USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=14 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 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 29 THR OG1 : rot 103:sc= 0.806 USER MOD Single : A 1 ASN : amide:sc= -0.0671 K(o=-0.067,f=-0.76) USER MOD Single : A 1 ASN N :NH3+ 142:sc= 0.0386 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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=-0.44) USER MOD Single : A 23 SER OG : rot -33:sc= 0.161 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 105:sc= 0.0109 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc=0.000385 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -155:sc= 0.381 (180deg=0.204) USER MOD Single : A 48 ASN : amide:sc= -1.12 X(o=-1.1,f=-1.2) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 55 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0185) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 61 SER OG : rot 73:sc= 1.3 USER MOD Single : A 63 SER OG : rot -135:sc= 0.757 USER MOD Single : A 66 LYS NZ :NH3+ 150:sc= -0.0108 (180deg=-1.01) USER MOD Single : A 68 GLN : amide:sc= -2.99 K(o=-3,f=-6.5!) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -0.0589 X(o=-0.059,f=-0.0035) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 9.804 33.082 30.754 1.00 20.00 N ATOM 2 CA ASN A 1 11.127 33.049 30.101 1.00 20.00 C ATOM 3 C ASN A 1 11.540 31.619 29.744 1.00 20.00 C ATOM 4 O ASN A 1 11.104 30.664 30.388 1.00 20.00 O ATOM 5 CB ASN A 1 12.198 33.775 30.938 1.00 20.00 C ATOM 6 CG ASN A 1 12.321 33.309 32.393 1.00 20.00 C ATOM 7 OD1 ASN A 1 12.315 32.118 32.688 1.00 20.00 O ATOM 8 ND2 ASN A 1 12.472 34.255 33.318 1.00 20.00 N ATOM 0 H1 ASN A 1 9.806 33.800 31.506 1.00 20.00 H new ATOM 0 H2 ASN A 1 9.076 33.319 30.051 1.00 20.00 H new ATOM 0 H3 ASN A 1 9.597 32.150 31.166 1.00 20.00 H new ATOM 0 HA ASN A 1 11.042 33.598 29.163 1.00 20.00 H new ATOM 0 HB2 ASN A 1 13.164 33.647 30.450 1.00 20.00 H new ATOM 0 HB3 ASN A 1 11.977 34.842 30.933 1.00 20.00 H new ATOM 0 HD21 ASN A 1 12.586 33.996 34.298 1.00 20.00 H new ATOM 0 HD22 ASN A 1 12.473 35.238 33.046 1.00 20.00 H new ATOM 17 N GLU A 2 12.385 31.488 28.711 1.00 20.00 N ATOM 18 CA GLU A 2 12.914 30.214 28.227 1.00 20.00 C ATOM 19 C GLU A 2 14.442 30.222 28.274 1.00 20.00 C ATOM 20 O GLU A 2 15.032 29.311 28.848 1.00 20.00 O ATOM 21 CB GLU A 2 12.385 29.933 26.810 1.00 20.00 C ATOM 22 CG GLU A 2 12.552 28.464 26.396 1.00 20.00 C ATOM 23 CD GLU A 2 11.551 27.548 27.101 1.00 20.00 C ATOM 24 OE1 GLU A 2 10.436 27.393 26.554 1.00 20.00 O ATOM 25 OE2 GLU A 2 11.900 27.014 28.177 1.00 20.00 O ATOM 0 H GLU A 2 12.725 32.289 28.178 1.00 20.00 H new ATOM 0 HA GLU A 2 12.573 29.408 28.877 1.00 20.00 H new ATOM 0 HB2 GLU A 2 11.330 30.203 26.760 1.00 20.00 H new ATOM 0 HB3 GLU A 2 12.910 30.569 26.098 1.00 20.00 H new ATOM 0 HG2 GLU A 2 12.425 28.376 25.317 1.00 20.00 H new ATOM 0 HG3 GLU A 2 13.566 28.137 26.626 1.00 20.00 H new ATOM 32 N CYS A 3 15.074 31.255 27.699 1.00 20.00 N ATOM 33 CA CYS A 3 16.528 31.386 27.589 1.00 20.00 C ATOM 34 C CYS A 3 17.193 31.467 28.972 1.00 20.00 C ATOM 35 O CYS A 3 18.263 30.892 29.160 1.00 20.00 O ATOM 36 CB CYS A 3 16.846 32.631 26.739 1.00 20.00 C ATOM 37 SG CYS A 3 15.868 32.668 25.215 1.00 20.00 S ATOM 0 H CYS A 3 14.572 32.042 27.288 1.00 20.00 H new ATOM 0 HA CYS A 3 16.935 30.500 27.102 1.00 20.00 H new ATOM 0 HB2 CYS A 3 16.646 33.530 27.322 1.00 20.00 H new ATOM 0 HB3 CYS A 3 17.907 32.641 26.491 1.00 20.00 H new ATOM 42 N VAL A 4 16.544 32.132 29.946 1.00 20.00 N ATOM 43 CA VAL A 4 16.964 32.211 31.350 1.00 20.00 C ATOM 44 C VAL A 4 16.900 30.817 31.998 1.00 20.00 C ATOM 45 O VAL A 4 17.824 30.437 32.715 1.00 20.00 O ATOM 46 CB VAL A 4 16.062 33.213 32.110 1.00 20.00 C ATOM 47 CG1 VAL A 4 16.358 33.250 33.618 1.00 20.00 C ATOM 48 CG2 VAL A 4 16.228 34.633 31.559 1.00 20.00 C ATOM 0 H VAL A 4 15.682 32.646 29.766 1.00 20.00 H new ATOM 0 HA VAL A 4 17.994 32.564 31.400 1.00 20.00 H new ATOM 0 HB VAL A 4 15.041 32.862 31.959 1.00 20.00 H new ATOM 0 HG11 VAL A 4 15.697 33.969 34.101 1.00 20.00 H new ATOM 0 HG12 VAL A 4 16.193 32.261 34.046 1.00 20.00 H new ATOM 0 HG13 VAL A 4 17.395 33.546 33.778 1.00 20.00 H new ATOM 0 HG21 VAL A 4 15.582 35.316 32.112 1.00 20.00 H new ATOM 0 HG22 VAL A 4 17.266 34.947 31.668 1.00 20.00 H new ATOM 0 HG23 VAL A 4 15.954 34.648 30.504 1.00 20.00 H new ATOM 58 N SER A 5 15.825 30.054 31.741 1.00 20.00 N ATOM 59 CA SER A 5 15.619 28.718 32.293 1.00 20.00 C ATOM 60 C SER A 5 16.705 27.736 31.832 1.00 20.00 C ATOM 61 O SER A 5 17.160 26.923 32.635 1.00 20.00 O ATOM 62 CB SER A 5 14.224 28.212 31.909 1.00 20.00 C ATOM 63 OG SER A 5 13.933 27.012 32.600 1.00 20.00 O ATOM 0 H SER A 5 15.065 30.360 31.133 1.00 20.00 H new ATOM 0 HA SER A 5 15.691 28.782 33.379 1.00 20.00 H new ATOM 0 HB2 SER A 5 13.476 28.968 32.148 1.00 20.00 H new ATOM 0 HB3 SER A 5 14.174 28.042 30.833 1.00 20.00 H new ATOM 0 HG SER A 5 13.039 26.698 32.349 1.00 20.00 H new ATOM 69 N LYS A 6 17.146 27.831 30.568 1.00 20.00 N ATOM 70 CA LYS A 6 18.231 27.025 30.006 1.00 20.00 C ATOM 71 C LYS A 6 19.604 27.421 30.577 1.00 20.00 C ATOM 72 O LYS A 6 20.469 26.555 30.697 1.00 20.00 O ATOM 73 CB LYS A 6 18.245 27.159 28.474 1.00 20.00 C ATOM 74 CG LYS A 6 16.960 26.712 27.757 1.00 20.00 C ATOM 75 CD LYS A 6 16.683 25.209 27.840 1.00 20.00 C ATOM 76 CE LYS A 6 15.380 24.907 27.095 1.00 20.00 C ATOM 77 NZ LYS A 6 14.991 23.493 27.230 1.00 20.00 N ATOM 0 H LYS A 6 16.746 28.486 29.896 1.00 20.00 H new ATOM 0 HA LYS A 6 18.045 25.988 30.285 1.00 20.00 H new ATOM 0 HB2 LYS A 6 18.438 28.201 28.220 1.00 20.00 H new ATOM 0 HB3 LYS A 6 19.079 26.576 28.084 1.00 20.00 H new ATOM 0 HG2 LYS A 6 16.114 27.250 28.184 1.00 20.00 H new ATOM 0 HG3 LYS A 6 17.024 27.000 26.708 1.00 20.00 H new ATOM 0 HD2 LYS A 6 17.508 24.648 27.401 1.00 20.00 H new ATOM 0 HD3 LYS A 6 16.604 24.896 28.881 1.00 20.00 H new ATOM 0 HE2 LYS A 6 14.584 25.542 27.483 1.00 20.00 H new ATOM 0 HE3 LYS A 6 15.499 25.153 26.040 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 14.104 23.326 26.713 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 15.740 22.888 26.837 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 14.853 23.265 28.235 1.00 20.00 H new ATOM 91 N GLY A 7 19.793 28.696 30.956 1.00 20.00 N ATOM 92 CA GLY A 7 21.004 29.233 31.579 1.00 20.00 C ATOM 93 C GLY A 7 21.755 30.266 30.730 1.00 20.00 C ATOM 94 O GLY A 7 22.761 30.798 31.197 1.00 20.00 O ATOM 0 H GLY A 7 19.073 29.407 30.829 1.00 20.00 H new ATOM 0 HA2 GLY A 7 20.735 29.691 32.531 1.00 20.00 H new ATOM 0 HA3 GLY A 7 21.679 28.407 31.803 1.00 20.00 H new ATOM 98 N PHE A 8 21.283 30.550 29.506 1.00 20.00 N ATOM 99 CA PHE A 8 21.836 31.527 28.569 1.00 20.00 C ATOM 100 C PHE A 8 21.575 32.977 29.016 1.00 20.00 C ATOM 101 O PHE A 8 20.978 33.217 30.068 1.00 20.00 O ATOM 102 CB PHE A 8 21.232 31.262 27.180 1.00 20.00 C ATOM 103 CG PHE A 8 21.432 29.849 26.660 1.00 20.00 C ATOM 104 CD1 PHE A 8 20.319 29.062 26.310 1.00 20.00 C ATOM 105 CD2 PHE A 8 22.729 29.318 26.521 1.00 20.00 C ATOM 106 CE1 PHE A 8 20.503 27.757 25.824 1.00 20.00 C ATOM 107 CE2 PHE A 8 22.913 28.020 26.015 1.00 20.00 C ATOM 108 CZ PHE A 8 21.799 27.238 25.664 1.00 20.00 C ATOM 0 H PHE A 8 20.462 30.077 29.128 1.00 20.00 H new ATOM 0 HA PHE A 8 22.919 31.410 28.537 1.00 20.00 H new ATOM 0 HB2 PHE A 8 20.163 31.473 27.217 1.00 20.00 H new ATOM 0 HB3 PHE A 8 21.670 31.962 26.469 1.00 20.00 H new ATOM 0 HD1 PHE A 8 19.321 29.462 26.415 1.00 20.00 H new ATOM 0 HD2 PHE A 8 23.586 29.911 26.805 1.00 20.00 H new ATOM 0 HE1 PHE A 8 19.646 27.150 25.572 1.00 20.00 H new ATOM 0 HE2 PHE A 8 23.910 27.623 25.896 1.00 