USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 745 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 45 HIS : no HE2:sc= 1.29 K(o=-3.6,f=-13!) USER MOD Set 1.2: A 49 CYS SG : rot 95:sc= -0.0589 USER MOD Set 1.3: A 57 CYS SG : rot -50:sc= -2.07! USER MOD Set 1.4: A 60 CYS SG : rot 108:sc= -2.77! USER MOD Set 2.1: A 22 HIS : no HD1:sc= -1.54! K(o=-3!,f=0.59) USER MOD Set 2.2: A 26 CYS SG : rot 170:sc= 1.09 USER MOD Set 2.3: A 36 CYS SG : rot 180:sc= -4.89! USER MOD Set 2.4: A 40 LYS NZ :NH3+ 174:sc= 2.36 (180deg=1.11) USER MOD Single : A 8 SER OG : rot 180:sc= 0.145 USER MOD Single : A 12 SER OG : rot 69:sc= -0.198 USER MOD Single : A 14 GLN : amide:sc= -1.3! X(o=-1.3!,f=-0.9) USER MOD Single : A 18 GLN : amide:sc= 0 K(o=0,f=-0.57) USER MOD Single : A 19 SER OG : rot 87:sc= -0.621 USER MOD Single : A 25 GLN : amide:sc= -0.12 X(o=-0.12,f=0) USER MOD Single : A 28 ASN : amide:sc= 0.0135 K(o=0.014,f=-3.8!) USER MOD Single : A 30 ASN : amide:sc= -0.0287 K(o=-0.029,f=-1.2!) USER MOD Single : A 31 CYS SG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= -0.743 USER MOD Single : A 35 SER OG : rot -89:sc= 1.31 USER MOD Single : A 37 GLN : amide:sc= -1.22 X(o=-1.2,f=-1.7) USER MOD Single : A 38 LYS NZ :NH3+ 165:sc= -0.437 (180deg=-0.748) USER MOD Single : A 39 MET CE :methyl -177:sc= -2.91! (180deg=-3.04!) USER MOD Single : A 44 GLN : amide:sc= -1.62! K(o=-1.6!,f=-0.042) USER MOD Single : A 46 THR OG1 : rot 180:sc= -1.93! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ -171:sc= 0.597 (180deg=0.46) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.0133 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 GLN : amide:sc= -1.39 K(o=-1.4,f=-2.9!) USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= -7.29! C(o=-7.3!,f=-10!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 GLN : amide:sc= -0.213 X(o=-0.21,f=-0.02) USER MOD Single : A 77 ASN : amide:sc= -0.272 X(o=-0.27,f=-0.079) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot -3:sc= -0.427 USER MOD Single : A 84 CYS SG : rot 170:sc= -0.402 USER MOD Single : A 86 ASN : amide:sc= -0.181 K(o=-0.18,f=0.75) USER MOD Single : A 88 LYS NZ :NH3+ 150:sc= 0.725 (180deg=0.583) USER MOD Single : B 12 SER OG : rot 28:sc= 0.845 USER MOD Single : B 18 GLN : amide:sc= 0.669 K(o=0.67,f=-0.22) USER MOD Single : B 21 THR OG1 : rot 111:sc= 0.905 USER MOD ----------------------------------------------------------------- ATOM 76 N ASP A 7 13.249 -11.085 1.401 1.00 0.00 N ATOM 77 CA ASP A 7 12.987 -10.847 0.032 1.00 0.00 C ATOM 78 C ASP A 7 11.487 -11.044 0.001 1.00 0.00 C ATOM 79 O ASP A 7 10.757 -10.218 -0.489 1.00 0.00 O ATOM 80 CB ASP A 7 13.589 -11.922 -0.815 1.00 0.00 C ATOM 81 CG ASP A 7 13.620 -11.610 -2.293 1.00 0.00 C ATOM 82 OD1 ASP A 7 14.619 -11.006 -2.761 1.00 0.00 O ATOM 83 OD2 ASP A 7 12.720 -11.991 -3.013 1.00 0.00 O ATOM 0 HA ASP A 7 13.366 -9.890 -0.326 1.00 0.00 H new ATOM 0 HB2 ASP A 7 14.607 -12.108 -0.474 1.00 0.00 H new ATOM 0 HB3 ASP A 7 13.028 -12.844 -0.663 1.00 0.00 H new ATOM 88 N SER A 8 11.056 -12.102 0.701 1.00 0.00 N ATOM 89 CA SER A 8 9.701 -12.416 0.838 1.00 0.00 C ATOM 90 C SER A 8 8.865 -11.301 1.595 1.00 0.00 C ATOM 91 O SER A 8 7.775 -10.964 1.155 1.00 0.00 O ATOM 92 CB SER A 8 9.597 -13.770 1.454 1.00 0.00 C ATOM 93 OG SER A 8 10.739 -13.967 2.280 1.00 0.00 O ATOM 0 H SER A 8 11.681 -12.750 1.181 1.00 0.00 H new ATOM 0 HA SER A 8 9.237 -12.441 -0.148 1.00 0.00 H new ATOM 0 HB2 SER A 8 8.683 -13.852 2.042 1.00 0.00 H new ATOM 0 HB3 SER A 8 9.549 -14.537 0.681 1.00 0.00 H new ATOM 0 HG SER A 8 10.692 -14.852 2.698 1.00 0.00 H new ATOM 99 N ARG A 9 9.427 -10.728 2.724 1.00 0.00 N ATOM 100 CA ARG A 9 8.859 -9.631 3.471 1.00 0.00 C ATOM 101 C ARG A 9 8.646 -8.479 2.481 1.00 0.00 C ATOM 102 O ARG A 9 7.565 -7.920 2.387 1.00 0.00 O ATOM 103 CB ARG A 9 9.895 -9.184 4.565 1.00 0.00 C ATOM 104 CG ARG A 9 9.412 -8.212 5.544 1.00 0.00 C ATOM 105 CD ARG A 9 8.313 -8.792 6.420 1.00 0.00 C ATOM 106 NE ARG A 9 8.816 -9.854 7.289 1.00 0.00 N ATOM 107 CZ ARG A 9 8.281 -11.068 7.449 1.00 0.00 C ATOM 108 NH1 ARG A 9 7.232 -11.454 6.722 1.00 0.00 N ATOM 109 NH2 ARG A 9 8.814 -11.902 8.341 1.00 0.00 N ATOM 0 H ARG A 9 10.310 -11.055 3.115 1.00 0.00 H new ATOM 0 HA ARG A 9 7.922 -9.914 3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.234 -10.071 5.100 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.765 -8.762 4.062 1.00 0.00 H new ATOM 0 HG2 ARG A 9 10.241 -7.884 6.171 1.00 0.00 H new ATOM 0 HG3 ARG A 9 9.036 -7.330 5.026 1.00 0.00 H new ATOM 0 HD2 ARG A 9 7.877 -8.000 7.029 1.00 0.00 H new ATOM 0 HD3 ARG A 9 7.515 -9.185 5.790 1.00 0.00 H new ATOM 0 HE ARG A 9 9.658 -9.648 7.826 1.00 0.00 H new ATOM 0 HH11 ARG A 9 6.828 -10.820 6.033 1.00 0.00 H new ATOM 0 HH12 ARG A 9 6.834 -12.384 6.855 1.00 0.00 H new ATOM 0 HH21 ARG A 9 9.621 -11.611 8.892 1.00 0.00 H new ATOM 0 HH22 ARG A 9 8.415 -12.831 8.472 1.00 0.00 H new ATOM 123 N ARG A 10 9.704 -8.177 1.706 1.00 0.00 N ATOM 124 CA ARG A 10 9.656 -7.134 0.691 1.00 0.00 C ATOM 125 C ARG A 10 8.606 -7.381 -0.306 1.00 0.00 C ATOM 126 O ARG A 10 7.793 -6.555 -0.492 1.00 0.00 O ATOM 127 CB ARG A 10 10.890 -7.051 -0.074 1.00 0.00 C ATOM 128 CG ARG A 10 12.078 -6.628 0.649 1.00 0.00 C ATOM 129 CD ARG A 10 13.134 -6.679 -0.332 1.00 0.00 C ATOM 130 NE ARG A 10 14.457 -6.425 0.199 1.00 0.00 N ATOM 131 CZ ARG A 10 15.588 -6.657 -0.485 1.00 0.00 C ATOM 132 NH1 ARG A 10 15.540 -7.184 -1.717 1.00 0.00 N ATOM 133 NH2 ARG A 10 16.756 -6.383 0.061 1.00 0.00 N ATOM 0 H ARG A 10 10.605 -8.651 1.773 1.00 0.00 H new ATOM 0 HA ARG A 10 9.472 -6.218 1.253 1.00 0.00 H new ATOM 0 HB2 ARG A 10 11.087 -8.031 -0.509 1.00 0.00 H new ATOM 0 HB3 ARG A 10 10.731 -6.360 -0.902 1.00 0.00 H new ATOM 0 HG2 ARG A 10 11.960 -5.623 1.053 1.00 0.00 H new ATOM 0 HG3 ARG A 10 12.286 -7.288 1.491 1.00 0.00 H new ATOM 0 HD2 ARG A 10 13.128 -7.662 -0.804 1.00 0.00 H new ATOM 0 HD3 ARG A 10 12.923 -5.949 -1.113 1.00 0.00 H new ATOM 0 HE ARG A 10 14.533 -6.049 1.144 1.00 0.00 H new ATOM 0 HH11 ARG A 10 14.640 -7.411 -2.140 1.00 0.00 H new ATOM 0 HH12 ARG A 10 16.404 -7.358 -2.231 1.00 0.00 H new ATOM 0 HH21 ARG A 10 16.800 -5.995 1.003 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.616 -6.559 -0.459 1.00 0.00 H new ATOM 147 N LEU A 11 8.673 -8.534 -0.984 1.00 0.00 N ATOM 148 CA LEU A 11 7.701 -8.926 -2.009 1.00 0.00 C ATOM 149 C LEU A 11 6.329 -8.783 -1.535 1.00 0.00 C ATOM 150 O LEU A 11 5.476 -8.299 -2.235 1.00 0.00 O ATOM 151 CB LEU A 11 7.915 -10.329 -2.420 1.00 0.00 C ATOM 152 CG LEU A 11 9.098 -10.517 -3.304 1.00 0.00 C ATOM 153 CD1 LEU A 11 9.768 -11.718 -2.880 1.00 0.00 C ATOM 154 CD2 LEU A 11 8.693 -10.592 -4.767 1.00 0.00 C ATOM 0 H LEU A 11 9.409 -9.225 -0.835 1.00 0.00 H new ATOM 0 HA LEU A 11 7.852 -8.261 -2.859 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.036 -10.945 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.025 -10.687 -2.937 1.00 0.00 H new ATOM 0 HG LEU A 11 9.770 -9.663 -3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 11 10.643 -11.888 -3.508 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.082 -11.612 -1.841 1.00 0.00 H new ATOM 0 HD13 LEU A 11 9.088 -12.565 -2.969 1.00 0.00 H new ATOM 0 HD21 LEU A 11 9.581 -10.729 -5.384 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.015 -11.433 -4.914 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.192 -9.668 -5.054 1.00 0.00 H new ATOM 166 N SER A 12 6.152 -9.145 -0.313 1.00 0.00 N ATOM 167 CA SER A 12 4.869 -9.081 0.340 1.00 0.00 C ATOM 168 C SER A 12 4.371 -7.599 0.360 1.00 0.00 C ATOM 169 O SER A 12 3.221 -7.311 0.022 1.00 0.00 O ATOM 170 CB SER A 12 4.991 -9.705 1.750 1.00 0.00 C ATOM 171 OG SER A 12 3.744 -9.811 2.419 1.00 0.00 O ATOM 0 H SER A 12 6.901 -9.502 0.281 1.00 0.00 H new ATOM 0 HA SER A 12 4.119 -9.657 -0.203 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.437 -10.696 1.665 1.00 0.00 H new ATOM 0 HB3 SER A 12 5.670 -9.100 2.352 1.00 0.00 H new ATOM 0 HG SER A 12 3.192 -10.488 1.976 1.00 0.00 H new ATOM 177 N ILE A 13 5.280 -6.672 0.647 1.00 0.00 N ATOM 178 CA ILE A 13 4.927 -5.220 0.627 1.00 0.00 C ATOM 179 C ILE A 13 4.976 -4.663 -0.717 1.00 0.00 C ATOM 180 O ILE A 13 4.253 -3.797 -1.008 1.00 0.00 O ATOM 181 CB ILE A 13 5.702 -4.256 1.498 1.00 0.00 C ATOM 182 CG1 ILE A 13 6.751 -4.932 2.179 1.00 0.00 C ATOM 183 CG2 ILE A 13 4.766 -3.544 2.445 1.00 0.00 C ATOM 184 CD1 ILE A 13 7.637 -4.071 2.904 1.00 0.00 C ATOM 0 H ILE A 13 6.249 -6.873 0.893 1.00 0.00 H new ATOM 0 HA ILE A 13 3.926 -5.282 1.055 1.00 0.00 H new ATOM 0 HB ILE A 13 6.169 -3.497 0.870 1.00 0.00 H new ATOM 0 HG12 ILE A 13 6.314 -5.650 2.872 1.00 0.00 H new ATOM 0 HG13 ILE A 13 7.331 -5.502 1.453 1.00 0.00 H new ATOM 0 HG21 ILE A 13 5.334 -2.853 3.067 1.00 0.00 H new ATOM 0 HG22 ILE A 13 4.022 -2.990 1.873 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.265 -4.275 3.080 1.00 0.00 H new ATOM 0 HD11 ILE A 13 8.406 -4.669 3.393 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.106 -3.369 2.215 1.00 0.00 H new ATOM 0 HD13 ILE A 13 7.073 -3.519 3.657 1.00 0.00 H new ATOM 196 N GLN A 14 5.903 -5.093 -1.499 1.00 0.00 N ATOM 197 CA GLN A 14 5.934 -4.763 -2.915 1.00 0.00 C ATOM 198 C GLN A 14 4.561 -4.997 -3.515 1.00 0.00 C ATOM 199 O GLN A 14 4.071 -4.189 -4.207 1.00 0.00 O ATOM 200 CB GLN A 14 6.966 -5.601 -3.665 1.00 0.00 C ATOM 201 CG GLN A 14 8.417 -5.362 -3.283 1.00 0.00 C ATOM 202 CD GLN A 14 9.378 -6.167 -4.146 1.00 0.00 C ATOM 203 OE1 GLN A 14 9.090 -6.470 -5.301 1.00 0.00 O ATOM 204 NE2 GLN A 14 10.529 -6.483 -3.618 1.00 0.00 N ATOM 0 H GLN A 14 6.673 -5.687 -1.191 1.00 0.00 H new ATOM 0 HA GLN A 14 6.216 -3.715 -3.013 1.00 0.00 H new ATOM 0 HB2 GLN A 14 6.737 -6.654 -3.504 1.00 0.00 H new ATOM 0 HB3 GLN A 14 6.855 -5.410 -4.732 1.00 0.00 H new ATOM 0 HG2 GLN A 14 8.646 -4.301 -3.379 1.00 0.00 H new ATOM 0 HG3 GLN A 14 8.564 -5.626 -2.236 1.00 0.00 H new ATOM 0 HE21 GLN A 14 10.739 -6.217 -2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 14 11.219 -6.996 -4.168 1.00 0.00 H new ATOM 213 N ARG A 15 3.964 -6.105 -3.178 1.00 0.00 N ATOM 214 CA ARG A 15 2.604 -6.455 -3.612 1.00 0.00 C ATOM 215 C ARG A 15 1.552 -5.667 -2.936 1.00 0.00 C ATOM 216 O ARG A 15 0.502 -5.427 -3.486 1.00 0.00 O ATOM 217 CB ARG A 15 2.360 -7.854 -3.334 1.00 0.00 C ATOM 218 CG ARG A 15 3.312 -8.713 -4.126 1.00 0.00 C ATOM 219 CD ARG A 15 2.792 -10.103 -4.219 1.00 0.00 C ATOM 220 NE ARG A 15 3.760 -11.056 -4.750 1.00 0.00 N ATOM 221 CZ ARG A 15 3.505 -11.943 -5.717 1.00 0.00 C ATOM 222 NH1 ARG A 15 2.426 -11.816 -6.489 1.00 0.00 N ATOM 223 NH2 ARG A 15 4.358 -12.920 -5.936 1.00 0.00 N ATOM 0 H ARG A 15 4.398 -6.813 -2.586 1.00 0.00 H new ATOM 0 HA ARG A 15 2.553 -6.234 -4.678 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.483 -8.048 -2.269 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.331 -8.109 -3.587 1.00 0.00 H new ATOM 0 HG2 ARG A 15 3.442 -8.298 -5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 15 4.293 -8.715 -3.651 1.00 0.00 H new