USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 584 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 70 THR OG1 : rot -46:sc= 1.48 USER MOD Set 1.2: A 76 LYS NZ :NH3+ -170:sc= 0.867 (180deg=0) USER MOD Set 2.1: A 42 HIS : no HD1:sc= -1.04 K(o=1.2,f=-5.7!) USER MOD Set 2.2: A 45 SER OG : rot 41:sc= 1.29 USER MOD Set 2.3: A 56 HIS : no HD1:sc= 0.962 K(o=1.2,f=-8.7!) USER MOD Single : A 1 ALA N :NH3+ -134:sc= 0 (180deg=-0.561) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= 3 K(o=3,f=-13!) USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0258) USER MOD Single : A 17 THR OG1 : rot 16:sc= 1.19 USER MOD Single : A 22 SER OG : rot -155:sc= -0.046 USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= 0.817 (180deg=0.77) USER MOD Single : A 27 SER OG : rot 180:sc= 0.102 USER MOD Single : A 32 THR OG1 : rot 72:sc= 0.288 USER MOD Single : A 36 THR OG1 : rot -62:sc= 1.06 USER MOD Single : A 37 SER OG : rot 180:sc= 0.102 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 LYS NZ :NH3+ -174:sc= 1.06 (180deg=1.03) USER MOD Single : A 51 SER OG : rot 61:sc= 0.139 USER MOD Single : A 53 GLN : amide:sc= 0.256 K(o=0.26,f=-0.84) USER MOD Single : A 55 MET CE :methyl 169:sc= 0 (180deg=-0.152) USER MOD Single : A 57 HIS :FLIP no HD1:sc= -4.22 F(o=-4.8!,f=-4.2) USER MOD Single : A 58 THR OG1 : rot -170:sc= 0.983 USER MOD Single : A 64 ASN : amide:sc= 1.68 K(o=1.7,f=-0.42) USER MOD Single : A 69 GLN : amide:sc= -0.0373 K(o=-0.037,f=-2.2!) USER MOD Single : A 71 SER OG : rot 180:sc= -0.218 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.034) USER MOD Single : A 79 SER OG : rot 180:sc= 0.107 USER MOD Single : A 80 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0296) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 10.739 7.402 -5.039 1.00 0.00 N ATOM 2 CA ALA A 1 10.683 6.112 -5.704 1.00 0.00 C ATOM 3 C ALA A 1 11.366 6.223 -7.076 1.00 0.00 C ATOM 4 O ALA A 1 12.556 6.534 -7.143 1.00 0.00 O ATOM 5 CB ALA A 1 9.222 5.649 -5.769 1.00 0.00 C ATOM 0 H1 ALA A 1 11.040 7.271 -4.052 1.00 0.00 H new ATOM 0 H2 ALA A 1 11.420 8.016 -5.530 1.00 0.00 H new ATOM 0 H3 ALA A 1 9.798 7.844 -5.058 1.00 0.00 H new ATOM 0 HA ALA A 1 11.228 5.348 -5.150 1.00 0.00 H new ATOM 0 HB1 ALA A 1 9.169 4.681 -6.267 1.00 0.00 H new ATOM 0 HB2 ALA A 1 8.823 5.560 -4.758 1.00 0.00 H new ATOM 0 HB3 ALA A 1 8.634 6.377 -6.328 1.00 0.00 H new ATOM 12 N VAL A 2 10.620 5.989 -8.163 1.00 0.00 N ATOM 13 CA VAL A 2 11.078 6.055 -9.547 1.00 0.00 C ATOM 14 C VAL A 2 12.330 5.189 -9.746 1.00 0.00 C ATOM 15 O VAL A 2 12.211 4.002 -10.037 1.00 0.00 O ATOM 16 CB VAL A 2 11.235 7.523 -10.002 1.00 0.00 C ATOM 17 CG1 VAL A 2 11.578 7.605 -11.496 1.00 0.00 C ATOM 18 CG2 VAL A 2 9.934 8.306 -9.766 1.00 0.00 C ATOM 0 H VAL A 2 9.634 5.737 -8.092 1.00 0.00 H new ATOM 0 HA VAL A 2 10.321 5.627 -10.205 1.00 0.00 H new ATOM 0 HB VAL A 2 12.045 7.956 -9.415 1.00 0.00 H new ATOM 0 HG11 VAL A 2 11.683 8.650 -11.788 1.00 0.00 H new ATOM 0 HG12 VAL A 2 12.515 7.080 -11.684 1.00 0.00 H new ATOM 0 HG13 VAL A 2 10.781 7.143 -12.078 1.00 0.00 H new ATOM 0 HG21 VAL A 2 10.066 9.337 -10.093 1.00 0.00 H new ATOM 0 HG22 VAL A 2 9.125 7.846 -10.333 1.00 0.00 H new ATOM 0 HG23 VAL A 2 9.688 8.291 -8.704 1.00 0.00 H new ATOM 28 N ILE A 3 13.523 5.767 -9.586 1.00 0.00 N ATOM 29 CA ILE A 3 14.776 5.036 -9.694 1.00 0.00 C ATOM 30 C ILE A 3 14.876 4.052 -8.525 1.00 0.00 C ATOM 31 O ILE A 3 15.276 2.901 -8.701 1.00 0.00 O ATOM 32 CB ILE A 3 15.969 6.012 -9.782 1.00 0.00 C ATOM 33 CG1 ILE A 3 17.315 5.289 -9.968 1.00 0.00 C ATOM 34 CG2 ILE A 3 16.090 6.941 -8.564 1.00 0.00 