20.00 H new ATOM 0 HZ PHE A 8 21.939 26.241 25.272 1.00 20.00 H new ATOM 118 N GLY A 9 22.032 33.945 28.207 1.00 20.00 N ATOM 119 CA GLY A 9 21.907 35.379 28.468 1.00 20.00 C ATOM 120 C GLY A 9 21.268 36.149 27.310 1.00 20.00 C ATOM 121 O GLY A 9 21.060 35.614 26.219 1.00 20.00 O ATOM 0 H GLY A 9 22.511 33.741 27.330 1.00 20.00 H new ATOM 0 HA2 GLY A 9 21.310 35.527 29.368 1.00 20.00 H new ATOM 0 HA3 GLY A 9 22.895 35.793 28.669 1.00 20.00 H new ATOM 125 N CYS A 10 20.983 37.430 27.580 1.00 20.00 N ATOM 126 CA CYS A 10 20.284 38.351 26.692 1.00 20.00 C ATOM 127 C CYS A 10 21.237 39.457 26.237 1.00 20.00 C ATOM 128 O CYS A 10 21.260 40.551 26.805 1.00 20.00 O ATOM 129 CB CYS A 10 19.045 38.920 27.398 1.00 20.00 C ATOM 130 SG CYS A 10 17.853 37.698 27.998 1.00 20.00 S ATOM 0 H CYS A 10 21.248 37.866 28.464 1.00 20.00 H new ATOM 0 HA CYS A 10 19.944 37.819 25.804 1.00 20.00 H new ATOM 0 HB2 CYS A 10 19.376 39.523 28.244 1.00 20.00 H new ATOM 0 HB3 CYS A 10 18.533 39.592 26.709 1.00 20.00 H new ATOM 135 N LEU A 11 22.038 39.148 25.210 1.00 20.00 N ATOM 136 CA LEU A 11 22.927 40.095 24.543 1.00 20.00 C ATOM 137 C LEU A 11 22.150 40.826 23.435 1.00 20.00 C ATOM 138 O LEU A 11 21.189 40.269 22.903 1.00 20.00 O ATOM 139 CB LEU A 11 24.125 39.340 23.927 1.00 20.00 C ATOM 140 CG LEU A 11 25.271 38.966 24.890 1.00 20.00 C ATOM 141 CD1 LEU A 11 26.010 40.205 25.415 1.00 20.00 C ATOM 142 CD2 LEU A 11 24.823 38.091 26.068 1.00 20.00 C ATOM 0 H LEU A 11 22.084 38.209 24.814 1.00 20.00 H new ATOM 0 HA LEU A 11 23.297 40.820 25.268 1.00 20.00 H new ATOM 0 HB2 LEU A 11 23.752 38.424 23.468 1.00 20.00 H new ATOM 0 HB3 LEU A 11 24.539 39.952 23.126 1.00 20.00 H new ATOM 0 HG LEU A 11 25.958 38.371 24.287 1.00 20.00 H new ATOM 0 HD11 LEU A 11 26.808 39.894 26.089 1.00 20.00 H new ATOM 0 HD12 LEU A 11 26.437 40.756 24.577 1.00 20.00 H new ATOM 0 HD13 LEU A 11 25.310 40.845 25.952 1.00 20.00 H new ATOM 0 HD21 LEU A 11 25.681 37.868 26.702 1.00 20.00 H new ATOM 0 HD22 LEU A 11 24.070 38.622 26.650 1.00 20.00 H new ATOM 0 HD23 LEU A 11 24.400 37.161 25.690 1.00 20.00 H new ATOM 154 N PRO A 12 22.576 42.036 23.026 1.00 20.00 N ATOM 155 CA PRO A 12 22.029 42.710 21.855 1.00 20.00 C ATOM 156 C PRO A 12 22.500 42.028 20.564 1.00 20.00 C ATOM 157 O PRO A 12 23.460 41.256 20.562 1.00 20.00 O ATOM 158 CB PRO A 12 22.526 44.153 21.962 1.00 20.00 C ATOM 159 CG PRO A 12 23.874 43.997 22.657 1.00 20.00 C ATOM 160 CD PRO A 12 23.648 42.826 23.612 1.00 20.00 C ATOM 0 HA PRO A 12 20.940 42.671 21.821 1.00 20.00 H new ATOM 0 HB2 PRO A 12 22.628 44.619 20.982 1.00 20.00 H new ATOM 0 HB3 PRO A 12 21.842 44.774 22.541 1.00 20.00 H new ATOM 0 HG2 PRO A 12 24.671 43.786 21.944 1.00 20.00 H new ATOM 0 HG3 PRO A 12 24.157 44.903 23.193 1.00 20.00 H new ATOM 0 HD2 PRO A 12 24.555 42.232 23.723 1.00 20.00 H new ATOM 0 HD3 PRO A 12 23.374 43.180 24.606 1.00 20.00 H new ATOM 168 N GLN A 13 21.825 42.347 19.456 1.00 20.00 N ATOM 169 CA GLN A 13 22.129 41.839 18.120 1.00 20.00 C ATOM 170 C GLN A 13 23.510 42.307 17.625 1.00 20.00 C ATOM 171 O GLN A 13 24.129 41.616 16.818 1.00 20.00 O ATOM 172 CB GLN A 13 21.017 42.294 17.158 1.00 20.00 C ATOM 173 CG GLN A 13 19.672 41.611 17.460 1.00 20.00 C ATOM 174 CD GLN A 13 18.525 42.259 16.685 1.00 20.00 C ATOM 175 OE1 GLN A 13 18.232 41.868 15.558 1.00 20.00 O ATOM 176 NE2 GLN A 13 17.878 43.261 17.283 1.00 20.00 N ATOM 0 H GLN A 13 21.029 42.985 19.467 1.00 20.00 H new ATOM 0 HA GLN A 13 22.168 40.750 18.157 1.00 20.00 H new ATOM 0 HB2 GLN A 13 20.898 43.375 17.229 1.00 20.00 H new ATOM 0 HB3 GLN A 13 21.313 42.073 16.133 1.00 20.00 H new ATOM 0 HG2 GLN A 13 19.734 40.554 17.202 1.00 20.00 H new ATOM 0 HG3 GLN A 13 19.467 41.667 18.529 1.00 20.00 H new ATOM 0 HE21 GLN A 13 18.151 43.557 18.220 1.00 20.00 H new ATOM 0 HE22 GLN A 13 17.110 43.731 16.803 1.00 20.00 H new ATOM 185 N SER A 14 24.012 43.446 18.127 1.00 20.00 N ATOM 186 CA SER A 14 25.328 43.983 17.792 1.00 20.00 C ATOM 187 C SER A 14 26.467 43.127 18.370 1.00 20.00 C ATOM 188 O SER A 14 27.493 42.967 17.710 1.00 20.00 O ATOM 189 CB SER A 14 25.413 45.429 18.298 1.00 20.00 C ATOM 190 OG SER A 14 26.573 46.069 17.811 1.00 20.00 O ATOM 0 H SER A 14 23.499 44.027 18.790 1.00 20.00 H new ATOM 0 HA SER A 14 25.450 43.962 16.709 1.00 20.00 H new ATOM 0 HB2 SER A 14 24.528 45.981 17.981 1.00 20.00 H new ATOM 0 HB3 SER A 14 25.420 45.437 19.388 1.00 20.00 H new ATOM 0 HG SER A 14 26.604 46.989 18.146 1.00 20.00 H new ATOM 196 N ASP A 15 26.287 42.566 19.578 1.00 20.00 N ATOM 197 CA ASP A 15 27.271 41.711 20.241 1.00 20.00 C ATOM 198 C ASP A 15 27.122 40.247 19.812 1.00 20.00 C ATOM 199 O ASP A 15 28.110 39.642 19.394 1.00 20.00 O ATOM 200 CB ASP A 15 27.146 41.836 21.769 1.00 20.00 C ATOM 201 CG ASP A 15 27.563 43.205 22.320 1.00 20.00 C ATOM 202 OD1 ASP A 15 28.518 43.800 21.776 1.00 20.00 O ATOM 203 OD2 ASP A 15 26.934 43.638 23.312 1.00 20.00 O ATOM 0 H ASP A 15 25.437 42.700 20.126 1.00 20.00 H new ATOM 0 HA ASP A 15 28.262 42.048 19.938 1.00 20.00 H new ATOM 0 HB2 ASP A 15 26.113 41.640 22.056 1.00 20.00 H new ATOM 0 HB3 ASP A 15 27.758 41.066 22.237 1.00 20.00 H new ATOM 208 N CYS A 16 25.911 39.677 19.917 1.00 20.00 N ATOM 209 CA CYS A 16 25.626 38.285 19.592 1.00 20.00 C ATOM 210 C CYS A 16 25.784 38.041 18.079 1.00 20.00 C ATOM 211 O CYS A 16 25.053 38.659 17.298 1.00 20.00 O ATOM 212 CB CYS A 16 24.206 37.919 20.045 1.00 20.00 C ATOM 213 SG CYS A 16 23.836 36.148 19.889 1.00 20.00 S ATOM 0 H CYS A 16 25.090 40.189 20.238 1.00 20.00 H new ATOM 0 HA CYS A 16 26.339 37.651 20.119 1.00 20.00 H new ATOM 0 HB2 CYS A 16 24.075 38.220 21.084 1.00 20.00 H new ATOM 0 HB3 CYS A 16 23.486 38.487 19.455 1.00 20.00 H new ATOM 218 N PRO A 17 26.698 37.147 17.641 1.00 20.00 N ATOM 219 CA PRO A 17 26.845 36.792 16.234 1.00 20.00 C ATOM 220 C PRO A 17 25.627 35.986 15.757 1.00 20.00 C ATOM 221 O PRO A 17 24.908 35.395 16.562 1.00 20.00 O ATOM 222 CB PRO A 17 28.147 35.991 16.160 1.00 20.00 C ATOM 223 CG PRO A 17 28.193 35.292 17.516 1.00 20.00 C ATOM 224 CD PRO A 17 27.600 36.343 18.456 1.00 20.00 C ATOM 0 HA PRO A 17 26.891 37.662 15.579 1.00 20.00 H new ATOM 0 HB2 PRO A 17 28.136 35.276 15.337 1.00 20.00 H new ATOM 0 HB3 PRO A 17 29.011 36.638 16.009 1.00 20.00 H new ATOM 0 HG2 PRO A 17 27.609 34.372 17.517 1.00 20.00 H new ATOM 0 HG3 PRO A 17 29.211 35.024 17.799 1.00 20.00 H new ATOM 0 HD2 PRO A 17 27.065 35.872 19.281 1.00 20.00 H new ATOM 0 HD3 PRO A 17 28.384 36.960 18.895 1.00 20.00 H new ATOM 232 N GLN A 18 25.398 35.974 14.438 1.00 20.00 N ATOM 233 CA GLN A 18 24.141 35.534 13.819 1.00 20.00 C ATOM 234 C GLN A 18 23.956 34.008 13.861 1.00 20.00 C ATOM 235 O GLN A 18 22.843 33.512 13.697 1.00 20.00 O ATOM 236 CB GLN A 18 24.089 36.050 12.372 1.00 20.00 C ATOM 237 CG GLN A 18 23.976 37.584 12.303 1.00 20.00 C ATOM 238 CD GLN A 18 23.993 38.118 10.869 1.00 20.00 C ATOM 239 OE1 GLN A 18 24.664 37.575 9.994 1.00 20.00 O ATOM 240 NE2 GLN A 18 23.261 39.201 10.613 1.00 20.00 N ATOM 0 H GLN A 18 26.095 36.276 13.757 1.00 20.00 H new ATOM 0 HA GLN A 18 23.317 35.953 14.397 1.00 20.00 H new ATOM 0 HB2 GLN A 18 24.986 35.730 11.842 1.00 20.00 H new ATOM 0 HB3 GLN A 18 23.238 35.602 11.859 1.00 20.00 H new ATOM 0 HG2 GLN A 18 23.053 37.898 12.791 1.00 20.00 H new ATOM 0 HG3 GLN A 18 24.799 38.030 12.861 1.00 20.00 H new ATOM 0 HE21 GLN A 18 22.713 39.633 11.356 1.00 20.00 H new ATOM 0 HE22 GLN A 18 23.249 39.598 9.673 1.00 20.00 H new ATOM 249 N GLU A 19 25.045 33.280 14.118 1.00 20.00 N ATOM 250 CA GLU A 19 25.125 31.840 14.311 1.00 20.00 C ATOM 251 C GLU A 19 24.621 31.422 15.703 1.00 20.00 C ATOM 252 O GLU A 19 23.915 30.422 15.825 1.00 20.00 