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 48 ASN : amide:sc= -0.982 K(o=-1.5,f=-5.6) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 179:sc= -0.486 (180deg=-0.184) USER MOD Single : A 1 ASN : amide:sc=-0.00364 K(o=-0.0036,f=-1.1) USER MOD Single : A 1 ASN N :NH3+ -106:sc= 0.0248 (180deg=-0.00103) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ -151:sc= 0.663 (180deg=0.33) 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=-0.06) USER MOD Single : A 23 SER OG : rot -40:sc= 0.0901 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 112:sc= 0.905 USER MOD Single : A 35 SER OG : rot -37:sc= 0.164 USER MOD Single : A 36 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00105) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 168:sc= -0.0306 (180deg=-0.211) 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=-0.12) USER MOD Single : A 61 SER OG : rot 98:sc= -0.173 USER MOD Single : A 63 SER OG : rot 76:sc= 0.812 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.523 K(o=-0.52,f=-4.4) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 9.554 32.712 22.962 1.00 20.00 N ATOM 2 CA ASN A 1 10.975 33.098 22.838 1.00 20.00 C ATOM 3 C ASN A 1 11.852 31.872 22.578 1.00 20.00 C ATOM 4 O ASN A 1 11.549 30.778 23.057 1.00 20.00 O ATOM 5 CB ASN A 1 11.455 33.880 24.073 1.00 20.00 C ATOM 6 CG ASN A 1 10.768 35.242 24.221 1.00 20.00 C ATOM 7 OD1 ASN A 1 10.099 35.721 23.309 1.00 20.00 O ATOM 8 ND2 ASN A 1 10.935 35.888 25.373 1.00 20.00 N ATOM 0 H1 ASN A 1 9.041 32.996 22.103 1.00 20.00 H new ATOM 0 H2 ASN A 1 9.483 31.681 23.082 1.00 20.00 H new ATOM 0 H3 ASN A 1 9.136 33.186 23.788 1.00 20.00 H new ATOM 0 HA ASN A 1 11.066 33.763 21.979 1.00 20.00 H new ATOM 0 HB2 ASN A 1 11.269 33.286 24.968 1.00 20.00 H new ATOM 0 HB3 ASN A 1 12.533 34.028 24.007 1.00 20.00 H new ATOM 0 HD21 ASN A 1 10.503 36.801 25.513 1.00 20.00 H new ATOM 0 HD22 ASN A 1 11.495 35.470 26.116 1.00 20.00 H new ATOM 17 N GLU A 2 12.934 32.076 21.815 1.00 20.00 N ATOM 18 CA GLU A 2 13.843 31.019 21.367 1.00 20.00 C ATOM 19 C GLU A 2 15.282 31.288 21.819 1.00 20.00 C ATOM 20 O GLU A 2 15.941 30.377 22.314 1.00 20.00 O ATOM 21 CB GLU A 2 13.741 30.898 19.842 1.00 20.00 C ATOM 22 CG GLU A 2 14.464 29.649 19.318 1.00 20.00 C ATOM 23 CD GLU A 2 13.843 28.321 19.757 1.00 20.00 C ATOM 24 OE1 GLU A 2 12.615 28.286 19.993 1.00 20.00 O ATOM 25 OE2 GLU A 2 14.609 27.335 19.831 1.00 20.00 O ATOM 0 H GLU A 2 13.206 33.002 21.486 1.00 20.00 H new ATOM 0 HA GLU A 2 13.552 30.072 21.822 1.00 20.00 H new ATOM 0 HB2 GLU A 2 12.692 30.859 19.550 1.00 20.00 H new ATOM 0 HB3 GLU A 2 14.168 31.787 19.378 1.00 20.00 H new ATOM 0 HG2 GLU A 2 14.480 29.685 18.229 1.00 20.00 H new ATOM 0 HG3 GLU A 2 15.501 29.678 19.653 1.00 20.00 H new ATOM 32 N CYS A 3 15.751 32.535 21.683 1.00 20.00 N ATOM 33 CA CYS A 3 17.077 32.980 22.100 1.00 20.00 C ATOM 34 C CYS A 3 17.296 32.742 23.599 1.00 20.00 C ATOM 35 O CYS A 3 18.244 32.062 23.991 1.00 20.00 O ATOM 36 CB CYS A 3 17.220 34.469 21.770 1.00 20.00 C ATOM 37 SG CYS A 3 18.834 35.157 22.206 1.00 20.00 S ATOM 0 H CYS A 3 15.196 33.282 21.266 1.00 20.00 H new ATOM 0 HA CYS A 3 17.832 32.405 21.565 1.00 20.00 H new ATOM 0 HB2 CYS A 3 17.049 34.614 20.703 1.00 20.00 H new ATOM 0 HB3 CYS A 3 16.444 35.025 22.296 1.00 20.00 H new ATOM 42 N VAL A 4 16.401 33.301 24.423 1.00 20.00 N ATOM 43 CA VAL A 4 16.431 33.237 25.883 1.00 20.00 C ATOM 44 C VAL A 4 16.059 31.830 26.381 1.00 20.00 C ATOM 45 O VAL A 4 16.547 31.411 27.429 1.00 20.00 O ATOM 46 CB VAL A 4 15.485 34.317 26.458 1.00 20.00 C ATOM 47 CG1 VAL A 4 15.551 34.368 27.993 1.00 20.00 C ATOM 48 CG2 VAL A 4 15.836 35.715 25.920 1.00 20.00 C ATOM 0 H VAL A 4 15.604 33.832 24.072 1.00 20.00 H new ATOM 0 HA VAL A 4 17.443 33.437 26.234 1.00 20.00 H new ATOM 0 HB VAL A 4 14.479 34.040 26.142 1.00 20.00 H new ATOM 0 HG11 VAL A 4 14.873 35.138 28.361 1.00 20.00 H new ATOM 0 HG12 VAL A 4 15.258 33.401 28.402 1.00 20.00 H new ATOM 0 HG13 VAL A 4 16.569 34.601 28.306 1.00 20.00 H new ATOM 0 HG21 VAL A 4 15.152 36.450 26.344 1.00 20.00 H new ATOM 0 HG22 VAL A 4 16.859 35.967 26.201 1.00 20.00 H new ATOM 0 HG23 VAL A 4 15.746 35.720 24.834 1.00 20.00 H new ATOM 58 N SER A 5 15.246 31.084 25.616 1.00 20.00 N ATOM 59 CA SER A 5 14.889 29.696 25.903 1.00 20.00 C ATOM 60 C SER A 5 16.101 28.762 25.782 1.00 20.00 C ATOM 61 O SER A 5 16.252 27.863 26.609 1.00 20.00 O ATOM 62 CB SER A 5 13.767 29.263 24.954 1.00 20.00 C ATOM 63 OG SER A 5 13.325 27.960 25.263 1.00 20.00 O ATOM 0 H SER A 5 14.813 31.441 24.765 1.00 20.00 H new ATOM 0 HA SER A 5 14.542 29.629 26.934 1.00 20.00 H new ATOM 0 HB2 SER A 5 12.933 29.961 25.027 1.00 20.00 H new ATOM 0 HB3 SER A 5 14.122 29.297 23.924 1.00 20.00 H new ATOM 0 HG SER A 5 12.608 27.703 24.647 1.00 20.00 H new ATOM 69 N LYS A 6 16.980 29.000 24.794 1.00 20.00 N ATOM 70 CA LYS A 6 18.276 28.335 24.658 1.00 20.00 C ATOM 71 C LYS A 6 19.322 28.852 25.661 1.00 20.00 C ATOM 72 O LYS A 6 20.373 28.226 25.795 1.00 20.00 O ATOM 73 CB LYS A 6 18.797 28.507 23.217 1.00 20.00 C ATOM 74 CG LYS A 6 18.052 27.669 22.165 1.00 20.00 C ATOM 75 CD LYS A 6 18.371 26.170 22.302 1.00 20.00 C ATOM 76 CE LYS A 6 17.783 25.339 21.160 1.00 20.00 C ATOM 77 NZ LYS A 6 16.310 25.360 21.156 1.00 20.00 N ATOM 0 H LYS A 6 16.800 29.677 24.053 1.00 20.00 H new ATOM 0 HA LYS A 6 18.122 27.279 24.880 1.00 20.00 H new ATOM 0 HB2 LYS A 6 18.726 29.559 22.942 1.00 20.00 H new ATOM 0 HB3 LYS A 6 19.854 28.242 23.192 1.00 20.00 H new ATOM 0 HG2 LYS A 6 16.978 27.824 22.270 1.00 20.00 H new ATOM 0 HG3 LYS A 6 18.327 28.010 21.167 1.00 20.00 H new ATOM 0 HD2 LYS A 6 19.452 26.033 22.328 1.00 20.00 H new ATOM 0 HD3 LYS A 6 17.981 25.804 23.252 1.00 20.00 H new ATOM 0 HE2 LYS A 6 18.152 25.720 20.208 1.00 20.00 H new ATOM 0 HE3 LYS A 6 18.130 24.309 21.247 1.00 20.00 H new ATOM 0 HZ1 LYS A 6 15.951 24.474 20.746 1.00 20.00 H new ATOM 0 HZ2 LYS A 6 15.962 25.457 22.131 1.00 20.00 H new ATOM 0 HZ3 LYS A 6 15.976 26.164 20.588 1.00 20.00 H new ATOM 91 N GLY A 7 19.041 29.953 26.374 1.00 20.00 N ATOM 92 CA GLY A 7 19.860 30.471 27.467 1.00 20.00 C ATOM 93 C GLY A 7 20.848 31.569 27.065 1.00 20.00 C ATOM 94 O GLY A 7 21.588 32.042 27.929 1.00 20.00 O ATOM 0 H GLY A 7 18.212 30.520 26.196 1.00 20.00 H new ATOM 0 HA2 GLY A 7 19.201 30.861 28.243 1.00 20.00 H new ATOM 0 HA3 GLY A 7 20.417 29.644 27.908 1.00 20.00 H new ATOM 98 N PHE A 8 20.867 31.974 25.786 1.00 20.00 N ATOM 99 CA PHE A 8 21.688 33.073 25.281 1.00 20.00 C ATOM 100 C PHE A 8 21.144 34.439 25.733 1.00 20.00 C ATOM 101 O PHE A 8 20.081 34.533 26.355 1.00 20.00 O ATOM 102 CB PHE A 8 21.750 32.993 23.748 1.00 20.00 C ATOM 103 CG PHE A 8 22.282 31.679 23.200 1.00 20.00 C ATOM 104 CD1 PHE A 8 21.454 30.840 22.429 1.00 20.00 C ATOM 105 CD2 PHE A 8 23.613 31.296 23.457 1.00 20.00 C ATOM 106 CE1 PHE A 8 21.957 29.630 21.920 1.00 20.00 C ATOM 107 CE2 PHE A 8 24.117 30.090 22.939 1.00 20.00 C ATOM 108 CZ PHE A 8 23.288 29.257 22.169 1.00 20.00 C ATOM 0 H PHE A 8 20.298 31.534 25.063 1.00 20.00 H new ATOM 0 HA PHE A 8 22.693 32.976 25.693 1.00 20.00 H new ATOM 0 HB2 PHE A 8 20.749 33.159 23.349 1.00 20.00 H new ATOM 0 HB3 PHE A 8 22.378 33.805 23.381 1.00 20.00 H new ATOM 0 HD1 PHE A 8 20.432 31.126 22.229 1.00 20.00 H new ATOM 0 HD2 PHE A 8 24.249 31.932 24.055 1.00 20.00 H new ATOM 0 HE1 PHE A 8 21.318 28.985 21.335 1.00 20.00 H new ATOM 0 HE2 PHE A 8 25.140 29.804 23.133 1.00 20.00 H new ATOM 0 HZ PHE A 8 23.674 28.331 21.769 1.00 20.00 H new ATOM 118 N GLY A 9 21.893 35.497 25.397 1.00 20.00 N ATOM 119 CA GLY A 9 21.565 36.886 25.710 