USER MOD reduce.3.24.130724 H: found=0, std=0, add=435, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 434 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 THR OG1 : rot 92:sc= 0.0951 USER MOD Set 1.2: A 50 THR OG1 : rot -79:sc= 0.339 USER MOD Set 2.1: A 31 GLN : amide:sc= -0.309! C(o=-0.57!,f=-8.7!) USER MOD Set 2.2: A 33 TYR OH : rot -88:sc= -0.257! USER MOD Single : A 4 MET CE :methyl 122:sc= -0.102 (180deg=-0.81) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 TYR OH : rot -144:sc= 0.554 USER MOD Single : A 16 TYR OH : rot -103:sc= -0.593! USER MOD Single : A 20 LYS NZ :NH3+ 160:sc= -0.0552 (180deg=-0.419) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot -14:sc= 0.368 USER MOD Single : A 34 ASN : amide:sc= -0.432 X(o=-0.43,f=-0.44) USER MOD Single : A 35 ASN : amide:sc= -7.13! C(o=-7.1!,f=-20!) USER MOD Single : A 38 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS : no HE2:sc= -2.86! C(o=-2.9!,f=-7.9!) USER MOD Single : A 43 ASN : amide:sc= -4.31! C(o=-4.3!,f=-6.9!) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 49 ASN : amide:sc= -0.0147 K(o=-0.015,f=-1.4) USER MOD Single : A 51 HIS : no HD1:sc= -0.283 X(o=-0.28,f=-0.031) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 41 N MET A 4 4.881 -30.396 2.609 1.00 0.00 N ATOM 42 CA MET A 4 5.203 -31.215 1.406 1.00 0.00 C ATOM 43 C MET A 4 6.366 -30.563 0.655 1.00 0.00 C ATOM 44 O MET A 4 7.161 -31.230 0.023 1.00 0.00 O ATOM 45 CB MET A 4 3.980 -31.285 0.489 1.00 0.00 C ATOM 46 CG MET A 4 2.838 -32.004 1.210 1.00 0.00 C ATOM 47 SD MET A 4 1.559 -32.460 0.012 1.00 0.00 S ATOM 48 CE MET A 4 2.444 -33.837 -0.759 1.00 0.00 C ATOM 0 HA MET A 4 5.480 -32.224 1.713 1.00 0.00 H new ATOM 0 HB2 MET A 4 3.668 -30.280 0.205 1.00 0.00 H new ATOM 0 HB3 MET A 4 4.232 -31.813 -0.431 1.00 0.00 H new ATOM 0 HG2 MET A 4 3.215 -32.895 1.712 1.00 0.00 H new ATOM 0 HG3 MET A 4 2.416 -31.358 1.980 1.00 0.00 H new ATOM 0 HE1 MET A 4 1.852 -34.747 -0.667 1.00 0.00 H new ATOM 0 HE2 MET A 4 2.610 -33.618 -1.814 1.00 0.00 H new ATOM 0 HE3 MET A 4 3.404 -33.977 -0.262 1.00 0.00 H new ATOM 58 N CYS A 5 6.471 -29.265 0.725 1.00 0.00 N ATOM 59 CA CYS A 5 7.581 -28.566 0.020 1.00 0.00 C ATOM 60 C CYS A 5 8.842 -28.616 0.884 1.00 0.00 C ATOM 61 O CYS A 5 9.948 -28.574 0.383 1.00 0.00 O ATOM 62 CB CYS A 5 7.194 -27.108 -0.224 1.00 0.00 C ATOM 63 SG CYS A 5 5.450 -27.021 -0.696 1.00 0.00 S ATOM 0 H CYS A 5 5.835 -28.657 1.241 1.00 0.00 H new ATOM 0 HA CYS A 5 7.770 -29.057 -0.935 1.00 0.00 H new ATOM 0 HB2 CYS A 5 7.369 -26.518 0.676 1.00 0.00 H new ATOM 0 HB3 CYS A 5 7.817 -26.681 -1.010 1.00 0.00 H new ATOM 68 N LYS A 6 8.685 -28.712 2.177 1.00 0.00 N ATOM 69 CA LYS A 6 9.880 -28.772 3.065 1.00 0.00 C ATOM 70 C LYS A 6 10.893 -29.745 2.461 1.00 0.00 C ATOM 71 O LYS A 6 12.086 -29.624 2.657 1.00 0.00 O ATOM 72 CB LYS A 6 9.459 -29.256 4.455 1.00 0.00 C ATOM 73 CG LYS A 6 8.803 -28.101 5.216 1.00 0.00 C ATOM 74 CD LYS A 6 8.726 -28.443 6.705 1.00 0.00 C ATOM 75 CE LYS A 6 7.761 -27.481 7.400 1.00 0.00 C ATOM 76 NZ LYS A 6 7.415 -28.010 8.750 1.00 0.00 N ATOM 0 H LYS A 6 7.785 -28.751 2.655 1.00 0.00 H new ATOM 0 HA LYS A 6 10.329 -27.783 3.155 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.763 -30.090 4.367 1.00 0.00 H new ATOM 0 HB3 LYS A 6 10.327 -29.622 5.004 1.00 0.00 H new ATOM 0 HG2 LYS A 6 9.377 -27.186 5.072 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.803 -27.915 4.823 1.00 0.00 H new ATOM 0 HD2 LYS A 6 8.389 -29.471 6.836 1.00 0.00 H new ATOM 0 HD3 LYS A 6 9.715 -28.372 7.157 1.00 0.00 H new ATOM 0 HE2 LYS A 6 8.216 -26.495 7.490 1.00 0.00 H new ATOM 0 HE3 LYS A 6 6.857 -27.361 6.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 6.759 -27.355 9.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 6.964 -28.942 8.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 8.281 -28.102 9.319 1.00 0.00 H new ATOM 90 N ASP A 7 10.419 -30.702 1.709 1.00 0.00 N ATOM 91 CA ASP A 7 11.337 -31.681 1.065 1.00 0.00 C ATOM 92 C ASP A 7 11.232 -31.524 -0.451 1.00 0.00 C ATOM 93 O ASP A 7 11.312 -32.483 -1.195 1.00 0.00 O ATOM 94 CB ASP A 7 10.931 -33.102 1.459 1.00 0.00 C ATOM 95 CG ASP A 7 11.209 -33.319 2.947 1.00 0.00 C ATOM 96 OD1 ASP A 7 11.898 -32.497 3.527 1.00 0.00 O ATOM 97 OD2 ASP A 7 10.729 -34.306 3.480 1.00 0.00 O ATOM 0 H ASP A 7 9.429 -30.847 1.513 1.00 0.00 H new ATOM 0 HA ASP A 7 12.361 -31.499 1.390 1.00 0.00 H new ATOM 0 HB2 ASP A 7 9.873 -33.261 1.249 1.00 0.00 H new ATOM 0 HB3 ASP A 7 11.486 -33.828 0.865 1.00 0.00 H new ATOM 102 N TYR A 8 11.041 -30.319 -0.913 1.00 0.00 N ATOM 103 CA TYR A 8 10.918 -30.085 -2.378 1.00 0.00 C ATOM 104 C TYR A 8 12.306 -30.051 -3.016 1.00 0.00 C ATOM 105 O TYR A 8 13.307 -29.892 -2.346 1.00 0.00 O ATOM 106 CB TYR A 8 10.221 -28.743 -2.614 1.00 0.00 C ATOM 107 CG TYR A 8 9.398 -28.812 -3.878 1.00 0.00 C ATOM 108 CD1 TYR A 8 9.998 -28.559 -5.119 1.00 0.00 C ATOM 109 CD2 TYR A 8 8.037 -29.123 -3.809 1.00 0.00 C ATOM 110 CE1 TYR A 8 9.234 -28.619 -6.290 1.00 0.00 C ATOM 111 CE2 TYR A 8 7.272 -29.183 -4.980 1.00 0.00 C ATOM 112 CZ TYR A 8 7.870 -28.931 -6.221 1.00 0.00 C ATOM 113 OH TYR A 8 7.116 -28.989 -7.375 1.00 0.00 O ATOM 0 H TYR A 8 10.965 -29.482 -0.335 1.00 0.00 H new ATOM 0 HA TYR A 8 10.336 -30.891 -2.826 1.00 0.00 H new ATOM 0 HB2 TYR A 8 9.582 -28.500 -1.765 1.00 0.00 H new ATOM 0 HB3 TYR A 8 10.961 -27.947 -2.694 1.00 0.00 H new ATOM 0 HD1 TYR A 8 11.049 -28.318 -5.172 1.00 0.00 H new ATOM 0 HD2 TYR A 8 7.575 -29.317 -2.852 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.696 -28.425 -7.247 1.00 0.00 H new ATOM 0 HE2 TYR A 8 6.221 -29.424 -4.926 1.00 0.00 H new ATOM 0 HH TYR A 8 6.214 -28.650 -7.194 1.00 0.00 H new ATOM 123 N ARG A 9 12.371 -30.192 -4.311 1.00 0.00 N ATOM 124 CA ARG A 9 13.690 -30.159 -4.999 1.00 0.00 C ATOM 125 C ARG A 9 13.501 -29.620 -6.417 1.00 0.00 C ATOM 126 O ARG A 9 12.852 -30.228 -7.244 1.00 0.00 O ATOM 127 CB ARG A 9 14.280 -31.568 -5.059 1.00 0.00 C ATOM 128 CG ARG A 9 15.201 -31.777 -3.854 1.00 0.00 C ATOM 129 CD ARG A 9 16.131 -32.961 -4.117 1.00 0.00 C ATOM 130 NE ARG A 9 16.407 -33.665 -2.833 1.00 0.00 N ATOM 131 CZ ARG A 9 16.370 -34.969 -2.781 1.00 0.00 C ATOM 132 NH1 ARG A 9 15.482 -35.627 -3.476 1.00 0.00 N ATOM 133 NH2 ARG A 9 17.220 -35.615 -2.030 1.00 0.00 N ATOM 0 H ARG A 9 11.566 -30.329 -4.922 1.00 0.00 H new ATOM 0 HA ARG A 9 14.372 -29.512 -4.447 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.482 -32.310 -5.056 1.00 0.00 H new ATOM 0 HB3 ARG A 9 14.837 -31.703 -5.986 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.786 -30.876 -3.671 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.608 -31.960 -2.958 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.673 -33.647 -4.830 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.063 -32.614 -4.563 1.00 0.00 H new ATOM 0 HE ARG A 9 16.625 -33.128 -1.994 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.816 -35.122 -4.061 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.454 -36.646 -3.434 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.912 -35.101 -1.485 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.192 -36.634 -1.988 1.00 0.00 H new ATOM 147 N VAL A 10 14.060 -28.477 -6.698 1.00 0.00 N ATOM 148 CA VAL A 10 13.911 -27.888 -8.057 1.00 0.00 C ATOM 149 C VAL A 10 15.283 -27.785 -8.726 1.00 0.00 C ATOM 150 O VAL A 10 16.304 -27.743 -8.069 1.00 0.00 O ATOM 151 CB VAL A 10 13.297 -26.492 -7.936 1.00 0.00 C ATOM 152 CG1 VAL A 10 13.119 -25.893 -9.331 1.00 0.00 C ATOM 153 CG2 VAL A 10 11.936 -26.593 -7.244 1.00 0.00 C ATOM 0 H VAL A 10 14.615 -27.924 -6.044 1.00 0.00 H new ATOM 0 HA VAL A 10 13.263 -28.524 -8.661 1.00 0.00 H new ATOM 0 HB VAL A 10 13.956 -25.853 -7.348 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.682 -24.898 -9.247 1.00 0.00 H new ATOM 0 HG12 VAL A 10 14.089 -25.822 -9.823 1.00 0.00 H new ATOM 0 HG13 VAL A 10 12.459 -26.531 -9.919 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.497 -25.599 -7.157 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.276 -27.231 -7.831 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.064 -27.021 -6.250 1.00 0.00 H new ATOM 163 N LEU A 11 15.312 -27.742 -10.031 1.00 0.00 N ATOM 164 CA LEU A 11 16.614 -27.643 -10.747 1.00 0.00 C ATOM 165 C LEU A 11 16.497 -26.613 -11.875 1.00 0.00 C ATOM 166 O LEU A 11 15.434 -26.087 -12.138 1.00 0.00 O ATOM 167 CB LEU A 11 16.972 -29.009 -11.337 1.00 0.00 C ATOM 168 CG LEU A 11 18.120 -29.625 -10.534 1.00 0.00 C ATOM 169 CD1 LEU A 11 17.563 -30.272 -9.265 1.00 0.00 C ATOM 170 CD2 LEU A 11 18.823 -30.690 -11.378 1.00 0.00 C ATOM 0 H LEU A 11 14.488 -27.771 -10.632 1.00 0.00 H new ATOM 0 HA LEU A 11 17.393 -27.332 -10.051 1.00 0.00 H new ATOM 0 HB2 LEU A 11 16.103 -29.667 -11.313 1.00 0.00 H new ATOM 0 HB3 LEU A 11 17.262 -28.901 -12.382 1.00 0.00 H new ATOM 0 HG LEU A 11 18.833 -28.845 -10.266 1.00 0.00 H new ATOM 0 HD11 LEU A 11 18.380 -30.711 -8.692 1.00 0.00 H new ATOM 0 HD12 LEU A 11 17.062 -29.516 -8.661 1.00 0.00 H new ATOM 0 HD13 LEU A 11 16.850 -31.051 -9.536 1.00 0.00 H new ATOM 0 HD21 LEU A 11 19.640 -31.128 -10.805 1.00 0.00 H new ATOM 0 HD22 LEU A 11 18.110 -31.470 -11.647 1.00 0.00 H new ATOM 0 HD23 LEU A 11 19.220 -30.233 -12.284 1.00 0.00 H new ATOM 182 N PRO A 12 17.617 -26.325 -12.555 1.00 0.00 N ATOM 183 CA PRO A 12 17.647 -25.358 -13.661 1.00 0.00 C ATOM 184 C PRO A 12 16.858 -25.853 -14.875 1.00 0.00 C ATOM 185 O PRO A 12 16.436 -25.079 -15.712 1.00 0.00 O ATOM 186 CB PRO A 12 19.134 -25.260 -14.007 1.00 0.00 C ATOM 187 CG PRO A 12 19.710 -26.551 -13.540 1.00 0.00 C ATOM 188 CD PRO A 12 18.943 -26.917 -12.304 1.00 0.00 C ATOM 0 HA PRO A 12 17.195 -24.406 -13.384 1.00 0.00 H new ATOM 0 HB2 PRO A 12 19.284 -25.122 -15.078 1.00 0.00 H new ATOM 0 HB3 PRO A 12 19.603 -24.412 -13.508 1.00 0.00 H new ATOM 0 HG2 PRO A 12 19.612 -27.322 -14.304 1.00 0.00 H new ATOM 0 HG3 PRO A 12 20.774 -26.450 -13.325 1.00 0.00 H new ATOM 0 HD2 PRO A 12 18.885 -27.997 -12.169 1.00 0.00 H new ATOM 0 HD3 PRO A 12 19.405 -26.508 -11.405 1.00 0.00 H new ATOM 196 N ARG A 13 16.654 -27.137 -14.979 1.00 0.00 N ATOM 197 CA ARG A 13 15.893 -27.678 -16.140 1.00 0.00 C ATOM 198 C ARG A 13 14.553 -28.243 -15.660 1.00 0.00 C ATOM 199 O ARG A 13 13.619 -28.378 -16.425 1.00 0.00 O ATOM 200 CB ARG A 13 16.706 -28.790 -16.807 1.00 0.00 C ATOM 201 CG ARG A 13 18.019 -28.213 -17.336 1.00 0.00 C ATOM 202 CD ARG A 13 18.874 -29.340 -17.919 1.00 0.00 C ATOM 203 NE ARG A 13 20.177 -28.787 -18.382 1.00 0.00 N ATOM 204 CZ ARG A 13 20.639 -29.105 -19.559 1.00 0.00 C ATOM 205 NH1 ARG A 13 21.615 -29.965 -19.666 1.00 0.00 N ATOM 206 NH2 ARG A 13 20.125 -28.566 -20.631 1.00 0.00 N ATOM 0 H ARG A 13 16.981 -27.835 -14.311 1.00 0.00 H new ATOM 0 HA ARG A 13 15.711 -26.878 -16.858 1.00 0.00 H new ATOM 0 HB2 ARG A 13 16.909 -29.587 -16.091 1.00 0.00 H new ATOM 0 HB3 ARG A 13 16.136 -29.233 -17.624 1.00 0.00 H new ATOM 0 HG2 ARG A 13 17.817 -27.463 -18.101 1.00 0.00 H new ATOM 0 HG3 ARG A 13 18.558 -27.712 -16.532 1.00 0.00 H new ATOM 0 HD2 ARG A 13 19.041 -30.111 -17.166 1.00 0.00 H new ATOM 0 HD3 ARG A 13 18.352 -29.814 -18.750 1.00 0.00 H new ATOM 0 HE ARG A 13 20.708 -28.159 -17.778 1.00 0.00 H new ATOM 0 HH11 ARG A 13 22.016 -30.388 -18.829 1.00 0.00 H new ATOM 0 HH12 ARG A 13 21.977 -30.214 -20.587 1.00 0.00 H new ATOM 0 HH21 ARG A 13 19.361 -27.895 -20.548 1.00 0.00 H new ATOM 0 HH22 ARG A 13 20.487 -28.816 -21.551 1.00 0.00 H new ATOM 220 N ILE A 14 14.450 -28.574 -14.401 1.00 0.00 N ATOM 221 CA ILE A 14 13.168 -29.131 -13.883 1.00 0.00 C ATOM 222 C ILE A 14 12.255 -27.987 -13.432 1.00 0.00 C ATOM 223 O ILE A 14 11.096 -27.929 -13.790 1.00 0.00 O ATOM 224 CB ILE A 14 13.454 -30.053 -12.695 1.00 0.00 C ATOM 225 CG1 ILE A 14 14.235 -31.278 -13.178 1.00 0.00 C ATOM 226 CG2 ILE A 14 12.131 -30.506 -12.073 1.00 0.00 C ATOM 227 CD1 ILE A 14 14.784 -32.044 -11.973 1.00 0.00 C ATOM 0 H ILE A 14 15.196 -28.483 -13.711 1.00 0.00 H new ATOM 0 HA ILE A 14 12.675 -29.697 -14.673 1.00 0.00 H new ATOM 0 HB ILE A 14 14.042 -29.516 -11.950 1.00 0.00 H new ATOM 0 HG12 ILE A 14 13.587 -31.925 -13.769 1.00 0.00 H new ATOM 0 HG13 ILE A 14 15.053 -30.967 -13.828 1.00 0.00 H new ATOM 0 HG21 ILE A 14 12.333 -31.163 -11.227 1.00 0.00 H new ATOM 0 HG22 ILE A 14 11.573 -29.635 -11.731 1.00 0.00 H new ATOM 0 HG23 ILE A 14 11.544 -31.044 -12.818 1.00 0.00 H new ATOM 0 HD11 ILE A 14 15.340 -32.916 -12.318 1.00 0.00 H new ATOM 0 HD12 ILE A 14 15.446 -31.395 -11.400 1.00 0.00 H new ATOM 0 HD13 ILE A 14 13.958 -32.368 -11.340 1.00 0.00 H new ATOM 239 N GLY A 15 12.767 -27.078 -12.647 1.00 0.00 N ATOM 240 CA GLY A 15 11.925 -25.942 -12.176 1.00 0.00 C ATOM 241 C GLY A 15 10.967 -26.435 -11.089 1.00 0.00 C ATOM 242 O GLY A 15 11.133 -27.509 -10.544 1.00 0.00 O ATOM 0 H GLY A 15 13.730 -27.073 -12.312 1.00 0.00 H new ATOM 0 HA2 GLY A 15 12.557 -25.145 -11.785 1.00 0.00 H new ATOM 0 HA3 GLY A 15 11.362 -25.523 -13.010 1.00 0.00 H new ATOM 246 N TYR A 16 9.967 -25.663 -10.767 1.00 0.00 N ATOM 247 CA TYR A 16 9.004 -26.096 -9.716 1.00 0.00 C ATOM 248 C TYR A 16 7.810 -26.790 -10.372 1.00 0.00 C ATOM 249 O TYR A 16 7.487 -26.541 -11.517 1.00 0.00 O ATOM 250 CB TYR A 16 8.519 -24.876 -8.931 1.00 0.00 C ATOM 251 CG TYR A 16 8.422 -25.231 -7.466 1.00 0.00 C ATOM 252 CD1 TYR A 16 9.541 -25.092 -6.637 1.00 0.00 C ATOM 253 CD2 TYR A 16 7.214 -25.702 -6.940 1.00 0.00 C ATOM 254 CE1 TYR A 16 9.450 -25.423 -5.279 1.00 0.00 C ATOM 255 CE2 TYR A 16 7.123 -26.034 -5.584 1.00 0.00 C ATOM 256 CZ TYR A 16 8.241 -25.894 -4.753 1.00 0.00 C ATOM 257 OH TYR A 16 8.152 -26.221 -3.415 1.00 0.00 O ATOM 0 H TYR A 16 9.775 -24.753 -11.185 1.00 0.00 H new ATOM 0 HA TYR A 16 9.498 -26.790 -9.036 1.00 0.00 H new ATOM 0 HB2 TYR A 16 9.208 -24.043 -9.070 1.00 0.00 H new ATOM 0 HB3 TYR A 16 7.547 -24.552 -9.304 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.474 -24.730 -7.044 1.00 0.00 H new ATOM 0 HD2 TYR A 16 6.351 -25.809 -7.581 1.00 0.00 H new ATOM 0 HE1 TYR A 16 10.312 -25.315 -4.638 1.00 0.00 H new ATOM 0 HE2 TYR A 16 6.191 -26.398 -5.178 1.00 0.00 H new ATOM 0 HH TYR A 16 8.181 -27.195 -3.314 1.00 0.00 H new ATOM 267 N LEU A 17 7.155 -27.665 -9.660 1.00 0.00 N ATOM 268 CA LEU A 17 5.988 -28.380 -10.249 1.00 0.00 C ATOM 269 C LEU A 17 4.715 -28.031 -9.473 1.00 0.00 C ATOM 270 O LEU A 17 4.532 -28.438 -8.342 1.00 0.00 O ATOM 271 CB LEU A 17 6.233 -29.888 -10.175 1.00 0.00 C ATOM 272 CG LEU A 17 5.062 -30.630 -10.821 1.00 0.00 C ATOM 273 CD1 LEU A 17 5.120 -30.456 -12.341 1.00 0.00 C ATOM 274 CD2 LEU A 17 5.152 -32.118 -10.475 1.00 0.00 C ATOM 0 H LEU A 17 7.377 -27.916 -8.697 1.00 0.00 H new ATOM 0 HA LEU A 17 5.865 -28.076 -11.289 1.00 0.00 H new ATOM 0 HB2 LEU A 17 7.163 -30.141 -10.685 1.00 0.00 H new ATOM 0 HB3 LEU A 17 6.344 -30.198 -9.136 1.00 0.00 H new ATOM 0 HG LEU A 17 4.123 -30.223 -10.446 1.00 0.00 H new ATOM 0 HD11 LEU A 17 4.285 -30.985 -12.800 1.00 0.00 H new ATOM 0 HD12 LEU A 17 5.058 -29.396 -12.589 1.00 0.00 H new ATOM 0 HD13 LEU A 17 6.058 -30.862 -12.718 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.318 -32.649 -10.934 1.00 0.00 H new ATOM 0 HD22 LEU A 17 6.092 -32.523 -10.851 1.00 0.00 H new ATOM 0 HD23 LEU A 17 5.110 -32.243 -9.393 1.00 0.00 H new ATOM 286 N CYS A 18 3.828 -27.287 -10.077 1.00 0.00 N ATOM 287 CA CYS A 18 2.559 -26.919 -9.384 1.00 0.00 C ATOM 288 C CYS A 18 1.373 -27.314 -10.267 1.00 0.00 C ATOM 289 O CYS A 18 1.494 -27.417 -11.472 1.00 0.00 O ATOM 290 CB CYS A 18 2.526 -25.408 -9.136 1.00 0.00 C ATOM 291 SG CYS A 18 4.009 -24.910 -8.226 1.00 0.00 S ATOM 0 H CYS A 18 3.927 -26.917 -11.022 1.00 0.00 H new ATOM 0 HA CYS A 18 2.500 -27.442 -8.429 1.00 0.00 H new ATOM 0 HB2 CYS A 18 2.473 -24.875 -10.085 1.00 0.00 H new ATOM 0 HB3 CYS A 18 1.633 -25.141 -8.570 1.00 0.00 H new ATOM 296 N PRO A 19 0.204 -27.539 -9.651 1.00 0.00 N ATOM 297 CA PRO A 19 -1.010 -27.922 -10.379 1.00 0.00 C ATOM 298 C PRO A 19 -1.582 -26.748 -11.179 1.00 0.00 C ATOM 299 O PRO A 19 -1.171 -25.616 -11.015 1.00 0.00 O ATOM 300 CB PRO A 19 -1.982 -28.329 -9.272 1.00 0.00 C ATOM 301 CG PRO A 19 -1.514 -27.587 -8.064 1.00 0.00 C ATOM 302 CD PRO A 19 -0.023 -27.434 -8.200 1.00 0.00 C ATOM 0 HA PRO A 19 -0.821 -28.713 -11.105 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -3.007 -28.062 -9.528 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -1.965 -29.406 -9.106 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -1.998 -26.613 -7.997 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -1.766 -28.132 -7.154 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.319 -26.476 -7.809 1.00 0.00 H new ATOM 0 HD3 PRO A 19 0.511 -28.211 -7.653 1.00 0.00 H new ATOM 310 N LYS A 20 -2.521 -27.006 -12.047 1.00 0.00 N ATOM 311 CA LYS A 20 -3.110 -25.901 -12.857 1.00 0.00 C ATOM 312 C LYS A 20 -4.283 -25.276 -12.102 1.00 0.00 C ATOM 313 O LYS A 20 -4.647 -24.140 -12.332 1.00 0.00 O ATOM 314 CB LYS A 20 -3.599 -26.457 -14.196 1.00 0.00 C ATOM 315 CG LYS A 20 -2.411 -27.031 -14.971 1.00 0.00 C ATOM 316 CD LYS A 20 -2.876 -27.485 -16.356 1.00 0.00 C ATOM 317 CE LYS A 20 -1.689 -28.068 -17.126 1.00 0.00 C ATOM 318 NZ LYS A 20 -1.247 -29.332 -16.472 1.00 0.00 N ATOM 0 H LYS A 20 -2.906 -27.933 -12.231 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.351 -25.139 -13.035 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.347 -27.232 -14.029 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -4.080 -25.669 -14.776 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.628 -26.279 -15.067 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.980 -27.871 -14.427 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -3.664 -28.232 -16.260 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -3.300 -26.643 -16.903 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.972 -28.261 -18.161 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.868 -27.351 -17.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.694 -29.897 -17.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.658 -29.107 -15.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.080 -29.875 -16.167 1.00 0.00 H new ATOM 332 N ASP A 21 -4.880 -26.006 -11.201 1.00 0.00 N ATOM 333 CA ASP A 21 -6.030 -25.450 -10.433 1.00 0.00 C ATOM 334 C ASP A 21 -5.547 -24.278 -9.575 1.00 0.00 C ATOM 335 O ASP A 21 -4.612 -24.399 -8.811 1.00 0.00 O ATOM 336 CB ASP A 21 -6.615 -26.538 -9.530 1.00 0.00 C ATOM 337 CG ASP A 21 -6.853 -27.808 -10.349 1.00 0.00 C ATOM 338 OD1 ASP A 21 -6.890 -27.707 -11.565 1.00 0.00 O ATOM 339 OD2 ASP A 21 -6.994 -28.859 -9.747 1.00 0.00 O ATOM 0 H ASP A 21 -4.621 -26.964 -10.963 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.798 -25.103 -11.125 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -5.933 -26.747 -8.706 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.552 -26.195 -9.090 1.00 0.00 H new ATOM 344 N LEU A 22 -6.181 -23.142 -9.696 1.00 0.00 N ATOM 345 CA LEU A 22 -5.757 -21.963 -8.888 1.00 0.00 C ATOM 346 C LEU A 22 -6.424 -22.021 -7.512 1.00 0.00 C ATOM 347 O LEU A 22 -7.625 -21.892 -7.387 1.00 0.00 O ATOM 348 CB LEU A 22 -6.173 -20.677 -9.606 1.00 0.00 C ATOM 349 CG LEU A 22 -5.787 -19.466 -8.752 1.00 0.00 C ATOM 350 CD1 LEU A 22 -4.304 -19.554 -8.382 1.00 0.00 C ATOM 351 CD2 LEU A 22 -6.037 -18.182 -9.547 1.00 0.00 C ATOM 0 H LEU A 22 -6.973 -22.980 -10.318 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.674 -21.976 -8.766 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -5.687 -20.618 -10.580 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -7.248 -20.680 -9.786 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.389 -19.456 -7.843 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -4.029 -18.692 -7.774 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.124 -20.469 -7.817 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.702 -19.564 -9.291 