O ATOM 253 CB GLU A 19 26.582 31.392 14.080 1.00 20.00 C ATOM 254 CG GLU A 19 27.651 32.272 14.761 1.00 20.00 C ATOM 255 CD GLU A 19 29.056 31.683 14.610 1.00 20.00 C ATOM 256 OE1 GLU A 19 29.843 32.242 13.815 1.00 20.00 O ATOM 257 OE2 GLU A 19 29.341 30.682 15.306 1.00 20.00 O ATOM 0 H GLU A 19 25.961 33.721 14.202 1.00 20.00 H new ATOM 0 HA GLU A 19 24.474 31.345 13.590 1.00 20.00 H new ATOM 0 HB2 GLU A 19 26.693 30.369 14.439 1.00 20.00 H new ATOM 0 HB3 GLU A 19 26.776 31.376 13.007 1.00 20.00 H new ATOM 0 HG2 GLU A 19 27.628 33.272 14.328 1.00 20.00 H new ATOM 0 HG3 GLU A 19 27.414 32.378 15.820 1.00 20.00 H new ATOM 264 N ALA A 20 24.968 32.197 16.740 1.00 20.00 N ATOM 265 CA ALA A 20 24.654 31.940 18.144 1.00 20.00 C ATOM 266 C ALA A 20 23.214 32.318 18.539 1.00 20.00 C ATOM 267 O ALA A 20 22.817 32.069 19.678 1.00 20.00 O ATOM 268 CB ALA A 20 25.665 32.705 19.006 1.00 20.00 C ATOM 0 H ALA A 20 25.499 33.058 16.612 1.00 20.00 H new ATOM 0 HA ALA A 20 24.725 30.865 18.310 1.00 20.00 H new ATOM 0 HB1 ALA A 20 25.451 32.529 20.060 1.00 20.00 H new ATOM 0 HB2 ALA A 20 26.673 32.359 18.778 1.00 20.00 H new ATOM 0 HB3 ALA A 20 25.590 33.772 18.794 1.00 20.00 H new ATOM 274 N ARG A 21 22.437 32.918 17.623 1.00 20.00 N ATOM 275 CA ARG A 21 21.059 33.350 17.866 1.00 20.00 C ATOM 276 C ARG A 21 20.115 32.146 17.937 1.00 20.00 C ATOM 277 O ARG A 21 19.828 31.513 16.920 1.00 20.00 O ATOM 278 CB ARG A 21 20.603 34.348 16.792 1.00 20.00 C ATOM 279 CG ARG A 21 21.454 35.622 16.843 1.00 20.00 C ATOM 280 CD ARG A 21 20.962 36.669 15.851 1.00 20.00 C ATOM 281 NE ARG A 21 21.874 37.818 15.815 1.00 20.00 N ATOM 282 CZ ARG A 21 21.716 38.898 15.041 1.00 20.00 C ATOM 283 NH1 ARG A 21 20.625 39.072 14.293 1.00 20.00 N ATOM 284 NH2 ARG A 21 22.676 39.816 14.999 1.00 20.00 N ATOM 0 H ARG A 21 22.759 33.118 16.676 1.00 20.00 H new ATOM 0 HA ARG A 21 21.026 33.857 18.830 1.00 20.00 H new ATOM 0 HB2 ARG A 21 20.682 33.891 15.806 1.00 20.00 H new ATOM 0 HB3 ARG A 21 19.553 34.599 16.944 1.00 20.00 H new ATOM 0 HG2 ARG A 21 21.429 36.036 17.851 1.00 20.00 H new ATOM 0 HG3 ARG A 21 22.493 35.374 16.625 1.00 20.00 H new ATOM 0 HD2 ARG A 21 20.885 36.228 14.857 1.00 20.00 H new ATOM 0 HD3 ARG A 21 19.962 37.001 16.131 1.00 20.00 H new ATOM 0 HE ARG A 21 22.690 37.791 16.426 1.00 20.00 H new ATOM 0 HH11 ARG A 21 19.884 38.371 14.302 1.00 20.00 H new ATOM 0 HH12 ARG A 21 20.532 39.906 13.713 1.00 20.00 H new ATOM 0 HH21 ARG A 21 23.523 39.694 15.554 1.00 20.00 H new ATOM 0 HH22 ARG A 21 22.566 40.643 14.412 1.00 20.00 H new ATOM 298 N LEU A 22 19.648 31.846 19.156 1.00 20.00 N ATOM 299 CA LEU A 22 18.716 30.767 19.475 1.00 20.00 C ATOM 300 C LEU A 22 17.300 31.046 18.943 1.00 20.00 C ATOM 301 O LEU A 22 16.991 32.149 18.492 1.00 20.00 O ATOM 302 CB LEU A 22 18.697 30.580 21.005 1.00 20.00 C ATOM 303 CG LEU A 22 19.997 29.966 21.567 1.00 20.00 C ATOM 304 CD1 LEU A 22 20.058 30.197 23.078 1.00 20.00 C ATOM 305 CD2 LEU A 22 20.062 28.458 21.271 1.00 20.00 C ATOM 0 H LEU A 22 19.925 32.376 19.982 1.00 20.00 H new ATOM 0 HA LEU A 22 19.053 29.854 18.985 1.00 20.00 H new ATOM 0 HB2 LEU A 22 18.527 31.547 21.479 1.00 20.00 H new ATOM 0 HB3 LEU A 22 17.857 29.940 21.274 1.00 20.00 H new ATOM 0 HG LEU A 22 20.847 30.449 21.085 1.00 20.00 H new ATOM 0 HD11 LEU A 22 20.976 29.764 23.476 1.00 20.00 H new ATOM 0 HD12 LEU A 22 20.043 31.267 23.283 1.00 20.00 H new ATOM 0 HD13 LEU A 22 19.198 29.725 23.553 1.00 20.00 H new ATOM 0 HD21 LEU A 22 20.987 28.047 21.676 1.00 20.00 H new ATOM 0 HD22 LEU A 22 19.210 27.959 21.733 1.00 20.00 H new ATOM 0 HD23 LEU A 22 20.035 28.297 20.193 1.00 20.00 H new ATOM 317 N SER A 23 16.437 30.022 19.023 1.00 20.00 N ATOM 318 CA SER A 23 15.039 30.049 18.584 1.00 20.00 C ATOM 319 C SER A 23 14.057 30.260 19.752 1.00 20.00 C ATOM 320 O SER A 23 12.884 30.544 19.510 1.00 20.00 O ATOM 321 CB SER A 23 14.734 28.749 17.825 1.00 20.00 C ATOM 322 OG SER A 23 13.475 28.810 17.186 1.00 20.00 O ATOM 0 H SER A 23 16.707 29.118 19.411 1.00 20.00 H new ATOM 0 HA SER A 23 14.901 30.904 17.922 1.00 20.00 H new ATOM 0 HB2 SER A 23 15.512 28.567 17.083 1.00 20.00 H new ATOM 0 HB3 SER A 23 14.752 27.908 18.518 1.00 20.00 H new ATOM 0 HG SER A 23 12.860 29.351 17.725 1.00 20.00 H new ATOM 328 N TYR A 24 14.531 30.164 21.006 1.00 20.00 N ATOM 329 CA TYR A 24 13.815 30.512 22.226 1.00 20.00 C ATOM 330 C TYR A 24 13.517 32.024 22.289 1.00 20.00 C ATOM 331 O TYR A 24 13.979 32.796 21.445 1.00 20.00 O ATOM 332 CB TYR A 24 14.693 30.106 23.417 1.00 20.00 C ATOM 333 CG TYR A 24 15.156 28.663 23.495 1.00 20.00 C ATOM 334 CD1 TYR A 24 14.256 27.589 23.349 1.00 20.00 C ATOM 335 CD2 TYR A 24 16.514 28.402 23.744 1.00 20.00 C ATOM 336 CE1 TYR A 24 14.719 26.265 23.438 1.00 20.00 C ATOM 337 CE2 TYR A 24 16.993 27.083 23.809 1.00 20.00 C ATOM 338 CZ TYR A 24 16.094 26.003 23.661 1.00 20.00 C ATOM 339 OH TYR A 24 16.547 24.721 23.737 1.00 20.00 O ATOM 0 H TYR A 24 15.473 29.823 21.196 1.00 20.00 H new ATOM 0 HA TYR A 24 12.859 29.988 22.248 1.00 20.00 H new ATOM 0 HB2 TYR A 24 15.578 30.742 23.413 1.00 20.00 H new ATOM 0 HB3 TYR A 24 14.143 30.331 24.331 1.00 20.00 H new ATOM 0 HD1 TYR A 24 13.209 27.783 23.168 1.00 20.00 H new ATOM 0 HD2 TYR A 24 17.198 29.226 23.887 1.00 20.00 H new ATOM 0 HE1 TYR A 24 14.025 25.444 23.336 1.00 20.00 H new ATOM 0 HE2 TYR A 24 18.044 26.895 23.971 1.00 20.00 H new ATOM 0 HH TYR A 24 17.515 24.725 23.892 1.00 20.00 H new ATOM 349 N GLY A 25 12.764 32.455 23.311 1.00 20.00 N ATOM 350 CA GLY A 25 12.390 33.853 23.508 1.00 20.00 C ATOM 351 C GLY A 25 12.273 34.249 24.981 1.00 20.00 C ATOM 352 O GLY A 25 12.428 33.426 25.884 1.00 20.00 O ATOM 0 H GLY A 25 12.396 31.831 24.029 1.00 20.00 H new ATOM 0 HA2 GLY A 25 13.131 34.491 23.026 1.00 20.00 H new ATOM 0 HA3 GLY A 25 11.437 34.040 23.012 1.00 20.00 H new ATOM 356 N GLY A 26 11.998 35.543 25.193 1.00 20.00 N ATOM 357 CA GLY A 26 11.791 36.178 26.492 1.00 20.00 C ATOM 358 C GLY A 26 12.844 37.240 26.839 1.00 20.00 C ATOM 359 O GLY A 26 12.625 38.004 27.779 1.00 20.00 O ATOM 0 H GLY A 26 11.911 36.204 24.421 1.00 20.00 H new ATOM 0 HA2 GLY A 26 10.804 36.640 26.506 1.00 20.00 H new ATOM 0 HA3 GLY A 26 11.795 35.410 27.266 1.00 20.00 H new ATOM 363 N CYS A 27 13.961 37.310 26.094 1.00 20.00 N ATOM 364 CA CYS A 27 14.980 38.353 26.233 1.00 20.00 C ATOM 365 C CYS A 27 14.475 39.726 25.772 1.00 20.00 C ATOM 366 O CYS A 27 13.355 39.868 25.279 1.00 20.00 O ATOM 367 CB CYS A 27 16.249 37.952 25.464 1.00 20.00 C ATOM 368 SG CYS A 27 17.285 36.733 26.308 1.00 20.00 S ATOM 0 H CYS A 27 14.180 36.629 25.367 1.00 20.00 H new ATOM 0 HA CYS A 27 15.216 38.445 27.293 1.00 20.00 H new ATOM 0 HB2 CYS A 27 15.959 37.553 24.492 1.00 20.00 H new ATOM 0 HB3 CYS A 27 16.843 38.847 25.276 1.00 20.00 H new ATOM 373 N SER A 28 15.323 40.746 25.950 1.00 20.00 N ATOM 374 CA SER A 28 15.032 42.134 25.604 1.00 20.00 C ATOM 375 C SER A 28 15.339 42.414 24.136 1.00 20.00 C ATOM 376 O SER A 28 14.785 43.355 23.567 1.00 20.00 O ATOM 377 CB SER A 28 15.871 43.064 26.491 1.00 20.00 C ATOM 378 OG SER A 28 17.256 42.828 26.329 1.00 20.00 O ATOM 0 H SER A 28 16.253 40.621 26.349 1.00 20.00 H new ATOM 0 HA SER A 28 13.970 42.315 25.769 1.00 20.00 H new ATOM 0 HB2 SER A 28 15.647 44.102 26.245 1.00 20.00 H new ATOM 0 HB3 SER A 28 15.596 42.917 27.535 1.00 20.00 H new ATOM 0 HG SER A 28 17.761 43.438 26.906 1.00 20.00 H new ATOM 384 N THR A 29 16.217 41.596 23.541 1.00 20.00 N ATOM 385 CA THR A 29 16.794 41.806 22.227 1.00 20.00 C ATOM 386 C THR A 29 16.903 40.476 21.476 1.00 20.00 C ATOM 387 O THR A 29 16.199 40.290 20.484 1.00 20.00 O ATOM 388 CB THR A 29 18.158 42.530 22.341 1.00 