ATOM 0 HD2 ARG A 15 2.478 -10.431 -3.228 1.00 0.00 H new ATOM 0 HD3 ARG A 15 1.905 -10.108 -4.852 1.00 0.00 H new ATOM 0 HE ARG A 15 4.700 -11.045 -4.355 1.00 0.00 H new ATOM 0 HH11 ARG A 15 1.785 -11.036 -6.345 1.00 0.00 H new ATOM 0 HH12 ARG A 15 2.241 -12.499 -7.224 1.00 0.00 H new ATOM 0 HH21 ARG A 15 5.204 -12.995 -5.371 1.00 0.00 H new ATOM 0 HH22 ARG A 15 4.174 -13.603 -6.671 1.00 0.00 H new ATOM 237 N ALA A 16 1.844 -5.309 -1.770 1.00 0.00 N ATOM 238 CA ALA A 16 1.031 -4.520 -0.924 1.00 0.00 C ATOM 239 C ALA A 16 0.965 -3.166 -1.504 1.00 0.00 C ATOM 240 O ALA A 16 -0.082 -2.631 -1.691 1.00 0.00 O ATOM 241 CB ALA A 16 1.654 -4.572 0.442 1.00 0.00 C ATOM 0 H ALA A 16 2.726 -5.572 -1.330 1.00 0.00 H new ATOM 0 HA ALA A 16 0.004 -4.874 -0.834 1.00 0.00 H new ATOM 0 HB1 ALA A 16 1.061 -3.976 1.135 1.00 0.00 H new ATOM 0 HB2 ALA A 16 1.686 -5.605 0.788 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.667 -4.173 0.395 1.00 0.00 H new ATOM 247 N ILE A 17 2.098 -2.682 -1.847 1.00 0.00 N ATOM 248 CA ILE A 17 2.269 -1.493 -2.568 1.00 0.00 C ATOM 249 C ILE A 17 1.711 -1.599 -3.959 1.00 0.00 C ATOM 250 O ILE A 17 1.040 -0.775 -4.337 1.00 0.00 O ATOM 251 CB ILE A 17 3.695 -1.150 -2.705 1.00 0.00 C ATOM 252 CG1 ILE A 17 4.286 -0.781 -1.434 1.00 0.00 C ATOM 253 CG2 ILE A 17 3.831 -0.042 -3.635 1.00 0.00 C ATOM 254 CD1 ILE A 17 5.716 -0.787 -1.475 1.00 0.00 C ATOM 0 H ILE A 17 2.980 -3.138 -1.615 1.00 0.00 H new ATOM 0 HA ILE A 17 1.738 -0.726 -2.004 1.00 0.00 H new ATOM 0 HB ILE A 17 4.219 -2.031 -3.075 1.00 0.00 H new ATOM 0 HG12 ILE A 17 3.938 0.212 -1.149 1.00 0.00 H new ATOM 0 HG13 ILE A 17 3.944 -1.472 -0.663 1.00 0.00 H new ATOM 0 HG21 ILE A 17 4.884 0.217 -3.741 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.429 -0.331 -4.606 1.00 0.00 H new ATOM 0 HG23 ILE A 17 3.282 0.820 -3.257 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.109 -0.504 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.068 -1.786 -1.732 1.00 0.00 H new ATOM 0 HD13 ILE A 17 6.061 -0.076 -2.225 1.00 0.00 H new ATOM 266 N GLN A 18 2.076 -2.610 -4.728 1.00 0.00 N ATOM 267 CA GLN A 18 1.565 -2.773 -6.098 1.00 0.00 C ATOM 268 C GLN A 18 0.091 -2.803 -6.060 1.00 0.00 C ATOM 269 O GLN A 18 -0.540 -2.230 -6.912 1.00 0.00 O ATOM 270 CB GLN A 18 2.048 -4.078 -6.731 1.00 0.00 C ATOM 271 CG GLN A 18 3.502 -4.124 -7.113 1.00 0.00 C ATOM 272 CD GLN A 18 3.918 -5.500 -7.573 1.00 0.00 C ATOM 273 OE1 GLN A 18 3.113 -6.251 -8.132 1.00 0.00 O ATOM 274 NE2 GLN A 18 5.158 -5.860 -7.338 1.00 0.00 N ATOM 0 H GLN A 18 2.727 -3.339 -4.435 1.00 0.00 H new ATOM 0 HA GLN A 18 1.933 -1.937 -6.693 1.00 0.00 H new ATOM 0 HB2 GLN A 18 1.849 -4.892 -6.034 1.00 0.00 H new ATOM 0 HB3 GLN A 18 1.452 -4.269 -7.623 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.692 -3.402 -7.908 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.111 -3.826 -6.260 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.797 -5.215 -6.874 1.00 0.00 H new ATOM 0 HE22 GLN A 18 5.483 -6.785 -7.619 1.00 0.00 H new ATOM 283 N SER A 19 -0.464 -3.443 -5.048 1.00 0.00 N ATOM 284 CA SER A 19 -1.865 -3.439 -4.915 1.00 0.00 C ATOM 285 C SER A 19 -2.310 -2.126 -4.556 1.00 0.00 C ATOM 286 O SER A 19 -3.199 -1.641 -5.142 1.00 0.00 O ATOM 287 CB SER A 19 -2.363 -4.459 -3.958 1.00 0.00 C ATOM 288 OG SER A 19 -2.064 -5.739 -4.458 1.00 0.00 O ATOM 0 H SER A 19 0.044 -3.958 -4.329 1.00 0.00 H new ATOM 0 HA SER A 19 -2.287 -3.713 -5.882 1.00 0.00 H new ATOM 0 HB2 SER A 19 -1.899 -4.318 -2.982 1.00 0.00 H new ATOM 0 HB3 SER A 19 -3.439 -4.351 -3.818 1.00 0.00 H new ATOM 0 HG SER A 19 -1.161 -5.997 -4.178 1.00 0.00 H new ATOM 294 N LEU A 20 -1.652 -1.541 -3.638 1.00 0.00 N ATOM 295 CA LEU A 20 -1.946 -0.282 -3.213 1.00 0.00 C ATOM 296 C LEU A 20 -1.844 0.793 -4.301 1.00 0.00 C ATOM 297 O LEU A 20 -2.720 1.585 -4.446 1.00 0.00 O ATOM 298 CB LEU A 20 -1.089 0.083 -2.113 1.00 0.00 C ATOM 299 CG LEU A 20 -1.528 1.212 -1.537 1.00 0.00 C ATOM 300 CD1 LEU A 20 -2.475 0.868 -0.466 1.00 0.00 C ATOM 301 CD2 LEU A 20 -0.444 2.104 -1.255 1.00 0.00 C ATOM 0 H LEU A 20 -0.861 -1.967 -3.155 1.00 0.00 H new ATOM 0 HA LEU A 20 -2.991 -0.317 -2.905 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.065 -0.722 -1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.068 0.221 -2.469 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.126 1.827 -2.210 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.836 1.781 0.007 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.318 0.320 -0.888 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.974 0.248 0.277 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.830 3.010 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.260 1.619 -0.578 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.065 2.363 -2.183 1.00 0.00 H new ATOM 313 N VAL A 21 -0.751 0.803 -4.998 1.00 0.00 N ATOM 314 CA VAL A 21 -0.455 1.674 -6.068 1.00 0.00 C ATOM 315 C VAL A 21 -1.510 1.523 -7.128 1.00 0.00 C ATOM 316 O VAL A 21 -2.004 2.485 -7.691 1.00 0.00 O ATOM 317 CB VAL A 21 0.953 1.364 -6.692 1.00 0.00 C ATOM 318 CG1 VAL A 21 0.976 1.919 -8.057 1.00 0.00 C ATOM 319 CG2 VAL A 21 2.163 1.868 -5.814 1.00 0.00 C ATOM 0 H VAL A 21 0.009 0.148 -4.811 1.00 0.00 H new ATOM 0 HA VAL A 21 -0.438 2.694 -5.684 1.00 0.00 H new ATOM 0 HB VAL A 21 1.091 0.283 -6.725 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.944 1.718 -8.515 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.190 1.455 -8.652 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.811 2.996 -8.015 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.101 1.618 -6.310 1.00 0.00 H new ATOM 0 HG22 VAL A 21 2.096 2.949 -5.688 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.129 1.386 -4.837 1.00 0.00 H new ATOM 329 N HIS A 22 -1.838 0.317 -7.367 1.00 0.00 N ATOM 330 CA HIS A 22 -2.846 -0.034 -8.326 1.00 0.00 C ATOM 331 C HIS A 22 -4.128 0.417 -7.816 1.00 0.00 C ATOM 332 O HIS A 22 -4.811 1.049 -8.469 1.00 0.00 O ATOM 333 CB HIS A 22 -2.845 -1.510 -8.516 1.00 0.00 C ATOM 334 CG HIS A 22 -3.724 -2.049 -9.622 1.00 0.00 C ATOM 335 ND1 HIS A 22 -3.262 -2.267 -10.891 1.00 0.00 N ATOM 336 CD2 HIS A 22 -5.022 -2.429 -9.637 1.00 0.00 C ATOM 337 CE1 HIS A 22 -4.226 -2.752 -11.640 1.00 0.00 C ATOM 338 NE2 HIS A 22 -5.305 -2.860 -10.904 1.00 0.00 N ATOM 0 H HIS A 22 -1.414 -0.484 -6.900 1.00 0.00 H new ATOM 0 HA HIS A 22 -2.652 0.437 -9.289 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -1.821 -1.828 -8.709 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -3.152 -1.975 -7.579 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -5.708 -2.398 -8.803 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -4.144 -3.017 -12.684 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.209 -3.209 -11.224 1.00 0.00 H new ATOM 347 N ALA A 23 -4.381 0.151 -6.611 1.00 0.00 N ATOM 348 CA ALA A 23 -5.599 0.501 -5.981 1.00 0.00 C ATOM 349 C ALA A 23 -5.712 2.050 -5.824 1.00 0.00 C ATOM 350 O ALA A 23 -6.780 2.599 -5.664 1.00 0.00 O ATOM 351 CB ALA A 23 -5.676 -0.262 -4.663 1.00 0.00 C ATOM 0 H ALA A 23 -3.728 -0.337 -5.998 1.00 0.00 H new ATOM 0 HA ALA A 23 -6.459 0.216 -6.587 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -6.606 -0.013 -4.152 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -5.646 -1.334 -4.861 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -4.831 0.014 -4.033 1.00 0.00 H new ATOM 357 N ALA A 24 -4.597 2.707 -5.867 1.00 0.00 N ATOM 358 CA ALA A 24 -4.518 4.132 -5.887 1.00 0.00 C ATOM 359 C ALA A 24 -4.898 4.647 -7.240 1.00 0.00 C ATOM 360 O ALA A 24 -5.704 5.563 -7.399 1.00 0.00 O ATOM 361 CB ALA A 24 -3.086 4.480 -5.681 1.00 0.00 C ATOM 0 H ALA A 24 -3.685 2.250 -5.890 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.177 4.556 -5.129 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -2.970 5.564 -5.688 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.750 4.085 -4.722 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.487 4.046 -6.482 1.00 0.00 H new ATOM 367 N GLN A 25 -4.292 4.037 -8.193 1.00 0.00 N ATOM 368 CA GLN A 25 -4.314 4.439 -9.551 1.00 0.00 C ATOM 369 C GLN A 25 -5.528 3.910 -10.291 1.00 0.00 C ATOM 370 O GLN A 25 -5.990 4.497 -11.283 1.00 0.00 O ATOM 371 CB GLN A 25 -3.072 3.874 -10.171 1.00 0.00 C ATOM 372 CG GLN A 25 -2.777 4.311 -11.530 1.00 0.00 C ATOM 373 CD GLN A 25 -1.890 3.313 -12.287 1.00 0.00 C ATOM 374 OE1 GLN A 25 -2.023 3.188 -13.496 1.00 0.00 O ATOM 375 NE2 GLN A 25 -0.928 2.647 -11.629 1.00 0.00 N ATOM 0 H GLN A 25 -3.736 3.196 -8.036 1.00 0.00 H new ATOM 0 HA GLN A 25 -4.361 5.526 -9.613 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -2.224 4.132 -9.536 1.00 0.00 H new ATOM 0 HB3 GLN A 25 -3.152 2.787 -10.170 1.00 0.00 H new ATOM 0 HG2 GLN A 25 -3.711 4.449 -12.075 1.00 0.00 H new ATOM 0 HG3 GLN A 25 -2.281 5.281 -11.497 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -0.828 2.760 -10.620 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -0.297 2.028 -12.138 1.00 0.00 H new ATOM 384 N CYS A 26 -6.025 2.839 -9.820 1.00 0.00 N ATOM 385 CA CYS A 26 -7.134 2.215 -10.361 1.00 0.00 C ATOM 386 C CYS A 26 -8.301 2.839 -9.660 1.00 0.00 C ATOM 387 O CYS A 26 -8.319 2.878 -8.425 1.00 0.00 O ATOM 388 CB CYS A 26 -7.063 0.680 -10.073 1.00 0.00 C ATOM 389 SG CYS A 26 -8.371 -0.311 -10.817 1.00 0.00 S ATOM 0 H CYS A 26 -5.642 2.358 -9.006 1.00 0.00 H new ATOM 0 HA CYS A 26 -7.205 2.333 -11.442 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -6.102 0.306 -10.426 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -7.086 0.529 -8.994 1.00 0.00 H new ATOM 0 HG CYS A 26 -8.086 -1.573 -10.688 1.00 0.00 H new ATOM 395 N ARG A 27 -9.271 3.328 -10.367 1.00 0.00 N ATOM 396 CA ARG A 27 -10.337 3.934 -9.665 1.00 0.00 C ATOM 397 C ARG A 27 -11.577 3.500 -10.270 1.00 0.00 C ATOM 398 O ARG A 27 -12.119 4.060 -11.217 1.00 0.00 O ATOM 399 CB ARG A 27 -10.229 5.485 -9.470 1.00 0.00 C ATOM 400 CG ARG A 27 -10.043 6.360 -10.725 1.00 0.00 C ATOM 401 CD ARG A 27 -8.591 6.437 -11.203 1.00 0.00 C ATOM 402 NE ARG A 27 -8.448 7.331 -12.357 1.00 0.00 N ATOM 403 CZ ARG A 27 -7.332 7.510 -13.085 1.00 0.00 C ATOM 404 NH1 ARG A 27 -6.224 6.822 -12.815 1.00 0.00 N ATOM 405 NH2 ARG A 27 -7.336 8.372 -14.085 1.00 0.00 N ATOM 0 H ARG A 27 -9.341 3.319 -11.385 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.293 3.593 -8.631 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.131 5.821 -8.959 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -9.392 5.680 -8.800 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -10.662 5.964 -11.530 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -10.402 7.367 -10.513 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -7.958 6.789 -10.389 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -8.242 5.439 -11.470 1.00 0.00 H new ATOM 0 HE ARG A 27 -9.271 7.866 -12.633 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -6.215 6.150 -12.048 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -5.384 6.967 -13.375 