ATOM 823 C ALA A 59 42.277 29.261 32.123 1.00 20.00 C ATOM 824 O ALA A 59 41.876 29.393 33.280 1.00 20.00 O ATOM 825 CB ALA A 59 42.667 31.476 31.024 1.00 20.00 C ATOM 0 H ALA A 59 44.167 30.145 29.668 1.00 20.00 H new ATOM 0 HA ALA A 59 43.995 30.465 32.430 1.00 20.00 H new ATOM 0 HB1 ALA A 59 42.024 31.914 31.787 1.00 20.00 H new ATOM 0 HB2 ALA A 59 43.425 32.201 30.728 1.00 20.00 H new ATOM 0 HB3 ALA A 59 42.066 31.205 30.156 1.00 20.00 H new ATOM 831 N GLU A 60 41.842 28.291 31.302 1.00 20.00 N ATOM 832 CA GLU A 60 40.818 27.301 31.647 1.00 20.00 C ATOM 833 C GLU A 60 41.299 25.870 31.388 1.00 20.00 C ATOM 834 O GLU A 60 40.888 24.955 32.104 1.00 20.00 O ATOM 835 CB GLU A 60 39.524 27.571 30.857 1.00 20.00 C ATOM 836 CG GLU A 60 38.978 28.986 31.102 1.00 20.00 C ATOM 837 CD GLU A 60 37.533 29.214 30.634 1.00 20.00 C ATOM 838 OE1 GLU A 60 37.064 30.359 30.796 1.00 20.00 O ATOM 839 OE2 GLU A 60 36.892 28.249 30.148 1.00 20.00 O ATOM 0 H GLU A 60 42.205 28.174 30.356 1.00 20.00 H new ATOM 0 HA GLU A 60 40.617 27.398 32.714 1.00 20.00 H new ATOM 0 HB2 GLU A 60 39.716 27.437 29.792 1.00 20.00 H new ATOM 0 HB3 GLU A 60 38.768 26.838 31.140 1.00 20.00 H new ATOM 0 HG2 GLU A 60 39.037 29.202 32.169 1.00 20.00 H new ATOM 0 HG3 GLU A 60 39.625 29.702 30.595 1.00 20.00 H new ATOM 846 N SER A 61 42.176 25.678 30.391 1.00 20.00 N ATOM 847 CA SER A 61 42.679 24.358 30.010 1.00 20.00 C ATOM 848 C SER A 61 43.634 23.734 31.041 1.00 20.00 C ATOM 849 O SER A 61 43.764 22.512 31.068 1.00 20.00 O ATOM 850 CB SER A 61 43.334 24.402 28.634 1.00 20.00 C ATOM 851 OG SER A 61 44.590 25.040 28.637 1.00 20.00 O ATOM 0 H SER A 61 42.555 26.439 29.827 1.00 20.00 H new ATOM 0 HA SER A 61 41.805 23.708 29.975 1.00 20.00 H new ATOM 0 HB2 SER A 61 43.452 23.384 28.262 1.00 20.00 H new ATOM 0 HB3 SER A 61 42.672 24.920 27.940 1.00 20.00 H new ATOM 0 HG SER A 61 44.479 25.982 28.392 1.00 20.00 H new ATOM 857 N ALA A 62 44.275 24.550 31.895 1.00 20.00 N ATOM 858 CA ALA A 62 45.254 24.133 32.900 1.00 20.00 C ATOM 859 C ALA A 62 44.686 23.223 34.001 1.00 20.00 C ATOM 860 O ALA A 62 45.456 22.684 34.798 1.00 20.00 O ATOM 861 CB ALA A 62 45.896 25.383 33.505 1.00 20.00 C ATOM 0 H ALA A 62 44.115 25.557 31.900 1.00 20.00 H new ATOM 0 HA ALA A 62 45.997 23.521 32.389 1.00 20.00 H new ATOM 0 HB1 ALA A 62 46.629 25.088 34.256 1.00 20.00 H new ATOM 0 HB2 ALA A 62 46.391 25.954 32.720 1.00 20.00 H new ATOM 0 HB3 ALA A 62 45.126 25.998 33.971 1.00 20.00 H new ATOM 867 N SER A 63 43.362 23.010 34.017 1.00 20.00 N ATOM 868 CA SER A 63 42.676 22.000 34.812 1.00 20.00 C ATOM 869 C SER A 63 41.793 21.141 33.894 1.00 20.00 C ATOM 870 O SER A 63 40.565 21.179 33.983 1.00 20.00 O ATOM 871 CB SER A 63 