20.00 C ATOM 389 OG1 THR A 29 18.963 41.960 23.359 1.00 20.00 O ATOM 390 CG2 THR A 29 17.993 44.020 22.658 1.00 20.00 C ATOM 0 H THR A 29 16.551 40.741 23.986 1.00 20.00 H new ATOM 0 HA THR A 29 16.137 42.453 21.647 1.00 20.00 H new ATOM 0 HB THR A 29 18.638 42.413 21.369 1.00 20.00 H new ATOM 0 HG1 THR A 29 19.647 41.388 22.953 1.00 20.00 H new ATOM 0 HG21 THR A 29 18.975 44.488 22.729 1.00 20.00 H new ATOM 0 HG22 THR A 29 17.419 44.499 21.865 1.00 20.00 H new ATOM 0 HG23 THR A 29 17.467 44.134 23.606 1.00 20.00 H new ATOM 398 N VAL A 30 17.775 39.565 21.941 1.00 20.00 N ATOM 399 CA VAL A 30 17.996 38.237 21.364 1.00 20.00 C ATOM 400 C VAL A 30 18.674 37.323 22.400 1.00 20.00 C ATOM 401 O VAL A 30 19.470 37.782 23.220 1.00 20.00 O ATOM 402 CB VAL A 30 18.802 38.351 20.041 1.00 20.00 C ATOM 403 CG1 VAL A 30 20.192 38.991 20.185 1.00 20.00 C ATOM 404 CG2 VAL A 30 18.957 36.998 19.336 1.00 20.00 C ATOM 0 H VAL A 30 18.362 39.743 22.756 1.00 20.00 H new ATOM 0 HA VAL A 30 17.040 37.780 21.109 1.00 20.00 H new ATOM 0 HB VAL A 30 18.195 39.024 19.435 1.00 20.00 H new ATOM 0 HG11 VAL A 30 20.678 39.028 19.210 1.00 20.00 H new ATOM 0 HG12 VAL A 30 20.088 40.003 20.577 1.00 20.00 H new ATOM 0 HG13 VAL A 30 20.797 38.397 20.870 1.00 20.00 H new ATOM 0 HG21 VAL A 30 19.527 37.130 18.417 1.00 20.00 H new ATOM 0 HG22 VAL A 30 19.482 36.304 19.992 1.00 20.00 H new ATOM 0 HG23 VAL A 30 17.972 36.597 19.097 1.00 20.00 H new ATOM 414 N CYS A 31 18.360 36.021 22.346 1.00 20.00 N ATOM 415 CA CYS A 31 18.989 34.981 23.150 1.00 20.00 C ATOM 416 C CYS A 31 20.244 34.455 22.444 1.00 20.00 C ATOM 417 O CYS A 31 20.191 34.111 21.262 1.00 20.00 O ATOM 418 CB CYS A 31 17.989 33.845 23.390 1.00 20.00 C ATOM 419 SG CYS A 31 16.454 34.328 24.225 1.00 20.00 S ATOM 0 H CYS A 31 17.640 35.659 21.721 1.00 20.00 H new ATOM 0 HA CYS A 31 19.288 35.398 24.112 1.00 20.00 H new ATOM 0 HB2 CYS A 31 17.735 33.397 22.429 1.00 20.00 H new ATOM 0 HB3 CYS A 31 18.478 33.072 23.983 1.00 20.00 H new ATOM 424 N CYS A 32 21.359 34.377 23.184 1.00 20.00 N ATOM 425 CA CYS A 32 22.674 34.007 22.664 1.00 20.00 C ATOM 426 C CYS A 32 23.228 32.818 23.458 1.00 20.00 C ATOM 427 O CYS A 32 23.252 32.875 24.688 1.00 20.00 O ATOM 428 CB CYS A 32 23.602 35.228 22.748 1.00 20.00 C ATOM 429 SG CYS A 32 24.853 35.301 21.443 1.00 20.00 S ATOM 0 H CYS A 32 21.367 34.575 24.185 1.00 20.00 H new ATOM 0 HA CYS A 32 22.600 33.701 21.621 1.00 20.00 H new ATOM 0 HB2 CYS A 32 22.997 36.134 22.707 1.00 20.00 H new ATOM 0 HB3 CYS A 32 24.103 35.223 23.716 1.00 20.00 H new ATOM 434 N ASP A 33 23.647 31.741 22.772 1.00 20.00 N ATOM 435 CA ASP A 33 24.101 30.496 23.401 1.00 20.00 C ATOM 436 C ASP A 33 25.525 30.591 23.983 1.00 20.00 C ATOM 437 O ASP A 33 26.497 30.124 23.390 1.00 20.00 O ATOM 438 CB ASP A 33 23.900 29.279 22.474 1.00 20.00 C ATOM 439 CG ASP A 33 24.313 29.458 21.008 1.00 20.00 C ATOM 440 OD1 ASP A 33 25.462 29.877 20.756 1.00 20.00 O ATOM 441 OD2 ASP A 33 23.479 29.120 20.139 1.00 20.00 O ATOM 0 H ASP A 33 23.679 31.714 21.753 1.00 20.00 H new ATOM 0 HA ASP A 33 23.458 30.335 24.266 1.00 20.00 H new ATOM 0 HB2 ASP A 33 24.461 28.440 22.886 1.00 20.00 H new ATOM 0 HB3 ASP A 33 22.846 29.001 22.500 1.00 20.00 H new ATOM 446 N LEU A 34 25.633 31.169 25.188 1.00 20.00 N ATOM 447 CA LEU A 34 26.888 31.443 25.891 1.00 20.00 C ATOM 448 C LEU A 34 27.706 30.185 26.220 1.00 20.00 C ATOM 449 O LEU A 34 28.929 30.274 26.325 1.00 20.00 O ATOM 450 CB LEU A 34 26.598 32.189 27.205 1.00 20.00 C ATOM 451 CG LEU A 34 25.729 33.456 27.104 1.00 20.00 C ATOM 452 CD1 LEU A 34 25.579 34.074 28.500 1.00 20.00 C ATOM 453 CD2 LEU A 34 26.322 34.483 26.131 1.00 20.00 C ATOM 0 H LEU A 34 24.815 31.469 25.718 1.00 20.00 H new ATOM 0 HA LEU A 34 27.484 32.048 25.208 1.00 20.00 H new ATOM 0 HB2 LEU A 34 26.110 31.495 27.889 1.00 20.00 H new ATOM 0 HB3 LEU A 34 27.551 32.465 27.657 1.00 20.00 H new ATOM 0 HG LEU A 34 24.752 33.170 26.713 1.00 20.00 H new ATOM 0 HD11 LEU A 34 24.965 34.972 28.436 1.00 20.00 H new ATOM 0 HD12 LEU A 34 25.103 33.355 29.167 1.00 20.00 H new ATOM 0 HD13 LEU A 34 26.563 34.335 28.890 1.00 20.00 H new ATOM 0 HD21 LEU A 34 25.677 35.361 26.091 1.00 20.00 H new ATOM 0 HD22 LEU A 34 27.314 34.777 26.473 1.00 20.00 H new ATOM 0 HD23 LEU A 34 26.397 34.042 25.137 1.00 20.00 H new ATOM 465 N SER A 35 27.047 29.025 26.369 1.00 20.00 N ATOM 466 CA SER A 35 27.683 27.752 26.712 1.00 20.00 C ATOM 467 C SER A 35 28.596 27.219 25.602 1.00 20.00 C ATOM 468 O SER A 35 29.436 26.366 25.879 1.00 20.00 O ATOM 469 CB SER A 35 26.609 26.695 26.994 1.00 20.00 C ATOM 470 OG SER A 35 25.770 27.067 28.065 1.00 20.00 O ATOM 0 H SER A 35 26.037 28.949 26.251 1.00 20.00 H new ATOM 0 HA SER A 35 28.296 27.942 27.593 1.00 20.00 H new ATOM 0 HB2 SER A 35 26.007 26.542 26.098 1.00 20.00 H new ATOM 0 HB3 SER A 35 27.088 25.743 27.223 1.00 20.00 H new ATOM 0 HG SER A 35 24.902 27.356 27.715 1.00 20.00 H new ATOM 476 N LYS A 36 28.428 27.711 24.364 1.00 20.00 N ATOM 477 CA LYS A 36 29.145 27.276 23.167 1.00 20.00 C ATOM 478 C LYS A 36 29.621 28.435 22.283 1.00 20.00 C ATOM 479 O LYS A 36 30.149 28.201 21.196 1.00 20.00 O ATOM 480 CB LYS A 36 28.304 26.233 22.406 1.00 20.00 C ATOM 481 CG LYS A 36 26.904 26.725 22.005 1.00 20.00 C ATOM 482 CD LYS A 36 26.132 25.625 21.264 1.00 20.00 C ATOM 483 CE LYS A 36 24.742 26.130 20.869 1.00 20.00 C ATOM 484 NZ LYS A 36 23.933 25.069 20.246 1.00 20.00 N ATOM 0 H LYS A 36 27.758 28.455 24.168 1.00 20.00 H new ATOM 0 HA LYS A 36 30.070 26.796 23.487 1.00 20.00 H new ATOM 0 HB2 LYS A 36 28.843 25.934 21.507 1.00 20.00 H new ATOM 0 HB3 LYS A 36 28.200 25.343 23.027 1.00 20.00 H new ATOM 0 HG2 LYS A 36 26.351 27.028 22.894 1.00 20.00 H new ATOM 0 HG3 LYS A 36 26.991 27.606 21.369 1.00 20.00 H new ATOM 0 HD2 LYS A 36 26.683 25.320 20.374 1.00 20.00 H new ATOM 0 HD3 LYS A 36 26.040 24.744 21.899 1.00 20.00 H new ATOM 0 HE2 LYS A 36 24.228 26.508 21.753 1.00 20.00 H new ATOM 0 HE3 LYS A 36 24.842 26.966 20.176 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 22.999 25.449 19.992 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 24.412 24.725 19.389 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 23.817 24.282 20.916 1.00 20.00 H new ATOM 498 N LEU A 37 29.470 29.675 22.761 1.00 20.00 N ATOM 499 CA LEU A 37 29.992 30.886 22.137 1.00 20.00 C ATOM 500 C LEU A 37 31.522 30.908 22.197 1.00 20.00 C ATOM 501 O LEU A 37 32.172 31.209 21.197 1.00 20.00 O ATOM 502 CB LEU A 37 29.399 32.107 22.860 1.00 20.00 C ATOM 503 CG LEU A 37 29.724 33.467 22.208 1.00 20.00 C ATOM 504 CD1 LEU A 37 29.128 33.608 20.799 1.00 20.00 C ATOM 505 CD2 LEU A 37 29.179 34.596 23.092 1.00 20.00 C ATOM 0 H LEU A 37 28.962 29.865 23.625 1.00 20.00 H new ATOM 0 HA LEU A 37 29.705 30.910 21.086 1.00 20.00 H new ATOM 0 HB2 LEU A 37 28.316 31.993 22.908 1.00 20.00 H new ATOM 0 HB3 LEU A 37 29.764 32.116 23.887 1.00 20.00 H new ATOM 0 HG LEU A 37 30.808 33.528 22.115 1.00 20.00 H new ATOM 0 HD11 LEU A 37 29.389 34.584 20.390 1.00 20.00 H new ATOM 0 HD12 LEU A 37 29.529 32.825 20.155 1.00 20.00 H new ATOM 0 HD13 LEU A 37 28.043 33.515 20.852 1.00 20.00 H new ATOM 0 HD21 LEU A 37 29.407 35.559 22.634 1.00 20.00 H new ATOM 0 HD22 LEU A 37 28.099 34.489 23.194 1.00 20.00 H new ATOM 0 HD23 LEU A 37 29.643 34.543 24.077 1.00 20.00 H new ATOM 517 N THR A 38 32.075 30.576 23.371 1.00 20.00 N ATOM 518 CA THR A 38 33.493 30.694 23.701 1.00 20.00 C ATOM 519 C THR A 38 34.132 29.316 23.910 1.00 20.00 C ATOM 520 O THR A 38 34.935 28.892 23.079 1.00 20.00 O ATOM 521 CB THR A 38 33.692 31.646 24.901 1.00 20.00 C ATOM 522 OG1 THR A 38 32.875 31.287 26.002 1.00 20.00 O ATOM 523 CG2 THR A 38 