C ATOM 35 CD1 ILE A 3 17.375 4.435 -11.238 1.00 0.00 C ATOM 0 H ILE A 3 13.641 6.758 -9.377 1.00 0.00 H new ATOM 0 HA ILE A 3 14.804 4.455 -10.616 1.00 0.00 H new ATOM 0 HB ILE A 3 15.751 6.614 -10.664 1.00 0.00 H new ATOM 0 HG12 ILE A 3 18.115 6.028 -9.998 1.00 0.00 H new ATOM 0 HG13 ILE A 3 17.500 4.653 -9.102 1.00 0.00 H new ATOM 0 HG21 ILE A 3 16.949 7.600 -8.693 1.00 0.00 H new ATOM 0 HG22 ILE A 3 15.184 7.540 -8.472 1.00 0.00 H new ATOM 0 HG23 ILE A 3 16.223 6.343 -7.662 1.00 0.00 H new ATOM 0 HD11 ILE A 3 18.351 3.954 -11.307 1.00 0.00 H new ATOM 0 HD12 ILE A 3 16.596 3.673 -11.201 1.00 0.00 H new ATOM 0 HD13 ILE A 3 17.221 5.070 -12.111 1.00 0.00 H new ATOM 47 N THR A 4 14.480 4.488 -7.327 1.00 0.00 N ATOM 48 CA THR A 4 14.490 3.662 -6.133 1.00 0.00 C ATOM 49 C THR A 4 13.272 2.738 -6.166 1.00 0.00 C ATOM 50 O THR A 4 12.339 2.893 -5.384 1.00 0.00 O ATOM 51 CB THR A 4 14.543 4.567 -4.893 1.00 0.00 C ATOM 52 OG1 THR A 4 15.537 5.554 -5.087 1.00 0.00 O ATOM 53 CG2 THR A 4 14.887 3.773 -3.630 1.00 0.00 C ATOM 0 H THR A 4 14.141 5.436 -7.164 1.00 0.00 H new ATOM 0 HA THR A 4 15.374 3.025 -6.091 1.00 0.00 H new ATOM 0 HB THR A 4 13.560 5.018 -4.761 1.00 0.00 H new ATOM 0 HG1 THR A 4 15.577 6.137 -4.301 1.00 0.00 H new ATOM 0 HG21 THR A 4 14.915 4.446 -2.773 1.00 0.00 H new ATOM 0 HG22 THR A 4 14.130 3.007 -3.464 1.00 0.00 H new ATOM 0 HG23 THR A 4 15.861 3.300 -3.752 1.00 0.00 H new ATOM 61 N GLY A 5 13.267 1.792 -7.107 1.00 0.00 N ATOM 62 CA GLY A 5 12.194 0.820 -7.236 1.00 0.00 C ATOM 63 C GLY A 5 12.167 -0.068 -5.994 1.00 0.00 C ATOM 64 O GLY A 5 11.141 -0.190 -5.328 1.00 0.00 O ATOM 0 H GLY A 5 14.009 1.683 -7.798 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.238 1.330 -7.354 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.343 0.212 -8.129 1.00 0.00 H new ATOM 68 N ALA A 6 13.310 -0.693 -5.692 1.00 0.00 N ATOM 69 CA ALA A 6 13.477 -1.536 -4.520 1.00 0.00 C ATOM 70 C ALA A 6 13.657 -0.649 -3.290 1.00 0.00 C ATOM 71 O ALA A 6 14.338 0.374 -3.353 1.00 0.00 O ATOM 72 CB ALA A 6 14.676 -2.468 -4.711 1.00 0.00 C ATOM 0 H ALA A 6 14.150 -0.622 -6.266 1.00 0.00 H new ATOM 0 HA ALA A 6 12.592 -2.157 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.793 -3.096 -3.828 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.511 -3.098 -5.585 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.579 -1.875 -4.857 1.00 0.00 H new ATOM 78 N CYS A 7 13.018 -1.029 -2.186 1.00 0.00 N ATOM 79 CA CYS A 7 13.021 -0.308 -0.923 1.00 0.00 C ATOM 80 C CYS A 7 13.084 -1.276 0.253 1.00 0.00 C ATOM 81 O CYS A 7 13.081 -2.493 0.086 1.00 0.00 O ATOM 82 CB CYS A 7 11.753 0.545 -0.842 1.00 0.00 C ATOM 83 SG CYS A 7 10.243 -0.438 -0.914 1.00 0.00 S ATOM 0 H CYS A 7 12.462 -1.883 -2.149 1.00 0.00 H new ATOM 0 HA CYS A 7 13.902 0.332 -0.874 1.00 0.00 H new ATOM 0 HB2 CYS A 7 11.764 1.117 0.086 1.00 0.00 H new ATOM 0 HB3 CYS A 7 11.752 1.265 -1.661 1.00 0.00 H new ATOM 88 N GLU A 8 13.144 -0.689 1.447 1.00 0.00 N ATOM 89 CA GLU A 8 13.141 -1.324 2.752 1.00 0.00 C ATOM 90 C GLU A 8 11.935 -0.757 3.511 1.00 0.00 C ATOM 91 O GLU A 8 11.167 -1.511 4.112 1.00 0.00 O ATOM 92 CB GLU A 8 14.454 -1.005 3.483 1.00 0.00 C ATOM 93 CG GLU A 8 15.701 -1.449 2.703 1.00 0.00 C ATOM 94 CD GLU A 8 16.917 -0.626 3.113 1.00 0.00 C ATOM 95 OE1 GLU A 8 17.078 0.467 2.523 1.00 0.00 O ATOM 96 OE2 GLU A 8 17.648 -1.089 4.014 1.00 0.00 O ATOM 0 H GLU A 8 13.200 0.326 1.526 1.00 0.00 H new ATOM 0 HA GLU A 8 13.066 -2.409 2.676 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.510 0.068 3.665 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.449 -1.494 4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.893 -2.506 2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.525 -1.338 1.633 1.00 0.00 H new ATOM 103 N ARG A 9 11.766 0.572 3.474 1.00 0.00 N ATOM 104 CA ARG A 9 10.638 1.282 4.070 1.00 0.00 C ATOM 105 C ARG A 9 10.286 2.522 3.252 1.00 0.00 C ATOM 106 O ARG A 9 11.062 2.966 2.404 1.00 0.00 O ATOM 107 CB ARG A 9 10.851 1.618 5.553 1.00 0.00 C ATOM 108 CG ARG A 9 11.898 2.686 5.910 1.00 0.00 C ATOM 109 CD ARG A 9 13.233 2.481 5.198 1.00 0.00 C ATOM 110 NE ARG A 9 14.299 3.315 5.757 1.00 0.00 N ATOM 111 CZ ARG A 9 15.519 3.420 5.210 1.00 0.00 C ATOM 112 NH1 ARG A 9 15.797 2.812 4.050 1.00 0.00 N ATOM 113 NH2 ARG A 9 16.462 4.133 5.834 1.00 0.00 N ATOM 0 H ARG A 9 12.431 1.195 3.015 1.00 0.00 H new ATOM 0 HA ARG A 9 9.787 0.601 4.043 1.00 0.00 H new ATOM 0 HB2 ARG A 9 9.894 1.939 5.963 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.125 0.697 6.068 1.00 0.00 H new ATOM 0 HG2 ARG A 9 11.505 3.670 5.655 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.063 2.678 6.987 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.522 1.432 5.268 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.115 2.709 4.139 1.00 0.00 H new ATOM 0 HE ARG A 9 14.103 3.844 6.607 1.00 0.00 H new ATOM 0 HH11 ARG A 9 15.079 2.264 3.576 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.727 2.896 3.640 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.251 4.593 6.720 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.392 4.217 5.424 1.00 0.00 H new ATOM 127 N ASP A 10 9.106 3.075 3.540 1.00 0.00 N ATOM 128 CA ASP A 10 8.509 4.211 2.839 1.00 0.00 C ATOM 129 C ASP A 10 9.472 5.383 2.652 1.00 0.00 C ATOM 130 O ASP A 10 9.397 6.090 1.651 1.00 0.00 O ATOM 131 CB ASP A 10 7.301 4.732 3.620 1.00 0.00 C ATOM 132 CG ASP A 10 6.015 3.943 3.462 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.013 2.771 3.026 1.00 0.00 O ATOM 134 OD2 ASP A 10 4.988 4.533 3.852 1.00 0.00 O ATOM 0 H ASP A 10 8.518 2.729 4.298 1.00 0.00 H new ATOM 0 HA ASP A 10 8.227 3.836 1.855 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.561 4.757 4.678 1.00 0.00 H new ATOM 0 HB3 ASP A 10 7.112 5.761 3.314 1.00 0.00 H new ATOM 139 N LEU A 11 10.347 5.620 3.632 1.00 0.00 N ATOM 140 CA LEU A 11 11.293 6.728 3.621 1.00 0.00 C ATOM 141 C LEU A 11 12.059 6.863 2.299 1.00 0.00 C ATOM 142 O LEU A 11 12.408 7.981 1.929 1.00 0.00 O ATOM 143 CB LEU A 11 12.269 6.620 4.801 1.00 0.00 C ATOM 144 CG LEU A 11 11.601 6.716 6.185 1.00 0.00 C ATOM 145 CD1 LEU A 11 12.676 6.545 7.264 1.00 0.00 C ATOM 146 CD2 LEU A 11 10.889 8.058 6.401 1.00 0.00 C ATOM 0 H LEU A 11 10.416 5.037 4.466 1.00 0.00 H new ATOM 0 HA LEU A 11 10.699 7.636 3.726 1.00 0.00 H new ATOM 0 HB2 LEU A 11 12.801 5.671 4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 11 13.015 7.410 4.714 1.00 0.00 H new ATOM 0 HG LEU A 11 10.848 5.930 6.246 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.216 6.611 8.250 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.153 5.572 7.151 1.00 0.00 H new ATOM 0 HD13 LEU A 11 13.424 7.331 7.160 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.435 8.074 7.392 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.611 8.870 6.320 1.00 0.00 H new ATOM 0 HD23 LEU A 11 10.114 8.185 5.645 1.00 0.00 H new ATOM 158 N GLN A 12 12.329 5.758 1.590 1.00 0.00 N ATOM 159 CA GLN A 12 13.039 5.811 0.311 1.00 0.00 C ATOM 160 C GLN A 12 12.086 5.678 -0.887 1.00 0.00 C ATOM 161 O GLN A 12 12.497 5.215 -1.949 1.00 0.00 O ATOM 162 CB GLN A 12 14.176 4.782 0.316 1.00 0.00 C ATOM 163 CG GLN A 12 13.667 3.344 0.177 1.00 