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -5.763 -17.319 -8.940 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.434 -18.193 -10.455 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.092 -18.118 -9.812 1.00 0.00 H new ATOM 363 N LYS A 23 -5.650 -22.212 -6.478 1.00 0.00 N ATOM 364 CA LYS A 23 -6.236 -22.278 -5.109 1.00 0.00 C ATOM 365 C LYS A 23 -5.607 -21.191 -4.235 1.00 0.00 C ATOM 366 O LYS A 23 -4.480 -21.310 -3.800 1.00 0.00 O ATOM 367 CB LYS A 23 -5.951 -23.652 -4.501 1.00 0.00 C ATOM 368 CG LYS A 23 -7.156 -24.562 -4.726 1.00 0.00 C ATOM 369 CD LYS A 23 -7.926 -24.723 -3.413 1.00 0.00 C ATOM 370 CE LYS A 23 -8.387 -26.175 -3.266 1.00 0.00 C ATOM 371 NZ LYS A 23 -9.822 -26.281 -3.657 1.00 0.00 N ATOM 0 H LYS A 23 -4.637 -22.325 -6.522 1.00 0.00 H new ATOM 0 HA LYS A 23 -7.313 -22.122 -5.164 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -5.062 -24.087 -4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -5.747 -23.556 -3.435 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -7.806 -24.139 -5.492 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -6.827 -25.536 -5.089 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -7.292 -24.445 -2.571 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.786 -24.054 -3.399 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -7.779 -26.827 -3.893 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -8.254 -26.508 -2.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.137 -27.267 -3.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -10.396 -25.671 -3.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -9.936 -25.979 -4.646 1.00 0.00 H new ATOM 385 N PRO A 24 -6.358 -20.109 -3.981 1.00 0.00 N ATOM 386 CA PRO A 24 -5.883 -18.981 -3.165 1.00 0.00 C ATOM 387 C PRO A 24 -5.650 -19.384 -1.708 1.00 0.00 C ATOM 388 O PRO A 24 -6.562 -19.774 -1.005 1.00 0.00 O ATOM 389 CB PRO A 24 -7.027 -17.968 -3.259 1.00 0.00 C ATOM 390 CG PRO A 24 -8.227 -18.795 -3.571 1.00 0.00 C ATOM 391 CD PRO A 24 -7.735 -19.899 -4.460 1.00 0.00 C ATOM 0 HA PRO A 24 -4.925 -18.596 -3.516 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -7.152 -17.422 -2.324 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -6.840 -17.228 -4.038 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.675 -19.194 -2.661 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.993 -18.202 -4.070 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.341 -20.800 -4.360 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.759 -19.614 -5.512 1.00 0.00 H new ATOM 399 N VAL A 25 -4.430 -19.293 -1.249 1.00 0.00 N ATOM 400 CA VAL A 25 -4.135 -19.672 0.160 1.00 0.00 C ATOM 401 C VAL A 25 -3.553 -18.474 0.908 1.00 0.00 C ATOM 402 O VAL A 25 -2.953 -17.594 0.323 1.00 0.00 O ATOM 403 CB VAL A 25 -3.103 -20.801 0.186 1.00 0.00 C ATOM 404 CG1 VAL A 25 -3.652 -22.026 -0.539 1.00 0.00 C ATOM 405 CG2 VAL A 25 -1.824 -20.328 -0.508 1.00 0.00 C ATOM 0 H VAL A 25 -3.627 -18.973 -1.790 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.061 -19.997 0.635 1.00 0.00 H new ATOM 0 HB VAL A 25 -2.886 -21.068 1.220 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.911 -22.825 -0.516 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -4.564 -22.362 -0.046 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.874 -21.767 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -1.084 -21.129 -0.493 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -2.048 -20.061 -1.541 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -1.427 -19.457 0.014 1.00 0.00 H new ATOM 415 N CYS A 26 -3.704 -18.449 2.202 1.00 0.00 N ATOM 416 CA CYS A 26 -3.134 -17.324 2.992 1.00 0.00 C ATOM 417 C CYS A 26 -1.786 -17.772 3.559 1.00 0.00 C ATOM 418 O CYS A 26 -1.625 -18.903 3.967 1.00 0.00 O ATOM 419 CB CYS A 26 -4.082 -16.962 4.141 1.00 0.00 C ATOM 420 SG CYS A 26 -3.470 -15.486 4.990 1.00 0.00 S ATOM 0 H CYS A 26 -4.197 -19.158 2.746 1.00 0.00 H new ATOM 0 HA CYS A 26 -3.005 -16.448 2.357 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -5.085 -16.782 3.755 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -4.154 -17.794 4.842 1.00 0.00 H new ATOM 425 N GLY A 27 -0.814 -16.904 3.578 1.00 0.00 N ATOM 426 CA GLY A 27 0.522 -17.296 4.112 1.00 0.00 C ATOM 427 C GLY A 27 0.585 -16.985 5.608 1.00 0.00 C ATOM 428 O GLY A 27 0.063 -15.987 6.066 1.00 0.00 O ATOM 0 H GLY A 27 -0.885 -15.942 3.248 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.695 -18.359 3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.309 -16.757 3.584 1.00 0.00 H new ATOM 432 N ASP A 28 1.220 -17.828 6.376 1.00 0.00 N ATOM 433 CA ASP A 28 1.312 -17.570 7.842 1.00 0.00 C ATOM 434 C ASP A 28 2.206 -16.355 8.086 1.00 0.00 C ATOM 435 O ASP A 28 2.263 -15.823 9.178 1.00 0.00 O ATOM 436 CB ASP A 28 1.903 -18.794 8.545 1.00 0.00 C ATOM 437 CG ASP A 28 1.681 -18.670 10.054 1.00 0.00 C ATOM 438 OD1 ASP A 28 0.927 -17.798 10.452 1.00 0.00 O ATOM 439 OD2 ASP A 28 2.269 -19.450 10.785 1.00 0.00 O ATOM 0 H ASP A 28 1.677 -18.681 6.054 1.00 0.00 H new ATOM 0 HA ASP A 28 0.316 -17.375 8.240 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.434 -19.704 8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.968 -18.872 8.328 1.00 0.00 H new ATOM 444 N ASP A 29 2.901 -15.906 7.078 1.00 0.00 N ATOM 445 CA ASP A 29 3.784 -14.719 7.252 1.00 0.00 C ATOM 446 C ASP A 29 2.967 -13.444 7.031 1.00 0.00 C ATOM 447 O ASP A 29 3.454 -12.346 7.211 1.00 0.00 O ATOM 448 CB ASP A 29 4.925 -14.779 6.235 1.00 0.00 C ATOM 449 CG ASP A 29 5.914 -15.872 6.646 1.00 0.00 C ATOM 450 OD1 ASP A 29 5.763 -16.401 7.734 1.00 0.00 O ATOM 451 OD2 ASP A 29 6.806 -16.159 5.865 1.00 0.00 O ATOM 0 H ASP A 29 2.896 -16.310 6.141 1.00 0.00 H new ATOM 0 HA ASP A 29 4.198 -14.716 8.260 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.530 -14.986 5.240 1.00 0.00 H new ATOM 0 HB3 ASP A 29 5.432 -13.815 6.183 1.00 0.00 H new ATOM 456 N GLY A 30 1.726 -13.581 6.644 1.00 0.00 N ATOM 457 CA GLY A 30 0.880 -12.377 6.413 1.00 0.00 C ATOM 458 C GLY A 30 0.821 -12.073 4.914 1.00 0.00 C ATOM 459 O GLY A 30 0.533 -10.964 4.506 1.00 0.00 O ATOM 0 H GLY A 30 1.263 -14.475 6.478 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -0.125 -12.546 6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 30 1.290 -11.523 6.952 1.00 0.00 H new ATOM 463 N GLN A 31 1.092 -13.048 4.088 1.00 0.00 N ATOM 464 CA GLN A 31 1.051 -12.811 2.616 1.00 0.00 C ATOM 465 C GLN A 31 0.157 -13.861 1.952 1.00 0.00 C ATOM 466 O GLN A 31 0.097 -14.998 2.377 1.00 0.00 O ATOM 467 CB GLN A 31 2.467 -12.914 2.045 1.00 0.00 C ATOM 468 CG GLN A 31 3.223 -11.612 2.315 1.00 0.00 C ATOM 469 CD GLN A 31 4.712 -11.819 