1.00 20.00 C ATOM 120 C GLY A 9 21.093 37.661 24.478 1.00 20.00 C ATOM 121 O GLY A 9 21.276 37.225 23.339 1.00 20.00 O ATOM 0 H GLY A 9 22.770 35.403 24.884 1.00 20.00 H new ATOM 0 HA2 GLY A 9 20.787 36.911 26.473 1.00 20.00 H new ATOM 0 HA3 GLY A 9 22.441 37.378 26.133 1.00 20.00 H new ATOM 125 N CYS A 10 20.521 38.844 24.737 1.00 20.00 N ATOM 126 CA CYS A 10 20.014 39.772 23.732 1.00 20.00 C ATOM 127 C CYS A 10 20.783 41.094 23.833 1.00 20.00 C ATOM 128 O CYS A 10 20.244 42.118 24.258 1.00 20.00 O ATOM 129 CB CYS A 10 18.497 39.949 23.892 1.00 20.00 C ATOM 130 SG CYS A 10 17.510 38.449 23.667 1.00 20.00 S ATOM 0 H CYS A 10 20.397 39.189 25.689 1.00 20.00 H new ATOM 0 HA CYS A 10 20.176 39.374 22.730 1.00 20.00 H new ATOM 0 HB2 CYS A 10 18.298 40.348 24.887 1.00 20.00 H new ATOM 0 HB3 CYS A 10 18.158 40.697 23.175 1.00 20.00 H new ATOM 135 N LEU A 11 22.068 41.051 23.455 1.00 20.00 N ATOM 136 CA LEU A 11 22.961 42.205 23.390 1.00 20.00 C ATOM 137 C LEU A 11 22.571 43.096 22.197 1.00 20.00 C ATOM 138 O LEU A 11 21.994 42.599 21.230 1.00 20.00 O ATOM 139 CB LEU A 11 24.421 41.718 23.239 1.00 20.00 C ATOM 140 CG LEU A 11 25.128 41.265 24.537 1.00 20.00 C ATOM 141 CD1 LEU A 11 25.335 42.422 25.527 1.00 20.00 C ATOM 142 CD2 LEU A 11 24.420 40.103 25.247 1.00 20.00 C ATOM 0 H LEU A 11 22.524 40.182 23.178 1.00 20.00 H new ATOM 0 HA LEU A 11 22.873 42.788 24.307 1.00 20.00 H new ATOM 0 HB2 LEU A 11 24.433 40.887 22.534 1.00 20.00 H new ATOM 0 HB3 LEU A 11 25.006 42.523 22.793 1.00 20.00 H new ATOM 0 HG LEU A 11 26.102 40.906 24.205 1.00 20.00 H new ATOM 0 HD11 LEU A 11 25.835 42.051 26.421 1.00 20.00 H new ATOM 0 HD12 LEU A 11 25.949 43.193 25.062 1.00 20.00 H new ATOM 0 HD13 LEU A 11 24.368 42.844 25.801 1.00 20.00 H new ATOM 0 HD21 LEU A 11 24.971 39.838 26.149 1.00 20.00 H new ATOM 0 HD22 LEU A 11 23.407 40.404 25.516 1.00 20.00 H new ATOM 0 HD23 LEU A 11 24.378 39.241 24.581 1.00 20.00 H new ATOM 154 N PRO A 12 22.904 44.400 22.214 1.00 20.00 N ATOM 155 CA PRO A 12 22.659 45.290 21.084 1.00 20.00 C ATOM 156 C PRO A 12 23.571 44.946 19.898 1.00 20.00 C ATOM 157 O PRO A 12 24.600 44.290 20.065 1.00 20.00 O ATOM 158 CB PRO A 12 22.905 46.700 21.629 1.00 20.00 C ATOM 159 CG PRO A 12 23.939 46.482 22.731 1.00 20.00 C ATOM 160 CD PRO A 12 23.550 45.120 23.302 1.00 20.00 C ATOM 0 HA PRO A 12 21.647 45.195 20.691 1.00 20.00 H new ATOM 0 HB2 PRO A 12 23.279 47.370 20.855 1.00 20.00 H new ATOM 0 HB3 PRO A 12 21.990 47.144 22.020 1.00 20.00 H new ATOM 0 HG2 PRO A 12 24.955 46.479 22.336 1.00 20.00 H new ATOM 0 HG3 PRO A 12 23.893 47.265 23.488 1.00 20.00 H new ATOM 0 HD2 PRO A 12 24.428 44.582 23.660 1.00 20.00 H new ATOM 0 HD3 PRO A 12 22.876 45.231 24.151 1.00 20.00 H new ATOM 168 N GLN A 13 23.204 45.416 18.699 1.00 20.00 N ATOM 169 CA GLN A 13 23.982 45.227 17.470 1.00 20.00 C ATOM 170 C GLN A 13 25.358 45.913 17.543 1.00 20.00 C ATOM 171 O GLN A 13 26.287 45.480 16.863 1.00 20.00 O ATOM 172 CB GLN A 13 23.191 45.769 16.268 1.00 20.00 C ATOM 173 CG GLN A 13 21.963 44.909 15.931 1.00 20.00 C ATOM 174 CD GLN A 13 21.184 45.476 14.740 1.00 20.00 C ATOM 175 OE1 GLN A 13 21.720 45.597 13.641 1.00 20.00 O ATOM 176 NE2 GLN A 13 19.912 45.820 14.942 1.00 20.00 N ATOM 0 H GLN A 13 22.345 45.946 18.554 1.00 20.00 H new ATOM 0 HA GLN A 13 24.156 44.158 17.351 1.00 20.00 H new ATOM 0 HB2 GLN A 13 22.869 46.788 16.480 1.00 20.00 H new ATOM 0 HB3 GLN A 13 23.846 45.816 15.398 1.00 20.00 H new ATOM 0 HG2 GLN A 13 22.282 43.891 15.706 1.00 20.00 H new ATOM 0 HG3 GLN A 13 21.308 44.853 16.801 1.00 20.00 H new ATOM 0 HE21 GLN A 13 19.494 45.708 15.866 1.00 20.00 H new ATOM 0 HE22 GLN A 13 19.357 46.195 14.173 1.00 20.00 H new ATOM 185 N SER A 14 25.504 46.952 18.380 1.00 20.00 N ATOM 186 CA SER A 14 26.767 47.622 18.663 1.00 20.00 C ATOM 187 C SER A 14 27.753 46.703 19.396 1.00 20.00 C ATOM 188 O SER A 14 28.921 46.644 19.010 1.00 20.00 O ATOM 189 CB SER A 14 26.496 48.902 19.467 1.00 20.00 C ATOM 190 OG SER A 14 25.740 48.652 20.636 1.00 20.00 O ATOM 0 H SER A 14 24.718 47.355 18.890 1.00 20.00 H new ATOM 0 HA SER A 14 27.237 47.886 17.716 1.00 20.00 H new ATOM 0 HB2 SER A 14 27.445 49.363 19.742 1.00 20.00 H new ATOM 0 HB3 SER A 14 25.964 49.617 18.839 1.00 20.00 H new ATOM 0 HG SER A 14 25.593 49.493 21.117 1.00 20.00 H new ATOM 196 N ASP A 15 27.297 45.993 20.439 1.00 20.00 N ATOM 197 CA ASP A 15 28.124 45.135 21.281 1.00 20.00 C ATOM 198 C ASP A 15 28.368 43.768 20.626 1.00 20.00 C ATOM 199 O ASP A 15 29.520 43.352 20.508 1.00 20.00 O ATOM 200 CB ASP A 15 27.456 44.988 22.655 1.00 20.00 C ATOM 201 CG ASP A 15 28.374 44.299 23.663 1.00 20.00 C ATOM 202 OD1 ASP A 15 29.110 45.033 24.361 1.00 20.00 O ATOM 203 OD2 ASP A 15 28.327 43.053 23.740 1.00 20.00 O ATOM 0 H ASP A 15 26.317 46.004 20.722 1.00 20.00 H new ATOM 0 HA ASP A 15 29.103 45.597 21.407 1.00 20.00 H new ATOM 0 HB2 ASP A 15 27.178 45.973 23.031 1.00 20.00 H new ATOM 0 HB3 ASP A 15 26.535 44.415 22.552 1.00 20.00 H new ATOM 208 N CYS A 16 27.295 43.078 20.208 1.00 20.00 N ATOM 209 CA CYS A 16 27.342 41.768 19.574 1.00 20.00 C ATOM 210 C CYS A 16 27.992 41.862 18.178 1.00 20.00 C ATOM 211 O CYS A 16 27.461 42.579 17.325 1.00 20.00 O ATOM 212 CB CYS A 16 25.920 41.200 19.460 1.00 20.00 C ATOM 213 SG CYS A 16 25.883 39.455 18.965 1.00 20.00 S ATOM 0 H CYS A 16 26.345 43.435 20.309 1.00 20.00 H new ATOM 0 HA CYS A 16 27.948 41.101 20.188 1.00 20.00 H new ATOM 0 HB2 CYS A 16 25.414 41.309 20.419 1.00 20.00 H new ATOM 0 HB3 CYS A 16 25.358 41.788 18.735 1.00 20.00 H new ATOM 218 N PRO A 17 29.109 41.153 17.911 1.00 20.00 N ATOM 219 CA PRO A 17 29.732 41.104 16.590 1.00 20.00 C ATOM 220 C PRO A 17 28.853 40.327 15.600 1.00 20.00 C ATOM 221 O PRO A 17 27.975 39.567 16.004 1.00 20.00 O ATOM 222 CB PRO A 17 31.090 40.436 16.811 1.00 20.00 C ATOM 223 CG PRO A 17 30.826 39.497 17.983 1.00 20.00 C ATOM 224 CD PRO A 17 29.828 40.285 18.831 1.00 20.00 C ATOM 0 HA PRO A 17 29.853 42.094 16.151 1.00 20.00 H new ATOM 0 HB2 PRO A 17 31.421 39.893 15.926 1.00 20.00 H new ATOM 0 HB3 PRO A 17 31.865 41.166 17.046 1.00 20.00 H new ATOM 0 HG2 PRO A 17 30.412 38.544 17.653 1.00 20.00 H new ATOM 0 HG3 PRO A 17 31.739 39.274 18.536 1.00 20.00 H new ATOM 0 HD2 PRO A 17 29.143 39.614 19.349 1.00 20.00 H new ATOM 0 HD3 PRO A 17 30.342 40.868 19.595 1.00 20.00 H new ATOM 232 N GLN A 18 29.099 40.525 14.299 1.00 20.00 N ATOM 233 CA GLN A 18 28.218 40.106 13.202 1.00 20.00 C ATOM 234 C GLN A 18 28.194 38.581 13.010 1.00 20.00 C ATOM 235 O GLN A 18 27.245 38.041 12.445 1.00 20.00 O ATOM 236 CB GLN A 18 28.658 40.807 11.904 1.00 20.00 C ATOM 237 CG GLN A 18 28.398 42.325 11.948 1.00 20.00 C ATOM 238 CD GLN A 18 29.012 43.072 10.760 1.00 20.00 C ATOM 239 OE1 GLN A 18 29.007 42.595 9.628 1.00 20.00 O ATOM 240 NE2 GLN A 18 29.546 44.268 11.005 1.00 20.00 N ATOM 0 H GLN A 18 29.942 40.996 13.971 1.00 20.00 H new ATOM 0 HA GLN A 18 27.201 40.400 13.460 1.00 20.00 H new ATOM 0 HB2 GLN A 18 29.720 40.626 11.737 1.00 20.00 H new ATOM 0 HB3 GLN A 18 28.124 40.373 11.059 1.00 20.00 H new ATOM 0 HG2 GLN A 18 27.323 42.504 11.966 1.00 20.00 H new ATOM 0 HG3 GLN A 18 28.804 42.731 12.875 1.00 20.00 H new ATOM 0 HE21 GLN A 18 29.539 44.645 11.953 1.00 20.00 H new ATOM 0 HE22 GLN A 18 29.961 44.806 10.245 1.00 20.00 H new ATOM 249 N GLU A 19 29.230 37.899 13.504 1.00 20.00 N ATOM 250 CA GLU A 19 29.419 36.455 13.531 1.00 20.00 C ATOM 251 C GLU A 19 28.552 35.779 14.601 1.00 20.00 C ATOM 252 O GLU A 19 28.005 34.706 14.352 1.00 20.00 O ATOM 253 CB GLU A 19 30.910 36.148 13.765 1.00 20.00 C ATOM 254 CG GLU A 19 31.592 37.012 