0.00 C ATOM 164 CD GLN A 12 14.468 2.390 1.048 1.00 0.00 C ATOM 165 OE1 GLN A 12 13.958 1.883 2.043 1.00 0.00 O ATOM 166 NE2 GLN A 12 15.719 2.120 0.695 1.00 0.00 N ATOM 0 H GLN A 12 12.065 4.818 1.884 1.00 0.00 H new ATOM 0 HA GLN A 12 13.490 6.796 0.190 1.00 0.00 H new ATOM 0 HB2 GLN A 12 14.863 5.001 -0.501 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.742 4.876 1.243 1.00 0.00 H new ATOM 0 HG2 GLN A 12 12.615 3.299 0.457 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.733 3.031 -0.865 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.119 2.554 -0.136 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.280 1.478 1.255 1.00 0.00 H new ATOM 175 N CYS A 13 10.820 6.071 -0.715 1.00 0.00 N ATOM 176 CA CYS A 13 9.787 6.071 -1.745 1.00 0.00 C ATOM 177 C CYS A 13 9.206 7.485 -1.837 1.00 0.00 C ATOM 178 O CYS A 13 9.557 8.355 -1.041 1.00 0.00 O ATOM 179 CB CYS A 13 8.698 5.037 -1.418 1.00 0.00 C ATOM 180 SG CYS A 13 9.222 3.308 -1.336 1.00 0.00 S ATOM 0 H CYS A 13 10.477 6.411 0.184 1.00 0.00 H new ATOM 0 HA CYS A 13 10.213 5.790 -2.708 1.00 0.00 H new ATOM 0 HB2 CYS A 13 8.252 5.304 -0.460 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.913 5.120 -2.169 1.00 0.00 H new ATOM 185 N GLY A 14 8.325 7.736 -2.809 1.00 0.00 N ATOM 186 CA GLY A 14 7.712 9.042 -3.009 1.00 0.00 C ATOM 187 C GLY A 14 6.389 9.135 -2.252 1.00 0.00 C ATOM 188 O GLY A 14 5.807 8.116 -1.887 1.00 0.00 O ATOM 0 H GLY A 14 8.019 7.032 -3.480 1.00 0.00 H new ATOM 0 HA2 GLY A 14 8.389 9.824 -2.666 1.00 0.00 H new ATOM 0 HA3 GLY A 14 7.542 9.211 -4.072 1.00 0.00 H new ATOM 192 N LYS A 15 5.878 10.355 -2.056 1.00 0.00 N ATOM 193 CA LYS A 15 4.616 10.585 -1.356 1.00 0.00 C ATOM 194 C LYS A 15 3.459 9.781 -1.967 1.00 0.00 C ATOM 195 O LYS A 15 2.569 9.331 -1.253 1.00 0.00 O ATOM 196 CB LYS A 15 4.314 12.090 -1.290 1.00 0.00 C ATOM 197 CG LYS A 15 4.142 12.760 -2.662 1.00 0.00 C ATOM 198 CD LYS A 15 3.914 14.266 -2.474 1.00 0.00 C ATOM 199 CE LYS A 15 3.815 15.007 -3.814 1.00 0.00 C ATOM 200 NZ LYS A 15 2.649 14.572 -4.605 1.00 0.00 N ATOM 0 H LYS A 15 6.331 11.210 -2.380 1.00 0.00 H new ATOM 0 HA LYS A 15 4.722 10.219 -0.335 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.405 12.241 -0.708 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.122 12.588 -0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.027 12.590 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.298 12.317 -3.191 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.999 14.425 -1.904 1.00 0.00 H new ATOM 0 HD3 LYS A 15 4.732 14.686 -1.888 1.00 0.00 H new ATOM 0 HE2 LYS A 15 3.748 16.079 -3.630 1.00 0.00 H new ATOM 0 HE3 LYS A 15 4.726 14.838 -4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.583 15.145 -5.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 2.758 13.570 -4.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 1.783 14.694 -4.042 1.00 0.00 H new ATOM 214 N GLY A 16 3.481 9.591 -3.290 1.00 0.00 N ATOM 215 CA GLY A 16 2.465 8.834 -4.009 1.00 0.00 C ATOM 216 C GLY A 16 2.740 7.328 -4.017 1.00 0.00 C ATOM 217 O GLY A 16 2.142 6.605 -4.814 1.00 0.00 O ATOM 0 H GLY A 16 4.214 9.964 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.492 9.018 -3.554 1.00 0.00 H new ATOM 0 HA3 GLY A 16 2.410 9.194 -5.036 1.00 0.00 H new ATOM 221 N THR A 17 3.639 6.831 -3.163 1.00 0.00 N ATOM 222 CA THR A 17 3.945 5.413 -3.071 1.00 0.00 C ATOM 223 C THR A 17 4.143 5.024 -1.601 1.00 0.00 C ATOM 224 O THR A 17 4.231 5.893 -0.739 1.00 0.00 O ATOM 225 CB THR A 17 5.236 5.109 -3.871 1.00 0.00 C ATOM 226 OG1 THR A 17 6.224 6.088 -3.615 1.00 0.00 O ATOM 227 