2.027 1.00 0.00 C ATOM 470 OE1 GLN A 31 5.100 -12.828 1.474 1.00 0.00 O ATOM 471 NE2 GLN A 31 5.566 -10.899 2.380 1.00 0.00 N ATOM 0 H GLN A 31 1.340 -13.997 4.368 1.00 0.00 H new ATOM 0 HA GLN A 31 0.649 -11.817 2.420 1.00 0.00 H new ATOM 0 HB2 GLN A 31 2.993 -13.753 2.499 1.00 0.00 H new ATOM 0 HB3 GLN A 31 2.425 -13.107 0.973 1.00 0.00 H new ATOM 0 HG2 GLN A 31 2.828 -10.813 1.688 1.00 0.00 H new ATOM 0 HG3 GLN A 31 3.081 -11.304 3.351 1.00 0.00 H new ATOM 0 HE21 GLN A 31 5.240 -10.052 2.844 1.00 0.00 H new ATOM 0 HE22 GLN A 31 6.560 -11.027 2.192 1.00 0.00 H new ATOM 480 N THR A 32 -0.538 -13.488 0.912 1.00 0.00 N ATOM 481 CA THR A 32 -1.426 -14.465 0.221 1.00 0.00 C ATOM 482 C THR A 32 -0.722 -15.008 -1.021 1.00 0.00 C ATOM 483 O THR A 32 0.139 -14.366 -1.591 1.00 0.00 O ATOM 484 CB THR A 32 -2.722 -13.771 -0.205 1.00 0.00 C ATOM 485 OG1 THR A 32 -3.409 -13.301 0.945 1.00 0.00 O ATOM 486 CG2 THR A 32 -3.605 -14.765 -0.962 1.00 0.00 C ATOM 0 H THR A 32 -0.529 -12.550 0.512 1.00 0.00 H new ATOM 0 HA THR A 32 -1.654 -15.284 0.903 1.00 0.00 H new ATOM 0 HB THR A 32 -2.488 -12.927 -0.854 1.00 0.00 H new ATOM 0 HG1 THR A 32 -3.024 -13.712 1.747 1.00 0.00 H new ATOM 0 HG21 THR A 32 -4.529 -14.273 -1.266 1.00 0.00 H new ATOM 0 HG22 THR A 32 -3.076 -15.122 -1.846 1.00 0.00 H new ATOM 0 HG23 THR A 32 -3.840 -15.609 -0.314 1.00 0.00 H new ATOM 494 N TYR A 33 -1.087 -16.182 -1.449 1.00 0.00 N ATOM 495 CA TYR A 33 -0.448 -16.766 -2.659 1.00 0.00 C ATOM 496 C TYR A 33 -1.533 -17.370 -3.549 1.00 0.00 C ATOM 497 O TYR A 33 -2.236 -18.280 -3.155 1.00 0.00 O ATOM 498 CB TYR A 33 0.549 -17.846 -2.235 1.00 0.00 C ATOM 499 CG TYR A 33 1.591 -17.224 -1.334 1.00 0.00 C ATOM 500 CD1 TYR A 33 1.282 -16.946 0.003 1.00 0.00 C ATOM 501 CD2 TYR A 33 2.862 -16.921 -1.837 1.00 0.00 C ATOM 502 CE1 TYR A 33 2.245 -16.364 0.837 1.00 0.00 C ATOM 503 CE2 TYR A 33 3.825 -16.339 -1.002 1.00 0.00 C ATOM 504 CZ TYR A 33 3.516 -16.061 0.335 1.00 0.00 C ATOM 505 OH TYR A 33 4.465 -15.488 1.157 1.00 0.00 O ATOM 0 H TYR A 33 -1.802 -16.764 -1.012 1.00 0.00 H new ATOM 0 HA TYR A 33 0.084 -15.993 -3.213 1.00 0.00 H new ATOM 0 HB2 TYR A 33 0.033 -18.652 -1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 33 1.023 -18.286 -3.112 1.00 0.00 H new ATOM 0 HD1 TYR A 33 0.302 -17.180 0.391 1.00 0.00 H new ATOM 0 HD2 TYR A 33 3.100 -17.136 -2.868 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.007 -16.149 1.868 1.00 0.00 H new ATOM 0 HE2 TYR A 33 4.805 -16.105 -1.390 1.00 0.00 H new ATOM 0 HH TYR A 33 4.377 -14.512 1.128 1.00 0.00 H new ATOM 515 N ASN A 34 -1.684 -16.858 -4.740 1.00 0.00 N ATOM 516 CA ASN A 34 -2.737 -17.387 -5.653 1.00 0.00 C ATOM 517 C ASN A 34 -2.771 -18.914 -5.576 1.00 0.00 C ATOM 518 O ASN A 34 -3.592 -19.486 -4.892 1.00 0.00 O ATOM 519 CB ASN A 34 -2.452 -16.936 -7.092 1.00 0.00 C ATOM 520 CG ASN A 34 -1.985 -15.479 -7.089 1.00 0.00 C ATOM 521 OD1 ASN A 34 -2.610 -14.629 -6.486 1.00 0.00 O ATOM 522 ND2 ASN A 34 -0.904 -15.154 -7.743 1.00 0.00 N ATOM 0 H ASN A 34 -1.123 -16.096 -5.121 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.707 -16.997 -5.346 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -1.688 -17.572 -7.539 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.350 -17.040 -7.701 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.583 -14.186 -7.748 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.380 -15.868 -8.249 1.00 0.00 H new ATOM 529 N ASN A 35 -1.886 -19.580 -6.261 1.00 0.00 N ATOM 530 CA ASN A 35 -1.873 -21.069 -6.212 1.00 0.00 C ATOM 531 C ASN A 35 -1.123 -21.525 -4.958 1.00 0.00 C ATOM 532 O ASN A 35 -0.184 -20.888 -4.524 1.00 0.00 O ATOM 533 CB ASN A 35 -1.172 -21.600 -7.468 1.00 0.00 C ATOM 534 CG ASN A 35 -0.958 -23.109 -7.349 1.00 0.00 C ATOM 535 OD1 ASN A 35 -0.261 -23.567 -6.466 1.00 0.00 O ATOM 536 ND2 ASN A 35 -1.532 -23.905 -8.208 1.00 0.00 N ATOM 0 H ASN A 35 -1.170 -19.159 -6.853 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.892 -21.455 -6.176 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.772 -21.378 -8.351 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -0.214 -21.098 -7.599 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -1.396 -24.913 -8.139 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -2.117 -23.519 -8.949 1.00 0.00 H new ATOM 543 N PRO A 36 -1.545 -22.653 -4.365 1.00 0.00 N ATOM 544 CA PRO A 36 -0.908 -23.200 -3.157 1.00 0.00 C ATOM 545 C PRO A 36 0.546 -23.600 -3.416 1.00 0.00 C ATOM 546 O PRO A 36 1.443 -23.200 -2.701 1.00 0.00 O ATOM 547 CB PRO A 36 -1.758 -24.431 -2.834 1.00 0.00 C ATOM 548 CG PRO A 36 -2.374 -24.800 -4.139 1.00 0.00 C ATOM 549 CD PRO A 36 -2.666 -23.492 -4.816 1.00 0.00 C ATOM 0 HA PRO A 36 -0.868 -22.476 -2.343 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -1.149 -25.243 -2.437 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -2.517 -24.206 -2.085 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -1.697 -25.411 -4.736 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -3.285 -25.382 -3.995 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -2.690 -23.591 -5.901 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -3.629 -23.082 -4.512 1.00 0.00 H new ATOM 557 N CYS A 37 0.793 -24.371 -4.440 1.00 0.00 N ATOM 558 CA CYS A 37 2.195 -24.767 -4.739 1.00 0.00 C ATOM 559 C CYS A 37 2.991 -23.507 -5.078 1.00 0.00 C ATOM 560 O CYS A 37 4.185 -23.433 -4.861 1.00 0.00 O ATOM 561 CB CYS A 37 2.212 -25.729 -5.930 1.00 0.00 C ATOM 562 SG CYS A 37 3.915 -25.958 -6.502 1.00 0.00 S ATOM 0 H CYS A 37 0.088 -24.741 -5.078 1.00 0.00 H new ATOM 0 HA CYS A 37 2.638 -25.266 -3.877 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.782 -26.688 -5.642 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.596 -25.334 -6.738 1.00 0.00 H new ATOM 567 N MET A 38 2.329 -22.510 -5.600 1.00 0.00 N ATOM 568 CA MET A 38 3.028 -21.240 -5.946 1.00 0.00 C ATOM 569 C MET A 38 3.630 -20.639 -4.673 1.00 0.00 C ATOM 570 O MET A 38 4.465 -19.758 -4.724 1.00 0.00 O ATOM 571 CB MET A 38 2.020 -20.258 -6.550 1.00 0.00 C ATOM 572 CG MET A 38 2.060 -20.358 -8.076 1.00 0.00 C ATOM 573 SD MET A 38 1.016 -19.066 -8.793 1.00 0.00 S ATOM 574 CE MET A 38 2.331 -17.862 -9.099 1.00 0.00 C ATOM 0 H MET A 38 1.329 -22.521 -5.802 1.00 0.00 H new ATOM 0 HA MET A 38 3.820 -21.436 -6.668 1.00 0.00 H new ATOM 0 HB2 MET A 38 1.017 -20.481 -6.187 1.00 0.00 H new ATOM 0 HB3 MET A 38 2.254 -19.241 -6.236 1.00 0.00 H new ATOM 0 HG2 MET A 38 3.085 -20.251 -8.431 1.00 0.00 H new ATOM 0 HG3 MET A 38 1.713 -21.340 -8.396 1.00 0.00 H new ATOM 0 HE1 MET A 38 1.906 -16.965 -9.549 1.00 0.00 H new ATOM 0 HE2 MET A 38 