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -8.183 8.898 -14.302 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -6.492 8.512 -14.641 1.00 0.00 H new ATOM 419 N ASN A 28 -11.919 2.409 -9.774 1.00 0.00 N ATOM 420 CA ASN A 28 -13.062 1.701 -10.080 1.00 0.00 C ATOM 421 C ASN A 28 -13.479 1.042 -8.792 1.00 0.00 C ATOM 422 O ASN A 28 -12.810 0.079 -8.384 1.00 0.00 O ATOM 423 CB ASN A 28 -12.641 0.665 -11.062 1.00 0.00 C ATOM 424 CG ASN A 28 -13.767 -0.050 -11.707 1.00 0.00 C ATOM 425 OD1 ASN A 28 -14.865 -0.165 -11.150 1.00 0.00 O ATOM 426 ND2 ASN A 28 -13.498 -0.612 -12.827 1.00 0.00 N ATOM 0 H ASN A 28 -11.349 1.939 -9.071 1.00 0.00 H new ATOM 0 HA ASN A 28 -13.874 2.304 -10.486 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -12.034 1.137 -11.835 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -12.005 -0.062 -10.557 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -14.204 -1.181 -13.294 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -12.578 -0.490 -13.251 1.00 0.00 H new ATOM 433 N ALA A 29 -14.480 1.493 -8.119 1.00 0.00 N ATOM 434 CA ALA A 29 -14.789 0.875 -6.849 1.00 0.00 C ATOM 435 C ALA A 29 -15.463 -0.484 -7.013 1.00 0.00 C ATOM 436 O ALA A 29 -15.620 -1.208 -6.053 1.00 0.00 O ATOM 437 CB ALA A 29 -15.569 1.803 -5.952 1.00 0.00 C ATOM 0 H ALA A 29 -15.089 2.261 -8.402 1.00 0.00 H new ATOM 0 HA ALA A 29 -13.839 0.681 -6.351 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -15.782 1.302 -5.007 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -14.984 2.703 -5.762 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -16.506 2.076 -6.437 1.00 0.00 H new ATOM 443 N ASN A 30 -15.822 -0.829 -8.244 1.00 0.00 N ATOM 444 CA ASN A 30 -16.430 -2.114 -8.540 1.00 0.00 C ATOM 445 C ASN A 30 -15.608 -2.928 -9.505 1.00 0.00 C ATOM 446 O ASN A 30 -16.150 -3.783 -10.232 1.00 0.00 O ATOM 447 CB ASN A 30 -17.829 -1.932 -9.066 1.00 0.00 C ATOM 448 CG ASN A 30 -18.800 -1.458 -7.998 1.00 0.00 C ATOM 449 OD1 ASN A 30 -18.616 -1.718 -6.816 1.00 0.00 O ATOM 450 ND2 ASN A 30 -19.849 -0.820 -8.392 1.00 0.00 N ATOM 0 H ASN A 30 -15.699 -0.227 -9.059 1.00 0.00 H new ATOM 0 HA ASN A 30 -16.472 -2.669 -7.603 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -17.814 -1.211 -9.884 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -18.183 -2.876 -9.480 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -20.548 -0.520 -7.713 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -19.979 -0.615 -9.383 1.00 0.00 H new ATOM 457 N CYS A 31 -14.301 -2.672 -9.530 1.00 0.00 N ATOM 458 CA CYS A 31 -13.361 -3.553 -10.221 1.00 0.00 C ATOM 459 C CYS A 31 -13.504 -4.787 -9.524 1.00 0.00 C ATOM 460 O CYS A 31 -13.430 -4.741 -8.258 1.00 0.00 O ATOM 461 CB CYS A 31 -11.943 -3.126 -9.919 1.00 0.00 C ATOM 462 SG CYS A 31 -10.632 -4.186 -10.579 1.00 0.00 S ATOM 0 H CYS A 31 -13.870 -1.864 -9.081 1.00 0.00 H new ATOM 0 HA CYS A 31 -13.541 -3.570 -11.296 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -11.798 -2.119 -10.309 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.825 -3.069 -8.837 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.473 -3.701 -10.247 1.00 0.00 H new ATOM 468 N SER A 32 -13.698 -5.901 -10.150 1.00 0.00 N ATOM 469 CA SER A 32 -13.795 -6.862 -9.217 1.00 0.00 C ATOM 470 C SER A 32 -12.585 -7.754 -9.144 1.00 0.00 C ATOM 471 O SER A 32 -12.445 -8.757 -9.836 1.00 0.00 O ATOM 472 CB SER A 32 -15.047 -7.713 -9.508 1.00 0.00 C ATOM 473 OG SER A 32 -15.223 -8.745 -8.552 1.00 0.00 O ATOM 0 H SER A 32 -13.777 -6.114 -11.144 1.00 0.00 H new ATOM 0 HA SER A 32 -13.869 -6.365 -8.250 1.00 0.00 H new ATOM 0 HB2 SER A 32 -15.928 -7.071 -9.515 1.00 0.00 H new ATOM 0 HB3 SER A 32 -14.964 -8.151 -10.503 1.00 0.00 H new ATOM 0 HG SER A 32 -16.027 -9.260 -8.771 1.00 0.00 H new ATOM 479 N LEU A 33 -11.664 -7.275 -8.351 1.00 0.00 N ATOM 480 CA LEU A 33 -11.026 -7.876 -7.325 1.00 0.00 C ATOM 481 C LEU A 33 -11.560 -7.059 -6.185 1.00 0.00 C ATOM 482 O LEU A 33 -11.177 -5.902 -6.126 1.00 0.00 O ATOM 483 CB LEU A 33 -9.513 -7.799 -7.334 1.00 0.00 C ATOM 484 CG LEU A 33 -8.762 -8.616 -8.273 1.00 0.00 C ATOM 485 CD1 LEU A 33 -8.335 -7.736 -9.353 1.00 0.00 C ATOM 486 CD2 LEU A 33 -7.588 -9.184 -7.540 1.00 0.00 C ATOM 0 H LEU A 33 -11.335 -6.317 -8.470 1.00 0.00 H new ATOM 0 HA LEU A 33 -11.202 -8.952 -7.318 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.240 -6.759 -7.514 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.167 -8.051 -6.332 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.348 -9.437 -8.685 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -7.765 -8.308 -10.085 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.210 -7.300 -9.835 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -7.710 -6.940 -8.948 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -7.001 -9.804 -8.218 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.967 -8.372 -7.162 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -7.939 -9.791 -6.705 1.00 0.00 H new ATOM 498 N PRO A 34 -12.531 -7.430 -5.404 1.00 0.00 N ATOM 499 CA PRO A 34 -12.783 -6.727 -4.128 1.00 0.00 C ATOM 500 C PRO A 34 -11.571 -6.607 -3.289 1.00 0.00 C ATOM 501 O PRO A 34 -11.534 -5.850 -2.395 1.00 0.00 O ATOM 502 CB PRO A 34 -13.779 -7.572 -3.498 1.00 0.00 C ATOM 503 CG PRO A 34 -14.632 -7.873 -4.678 1.00 0.00 C ATOM 504 CD PRO A 34 -13.646 -8.250 -5.749 1.00 0.00 C ATOM 0 HA PRO A 34 -13.103 -5.695 -4.274 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -13.347 -8.469 -3.055 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -14.325 -7.057 -2.708 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -15.328 -8.686 -4.471 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -15.229 -7.009 -4.970 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -13.399 -9.311 -5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -14.022 -8.033 -6.749 1.00 0.00 H new ATOM 512 N SER A 35 -10.629 -7.392 -3.587 1.00 0.00 N ATOM 513 CA SER A 35 -9.341 -7.309 -3.081 1.00 0.00 C ATOM 514 C SER A 35 -8.609 -6.024 -3.664 1.00 0.00 C ATOM 515 O SER A 35 -7.861 -5.359 -2.932 1.00 0.00 O ATOM 516 CB SER A 35 -8.705 -8.580 -3.486 1.00 0.00 C ATOM 517 OG SER A 35 -9.659 -9.616 -3.350 1.00 0.00 O ATOM 0 H SER A 35 -10.750 -8.166 -4.240 1.00 0.00 H new ATOM 0 HA SER A 35 -9.300 -7.189 -1.998 1.00 0.00 H new ATOM 0 HB2 SER A 35 -8.355 -8.518 -4.517 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.833 -8.783 -2.865 1.00 0.00 H new ATOM 0 HG SER A 35 -9.613 -9.986 -2.444 1.00 0.00 H new ATOM 523 N CYS A 36 -8.889 -5.622 -4.978 1.00 0.00 N ATOM 524 CA CYS A 36 -8.342 -4.391 -5.472 1.00 0.00 C ATOM 525 C CYS A 36 -9.042 -3.332 -4.686 1.00 0.00 C ATOM 526 O CYS A 36 -8.422 -2.480 -4.099 1.00 0.00 O ATOM 527 CB CYS A 36 -8.605 -4.085 -6.975 1.00 0.00 C ATOM 528 SG CYS A 36 -7.736 -2.627 -7.553 1.00 0.00 S ATOM 0 H CYS A 36 -9.466 -6.142 -5.639 1.00 0.00 H new ATOM 0 HA CYS A 36 -7.258 -4.442 -5.371 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -8.302 -4.944 -7.574 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -9.675 -3.950 -7.131 1.00 0.00 H new ATOM 0 HG CYS A 36 -8.000 -2.435 -8.811 1.00 0.00 H new ATOM 534 N GLN A 37 -10.414 -3.501 -4.643 1.00 0.00 N ATOM 535 CA GLN A 37 -11.390 -2.665 -3.918 1.00 0.00 C ATOM 536 C GLN A 37 -10.940 -2.403 -2.607 1.00 0.00 C ATOM 537 O GLN A 37 -10.935 -1.321 -2.191 1.00 0.00 O ATOM 538 CB GLN A 37 -12.792 -3.297 -3.824 1.00 0.00 C ATOM 539 CG GLN A 37 -13.524 -3.568 -5.179 1.00 0.00 C ATOM 540 CD GLN A 37 -14.932 -4.093 -4.989 1.00 0.00 C ATOM 541 OE1 GLN A 37 -15.592 -3.804 -3.996 1.00 0.00 O ATOM 542 NE2 GLN A 37 -15.402 -4.843 -5.954 1.00 0.00 N ATOM 0 H GLN A 37 -10.867 -4.266 -5.143 1.00 0.00 H new ATOM 0 HA GLN A 37 -11.472 -1.746 -4.498 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.706 -4.242 -3.287 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.422 -2.644 -3.220 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -13.560 -2.645 -5.758 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.948 -4.288 -5.761 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -14.819 -5.059 -6.762 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -16.351 -5.211 -5.897 1.00 0.00 H new ATOM 551 N LYS A 38 -10.569 -3.387 -2.007 1.00 0.00 N ATOM 552 CA LYS A 38 -10.121 -3.384 -0.737 1.00 0.00 C ATOM 553 C LYS A 38 -8.919 -2.469 -0.483 1.00 0.00 C ATOM 554 O LYS A 38 -8.949 -1.631 0.387 1.00 0.00 O ATOM 555 CB LYS A 38 -9.785 -4.729 -0.454 1.00 0.00 C ATOM 556 CG LYS A 38 -8.843 -4.846 0.584 1.00 0.00 C ATOM 557 CD LYS A 38 -9.122 -5.940 1.440 1.00 0.00 C ATOM 558 CE LYS A 38 -9.175 -7.240 0.702 1.00 0.00 C ATOM 559 NZ LYS A 38 -9.448 -8.387 1.588 1.00 0.00 N ATOM 0 H LYS A 38 -10.567 -4.316 -2.428 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.898 -2.983 -0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -10.688 -5.276 -0.183 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.387 -5.197 -1.354 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.847 -4.966 0.157 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.831 -3.925 1.167 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.358 -5.996 2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.074 -5.771 1.943 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.948 -7.186 -0.065 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.227 -7.400 0.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.724 -9.210 1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.592 -8.616 2.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.220 -8.145 2.241 1.00 0.00 H new ATOM 573 N MET A 39 -7.871 -2.681 -1.240 1.00 0.00 N ATOM 574 CA MET A 39 -6.630 -1.925 -1.085 1.00 0.00 C ATOM 575 C MET A 39 -6.886 -0.489 -1.399 1.00 0.00 C ATOM 576 O MET A 39 -6.345 0.430 -0.821 1.00 0.00 O ATOM 577 CB MET A 39 -5.612 -2.407 -2.085 1.00 0.00 C ATOM 578 CG MET A 39 -4.838 -3.593 -1.697 1.00 0.00 C ATOM 579 SD MET A 39 -3.263 -3.249 -0.866 1.00 0.00 S ATOM 580 CE MET A 39 -3.735 -2.068 0.352 1.00 0.00 C ATOM 0 H MET A 39 -7.843 -3.379 -1.983 1.00 0.00 H new ATOM 0 HA MET A 39 -6.271 -2.055 -0.064 1.00 0.00 H new ATOM 0 HB2 MET A 39 -6.126 -2.624 -3.021 1.00 0.00 H new ATOM 0 HB3 MET A 39 -4.915 -1.593 -2.285 1.00 0.00 H new ATOM 0 HG2 MET A 39 -5.451 -4.208 -1.038 1.00 0.00 H new ATOM 0 HG3 MET A 39 -4.638 -4.185 -2.590 1.00 0.00 H new ATOM 0 HE1 MET A 39 -2.852 -1.734 0.896 1.00 0.00 H new ATOM 0 HE2 MET A 39 -4.207 -1.214 -0.133 1.00 0.00 H new ATOM 0 HE3 MET A 39 -4.439 -2.525 1.048 1.00 0.00 H new ATOM 590 N LYS A 40 -7.680 -0.376 -2.365 1.00 0.00 N ATOM 591 CA LYS A 40 -8.186 0.808 -2.954 1.00 0.00 C ATOM 592 C LYS A 40 -8.928 1.549 -1.895 1.00 0.00 C ATOM 593 O LYS A 40 -8.634 2.638 -1.612 1.00 0.00 O ATOM 594 CB LYS A 40 -9.131 0.315 -3.979 1.00 0.00 C ATOM 595 CG LYS A 40 -9.110 0.911 -5.285 1.00 0.00 C ATOM 596 CD LYS A 40 -10.056 0.164 -6.183 1.00 0.00 C ATOM 597 CE LYS A 40 -9.472 0.074 -7.548 1.00 0.00 C ATOM 598 NZ LYS A 40 -10.306 -0.665 -8.498 1.00 0.00 N ATOM 0 H LYS A 40 -8.047 -1.205 -2.832 1.00 0.00 H new ATOM 0 HA LYS A 40 -7.425 1.464 -3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -8.956 -0.754 -4.102 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.139 0.430 -3.580 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -9.399 1.960 -5.224 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -8.101 0.882 -5.695 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.239 -0.835 -5.787 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.019 0.673 -6.220 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.307 1.081 -7.930 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.496 -0.407 -7.