14.842 1.00 20.00 C ATOM 255 CD GLU A 19 33.037 36.573 15.074 1.00 20.00 C ATOM 256 OE1 GLU A 19 33.309 36.012 16.159 1.00 20.00 O ATOM 257 OE2 GLU A 19 33.864 36.807 14.167 1.00 20.00 O ATOM 0 H GLU A 19 30.019 38.386 13.929 1.00 20.00 H new ATOM 0 HA GLU A 19 29.103 36.049 12.570 1.00 20.00 H new ATOM 0 HB2 GLU A 19 31.010 35.099 14.045 1.00 20.00 H new ATOM 0 HB3 GLU A 19 31.444 36.279 12.824 1.00 20.00 H new ATOM 0 HG2 GLU A 19 31.572 38.059 14.538 1.00 20.00 H new ATOM 0 HG3 GLU A 19 31.034 36.941 15.776 1.00 20.00 H new ATOM 264 N ALA A 20 28.422 36.408 15.776 1.00 20.00 N ATOM 265 CA ALA A 20 27.684 35.895 16.924 1.00 20.00 C ATOM 266 C ALA A 20 26.164 36.105 16.817 1.00 20.00 C ATOM 267 O ALA A 20 25.433 35.618 17.678 1.00 20.00 O ATOM 268 CB ALA A 20 28.239 36.551 18.193 1.00 20.00 C ATOM 0 H ALA A 20 28.845 37.319 15.954 1.00 20.00 H new ATOM 0 HA ALA A 20 27.825 34.815 16.958 1.00 20.00 H new ATOM 0 HB1 ALA A 20 27.697 36.178 19.062 1.00 20.00 H new ATOM 0 HB2 ALA A 20 29.297 36.310 18.294 1.00 20.00 H new ATOM 0 HB3 ALA A 20 28.118 37.632 18.127 1.00 20.00 H new ATOM 274 N ARG A 21 25.683 36.808 15.777 1.00 20.00 N ATOM 275 CA ARG A 21 24.262 37.069 15.545 1.00 20.00 C ATOM 276 C ARG A 21 23.540 35.787 15.118 1.00 20.00 C ATOM 277 O ARG A 21 23.639 35.369 13.964 1.00 20.00 O ATOM 278 CB ARG A 21 24.067 38.187 14.509 1.00 20.00 C ATOM 279 CG ARG A 21 24.661 39.507 15.013 1.00 20.00 C ATOM 280 CD ARG A 21 24.420 40.654 14.036 1.00 20.00 C ATOM 281 NE ARG A 21 25.133 41.859 14.481 1.00 20.00 N ATOM 282 CZ ARG A 21 25.142 43.037 13.846 1.00 20.00 C ATOM 283 NH1 ARG A 21 24.417 43.241 12.744 1.00 20.00 N ATOM 284 NH2 ARG A 21 25.896 44.026 14.318 1.00 20.00 N ATOM 0 H ARG A 21 26.287 37.216 15.064 1.00 20.00 H new ATOM 0 HA ARG A 21 23.822 37.408 16.483 1.00 20.00 H new ATOM 0 HB2 ARG A 21 24.542 37.905 13.569 1.00 20.00 H new ATOM 0 HB3 ARG A 21 23.005 38.317 14.303 1.00 20.00 H new ATOM 0 HG2 ARG A 21 24.222 39.756 15.979 1.00 20.00 H new ATOM 0 HG3 ARG A 21 25.733 39.385 15.171 1.00 20.00 H new ATOM 0 HD2 ARG A 21 24.758 40.370 13.040 1.00 20.00 H new ATOM 0 HD3 ARG A 21 23.352 40.861 13.963 1.00 20.00 H new ATOM 0 HE ARG A 21 25.667 41.792 15.348 1.00 20.00 H new ATOM 0 HH11 ARG A 21 23.839 42.490 12.368 1.00 20.00 H new ATOM 0 HH12 ARG A 21 24.441 44.148 12.278 1.00 20.00 H new ATOM 0 HH21 ARG A 21 26.460 43.882 15.156 1.00 20.00 H new ATOM 0 HH22 ARG A 21 25.911 44.928 13.842 1.00 20.00 H new ATOM 298 N LEU A 22 22.810 35.175 16.060 1.00 20.00 N ATOM 299 CA LEU A 22 22.023 33.962 15.841 1.00 20.00 C ATOM 300 C LEU A 22 20.766 34.236 15.004 1.00 20.00 C ATOM 301 O LEU A 22 20.395 35.385 14.759 1.00 20.00 O ATOM 302 CB LEU A 22 21.642 33.348 17.198 1.00 20.00 C ATOM 303 CG LEU A 22 22.844 32.769 17.969 1.00 20.00 C ATOM 304 CD1 LEU A 22 22.473 32.690 19.447 1.00 20.00 C ATOM 305 CD2 LEU A 22 23.236 31.376 17.461 1.00 20.00 C ATOM 0 H LEU A 22 22.751 35.521 17.018 1.00 20.00 H new ATOM 0 HA LEU A 22 22.635 33.258 15.277 1.00 20.00 H new ATOM 0 HB2 LEU A 22 21.160 34.110 17.811 1.00 20.00 H new ATOM 0 HB3 LEU A 22 20.909 32.558 17.037 1.00 20.00 H new ATOM 0 HG LEU A 22 23.703 33.423 17.816 1.00 20.00 H new ATOM 0 HD11 LEU A 22 23.312 32.282 20.011 1.00 20.00 H new ATOM 0 HD12 LEU A 22 22.238 33.688 19.817 1.00 20.00 H new ATOM 0 HD13 LEU A 22 21.604 32.043 19.570 1.00 20.00 H new ATOM 0 HD21 LEU A 22 24.087 31.007 18.033 1.00 20.00 H new ATOM 0 HD22 LEU A 22 22.394 30.694 17.582 1.00 20.00 H new ATOM 0 HD23 LEU A 22 23.505 31.436 16.407 1.00 20.00 H new ATOM 317 N SER A 23 20.104 33.149 14.588 1.00 20.00 N ATOM 318 CA SER A 23 18.884 33.160 13.784 1.00 20.00 C ATOM 319 C SER A 23 17.606 33.139 14.643 1.00 20.00 C ATOM 320 O SER A 23 16.513 33.332 14.109 1.00 20.00 O ATOM 321 CB SER A 23 18.931 31.955 12.833 1.00 20.00 C ATOM 322 OG SER A 23 17.962 32.077 11.815 1.00 20.00 O ATOM 0 H SER A 23 20.418 32.205 14.813 1.00 20.00 H new ATOM 0 HA SER A 23 18.843 34.091 13.219 1.00 20.00 H new ATOM 0 HB2 SER A 23 19.923 31.877 12.388 1.00 20.00 H new ATOM 0 HB3 SER A 23 18.760 31.037 13.395 1.00 20.00 H new ATOM 0 HG SER A 23 17.134 32.440 12.193 1.00 20.00 H new ATOM 328 N TYR A 24 17.732 32.915 15.961 1.00 20.00 N ATOM 329 CA TYR A 24 16.618 32.830 16.899 1.00 20.00 C ATOM 330 C TYR A 24 15.963 34.195 17.153 1.00 20.00 C ATOM 331 O TYR A 24 16.583 35.242 16.959 1.00 20.00 O ATOM 332 CB TYR A 24 17.118 32.233 18.224 1.00 20.00 C ATOM 333 CG TYR A 24 17.812 30.885 18.123 1.00 20.00 C ATOM 334 CD1 TYR A 24 17.245 29.832 17.376 1.00 20.00 C ATOM 335 CD2 TYR A 24 19.029 30.678 18.800 1.00 20.00 C ATOM 336 CE1 TYR A 24 17.879 28.577 17.324 1.00 20.00 C ATOM 337 CE2 TYR A 24 19.684 29.437 18.725 1.00 20.00 C ATOM 338 CZ TYR A 24 19.104 28.375 17.998 1.00 20.00 C ATOM 339 OH TYR A 24 19.719 27.159 17.958 1.00 20.00 O ATOM 0 H TYR A 24 18.639 32.785 16.408 1.00 20.00 H new ATOM 0 HA TYR A 24 15.857 32.187 16.457 1.00 20.00 H new ATOM 0 HB2 TYR A 24 17.808 32.942 18.683 1.00 20.00 H new ATOM 0 HB3 TYR A 24 16.268 32.133 18.899 1.00 20.00 H new ATOM 0 HD1 TYR A 24 16.320 29.990 16.841 1.00 20.00 H new ATOM 0 HD2 TYR A 24 19.462 31.479 19.381 1.00 20.00 H new ATOM 0 HE1 TYR A 24 17.429 27.768 16.768 1.00 20.00 H new ATOM 0 HE2 TYR A 24 20.631 29.296 19.224 1.00 20.00 H new ATOM 0 HH TYR A 24 20.551 27.196 18.474 1.00 20.00 H new ATOM 349 N GLY A 25 14.717 34.158 17.644 1.00 20.00 N ATOM 350 CA GLY A 25 13.905 35.319 17.995 1.00 20.00 C ATOM 351 C GLY A 25 13.645 35.428 19.499 1.00 20.00 C ATOM 352 O GLY A 25 14.105 34.603 20.287 1.00 20.00 O ATOM 0 H GLY A 25 14.231 33.277 17.813 1.00 20.00 H new ATOM 0 HA2 GLY A 25 14.406 36.224 17.651 1.00 20.00 H new ATOM 0 HA3 GLY A 25 12.952 35.262 17.469 1.00 20.00 H new ATOM 356 N GLY A 26 12.896 36.468 19.885 1.00 20.00 N ATOM 357 CA GLY A 26 12.475 36.744 21.255 1.00 20.00 C ATOM 358 C GLY A 26 13.233 37.900 21.922 1.00 20.00 C ATOM 359 O GLY A 26 12.877 38.277 23.037 1.00 20.00 O ATOM 0 H GLY A 26 12.556 37.165 19.222 1.00 20.00 H new ATOM 0 HA2 GLY A 26 11.409 36.973 21.257 1.00 20.00 H new ATOM 0 HA3 GLY A 26 12.608 35.843 21.853 1.00 20.00 H new ATOM 363 N CYS A 27 14.260 38.459 21.263 1.00 20.00 N ATOM 364 CA CYS A 27 15.022 39.616 21.728 1.00 20.00 C ATOM 365 C CYS A 27 14.329 40.946 21.402 1.00 20.00 C ATOM 366 O CYS A 27 13.276 40.979 20.764 1.00 20.00 O ATOM 367 CB CYS A 27 16.414 39.573 21.090 1.00 20.00 C ATOM 368 SG CYS A 27 17.470 38.219 21.643 1.00 20.00 S ATOM 0 H CYS A 27 14.589 38.103 20.365 1.00 20.00 H new ATOM 0 HA CYS A 27 15.096 39.562 22.814 1.00 20.00 H new ATOM 0 HB2 CYS A 27 16.299 39.504 20.008 1.00 20.00 H new ATOM 0 HB3 CYS A 27 16.921 40.516 21.297 1.00 20.00 H new ATOM 373 N SER A 28 14.965 42.044 21.836 1.00 20.00 N ATOM 374 CA SER A 28 14.562 43.423 21.564 1.00 20.00 C ATOM 375 C SER A 28 15.601 44.158 20.698 1.00 20.00 C ATOM 376 O SER A 28 15.376 45.310 20.327 1.00 20.00 O ATOM 377 CB SER A 28 14.335 44.154 22.892 1.00 20.00 C ATOM 378 OG SER A 28 13.346 43.516 23.677 1.00 20.00 O ATOM 0 H SER A 28 15.807 41.989 22.409 1.00 20.00 H new ATOM 0 HA SER A 28 13.632 43.410 20.996 1.00 20.00 H new ATOM 0 HB2 SER A 28 15.271 44.196 23.449 1.00 20.00 H new ATOM 0 HB3 SER A 28 14.035 45.183 22.695 1.00 20.00 H new ATOM 0 HG SER A 28 13.228 44.007 24.517 1.00 20.00 H new ATOM 384 N THR A 29 16.718 43.492 20.358 1.00 20.00 N ATOM 385 CA THR A 29 17.794 43.990 19.505 1.00 20.00 C ATOM 386 C THR A 29 18.265 42.878 18.558 1.00 20.00 C ATOM 387 O THR A 29 17.962 42.932 17.367 1.00 20.00 O ATOM 388 CB THR A 29 18.961 44.571 20.336 1.00 20.00 C ATOM 389 OG1 