CG2 THR A 17 5.071 5.066 -5.392 1.00 0.00 C ATOM 0 H THR A 17 4.174 7.410 -2.515 1.00 0.00 H new ATOM 0 HA THR A 17 3.119 4.836 -3.487 1.00 0.00 H new ATOM 0 HB THR A 17 5.517 4.113 -3.528 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.980 6.598 -2.815 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.032 4.846 -5.856 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.354 4.290 -5.658 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.709 6.031 -5.746 1.00 0.00 H new ATOM 235 N CYS A 18 4.230 3.720 -1.329 1.00 0.00 N ATOM 236 CA CYS A 18 4.578 3.143 -0.040 1.00 0.00 C ATOM 237 C CYS A 18 5.484 1.946 -0.325 1.00 0.00 C ATOM 238 O CYS A 18 5.423 1.378 -1.417 1.00 0.00 O ATOM 239 CB CYS A 18 3.340 2.712 0.756 1.00 0.00 C ATOM 240 SG CYS A 18 2.945 0.941 0.677 1.00 0.00 S ATOM 0 H CYS A 18 4.050 3.009 -2.038 1.00 0.00 H new ATOM 0 HA CYS A 18 5.083 3.887 0.577 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.485 2.989 1.800 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.481 3.276 0.393 1.00 0.00 H new ATOM 245 N CYS A 19 6.324 1.553 0.629 1.00 0.00 N ATOM 246 CA CYS A 19 7.221 0.424 0.448 1.00 0.00 C ATOM 247 C CYS A 19 6.504 -0.872 0.823 1.00 0.00 C ATOM 248 O CYS A 19 6.404 -1.194 2.010 1.00 0.00 O ATOM 249 CB CYS A 19 8.473 0.626 1.293 1.00 0.00 C ATOM 250 SG CYS A 19 9.656 -0.706 1.050 1.00 0.00 S ATOM 0 H CYS A 19 6.399 2.006 1.540 1.00 0.00 H new ATOM 0 HA CYS A 19 7.521 0.355 -0.598 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.937 1.578 1.035 1.00 0.00 H new ATOM 0 HB3 CYS A 19 8.197 0.681 2.346 1.00 0.00 H new ATOM 255 N ALA A 20 5.978 -1.601 -0.167 1.00 0.00 N ATOM 256 CA ALA A 20 5.259 -2.859 0.040 1.00 0.00 C ATOM 257 C ALA A 20 6.195 -4.038 -0.226 1.00 0.00 C ATOM 258 O ALA A 20 7.284 -3.850 -0.755 1.00 0.00 O ATOM 259 CB ALA A 20 4.039 -2.917 -0.880 1.00 0.00 C ATOM 0 H ALA A 20 6.042 -1.328 -1.148 1.00 0.00 H new ATOM 0 HA ALA A 20 4.915 -2.916 1.073 1.00 0.00 H new ATOM 0 HB1 ALA A 20 3.508 -3.856 -0.721 1.00 0.00 H new ATOM 0 HB2 ALA A 20 3.375 -2.082 -0.657 1.00 0.00 H new ATOM 0 HB3 ALA A 20 4.363 -2.855 -1.919 1.00 0.00 H new ATOM 265 N VAL A 21 5.797 -5.254 0.150 1.00 0.00 N ATOM 266 CA VAL A 21 6.591 -6.462 -0.087 1.00 0.00 C ATOM 267 C VAL A 21 6.671 -6.747 -1.604 1.00 0.00 C ATOM 268 O VAL A 21 5.989 -6.083 -2.380 1.00 0.00 O ATOM 269 CB VAL A 21 5.927 -7.614 0.702 1.00 0.00 C ATOM 270 CG1 VAL A 21 6.588 -8.978 0.485 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.966 -7.331 2.210 1.00 0.00 C ATOM 0 H VAL A 21 4.914 -5.430 0.628 1.00 0.00 H new ATOM 0 HA VAL A 21 7.618 -6.345 0.259 1.00 0.00 H new ATOM 0 HB VAL A 21 4.907 -7.658 0.322 1.00 0.00 H new ATOM 0 HG11 VAL A 21 6.065 -9.733 1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 21 6.540 -9.242 -0.571 1.00 0.00 H new ATOM 0 HG13 VAL A 21 7.630 -8.931 0.800 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.494 -8.154 2.747 1.00 0.00 H new ATOM 0 HG22 VAL A 21 7.002 -7.233 2.535 1.00 0.00 H new ATOM 0 HG23 VAL A 21 5.430 -6.405 2.420 1.00 0.00 H new ATOM 281 N SER A 22 7.500 -7.707 -2.047 1.00 0.00 N ATOM 282 CA SER A 22 7.584 -8.182 -3.422 1.00 0.00 C ATOM 283 C SER A 22 6.968 -9.590 -3.515 1.00 0.00 C ATOM 284 O SER A 22 7.177 -10.415 -2.629 1.00 0.00 O ATOM 285 CB SER A 22 9.052 -8.204 -3.827 1.00 0.00 C ATOM 286 OG SER A 22 9.606 -6.924 -3.635 1.00 0.00 O ATOM 0 H SER A 22 8.152 -8.187 -1.426 1.00 0.00 H new ATOM 0 HA SER A 22 7.033 -7.525 -4.095 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.594 -8.940 -3.234 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.149 -8.502 -4.871 