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -9.889 -0.601 -9.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -10.360 -1.663 -8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.262 -0.256 -8.511 1.00 0.00 H new ATOM 612 N ARG A 41 -9.754 0.795 -1.195 1.00 0.00 N ATOM 613 CA ARG A 41 -10.610 1.207 -0.064 1.00 0.00 C ATOM 614 C ARG A 41 -9.800 1.491 1.048 1.00 0.00 C ATOM 615 O ARG A 41 -10.269 1.957 2.015 1.00 0.00 O ATOM 616 CB ARG A 41 -11.490 0.099 0.348 1.00 0.00 C ATOM 617 CG ARG A 41 -12.830 0.076 -0.339 1.00 0.00 C ATOM 618 CD ARG A 41 -13.710 -0.897 0.345 1.00 0.00 C ATOM 619 NE ARG A 41 -15.005 -1.086 -0.331 1.00 0.00 N ATOM 620 CZ ARG A 41 -16.110 -1.573 0.251 1.00 0.00 C ATOM 621 NH1 ARG A 41 -16.088 -1.920 1.537 1.00 0.00 N ATOM 622 NH2 ARG A 41 -17.225 -1.733 -0.460 1.00 0.00 N ATOM 0 H ARG A 41 -9.863 -0.197 -1.406 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.193 2.071 -0.383 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -10.980 -0.845 0.153 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.649 0.159 1.425 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.280 1.069 -0.318 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.710 -0.198 -1.387 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.198 -1.857 0.409 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.887 -0.561 1.367 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.065 -0.827 -1.316 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.230 -1.815 2.079 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -16.929 -2.291 1.980 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.239 -1.485 -1.449 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.065 -2.104 -0.015 1.00 0.00 H new ATOM 636 N VAL A 42 -8.595 1.081 0.950 1.00 0.00 N ATOM 637 CA VAL A 42 -7.677 1.296 1.872 1.00 0.00 C ATOM 638 C VAL A 42 -6.910 2.568 1.711 1.00 0.00 C ATOM 639 O VAL A 42 -6.747 3.323 2.680 1.00 0.00 O ATOM 640 CB VAL A 42 -7.036 0.058 2.396 1.00 0.00 C ATOM 641 CG1 VAL A 42 -5.579 0.261 2.586 1.00 0.00 C ATOM 642 CG2 VAL A 42 -7.734 -0.165 3.682 1.00 0.00 C ATOM 0 H VAL A 42 -8.251 0.554 0.147 1.00 0.00 H new ATOM 0 HA VAL A 42 -8.179 1.586 2.795 1.00 0.00 H new ATOM 0 HB VAL A 42 -7.120 -0.795 1.723 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -5.131 -0.656 2.969 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -5.120 0.518 1.631 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -5.414 1.070 3.297 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -7.338 -1.061 4.160 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -7.578 0.694 4.334 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -8.801 -0.293 3.499 1.00 0.00 H new ATOM 652 N VAL A 43 -6.520 2.842 0.473 1.00 0.00 N ATOM 653 CA VAL A 43 -6.112 4.121 0.048 1.00 0.00 C ATOM 654 C VAL A 43 -7.185 5.061 0.438 1.00 0.00 C ATOM 655 O VAL A 43 -6.994 5.993 1.189 1.00 0.00 O ATOM 656 CB VAL A 43 -5.957 4.104 -1.490 1.00 0.00 C ATOM 657 CG1 VAL A 43 -5.734 5.462 -2.012 1.00 0.00 C ATOM 658 CG2 VAL A 43 -4.829 3.140 -1.963 1.00 0.00 C ATOM 0 H VAL A 43 -6.488 2.140 -0.266 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.162 4.416 0.494 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.894 3.724 -1.897 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -5.628 5.422 -3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -6.583 6.095 -1.753 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -4.826 5.876 -1.574 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.761 3.165 -3.051 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.878 3.454 -1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.057 2.125 -1.637 1.00 0.00 H new ATOM 668 N GLN A 44 -8.317 4.691 0.056 1.00 0.00 N ATOM 669 CA GLN A 44 -9.472 5.430 0.237 1.00 0.00 C ATOM 670 C GLN A 44 -9.903 5.457 1.731 1.00 0.00 C ATOM 671 O GLN A 44 -10.537 6.430 2.186 1.00 0.00 O ATOM 672 CB GLN A 44 -10.514 4.857 -0.698 1.00 0.00 C ATOM 673 CG GLN A 44 -10.078 5.007 -2.167 1.00 0.00 C ATOM 674 CD GLN A 44 -10.089 6.427 -2.667 1.00 0.00 C ATOM 675 OE1 GLN A 44 -11.105 6.927 -3.122 1.00 0.00 O ATOM 676 NE2 GLN A 44 -8.961 7.070 -2.642 1.00 0.00 N ATOM 0 H GLN A 44 -8.475 3.805 -0.424 1.00 0.00 H new ATOM 0 HA GLN A 44 -9.319 6.480 -0.011 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.674 3.804 -0.468 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.466 5.365 -0.543 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -9.073 4.601 -2.280 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.737 4.407 -2.794 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -8.129 6.625 -2.255 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -8.907 8.020 -3.009 1.00 0.00 H new ATOM 685 N HIS A 45 -9.464 4.436 2.507 1.00 0.00 N ATOM 686 CA HIS A 45 -9.847 4.323 3.935 1.00 0.00 C ATOM 687 C HIS A 45 -9.156 5.292 4.658 1.00 0.00 C ATOM 688 O HIS A 45 -9.755 6.004 5.414 1.00 0.00 O ATOM 689 CB HIS A 45 -9.606 2.958 4.606 1.00 0.00 C ATOM 690 CG HIS A 45 -10.156 2.819 6.005 1.00 0.00 C ATOM 691 ND1 HIS A 45 -9.399 2.969 7.145 1.00 0.00 N ATOM 692 CD2 HIS A 45 -11.399 2.498 6.429 1.00 0.00 C ATOM 693 CE1 HIS A 45 -10.151 2.739 8.201 1.00 0.00 C ATOM 694 NE2 HIS A 45 -11.366 2.454 7.792 1.00 0.00 N ATOM 0 H HIS A 45 -8.854 3.690 2.174 1.00 0.00 H new ATOM 0 HA HIS A 45 -10.928 4.459 3.945 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -10.048 2.182 3.981 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -8.533 2.771 4.635 1.00 0.00 H new ATOM 0 HD1 HIS A 45 -8.410 3.219 7.168 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -12.260 2.311 5.804 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -9.824 2.778 9.230 1.00 0.00 H new ATOM 703 N THR A 46 -7.879 5.298 4.453 1.00 0.00 N ATOM 704 CA THR A 46 -7.060 6.244 5.069 1.00 0.00 C ATOM 705 C THR A 46 -7.620 7.607 4.808 1.00 0.00 C ATOM 706 O THR A 46 -8.025 8.233 5.705 1.00 0.00 O ATOM 707 CB THR A 46 -5.517 6.128 4.658 1.00 0.00 C ATOM 708 OG1 THR A 46 -4.657 6.619 5.671 1.00 0.00 O ATOM 709 CG2 THR A 46 -5.127 6.881 3.434 1.00 0.00 C ATOM 0 H THR A 46 -7.390 4.638 3.849 1.00 0.00 H new ATOM 0 HA THR A 46 -7.063 6.047 6.141 1.00 0.00 H new ATOM 0 HB THR A 46 -5.407 5.057 4.485 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.725 6.528 5.381 1.00 0.00 H new ATOM 0 HG21 THR A 46 -4.064 6.737 3.242 1.00 0.00 H new ATOM 0 HG22 THR A 46 -5.702 6.515 2.583 1.00 0.00 H new ATOM 0 HG23 THR A 46 -5.329 7.942 3.580 1.00 0.00 H new ATOM 717 N LYS A 47 -7.828 7.958 3.579 1.00 0.00 N ATOM 718 CA LYS A 47 -8.029 9.338 3.223 1.00 0.00 C ATOM 719 C LYS A 47 -9.282 9.926 3.822 1.00 0.00 C ATOM 720 O LYS A 47 -9.273 11.073 4.284 1.00 0.00 O ATOM 721 CB LYS A 47 -8.147 9.454 1.786 1.00 0.00 C ATOM 722 CG LYS A 47 -7.023 8.809 0.997 1.00 0.00 C ATOM 723 CD LYS A 47 -7.208 9.017 -0.472 1.00 0.00 C ATOM 724 CE LYS A 47 -6.450 10.220 -0.872 1.00 0.00 C ATOM 725 NZ LYS A 47 -6.870 10.756 -2.198 1.00 0.00 N ATOM 0 H LYS A 47 -7.864 7.307 2.795 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.168 9.882 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -9.091 9.006 1.477 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -8.194 10.511 1.524 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.067 9.230 1.309 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.988 7.742 1.215 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.857 8.146 -1.025 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -8.265 9.139 -0.707 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.580 10.994 -0.115 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -5.387 9.980 -0.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -6.305 11.599 -2.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.721 10.031 -2.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.877 11.013 -2.165 1.00 0.00 H new ATOM 739 N GLY A 48 -10.351 9.153 3.813 1.00 0.00 N ATOM 740 CA GLY A 48 -11.571 9.644 4.379 1.00 0.00 C ATOM 741 C GLY A 48 -11.545 9.502 5.874 1.00 0.00 C ATOM 742 O GLY A 48 -12.451 9.966 6.578 1.00 0.00 O ATOM 0 H GLY A 48 -10.392 8.209 3.429 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.710 10.691 4.108 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -12.418 9.093 3.969 1.00 0.00 H new ATOM 746 N CYS A 49 -10.525 8.844 6.362 1.00 0.00 N ATOM 747 CA CYS A 49 -10.364 8.665 7.772 1.00 0.00 C ATOM 748 C CYS A 49 -9.402 9.716 8.334 1.00 0.00 C ATOM 749 O CYS A 49 -8.414 9.951 7.727 1.00 0.00 O ATOM 750 CB CYS A 49 -9.947 7.179 8.155 1.00 0.00 C ATOM 751 SG CYS A 49 -11.332 6.014 8.064 1.00 0.00 S ATOM 0 H CYS A 49 -9.791 8.422 5.794 1.00 0.00 H new ATOM 0 HA CYS A 49 -11.335 8.819 8.244 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -9.153 6.846 7.486 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.537 7.171 9.165 1.00 0.00 H new ATOM 0 HG CYS A 49 -11.330 5.427 6.904 1.00 0.00 H new ATOM 757 N LYS A 50 -9.805 10.393 9.425 1.00 0.00 N ATOM 758 CA LYS A 50 -8.970 11.377 10.071 1.00 0.00 C ATOM 759 C LYS A 50 -8.291 10.692 11.232 1.00 0.00 C ATOM 760 O LYS A 50 -7.319 11.191 11.792 1.00 0.00 O ATOM 761 CB LYS A 50 -9.832 12.570 10.559 1.00 0.00 C ATOM 762 CG LYS A 50 -9.042 13.803 11.044 1.00 0.00 C ATOM 763 CD LYS A 50 -8.241 14.487 9.919 1.00 0.00 C ATOM 764 CE LYS A 50 -7.556 15.800 10.322 1.00 0.00 C ATOM 765 NZ LYS A 50 -6.511 15.550 11.341 1.00 0.00 N ATOM 0 H LYS A 50 -10.715 10.262 9.868 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.227 11.775 9.380 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -10.489 12.878 9.746 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -10.471 12.226 11.372 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.735 14.523 11.479 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.358 13.500 11.837 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.481 13.793 9.560 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.912 14.686 9.083 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -7.111 16.269 9.444 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.296 16.497 10.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -6.058 16.449 11.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -6.944 15.123 12.