2.812 -17.601 -8.156 1.00 0.00 H new ATOM 0 HE3 MET A 38 3.069 -18.293 -9.776 1.00 0.00 H new ATOM 584 N LEU A 39 3.207 -21.112 -3.533 1.00 0.00 N ATOM 585 CA LEU A 39 3.745 -20.576 -2.250 1.00 0.00 C ATOM 586 C LEU A 39 5.157 -21.104 -2.023 1.00 0.00 C ATOM 587 O LEU A 39 6.088 -20.348 -1.827 1.00 0.00 O ATOM 588 CB LEU A 39 2.846 -21.026 -1.098 1.00 0.00 C ATOM 589 CG LEU A 39 3.449 -20.565 0.228 1.00 0.00 C ATOM 590 CD1 LEU A 39 2.926 -19.169 0.560 1.00 0.00 C ATOM 591 CD2 LEU A 39 3.050 -21.538 1.339 1.00 0.00 C ATOM 0 H LEU A 39 2.509 -21.849 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 39 3.770 -19.487 -2.295 1.00 0.00 H new ATOM 0 HB2 LEU A 39 1.846 -20.610 -1.219 1.00 0.00 H new ATOM 0 HB3 LEU A 39 2.743 -22.111 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 39 4.536 -20.539 0.146 1.00 0.00 H new ATOM 0 HD11 LEU A 39 3.354 -18.836 1.506 1.00 0.00 H new ATOM 0 HD12 LEU A 39 3.211 -18.476 -0.232 1.00 0.00 H new ATOM 0 HD13 LEU A 39 1.840 -19.198 0.643 1.00 0.00 H new ATOM 0 HD21 LEU A 39 3.481 -21.208 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 39 1.964 -21.566 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.421 -22.535 1.100 1.00 0.00 H new ATOM 603 N CYS A 40 5.329 -22.393 -2.045 1.00 0.00 N ATOM 604 CA CYS A 40 6.689 -22.952 -1.825 1.00 0.00 C ATOM 605 C CYS A 40 7.609 -22.450 -2.935 1.00 0.00 C ATOM 606 O CYS A 40 8.817 -22.433 -2.799 1.00 0.00 O ATOM 607 CB CYS A 40 6.643 -24.482 -1.826 1.00 0.00 C ATOM 608 SG CYS A 40 5.130 -25.055 -1.011 1.00 0.00 S ATOM 0 H CYS A 40 4.593 -23.080 -2.205 1.00 0.00 H new ATOM 0 HA CYS A 40 7.067 -22.626 -0.856 1.00 0.00 H new ATOM 0 HB2 CYS A 40 6.678 -24.855 -2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 40 7.517 -24.881 -1.311 1.00 0.00 H new ATOM 613 N HIS A 41 7.042 -22.015 -4.026 1.00 0.00 N ATOM 614 CA HIS A 41 7.877 -21.484 -5.135 1.00 0.00 C ATOM 615 C HIS A 41 8.519 -20.182 -4.666 1.00 0.00 C ATOM 616 O HIS A 41 9.723 -20.024 -4.697 1.00 0.00 O ATOM 617 CB HIS A 41 6.992 -21.207 -6.348 1.00 0.00 C ATOM 618 CG HIS A 41 7.846 -21.103 -7.582 1.00 0.00 C ATOM 619 ND1 HIS A 41 8.738 -22.098 -7.953 1.00 0.00 N ATOM 620 CD2 HIS A 41 7.959 -20.124 -8.539 1.00 0.00 C ATOM 621 CE1 HIS A 41 9.342 -21.699 -9.088 1.00 0.00 C ATOM 622 NE2 HIS A 41 8.903 -20.502 -9.488 1.00 0.00 N ATOM 0 H HIS A 41 6.036 -22.005 -4.196 1.00 0.00 H new ATOM 0 HA HIS A 41 8.645 -22.206 -5.411 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.260 -22.006 -6.467 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.434 -20.282 -6.200 1.00 0.00 H new ATOM 0 HD1 HIS A 41 8.906 -22.973 -7.456 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.399 -19.200 -8.552 1.00 0.00 H new ATOM 0 HE1 HIS A 41 10.090 -22.276 -9.611 1.00 0.00 H new ATOM 630 N GLU A 42 7.720 -19.256 -4.211 1.00 0.00 N ATOM 631 CA GLU A 42 8.281 -17.972 -3.717 1.00 0.00 C ATOM 632 C GLU A 42 9.102 -18.259 -2.462 1.00 0.00 C ATOM 633 O GLU A 42 9.934 -17.473 -2.053 1.00 0.00 O ATOM 634 CB GLU A 42 7.140 -17.014 -3.375 1.00 0.00 C ATOM 635 CG GLU A 42 6.639 -16.340 -4.653 1.00 0.00 C ATOM 636 CD GLU A 42 5.549 -15.325 -4.301 1.00 0.00 C ATOM 637 OE1 GLU A 42 5.482 -14.933 -3.148 1.00 0.00 O ATOM 638 OE2 GLU A 42 4.801 -14.956 -5.192 1.00 0.00 O ATOM 0 H GLU A 42 6.704 -19.335 -4.161 1.00 0.00 H new ATOM 0 HA GLU A 42 8.910 -17.516 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 42 6.326 -17.558 -2.895 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.483 -16.262 -2.665 1.00 0.00 H new ATOM 0 HG2 GLU A 42 7.464 -15.842 -5.162 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.246 -17.088 -5.341 1.00 0.00 H new ATOM 645 N ASN A 43 8.874 -19.390 -1.850 1.00 0.00 N ATOM 646 CA ASN A 43 9.638 -19.744 -0.620 1.00 0.00 C ATOM 647 C ASN A 43 11.053 -20.181 -1.007 1.00 0.00 C ATOM 648 O ASN A 43 11.984 -20.041 -0.243 1.00 0.00 O ATOM 649 CB ASN A 43 8.928 -20.885 0.111 1.00 0.00 C ATOM 650 CG ASN A 43 7.634 -20.356 0.737 1.00 0.00 C ATOM 651 OD1 ASN A 43 7.500 -19.172 0.970 1.00 0.00 O ATOM 652 ND2 ASN A 43 6.671 -21.190 1.021 1.00 0.00 N ATOM 0 H ASN A 43 8.190 -20.085 -2.150 1.00 0.00 H new ATOM 0 HA ASN A 43 9.695 -18.876 0.036 1.00 0.00 H new ATOM 0 HB2 ASN A 43 8.705 -21.695 -0.584 1.00 0.00 H new ATOM 0 HB3 ASN A 43 9.577 -21.297 0.883 1.00 0.00 H new ATOM 0 HD21 ASN A 43 5.806 -20.847 1.439 1.00 0.00 H new ATOM 0 HD22 ASN A 43 6.784 -22.185 0.825 1.00 0.00 H new ATOM 659 N LEU A 44 11.224 -20.704 -2.191 1.00 0.00 N ATOM 660 CA LEU A 44 12.583 -21.137 -2.619 1.00 0.00 C ATOM 661 C LEU A 44 13.470 -19.903 -2.779 1.00 0.00 C ATOM 662 O LEU A 44 14.648 -19.928 -2.481 1.00 0.00 O ATOM 663 CB LEU A 44 12.488 -21.875 -3.956 1.00 0.00 C ATOM 664 CG LEU A 44 13.782 -22.656 -4.208 1.00 0.00 C ATOM 665 CD1 LEU A 44 14.947 -21.680 -4.382 1.00 0.00 C ATOM 666 CD2 LEU A 44 14.065 -23.580 -3.021 1.00 0.00 C ATOM 0 H LEU A 44 10.484 -20.849 -2.877 1.00 0.00 H new ATOM 0 HA LEU A 44 13.010 -21.804 -1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.637 -22.556 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.318 -21.163 -4.764 1.00 0.00 H new ATOM 0 HG LEU A 44 13.670 -23.252 -5.114 1.00 0.00 H new ATOM 0 HD11 LEU A 44 15.866 -22.238 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 44 14.749 -21.025 -5.230 1.00 0.00 H new ATOM 0 HD13 LEU A 44 15.057 -21.080 -3.479 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.986 -24.134 -3.203 1.00 0.00 H new ATOM 0 HD22 LEU A 44 14.173 -22.985 -2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 44 13.238 -24.280 -2.900 1.00 0.00 H new ATOM 678 N ILE A 45 12.912 -18.817 -3.243 1.00 0.00 N ATOM 679 CA ILE A 45 13.722 -17.577 -3.418 1.00 0.00 C ATOM 680 C ILE A 45 13.910 -16.902 -2.057 1.00 0.00 C ATOM 681 O ILE A 45 15.000 -16.502 -1.698 1.00 0.00 O ATOM 682 CB ILE A 45 13.005 -16.614 -4.371 1.00 0.00 C ATOM 683 CG1 ILE A 45 12.124 -17.408 -5.344 1.00 0.00 C ATOM 684 CG2 ILE A 45 14.048 -15.813 -5.157 1.00 0.00 C ATOM 685 CD1 ILE A 45 11.726 -16.518 -6.525 1.00 0.00 C ATOM 0 H ILE A 45 11.931 -18.735 -3.508 1.00 0.00 H new ATOM 0 HA ILE A 45 14.693 -17.837 -3.839 1.00 0.00 H new ATOM 0 HB ILE A 45 12.377 -15.933 -3.796 1.00 0.00 H new ATOM 0 HG12 ILE A 45 12.662 -18.286 -5.703 1.00 0.00 H new ATOM 0 HG13 ILE A 45 11.232 -17.768 -4.831 1.00 0.00 H new ATOM 0 HG21 ILE A 45 13.543 -15.126 -5.836 1.00 0.00 H new ATOM 0 HG22 ILE A 45 14.669 -15.246 -4.464 1.00 0.00 H new ATOM 0 HG23 ILE A 45 14.675 -16.496 -5.731 1.00 0.00 H new ATOM 0 HD11 ILE A 45 11.100 -17.086 -7.214 1.00 0.00 H new ATOM 0 HD12 ILE A 45 11.171 -15.654 -6.159 1.00 0.00 H new ATOM 0 HD13 ILE A 45 12.623 -16.180 -7.044 1.00 0.00 H new ATOM 697 N ARG A 46 12.856 -16.777 -1.294 1.00 0.00 N ATOM 698 CA ARG A 46 12.979 -16.134 0.046 1.00 0.00 C ATOM 699 C ARG A 46 13.635 -17.118 1.015 1.00 0.00 C ATOM 700 O ARG A 46 14.392 -16.740 1.887 1.00 0.00 O ATOM 701 CB ARG A 46 11.588 -15.760 0.566 1.00 0.00 C ATOM 702 CG ARG A 46 11.005 -14.634 -0.291 1.00 0.00 C ATOM 703 CD ARG A 46 9.686 -14.156 0.321 1.00 0.00 C ATOM 704 NE ARG A 46 8.786 -15.324 0.540 1.00 0.00 N ATOM 705 CZ ARG A 46 7.618 -15.153 1.098 1.00 0.00 C ATOM 706 NH1 ARG A 46 7.331 -15.767 2.213 1.00 0.00 N ATOM 707 NH2 ARG A 46 6.736 -14.370 0.538 1.00 0.00 N ATOM 0 H ARG A 46 11.918 -17.092 -1.541 1.00 0.00 H new ATOM 0 HA ARG A 46 13.588 -15.234 -0.035 1.00 0.00 H new ATOM 0 HB2 ARG A 46 10.932 -16.630 0.537 1.00 0.00 H new ATOM 0 HB3 ARG A 46 11.651 -15.443 1.607 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.711 -13.806 -0.351 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.839 -14.986 -1.309 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.875 -13.647 1.266 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.207 -13.434 -0.340 1.00 0.00 H new ATOM 0 HE ARG A 46 9.083 -16.257 0.254 1.00 0.00 H new ATOM 0 HH11 ARG A 46 8.019 -16.381 2.649 1.00 0.00 H new ATOM 0 HH12 ARG A 46 6.418 -15.633 2.649 1.00 0.00 H new ATOM 0 HH21 ARG A 46 6.960 -13.892 -0.335 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.823 -14.236 0.974 1.00 0.00 H new ATOM 721 N GLN A 47 13.349 -18.381 0.865 1.00 0.00 N ATOM 722 CA GLN A 47 13.950 -19.402 1.768 1.00 0.00 C ATOM 723 C GLN A 47 13.498 -19.148 3.207 1.00 0.00 C ATOM 724 O GLN A 47 14.265 -19.273 4.141 1.00 0.00 O ATOM 725 CB GLN A 47 15.475 -19.320 1.685 1.00 0.00 C ATOM 726 CG GLN A 47 15.925 -19.699 0.271 1.00 0.00 C ATOM 727 CD GLN A 47 17.452 -19.675 0.197 1.00 0.00 C ATOM 728 OE1 GLN A 47 18.106 -19.131 1.065 1.00 0.00 O ATOM 729 NE2 GLN A 47 18.053 -20.244 -0.812 1.00 0.00 N ATOM 0 H GLN A 47 12.721 -18.752 0.152 1.00 0.00 H new ATOM 0 HA GLN A 47 13.623 -20.395 1.460 1.00 0.00 H new ATOM 0 HB2 GLN A 47 15.810 -18.312 1.928 1.00 0.00 H new ATOM 0 HB3 GLN A 47 15.927 -19.991 2.415 1.00 0.00 H new ATOM 0 HG2 GLN A 47 15.554 -20.691 0.014 1.00 0.00 H new ATOM 0 HG3 GLN A 47 15.504 -19.003 -0.455 1.00 0.00 H new ATOM 0 HE21 GLN A 47 17.505 -20.701 -1.541 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.071 -20.232 -0.872 1.00 0.00 H new ATOM 738 N THR A 48 12.254 -18.798 3.394 1.00 0.00 N ATOM 739 CA THR A 48 11.752 -18.542 4.772 1.00 0.00 C ATOM 740 C THR A 48 10.786 -19.660 5.179 1.00 0.00 C ATOM 741 O THR A 48 10.150 -19.598 6.212 1.00 0.00 O ATOM 742 CB THR A 48 11.021 -17.197 4.808 1.00 0.00 C ATOM 743 OG1 THR A 48 9.813 -17.297 4.069 1.00 0.00 O ATOM 744 CG2 THR A 48 11.912 -16.116 4.193 1.00 0.00 C ATOM 0 H THR A 48 11.565 -18.679 2.652 1.00 0.00 H new ATOM 0 HA THR A 48 12.592 -18.517 5.466 1.00 0.00 H new ATOM 0 HB THR A 48 10.793 -16.933 5.841 1.00 0.00 H new ATOM 0 HG1 THR A 48 9.082 -17.553 4.670 1.00 0.00 H new ATOM 0 HG21 THR A 48 11.392 -15.158 4.218 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.839 -16.041 4.762 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.141 -16.377 3.160 1.00 0.00 H new ATOM 752 N ASN A 49 10.675 -20.681 4.374 1.00 0.00 N ATOM 753 CA ASN A 49 9.755 -21.804 4.713 1.00 0.00 C ATOM 754 C ASN A 49 8.392 -21.248 5.131 1.00 0.00 C ATOM 755 O ASN A 49 7.935 -21.464 6.236 1.00 0.00 O ATOM 756 CB ASN A 49 10.348 -22.619 5.865 1.00 0.00 C ATOM 757 CG ASN A 49 11.729 -23.138 5.461 1.00 0.00 C ATOM 758 OD1 ASN A 49 12.038 -23.231 4.290 1.00 0.00 O ATOM 759 ND2 ASN A 49 12.580 -23.485 6.389 1.00 0.00 N ATOM 0 H ASN A 49 11.182 -20.786 3.495 1.00 0.00 H new ATOM 0 HA ASN A 49 9.630 -22.443 3.839 1.00 0.00 H new ATOM 0 HB2 ASN A 49 10.427 -22.001 6.760 1.00 0.00 H new ATOM 0 HB3 ASN A 49 9.691 -23.453 6.111 1.00 0.00 H new ATOM 0 HD21 ASN A 49 13.503 -23.834 6.130 1.00 0.00 H new ATOM 0 HD22 ASN A 49 12.322 -23.407 7.373 1.00 0.00 H new ATOM 766 N THR A 50 7.736 -20.537 4.254 1.00 0.00 N ATOM 767 CA THR A 50 6.400 -19.974 4.603 1.00 0.00 C ATOM 768 C THR A 50 5.337 -21.064 4.467 1.00 0.00 C ATOM 769 O THR A 50 5.297 -21.786 3.490 1.00 0.00 O ATOM 770 CB THR A 50 6.067 -18.821 3.651 1.00 0.00 C ATOM 771 OG1 THR A 50 7.053 -17.806 3.777 1.00 0.00 O ATOM 772 CG2 THR A 50 4.692 -18.248 4.001 1.00 0.00 C ATOM 0 H THR A 50 8.066 -20.322 3.313 1.00 0.00 H new ATOM 0 HA THR A 50 6.418 -19.607 5.629 1.00 0.00 H new ATOM 0 HB THR A 50 6.053 -19.188 2.625 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.874 -17.274 4.580 1.00 0.00 H new ATOM 0 HG21 THR A 50 4.456 -17.428 3.323 1.00 0.00 H new ATOM 0 HG22 THR A 50 3.937 -19.028 3.903 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.702 -17.879 5.027 1.00 0.00 H new ATOM 780 N HIS A 51 4.474 -21.192 5.438 1.00 0.00 N ATOM 781 CA HIS A 51 3.416 -22.238 5.357 1.00 0.00 C ATOM 782 C HIS A 51 2.073 -21.581 5.039 1.00 0.00 C ATOM 783 O HIS A 51 1.994 -20.395 4.783 1.00 0.00 O ATOM 784 CB HIS A 51 3.314 -22.976 6.693 1.00 0.00 C ATOM 785 CG HIS A 51 4.671 -23.051 7.334 1.00 0.00 C ATOM 786 ND1 HIS A 51 5.655 -23.920 6.887 1.00 0.00 N ATOM 787 CD2 HIS A 51 5.227 -22.369 8.388 1.00 0.00 C ATOM 788 CE1 HIS A 51 6.739 -23.739 7.661 1.00 0.00 C ATOM 789 NE2 HIS A 51 6.533 -22.804 8.593 1.00 0.00 N ATOM 0 H HIS A 51 4.456 -20.619 6.282 1.00 0.00 H new ATOM 0 HA HIS A 51 3.673 -22.948 4.571 1.00 0.00 H new ATOM 0 HB2 HIS A 51 2.617 -22.459 7.353 1.00 0.00 H new ATOM 0 HB3 HIS A 51 2.919 -23.980 6.536 1.00 0.00 H new ATOM 0 HD2 HIS A 51 4.726 -21.610 8.970 1.00 0.00 H new ATOM 0 HE1 HIS A 51 7.664 -24.283 7.544 1.00 0.00 H new ATOM 0 HE2 HIS A 51 7.191 -22.479 9.302 1.00 0.00 H new ATOM 797 N ILE A 52 1.016 -22.344 5.052 1.00 0.00 N ATOM 798 CA ILE A 52 -0.323 -21.767 4.750 1.00 0.00 C ATOM 799 C ILE A 52 -0.989 -21.310 6.047 1.00 0.00 C ATOM 800 O ILE A 52 -1.112 -22.059 6.996 1.00 0.00 O ATOM 801 CB ILE A 52 -1.196 -22.826 4.076 1.00 0.00 C ATOM 802 CG1 ILE A 52 -0.465 -23.392 2.857 1.00 0.00 C ATOM 803 CG2 ILE A 52 -2.512 -22.186 3.633 1.00 0.00 C ATOM 804 CD1 ILE A 52 -0.009 -22.243 1.955 1.00 0.00 C ATOM 0 H ILE A 52 1.022 -23.343 5.259 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.205 -20.913 4.082 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.401 -23.633 4.779 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.395 -23.981 3.177 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -1.123 -24.063 2.304 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -3.138 -22.937 3.152 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -3.032 -21.784 4.503 