THR A 29 19.362 43.696 21.373 1.00 20.00 O ATOM 390 CG2 THR A 29 18.614 45.922 20.967 1.00 20.00 C ATOM 0 H THR A 29 16.897 42.545 20.691 1.00 20.00 H new ATOM 0 HA THR A 29 17.406 44.812 18.904 1.00 20.00 H new ATOM 0 HB THR A 29 19.777 44.702 19.626 1.00 20.00 H new ATOM 0 HG1 THR A 29 20.260 43.352 21.182 1.00 20.00 H new ATOM 0 HG21 THR A 29 19.467 46.286 21.540 1.00 20.00 H new ATOM 0 HG22 THR A 29 18.371 46.638 20.182 1.00 20.00 H new ATOM 0 HG23 THR A 29 17.756 45.805 21.629 1.00 20.00 H new ATOM 398 N VAL A 30 19.010 41.891 19.081 1.00 20.00 N ATOM 399 CA VAL A 30 19.586 40.755 18.356 1.00 20.00 C ATOM 400 C VAL A 30 20.072 39.707 19.373 1.00 20.00 C ATOM 401 O VAL A 30 20.583 40.066 20.433 1.00 20.00 O ATOM 402 CB VAL A 30 20.722 41.235 17.410 1.00 20.00 C ATOM 403 CG1 VAL A 30 21.914 41.903 18.116 1.00 20.00 C ATOM 404 CG2 VAL A 30 21.248 40.103 16.523 1.00 20.00 C ATOM 0 H VAL A 30 19.237 41.866 20.075 1.00 20.00 H new ATOM 0 HA VAL A 30 18.830 40.289 17.724 1.00 20.00 H new ATOM 0 HB VAL A 30 20.239 42.000 16.802 1.00 20.00 H new ATOM 0 HG11 VAL A 30 22.654 42.204 17.374 1.00 20.00 H new ATOM 0 HG12 VAL A 30 21.568 42.782 18.661 1.00 20.00 H new ATOM 0 HG13 VAL A 30 22.365 41.198 18.814 1.00 20.00 H new ATOM 0 HG21 VAL A 30 22.040 40.484 15.879 1.00 20.00 H new ATOM 0 HG22 VAL A 30 21.643 39.303 17.150 1.00 20.00 H new ATOM 0 HG23 VAL A 30 20.436 39.715 15.909 1.00 20.00 H new ATOM 414 N CYS A 31 19.929 38.413 19.049 1.00 20.00 N ATOM 415 CA CYS A 31 20.459 37.315 19.858 1.00 20.00 C ATOM 416 C CYS A 31 21.977 37.193 19.660 1.00 20.00 C ATOM 417 O CYS A 31 22.469 37.394 18.549 1.00 20.00 O ATOM 418 CB CYS A 31 19.781 36.003 19.446 1.00 20.00 C ATOM 419 SG CYS A 31 19.979 34.637 20.619 1.00 20.00 S ATOM 0 H CYS A 31 19.438 38.101 18.211 1.00 20.00 H new ATOM 0 HA CYS A 31 20.255 37.519 20.909 1.00 20.00 H new ATOM 0 HB2 CYS A 31 18.716 36.190 19.306 1.00 20.00 H new ATOM 0 HB3 CYS A 31 20.180 35.693 18.480 1.00 20.00 H new ATOM 424 N CYS A 32 22.708 36.823 20.720 1.00 20.00 N ATOM 425 CA CYS A 32 24.164 36.731 20.711 1.00 20.00 C ATOM 426 C CYS A 32 24.621 35.457 21.431 1.00 20.00 C ATOM 427 O CYS A 32 24.328 35.302 22.616 1.00 20.00 O ATOM 428 CB CYS A 32 24.755 37.999 21.350 1.00 20.00 C ATOM 429 SG CYS A 32 26.372 38.460 20.682 1.00 20.00 S ATOM 0 H CYS A 32 22.293 36.577 21.619 1.00 20.00 H new ATOM 0 HA CYS A 32 24.527 36.666 19.685 1.00 20.00 H new ATOM 0 HB2 CYS A 32 24.061 38.827 21.204 1.00 20.00 H new ATOM 0 HB3 CYS A 32 24.846 37.846 22.425 1.00 20.00 H new ATOM 434 N ASP A 33 25.314 34.548 20.721 1.00 20.00 N ATOM 435 CA ASP A 33 25.846 33.304 21.287 1.00 20.00 C ATOM 436 C ASP A 33 26.969 33.576 22.298 1.00 20.00 C ATOM 437 O ASP A 33 28.137 33.678 21.935 1.00 20.00 O ATOM 438 CB ASP A 33 26.270 32.281 20.209 1.00 20.00 C ATOM 439 CG ASP A 33 27.005 32.839 18.986 1.00 20.00 C ATOM 440 OD1 ASP A 33 28.149 33.316 19.145 1.00 20.00 O ATOM 441 OD2 ASP A 33 26.429 32.731 17.882 1.00 20.00 O ATOM 0 H ASP A 33 25.520 34.662 19.729 1.00 20.00 H new ATOM 0 HA ASP A 33 25.023 32.839 21.831 1.00 20.00 H new ATOM 0 HB2 ASP A 33 26.910 31.535 20.680 1.00 20.00 H new ATOM 0 HB3 ASP A 33 25.377 31.761 19.862 1.00 20.00 H new ATOM 446 N LEU A 34 26.615 33.675 23.585 1.00 20.00 N ATOM 447 CA LEU A 34 27.569 33.912 24.669 1.00 20.00 C ATOM 448 C LEU A 34 28.512 32.712 24.868 1.00 20.00 C ATOM 449 O LEU A 34 29.652 32.898 25.295 1.00 20.00 O ATOM 450 CB LEU A 34 26.831 34.221 25.984 1.00 20.00 C ATOM 451 CG LEU A 34 25.674 35.241 25.897 1.00 20.00 C ATOM 452 CD1 LEU A 34 25.007 35.371 27.272 1.00 20.00 C ATOM 453 CD2 LEU A 34 26.147 36.619 25.414 1.00 20.00 C ATOM 0 H LEU A 34 25.650 33.592 23.903 1.00 20.00 H new ATOM 0 HA LEU A 34 28.173 34.774 24.386 1.00 20.00 H new ATOM 0 HB2 LEU A 34 26.434 33.287 26.381 1.00 20.00 H new ATOM 0 HB3 LEU A 34 27.559 34.590 26.706 1.00 20.00 H new ATOM 0 HG LEU A 34 24.958 34.870 25.163 1.00 20.00 H new ATOM 0 HD11 LEU A 34 24.190 36.090 27.214 1.00 20.00 H new ATOM 0 HD12 LEU A 34 24.615 34.401 27.580 1.00 20.00 H new ATOM 0 HD13 LEU A 34 25.741 35.714 28.001 1.00 20.00 H new ATOM 0 HD21 LEU A 34 25.297 37.300 25.370 1.00 20.00 H new ATOM 0 HD22 LEU A 34 26.891 37.012 26.107 1.00 20.00 H new ATOM 0 HD23 LEU A 34 26.589 36.525 24.422 1.00 20.00 H new ATOM 465 N SER A 35 28.050 31.495 24.534 1.00 20.00 N ATOM 466 CA SER A 35 28.798 30.246 24.640 1.00 20.00 C ATOM 467 C SER A 35 29.807 30.044 23.496 1.00 20.00 C ATOM 468 O SER A 35 30.641 29.144 23.597 1.00 20.00 O ATOM 469 CB SER A 35 27.795 29.085 24.661 1.00 20.00 C ATOM 470 OG SER A 35 28.430 27.873 25.012 1.00 20.00 O ATOM 0 H SER A 35 27.107 31.357 24.169 1.00 20.00 H new ATOM 0 HA SER A 35 29.383 30.283 25.559 1.00 20.00 H new ATOM 0 HB2 SER A 35 26.998 29.301 25.372 1.00 20.00 H new ATOM 0 HB3 SER A 35 27.329 28.985 23.681 1.00 20.00 H new ATOM 0 HG SER A 35 29.328 27.849 24.620 1.00 20.00 H new ATOM 476 N LYS A 36 29.748 30.854 22.425 1.00 20.00 N ATOM 477 CA LYS A 36 30.593 30.728 21.232 1.00 20.00 C ATOM 478 C LYS A 36 31.226 32.055 20.788 1.00 20.00 C ATOM 479 O LYS A 36 31.835 32.117 19.719 1.00 20.00 O ATOM 480 CB LYS A 36 29.798 30.079 20.083 1.00 20.00 C ATOM 481 CG LYS A 36 29.032 28.809 20.486 1.00 20.00 C ATOM 482 CD LYS A 36 28.588 28.027 19.241 1.00 20.00 C ATOM 483 CE LYS A 36 27.864 26.726 19.601 1.00 20.00 C ATOM 484 NZ LYS A 36 26.538 26.971 20.195 1.00 20.00 N ATOM 0 H LYS A 36 29.093 31.634 22.367 1.00 20.00 H new ATOM 0 HA LYS A 36 31.426 30.080 21.504 1.00 20.00 H new ATOM 0 HB2 LYS A 36 29.089 30.808 19.689 1.00 20.00 H new ATOM 0 HB3 LYS A 36 30.486 29.834 19.274 1.00 20.00 H new ATOM 0 HG2 LYS A 36 29.665 28.179 21.111 1.00 20.00 H new ATOM 0 HG3 LYS A 36 28.161 29.078 21.083 1.00 20.00 H new ATOM 0 HD2 LYS A 36 27.930 28.652 18.638 1.00 20.00 H new ATOM 0 HD3 LYS A 36 29.460 27.798 18.628 1.00 20.00 H new ATOM 0 HE2 LYS A 36 27.751 26.115 18.705 1.00 20.00 H new ATOM 0 HE3 LYS A 36 28.474 26.155 20.301 1.00 20.00 H new ATOM 0 HZ1 LYS A 36 26.079 26.062 20.407 1.00 20.00 H new ATOM 0 HZ2 LYS A 36 26.647 27.517 21.074 1.00 20.00 H new ATOM 0 HZ3 LYS A 36 25.951 27.507 19.525 1.00 20.00 H new ATOM 498 N LEU A 37 31.082 33.103 21.606 1.00 20.00 N ATOM 499 CA LEU A 37 31.536 34.466 21.349 1.00 20.00 C ATOM 500 C LEU A 37 33.070 34.573 21.342 1.00 20.00 C ATOM 501 O LEU A 37 33.628 35.340 20.559 1.00 20.00 O ATOM 502 CB LEU A 37 30.944 35.395 22.429 1.00 20.00 C ATOM 503 CG LEU A 37 30.271 36.657 21.866 1.00 20.00 C ATOM 504 CD1 LEU A 37 29.627 37.423 23.023 1.00 20.00 C ATOM 505 CD2 LEU A 37 31.259 37.581 21.144 1.00 20.00 C ATOM 0 H LEU A 37 30.621 33.014 22.512 1.00 20.00 H new ATOM 0 HA LEU A 37 31.192 34.764 20.359 1.00 20.00 H new ATOM 0 HB2 LEU A 37 30.214 34.836 23.014 1.00 20.00 H new ATOM 0 HB3 LEU A 37 31.739 35.693 23.113 1.00 20.00 H new ATOM 0 HG LEU A 37 29.528 36.340 21.134 1.00 20.00 H new ATOM 0 HD11 LEU A 37 29.145 38.322 22.640 1.00 20.00 H new ATOM 0 HD12 LEU A 37 28.883 36.791 23.509 1.00 20.00 H new ATOM 0 HD13 LEU A 37 30.394 37.702 23.746 1.00 20.00 H new ATOM 0 HD21 LEU A 37 30.730 38.456 20.767 1.00 20.00 H new ATOM 0 HD22 LEU A 37 32.035 37.899 21.840 1.00 20.00 H new ATOM 0 HD23 LEU A 37 31.715 37.046 20.311 1.00 20.00 H new ATOM 517 N THR A 38 33.735 33.802 22.215 1.00 20.00 N ATOM 518 CA THR A 38 35.177 33.852 22.473 1.00 20.00 C ATOM 519 C THR A 38 35.875 32.534 22.128 1.00 20.00 C ATOM 520 O THR A 38 36.986 32.562 21.600 1.00 20.00 O ATOM 521 CB THR A 38 35.443 34.236 23.941 1.00 20.00 C ATOM 522 OG1 THR A 38 34.899 33.287 24.839 1.00 20.00 O ATOM 523 CG2 THR A 