41.891 22.672 35.945 1.00 20.00 C ATOM 872 OG SER A 63 42.757 23.332 36.848 1.00 20.00 O ATOM 0 H SER A 63 42.720 23.564 33.450 1.00 20.00 H new ATOM 0 HA SER A 63 43.396 21.331 35.284 1.00 20.00 H new ATOM 0 HB2 SER A 63 41.184 23.388 35.526 1.00 20.00 H new ATOM 0 HB3 SER A 63 41.307 21.923 36.480 1.00 20.00 H new ATOM 0 HG SER A 63 42.230 23.753 37.559 1.00 20.00 H new ATOM 878 N CYS A 64 42.443 20.351 33.021 1.00 20.00 N ATOM 879 CA CYS A 64 41.811 19.328 32.179 1.00 20.00 C ATOM 880 C CYS A 64 42.510 17.964 32.227 1.00 20.00 C ATOM 881 O CYS A 64 41.835 16.957 32.020 1.00 20.00 O ATOM 882 CB CYS A 64 41.730 19.810 30.724 1.00 20.00 C ATOM 883 SG CYS A 64 40.128 20.534 30.293 1.00 20.00 S ATOM 0 H CYS A 64 43.451 20.411 32.880 1.00 20.00 H new ATOM 0 HA CYS A 64 40.812 19.183 32.590 1.00 20.00 H new ATOM 0 HB2 CYS A 64 42.512 20.549 30.550 1.00 20.00 H new ATOM 0 HB3 CYS A 64 41.931 18.970 30.059 1.00 20.00 H new ATOM 888 N GLY A 65 43.823 17.915 32.495 1.00 20.00 N ATOM 889 CA GLY A 65 44.621 16.693 32.535 1.00 20.00 C ATOM 890 C GLY A 65 44.760 16.056 31.151 1.00 20.00 C ATOM 891 O GLY A 65 45.674 16.406 30.405 1.00 20.00 O ATOM 0 H GLY A 65 44.370 18.752 32.695 1.00 20.00 H new ATOM 0 HA2 GLY A 65 45.611 16.919 32.932 1.00 20.00 H new ATOM 0 HA3 GLY A 65 44.159 15.980 33.218 1.00 20.00 H new ATOM 895 N LYS A 66 43.845 15.129 30.820 1.00 20.00 N ATOM 896 CA LYS A 66 43.757 14.387 29.556 1.00 20.00 C ATOM 897 C LYS A 66 43.163 15.228 28.409 1.00 20.00 C ATOM 898 O LYS A 66 42.369 14.735 27.605 1.00 20.00 O ATOM 899 CB LYS A 66 42.950 13.090 29.787 1.00 20.00 C ATOM 900 CG LYS A 66 43.592 12.089 30.762 1.00 20.00 C ATOM 901 CD LYS A 66 44.873 11.454 30.199 1.00 20.00 C ATOM 902 CE LYS A 66 45.372 10.316 31.094 1.00 20.00 C ATOM 903 NZ LYS A 66 45.831 10.802 32.409 1.00 20.00 N ATOM 0 H LYS A 66 43.104 14.864 31.468 1.00 20.00 H new ATOM 0 HA LYS A 66 44.769 14.135 29.238 1.00 20.00 H new ATOM 0 HB2 LYS A 66 41.962 13.357 30.162 1.00 20.00 H new ATOM 0 HB3 LYS A 66 42.803 12.596 28.827 1.00 20.00 H new ATOM 0 HG2 LYS A 66 43.824 12.597 31.698 1.00 20.00 H new ATOM 0 HG3 LYS A 66 42.874 11.303 30.995 1.00 20.00 H new ATOM 0 HD2 LYS A 66 44.682 11.073 29.196 1.00 20.00 H new ATOM 0 HD3 LYS A 66 45.649 12.215 30.108 1.00 20.00 H new ATOM 0 HE2 LYS A 66 44.571 9.590 31.236 1.00 20.00 H new ATOM 0 HE3 LYS A 66 46.190 9.796 30.595 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 46.160 9.998 32.981 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 46.613 11.475 32.277 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 45.045 11.276 32.898 1.00 20.00 H new ATOM 917 N GLY A 67 43.569 16.500 28.325 1.00 20.00 N ATOM 918 CA GLY A 67 43.175 17.405 