1.00 0.00 H new ATOM 0 HG SER A 22 10.376 -6.808 -4.230 1.00 0.00 H new ATOM 292 N LEU A 23 6.188 -9.882 -4.564 1.00 0.00 N ATOM 293 CA LEU A 23 5.481 -11.161 -4.712 1.00 0.00 C ATOM 294 C LEU A 23 6.393 -12.340 -5.050 1.00 0.00 C ATOM 295 O LEU A 23 5.978 -13.484 -4.882 1.00 0.00 O ATOM 296 CB LEU A 23 4.377 -11.042 -5.785 1.00 0.00 C ATOM 297 CG LEU A 23 3.145 -10.275 -5.283 1.00 0.00 C ATOM 298 CD1 LEU A 23 2.189 -9.885 -6.400 1.00 0.00 C ATOM 299 CD2 LEU A 23 2.317 -11.066 -4.260 1.00 0.00 C ATOM 0 H LEU A 23 6.029 -9.235 -5.337 1.00 0.00 H new ATOM 0 HA LEU A 23 5.046 -11.372 -3.735 1.00 0.00 H new ATOM 0 HB2 LEU A 23 4.781 -10.538 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 23 4.075 -12.040 -6.102 1.00 0.00 H new ATOM 0 HG LEU A 23 3.573 -9.386 -4.820 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.340 -9.346 -5.980 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.707 -9.246 -7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.835 -10.783 -6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 23 1.461 -10.469 -3.945 1.00 0.00 H new ATOM 0 HD22 LEU A 23 1.966 -11.992 -4.714 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.936 -11.299 -3.393 1.00 0.00 H new ATOM 311 N TRP A 24 7.627 -12.084 -5.485 1.00 0.00 N ATOM 312 CA TRP A 24 8.506 -13.126 -6.003 1.00 0.00 C ATOM 313 C TRP A 24 9.473 -13.574 -4.910 1.00 0.00 C ATOM 314 O TRP A 24 9.486 -14.750 -4.558 1.00 0.00 O ATOM 315 CB TRP A 24 9.140 -12.615 -7.307 1.00 0.00 C ATOM 316 CG TRP A 24 8.177 -11.803 -8.136 1.00 0.00 C ATOM 317 CD1 TRP A 24 8.381 -10.530 -8.544 1.00 0.00 C ATOM 318 CD2 TRP A 24 6.779 -12.098 -8.454 1.00 0.00 C ATOM 319 NE1 TRP A 24 7.207 -10.002 -9.044 1.00 0.00 N ATOM 320 CE2 TRP A 24 6.181 -10.921 -8.989 1.00 0.00 C ATOM 321 CE3 TRP A 24 5.924 -13.205 -8.255 1.00 0.00 C ATOM 322 CZ2 TRP A 24 4.811 -10.845 -9.284 1.00 0.00 C ATOM 323 CZ3 TRP A 24 4.563 -13.160 -8.607 1.00 0.00 C ATOM 324 CH2 TRP A 24 4.000 -11.973 -9.099 1.00 0.00 C ATOM 0 H TRP A 24 8.042 -11.152 -5.487 1.00 0.00 H new ATOM 0 HA TRP A 24 7.971 -14.036 -6.272 1.00 0.00 H new ATOM 0 HB2 TRP A 24 10.013 -12.007 -7.069 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.493 -13.464 -7.893 1.00 0.00 H new ATOM 0 HD1 TRP A 24 9.323 -10.004 -8.487 1.00 0.00 H new ATOM 0 HE1 TRP A 24 7.111 -9.054 -9.407 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.326 -14.109 -7.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 4.384 -9.923 -9.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 3.949 -14.042 -8.498 1.00 0.00 H new ATOM 0 HH2 TRP A 24 2.947 -11.929 -9.334 1.00 0.00 H new ATOM 335 N ILE A 25 10.244 -12.649 -4.333 1.00 0.00 N ATOM 336 CA ILE A 25 11.050 -12.909 -3.166 1.00 0.00 C ATOM 337 C ILE A 25 10.606 -11.904 -2.118 1.00 0.00 C ATOM 338 O ILE A 25 10.910 -10.717 -2.221 1.00 0.00 O ATOM 339 CB ILE A 25 12.555 -12.832 -3.459 1.00 0.00 C ATOM 340 CG1 ILE A 25 13.012 -11.596 -4.256 1.00 0.00 C ATOM 341 CG2 ILE A 25 13.001 -14.152 -4.090 1.00 0.00 C ATOM 342 CD1 ILE A 25 14.488 -11.649 -4.661 1.00 0.00 C ATOM 0 H ILE A 25 10.318 -11.691 -4.677 1.00 0.00 H new ATOM 0 HA ILE A 25 10.903 -13.929 -2.812 1.00 0.00 H new ATOM 0 HB ILE A 25 13.061 -12.689 -2.504 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.399 -11.503 -5.153 1.00 0.00 H new ATOM 0 HG13 ILE A 25 12.838 -10.702 -3.658 1.00 0.00 H new ATOM 0 HG21 ILE A 25 14.069 -14.111 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.800 -14.971 -3.400 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.452 -14.316 -5.017 1.00 0.00 H new ATOM 0 HD11 ILE A 25 14.745 -10.749 -5.219 1.00 