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -5.796 14.902 10.953 1.00 0.00 H new ATOM 779 N ARG A 51 -8.758 9.440 11.558 1.00 0.00 N ATOM 780 CA ARG A 51 -8.340 8.613 12.538 1.00 0.00 C ATOM 781 C ARG A 51 -7.157 7.822 12.073 1.00 0.00 C ATOM 782 O ARG A 51 -6.575 7.096 12.876 1.00 0.00 O ATOM 783 CB ARG A 51 -9.420 7.764 13.188 1.00 0.00 C ATOM 784 CG ARG A 51 -10.607 8.533 13.761 1.00 0.00 C ATOM 785 CD ARG A 51 -10.259 9.417 14.948 1.00 0.00 C ATOM 786 NE ARG A 51 -11.421 10.203 15.379 1.00 0.00 N ATOM 787 CZ ARG A 51 -11.616 10.668 16.620 1.00 0.00 C ATOM 788 NH1 ARG A 51 -10.862 10.234 17.628 1.00 0.00 N ATOM 789 NH2 ARG A 51 -12.614 11.515 16.860 1.00 0.00 N ATOM 0 H ARG A 51 -9.522 9.022 11.027 1.00 0.00 H new ATOM 0 HA ARG A 51 -8.028 9.254 13.363 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -9.792 7.054 12.450 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -8.966 7.182 13.990 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -11.039 9.152 12.975 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -11.375 7.821 14.064 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -9.907 8.800 15.774 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -9.442 10.087 14.680 1.00 0.00 H new ATOM 0 HE ARG A 51 -12.134 10.411 14.680 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -10.131 9.544 17.457 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -11.016 10.592 18.571 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -13.228 11.808 16.100 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -12.765 11.871 17.804 1.00 0.00 H new ATOM 803 N LYS A 52 -6.791 8.021 10.761 1.00 0.00 N ATOM 804 CA LYS A 52 -5.810 7.244 10.087 1.00 0.00 C ATOM 805 C LYS A 52 -4.641 6.986 10.945 1.00 0.00 C ATOM 806 O LYS A 52 -4.435 5.906 11.384 1.00 0.00 O ATOM 807 CB LYS A 52 -5.210 8.063 8.958 1.00 0.00 C ATOM 808 CG LYS A 52 -5.993 8.429 7.830 1.00 0.00 C ATOM 809 CD LYS A 52 -5.157 9.421 7.038 1.00 0.00 C ATOM 810 CE LYS A 52 -5.675 9.701 5.757 1.00 0.00 C ATOM 811 NZ LYS A 52 -4.934 10.777 5.102 1.00 0.00 N ATOM 0 H LYS A 52 -7.203 8.748 10.176 1.00 0.00 H new ATOM 0 HA LYS A 52 -6.311 6.329 9.772 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -4.831 8.985 9.398 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.348 7.510 8.584 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.237 7.555 7.225 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -6.938 8.876 8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.082 10.351 7.601 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -4.145 9.029 6.934 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -5.633 8.802 5.142 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -6.725 9.980 5.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -5.430 11.061 4.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -4.866 11.592 5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.978 10.444 4.862 1.00 0.00 H new ATOM 825 N THR A 53 -3.864 7.955 11.176 1.00 0.00 N ATOM 826 CA THR A 53 -2.944 7.880 12.094 1.00 0.00 C ATOM 827 C THR A 53 -3.382 8.454 13.462 1.00 0.00 C ATOM 828 O THR A 53 -2.893 8.016 14.498 1.00 0.00 O ATOM 829 CB THR A 53 -1.590 8.260 11.524 1.00 0.00 C ATOM 830 OG1 THR A 53 -1.712 9.521 10.830 1.00 0.00 O ATOM 831 CG2 THR A 53 -1.196 7.150 10.507 1.00 0.00 C ATOM 0 H THR A 53 -3.895 8.844 10.678 1.00 0.00 H new ATOM 0 HA THR A 53 -2.795 6.843 12.394 1.00 0.00 H new ATOM 0 HB THR A 53 -0.840 8.354 12.310 1.00 0.00 H new ATOM 0 HG1 THR A 53 -0.841 9.776 10.459 1.00 0.00 H new ATOM 0 HG21 THR A 53 -0.225 7.384 10.071 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.142 6.190 11.020 1.00 0.00 H new ATOM 0 HG23 THR A 53 -1.945 7.098 9.717 1.00 0.00 H new ATOM 839 N ASN A 54 -4.387 9.436 13.466 1.00 0.00 N ATOM 840 CA ASN A 54 -4.686 10.182 14.712 1.00 0.00 C ATOM 841 C ASN A 54 -5.340 9.311 15.789 1.00 0.00 C ATOM 842 O ASN A 54 -5.119 9.503 16.987 1.00 0.00 O ATOM 843 CB ASN A 54 -5.539 11.413 14.404 1.00 0.00 C ATOM 844 CG ASN A 54 -5.789 12.322 15.602 1.00 0.00 C ATOM 845 OD1 ASN A 54 -4.981 12.396 16.524 1.00 0.00 O ATOM 846 ND2 ASN A 54 -6.864 13.066 15.559 1.00 0.00 N ATOM 0 H ASN A 54 -4.953 9.694 12.658 1.00 0.00 H new ATOM 0 HA ASN A 54 -3.731 10.507 15.125 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.050 11.992 13.620 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.499 11.084 14.006 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -7.052 13.734 16.307 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -7.514 12.978 14.778 1.00 0.00 H new ATOM 853 N GLY A 55 -6.102 8.338 15.372 1.00 0.00 N ATOM 854 CA GLY A 55 -6.769 7.467 16.319 1.00 0.00 C ATOM 855 C GLY A 55 -6.063 6.143 16.423 1.00 0.00 C ATOM 856 O GLY A 55 -6.509 5.236 17.126 1.00 0.00 O ATOM 0 H GLY A 55 -6.280 8.123 14.391 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -6.800 7.945 17.298 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -7.802 7.309 16.008 1.00 0.00 H new ATOM 860 N GLY A 56 -4.936 6.047 15.748 1.00 0.00 N ATOM 861 CA GLY A 56 -4.201 4.839 15.717 1.00 0.00 C ATOM 862 C GLY A 56 -4.797 3.857 14.838 1.00 0.00 C ATOM 863 O GLY A 56 -4.929 2.689 15.204 1.00 0.00 O ATOM 0 H GLY A 56 -4.521 6.811 15.214 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -3.182 5.045 15.390 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -4.136 4.430 16.725 1.00 0.00 H new ATOM 867 N CYS A 57 -5.176 4.284 13.688 1.00 0.00 N ATOM 868 CA CYS A 57 -5.627 3.355 12.771 1.00 0.00 C ATOM 869 C CYS A 57 -4.349 2.750 12.124 1.00 0.00 C ATOM 870 O CYS A 57 -3.435 3.449 11.885 1.00 0.00 O ATOM 871 CB CYS A 57 -6.675 3.978 11.703 1.00 0.00 C ATOM 872 SG CYS A 57 -7.468 2.797 10.588 1.00 0.00 S ATOM 0 H CYS A 57 -5.176 5.257 13.381 1.00 0.00 H new ATOM 0 HA CYS A 57 -6.214 2.573 13.252 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -7.453 4.506 12.254 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -6.151 4.720 11.101 1.00 0.00 H new ATOM 0 HG CYS A 57 -6.563 2.041 10.042 1.00 0.00 H new ATOM 878 N PRO A 58 -4.345 1.434 11.866 1.00 0.00 N ATOM 879 CA PRO A 58 -3.395 0.549 11.149 1.00 0.00 C ATOM 880 C PRO A 58 -3.795 0.819 9.777 1.00 0.00 C ATOM 881 O PRO A 58 -3.967 1.883 9.591 1.00 0.00 O ATOM 882 CB PRO A 58 -3.612 -0.745 11.652 1.00 0.00 C ATOM 883 CG PRO A 58 -5.037 -0.821 11.449 1.00 0.00 C ATOM 884 CD PRO A 58 -5.561 0.500 12.052 1.00 0.00 C ATOM 0 HA PRO A 58 -2.319 0.688 11.252 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -3.065 -1.510 11.100 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -3.329 -0.844 12.700 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -5.287 -0.906 10.392 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -5.467 -1.689 11.949 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -6.443 0.868 11.528 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -5.836 0.390 13.101 1.00 0.00 H new ATOM 892 N ILE A 59 -3.637 -0.008 8.798 1.00 0.00 N ATOM 893 CA ILE A 59 -3.523 0.167 7.380 1.00 0.00 C ATOM 894 C ILE A 59 -3.930 1.531 6.682 1.00 0.00 C ATOM 895 O ILE A 59 -3.867 1.616 5.556 1.00 0.00 O ATOM 896 CB ILE A 59 -4.699 -0.765 6.867 1.00 0.00 C ATOM 897 CG1 ILE A 59 -4.251 -1.439 5.591 1.00 0.00 C ATOM 898 CG2 ILE A 59 -6.093 -0.046 6.775 1.00 0.00 C ATOM 899 CD1 ILE A 59 -5.264 -2.237 4.949 1.00 0.00 C ATOM 0 H ILE A 59 -3.574 -1.003 9.016 1.00 0.00 H new ATOM 0 HA ILE A 59 -2.466 0.019 7.159 1.00 0.00 H new ATOM 0 HB ILE A 59 -4.893 -1.536 7.613 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -3.911 -0.675 4.892 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -3.393 -2.073 5.812 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.843 -0.751 6.416 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -6.380 0.319 7.761 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -6.024 0.794 6.083 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.856 -2.683 4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -5.589 -3.026 5.627 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -6.115 -1.606 4.692 1.00 0.00 H new ATOM 911 N CYS A 60 -4.434 2.452 7.373 1.00 0.00 N ATOM 912 CA CYS A 60 -4.265 3.866 7.035 1.00 0.00 C ATOM 913 C CYS A 60 -2.794 4.175 7.357 1.00 0.00 C ATOM 914 O CYS A 60 -2.082 4.774 6.570 1.00 0.00 O ATOM 915 CB CYS A 60 -5.070 4.807 7.944 1.00 0.00 C ATOM 916 SG CYS A 60 -6.857 4.586 7.904 1.00 0.00 S ATOM 0 H CYS A 60 -4.992 2.288 8.211 1.00 0.00 H new ATOM 0 HA CYS A 60 -4.582 4.018 6.003 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -4.728 4.672 8.970 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -4.843 5.836 7.665 1.00 0.00 H new ATOM 0 HG CYS A 60 -7.250 4.029 9.011 1.00 0.00 H new ATOM 922 N LYS A 61 -2.387 3.757 8.569 1.00 0.00 N ATOM 923 CA LYS A 61 -1.045 3.846 9.065 1.00 0.00 C ATOM 924 C LYS A 61 -0.275 2.848 8.424 1.00 0.00 C ATOM 925 O LYS A 61 0.821 3.115 7.996 1.00 0.00 O ATOM 926 CB LYS A 61 -1.018 3.568 10.500 1.00 0.00 C ATOM 927 CG LYS A 61 0.266 3.805 11.155 1.00 0.00 C ATOM 928 CD LYS A 61 0.302 3.027 12.410 1.00 0.00 C ATOM 929 CE LYS A 61 -0.973 3.107 13.279 1.00 0.00 C ATOM 930 NZ LYS A 61 -0.702 2.678 14.665 1.00 0.00 N ATOM 0 H LYS A 61 -3.028 3.334 9.240 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.655 4.846 8.875 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -1.775 4.182 10.987 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -1.302 2.527 10.658 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.086 3.507 10.501 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.395 4.867 11.364 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.488 1.982 12.164 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.148 3.370 13.005 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.352 4.129 13.279 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -1.751 2.478 12.846 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -1.576 2.742 15.225 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.363 1.695 14.