27.257 1.00 20.00 C ATOM 919 C GLY A 67 43.365 18.872 27.607 1.00 20.00 C ATOM 920 O GLY A 67 42.397 19.633 27.601 1.00 20.00 O ATOM 0 H GLY A 67 44.190 16.929 29.011 1.00 20.00 H new ATOM 0 HA2 GLY A 67 43.755 17.174 26.363 1.00 20.00 H new ATOM 0 HA3 GLY A 67 42.127 17.231 27.011 1.00 20.00 H new ATOM 924 N GLN A 68 44.613 19.265 27.900 1.00 20.00 N ATOM 925 CA GLN A 68 44.968 20.636 28.240 1.00 20.00 C ATOM 926 C GLN A 68 45.244 21.468 26.983 1.00 20.00 C ATOM 927 O GLN A 68 46.378 21.738 26.593 1.00 20.00 O ATOM 928 CB GLN A 68 46.103 20.641 29.259 1.00 20.00 C ATOM 929 CG GLN A 68 46.470 22.060 29.709 1.00 20.00 C ATOM 930 CD GLN A 68 47.825 22.563 29.214 1.00 20.00 C ATOM 931 OE1 GLN A 68 48.853 21.911 29.382 1.00 20.00 O ATOM 932 NE2 GLN A 68 47.850 23.759 28.632 1.00 20.00 N ATOM 0 H GLN A 68 45.408 18.626 27.906 1.00 20.00 H new ATOM 0 HA GLN A 68 44.122 21.127 28.720 1.00 20.00 H new ATOM 0 HB2 GLN A 68 45.812 20.050 30.127 1.00 20.00 H new ATOM 0 HB3 GLN A 68 46.980 20.161 28.826 1.00 20.00 H new ATOM 0 HG2 GLN A 68 45.696 22.746 29.364 1.00 20.00 H new ATOM 0 HG3 GLN A 68 46.463 22.093 30.798 1.00 20.00 H new ATOM 0 HE21 GLN A 68 46.984 24.282 28.503 1.00 20.00 H new ATOM 0 HE22 GLN A 68 48.736 24.153 28.314 1.00 20.00 H new ATOM 941 N LYS A 69 44.131 21.887 26.388 1.00 20.00 N ATOM 942 CA LYS A 69 43.985 22.904 25.350 1.00 20.00 C ATOM 943 C LYS A 69 42.511 23.274 25.183 1.00 20.00 C ATOM 944 O LYS A 69 41.692 22.410 24.866 1.00 20.00 O ATOM 945 CB LYS A 69 44.583 22.455 24.009 1.00 20.00 C ATOM 946 CG LYS A 69 44.292 21.020 23.538 1.00 20.00 C ATOM 947 CD LYS A 69 44.758 20.773 22.092 1.00 20.00 C ATOM 948 CE LYS A 69 46.278 20.851 21.905 1.00 20.00 C ATOM 949 NZ LYS A 69 46.736 22.224 21.623 1.00 20.00 N ATOM 0 H LYS A 69 43.227 21.488 26.642 1.00 20.00 H new ATOM 0 HA LYS A 69 44.544 23.783 25.670 1.00 20.00 H new ATOM 0 HB2 LYS A 69 44.228 23.139 23.238 1.00 20.00 H new ATOM 0 HB3 LYS A 69 45.665 22.575 24.068 1.00 20.00 H new ATOM 0 HG2 LYS A 69 44.789 20.314 24.203 1.00 20.00 H new ATOM 0 HG3 LYS A 69 43.222 20.826 23.610 1.00 20.00 H new ATOM 0 HD2 LYS A 69 44.413 19.790 21.773 1.00 20.00 H new ATOM 0 HD3 LYS A 69 44.284 21.505 21.438 1.00 20.00 H new ATOM 0 HE2 LYS A 69 46.772 20.483 22.804 1.00 20.00 H new ATOM 0 HE3 LYS A 69 46.576 20.195 21.087 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 47.458 22.202 20.875 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 45.930 22.801 21.310 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 47.144 22.638 22.485 1.00 20.00 H new ATOM 963 N CYS A 70 42.177 24.556 25.403 1.00 20.00 N ATOM 964 CA CYS A 70 40.816 25.059 25.197 1.00 20.00 C ATOM 965 C CYS A 70 40.492 25.161 