33.376 33.099 24.524 1.00 20.00 C ATOM 0 H THR A 38 31.522 30.204 24.143 1.00 20.00 H new ATOM 0 HA THR A 38 34.016 31.141 22.856 1.00 20.00 H new ATOM 0 HB THR A 38 34.741 31.557 25.184 1.00 20.00 H new ATOM 0 HG1 THR A 38 33.030 31.911 26.742 1.00 20.00 H new ATOM 0 HG21 THR A 38 33.527 33.741 25.392 1.00 20.00 H new ATOM 0 HG22 THR A 38 34.037 33.418 23.718 1.00 20.00 H new ATOM 0 HG23 THR A 38 32.340 33.172 24.194 1.00 20.00 H new ATOM 531 N GLY A 39 33.788 28.627 25.006 1.00 20.00 N ATOM 532 CA GLY A 39 34.432 27.385 25.424 1.00 20.00 C ATOM 533 C GLY A 39 33.586 26.579 26.409 1.00 20.00 C ATOM 534 O GLY A 39 32.381 26.801 26.525 1.00 20.00 O ATOM 0 H GLY A 39 33.042 28.926 25.634 1.00 20.00 H new ATOM 0 HA2 GLY A 39 34.637 26.774 24.545 1.00 20.00 H new ATOM 0 HA3 GLY A 39 35.393 27.617 25.883 1.00 20.00 H new ATOM 538 N CYS A 40 34.233 25.608 27.074 1.00 20.00 N ATOM 539 CA CYS A 40 33.637 24.647 28.004 1.00 20.00 C ATOM 540 C CYS A 40 32.717 25.346 29.017 1.00 20.00 C ATOM 541 O CYS A 40 31.526 25.046 29.061 1.00 20.00 O ATOM 542 CB CYS A 40 34.751 23.842 28.699 1.00 20.00 C ATOM 543 SG CYS A 40 35.947 23.050 27.582 1.00 20.00 S ATOM 0 H CYS A 40 35.238 25.469 26.969 1.00 20.00 H new ATOM 0 HA CYS A 40 33.010 23.953 27.444 1.00 20.00 H new ATOM 0 HB2 CYS A 40 35.292 24.507 29.372 1.00 20.00 H new ATOM 0 HB3 CYS A 40 34.289 23.071 29.316 1.00 20.00 H new ATOM 548 N LYS A 41 33.249 26.328 29.763 1.00 20.00 N ATOM 549 CA LYS A 41 32.530 27.258 30.642 1.00 20.00 C ATOM 550 C LYS A 41 31.714 26.588 31.774 1.00 20.00 C ATOM 551 O LYS A 41 30.861 27.233 32.379 1.00 20.00 O ATOM 552 CB LYS A 41 31.707 28.237 29.773 1.00 20.00 C ATOM 553 CG LYS A 41 31.566 29.628 30.410 1.00 20.00 C ATOM 554 CD LYS A 41 30.662 30.536 29.568 1.00 20.00 C ATOM 555 CE LYS A 41 30.584 31.919 30.219 1.00 20.00 C ATOM 556 NZ LYS A 41 29.588 32.776 29.553 1.00 20.00 N ATOM 0 H LYS A 41 34.254 26.502 29.767 1.00 20.00 H new ATOM 0 HA LYS A 41 33.274 27.824 31.203 1.00 20.00 H new ATOM 0 HB2 LYS A 41 32.182 28.336 28.797 1.00 20.00 H new ATOM 0 HB3 LYS A 41 30.715 27.818 29.603 1.00 20.00 H new ATOM 0 HG2 LYS A 41 31.153 29.531 31.414 1.00 20.00 H new ATOM 0 HG3 LYS A 41 32.550 30.085 30.513 1.00 20.00 H new ATOM 0 HD2 LYS A 41 31.055 30.620 28.555 1.00 20.00 H new ATOM 0 HD3 LYS A 41 29.665 30.102 29.488 1.00 20.00 H new ATOM 0 HE2 LYS A 41 30.326 31.812 31.273 1.00 20.00 H new ATOM 0 HE3 LYS A 41 31.563 32.397 30.177 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 29.562 33.705 30.020 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 29.848 32.898 28.553 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 28.650 32.331 29.615 1.00 20.00 H new ATOM 570 N GLY A 42 31.961 25.305 32.072 1.00 20.00 N ATOM 571 CA GLY A 42 31.254 24.516 33.073 1.00 20.00 C ATOM 572 C GLY A 42 31.507 24.992 34.502 1.00 20.00 C ATOM 573 O GLY A 42 30.579 25.461 35.163 1.00 20.00 O ATOM 0 H GLY A 42 32.691 24.772 31.599 1.00 20.00 H new ATOM 0 HA2 GLY A 42 30.184 24.555 32.868 1.00 20.00 H new ATOM 0 HA3 GLY A 42 31.558 23.473 32.985 1.00 20.00 H new ATOM 577 N LYS A 43 32.758 24.856 34.964 1.00 20.00 N ATOM 578 CA LYS A 43 33.181 25.150 36.339 1.00 20.00 C ATOM 579 C LYS A 43 34.358 26.131 36.428 1.00 20.00 C ATOM 580 O LYS A 43 34.501 26.781 37.463 1.00 20.00 O ATOM 581 CB LYS A 43 33.578 23.841 37.045 1.00 20.00 C ATOM 582 CG LYS A 43 32.368 23.014 37.493 1.00 20.00 C ATOM 583 CD LYS A 43 32.840 21.805 38.322 1.00 20.00 C ATOM 584 CE LYS A 43 31.647 21.050 38.926 1.00 20.00 C ATOM 585 NZ LYS A 43 32.086 19.954 39.811 1.00 20.00 N ATOM 0 H LYS A 43 33.524 24.529 34.375 1.00 20.00 H new ATOM 0 HA LYS A 43 32.329 25.626 36.825 1.00 20.00 H new ATOM 0 HB2 LYS A 43 34.191 23.243 36.371 1.00 20.00 H new ATOM 0 HB3 LYS A 43 34.194 24.075 37.914 1.00 20.00 H new ATOM 0 HG2 LYS A 43 31.693 23.632 38.086 1.00 20.00 H new ATOM 0 HG3 LYS A 43 31.807 22.673 36.623 1.00 20.00 H new ATOM 0 HD2 LYS A 43 33.419 21.131 37.691 1.00 20.00 H new ATOM 0 HD3 LYS A 43 33.502 22.143 39.119 1.00 20.00 H new ATOM 0 HE2 LYS A 43 31.024 21.745 39.489 1.00 20.00 H new ATOM 0 HE3 LYS A 43 31.029 20.645 38.125 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 31.342 19.229 39.861 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 32.958 19.531 39.433 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 32.268 20.329 40.764 1.00 20.00 H new ATOM 599 N GLY A 44 35.198 26.236 35.389 1.00 20.00 N ATOM 600 CA GLY A 44 36.405 27.064 35.410 1.00 20.00 C ATOM 601 C GLY A 44 37.631 26.401 34.779 1.00 20.00 C ATOM 602 O GLY A 44 38.749 26.813 35.082 1.00 20.00 O ATOM 0 H GLY A 44 35.055 25.745 34.507 1.00 20.00 H new ATOM 0 HA2 GLY A 44 36.201 27.998 34.886 1.00 20.00 H new ATOM 0 HA3 GLY A 44 36.637 27.322 36.443 1.00 20.00 H new ATOM 606 N GLY A 45 37.435 25.382 33.931 1.00 20.00 N ATOM 607 CA GLY A 45 38.482 24.638 33.246 1.00 20.00 C ATOM 608 C GLY A 45 39.196 25.434 32.150 1.00 20.00 C ATOM 609 O GLY A 45 39.181 26.666 32.137 1.00 20.00 O ATOM 0 H GLY A 45 36.500 25.045 33.699 1.00 20.00 H new ATOM 0 HA2 GLY A 45 39.218 24.308 33.979 1.00 20.00 H new ATOM 0 HA3 GLY A 45 38.047 23.741 32.805 1.00 20.00 H new ATOM 613 N GLU A 46 39.868 24.703 31.251 1.00 20.00 N ATOM 614 CA GLU A 46 40.750 25.242 30.219 1.00 20.00 C ATOM 615 C GLU A 46 40.565 24.482 28.901 1.00 20.00 C ATOM 616 O GLU A 46 40.466 23.253 28.898 1.00 20.00 O ATOM 617 CB GLU A 46 42.193 25.114 30.732 1.00 20.00 C ATOM 618 CG GLU A 46 43.261 25.540 29.723 1.00 20.00 C ATOM 619 CD GLU A 46 44.646 25.575 30.374 1.00 20.00 C ATOM 620 OE1 GLU A 46 45.314 26.624 30.250 1.00 20.00 O ATOM 621 OE2 GLU A 46 45.032 24.552 30.984 1.00 20.00 O ATOM 0 H GLU A 46 39.807 23.685 31.225 1.00 20.00 H new ATOM 0 HA GLU A 46 40.514 26.287 30.020 1.00 20.00 H new ATOM 0 HB2 GLU A 46 42.300 25.717 31.633 1.00 20.00 H new ATOM 0 HB3 GLU A 46 42.374 24.078 31.019 1.00 20.00 H new ATOM 0 HG2 GLU A 46 43.268 24.848 28.881 1.00 20.00 H new ATOM 0 HG3 GLU A 46 43.018 26.525 29.324 1.00 20.00 H new ATOM 628 N CYS A 47 40.592 25.227 27.784 1.00 20.00 N ATOM 629 CA CYS A 47 40.740 24.668 26.446 1.00 20.00 C ATOM 630 C CYS A 47 42.230 24.568 26.081 1.00 20.00 C ATOM 631 O CYS A 47 42.932 25.580 26.070 1.00 20.00 O ATOM 632 CB CYS A 47 39.966 25.493 25.402 1.00 20.00 C ATOM 633 SG CYS A 47 38.156 25.341 25.495 1.00 20.00 S ATOM 0 H CYS A 47 40.510 26.244 27.793 1.00 20.00 H new ATOM 0 HA CYS A 47 40.312 23.666 26.443 1.00 20.00 H new ATOM 0 HB2 CYS A 47 40.234 26.543 25.518 1.00 20.00 H new ATOM 0 HB3 CYS A 47 40.291 25.189 24.407 1.00 20.00 H new ATOM 638 N ASN A 48 42.700 23.353 25.761 1.00 20.00 N ATOM 639 CA ASN A 48 44.042 23.033 25.263 1.00 20.00 C ATOM 640 C ASN A 48 43.949 22.006 24.116 1.00 20.00 C ATOM 641 O ASN A 48 42.994 21.233 24.070 1.00 20.00 O ATOM 642 CB ASN A 48 44.914 22.488 26.411 1.00 20.00 C ATOM 643 CG ASN A 48 45.933 23.493 26.945 1.00 20.00 C ATOM 644 OD1 ASN A 48 47.136 23.258 26.874 1.00 20.00 O ATOM 645 ND2 ASN A 48 45.469 24.608 27.498 1.00 20.00 N ATOM 0 H ASN A 48 42.118 22.520 25.849 1.00 20.00 H new ATOM 0 HA ASN A 48 44.506 23.941 24.877 1.00 20.00 H new ATOM 0 HB2 ASN A 48 44.266 22.173 27.229 1.00 20.00 H new ATOM 0 HB3 ASN A 48 45.442 21.600 26.063 1.00 20.00 H new ATOM 0 HD21 ASN A 48 46.118 25.297 27.878 1.00 20.00 H new ATOM 0 HD22 ASN A 48 44.464 24.775 27.542 1.00 20.00 H new ATOM 652 N PRO A 49 44.943 21.960 23.207 1.00 20.00 N ATOM 653 CA PRO A 49 44.862 21.271 21.914 1.00 20.00 C ATOM 654 C PRO A 49 44.687 19.748 22.016 1.00 20.00 C ATOM 655 O PRO A 49 44.930 19.154 23.065 1.00 20.00 O ATOM 656 CB PRO A 49 46.157 21.645 21.179 1.00 20.00 C ATOM 657 CG PRO A 49 47.127 22.002 