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.024 3.294 15.084 1.00 0.00 H new ATOM 944 N GLN A 62 -0.832 1.659 8.307 1.00 0.00 N ATOM 945 CA GLN A 62 -0.059 0.655 7.636 1.00 0.00 C ATOM 946 C GLN A 62 0.016 0.886 6.144 1.00 0.00 C ATOM 947 O GLN A 62 0.845 0.348 5.492 1.00 0.00 O ATOM 948 CB GLN A 62 -0.303 -0.770 8.105 1.00 0.00 C ATOM 949 CG GLN A 62 -0.104 -0.898 9.607 1.00 0.00 C ATOM 950 CD GLN A 62 0.627 -2.156 9.986 1.00 0.00 C ATOM 951 OE1 GLN A 62 0.027 -3.191 10.236 1.00 0.00 O ATOM 952 NE2 GLN A 62 1.927 -2.073 10.046 1.00 0.00 N ATOM 0 H GLN A 62 -1.754 1.383 8.645 1.00 0.00 H new ATOM 0 HA GLN A 62 0.970 0.789 7.969 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -1.317 -1.073 7.843 1.00 0.00 H new ATOM 0 HB3 GLN A 62 0.376 -1.447 7.587 1.00 0.00 H new ATOM 0 HG2 GLN A 62 0.453 -0.035 9.971 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -1.075 -0.883 10.101 1.00 0.00 H new ATOM 0 HE21 GLN A 62 2.392 -1.191 9.830 1.00 0.00 H new ATOM 0 HE22 GLN A 62 2.479 -2.890 10.309 1.00 0.00 H new ATOM 961 N LEU A 63 -0.861 1.731 5.655 1.00 0.00 N ATOM 962 CA LEU A 63 -0.796 2.277 4.311 1.00 0.00 C ATOM 963 C LEU A 63 0.166 3.411 4.224 1.00 0.00 C ATOM 964 O LEU A 63 0.863 3.434 3.349 1.00 0.00 O ATOM 965 CB LEU A 63 -2.108 2.686 3.887 1.00 0.00 C ATOM 966 CG LEU A 63 -2.281 3.625 2.814 1.00 0.00 C ATOM 967 CD1 LEU A 63 -1.654 3.109 1.596 1.00 0.00 C ATOM 968 CD2 LEU A 63 -3.683 3.695 2.604 1.00 0.00 C ATOM 0 H LEU A 63 -1.661 2.069 6.190 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.433 1.496 3.643 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -2.650 1.782 3.610 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -2.610 3.103 4.760 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.837 4.592 3.049 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.789 3.826 0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -0.589 2.956 1.772 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.117 2.161 1.322 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.895 4.395 1.796 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -4.061 2.708 2.337 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.171 4.036 3.517 1.00 0.00 H new ATOM 980 N ILE A 64 0.147 4.398 5.110 1.00 0.00 N ATOM 981 CA ILE A 64 1.243 5.384 5.146 1.00 0.00 C ATOM 982 C ILE A 64 2.553 4.647 5.214 1.00 0.00 C ATOM 983 O ILE A 64 3.479 4.991 4.550 1.00 0.00 O ATOM 984 CB ILE A 64 1.134 6.327 6.378 1.00 0.00 C ATOM 985 CG1 ILE A 64 0.107 7.454 6.205 1.00 0.00 C ATOM 986 CG2 ILE A 64 2.475 6.739 6.996 1.00 0.00 C ATOM 987 CD1 ILE A 64 0.104 8.497 7.303 1.00 0.00 C ATOM 0 H ILE A 64 -0.590 4.544 5.800 1.00 0.00 H new ATOM 0 HA ILE A 64 1.179 5.995 4.246 1.00 0.00 H new ATOM 0 HB ILE A 64 0.703 5.706 7.163 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.294 7.952 5.253 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -0.887 7.012 6.143 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.297 7.395 7.848 1.00 0.00 H new ATOM 0 HG22 ILE A 64 3.011 5.850 7.329 1.00 0.00 H new ATOM 0 HG23 ILE A 64 3.072 7.265 6.251 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.656 9.249 7.089 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.117 8.020 8.258 1.00 0.00 H new ATOM 0 HD13 ILE A 64 1.083 8.974 7.354 1.00 0.00 H new ATOM 999 N ALA A 65 2.584 3.648 6.028 1.00 0.00 N ATOM 1000 CA ALA A 65 3.705 2.799 6.141 1.00 0.00 C ATOM 1001 C ALA A 65 4.012 2.227 4.786 1.00 0.00 C ATOM 1002 O ALA A 65 5.071 2.394 4.248 1.00 0.00 O ATOM 1003 CB ALA A 65 3.379 1.684 7.062 1.00 0.00 C ATOM 0 H ALA A 65 1.810 3.399 6.644 1.00 0.00 H new ATOM 0 HA ALA A 65 4.559 3.359 6.521 1.00 0.00 H new ATOM 0 HB1 ALA A 65 4.241 1.024 7.154 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.123 2.085 8.043 1.00 0.00 H new ATOM 0 HB3 ALA A 65 2.532 1.122 6.668 1.00 0.00 H new ATOM 1009 N LEU A 66 3.039 1.616 4.246 1.00 0.00 N ATOM 1010 CA LEU A 66 3.105 1.041 2.986 1.00 0.00 C ATOM 1011 C LEU A 66 3.472 2.065 1.837 1.00 0.00 C ATOM 1012 O LEU A 66 4.498 1.932 1.166 1.00 0.00 O ATOM 1013 CB LEU A 66 1.805 0.316 2.750 1.00 0.00 C ATOM 1014 CG LEU A 66 1.533 -0.028 1.350 1.00 0.00 C ATOM 1015 CD1 LEU A 66 2.448 -1.012 0.970 1.00 0.00 C ATOM 1016 CD2 LEU A 66 0.183 -0.520 1.083 1.00 0.00 C ATOM 0 H LEU A 66 2.133 1.502 4.700 1.00 0.00 H new ATOM 0 HA LEU A 66 3.933 0.332 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.805 -0.600 3.340 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.988 0.935 3.122 1.00 0.00 H new ATOM 0 HG LEU A 66 1.628 0.895 0.778 1.00 0.00 H new ATOM 0 HD11 LEU A 66 2.272 -1.291 -0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 66 3.462 -0.626 1.076 1.00 0.00 H new ATOM 0 HD13 LEU A 66 2.325 -1.888 1.606 1.00 0.00 H new ATOM 0 HD21 LEU A 66 0.082 -0.746 0.022 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.003 -1.424 1.666 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -0.544 0.243 1.362 1.00 0.00 H new ATOM 1028 N ALA A 67 2.643 3.049 1.663 1.00 0.00 N ATOM 1029 CA ALA A 67 2.754 4.071 0.704 1.00 0.00 C ATOM 1030 C ALA A 67 4.058 4.872 0.837 1.00 0.00 C ATOM 1031 O ALA A 67 4.784 5.027 -0.137 1.00 0.00 O ATOM 1032 CB ALA A 67 1.510 4.972 0.773 1.00 0.00 C ATOM 0 H ALA A 67 1.810 3.153 2.242 1.00 0.00 H new ATOM 0 HA ALA A 67 2.801 3.610 -0.282 1.00 0.00 H new ATOM 0 HB1 ALA A 67 1.594 5.765 0.030 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.619 4.378 0.571 1.00 0.00 H new ATOM 0 HB3 ALA A 67 1.434 5.412 1.767 1.00 0.00 H new ATOM 1038 N ALA A 68 4.352 5.358 2.036 1.00 0.00 N ATOM 1039 CA ALA A 68 5.546 6.221 2.282 1.00 0.00 C ATOM 1040 C ALA A 68 6.837 5.529 2.198 1.00 0.00 C ATOM 1041 O ALA A 68 7.814 6.068 1.699 1.00 0.00 O ATOM 1042 CB ALA A 68 5.515 6.889 3.600 1.00 0.00 C ATOM 0 H ALA A 68 3.790 5.180 2.869 1.00 0.00 H new ATOM 0 HA ALA A 68 5.474 6.945 1.470 1.00 0.00 H new ATOM 0 HB1 ALA A 68 6.409 7.501 3.719 1.00 0.00 H new ATOM 0 HB2 ALA A 68 4.630 7.522 3.666 1.00 0.00 H new ATOM 0 HB3 ALA A 68 5.483 6.137 4.388 1.00 0.00 H new ATOM 1048 N TYR A 69 6.891 4.380 2.727 1.00 0.00 N ATOM 1049 CA TYR A 69 8.055 3.647 2.720 1.00 0.00 C ATOM 1050 C TYR A 69 8.279 3.076 1.331 1.00 0.00 C ATOM 1051 O TYR A 69 9.376 2.663 0.967 1.00 0.00 O ATOM 1052 CB TYR A 69 7.938 2.657 3.818 1.00 0.00 C ATOM 1053 CG TYR A 69 7.900 3.291 5.220 1.00 0.00 C ATOM 1054 CD1 TYR A 69 8.634 4.427 5.520 1.00 0.00 C ATOM 1055 CD2 TYR A 69 7.139 2.745 6.227 1.00 0.00 C ATOM 1056 CE1 TYR A 69 8.608 4.992 6.770 1.00 0.00 C ATOM 1057 CE2 TYR A 69 7.103 3.309 7.484 1.00 0.00 C ATOM 1058 CZ TYR A 69 7.839 4.431 7.746 1.00 0.00 C ATOM 1059 OH TYR A 69 7.814 4.989 9.001 1.00 0.00 O ATOM 0 H TYR A 69 6.103 3.922 3.185 1.00 0.00 H new ATOM 0 HA TYR A 69 8.951 4.236 2.915 1.00 0.00 H new ATOM 0 HB2 TYR A 69 7.032 2.069 3.670 1.00 0.00 H new ATOM 0 HB3 TYR A 69 8.779 1.966 3.764 1.00 0.00 H new ATOM 0 HD1 TYR A 69 9.242 4.879 4.750 1.00 0.00 H new ATOM 0 HD2 TYR A 69 6.558 1.856 6.029 1.00 0.00 H new ATOM 0 HE1 TYR A 69 9.193 5.875 6.979 1.00 0.00 H new ATOM 0 HE2 TYR A 69 6.495 2.866 8.259 1.00 0.00 H new ATOM 0 HH TYR A 69 7.216 4.469 9.578 1.00 0.00 H new ATOM 1069 N HIS A 70 7.224 3.099 0.556 1.00 0.00 N ATOM 1070 CA HIS A 70 7.331 2.833 -0.887 1.00 0.00 C ATOM 1071 C HIS A 70 7.885 4.049 -1.559 1.00 0.00 C ATOM 1072 O HIS A 70 8.761 3.953 -2.380 1.00 0.00 O ATOM 1073 CB HIS A 70 5.993 2.571 -1.592 1.00 0.00 C ATOM 1074 CG HIS A 70 6.133 2.311 -3.081 1.00 0.00 C ATOM 1075 ND1 HIS A 70 7.028 1.411 -3.628 1.00 0.00 N ATOM 1076 CD2 HIS A 70 5.500 2.885 -4.130 1.00 0.00 C ATOM 1077 CE1 HIS A 70 6.934 1.450 -4.936 1.00 0.00 C ATOM 1078 NE2 HIS A 70 6.019 2.327 -5.265 1.00 0.00 N ATOM 0 H HIS A 70 6.278 3.297 0.882 1.00 0.00 H new ATOM 0 HA HIS A 70 7.953 1.941 -0.965 1.00 0.00 H new ATOM 0 HB2 HIS A 70 5.508 1.714 -1.126 1.00 0.00 H new ATOM 0 HB3 HIS A 70 5.338 3.429 -1.441 1.00 0.00 H new ATOM 0 HD2 HIS A 70 4.730 3.641 -4.080 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.515 0.857 -5.627 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.738 2.558 -6.218 1.00 0.00 H new ATOM 1087 N ALA A 71 7.230 5.155 -1.278 1.00 0.00 N ATOM 1088 CA ALA A 71 7.530 6.502 -1.748 1.00 0.00 C ATOM 1089 C ALA A 71 8.961 6.752 -1.666 1.00 0.00 C ATOM 1090 O ALA A 71 9.591 7.149 -2.618 1.00 0.00 O ATOM 1091 CB ALA A 71 6.849 7.398 -0.797 1.00 0.00 C ATOM 0 H ALA A 71 6.411 5.141 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 71 7.212 6.647 -2.780 1.00 0.00 H new ATOM 0 HB1 ALA A 71 7.027 8.435 -1.083 1.00 0.00 H new ATOM 0 HB2 ALA A 71 5.778 7.197 -0.811 1.00 0.00 H new ATOM 0 HB3 ALA A 71 7.238 7.226 0.207 1.00 0.00 H new ATOM 1097 N LYS A 72 9.448 6.408 -0.537 1.00 0.00 N ATOM 1098 CA LYS A 72 10.818 6.511 -0.148 1.00 0.00 C ATOM 1099 C LYS A 72 11.762 5.916 -1.265 1.00 0.00 C ATOM 1100 O LYS A 72 12.915 6.325 -1.419 1.00 0.00 O ATOM 1101 CB LYS A 72 10.976 5.728 1.136 1.00 0.00 C ATOM 1102 CG LYS A 72 11.512 6.501 2.293 1.00 0.00 C ATOM 1103 CD LYS A 72 11.024 5.806 3.504 1.00 0.00 C ATOM 1104 CE LYS A 72 11.757 6.146 4.775 1.00 0.00 C ATOM 1105 NZ LYS A 72 11.675 7.571 5.163 1.00 0.00 N ATOM 0 H LYS A 72 8.864 6.017 0.202 1.00 0.00 H new ATOM 0 HA LYS A 72 11.096 7.556 -0.007 1.00 0.00 H new ATOM 0 HB2 LYS A 72 10.005 5.317 1.413 1.00 0.00 H new ATOM 0 HB3 LYS A 72 11.638 4.883 0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 72 12.601 6.531 2.272 1.00 0.00 H new ATOM 0 HG3 LYS A 72 11.164 7.534 2.268 1.00 0.00 H new ATOM 0 HD2 LYS A 72 9.968 6.041 3.638 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.093 4.731 3.340 1.00 0.00 H new ATOM 0 HE2 LYS A 72 11.356 5.537 5.586 1.00 0.00 H new ATOM 0 HE3 LYS A 72 12.806 5.873 4.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 12.204 7.721 6.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.084 8.160 4.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 10.679 7.835 5.307 1.00 0.00 H new ATOM 1119 N HIS A 73 11.228 4.926 -2.009 1.00 0.00 N ATOM 1120 CA HIS A 73 11.917 4.328 -3.191 1.00 0.00 C ATOM 1121 C HIS A 73 11.214 4.583 -4.611 1.00 0.00 C ATOM 1122 O HIS A 73 11.933 4.682 -5.597 1.00 0.00 O ATOM 1123 CB HIS A 73 12.179 2.813 -2.996 1.00 0.00 C ATOM 1124 CG HIS A 73 13.167 2.231 -3.973 1.00 0.00 C ATOM 1125 ND1 HIS A 73 14.526 2.356 -3.819 1.00 0.00 N ATOM 1126 CD2 HIS A 73 12.986 1.515 -5.109 1.00 0.00 C ATOM 1127 CE1 HIS A 73 15.140 1.749 -4.809 1.00 0.00 C ATOM 1128 NE2 HIS A 73 14.229 1.227 -5.607 1.00 0.00 N ATOM 0 H HIS A 73 10.314 4.515 -1.817 1.00 0.00 H new ATOM 0 HA HIS A 73 12.862 4.869 -3.233 1.00 0.00 H new ATOM 0 HB2 HIS A 73 12.544 2.645 -1.983 1.00 0.00 H new ATOM 0 HB3 HIS A 73 11.234 2.277 -3.087 1.00 0.00 H new ATOM 0 HD2 HIS A 73 12.039 1.226 -5.541 1.00 0.00 H new ATOM 0 HE1 HIS A 73 16.210 1.688 -4.946 1.00 0.00 H new ATOM 0 HE2 HIS A 73 14.419 0.695 -6.457 1.00 0.00 H new ATOM 1137 N CYS A 74 9.831 4.647 -4.732 1.00 0.00 N ATOM 1138 CA CYS A 74 9.193 4.921 -6.051 1.00 0.00 C ATOM 1139 C CYS A 74 9.695 6.320 -6.530 1.00 0.00 C ATOM 1140 O CYS A 74 9.413 7.301 -5.854 1.00 0.00 O ATOM 1141 CB CYS A 74 7.566 4.969 -5.986 1.00 0.00 C ATOM 1142 SG CYS A 74 6.780 5.009 -7.617 1.00 0.00 S ATOM 0 H CYS A 74 9.178 4.517 -3.959 1.00 0.00 H new ATOM 0 HA CYS A 74 9.466 4.110 -6.727 1.00 0.00 H new ATOM 0 HB2 CYS A 74 7.206 4.098 -5.439 1.00 0.00 H new ATOM 0 HB3 CYS A 74 7.258 5.849 -5.421 1.00 0.00 H new ATOM 0 HG CYS A 74 5.488 5.044 -7.475 1.00 0.00 H new ATOM 1148 N GLN A 75 10.472 6.455 -7.628 1.00 0.00 N ATOM 1149 CA GLN A 75 10.838 7.818 -8.020 1.00 0.00 C ATOM 1150 C GLN A 75 9.690 8.379 -8.844 1.00 0.00 C ATOM 1151 O GLN A 75 9.645 8.185 -10.064 1.00 0.00 O ATOM 1152 CB GLN A 75 12.184 7.934 -8.833 1.00 0.00 C ATOM 1153 CG GLN A 75 13.417 7.283 -8.164 1.00 0.00 C ATOM 1154 CD GLN A 75 13.660 7.580 -6.648 1.00 0.00 C ATOM 1155 OE1 GLN A 75 14.177 6.716 -5.947 1.00 0.00 O ATOM 1156 NE2 GLN A 75 13.365 8.777 -6.125 1.00 0.00 N ATOM 0 H GLN A 75 10.830 5.699 -8.212 1.00 0.00 H new ATOM 0 HA GLN A 75 11.013 8.383 -7.105 1.00 0.00 H new ATOM 0 HB2 GLN A 75 12.039 7.477 -9.812 1.00 0.00 H new ATOM 0 HB3 GLN A 75 12.398 8.989 -9.002 1.00 0.00 H new ATOM 0 