38 34.861 35.610 24.282 1.00 20.00 C ATOM 0 H THR A 38 33.261 33.099 22.782 1.00 20.00 H new ATOM 0 HA THR A 38 35.598 34.617 21.820 1.00 20.00 H new ATOM 0 HB THR A 38 36.527 34.262 24.052 1.00 20.00 H new ATOM 0 HG1 THR A 38 35.088 33.562 25.760 1.00 20.00 H new ATOM 0 HG21 THR A 38 35.069 35.845 25.326 1.00 20.00 H new ATOM 0 HG22 THR A 38 35.315 36.367 23.642 1.00 20.00 H new ATOM 0 HG23 THR A 38 33.783 35.599 24.121 1.00 20.00 H new ATOM 531 N GLY A 39 35.225 31.395 22.403 1.00 20.00 N ATOM 532 CA GLY A 39 35.756 30.059 22.138 1.00 20.00 C ATOM 533 C GLY A 39 36.951 29.696 23.028 1.00 20.00 C ATOM 534 O GLY A 39 37.174 30.318 24.067 1.00 20.00 O ATOM 0 H GLY A 39 34.296 31.381 22.825 1.00 20.00 H new ATOM 0 HA2 GLY A 39 34.964 29.325 22.286 1.00 20.00 H new ATOM 0 HA3 GLY A 39 36.058 29.996 21.092 1.00 20.00 H new ATOM 538 N CYS A 40 37.717 28.677 22.610 1.00 20.00 N ATOM 539 CA CYS A 40 39.009 28.330 23.188 1.00 20.00 C ATOM 540 C CYS A 40 39.997 29.482 22.984 1.00 20.00 C ATOM 541 O CYS A 40 40.415 30.113 23.954 1.00 20.00 O ATOM 542 CB CYS A 40 39.557 27.043 22.555 1.00 20.00 C ATOM 543 SG CYS A 40 41.142 26.519 23.263 1.00 20.00 S ATOM 0 H CYS A 40 37.443 28.062 21.844 1.00 20.00 H new ATOM 0 HA CYS A 40 38.878 28.157 24.256 1.00 20.00 H new ATOM 0 HB2 CYS A 40 38.827 26.244 22.683 1.00 20.00 H new ATOM 0 HB3 CYS A 40 39.678 27.196 21.483 1.00 20.00 H new ATOM 548 N LYS A 41 40.351 29.741 21.714 1.00 20.00 N ATOM 549 CA LYS A 41 41.318 30.736 21.241 1.00 20.00 C ATOM 550 C LYS A 41 42.728 30.609 21.850 1.00 20.00 C ATOM 551 O LYS A 41 43.527 31.540 21.753 1.00 20.00 O ATOM 552 CB LYS A 41 40.709 32.151 21.363 1.00 20.00 C ATOM 553 CG LYS A 41 40.766 32.906 20.027 1.00 20.00 C ATOM 554 CD LYS A 41 40.064 34.268 20.132 1.00 20.00 C ATOM 555 CE LYS A 41 39.752 34.868 18.759 1.00 20.00 C ATOM 556 NZ LYS A 41 40.967 35.164 17.978 1.00 20.00 N ATOM 0 H LYS A 41 39.938 29.222 20.939 1.00 20.00 H new ATOM 0 HA LYS A 41 41.502 30.531 20.186 1.00 20.00 H new ATOM 0 HB2 LYS A 41 39.674 32.075 21.695 1.00 20.00 H new ATOM 0 HB3 LYS A 41 41.247 32.715 22.124 1.00 20.00 H new ATOM 0 HG2 LYS A 41 41.805 33.051 19.731 1.00 20.00 H new ATOM 0 HG3 LYS A 41 40.293 32.309 19.248 1.00 20.00 H new ATOM 0 HD2 LYS A 41 39.138 34.154 20.695 1.00 20.00 H new ATOM 0 HD3 LYS A 41 40.695 34.957 20.692 1.00 20.00 H new ATOM 0 HE2 LYS A 41 39.124 34.175 18.198 1.00 20.00 H new ATOM 0 HE3 LYS A 41 39.177 35.785 18.890 1.00 20.00 H new ATOM 0 HZ1 LYS A 41 40.699 35.568 17.058 1.00 20.00 H new ATOM 0 HZ2 LYS A 41 41.556 35.846 18.497 1.00 20.00 H new ATOM 0 HZ3 LYS A 41 41.505 34.287 17.827 1.00 20.00 H new ATOM 570 N GLY A 42 43.033 29.466 22.479 1.00 20.00 N ATOM 571 CA GLY A 42 44.269 29.159 23.189 1.00 20.00 C ATOM 572 C GLY A 42 44.127 29.323 24.705 1.00 20.00 C ATOM 573 O GLY A 42 44.741 28.563 25.449 1.00 20.00 O ATOM 0 H GLY A 42 42.377 28.685 22.503 1.00 20.00 H new ATOM 0 HA2 GLY A 42 44.570 28.136 22.963 1.00 20.00 H new ATOM 0 HA3 GLY A 42 45.064 29.812 22.828 1.00 20.00 H new ATOM 577 N LYS A 43 43.286 30.270 25.154 1.00 20.00 N ATOM 578 CA LYS A 43 42.850 30.547 26.516 1.00 20.00 C ATOM 579 C LYS A 43 43.975 30.948 27.482 1.00 20.00 C ATOM 580 O LYS A 43 43.765 31.029 28.692 1.00 20.00 O ATOM 581 CB LYS A 43 42.028 29.354 27.002 1.00 20.00 C ATOM 582 CG LYS A 43 40.733 29.800 27.693 1.00 20.00 C ATOM 583 CD LYS A 43 40.114 28.718 28.592 1.00 20.00 C ATOM 584 CE LYS A 43 39.726 27.437 27.843 1.00 20.00 C ATOM 585 NZ LYS A 43 38.573 27.650 26.952 1.00 20.00 N ATOM 0 H LYS A 43 42.856 30.922 24.498 1.00 20.00 H new ATOM 0 HA LYS A 43 42.228 31.442 26.501 1.00 20.00 H new ATOM 0 HB2 LYS A 43 41.786 28.710 26.156 1.00 20.00 H new ATOM 0 HB3 LYS A 43 42.624 28.760 27.695 1.00 20.00 H new ATOM 0 HG2 LYS A 43 40.938 30.687 28.293 1.00 20.00 H new ATOM 0 HG3 LYS A 43 40.007 30.090 26.934 1.00 20.00 H new ATOM 0 HD2 LYS A 43 40.822 28.466 29.381 1.00 20.00 H new ATOM 0 HD3 LYS A 43 39.228 29.126 29.078 1.00 20.00 H new ATOM 0 HE2 LYS A 43 40.577 27.086 27.259 1.00 20.00 H new ATOM 0 HE3 LYS A 43 39.489 26.653 28.563 1.00 20.00 H new ATOM 0 HZ1 LYS A 43 38.468 26.832 26.319 1.00 20.00 H new ATOM 0 HZ2 LYS A 43 37.710 27.760 27.522 1.00 20.00 H new ATOM 0 HZ3 LYS A 43 38.726 28.509 26.386 1.00 20.00 H new ATOM 599 N GLY A 44 45.165 31.189 26.930 1.00 20.00 N ATOM 600 CA GLY A 44 46.401 31.477 27.648 1.00 20.00 C ATOM 601 C GLY A 44 47.231 30.226 27.976 1.00 20.00 C ATOM 602 O GLY A 44 48.228 30.339 28.688 1.00 20.00 O ATOM 0 H GLY A 44 45.296 31.188 25.918 1.00 20.00 H new ATOM 0 HA2 GLY A 44 47.007 32.158 27.051 1.00 20.00 H new ATOM 0 HA3 GLY A 44 46.159 31.995 28.576 1.00 20.00 H new ATOM 606 N GLY A 45 46.831 29.051 27.463 1.00 20.00 N ATOM 607 CA GLY A 45 47.493 27.759 27.625 1.00 20.00 C ATOM 608 C GLY A 45 48.807 27.632 26.854 1.00 20.00 C ATOM 609 O GLY A 45 49.413 28.634 26.469 1.00 20.00 O ATOM 0 H GLY A 45 45.988 28.980 26.893 1.00 20.00 H new ATOM 0 HA2 GLY A 45 47.688 27.593 28.684 1.00 20.00 H new ATOM 0 HA3 GLY A 45 46.814 26.971 27.298 1.00 20.00 H new ATOM 613 N GLU A 46 49.247 26.382 26.642 1.00 20.00 N ATOM 614 CA GLU A 46 50.474 26.083 25.889 1.00 20.00 C ATOM 615 C GLU A 46 50.249 25.018 24.812 1.00 20.00 C ATOM 616 O GLU A 46 49.189 24.394 24.765 1.00 20.00 O ATOM 617 CB GLU A 46 51.617 25.725 26.856 1.00 20.00 C ATOM 618 CG GLU A 46 51.559 24.309 27.452 1.00 20.00 C ATOM 619 CD GLU A 46 52.580 24.083 28.576 1.00 20.00 C ATOM 620 OE1 GLU A 46 53.584 24.830 28.636 1.00 20.00 O ATOM 621 OE2 GLU A 46 52.336 23.158 29.380 1.00 20.00 O ATOM 0 H GLU A 46 48.764 25.553 26.987 1.00 20.00 H new ATOM 0 HA GLU A 46 50.770 26.981 25.347 1.00 20.00 H new ATOM 0 HB2 GLU A 46 52.565 25.841 26.330 1.00 20.00 H new ATOM 0 HB3 GLU A 46 51.617 26.445 27.674 1.00 20.00 H new ATOM 0 HG2 GLU A 46 50.556 24.125 27.838 1.00 20.00 H new ATOM 0 HG3 GLU A 46 51.734 23.581 26.660 1.00 20.00 H new ATOM 628 N CYS A 47 51.261 24.806 23.958 1.00 20.00 N ATOM 629 CA CYS A 47 51.241 23.798 22.907 1.00 20.00 C ATOM 630 C CYS A 47 51.990 22.539 23.359 1.00 20.00 C ATOM 631 O CYS A 47 53.216 22.531 23.470 1.00 20.00 O ATOM 632 CB CYS A 47 51.755 24.372 21.590 1.00 20.00 C ATOM 633 SG CYS A 47 51.682 23.177 20.225 1.00 20.00 S ATOM 0 H CYS A 47 52.128 25.343 23.985 1.00 20.00 H new ATOM 0 HA CYS A 47 50.211 23.495 22.719 1.00 20.00 H new ATOM 0 HB2 CYS A 47 51.167 25.252 21.328 1.00 20.00 H new ATOM 0 HB3 CYS A 47 52.785 24.704 21.721 1.00 20.00 H new ATOM 638 N ASN A 48 51.212 21.488 23.634 1.00 20.00 N ATOM 639 CA ASN A 48 51.615 20.189 24.160 1.00 20.00 C ATOM 640 C ASN A 48 50.866 19.071 23.403 1.00 20.00 C ATOM 641 O ASN A 48 49.811 19.345 22.827 1.00 20.00 O ATOM 642 CB ASN A 48 51.368 20.188 25.682 1.00 20.00 C ATOM 643 CG ASN A 48 49.947 20.557 26.111 1.00 20.00 C ATOM 644 OD1 ASN A 48 49.134 19.687 26.400 1.00 20.00 O ATOM 645 ND2 ASN A 48 49.633 21.849 26.177 1.00 20.00 N ATOM 0 H ASN A 48 50.205 21.532 23.481 1.00 20.00 H new ATOM 0 HA ASN A 48 52.677 19.998 24.003 1.00 20.00 H new ATOM 0 HB2 ASN A 48 51.602 19.197 26.071 1.00 20.00 H new ATOM 0 HB3 ASN A 48 52.064 20.886 26.147 1.00 20.00 H new ATOM 0 HD21 ASN A 48 48.699 22.132 26.473 1.00 20.00 H new ATOM 0 HD22 ASN A 48 50.326 22.556 25.932 1.00 20.00 H new ATOM 652 N PRO A 49 51.389 17.828 23.361 1.00 20.00 N ATOM 653 CA PRO A 49 50.872 16.759 22.501 1.00 20.00 C ATOM 654 C PRO A 49 49.472 16.272 22.904 1.00 20.00 C ATOM 655 O PRO A 49 49.012 16.521 24.017 1.00 20.00 O ATOM 656 CB PRO A 49 51.907 15.631 22.572 1.00 20.00 C ATOM 657 CG PRO A 49 52.597 15.873 23.907 1.00 20.00 C ATOM 