22.304 1.00 20.00 C ATOM 658 CD PRO A 49 46.213 22.656 23.332 1.00 20.00 C ATOM 0 HA PRO A 49 43.967 21.588 21.379 1.00 20.00 H new ATOM 0 HB2 PRO A 49 46.530 20.815 20.578 1.00 20.00 H new ATOM 0 HB3 PRO A 49 46.004 22.485 20.502 1.00 20.00 H new ATOM 0 HG2 PRO A 49 47.624 21.119 22.706 1.00 20.00 H new ATOM 0 HG3 PRO A 49 47.909 22.682 21.965 1.00 20.00 H new ATOM 0 HD2 PRO A 49 46.619 22.558 24.339 1.00 20.00 H new ATOM 0 HD3 PRO A 49 46.099 23.722 23.136 1.00 20.00 H new ATOM 666 N LEU A 50 44.299 19.116 20.896 1.00 20.00 N ATOM 667 CA LEU A 50 44.084 17.669 20.773 1.00 20.00 C ATOM 668 C LEU A 50 45.343 16.828 21.046 1.00 20.00 C ATOM 669 O LEU A 50 45.221 15.626 21.270 1.00 20.00 O ATOM 670 CB LEU A 50 43.533 17.342 19.369 1.00 20.00 C ATOM 671 CG LEU A 50 42.086 17.814 19.118 1.00 20.00 C ATOM 672 CD1 LEU A 50 41.754 17.702 17.626 1.00 20.00 C ATOM 673 CD2 LEU A 50 41.063 16.998 19.922 1.00 20.00 C ATOM 0 H LEU A 50 44.121 19.616 20.025 1.00 20.00 H new ATOM 0 HA LEU A 50 43.362 17.399 21.544 1.00 20.00 H new ATOM 0 HB2 LEU A 50 44.184 17.798 18.623 1.00 20.00 H new ATOM 0 HB3 LEU A 50 43.580 16.264 19.217 1.00 20.00 H new ATOM 0 HG LEU A 50 42.023 18.852 19.446 1.00 20.00 H new ATOM 0 HD11 LEU A 50 40.731 18.037 17.455 1.00 20.00 H new ATOM 0 HD12 LEU A 50 42.440 18.325 17.053 1.00 20.00 H new ATOM 0 HD13 LEU A 50 41.854 16.664 17.308 1.00 20.00 H new ATOM 0 HD21 LEU A 50 40.059 17.366 19.713 1.00 20.00 H new ATOM 0 HD22 LEU A 50 41.131 15.948 19.638 1.00 20.00 H new ATOM 0 HD23 LEU A 50 41.272 17.100 20.987 1.00 20.00 H new ATOM 685 N ASP A 51 46.531 17.445 21.056 1.00 20.00 N ATOM 686 CA ASP A 51 47.815 16.809 21.356 1.00 20.00 C ATOM 687 C ASP A 51 48.182 16.817 22.854 1.00 20.00 C ATOM 688 O ASP A 51 49.184 16.206 23.228 1.00 20.00 O ATOM 689 CB ASP A 51 48.916 17.510 20.545 1.00 20.00 C ATOM 690 CG ASP A 51 48.688 17.386 19.039 1.00 20.00 C ATOM 691 OD1 ASP A 51 48.278 18.398 18.431 1.00 20.00 O ATOM 692 OD2 ASP A 51 48.908 16.272 18.512 1.00 20.00 O ATOM 0 H ASP A 51 46.625 18.439 20.847 1.00 20.00 H new ATOM 0 HA ASP A 51 47.724 15.759 21.076 1.00 20.00 H new ATOM 0 HB2 ASP A 51 48.953 18.564 20.820 1.00 20.00 H new ATOM 0 HB3 ASP A 51 49.884 17.080 20.801 1.00 20.00 H new ATOM 697 N ARG A 52 47.400 17.497 23.712 1.00 20.00 N ATOM 698 CA ARG A 52 47.737 17.762 25.115 1.00 20.00 C ATOM 699 C ARG A 52 47.771 16.504 26.002 1.00 20.00 C ATOM 700 O ARG A 52 48.439 16.529 27.035 1.00 20.00 O ATOM 701 CB ARG A 52 46.751 18.812 25.668 1.00 20.00 C ATOM 702 CG ARG A 52 47.080 19.342 27.074 1.00 20.00 C ATOM 703 CD ARG A 52 48.412 20.096 27.124 1.00 20.00 C ATOM 704 NE ARG A 52 48.645 20.680 28.453 1.00 20.00 N ATOM 705 CZ ARG A 52 49.833 21.055 28.949 1.00 20.00 C ATOM 706 NH1 ARG A 52 50.959 20.961 28.239 1.00 20.00 N ATOM 707 NH2 ARG A 52 49.902 21.535 30.190 1.00 20.00 N ATOM 0 H ARG A 52 46.497 17.885 23.439 1.00 20.00 H new ATOM 0 HA ARG A 52 48.757 18.144 25.141 1.00 20.00 H new ATOM 0 HB2 ARG A 52 46.718 19.655 24.978 1.00 20.00 H new ATOM 0 HB3 ARG A 52 45.752 18.375 25.686 1.00 20.00 H new ATOM 0 HG2 ARG A 52 46.280 20.004 27.405 1.00 20.00 H new ATOM 0 HG3 ARG A 52 47.113 18.507 27.774 1.00 20.00 H new ATOM 0 HD2 ARG A 52 49.227 19.416 26.875 1.00 20.00 H new ATOM 0 HD3 ARG A 52 48.414 20.885 26.372 1.00 20.00 H new ATOM 0 HE ARG A 52 47.830 20.812 29.052 1.00 20.00 H new ATOM 0 HH11 ARG A 52 50.933 20.595 27.287 1.00 20.00 H new ATOM 0 HH12 ARG A 52 51.846 21.256 28.648 1.00 20.00 H new ATOM 0 HH21 ARG A 52 49.056 21.615 30.754 1.00 20.00 H new ATOM 0 HH22 ARG A 52 50.801 21.823 30.576 1.00 20.00 H new ATOM 721 N GLN A 53 47.089 15.415 25.608 1.00 20.00 N ATOM 722 CA GLN A 53 46.996 14.135 26.326 1.00 20.00 C ATOM 723 C GLN A 53 46.228 14.205 27.665 1.00 20.00 C ATOM 724 O GLN A 53 46.104 13.191 28.347 1.00 20.00 O ATOM 725 CB GLN A 53 48.409 13.526 26.461 1.00 20.00 C ATOM 726 CG GLN A 53 48.419 11.992 26.590 1.00 20.00 C ATOM 727 CD GLN A 53 49.837 11.412 26.604 1.00 20.00 C ATOM 728 OE1 GLN A 53 50.770 12.019 27.126 1.00 20.00 O ATOM 729 NE2 GLN A 53 50.009 10.220 26.037 1.00 20.00 N ATOM 0 H GLN A 53 46.561 15.405 24.735 1.00 20.00 H new ATOM 0 HA GLN A 53 46.378 13.465 25.728 1.00 20.00 H new ATOM 0 HB2 GLN A 53 49.001 13.811 25.591 1.00 20.00 H new ATOM 0 HB3 GLN A 53 48.898 13.957 27.335 1.00 20.00 H new ATOM 0 HG2 GLN A 53 47.904 11.705 27.506 1.00 20.00 H new ATOM 0 HG3 GLN A 53 47.861 11.558 25.761 1.00 20.00 H new ATOM 0 HE21 GLN A 53 49.217 9.739 25.611 1.00 20.00 H new ATOM 0 HE22 GLN A 53 50.933 9.788 26.028 1.00 20.00 H new ATOM 738 N CYS A 54 45.695 15.380 28.031 1.00 20.00 N ATOM 739 CA CYS A 54 45.014 15.665 29.293 1.00 20.00 C ATOM 740 C CYS A 54 43.724 14.837 29.459 1.00 20.00 C ATOM 741 O CYS A 54 43.762 13.750 30.040 1.00 20.00 O ATOM 742 CB CYS A 54 44.766 17.180 29.364 1.00 20.00 C ATOM 743 SG CYS A 54 44.071 17.785 30.917 1.00 20.00 S ATOM 0 H CYS A 54 45.732 16.196 27.420 1.00 20.00 H new ATOM 0 HA CYS A 54 45.643 15.365 30.131 1.00 20.00 H new ATOM 0 HB2 CYS A 54 45.711 17.693 29.185 1.00 20.00 H new ATOM 0 HB3 CYS A 54 44.093 17.458 28.553 1.00 20.00 H new ATOM 748 N LYS A 55 42.591 15.350 28.954 1.00 20.00 N ATOM 749 CA LYS A 55 41.286 14.705 28.917 1.00 20.00 C ATOM 750 C LYS A 55 40.474 15.279 27.746 1.00 20.00 C ATOM 751 O LYS A 55 40.771 16.372 27.264 1.00 20.00 O ATOM 752 CB LYS A 55 40.575 14.980 30.252 1.00 20.00 C ATOM 753 CG LYS A 55 39.428 13.996 30.526 1.00 20.00 C ATOM 754 CD LYS A 55 38.534 14.494 31.661 1.00 20.00 C ATOM 755 CE LYS A 55 37.302 13.602 31.865 1.00 20.00 C ATOM 756 NZ LYS A 55 37.659 12.222 32.232 1.00 20.00 N ATOM 0 H LYS A 55 42.569 16.281 28.538 1.00 20.00 H new ATOM 0 HA LYS A 55 41.389 13.629 28.775 1.00 20.00 H new ATOM 0 HB2 LYS A 55 41.300 14.922 31.064 1.00 20.00 H new ATOM 0 HB3 LYS A 55 40.183 15.997 30.247 1.00 20.00 H new ATOM 0 HG2 LYS A 55 38.834 13.865 29.622 1.00 20.00 H new ATOM 0 HG3 LYS A 55 39.837 13.019 30.783 1.00 20.00 H new ATOM 0 HD2 LYS A 55 39.110 14.531 32.585 1.00 20.00 H new ATOM 0 HD3 LYS A 55 38.211 15.513 31.446 1.00 20.00 H new ATOM 0 HE2 LYS A 55 36.672 14.031 32.645 1.00 20.00 H new ATOM 0 HE3 LYS A 55 36.711 13.590 30.949 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 36.793 11.674 32.408 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 38.194 11.784 31.455 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 38.243 12.232 33.093 1.00 20.00 H new ATOM 770 N GLU A 56 39.429 14.552 27.331 1.00 20.00 N ATOM 771 CA GLU A 56 38.465 14.918 26.299 1.00 20.00 C ATOM 772 C GLU A 56 37.042 14.766 26.845 1.00 20.00 C ATOM 773 O GLU A 56 36.740 13.805 27.553 1.00 20.00 O ATOM 774 CB GLU A 56 38.708 14.011 25.080 1.00 20.00 C ATOM 775 CG GLU A 56 37.720 14.220 23.920 1.00 20.00 C ATOM 776 CD GLU A 56 37.964 13.242 22.766 1.00 20.00 C ATOM 777 OE1 GLU A 56 38.190 12.042 23.044 1.00 20.00 O ATOM 778 OE2 GLU A 56 37.893 13.697 21.604 1.00 20.00 O ATOM 0 H GLU A 56 39.226 13.638 27.735 1.00 20.00 H new ATOM 0 HA GLU A 56 38.587 15.959 25.998 1.00 20.00 H new ATOM 0 HB2 GLU A 56 39.720 14.181 24.713 1.00 20.00 H new ATOM 0 HB3 GLU A 56 38.656 12.971 25.401 1.00 20.00 H new ATOM 0 HG2 GLU A 56 36.701 14.099 24.287 1.00 20.00 H new ATOM 0 HG3 GLU A 56 37.806 15.242 23.552 1.00 20.00 H new ATOM 785 N LEU A 57 36.175 15.711 26.462 1.00 20.00 N ATOM 786 CA LEU A 57 34.754 15.771 26.791 1.00 20.00 C ATOM 787 C LEU A 57 33.977 16.234 25.553 1.00 20.00 C ATOM 788 O LEU A 57 34.004 17.420 25.240 1.00 20.00 O ATOM 789 CB LEU A 57 34.495 16.787 27.923 1.00 20.00 C ATOM 790 CG LEU A 57 35.079 16.510 29.318 1.00 20.00 C ATOM 791 CD1 LEU A 57 34.600 17.625 30.256 1.00 20.00 C ATOM 792 