HG2 GLN A 75 13.334 6.203 -8.286 1.00 0.00 H new ATOM 0 HG3 GLN A 75 14.303 7.598 -8.714 1.00 0.00 H new ATOM 0 HE21 GLN A 75 12.935 9.496 -6.707 1.00 0.00 H new ATOM 0 HE22 GLN A 75 13.570 8.970 -5.145 1.00 0.00 H new ATOM 1165 N GLU A 76 8.733 9.027 -8.183 1.00 0.00 N ATOM 1166 CA GLU A 76 7.575 9.547 -8.844 1.00 0.00 C ATOM 1167 C GLU A 76 6.971 10.642 -8.015 1.00 0.00 C ATOM 1168 O GLU A 76 6.951 10.568 -6.808 1.00 0.00 O ATOM 1169 CB GLU A 76 6.530 8.451 -9.152 1.00 0.00 C ATOM 1170 CG GLU A 76 5.244 9.031 -9.705 1.00 0.00 C ATOM 1171 CD GLU A 76 4.162 8.037 -9.959 1.00 0.00 C ATOM 1172 OE1 GLU A 76 4.203 7.345 -10.991 1.00 0.00 O ATOM 1173 OE2 GLU A 76 3.225 7.967 -9.163 1.00 0.00 O ATOM 0 H GLU A 76 8.754 9.197 -7.178 1.00 0.00 H new ATOM 0 HA GLU A 76 7.893 9.951 -9.805 1.00 0.00 H new ATOM 0 HB2 GLU A 76 6.947 7.744 -9.870 1.00 0.00 H new ATOM 0 HB3 GLU A 76 6.313 7.891 -8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 76 4.871 9.781 -9.007 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.468 9.548 -10.638 1.00 0.00 H new ATOM 1180 N ASN A 77 6.513 11.650 -8.678 1.00 0.00 N ATOM 1181 CA ASN A 77 5.968 12.808 -8.037 1.00 0.00 C ATOM 1182 C ASN A 77 4.516 12.978 -8.447 1.00 0.00 C ATOM 1183 O ASN A 77 3.851 13.936 -8.085 1.00 0.00 O ATOM 1184 CB ASN A 77 6.851 14.004 -8.396 1.00 0.00 C ATOM 1185 CG ASN A 77 6.540 15.291 -7.625 1.00 0.00 C ATOM 1186 OD1 ASN A 77 5.730 16.118 -8.057 1.00 0.00 O ATOM 1187 ND2 ASN A 77 7.184 15.483 -6.527 1.00 0.00 N ATOM 0 H ASN A 77 6.505 11.697 -9.697 1.00 0.00 H new ATOM 0 HA ASN A 77 5.966 12.711 -6.951 1.00 0.00 H new ATOM 0 HB2 ASN A 77 7.892 13.734 -8.219 1.00 0.00 H new ATOM 0 HB3 ASN A 77 6.751 14.204 -9.463 1.00 0.00 H new ATOM 0 HD21 ASN A 77 7.032 16.336 -5.989 1.00 0.00 H new ATOM 0 HD22 ASN A 77 7.847 14.782 -6.195 1.00 0.00 H new ATOM 1194 N LYS A 78 4.042 12.009 -9.193 1.00 0.00 N ATOM 1195 CA LYS A 78 2.756 12.105 -9.867 1.00 0.00 C ATOM 1196 C LYS A 78 1.497 12.071 -9.024 1.00 0.00 C ATOM 1197 O LYS A 78 1.234 13.033 -8.318 1.00 0.00 O ATOM 1198 CB LYS A 78 2.669 11.344 -11.197 1.00 0.00 C ATOM 1199 CG LYS A 78 1.489 11.766 -12.047 1.00 0.00 C ATOM 1200 CD LYS A 78 1.756 11.513 -13.502 1.00 0.00 C ATOM 1201 CE LYS A 78 2.008 10.046 -13.815 1.00 0.00 C ATOM 1202 NZ LYS A 78 2.247 9.834 -15.256 1.00 0.00 N ATOM 0 H LYS A 78 4.532 11.129 -9.354 1.00 0.00 H new ATOM 0 HA LYS A 78 2.763 13.159 -10.143 1.00 0.00 H new ATOM 0 HB2 LYS A 78 3.589 11.501 -11.760 1.00 0.00 H new ATOM 0 HB3 LYS A 78 2.599 10.275 -10.993 1.00 0.00 H new ATOM 0 HG2 LYS A 78 0.599 11.219 -11.737 1.00 0.00 H new ATOM 0 HG3 LYS A 78 1.284 12.825 -11.890 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.906 11.863 -14.088 1.00 0.00 H new ATOM 0 HD3 LYS A 78 2.621 12.099 -13.814 1.00 0.00 H new ATOM 0 HE2 LYS A 78 2.869 9.694 -13.247 1.00 0.00 H new ATOM 0 HE3 LYS A 78 1.151 9.452 -13.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 2.415 8.823 -15.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 1.415 10.147 -15.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 3.079 10.382 -15.554 1.00 0.00 H new ATOM 1216 N CYS A 79 0.702 11.007 -9.049 1.00 0.00 N ATOM 1217 CA CYS A 79 -0.618 11.193 -8.464 1.00 0.00 C ATOM 1218 C CYS A 79 -1.363 10.017 -7.824 1.00 0.00 C ATOM 1219 O CYS A 79 -2.319 10.317 -7.091 1.00 0.00 O ATOM 1220 CB CYS A 79 -1.580 11.848 -9.483 1.00 0.00 C ATOM 1221 SG CYS A 79 -1.156 13.527 -10.013 1.00 0.00 S ATOM 0 H CYS A 79 0.919 10.086 -9.431 1.00 0.00 H new ATOM 0 HA CYS A 79 -0.351 11.818 -7.612 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -1.629 11.211 -10.366 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -2.579 11.868 -9.048 1.00 0.00 H new ATOM 0 HG CYS A 79 -0.103 13.933 -9.368 1.00 0.00 H new ATOM 1227 N PRO A 80 -1.071 8.683 -7.996 1.00 0.00 N ATOM 1228 CA PRO A 80 -2.016 7.786 -7.541 1.00 0.00 C ATOM 1229 C PRO A 80 -1.967 7.517 -6.061 1.00 0.00 C ATOM 1230 O PRO A 80 -3.009 7.455 -5.414 1.00 0.00 O ATOM 1231 CB PRO A 80 -1.798 6.563 -8.412 1.00 0.00 C ATOM 1232 CG PRO A 80 -0.375 6.535 -8.743 1.00 0.00 C ATOM 1233 CD PRO A 80 0.132 7.925 -8.504 1.00 0.00 C ATOM 0 HA PRO A 80 -3.028 8.180 -7.635 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -2.091 5.655 -7.885 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -2.405 6.618 -9.316 1.00 0.00 H new ATOM 0 HG2 PRO A 80 0.156 5.814 -8.122 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -0.221 6.237 -9.780 1.00 0.00 H new ATOM 0 HD2 PRO A 80 0.943 7.932 -7.775 1.00 0.00 H new ATOM 0 HD3 PRO A 80 0.523 8.368 -9.420 1.00 0.00 H new ATOM 1241 N VAL A 81 -0.802 7.445 -5.502 1.00 0.00 N ATOM 1242 CA VAL A 81 -0.727 6.945 -4.190 1.00 0.00 C ATOM 1243 C VAL A 81 -0.524 8.000 -3.090 1.00 0.00 C ATOM 1244 O VAL A 81 0.491 8.813 -3.124 1.00 0.00 O ATOM 1245 CB VAL A 81 0.299 5.802 -4.049 1.00 0.00 C ATOM 1246 CG1 VAL A 81 0.221 5.116 -2.666 1.00 0.00 C ATOM 1247 CG2 VAL A 81 0.099 4.804 -5.143 1.00 0.00 C ATOM 0 H VAL A 81 0.083 7.721 -5.929 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.725 6.541 -4.021 1.00 0.00 H new ATOM 0 HB VAL A 81 1.295 6.237 -4.132 1.00 0.00 H new ATOM 0 HG11 VAL A 81 0.962 4.318 -2.613 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.421 5.849 -1.884 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -0.775 4.697 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 81 0.826 3.999 -5.039 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.909 4.393 -5.081 1.00 0.00 H new ATOM 0 HG23 VAL A 81 0.233 5.291 -6.109 1.00 0.00 H new ATOM 1257 N PRO A 82 -1.454 7.909 -2.042 1.00 0.00 N ATOM 1258 CA PRO A 82 -1.438 8.626 -0.783 1.00 0.00 C ATOM 1259 C PRO A 82 -0.167 8.300 -0.188 1.00 0.00 C ATOM 1260 O PRO A 82 0.419 7.339 -0.587 1.00 0.00 O ATOM 1261 CB PRO A 82 -2.577 8.016 0.034 1.00 0.00 C ATOM 1262 CG PRO A 82 -2.679 6.720 -0.576 1.00 0.00 C ATOM 1263 CD PRO A 82 -2.547 7.027 -2.040 1.00 0.00 C ATOM 0 HA PRO A 82 -1.560 9.707 -0.859 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -2.338 7.956 1.096 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -3.501 8.588 -0.053 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -1.893 6.048 -0.232 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -3.631 6.240 -0.348 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -2.353 6.132 -2.631 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -3.447 7.488 -2.446 1.00 0.00 H new ATOM 1271 N PHE A 83 0.125 8.884 0.869 1.00 0.00 N ATOM 1272 CA PHE A 83 1.454 9.293 1.141 1.00 0.00 C ATOM 1273 C PHE A 83 2.554 8.318 0.755 1.00 0.00 C ATOM 1274 O PHE A 83 3.110 7.612 1.476 1.00 0.00 O ATOM 1275 CB PHE A 83 1.542 9.689 2.562 1.00 0.00 C ATOM 1276 CG PHE A 83 0.251 10.315 3.044 1.00 0.00 C ATOM 1277 CD1 PHE A 83 -0.745 9.500 3.570 1.00 0.00 C ATOM 1278 CD2 PHE A 83 -0.007 11.661 2.898 1.00 0.00 C ATOM 1279 CE1 PHE A 83 -1.948 9.998 3.928 1.00 0.00 C ATOM 1280 CE2 PHE A 83 -1.232 12.177 3.279 1.00 0.00 C ATOM 1281 CZ PHE A 83 -2.202 11.329 3.788 1.00 0.00 C ATOM 0 H PHE A 83 -0.547 9.109 1.603 1.00 0.00 H new ATOM 0 HA PHE A 83 1.651 10.139 0.482 1.00 0.00 H new ATOM 0 HB2 PHE A 83 1.773 8.815 3.171 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.362 10.395 2.694 1.00 0.00 H new ATOM 0 HD1 PHE A 83 -0.552 8.445 3.695 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.748 12.313 2.486 1.00 0.00 H new ATOM 0 HE1 PHE A 83 -2.708 9.342 4.325 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -1.431 13.234 3.180 1.00 0.00 H new ATOM 0 HZ PHE A 83 -3.165 11.725 4.075 1.00 0.00 H new ATOM 1291 N CYS A 84 2.731 8.533 -0.458 1.00 0.00 N ATOM 1292 CA CYS A 84 3.513 8.225 -1.555 1.00 0.00 C ATOM 1293 C CYS A 84 3.518 9.622 -2.005 1.00 0.00 C ATOM 1294 O CYS A 84 3.718 10.403 -1.143 1.00 0.00 O ATOM 1295 CB CYS A 84 2.910 7.230 -2.540 1.00 0.00 C ATOM 1296 SG CYS A 84 3.940 6.879 -3.995 1.00 0.00 S ATOM 0 H CYS A 84 2.050 9.194 -0.832 1.00 0.00 H new ATOM 0 HA CYS A 84 4.460 7.709 -1.398 1.00 0.00 H new ATOM 0 HB2 CYS A 84 2.715 6.294 -2.016 1.00 0.00 H new ATOM 0 HB3 CYS A 84 1.947 7.613 -2.878 1.00 0.00 H new ATOM 0 HG CYS A 84 3.439 5.874 -4.649 1.00 0.00 H new ATOM 1302 N LEU A 85 3.451 9.933 -3.271 1.00 0.00 N ATOM 1303 CA LEU A 85 3.781 11.278 -3.945 1.00 0.00 C ATOM 1304 C LEU A 85 3.434 12.678 -3.208 1.00 0.00 C ATOM 1305 O LEU A 85 3.449 13.725 -3.819 1.00 0.00 O ATOM 1306 CB LEU A 85 3.271 11.364 -5.428 1.00 0.00 C ATOM 1307 CG LEU A 85 1.832 10.926 -5.812 1.00 0.00 C ATOM 1308 CD1 LEU A 85 1.766 9.471 -6.105 1.00 0.00 C ATOM 1309 CD2 LEU A 85 0.803 11.323 -4.764 1.00 0.00 C ATOM 0 H LEU A 85 3.148 9.242 -3.957 1.00 0.00 H new ATOM 0 HA LEU A 85 4.866 11.212 -3.871 1.00 0.00 H new ATOM 0 HB2 LEU A 85 3.382 12.402 -5.743 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.956 10.772 -6.035 1.00 0.00 H new ATOM 0 HG LEU A 85 1.577 11.465 -6.725 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.744 9.199 -6.370 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.431 9.237 -6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 85 2.074 8.908 -5.224 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.186 10.993 -5.082 1.00 0.00 H new ATOM 0 HD22 LEU A 85 1.053 10.854 -3.812 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.803 12.407 -4.646 1.00 0.00 H new ATOM 1321 N ASN A 86 3.195 12.613 -1.939 1.00 0.00 N ATOM 1322 CA ASN A 86 3.092 13.704 -0.968 1.00 0.00 C ATOM 1323 C ASN A 86 4.392 13.622 -0.096 1.00 0.00 C ATOM 1324 O ASN A 86 4.899 14.616 0.400 1.00 0.00 O ATOM 1325 CB ASN A 86 1.876 13.504 -0.023 1.00 0.00 C ATOM 1326 CG ASN A 86 0.544 13.272 -0.728 1.00 0.00 C ATOM 1327 OD1 ASN A 86 -0.293 12.522 -0.237 1.00 0.00 O ATOM 1328 ND2 ASN A 86 0.316 13.928 -1.829 1.00 0.00 N ATOM 0 H ASN A 86 3.049 11.709 -1.490 1.00 0.00 H new ATOM 0 HA ASN A 86 2.972 14.657 -1.484 1.00 0.00 H new ATOM 0 HB2 ASN A 86 2.078 12.654 0.629 1.00 0.00 H new ATOM 0 HB3 ASN A 86 1.784 14.382 0.616 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.579 13.826 -2.308 1.00 0.00 H new ATOM 0 HD22 ASN A 86 1.032 14.545 -2.213 1.00 0.00 H new ATOM 1335 N ILE A 87 4.895 12.370 0.098 1.00 0.00 N ATOM 1336 CA ILE A 87 6.203 12.084 0.749 1.00 0.00 C ATOM 1337 C ILE A 87 7.280 12.307 -0.304 1.00 0.00 C ATOM 1338 O ILE A 87 8.448 12.580 -0.018 1.00 0.00 O ATOM 1339 CB ILE A 87 6.274 10.598 1.371 1.00 0.00 C ATOM 1340 CG1 ILE A 87 5.286 10.475 2.549 1.00 0.00 C ATOM 1341 CG2 ILE A 87 7.705 10.155 1.791 1.00 0.00 C ATOM 1342 CD1 ILE A 87 5.536 11.430 3.694 1.00 0.00 C ATOM 0 H ILE A 87 4.400 11.528 -0.195 1.00 0.00 H new ATOM 0 HA ILE A 87 6.349 12.751 1.599 1.00 0.00 H new ATOM 0 HB ILE A 87 5.985 9.913 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 87 4.275 10.637 2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 87 5.325 9.455 2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 87 7.668 9.145 2.200 1.00 0.00 H new ATOM 0 HG22 ILE A 87 8.361 10.171 0.921 1.00 0.00 H new ATOM 0 HG23 ILE A 87 8.090 10.839 2.548 1.00 0.00 H new ATOM 0 HD11 ILE A 87 4.791 11.267 4.473 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.532 11.256 4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 87 5.466 12.456 3.334 1.00 0.00 H new ATOM 1354 N LYS A 88 6.845 12.239 -1.540 1.00 0.00 N ATOM 1355 CA LYS A 88 7.681 12.537 -2.666 1.00 0.00 C ATOM 1356 C LYS A 88 7.420 13.965 -3.023 1.00 0.00 C ATOM 1357 O LYS A 88 6.829 14.242 -4.045 1.00 0.00 O ATOM 1358 CB LYS A 88 7.247 11.710 -3.866 1.00 0.00 C ATOM 1359 CG LYS A 88 7.140 10.217 -3.637 1.00 0.00 C ATOM 1360 CD LYS A 88 8.333 9.501 -4.190 1.00 0.00 C ATOM 1361 CE LYS A 88 9.608 9.906 -3.521 1.00 0.00 C ATOM 1362 NZ LYS A 88 10.753 9.184 -4.083 1.00 0.00 N ATOM 0 H LYS A 88 5.892 11.973 -1.789 1.00 0.00 H new ATOM 0 HA LYS A 88 8.724 12.333 -2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 88 6.278 12.076 -4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 88 7.954 11.884 -4.677 1.00 0.00 H new ATOM 0 HG2 LYS A 88 7.053 10.015 -2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 88 6.233 9.838 -4.108 1.00 0.00 H new ATOM 0 HD2 LYS A 88 8.192 8.426 -4.075 1.00 0.00 H new ATOM 0 HD3 LYS A 88 8.409 9.700 -5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.758 10.979 -3.638 1.00 0.00 H new ATOM 0 HE3 LYS A 88 9.539 9.708 -2.