658 CD PRO A 49 52.615 17.391 24.008 1.00 20.00 C ATOM 0 HA PRO A 49 50.740 17.127 21.484 1.00 20.00 H new ATOM 0 HB2 PRO A 49 51.435 14.649 22.535 1.00 20.00 H new ATOM 0 HB3 PRO A 49 52.611 15.678 21.741 1.00 20.00 H new ATOM 0 HG2 PRO A 49 52.050 15.419 24.733 1.00 20.00 H new ATOM 0 HG3 PRO A 49 53.603 15.455 23.924 1.00 20.00 H new ATOM 0 HD2 PRO A 49 52.650 17.717 25.048 1.00 20.00 H new ATOM 0 HD3 PRO A 49 53.492 17.809 23.514 1.00 20.00 H new ATOM 666 N LEU A 50 48.812 15.538 21.995 1.00 20.00 N ATOM 667 CA LEU A 50 47.474 14.970 22.165 1.00 20.00 C ATOM 668 C LEU A 50 47.398 13.965 23.332 1.00 20.00 C ATOM 669 O LEU A 50 46.308 13.739 23.854 1.00 20.00 O ATOM 670 CB LEU A 50 47.028 14.304 20.848 1.00 20.00 C ATOM 671 CG LEU A 50 46.754 15.285 19.686 1.00 20.00 C ATOM 672 CD1 LEU A 50 46.535 14.529 18.372 1.00 20.00 C ATOM 673 CD2 LEU A 50 45.535 16.180 19.944 1.00 20.00 C ATOM 0 H LEU A 50 49.217 15.317 21.085 1.00 20.00 H new ATOM 0 HA LEU A 50 46.798 15.787 22.416 1.00 20.00 H new ATOM 0 HB2 LEU A 50 47.798 13.598 20.535 1.00 20.00 H new ATOM 0 HB3 LEU A 50 46.124 13.726 21.038 1.00 20.00 H new ATOM 0 HG LEU A 50 47.638 15.919 19.614 1.00 20.00 H new ATOM 0 HD11 LEU A 50 46.344 15.242 17.570 1.00 20.00 H new ATOM 0 HD12 LEU A 50 47.425 13.946 18.135 1.00 20.00 H new ATOM 0 HD13 LEU A 50 45.680 13.861 18.475 1.00 20.00 H new ATOM 0 HD21 LEU A 50 45.389 16.849 19.096 1.00 20.00 H new ATOM 0 HD22 LEU A 50 44.649 15.559 20.073 1.00 20.00 H new ATOM 0 HD23 LEU A 50 45.700 16.769 20.846 1.00 20.00 H new ATOM 685 N ASP A 51 48.534 13.392 23.763 1.00 20.00 N ATOM 686 CA ASP A 51 48.640 12.395 24.829 1.00 20.00 C ATOM 687 C ASP A 51 49.059 12.996 26.190 1.00 20.00 C ATOM 688 O ASP A 51 49.338 12.246 27.124 1.00 20.00 O ATOM 689 CB ASP A 51 49.583 11.271 24.358 1.00 20.00 C ATOM 690 CG ASP A 51 49.507 10.012 25.228 1.00 20.00 C ATOM 691 OD1 ASP A 51 50.583 9.539 25.652 1.00 20.00 O ATOM 692 OD2 ASP A 51 48.372 9.529 25.449 1.00 20.00 O ATOM 0 H ASP A 51 49.440 13.625 23.357 1.00 20.00 H new ATOM 0 HA ASP A 51 47.650 11.979 25.017 1.00 20.00 H new ATOM 0 HB2 ASP A 51 49.338 11.008 23.329 1.00 20.00 H new ATOM 0 HB3 ASP A 51 50.608 11.642 24.357 1.00 20.00 H new ATOM 697 N ARG A 52 49.085 14.332 26.331 1.00 20.00 N ATOM 698 CA ARG A 52 49.357 15.075 27.572 1.00 20.00 C ATOM 699 C ARG A 52 48.166 15.052 28.565 1.00 20.00 C ATOM 700 O ARG A 52 47.903 16.010 29.287 1.00 20.00 O ATOM 701 CB ARG A 52 49.750 16.507 27.187 1.00 20.00 C ATOM 702 CG ARG A 52 50.443 17.272 28.328 1.00 20.00 C ATOM 703 CD ARG A 52 51.978 17.244 28.273 1.00 20.00 C ATOM 704 NE ARG A 52 52.560 18.461 28.867 1.00 20.00 N ATOM 705 CZ ARG A 52 52.486 18.860 30.149 1.00 20.00 C ATOM 706 NH1 ARG A 52 51.933 18.107 31.104 1.00 20.00 N ATOM 707 NH2 ARG A 52 52.970 20.055 30.490 1.00 20.00 N ATOM 0 H ARG A 52 48.908 14.954 25.542 1.00 20.00 H new ATOM 0 HA ARG A 52 50.175 14.589 28.105 1.00 20.00 H new ATOM 0 HB2 ARG A 52 50.414 16.475 26.323 1.00 20.00 H new ATOM 0 HB3 ARG A 52 48.857 17.053 26.882 1.00 20.00 H new ATOM 0 HG2 ARG A 52 50.110 18.310 28.307 1.00 20.00 H new ATOM 0 HG3 ARG A 52 50.118 16.852 29.280 1.00 20.00 H new ATOM 0 HD2 ARG A 52 52.347 16.366 28.804 1.00 20.00 H new ATOM 0 HD3 ARG A 52 52.305 17.151 27.237 1.00 20.00 H new ATOM 0 HE ARG A 52 53.078 19.070 28.233 1.00 20.00 H new ATOM 0 HH11 ARG A 52 51.547 17.192 30.872 1.00 20.00 H new ATOM 0 HH12 ARG A 52 51.897 18.447 32.065 1.00 20.00 H new ATOM 0 HH21 ARG A 52 53.391 20.656 29.781 1.00 20.00 H new ATOM 0 HH22 ARG A 52 52.919 20.368 31.459 1.00 20.00 H new ATOM 721 N GLN A 53 47.421 13.947 28.575 1.00 20.00 N ATOM 722 CA GLN A 53 46.230 13.630 29.371 1.00 20.00 C ATOM 723 C GLN A 53 45.001 14.511 29.061 1.00 20.00 C ATOM 724 O GLN A 53 43.908 14.222 29.544 1.00 20.00 O ATOM 725 CB GLN A 53 46.603 13.627 30.867 1.00 20.00 C ATOM 726 CG GLN A 53 45.714 12.701 31.704 1.00 20.00 C ATOM 727 CD GLN A 53 46.040 12.811 33.191 1.00 20.00 C ATOM 728 OE1 GLN A 53 45.262 13.351 33.974 1.00 20.00 O ATOM 729 NE2 GLN A 53 47.195 12.295 33.606 1.00 20.00 N ATOM 0 H GLN A 53 47.660 13.168 27.962 1.00 20.00 H new ATOM 0 HA GLN A 53 45.902 12.631 29.082 1.00 20.00 H new ATOM 0 HB2 GLN A 53 47.643 13.319 30.976 1.00 20.00 H new ATOM 0 HB3 GLN A 53 46.529 14.642 31.256 1.00 20.00 H new ATOM 0 HG2 GLN A 53 44.666 12.954 31.540 1.00 20.00 H new ATOM 0 HG3 GLN A 53 45.849 11.670 31.376 1.00 20.00 H new ATOM 0 HE21 GLN A 53 47.825 11.851 32.937 1.00 20.00 H new ATOM 0 HE22 GLN A 53 47.450 12.343 34.592 1.00 20.00 H new ATOM 738 N CYS A 54 45.158 15.571 28.257 1.00 20.00 N ATOM 739 CA CYS A 54 44.108 16.496 27.863 1.00 20.00 C ATOM 740 C CYS A 54 43.169 15.864 26.832 1.00 20.00 C ATOM 741 O CYS A 54 43.597 15.078 25.986 1.00 20.00 O ATOM 742 CB CYS A 54 44.776 17.706 27.216 1.00 20.00 C ATOM 743 SG CYS A 54 46.048 18.590 28.167 1.00 20.00 S ATOM 0 H CYS A 54 46.062 15.810 27.850 1.00 20.00 H new ATOM 0 HA CYS A 54 43.526 16.769 28.743 1.00 20.00 H new ATOM 0 HB2 CYS A 54 45.228 17.377 26.280 1.00 20.00 H new ATOM 0 HB3 CYS A 54 43.994 18.421 26.959 1.00 20.00 H new ATOM 748 N LYS A 55 41.898 16.279 26.871 1.00 20.00 N ATOM 749 CA LYS A 55 40.866 15.918 25.914 1.00 20.00 C ATOM 750 C LYS A 55 39.832 17.044 25.789 1.00 20.00 C ATOM 751 O LYS A 55 39.138 17.374 26.752 1.00 20.00 O ATOM 752 CB LYS A 55 40.204 14.615 26.374 1.00 20.00 C ATOM 753 CG LYS A 55 39.440 13.949 25.220 1.00 20.00 C ATOM 754 CD LYS A 55 40.375 13.118 24.327 1.00 20.00 C ATOM 755 CE LYS A 55 39.688 12.652 23.042 1.00 20.00 C ATOM 756 NZ LYS A 55 38.563 11.726 23.301 1.00 20.00 N ATOM 0 H LYS A 55 41.554 16.901 27.603 1.00 20.00 H new ATOM 0 HA LYS A 55 41.310 15.770 24.930 1.00 20.00 H new ATOM 0 HB2 LYS A 55 40.963 13.932 26.755 1.00 20.00 H new ATOM 0 HB3 LYS A 55 39.520 14.821 27.197 1.00 20.00 H new ATOM 0 HG2 LYS A 55 38.657 13.308 25.624 1.00 20.00 H new ATOM 0 HG3 LYS A 55 38.948 14.714 24.620 1.00 20.00 H new ATOM 0 HD2 LYS A 55 41.253 13.712 24.072 1.00 20.00 H new ATOM 0 HD3 LYS A 55 40.728 12.250 24.883 1.00 20.00 H new ATOM 0 HE2 LYS A 55 39.320 13.521 22.496 1.00 20.00 H new ATOM 0 HE3 LYS A 55 40.419 12.159 22.402 1.00 20.00 H new ATOM 0 HZ1 LYS A 55 38.133 11.441 22.398 1.00 20.00 H new ATOM 0 HZ2 LYS A 55 38.915 10.883 23.798 1.00 20.00 H new ATOM 0 HZ3 LYS A 55 37.850 12.202 23.889 1.00 20.00 H new ATOM 770 N GLU A 56 39.749 17.630 24.591 1.00 20.00 N ATOM 771 CA GLU A 56 38.823 18.707 24.238 1.00 20.00 C ATOM 772 C GLU A 56 38.665 18.785 22.704 1.00 20.00 C ATOM 773 O GLU A 56 39.181 17.937 21.973 1.00 20.00 O ATOM 774 CB GLU A 56 39.334 20.031 24.853 1.00 20.00 C ATOM 775 CG GLU A 56 38.296 21.148 25.083 1.00 20.00 C ATOM 776 CD GLU A 56 37.112 20.700 25.938 1.00 20.00 C ATOM 777 OE1 GLU A 56 37.193 20.872 27.175 1.00 20.00 O ATOM 778 OE2 GLU A 56 36.133 20.189 25.351 1.00 20.00 O ATOM 0 H GLU A 56 40.348 17.356 23.812 1.00 20.00 H new ATOM 0 HA GLU A 56 37.832 18.510 24.646 1.00 20.00 H new ATOM 0 HB2 GLU A 56 39.800 19.801 25.811 1.00 20.00 H new ATOM 0 HB3 GLU A 56 40.116 20.425 24.204 1.00 20.00 H new ATOM 0 HG2 GLU A 56 38.784 21.995 25.564 1.00 20.00 H new ATOM 0 HG3 GLU A 56 37.928 21.498 24.118 1.00 20.00 H new ATOM 785 N LEU A 57 37.944 19.803 22.213 1.00 20.00 N ATOM 786 CA LEU A 57 37.740 20.115 20.800 1.00 20.00 C ATOM 787 C LEU A 57 39.056 20.327 20.034 1.00 20.00 C ATOM 788 O LEU A 57 40.075 20.691 20.622 1.00 20.00 O ATOM 789 CB LEU A 57 36.805 21.331 20.682 1.00 20.00 C ATOM 790 CG LEU A 57 37.344 22.669 21.229 1.00 20.00 C ATOM 791 CD1 LEU A 57 38.086 23.498 20.180 1.00 20.00 C ATOM 792 CD2 LEU