23.695 1.00 20.00 C ATOM 966 O CYS A 70 40.718 26.195 23.065 1.00 20.00 O ATOM 967 CB CYS A 70 40.537 26.378 25.938 1.00 20.00 C ATOM 968 SG CYS A 70 38.744 26.576 26.148 1.00 20.00 S ATOM 0 H CYS A 70 42.837 25.263 25.725 1.00 20.00 H new ATOM 0 HA CYS A 70 40.140 24.328 25.642 1.00 20.00 H new ATOM 0 HB2 CYS A 70 41.031 26.375 26.910 1.00 20.00 H new ATOM 0 HB3 CYS A 70 40.945 27.218 25.376 1.00 20.00 H new ATOM 973 N CYS A 71 39.981 24.059 23.131 1.00 20.00 N ATOM 974 CA CYS A 71 39.629 23.888 21.726 1.00 20.00 C ATOM 975 C CYS A 71 38.250 24.494 21.447 1.00 20.00 C ATOM 976 O CYS A 71 37.306 24.228 22.190 1.00 20.00 O ATOM 977 CB CYS A 71 39.611 22.381 21.440 1.00 20.00 C ATOM 978 SG CYS A 71 39.487 21.881 19.703 1.00 20.00 S ATOM 0 H CYS A 71 39.794 23.219 23.678 1.00 20.00 H new ATOM 0 HA CYS A 71 40.351 24.394 21.085 1.00 20.00 H new ATOM 0 HB2 CYS A 71 40.520 21.946 21.855 1.00 20.00 H new ATOM 0 HB3 CYS A 71 38.772 21.943 21.981 1.00 20.00 H new ATOM 983 N VAL A 72 38.121 25.287 20.374 1.00 20.00 N ATOM 984 CA VAL A 72 36.836 25.830 19.917 1.00 20.00 C ATOM 985 C VAL A 72 36.880 26.110 18.403 1.00 20.00 C ATOM 986 O VAL A 72 37.961 26.221 17.819 1.00 20.00 O ATOM 987 CB VAL A 72 36.464 27.064 20.774 1.00 20.00 C ATOM 988 CG1 VAL A 72 37.262 28.319 20.405 1.00 20.00 C ATOM 989 CG2 VAL A 72 34.956 27.364 20.751 1.00 20.00 C ATOM 0 H VAL A 72 38.912 25.571 19.795 1.00 20.00 H new ATOM 0 HA VAL A 72 36.040 25.099 20.058 1.00 20.00 H new ATOM 0 HB VAL A 72 36.740 26.791 21.793 1.00 20.00 H new ATOM 0 HG11 VAL A 72 36.953 29.147 21.043 1.00 20.00 H new ATOM 0 HG12 VAL A 72 38.326 28.129 20.547 1.00 20.00 H new ATOM 0 HG13 VAL A 72 37.076 28.575 19.362 1.00 20.00 H new ATOM 0 HG21 VAL A 72 34.750 28.239 21.368 1.00 20.00 H new ATOM 0 HG22 VAL A 72 34.640 27.560 19.726 1.00 20.00 H new ATOM 0 HG23 VAL A 72 34.408 26.507 21.142 1.00 20.00 H new ATOM 999 N TRP A 73 35.701 26.253 17.782 1.00 20.00 N ATOM 1000 CA TRP A 73 35.507 26.525 16.354 1.00 20.00 C ATOM 1001 C TRP A 73 34.562 27.722 16.142 1.00 20.00 C ATOM 1002 O TRP A 73 34.049 28.305 17.099 1.00 20.00 O ATOM 1003 CB TRP A 73 34.969 25.265 15.653 1.00 20.00 C ATOM 1004 CG TRP A 73 35.734 23.992 15.831 1.00 20.00 C ATOM 1005 CD1 TRP A 73 37.085 23.845 15.724 1.00 20.00 C ATOM 1006 CD2 TRP A 73 35.225 22.660 16.137 1.00 20.00 C ATOM 1007 NE1 TRP A 73 37.430 22.537 15.951 1.00 20.00 N ATOM 1008 CE2 TRP A 73 36.322 21.744 16.217 1.00 20.00 C ATOM 1009 CE3 TRP A 73 33.936 22.127 16.369 1.00 20.00 C ATOM 1010 CZ2 TRP A 73 36.158 20.396 16.517 1.00 20.00 C ATOM 1011 CZ3 TRP A 73 33.757 20.762 16.677 1.00 20.00 C ATOM 1012 CH2 TRP A 73 34.857 19.897 16.752 1.00 20.00 C ATOM 0 H TRP A 73 34.817 26.179 18.286 