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 11.605 9.777 -4.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.902 8.302 -3.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.566 8.960 -5.081 1.00 0.00 H new ATOM 1586 N SER B 12 6.131 -3.538 8.292 1.00 0.00 N ATOM 1587 CA SER B 12 5.541 -4.838 8.047 1.00 0.00 C ATOM 1588 C SER B 12 4.430 -4.798 6.973 1.00 0.00 C ATOM 1589 O SER B 12 3.465 -4.032 7.079 1.00 0.00 O ATOM 1590 CB SER B 12 4.939 -5.327 9.333 1.00 0.00 C ATOM 1591 OG SER B 12 5.674 -4.794 10.441 1.00 0.00 O ATOM 0 HA SER B 12 6.328 -5.498 7.682 1.00 0.00 H new ATOM 0 HB2 SER B 12 3.894 -5.022 9.396 1.00 0.00 H new ATOM 0 HB3 SER B 12 4.956 -6.416 9.363 1.00 0.00 H new ATOM 0 HG SER B 12 6.078 -3.938 10.185 1.00 0.00 H new ATOM 1597 N PRO B 13 4.565 -5.642 5.942 1.00 0.00 N ATOM 1598 CA PRO B 13 3.568 -5.791 4.862 1.00 0.00 C ATOM 1599 C PRO B 13 2.296 -6.415 5.319 1.00 0.00 C ATOM 1600 O PRO B 13 1.249 -6.260 4.673 1.00 0.00 O ATOM 1601 CB PRO B 13 4.188 -6.771 3.916 1.00 0.00 C ATOM 1602 CG PRO B 13 5.360 -7.373 4.601 1.00 0.00 C ATOM 1603 CD PRO B 13 5.751 -6.467 5.706 1.00 0.00 C ATOM 0 HA PRO B 13 3.331 -4.809 4.452 1.00 0.00 H new ATOM 0 HB2 PRO B 13 3.469 -7.542 3.637 1.00 0.00 H new ATOM 0 HB3 PRO B 13 4.495 -6.274 2.996 1.00 0.00 H new ATOM 0 HG2 PRO B 13 5.111 -8.362 4.987 1.00 0.00 H new ATOM 0 HG3 PRO B 13 6.186 -7.503 3.902 1.00 0.00 H new ATOM 0 HD2 PRO B 13 6.029 -7.027 6.599 1.00 0.00 H new ATOM 0 HD3 PRO B 13 6.611 -5.856 5.433 1.00 0.00 H new ATOM 1611 N ASP B 14 2.403 -7.027 6.457 1.00 0.00 N ATOM 1612 CA ASP B 14 1.405 -7.897 7.076 1.00 0.00 C ATOM 1613 C ASP B 14 -0.008 -7.390 6.935 1.00 0.00 C ATOM 1614 O ASP B 14 -0.908 -8.154 6.615 1.00 0.00 O ATOM 1615 CB ASP B 14 1.765 -8.049 8.566 1.00 0.00 C ATOM 1616 CG ASP B 14 0.653 -8.617 9.432 1.00 0.00 C ATOM 1617 OD1 ASP B 14 0.561 -9.852 9.578 1.00 0.00 O ATOM 1618 OD2 ASP B 14 -0.121 -7.826 10.020 1.00 0.00 O ATOM 0 H ASP B 14 3.241 -6.937 7.031 1.00 0.00 H new ATOM 0 HA ASP B 14 1.429 -8.856 6.558 1.00 0.00 H new ATOM 0 HB2 ASP B 14 2.639 -8.695 8.651 1.00 0.00 H new ATOM 0 HB3 ASP B 14 2.050 -7.073 8.958 1.00 0.00 H new ATOM 1623 N ASP B 15 -0.204 -6.129 7.161 1.00 0.00 N ATOM 1624 CA ASP B 15 -1.538 -5.585 7.098 1.00 0.00 C ATOM 1625 C ASP B 15 -2.079 -5.386 5.678 1.00 0.00 C ATOM 1626 O ASP B 15 -3.121 -5.910 5.345 1.00 0.00 O ATOM 1627 CB ASP B 15 -1.699 -4.353 7.980 1.00 0.00 C ATOM 1628 CG ASP B 15 -3.129 -4.118 8.422 1.00 0.00 C ATOM 1629 OD1 ASP B 15 -3.821 -5.111 8.754 1.00 0.00 O ATOM 1630 OD2 ASP B 15 -3.554 -2.953 8.552 1.00 0.00 O ATOM 0 H ASP B 15 0.529 -5.457 7.389 1.00 0.00 H new ATOM 0 HA ASP B 15 -2.181 -6.359 7.517 1.00 0.00 H new ATOM 0 HB2 ASP B 15 -1.066 -4.460 8.861 1.00 0.00 H new ATOM 0 HB3 ASP B 15 -1.345 -3.477 7.437 1.00 0.00 H new ATOM 1635 N ILE B 16 -1.330 -4.706 4.820 1.00 0.00 N ATOM 1636 CA ILE B 16 -1.820 -4.284 3.547 1.00 0.00 C ATOM 1637 C ILE B 16 -1.874 -5.410 2.537 1.00 0.00 C ATOM 1638 O ILE B 16 -2.647 -5.407 1.612 1.00 0.00 O ATOM 1639 CB ILE B 16 -1.004 -3.093 3.055 1.00 0.00 C ATOM 1640 CG1 ILE B 16 0.519 -3.270 3.304 1.00 0.00 C ATOM 1641 CG2 ILE B 16 -1.512 -1.868 3.737 1.00 0.00 C ATOM 1642 CD1 ILE B 16 1.001 -2.729 4.610 1.00 0.00 C ATOM 0 H ILE B 16 -0.363 -4.438 5.004 1.00 0.00 H new ATOM 0 HA ILE B 16 -2.856 -3.966 3.668 1.00 0.00 H new ATOM 0 HB ILE B 16 -1.124 -3.009 1.975 1.00 0.00 H new ATOM 0 HG12 ILE B 16 0.761 -4.331 3.253 1.00 0.00 H new ATOM 0 HG13 ILE B 16 1.065 -2.780 2.498 1.00 0.00 H new ATOM 0 HG21 ILE B 16 -0.943 -1.002 3.400 1.00 0.00 H new ATOM 0 HG22 ILE B 16 -2.565 -1.727 3.494 1.00 0.00 H new ATOM 0 HG23 ILE B 16 -1.400 -1.979 4.816 1.00 0.00 H new ATOM 0 HD11 ILE B 16 2.074 -2.896 4.699 1.00 0.00 H new ATOM 0 HD12 ILE B 16 0.795 -1.660 4.659 1.00 0.00 H new ATOM 0 HD13 ILE B 16 0.486 -3.236 5.426 1.00 0.00 H new ATOM 1654 N GLU B 17 -1.072 -6.349 2.766 1.00 0.00 N ATOM 1655 CA GLU B 17 -0.966 -7.545 1.928 1.00 0.00 C ATOM 1656 C GLU B 17 -2.138 -8.516 2.101 1.00 0.00 C ATOM 1657 O GLU B 17 -2.431 -9.321 1.228 1.00 0.00 O ATOM 1658 CB GLU B 17 0.415 -8.216 2.006 1.00 0.00 C ATOM 1659 CG GLU B 17 0.747 -9.003 3.266 1.00 0.00 C ATOM 1660 CD GLU B 17 0.406 -10.471 3.159 1.00 0.00 C ATOM 1661 OE1 GLU B 17 1.144 -11.224 2.471 1.00 0.00 O ATOM 1662 OE2 GLU B 17 -0.565 -10.923 3.795 1.00 0.00 O ATOM 0 H GLU B 17 -0.430 -6.349 3.558 1.00 0.00 H new ATOM 0 HA GLU B 17 -1.051 -7.191 0.901 1.00 0.00 H new ATOM 0 HB2 GLU B 17 0.509 -8.890 1.155 1.00 0.00 H new ATOM 0 HB3 GLU B 17 1.172 -7.441 1.885 1.00 0.00 H new ATOM 0 HG2 GLU B 17 1.810 -8.899 3.482 1.00 0.00 H new ATOM 0 HG3 GLU B 17 0.207 -8.572 4.109 1.00 0.00 H new ATOM 1669 N GLN B 18 -2.845 -8.423 3.191 1.00 0.00 N ATOM 1670 CA GLN B 18 -4.056 -9.224 3.312 1.00 0.00 C ATOM 1671 C GLN B 18 -5.119 -8.526 2.469 1.00 0.00 C ATOM 1672 O GLN B 18 -6.106 -9.119 1.951 1.00 0.00 O ATOM 1673 CB GLN B 18 -4.502 -9.327 4.776 1.00 0.00 C ATOM 1674 CG GLN B 18 -3.409 -9.827 5.703 1.00 0.00 C ATOM 1675 CD GLN B 18 -3.822 -9.889 7.162 1.00 0.00 C ATOM 1676 OE1 GLN B 18 -4.981 -10.144 7.501 1.00 0.00 O ATOM 1677 NE2 GLN B 18 -2.897 -9.582 8.033 1.00 0.00 N ATOM 0 H GLN B 18 -2.626 -7.827 3.989 1.00 0.00 H new ATOM 0 HA GLN B 18 -3.886 -10.244 2.966 1.00 0.00 H new ATOM 0 HB2 GLN B 18 -4.837 -8.347 5.116 1.00 0.00 H new ATOM 0 HB3 GLN B 18 -5.359 -9.997 4.841 1.00 0.00 H new ATOM 0 HG2 GLN B 18 -3.099 -10.821 5.381 1.00 0.00 H new ATOM 0 HG3 GLN B 18 -2.540 -9.176 5.609 1.00 0.00 H new ATOM 0 HE21 GLN B 18 -1.949 -9.377 7.719 1.00 0.00 H new ATOM 0 HE22 GLN B 18 -3.124 -9.548 9.027 1.00 0.00 H new ATOM 1686 N TRP B 19 -4.847 -7.272 2.224 1.00 0.00 N ATOM 1687 CA TRP B 19 -5.763 -6.471 1.540 1.00 0.00 C ATOM 1688 C TRP B 19 -5.494 -6.587 0.065 1.00 0.00 C ATOM 1689 O TRP B 19 -6.415 -6.696 -0.734 1.00 0.00 O ATOM 1690 CB TRP B 19 -5.775 -5.036 2.084 1.00 0.00 C ATOM 1691 CG TRP B 19 -6.365 -5.024 3.465 1.00 0.00 C ATOM 1692 CD1 TRP B 19 -5.921 -5.745 4.501 1.00 0.00 C ATOM 1693 CD2 TRP B 19 -7.502 -4.280 3.976 1.00 0.00 C ATOM 1694 NE1 TRP B 19 -6.665 -5.540 5.581 1.00 0.00 N ATOM 1695 CE2 TRP B 19 -7.634 -4.633 5.306 1.00 0.00 C ATOM 1696 CE3 TRP B 19 -8.401 -3.357 3.453 1.00 0.00 C ATOM 1697 CZ2 TRP B 19 -8.609 -4.111 6.113 1.00 0.00 C ATOM 1698 CZ3 TRP B 19 -9.385 -2.840 4.268 1.00 0.00 C ATOM 1699 CH2 TRP B 19 -9.477 -3.218 5.587 1.00 0.00 C ATOM 0 H TRP B 19 -3.985 -6.802 2.500 1.00 0.00 H new ATOM 0 HA TRP B 19 -6.782 -6.821 1.708 1.00 0.00 H new ATOM 0 HB2 TRP B 19 -4.761 -4.637 2.108 1.00 0.00 H new ATOM 0 HB3 TRP B 19 -6.356 -4.391 1.424 1.00 0.00 H new ATOM 0 HD1 TRP B 19 -5.069 -6.407 4.463 1.00 0.00 H new ATOM 0 HE1 TRP B 19 -6.528 -5.997 6.483 1.00 0.00 H new ATOM 0 HE3 TRP B 19 -8.329 -3.049 2.420 1.00 0.00 H new ATOM 0 HZ2 TRP B 19 -8.683 -4.407 7.149 1.00 0.00 H new ATOM 0 HZ3 TRP B 19 -10.092 -2.130 3.866 1.00 0.00 H new ATOM 0 HH2 TRP B 19 -10.252 -2.796 6.210 1.00 0.00 H new ATOM 1710 N PHE B 20 -4.204 -6.618 -0.265 1.00 0.00 N ATOM 1711 CA PHE B 20 -3.720 -6.897 -1.588 1.00 0.00 C ATOM 1712 C PHE B 20 -4.304 -8.191 -2.093 1.00 0.00 C ATOM 1713 O PHE B 20 -4.787 -8.267 -3.237 1.00 0.00 O ATOM 1714 CB PHE B 20 -2.147 -6.911 -1.620 1.00 0.00 C ATOM 1715 CG PHE B 20 -1.475 -8.188 -2.112 1.00 0.00 C ATOM 1716 CD1 PHE B 20 -1.287 -8.449 -3.462 1.00 0.00 C ATOM 1717 CD2 PHE B 20 -1.040 -9.110 -1.204 1.00 0.00 C ATOM 1718 CE1 PHE B 20 -0.680 -9.614 -3.876 1.00 0.00 C ATOM 1719 CE2 PHE B 20 -0.432 -10.278 -1.600 1.00 0.00 C ATOM 1720 CZ PHE B 20 -0.251 -10.533 -2.938 1.00 0.00 C ATOM 0 H PHE B 20 -3.458 -6.443 0.409 1.00 0.00 H new ATOM 0 HA PHE B 20 -4.045 -6.101 -2.257 1.00 0.00 H new ATOM 0 HB2 PHE B 20 -1.814 -6.088 -2.252 1.00 0.00 H new ATOM 0 HB3 PHE B 20 -1.786 -6.705 -0.612 1.00 0.00 H new ATOM 0 HD1 PHE B 20 -1.620 -7.731 -4.196 1.00 0.00 H new ATOM 0 HD2 PHE B 20 -1.177 -8.918 -0.150 1.00 0.00 H new ATOM 0 HE1 PHE B 20 -0.540 -9.808 -4.929 1.00 0.00 H new ATOM 0 HE2 PHE B 20 -0.098 -10.992 -0.862 1.00 0.00 H new ATOM 0 HZ PHE B 20 0.225 -11.449 -3.255 1.00 0.00 H new ATOM 1730 N THR B 21 -4.271 -9.211 -1.268 1.00 0.00 N ATOM 1731 CA THR B 21 -4.776 -10.385 -1.620 1.00 0.00 C ATOM 1732 C THR B 21 -5.334 -11.150 -0.419 1.00 0.00 C ATOM 1733 O THR B 21 -4.611 -11.678 0.427 1.00 0.00 O ATOM 1734 CB THR B 21 -3.708 -11.194 -2.389 1.00 0.00 C ATOM 1735 OG1 THR B 21 -3.667 -10.833 -3.777 1.00 0.00 O ATOM 1736 CG2 THR B 21 -3.883 -12.637 -2.202 1.00 0.00 C ATOM 0 H THR B 21 -3.871 -9.181 -0.330 1.00 0.00 H new ATOM 0 HA THR B 21 -5.625 -10.219 -2.283 1.00 0.00 H new ATOM 0 HB THR B 21 -2.738 -10.934 -1.965 1.00 0.00 H new ATOM 0 HG1 THR B 21 -2.830 -10.360 -3.967 1.00 0.00 H new ATOM 0 HG21 THR B 21 -3.113 -13.172 -2.758 1.00 0.00 H new ATOM 0 HG22 THR B 21 -3.800 -12.879 -1.143 1.00 0.00 H new ATOM 0 HG23 THR B 21 -4.866 -12.934 -2.566 1.00 0.00 H new ATOM 1744 N GLU B 22 -6.575 -10.950 -0.249 1.00 0.00 N ATOM 1745 CA GLU B 22 -7.425 -11.947 0.238 1.00 0.00 C ATOM 1746 C GLU B 22 -8.433 -12.180 -0.837 1.00 0.00 C ATOM 1747 O GLU B 22 -9.033 -11.224 -1.342 1.00 0.00 O ATOM 1748 CB GLU B 22 -8.035 -11.673 1.583 1.00 0.00 C ATOM 1749 CG GLU B 22 -7.094 -12.046 2.698 1.00 0.00 C ATOM 1750 CD GLU B 22 -6.819 -13.543 2.729 1.00 0.00 C ATOM 1751 OE1 GLU B 22 -7.589 -14.276 3.367 1.00 0.00 O ATOM 1752 OE2 GLU B 22 -5.826 -14.021 2.129 1.00 0.00 O ATOM 0 H GLU B 22 -7.040 -10.065 -0.450 1.00 0.00 H new ATOM 0 HA GLU B 22 -6.848 -12.848 0.449 1.00 0.00 H new ATOM 0 HB2 GLU B 22 -8.292 -10.616 1.660 1.00 0.00 H new ATOM 0 HB3 GLU B 22 -8.963 -12.235 1.685 1.00 0.00 H new ATOM 0 HG2 GLU B 22 -6.155 -11.506 2.577 1.00 0.00 H new ATOM 0 HG3 GLU B 22 -7.519 -11.735 3.652 1.00 0.00 H new