0.00 H new ATOM 0 HD12 ILE A 25 15.109 -11.711 -3.767 1.00 0.00 H new ATOM 0 HD13 ILE A 25 14.663 -12.525 -5.285 1.00 0.00 H new ATOM 354 N LYS A 26 9.895 -12.387 -1.098 1.00 0.00 N ATOM 355 CA LYS A 26 9.433 -11.590 0.019 1.00 0.00 C ATOM 356 C LYS A 26 10.622 -10.869 0.674 1.00 0.00 C ATOM 357 O LYS A 26 10.444 -9.859 1.349 1.00 0.00 O ATOM 358 CB LYS A 26 8.699 -12.523 0.987 1.00 0.00 C ATOM 359 CG LYS A 26 7.263 -12.863 0.546 1.00 0.00 C ATOM 360 CD LYS A 26 7.160 -13.621 -0.787 1.00 0.00 C ATOM 361 CE LYS A 26 5.715 -14.056 -1.051 1.00 0.00 C ATOM 362 NZ LYS A 26 5.601 -14.800 -2.319 1.00 0.00 N ATOM 0 H LYS A 26 9.622 -13.368 -1.032 1.00 0.00 H new ATOM 0 HA LYS A 26 8.742 -10.812 -0.304 1.00 0.00 H new ATOM 0 HB2 LYS A 26 9.267 -13.447 1.089 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.667 -12.058 1.972 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.791 -13.461 1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.694 -11.937 0.466 1.00 0.00 H new ATOM 0 HD2 LYS A 26 7.508 -12.985 -1.601 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.810 -14.495 -0.765 1.00 0.00 H new ATOM 0 HE2 LYS A 26 5.365 -14.680 -0.229 1.00 0.00 H new ATOM 0 HE3 LYS A 26 5.069 -13.179 -1.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 4.649 -15.211 -2.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.765 -14.153 -3.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 6.309 -15.562 -2.340 1.00 0.00 H new ATOM 376 N SER A 27 11.835 -11.389 0.450 1.00 0.00 N ATOM 377 CA SER A 27 13.098 -10.804 0.846 1.00 0.00 C ATOM 378 C SER A 27 13.192 -9.326 0.450 1.00 0.00 C ATOM 379 O SER A 27 13.753 -8.524 1.191 1.00 0.00 O ATOM 380 CB SER A 27 14.180 -11.595 0.103 1.00 0.00 C ATOM 381 OG SER A 27 13.868 -12.977 0.162 1.00 0.00 O ATOM 0 H SER A 27 11.955 -12.276 -0.039 1.00 0.00 H new ATOM 0 HA SER A 27 13.210 -10.851 1.929 1.00 0.00 H new ATOM 0 HB2 SER A 27 14.240 -11.267 -0.935 1.00 0.00 H new ATOM 0 HB3 SER A 27 15.156 -11.410 0.552 1.00 0.00 H new ATOM 0 HG SER A 27 14.556 -13.488 -0.313 1.00 0.00 H new ATOM 387 N VAL A 28 12.692 -8.988 -0.743 1.00 0.00 N ATOM 388 CA VAL A 28 12.743 -7.643 -1.293 1.00 0.00 C ATOM 389 C VAL A 28 11.390 -6.961 -1.096 1.00 0.00 C ATOM 390 O VAL A 28 10.337 -7.604 -1.096 1.00 0.00 O ATOM 391 CB VAL A 28 13.149 -7.719 -2.778 1.00 0.00 C ATOM 392 CG1 VAL A 28 13.160 -6.343 -3.456 1.00 0.00 C ATOM 393 CG2 VAL A 28 14.553 -8.326 -2.915 1.00 0.00 C ATOM 0 H VAL A 28 12.233 -9.659 -1.359 1.00 0.00 H new ATOM 0 HA VAL A 28 13.490 -7.043 -0.774 1.00 0.00 H new ATOM 0 HB VAL A 28 12.403 -8.344 -3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.453 -6.454 -4.500 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.164 -5.903 -3.403 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.871 -5.692 -2.947 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.827 -8.374 -3.969 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.272 -7.705 -2.381 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.558 -9.331 -2.493 1.00 0.00 H new ATOM 403 N ARG A 29 11.415 -5.637 -0.953 1.00 0.00 N ATOM 404 CA ARG A 29 10.244 -4.789 -0.823 1.00 0.00 C ATOM 405 C ARG A 29 10.382 -3.734 -1.930 1.00 0.00 C ATOM 406 O ARG A 29 11.508 -3.411 -2.311 1.00 0.00 O ATOM 407 CB ARG A 29 10.172 -4.225 0.608 1.00 0.00 C ATOM 408 CG ARG A 29 10.457 -5.311 1.664 1.00 0.00 C ATOM 409 CD ARG A 29 10.155 -4.847 3.094 1.00 0.00 C ATOM 410 NE ARG A 29 8.706 -4.757 3.322 1.00 0.00 N ATOM 411 CZ ARG A 29 7.978 -3.635 3.285 1.00 0.00 C ATOM 412 NH1 ARG A 29 8.523 -2.424 3.427 1.00 0.00 N ATOM 413 NH2 ARG A 29 6.666 -3.717 