1.00 20.00 H new ATOM 0 HA TRP A 73 36.469 26.787 15.914 1.00 20.00 H new ATOM 0 HB2 TRP A 73 33.950 25.096 16.002 1.00 20.00 H new ATOM 0 HB3 TRP A 73 34.910 25.474 14.585 1.00 20.00 H new ATOM 0 HD1 TRP A 73 37.780 24.640 15.495 1.00 20.00 H new ATOM 0 HE1 TRP A 73 38.388 22.188 15.927 1.00 20.00 H new ATOM 0 HE3 TRP A 73 33.074 22.776 16.309 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 37.014 19.739 16.570 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 32.763 20.380 16.857 1.00 20.00 H new ATOM 0 HH2 TRP A 73 34.711 18.853 16.988 1.00 20.00 H new ATOM 1023 N LEU A 74 34.338 28.086 14.869 1.00 20.00 N ATOM 1024 CA LEU A 74 33.430 29.155 14.443 1.00 20.00 C ATOM 1025 C LEU A 74 31.948 28.759 14.622 1.00 20.00 C ATOM 1026 O LEU A 74 31.635 27.689 15.151 1.00 20.00 O ATOM 1027 CB LEU A 74 33.750 29.532 12.979 1.00 20.00 C ATOM 1028 CG LEU A 74 33.714 31.048 12.713 1.00 20.00 C ATOM 1029 CD1 LEU A 74 34.915 31.769 13.351 1.00 20.00 C ATOM 1030 CD2 LEU A 74 33.727 31.311 11.200 1.00 20.00 C ATOM 0 H LEU A 74 34.801 27.627 14.085 1.00 20.00 H new ATOM 0 HA LEU A 74 33.586 30.027 15.079 1.00 20.00 H new ATOM 0 HB2 LEU A 74 34.738 29.149 12.721 1.00 20.00 H new ATOM 0 HB3 LEU A 74 33.035 29.039 12.321 1.00 20.00 H new ATOM 0 HG LEU A 74 32.799 31.437 13.161 1.00 20.00 H new ATOM 0 HD11 LEU A 74 34.852 32.837 13.140 1.00 20.00 H new ATOM 0 HD12 LEU A 74 34.903 31.611 14.429 1.00 20.00 H new ATOM 0 HD13 LEU A 74 35.841 31.371 12.936 1.00 20.00 H new ATOM 0 HD21 LEU A 74 33.701 32.385 11.017 1.00 20.00 H new ATOM 0 HD22 LEU A 74 34.634 30.890 10.765 1.00 20.00 H new ATOM 0 HD23 LEU A 74 32.855 30.844 10.742 1.00 20.00 H new ATOM 1042 N HIS A 75 31.041 29.641 14.175 1.00 20.00 N ATOM 1043 CA HIS A 75 29.589 29.522 14.299 1.00 20.00 C ATOM 1044 C HIS A 75 29.024 28.203 13.747 1.00 20.00 C ATOM 1045 O HIS A 75 28.148 27.637 14.438 1.00 20.00 O ATOM 1046 CB HIS A 75 28.913 30.751 13.672 1.00 20.00 C ATOM 1047 CG HIS A 75 28.872 30.757 12.163 1.00 20.00 C ATOM 1048 ND1 HIS A 75 27.788 30.393 11.388 1.00 20.00 N ATOM 1049 CD2 HIS A 75 29.888 31.126 11.327 1.00 20.00 C ATOM 1050 CE1 HIS A 75 28.147 30.534 10.099 1.00 20.00 C ATOM 1051 NE2 HIS A 75 29.420 30.975 10.037 1.00 20.00 N ATOM 1052 OXT HIS A 75 29.461 27.767 12.659 1.00 20.00 O ATOM 0 H HIS A 75 31.319 30.497 13.694 1.00 20.00 H new ATOM 0 HA HIS A 75 29.357 29.493 15.364 1.00 20.00 H new ATOM 0 HB2 HIS A 75 27.892 30.817 14.048 1.00 20.00 H new ATOM 0 HB3 HIS A 75 29.436 31.646 14.010 1.00 20.00 H new ATOM 0 HD2 HIS A 75 30.869 31.470 11.619 1.00 20.00 H new ATOM 0 HE1 HIS A 75 27.515 30.327 9.248 1.00 20.00 H new ATOM 0 HE2 HIS A 75 29.946 31.164 9.184 1.00 20.00 H new TER 1061 HIS A 75