A 57 36.187 23.527 21.762 1.00 20.00 C ATOM 0 H LEU A 57 37.465 20.462 22.826 1.00 20.00 H new ATOM 0 HA LEU A 57 37.272 19.252 20.327 1.00 20.00 H new ATOM 0 HB2 LEU A 57 36.555 21.468 19.630 1.00 20.00 H new ATOM 0 HB3 LEU A 57 35.876 21.099 21.203 1.00 20.00 H new ATOM 0 HG LEU A 57 38.047 22.403 22.019 1.00 20.00 H new ATOM 0 HD11 LEU A 57 38.438 24.425 20.632 1.00 20.00 H new ATOM 0 HD12 LEU A 57 38.938 22.931 19.804 1.00 20.00 H new ATOM 0 HD13 LEU A 57 37.412 23.729 19.355 1.00 20.00 H new ATOM 0 HD21 LEU A 57 36.579 24.469 22.146 1.00 20.00 H new ATOM 0 HD22 LEU A 57 35.482 23.729 20.955 1.00 20.00 H new ATOM 0 HD23 LEU A 57 35.677 22.993 22.564 1.00 20.00 H new ATOM 804 N GLN A 58 38.988 20.170 18.705 1.00 20.00 N ATOM 805 CA GLN A 58 40.051 20.412 17.740 1.00 20.00 C ATOM 806 C GLN A 58 39.691 21.457 16.675 1.00 20.00 C ATOM 807 O GLN A 58 40.530 21.782 15.841 1.00 20.00 O ATOM 808 CB GLN A 58 40.522 19.073 17.174 1.00 20.00 C ATOM 809 CG GLN A 58 39.520 18.364 16.260 1.00 20.00 C ATOM 810 CD GLN A 58 40.088 17.041 15.729 1.00 20.00 C ATOM 811 OE1 GLN A 58 40.605 16.226 16.490 1.00 20.00 O ATOM 812 NE2 GLN A 58 39.986 16.792 14.422 1.00 20.00 N ATOM 0 H GLN A 58 38.131 19.850 18.254 1.00 20.00 H new ATOM 0 HA GLN A 58 40.893 20.876 18.255 1.00 20.00 H new ATOM 0 HB2 GLN A 58 41.445 19.236 16.617 1.00 20.00 H new ATOM 0 HB3 GLN A 58 40.764 18.410 18.005 1.00 20.00 H new ATOM 0 HG2 GLN A 58 38.597 18.172 16.808 1.00 20.00 H new ATOM 0 HG3 GLN A 58 39.265 19.014 15.423 1.00 20.00 H new ATOM 0 HE21 GLN A 58 39.554 17.479 13.804 1.00 20.00 H new ATOM 0 HE22 GLN A 58 40.340 15.915 14.041 1.00 20.00 H new ATOM 821 N ALA A 59 38.475 22.018 16.726 1.00 20.00 N ATOM 822 CA ALA A 59 37.982 23.073 15.839 1.00 20.00 C ATOM 823 C ALA A 59 38.692 24.429 15.999 1.00 20.00 C ATOM 824 O ALA A 59 38.482 25.303 15.159 1.00 20.00 O ATOM 825 CB ALA A 59 36.476 23.236 16.084 1.00 20.00 C ATOM 0 H ALA A 59 37.781 21.735 17.417 1.00 20.00 H new ATOM 0 HA ALA A 59 38.197 22.760 14.817 1.00 20.00 H new ATOM 0 HB1 ALA A 59 36.084 24.018 15.434 1.00 20.00 H new ATOM 0 HB2 ALA A 59 35.968 22.296 15.868 1.00 20.00 H new ATOM 0 HB3 ALA A 59 36.304 23.510 17.125 1.00 20.00 H new ATOM 831 N GLU A 60 39.535 24.601 17.030 1.00 20.00 N ATOM 832 CA GLU A 60 40.273 25.834 17.322 1.00 20.00 C ATOM 833 C GLU A 60 41.736 25.542 17.669 1.00 20.00 C ATOM 834 O GLU A 60 42.631 26.256 17.214 1.00 20.00 O ATOM 835 CB GLU A 60 39.636 26.568 18.511 1.00 20.00 C ATOM 836 CG GLU A 60 38.227 27.078 18.208 1.00 20.00 C ATOM 837 CD GLU A 60 37.704 27.966 19.333 1.00 20.00 C ATOM 838 OE1 GLU A 60 38.296 29.050 19.528 1.00 20.00 O ATOM 839 OE2 GLU A 60 36.713 27.562 19.979 1.00 20.00 O ATOM 0 H GLU A 60 39.726 23.859 17.704 1.00 20.00 H new ATOM 0 HA GLU A 60 40.232 26.453 16.426 1.00 20.00 H new ATOM 0 HB2 GLU A 60 39.597 25.896 19.368 1.00 20.00 H new ATOM 0 HB3 GLU A 60 40.269 27.409 18.794 1.00 20.00 H new ATOM 0 HG2 GLU A 60 38.234 27.638 17.273 1.00 20.00 H new ATOM 0 HG3 GLU A 60 37.554 26.232 18.067 1.00 20.00 H new ATOM 846 N SER A 61 41.971 24.500 18.479 1.00 20.00 N ATOM 847 CA SER A 61 43.285 24.098 18.982 1.00 20.00 C ATOM 848 C SER A 61 44.266 23.660 17.882 1.00 20.00 C ATOM 849 O SER A 61 45.473 23.650 18.113 1.00 20.00 O ATOM 850 CB SER A 61 43.084 22.990 20.006 1.00 20.00 C ATOM 851 OG SER A 61 42.705 21.799 19.365 1.00 20.00 O ATOM 0 H SER A 61 41.221 23.894 18.812 1.00 20.00 H new ATOM 0 HA SER A 61 43.749 24.972 19.439 1.00 20.00 H new ATOM 0 HB2 SER A 61 44.005 22.832 20.567 1.00 20.00 H new ATOM 0 HB3 SER A 61 42.319 23.284 20.725 1.00 20.00 H new ATOM 0 HG SER A 61 43.490 21.224 19.253 1.00 20.00 H new ATOM 857 N ALA A 62 43.758 23.364 16.676 1.00 20.00 N ATOM 858 CA ALA A 62 44.504 23.091 15.451 1.00 20.00 C ATOM 859 C ALA A 62 45.390 24.265 14.980 1.00 20.00 C ATOM 860 O ALA A 62 46.116 24.119 13.997 1.00 20.00 O ATOM 861 CB ALA A 62 43.482 22.715 14.374 1.00 20.00 C ATOM 0 H ALA A 62 42.751 23.307 16.527 1.00 20.00 H new ATOM 0 HA ALA A 62 45.204 22.279 15.647 1.00 20.00 H new ATOM 0 HB1 ALA A 62 44.000 22.503 13.439 1.00 20.00 H new ATOM 0 HB2 ALA A 62 42.928 21.831 14.691 1.00 20.00 H new ATOM 0 HB3 ALA A 62 42.789 23.543 14.225 1.00 20.00 H new ATOM 867 N SER A 63 45.359 25.407 15.686 1.00 20.00 N ATOM 868 CA SER A 63 46.235 26.561 15.499 1.00 20.00 C ATOM 869 C SER A 63 47.725 26.203 15.625 1.00 20.00 C ATOM 870 O SER A 63 48.519 26.710 14.833 1.00 20.00 O ATOM 871 CB SER A 63 45.874 27.651 16.517 1.00 20.00 C ATOM 872 OG SER A 63 44.579 28.165 16.277 1.00 20.00 O ATOM 0 H SER A 63 44.686 25.551 16.439 1.00 20.00 H new ATOM 0 HA SER A 63 46.079 26.924 14.483 1.00 20.00 H new ATOM 0 HB2 SER A 63 45.924 27.241 17.526 1.00 20.00 H new ATOM 0 HB3 SER A 63 46.604 28.458 16.464 1.00 20.00 H new ATOM 0 HG SER A 63 43.909 27.522 16.591 1.00 20.00 H new ATOM 878 N CYS A 64 48.110 25.327 16.575 1.00 20.00 N ATOM 879 CA CYS A 64 49.488 24.831 16.682 1.00 20.00 C ATOM 880 C CYS A 64 49.819 23.767 15.623 1.00 20.00 C ATOM 881 O CYS A 64 50.991 23.459 15.410 1.00 20.00 O ATOM 882 CB CYS A 64 49.754 24.232 18.071 1.00 20.00 C ATOM 883 SG CYS A 64 51.513 24.299 18.534 1.00 20.00 S ATOM 0 H CYS A 64 47.478 24.949 17.281 1.00 20.00 H new ATOM 0 HA CYS A 64 50.128 25.697 16.516 1.00 20.00 H new ATOM 0 HB2 CYS A 64 49.165 24.770 18.814 1.00 20.00 H new ATOM 0 HB3 CYS A 64 49.417 23.196 18.087 1.00 20.00 H new ATOM 888 N GLY A 65 48.791 23.198 14.982 1.00 20.00 N ATOM 889 CA GLY A 65 48.869 22.064 14.073 1.00 20.00 C ATOM 890 C GLY A 65 48.340 20.786 14.729 1.00 20.00 C ATOM 891 O GLY A 65 47.841 20.808 15.857 1.00 20.00 O ATOM 0 H GLY A 65 47.836 23.539 15.094 1.00 20.00 H new ATOM 0 HA2 GLY A 65 48.294 22.277 13.172 1.00 20.00 H new ATOM 0 HA3 GLY A 65 49.903 21.915 13.763 1.00 20.00 H new ATOM 895 N LYS A 66 48.461 19.671 13.994 1.00 20.00 N ATOM 896 CA LYS A 66 48.114 18.323 14.433 1.00 20.00 C ATOM 897 C LYS A 66 49.043 17.898 15.573 1.00 20.00 C ATOM 898 O LYS A 66 50.191 17.510 15.352 1.00 20.00 O ATOM 899 CB LYS A 66 48.164 17.372 13.222 1.00 20.00 C ATOM 900 CG LYS A 66 47.524 16.000 13.492 1.00 20.00 C ATOM 901 CD LYS A 66 45.988 16.074 13.555 1.00 20.00 C ATOM 902 CE LYS A 66 45.357 14.682 13.659 1.00 20.00 C ATOM 903 NZ LYS A 66 45.570 14.072 14.984 1.00 20.00 N ATOM 0 H LYS A 66 48.819 19.691 13.039 1.00 20.00 H new ATOM 0 HA LYS A 66 47.099 18.290 14.829 1.00 20.00 H new ATOM 0 HB2 LYS A 66 47.656 17.842 12.380 1.00 20.00 H new ATOM 0 HB3 LYS A 66 49.203 17.227 12.926 1.00 20.00 H new ATOM 0 HG2 LYS A 66 47.820 15.303 12.708 1.00 20.00 H new ATOM 0 HG3 LYS A 66 47.905 15.603 14.433 1.00 20.00 H new ATOM 0 HD2 LYS A 66 45.688 16.675 14.414 1.00 20.00 H new ATOM 0 HD3 LYS A 66 45.611 16.579 12.665 1.00 20.00 H new ATOM 0 HE2 LYS A 66 44.287 14.754 13.462 1.00 20.00 H new ATOM 0 HE3 LYS A 66 45.780 14.035 12.891 1.00 20.00 H new ATOM 0 HZ1 LYS A 66 45.126 13.132 15.009 1.00 20.00 H new ATOM 0 HZ2 LYS A 66 46.590 13.978 15.163 1.00 20.00 H new ATOM 0 HZ3 LYS A 66 45.144 14.675 15.716 1.00 20.00 H new ATOM 917 N GLY A 67 48.525 18.013 16.799 1.00 20.00 N ATOM 918 CA GLY A 67 49.243 17.763 18.039 1.00 20.00 C ATOM 919 C GLY A 67 48.652 18.521 19.231 1.00 20.00 C ATOM 920 O GLY A 67 48.820 18.068 20.358 1.00 20.00 O ATOM 0 H GLY A 67 47.557 18.294 16.954 1.00 20.00 H new ATOM 0 HA2 GLY A 67 49.230 16.694 18.252 1.00 20.00 H new ATOM 0 HA3 GLY A 67 50.287 18.050 17.913 1.00 20.00 H new ATOM 924 N GLN A 68 47.955 19.645 19.006 1.00 20.00 N ATOM 925 CA GLN A 68 47.436 20.500 20.070 1.00 20.00 C ATOM 926 C GLN A 68 45.924 20.337 20.239 1.00 