CD2 LEU A 57 34.620 15.172 29.909 1.00 20.00 C ATOM 0 H LEU A 57 36.467 16.497 25.881 1.00 20.00 H new ATOM 0 HA LEU A 57 34.432 14.781 27.113 1.00 20.00 H new ATOM 0 HB2 LEU A 57 34.876 17.753 27.592 1.00 20.00 H new ATOM 0 HB3 LEU A 57 33.415 16.891 28.032 1.00 20.00 H new ATOM 0 HG LEU A 57 36.164 16.472 29.220 1.00 20.00 H new ATOM 0 HD11 LEU A 57 34.999 17.456 31.256 1.00 20.00 H new ATOM 0 HD12 LEU A 57 34.949 18.588 29.884 1.00 20.00 H new ATOM 0 HD13 LEU A 57 33.511 17.625 30.295 1.00 20.00 H new ATOM 0 HD21 LEU A 57 35.067 15.037 30.894 1.00 20.00 H new ATOM 0 HD22 LEU A 57 33.534 15.168 30.000 1.00 20.00 H new ATOM 0 HD23 LEU A 57 34.932 14.359 29.254 1.00 20.00 H new ATOM 804 N GLN A 58 33.260 15.352 24.850 1.00 20.00 N ATOM 805 CA GLN A 58 32.402 15.778 23.736 1.00 20.00 C ATOM 806 C GLN A 58 31.246 16.703 24.170 1.00 20.00 C ATOM 807 O GLN A 58 30.743 17.459 23.338 1.00 20.00 O ATOM 808 CB GLN A 58 31.893 14.565 22.942 1.00 20.00 C ATOM 809 CG GLN A 58 31.135 13.527 23.791 1.00 20.00 C ATOM 810 CD GLN A 58 30.704 12.290 22.997 1.00 20.00 C ATOM 811 OE1 GLN A 58 31.201 12.014 21.907 1.00 20.00 O ATOM 812 NE2 GLN A 58 29.786 11.509 23.562 1.00 20.00 N ATOM 0 H GLN A 58 33.255 14.348 25.029 1.00 20.00 H new ATOM 0 HA GLN A 58 33.027 16.382 23.078 1.00 20.00 H new ATOM 0 HB2 GLN A 58 31.236 14.916 22.146 1.00 20.00 H new ATOM 0 HB3 GLN A 58 32.742 14.076 22.463 1.00 20.00 H new ATOM 0 HG2 GLN A 58 31.769 13.214 24.621 1.00 20.00 H new ATOM 0 HG3 GLN A 58 30.252 13.997 24.224 1.00 20.00 H new ATOM 0 HE21 GLN A 58 29.389 11.761 24.467 1.00 20.00 H new ATOM 0 HE22 GLN A 58 29.479 10.659 23.090 1.00 20.00 H new ATOM 821 N ALA A 59 30.862 16.692 25.457 1.00 20.00 N ATOM 822 CA ALA A 59 29.835 17.561 26.029 1.00 20.00 C ATOM 823 C ALA A 59 30.301 19.012 26.263 1.00 20.00 C ATOM 824 O ALA A 59 29.454 19.885 26.450 1.00 20.00 O ATOM 825 CB ALA A 59 29.367 16.952 27.357 1.00 20.00 C ATOM 0 H ALA A 59 31.273 16.058 26.143 1.00 20.00 H new ATOM 0 HA ALA A 59 29.024 17.619 25.303 1.00 20.00 H new ATOM 0 HB1 ALA A 59 28.600 17.588 27.799 1.00 20.00 H new ATOM 0 HB2 ALA A 59 28.956 15.959 27.177 1.00 20.00 H new ATOM 0 HB3 ALA A 59 30.213 16.876 28.040 1.00 20.00 H new ATOM 831 N GLU A 60 31.617 19.280 26.251 1.00 20.00 N ATOM 832 CA GLU A 60 32.214 20.558 26.660 1.00 20.00 C ATOM 833 C GLU A 60 33.191 21.099 25.614 1.00 20.00 C ATOM 834 O GLU A 60 33.168 22.290 25.307 1.00 20.00 O ATOM 835 CB GLU A 60 32.946 20.383 27.994 1.00 20.00 C ATOM 836 CG GLU A 60 31.997 20.177 29.176 1.00 20.00 C ATOM 837 CD GLU A 60 31.253 21.453 29.566 1.00 20.00 C ATOM 838 OE1 GLU A 60 31.879 22.292 30.250 1.00 20.00 O ATOM 839 OE2 GLU A 60 30.060 21.567 29.204 1.00 20.00 O ATOM 0 H GLU A 60 32.311 18.596 25.949 1.00 20.00 H new ATOM 0 HA GLU A 60 31.403 21.279 26.764 1.00 20.00 H new ATOM 0 HB2 GLU A 60 33.619 19.529 27.923 1.00 20.00 H new ATOM 0 HB3 GLU A 60 33.564 21.261 28.181 1.00 20.00 H new ATOM 0 HG2 GLU A 60 31.273 19.402 28.924 1.00 20.00 H new ATOM 0 HG3 GLU A 60 32.565 19.816 30.034 1.00 20.00 H new ATOM 846 N SER A 61 34.056 20.225 25.086 1.00 20.00 N ATOM 847 CA SER A 61 35.161 20.568 24.194 1.00 20.00 C ATOM 848 C SER A 61 34.699 21.098 22.840 1.00 20.00 C ATOM 849 O SER A 61 35.409 21.903 22.238 1.00 20.00 O ATOM 850 CB SER A 61 36.071 19.356 23.935 1.00 20.00 C ATOM 851 OG SER A 61 36.463 18.713 25.125 1.00 20.00 O ATOM 0 H SER A 61 34.001 19.225 25.277 1.00 20.00 H new ATOM 0 HA SER A 61 35.706 21.356 24.713 1.00 20.00 H new ATOM 0 HB2 SER A 61 35.549 18.644 23.296 1.00 20.00 H new ATOM 0 HB3 SER A 61 36.958 19.681 23.392 1.00 20.00 H new ATOM 0 HG SER A 61 35.700 18.225 25.499 1.00 20.00 H new ATOM 857 N ALA A 62 33.517 20.663 22.380 1.00 20.00 N ATOM 858 CA ALA A 62 32.908 21.063 21.118 1.00 20.00 C ATOM 859 C ALA A 62 32.556 22.563 21.068 1.00 20.00 C ATOM 860 O ALA A 62 32.337 23.091 19.979 1.00 20.00 O ATOM 861 CB ALA A 62 31.671 20.183 20.887 1.00 20.00 C ATOM 0 H ALA A 62 32.944 19.999 22.901 1.00 20.00 H new ATOM 0 HA ALA A 62 33.631 20.916 20.316 1.00 20.00 H new ATOM 0 HB1 ALA A 62 31.196 20.463 19.947 1.00 20.00 H new ATOM 0 HB2 ALA A 62 31.972 19.136 20.844 1.00 20.00 H new ATOM 0 HB3 ALA A 62 30.966 20.324 21.706 1.00 20.00 H new ATOM 867 N SER A 63 32.541 23.256 22.220 1.00 20.00 N ATOM 868 CA SER A 63 32.352 24.700 22.340 1.00 20.00 C ATOM 869 C SER A 63 33.548 25.475 21.775 1.00 20.00 C ATOM 870 O SER A 63 33.355 26.360 20.941 1.00 20.00 O ATOM 871 CB SER A 63 32.146 25.065 23.810 1.00 20.00 C ATOM 872 OG SER A 63 30.968 24.468 24.309 1.00 20.00 O ATOM 0 H SER A 63 32.666 22.801 23.125 1.00 20.00 H new ATOM 0 HA SER A 63 31.472 24.977 21.760 1.00 20.00 H new ATOM 0 HB2 SER A 63 33.004 24.735 24.396 1.00 20.00 H new ATOM 0 HB3 SER A 63 32.085 26.148 23.916 1.00 20.00 H new ATOM 0 HG SER A 63 30.467 25.124 24.837 1.00 20.00 H new ATOM 878 N CYS A 64 34.773 25.127 22.203 1.00 20.00 N ATOM 879 CA CYS A 64 36.016 25.605 21.597 1.00 20.00 C ATOM 880 C CYS A 64 36.221 25.016 20.190 1.00 20.00 C ATOM 881 O CYS A 64 36.842 25.669 19.354 1.00 20.00 O ATOM 882 CB CYS A 64 37.197 25.258 22.516 1.00 20.00 C ATOM 883 SG CYS A 64 37.393 26.403 23.919 1.00 20.00 S ATOM 0 H CYS A 64 34.924 24.497 22.991 1.00 20.00 H new ATOM 0 HA CYS A 64 35.955 26.687 21.483 1.00 20.00 H new ATOM 0 HB2 CYS A 64 37.063 24.247 22.900 1.00 20.00 H new ATOM 0 HB3 CYS A 64 38.115 25.257 21.928 1.00 20.00 H new ATOM 888 N GLY A 65 35.656 23.830 19.916 1.00 20.00 N ATOM 889 CA GLY A 65 35.599 23.197 18.604 1.00 20.00 C ATOM 890 C GLY A 65 36.447 21.927 18.508 1.00 20.00 C ATOM 891 O GLY A 65 37.085 21.501 19.473 1.00 20.00 O ATOM 0 H GLY A 65 35.209 23.267 20.640 1.00 20.00 H new ATOM 0 HA2 GLY A 65 34.563 22.952 18.371 1.00 20.00 H new ATOM 0 HA3 GLY A 65 35.936 23.908 17.850 1.00 20.00 H new ATOM 895 N LYS A 66 36.430 21.333 17.306 1.00 20.00 N ATOM 896 CA LYS A 66 37.128 20.113 16.885 1.00 20.00 C ATOM 897 C LYS A 66 38.634 20.332 16.629 1.00 20.00 C ATOM 898 O LYS A 66 39.196 19.849 15.645 1.00 20.00 O ATOM 899 CB LYS A 66 36.376 19.500 15.682 1.00 20.00 C ATOM 900 CG LYS A 66 36.246 20.431 14.457 1.00 20.00 C ATOM 901 CD LYS A 66 35.308 19.902 13.359 1.00 20.00 C ATOM 902 CE LYS A 66 35.918 18.844 12.430 1.00 20.00 C ATOM 903 NZ LYS A 66 36.044 17.518 13.063 1.00 20.00 N ATOM 0 H LYS A 66 35.882 21.727 16.541 1.00 20.00 H new ATOM 0 HA LYS A 66 37.111 19.394 17.704 1.00 20.00 H new ATOM 0 HB2 LYS A 66 36.891 18.589 15.376 1.00 20.00 H new ATOM 0 HB3 LYS A 66 35.377 19.208 16.006 1.00 20.00 H new ATOM 0 HG2 LYS A 66 35.884 21.403 14.791 1.00 20.00 H new ATOM 0 HG3 LYS A 66 37.236 20.589 14.028 1.00 20.00 H new ATOM 0 HD2 LYS A 66 34.423 19.478 13.833 1.00 20.00 H new ATOM 0 HD3 LYS A 66 34.973 20.744 12.753 1.00 20.00 H new ATOM 0 HE2 LYS A 66 35.301 18.755 11.536 1.00 20.00 H new ATOM 0 HE3 LYS A 66 36.903 19.179 12.105 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 35.962 16.778 12.337 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 36.970 17.443 13.531 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 35.289 17.397 13.768 1.00 20.00 H new ATOM 917 N GLY A 67 39.282 21.045 17.556 1.00 20.00 N ATOM 918 CA GLY A 67 40.706 21.341 17.595 1.00 20.00 C ATOM 919 C GLY A 67 41.279 21.347 19.019 1.00 20.00 C ATOM 920 O GLY A 67 42.490 21.513 19.161 1.00 20.00 O ATOM 0 H GLY A 67 38.787 21.455 18.348 1.00 20.00 H new ATOM 0 HA2 GLY A 67 41.241 20.603 16.997 1.00 20.00 H new ATOM 0 HA3 GLY A 67 40.882 22.313 17.134 1.00 20.00 H new ATOM 924 N GLN A 68 40.447 21.146 20.060 1.00 20.00 N ATOM 925 CA GLN A 68 40.871 21.063 21.455 1.00 20.00 C ATOM 926 C GLN A 68 40.173 19.894 22.185 1.00 20.00 C ATOM 927 