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.306 -21.380 2.929 1.00 0.00 H new ATOM 0 HD11 ILE A 52 0.512 -22.647 1.087 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -0.877 -21.673 1.625 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.664 -21.590 2.510 1.00 0.00 H new ATOM 816 N ARG A 53 -1.425 -20.083 6.089 1.00 0.00 N ATOM 817 CA ARG A 53 -2.090 -19.560 7.313 1.00 0.00 C ATOM 818 C ARG A 53 -3.536 -20.046 7.346 1.00 0.00 C ATOM 819 O ARG A 53 -4.017 -20.554 8.340 1.00 0.00 O ATOM 820 CB ARG A 53 -2.084 -18.034 7.270 1.00 0.00 C ATOM 821 CG ARG A 53 -2.586 -17.485 8.602 1.00 0.00 C ATOM 822 CD ARG A 53 -2.356 -15.975 8.650 1.00 0.00 C ATOM 823 NE ARG A 53 -2.837 -15.441 9.956 1.00 0.00 N ATOM 824 CZ ARG A 53 -2.882 -14.153 10.158 1.00 0.00 C ATOM 825 NH1 ARG A 53 -1.920 -13.561 10.810 1.00 0.00 N ATOM 826 NH2 ARG A 53 -3.891 -13.457 9.708 1.00 0.00 N ATOM 0 H ARG A 53 -1.348 -19.415 5.322 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.560 -19.912 8.198 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.076 -17.669 7.071 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -2.718 -17.680 6.457 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.647 -17.706 8.722 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -2.064 -17.970 9.427 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -1.296 -15.753 8.522 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -2.884 -15.489 7.829 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.131 -16.083 10.692 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -1.132 -14.105 11.162 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -1.955 -12.554 10.968 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -4.644 -13.920 9.199 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.927 -12.450 9.866 1.00 0.00 H new ATOM 840 N SER A 54 -4.230 -19.885 6.259 1.00 0.00 N ATOM 841 CA SER A 54 -5.649 -20.322 6.197 1.00 0.00 C ATOM 842 C SER A 54 -6.049 -20.499 4.733 1.00 0.00 C ATOM 843 O SER A 54 -5.469 -19.906 3.846 1.00 0.00 O ATOM 844 CB SER A 54 -6.536 -19.257 6.848 1.00 0.00 C ATOM 845 OG SER A 54 -6.567 -18.100 6.025 1.00 0.00 O ATOM 0 H SER A 54 -3.872 -19.465 5.401 1.00 0.00 H new ATOM 0 HA SER A 54 -5.772 -21.266 6.728 1.00 0.00 H new ATOM 0 HB2 SER A 54 -7.545 -19.644 6.987 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.153 -19.003 7.836 1.00 0.00 H new ATOM 0 HG SER A 54 -7.136 -17.418 6.440 1.00 0.00 H new ATOM 851 N THR A 55 -7.029 -21.316 4.467 1.00 0.00 N ATOM 852 CA THR A 55 -7.450 -21.530 3.055 1.00 0.00 C ATOM 853 C THR A 55 -8.081 -20.251 2.504 1.00 0.00 C ATOM 854 O THR A 55 -8.798 -19.553 3.192 1.00 0.00 O ATOM 855 CB THR A 55 -8.468 -22.672 2.993 1.00 0.00 C ATOM 856 OG1 THR A 55 -9.718 -22.217 3.492 1.00 0.00 O ATOM 857 CG2 THR A 55 -7.975 -23.845 3.841 1.00 0.00 C ATOM 0 H THR A 55 -7.555 -21.843 5.164 1.00 0.00 H new ATOM 0 HA THR A 55 -6.578 -21.787 2.454 1.00 0.00 H new ATOM 0 HB THR A 55 -8.585 -22.998 1.960 1.00 0.00 H new ATOM 0 HG1 THR A 55 -10.371 -22.946 3.451 1.00 0.00 H new ATOM 0 HG21 THR A 55 -8.701 -24.657 3.796 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.016 -24.194 3.457 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.856 -23.522 4.875 1.00 0.00 H new ATOM 865 N GLY A 56 -7.818 -19.941 1.263 1.00 0.00 N ATOM 866 CA GLY A 56 -8.399 -18.710 0.659 1.00 0.00 C ATOM 867 C GLY A 56 -7.394 -17.565 0.767 1.00 0.00 C ATOM 868 O GLY A 56 -6.424 -17.639 1.495 1.00 0.00 O ATOM 0 H GLY A 56 -7.224 -20.489 0.641 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -8.651 -18.889 -0.386 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -9.325 -18.444 1.169 1.00 0.00 H new ATOM 872 N LYS A 57 -7.620 -16.505 0.045 1.00 0.00 N ATOM 873 CA LYS A 57 -6.684 -15.348 0.100 1.00 0.00 C ATOM 874 C LYS A 57 -6.753 -14.705 1.487 1.00 0.00 C ATOM 875 O LYS A 57 -7.791 -14.675 2.116 1.00 0.00 O ATOM 876 CB LYS A 57 -7.080 -14.320 -0.963 1.00 0.00 C ATOM 877 CG LYS A 57 -6.828 -14.903 -2.355 1.00 0.00 C ATOM 878 CD LYS A 57 -6.866 -13.781 -3.393 1.00 0.00 C ATOM 879 CE LYS A 57 -6.905 -14.386 -4.798 1.00 0.00 C ATOM 880 NZ LYS A 57 -7.077 -13.300 -5.804 1.00 0.00 N ATOM 0 H LYS A 57 -8.415 -16.389 -0.583 1.00 0.00 H new ATOM 0 HA LYS A 57 -5.667 -15.691 -0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -8.131 -14.054 -0.853 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -6.504 -13.404 -0.831 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -5.860 -15.404 -2.381 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -7.583 -15.654 -2.588 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -7.741 -13.152 -3.232 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -5.990 -13.142 -3.285 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -5.984 -14.935 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -7.725 -15.100 -4.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -7.103 -13.712 -6.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -7.967 -12.794 -5.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -6.281 -12.635 -5.736 1.00 0.00 H new ATOM 894 N CYS A 58 -5.654 -14.190 1.968 1.00 0.00 N ATOM 895 CA CYS A 58 -5.658 -13.552 3.315 1.00 0.00 C ATOM 896 C CYS A 58 -6.730 -12.462 3.363 1.00 0.00 C ATOM 897 O CYS A 58 -7.051 -11.849 2.364 1.00 0.00 O ATOM 898 CB CYS A 58 -4.288 -12.930 3.591 1.00 0.00 C ATOM 899 SG CYS A 58 -3.010 -14.209 3.495 1.00 0.00 S ATOM 0 H CYS A 58 -4.755 -14.184 1.487 1.00 0.00 H new ATOM 0 HA CYS A 58 -5.874 -14.307 4.071 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -4.083 -12.142 2.867 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -4.280 -12.467 4.578 1.00 0.00 H new ATOM 904 N GLU A 59 -7.285 -12.213 4.518 1.00 0.00 N ATOM 905 CA GLU A 59 -8.335 -11.162 4.629 1.00 0.00 C ATOM 906 C GLU A 59 -7.713 -9.789 4.359 1.00 0.00 C ATOM 907 O GLU A 59 -6.685 -9.746 3.704 1.00 0.00 O ATOM 908 CB GLU A 59 -8.931 -11.181 6.039 1.00 0.00 C ATOM 909 CG GLU A 59 -9.769 -12.449 6.221 1.00 0.00 C ATOM 910 CD GLU A 59 -10.556 -12.355 7.529 1.00 0.00 C ATOM 911 OE1 GLU A 59 -10.365 -11.387 8.245 1.00 0.00 O ATOM 912 OE2 GLU A 59 -11.340 -13.254 7.791 1.00 0.00 O ATOM 913 OXT GLU A 59 -8.275 -8.807 4.814 1.00 0.00 O ATOM 0 H GLU A 59 -7.056 -12.692 5.389 1.00 0.00 H new ATOM 0 HA GLU A 59 -9.121 -11.357 3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -8.135 -11.149 6.783 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -9.550 -10.297 6.196 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -10.452 -12.570 5.381 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -9.122 -13.326 6.235 1.00 0.00 H new