20.00 C ATOM 927 O GLN A 68 45.169 20.289 19.268 1.00 20.00 O ATOM 928 CB GLN A 68 47.845 21.949 19.774 1.00 20.00 C ATOM 929 CG GLN A 68 47.235 23.040 20.674 1.00 20.00 C ATOM 930 CD GLN A 68 47.487 22.877 22.170 1.00 20.00 C ATOM 931 OE1 GLN A 68 48.347 22.115 22.598 1.00 20.00 O ATOM 932 NE2 GLN A 68 46.712 23.589 22.982 1.00 20.00 N ATOM 0 H GLN A 68 47.737 19.984 18.069 1.00 20.00 H new ATOM 0 HA GLN A 68 47.868 20.203 21.026 1.00 20.00 H new ATOM 0 HB2 GLN A 68 48.931 22.017 19.846 1.00 20.00 H new ATOM 0 HB3 GLN A 68 47.579 22.173 18.741 1.00 20.00 H new ATOM 0 HG2 GLN A 68 47.629 24.007 20.361 1.00 20.00 H new ATOM 0 HG3 GLN A 68 46.158 23.065 20.506 1.00 20.00 H new ATOM 0 HE21 GLN A 68 46.006 24.214 22.594 1.00 20.00 H new ATOM 0 HE22 GLN A 68 46.824 23.510 23.993 1.00 20.00 H new ATOM 941 N LYS A 69 45.516 20.301 21.513 1.00 20.00 N ATOM 942 CA LYS A 69 44.149 20.243 22.012 1.00 20.00 C ATOM 943 C LYS A 69 43.940 21.257 23.141 1.00 20.00 C ATOM 944 O LYS A 69 44.809 21.418 23.995 1.00 20.00 O ATOM 945 CB LYS A 69 43.789 18.808 22.417 1.00 20.00 C ATOM 946 CG LYS A 69 44.480 18.198 23.651 1.00 20.00 C ATOM 947 CD LYS A 69 45.990 17.925 23.640 1.00 20.00 C ATOM 948 CE LYS A 69 46.784 18.730 24.672 1.00 20.00 C ATOM 949 NZ LYS A 69 47.291 20.005 24.160 1.00 20.00 N ATOM 0 H LYS A 69 46.192 20.313 22.277 1.00 20.00 H new ATOM 0 HA LYS A 69 43.462 20.526 21.215 1.00 20.00 H new ATOM 0 HB2 LYS A 69 42.713 18.772 22.588 1.00 20.00 H new ATOM 0 HB3 LYS A 69 43.999 18.161 21.566 1.00 20.00 H new ATOM 0 HG2 LYS A 69 44.278 18.860 24.493 1.00 20.00 H new ATOM 0 HG3 LYS A 69 43.983 17.251 23.864 1.00 20.00 H new ATOM 0 HD2 LYS A 69 46.156 16.863 23.819 1.00 20.00 H new ATOM 0 HD3 LYS A 69 46.380 18.146 22.646 1.00 20.00 H new ATOM 0 HE2 LYS A 69 46.149 18.922 25.537 1.00 20.00 H new ATOM 0 HE3 LYS A 69 47.624 18.129 25.021 1.00 20.00 H new ATOM 0 HZ1 LYS A 69 47.803 20.504 24.916 1.00 20.00 H new ATOM 0 HZ2 LYS A 69 47.936 19.828 23.364 1.00 20.00 H new ATOM 0 HZ3 LYS A 69 46.495 20.591 23.837 1.00 20.00 H new ATOM 963 N CYS A 70 42.789 21.938 23.136 1.00 20.00 N ATOM 964 CA CYS A 70 42.436 22.978 24.103 1.00 20.00 C ATOM 965 C CYS A 70 42.525 22.455 25.550 1.00 20.00 C ATOM 966 O CYS A 70 41.743 21.588 25.933 1.00 20.00 O ATOM 967 CB CYS A 70 41.043 23.535 23.772 1.00 20.00 C ATOM 968 SG CYS A 70 40.662 25.088 24.631 1.00 20.00 S ATOM 0 H CYS A 70 42.060 21.776 22.441 1.00 20.00 H new ATOM 0 HA CYS A 70 43.156 23.793 24.029 1.00 20.00 H new ATOM 0 HB2 CYS A 70 40.971 23.697 22.696 1.00 20.00 H new ATOM 0 HB3 CYS A 70 40.291 22.790 24.033 1.00 20.00 H new ATOM 973 N CYS A 71 43.505 22.932 26.337 1.00 20.00 N ATOM 974 CA CYS A 71 43.837 22.364 27.646 1.00 20.00 C ATOM 975 C CYS A 71 44.135 23.443 28.690 1.00 20.00 C ATOM 976 O CYS A 71 45.284 23.625 29.087 1.00 20.00 O ATOM 977 CB CYS A 71 44.991 21.359 27.499 1.00 20.00 C ATOM 978 SG CYS A 71 45.086 20.221 28.912 1.00 20.00 S ATOM 0 H CYS A 71 44.089 23.727 26.077 1.00 20.00 H new ATOM 0 HA CYS A 71 42.963 21.830 28.019 1.00 20.00 H new ATOM 0 HB2 CYS A 71 44.859 20.787 26.581 1.00 20.00 H new ATOM 0 HB3 CYS A 71 45.933 21.900 27.405 1.00 20.00 H new ATOM 983 N VAL A 72 43.096 24.152 29.147 1.00 20.00 N ATOM 984 CA VAL A 72 43.191 25.230 30.123 1.00 20.00 C ATOM 985 C VAL A 72 41.999 25.162 31.071 1.00 20.00 C ATOM 986 O VAL A 72 40.864 25.381 30.653 1.00 20.00 O ATOM 987 CB VAL A 72 43.292 26.596 29.419 1.00 20.00 C ATOM 988 CG1 VAL A 72 43.481 27.726 30.437 1.00 20.00 C ATOM 989 CG2 VAL A 72 44.471 26.658 28.446 1.00 20.00 C ATOM 0 H VAL A 72 42.140 23.982 28.835 1.00 20.00 H new ATOM 0 HA VAL A 72 44.101 25.110 30.711 1.00 20.00 H new ATOM 0 HB VAL A 72 42.358 26.719 28.871 1.00 20.00 H new ATOM 0 HG11 VAL A 72 43.549 28.680 29.914 1.00 20.00 H new ATOM 0 HG12 VAL A 72 42.631 27.747 31.119 1.00 20.00 H new ATOM 0 HG13 VAL A 72 44.397 27.556 31.003 1.00 20.00 H new ATOM 0 HG21 VAL A 72 44.502 27.640 27.974 1.00 20.00 H new ATOM 0 HG22 VAL A 72 45.400 26.488 28.989 1.00 20.00 H new ATOM 0 HG23 VAL A 72 44.352 25.891 27.681 1.00 20.00 H new ATOM 999 N TRP A 73 42.264 24.869 32.348 1.00 20.00 N ATOM 1000 CA TRP A 73 41.278 24.763 33.421 1.00 20.00 C ATOM 1001 C TRP A 73 40.825 26.114 33.982 1.00 20.00 C ATOM 1002 O TRP A 73 39.873 26.171 34.762 1.00 20.00 O ATOM 1003 CB TRP A 73 41.861 23.882 34.532 1.00 20.00 C ATOM 1004 CG TRP A 73 42.492 22.607 34.074 1.00 20.00 C ATOM 1005 CD1 TRP A 73 41.894 21.644 33.341 1.00 20.00 C ATOM 1006 CD2 TRP A 73 43.864 22.133 34.295 1.00 20.00 C ATOM 1007 NE1 TRP A 73 42.786 20.622 33.086 1.00 20.00 N ATOM 1008 CE2 TRP A 73 44.017 20.865 33.649 1.00 20.00 C ATOM 1009 CE3 TRP A 73 44.987 22.649 34.961 1.00 20.00 C ATOM 1010 CZ2 TRP A 73 45.219 20.141 33.689 1.00 20.00 C ATOM 1011 CZ3 TRP A 73 46.212 21.930 35.000 1.00 20.00 C ATOM 1012 CH2 TRP A 73 46.317 20.680 34.373 1.00 20.00 C ATOM 0 H TRP A 73 43.214 24.692 32.673 1.00 20.00 H new ATOM 0 HA TRP A 73 40.379 24.313 32.999 1.00 20.00 H new ATOM 0 HB2 TRP A 73 42.606 24.461 35.078 1.00 20.00 H new ATOM 0 HB3 TRP A 73 41.065 23.641 35.237 1.00 20.00 H new ATOM 0 HD1 TRP A 73 40.868 21.669 33.004 1.00 20.00 H new ATOM 0 HE1 TRP A 73 42.560 19.787 32.545 1.00 20.00 H new ATOM 0 HE3 TRP A 73 44.919 23.609 35.452 1.00 20.00 H new ATOM 0 HZ2 TRP A 73 45.297 19.182 33.199 1.00 20.00 H new ATOM 0 HZ3 TRP A 73 47.065 22.348 35.514 1.00 20.00 H new ATOM 0 HH2 TRP A 73 47.246 20.131 34.417 1.00 20.00 H new ATOM 1023 N LEU A 74 41.496 27.188 33.561 1.00 20.00 N ATOM 1024 CA LEU A 74 41.223 28.582 33.902 1.00 20.00 C ATOM 1025 C LEU A 74 40.104 29.141 33.011 1.00 20.00 C ATOM 1026 O LEU A 74 39.863 28.616 31.922 1.00 20.00 O ATOM 1027 CB LEU A 74 42.539 29.361 33.740 1.00 20.00 C ATOM 1028 CG LEU A 74 42.605 30.702 34.486 1.00 20.00 C ATOM 1029 CD1 LEU A 74 42.673 30.526 35.998 1.00 20.00 C ATOM 1030 CD2 LEU A 74 43.838 31.493 34.040 1.00 20.00 C ATOM 0 H LEU A 74 42.295 27.100 32.933 1.00 20.00 H new ATOM 0 HA LEU A 74 40.872 28.676 34.930 1.00 20.00 H new ATOM 0 HB2 LEU A 74 43.359 28.732 34.085 1.00 20.00 H new ATOM 0 HB3 LEU A 74 42.704 29.546 32.679 1.00 20.00 H new ATOM 0 HG LEU A 74 41.688 31.238 34.241 1.00 20.00 H new ATOM 0 HD11 LEU A 74 42.718 31.504 36.477 1.00 20.00 H new ATOM 0 HD12 LEU A 74 41.786 29.994 36.343 1.00 20.00 H new ATOM 0 HD13 LEU A 74 43.563 29.954 36.258 1.00 20.00 H new ATOM 0 HD21 LEU A 74 43.875 32.442 34.575 1.00 20.00 H new ATOM 0 HD22 LEU A 74 44.738 30.918 34.259 1.00 20.00 H new ATOM 0 HD23 LEU A 74 43.780 31.683 32.968 1.00 20.00 H new ATOM 1042 N HIS A 75 39.475 30.234 33.468 1.00 20.00 N ATOM 1043 CA HIS A 75 38.454 31.025 32.777 1.00 20.00 C ATOM 1044 C HIS A 75 37.368 30.148 32.128 1.00 20.00 C ATOM 1045 O HIS A 75 37.252 30.148 30.883 1.00 20.00 O ATOM 1046 CB HIS A 75 39.156 32.013 31.830 1.00 20.00 C ATOM 1047 CG HIS A 75 38.282 33.153 31.377 1.00 20.00 C ATOM 1048 ND1 HIS A 75 38.067 34.327 32.074 1.00 20.00 N ATOM 1049 CD2 HIS A 75 37.585 33.220 30.205 1.00 20.00 C ATOM 1050 CE1 HIS A 75 37.247 35.095 31.333 1.00 20.00 C ATOM 1051 NE2 HIS A 75 36.948 34.445 30.193 1.00 20.00 N ATOM 1052 OXT HIS A 75 36.663 29.467 32.906 1.00 20.00 O ATOM 0 H HIS A 75 39.682 30.611 34.393 1.00 20.00 H new ATOM 0 HA HIS A 75 37.886 31.618 33.494 1.00 20.00 H new ATOM 0 HB2 HIS A 75 40.035 32.419 32.331 1.00 20.00 H new ATOM 0 HB3 HIS A 75 39.511 31.471 30.954 1.00 20.00 H new ATOM 0 HD2 HIS A 75 37.541 32.462 29.437 1.00 20.00 H new ATOM 0 HE1 HIS A 75 36.887 36.075 31.609 1.00 20.00 H new ATOM 0 HE2 HIS A 75 36.351 34.798 29.445 1.00 20.00 H new TER 1061 HIS A 75