O GLN A 68 39.251 19.272 21.655 1.00 20.00 O ATOM 928 CB GLN A 68 40.674 22.454 22.100 1.00 20.00 C ATOM 929 CG GLN A 68 39.349 22.687 22.821 1.00 20.00 C ATOM 930 CD GLN A 68 39.271 22.194 24.260 1.00 20.00 C ATOM 931 OE1 GLN A 68 40.275 21.980 24.923 1.00 20.00 O ATOM 932 NE2 GLN A 68 38.062 22.043 24.780 1.00 20.00 N ATOM 0 H GLN A 68 39.440 21.035 19.942 1.00 20.00 H new ATOM 0 HA GLN A 68 41.930 20.819 21.535 1.00 20.00 H new ATOM 0 HB2 GLN A 68 41.483 22.618 22.811 1.00 20.00 H new ATOM 0 HB3 GLN A 68 40.776 23.209 21.321 1.00 20.00 H new ATOM 0 HG2 GLN A 68 39.138 23.756 22.813 1.00 20.00 H new ATOM 0 HG3 GLN A 68 38.558 22.202 22.249 1.00 20.00 H new ATOM 0 HE21 GLN A 68 37.236 22.226 24.211 1.00 20.00 H new ATOM 0 HE22 GLN A 68 37.958 21.743 25.749 1.00 20.00 H new ATOM 941 N LYS A 69 40.623 19.613 23.415 1.00 20.00 N ATOM 942 CA LYS A 69 40.095 18.613 24.347 1.00 20.00 C ATOM 943 C LYS A 69 40.196 19.121 25.798 1.00 20.00 C ATOM 944 O LYS A 69 41.272 19.477 26.281 1.00 20.00 O ATOM 945 CB LYS A 69 40.782 17.256 24.130 1.00 20.00 C ATOM 946 CG LYS A 69 42.318 17.270 24.261 1.00 20.00 C ATOM 947 CD LYS A 69 42.958 15.909 23.952 1.00 20.00 C ATOM 948 CE LYS A 69 42.766 14.919 25.105 1.00 20.00 C ATOM 949 NZ LYS A 69 43.291 13.587 24.758 1.00 20.00 N ATOM 0 H LYS A 69 41.419 20.113 23.810 1.00 20.00 H new ATOM 0 HA LYS A 69 39.035 18.456 24.147 1.00 20.00 H new ATOM 0 HB2 LYS A 69 40.378 16.543 24.849 1.00 20.00 H new ATOM 0 HB3 LYS A 69 40.521 16.889 23.137 1.00 20.00 H new ATOM 0 HG2 LYS A 69 42.728 18.020 23.585 1.00 20.00 H new ATOM 0 HG3 LYS A 69 42.588 17.571 25.273 1.00 20.00 H new ATOM 0 HD2 LYS A 69 42.519 15.498 23.043 1.00 20.00 H new ATOM 0 HD3 LYS A 69 44.023 16.042 23.760 1.00 20.00 H new ATOM 0 HE2 LYS A 69 43.272 15.291 25.995 1.00 20.00 H new ATOM 0 HE3 LYS A 69 41.706 14.843 25.349 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 43.147 12.938 25.558 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 42.790 13.223 23.922 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 44.307 13.658 24.549 1.00 20.00 H new ATOM 963 N CYS A 70 39.037 19.215 26.463 1.00 20.00 N ATOM 964 CA CYS A 70 38.841 19.936 27.723 1.00 20.00 C ATOM 965 C CYS A 70 39.293 19.111 28.934 1.00 20.00 C ATOM 966 O CYS A 70 38.824 17.990 29.134 1.00 20.00 O ATOM 967 CB CYS A 70 37.367 20.356 27.869 1.00 20.00 C ATOM 968 SG CYS A 70 37.160 21.916 28.779 1.00 20.00 S ATOM 0 H CYS A 70 38.181 18.775 26.125 1.00 20.00 H new ATOM 0 HA CYS A 70 39.465 20.829 27.694 1.00 20.00 H new ATOM 0 HB2 CYS A 70 36.924 20.458 26.878 1.00 20.00 H new ATOM 0 HB3 CYS A 70 36.819 19.566 28.383 1.00 20.00 H new ATOM 973 N CYS A 71 40.183 19.695 29.749 1.00 20.00 N ATOM 974 CA CYS A 71 40.756 19.086 30.951 1.00 20.00 C ATOM 975 C CYS A 71 39.785 18.957 32.143 1.00 20.00 C ATOM 976 O CYS A 71 40.115 18.264 33.107 1.00 20.00 O ATOM 977 CB CYS A 71 41.969 19.920 31.388 1.00 20.00 C ATOM 978 SG CYS A 71 43.509 19.691 30.461 1.00 20.00 S ATOM 0 H CYS A 71 40.534 20.638 29.581 1.00 20.00 H new ATOM 0 HA CYS A 71 41.025 18.066 30.676 1.00 20.00 H new ATOM 0 HB2 CYS A 71 41.693 20.973 31.330 1.00 20.00 H new ATOM 0 HB3 CYS A 71 42.170 19.700 32.437 1.00 20.00 H new ATOM 983 N VAL A 72 38.617 19.615 32.102 1.00 20.00 N ATOM 984 CA VAL A 72 37.661 19.683 33.217 1.00 20.00 C ATOM 985 C VAL A 72 36.946 18.335 33.451 1.00 20.00 C ATOM 986 O VAL A 72 37.082 17.407 32.656 1.00 20.00 O ATOM 987 CB VAL A 72 36.707 20.887 32.995 1.00 20.00 C ATOM 988 CG1 VAL A 72 35.593 20.615 31.974 1.00 20.00 C ATOM 989 CG2 VAL A 72 36.095 21.419 34.301 1.00 20.00 C ATOM 0 H VAL A 72 38.304 20.125 31.276 1.00 20.00 H new ATOM 0 HA VAL A 72 38.194 19.862 34.151 1.00 20.00 H new ATOM 0 HB VAL A 72 37.354 21.659 32.578 1.00 20.00 H new ATOM 0 HG11 VAL A 72 34.968 21.502 31.873 1.00 20.00 H new ATOM 0 HG12 VAL A 72 36.036 20.371 31.008 1.00 20.00 H new ATOM 0 HG13 VAL A 72 34.983 19.778 32.315 1.00 20.00 H new ATOM 0 HG21 VAL A 72 35.438 22.260 34.079 1.00 20.00 H new ATOM 0 HG22 VAL A 72 35.521 20.627 34.783 1.00 20.00 H new ATOM 0 HG23 VAL A 72 36.891 21.748 34.969 1.00 20.00 H new ATOM 999 N TRP A 73 36.180 18.232 34.546 1.00 20.00 N ATOM 1000 CA TRP A 73 35.399 17.057 34.941 1.00 20.00 C ATOM 1001 C TRP A 73 33.913 17.411 35.106 1.00 20.00 C ATOM 1002 O TRP A 73 33.516 18.563 34.933 1.00 20.00 O ATOM 1003 CB TRP A 73 35.987 16.461 36.236 1.00 20.00 C ATOM 1004 CG TRP A 73 37.446 16.112 36.215 1.00 20.00 C ATOM 1005 CD1 TRP A 73 38.088 15.467 35.209 1.00 20.00 C ATOM 1006 CD2 TRP A 73 38.467 16.366 37.230 1.00 20.00 C ATOM 1007 NE1 TRP A 73 39.419 15.332 35.513 1.00 20.00 N ATOM 1008 CE2 TRP A 73 39.718 15.867 36.752 1.00 20.00 C ATOM 1009 CE3 TRP A 73 38.460 16.963 38.505 1.00 20.00 C ATOM 1010 CZ2 TRP A 73 40.898 15.969 37.495 1.00 20.00 C ATOM 1011 CZ3 TRP A 73 39.646 17.073 39.265 1.00 20.00 C ATOM 1012 CH2 TRP A 73 40.859 16.581 38.764 1.00 20.00 C ATOM 0 H TRP A 73 36.085 19.002 35.209 1.00 20.00 H new ATOM 0 HA TRP A 73 35.460 16.306 34.153 1.00 20.00 H new ATOM 0 HB2 TRP A 73 35.819 17.172 37.045 1.00 20.00 H new ATOM 0 HB3 TRP A 73 35.425 15.560 36.482 1.00 20.00 H new ATOM 0 HD1 TRP A 73 37.620 15.112 34.302 1.00 20.00 H new ATOM 0 HE1 TRP A 73 40.104 14.891 34.900 1.00 20.00 H new ATOM 0 HE3 TRP A 73 37.533 17.343 38.909 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 41.827 15.584 37.102 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 39.618 17.539 40.239 1.00 20.00 H new ATOM 0 HH2 TRP A 73 41.762 16.671 39.349 1.00 20.00 H new ATOM 1023 N LEU A 74 33.095 16.402 35.442 1.00 20.00 N ATOM 1024 CA LEU A 74 31.652 16.504 35.664 1.00 20.00 C ATOM 1025 C LEU A 74 31.282 15.919 37.036 1.00 20.00 C ATOM 1026 O LEU A 74 32.034 15.122 37.602 1.00 20.00 O ATOM 1027 CB LEU A 74 30.897 15.787 34.530 1.00 20.00 C ATOM 1028 CG LEU A 74 30.987 16.484 33.151 1.00 20.00 C ATOM 1029 CD1 LEU A 74 30.529 15.527 32.043 1.00 20.00 C ATOM 1030 CD2 LEU A 74 30.109 17.753 33.096 1.00 20.00 C ATOM 0 H LEU A 74 33.441 15.451 35.571 1.00 20.00 H new ATOM 0 HA LEU A 74 31.360 17.554 35.659 1.00 20.00 H new ATOM 0 HB2 LEU A 74 31.288 14.774 34.436 1.00 20.00 H new ATOM 0 HB3 LEU A 74 29.847 15.699 34.810 1.00 20.00 H new ATOM 0 HG LEU A 74 32.029 16.768 33.001 1.00 20.00 H new ATOM 0 HD11 LEU A 74 30.597 16.029 31.078 1.00 20.00 H new ATOM 0 HD12 LEU A 74 31.167 14.644 32.038 1.00 20.00 H new ATOM 0 HD13 LEU A 74 29.497 15.228 32.224 1.00 20.00 H new ATOM 0 HD21 LEU A 74 30.198 18.215 32.113 1.00 20.00 H new ATOM 0 HD22 LEU A 74 29.068 17.484 33.277 1.00 20.00 H new ATOM 0 HD23 LEU A 74 30.440 18.458 33.859 1.00 20.00 H new ATOM 1042 N HIS A 75 30.105 16.331 37.536 1.00 20.00 N ATOM 1043 CA HIS A 75 29.548 16.116 38.875 1.00 20.00 C ATOM 1044 C HIS A 75 30.554 16.337 40.019 1.00 20.00 C ATOM 1045 O HIS A 75 30.538 17.467 40.562 1.00 20.00 O ATOM 1046 CB HIS A 75 28.735 14.810 38.957 1.00 20.00 C ATOM 1047 CG HIS A 75 29.487 13.519 38.747 1.00 20.00 C ATOM 1048 ND1 HIS A 75 29.687 12.881 37.537 1.00 20.00 N ATOM 1049 CD2 HIS A 75 30.028 12.738 39.731 1.00 20.00 C ATOM 1050 CE1 HIS A 75 30.358 11.740 37.785 1.00 20.00 C ATOM 1051 NE2 HIS A 75 30.580 11.636 39.109 1.00 20.00 N ATOM 1052 OXT HIS A 75 31.312 15.409 40.364 1.00 20.00 O ATOM 0 H HIS A 75 29.463 16.872 36.957 1.00 20.00 H new ATOM 0 HA HIS A 75 28.824 16.914 39.042 1.00 20.00 H new ATOM 0 HB2 HIS A 75 28.259 14.769 39.937 1.00 20.00 H new ATOM 0 HB3 HIS A 75 27.937 14.861 38.216 1.00 20.00 H new ATOM 0 HD2 HIS A 75 30.024 12.944 40.791 1.00 20.00 H new ATOM 0 HE1 HIS A 75 30.669 11.022 37.040 1.00 20.00 H new ATOM 0 HE2 HIS A 75 31.072 10.873 39.573 1.00 20.00 H new TER 1061 HIS A 75