3.065 1.00 0.00 N ATOM 0 H ARG A 29 12.288 -5.111 -0.924 1.00 0.00 H new ATOM 0 HA ARG A 29 9.297 -5.312 -0.955 1.00 0.00 H new ATOM 0 HB2 ARG A 29 10.892 -3.414 0.716 1.00 0.00 H new ATOM 0 HB3 ARG A 29 9.184 -3.799 0.782 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.859 -6.194 1.440 1.00 0.00 H new ATOM 0 HG3 ARG A 29 11.503 -5.609 1.598 1.00 0.00 H new ATOM 0 HD2 ARG A 29 10.597 -5.543 3.807 1.00 0.00 H new ATOM 0 HD3 ARG A 29 10.616 -3.875 3.270 1.00 0.00 H new ATOM 0 HE ARG A 29 8.212 -5.626 3.526 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.529 -2.331 3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.934 -1.592 3.393 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.228 -4.628 2.927 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.100 -2.869 3.034 1.00 0.00 H new ATOM 427 N VAL A 30 9.276 -3.248 -2.504 1.00 0.00 N ATOM 428 CA VAL A 30 9.278 -2.312 -3.622 1.00 0.00 C ATOM 429 C VAL A 30 8.303 -1.147 -3.407 1.00 0.00 C ATOM 430 O VAL A 30 7.235 -1.296 -2.799 1.00 0.00 O ATOM 431 CB VAL A 30 8.987 -3.044 -4.945 1.00 0.00 C ATOM 432 CG1 VAL A 30 10.162 -3.925 -5.386 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.716 -3.904 -4.874 1.00 0.00 C ATOM 0 H VAL A 30 8.338 -3.503 -2.194 1.00 0.00 H new ATOM 0 HA VAL A 30 10.277 -1.879 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 30 8.834 -2.257 -5.683 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.912 -4.422 -6.323 1.00 0.00 H new ATOM 0 HG12 VAL A 30 11.048 -3.306 -5.528 1.00 0.00 H new ATOM 0 HG13 VAL A 30 10.362 -4.674 -4.620 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.557 -4.398 -5.832 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.828 -4.656 -4.093 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.860 -3.269 -4.646 1.00 0.00 H new ATOM 443 N CYS A 31 8.696 0.031 -3.904 1.00 0.00 N ATOM 444 CA CYS A 31 7.911 1.255 -3.835 1.00 0.00 C ATOM 445 C CYS A 31 6.685 1.075 -4.724 1.00 0.00 C ATOM 446 O CYS A 31 6.752 1.238 -5.940 1.00 0.00 O ATOM 447 CB CYS A 31 8.733 2.470 -4.276 1.00 0.00 C ATOM 448 SG CYS A 31 10.097 2.959 -3.192 1.00 0.00 S ATOM 0 H CYS A 31 9.592 0.156 -4.376 1.00 0.00 H new ATOM 0 HA CYS A 31 7.606 1.441 -2.805 1.00 0.00 H new ATOM 0 HB2 CYS A 31 9.141 2.265 -5.266 1.00 0.00 H new ATOM 0 HB3 CYS A 31 8.058 3.319 -4.379 1.00 0.00 H new ATOM 453 N THR A 32 5.564 0.735 -4.100 1.00 0.00 N ATOM 454 CA THR A 32 4.294 0.432 -4.733 1.00 0.00 C ATOM 455 C THR A 32 3.411 1.681 -4.639 1.00 0.00 C ATOM 456 O THR A 32 3.467 2.373 -3.624 1.00 0.00 O ATOM 457 CB THR A 32 3.724 -0.771 -3.969 1.00 0.00 C ATOM 458 OG1 THR A 32 4.682 -1.812 -4.025 1.00 0.00 O ATOM 459 CG2 THR A 32 2.404 -1.309 -4.525 1.00 0.00 C ATOM 0 H THR A 32 5.518 0.660 -3.084 1.00 0.00 H new ATOM 0 HA THR A 32 4.371 0.177 -5.790 1.00 0.00 H new ATOM 0 HB THR A 32 3.515 -0.430 -2.955 1.00 0.00 H new ATOM 0 HG1 THR A 32 5.442 -1.589 -3.448 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.075 -2.157 -3.925 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.648 -0.525 -4.490 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.547 -1.629 -5.557 1.00 0.00 H new ATOM 467 N PRO A 33 2.635 2.029 -5.678 1.00 0.00 N ATOM 468 CA PRO A 33 1.807 3.226 -5.671 1.00 0.00 C ATOM 469 C PRO A 33 0.733 3.176 -4.588 1.00 0.00 C ATOM 470 O PRO A 33 0.262 2.099 -4.220 1.00 0.00 O ATOM 471 CB PRO A 33 1.195 3.317 -7.073 1.00 0.00 C ATOM 472 CG PRO A 33 1.202 1.869 -7.559 1.00 0.00 C ATOM 473 CD PRO A 33 2.476 1.307 -6.930 1.00 0.00 C ATOM 0 HA PRO A 33 2.400 4.110 -5.438 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.185 3.726 -7.044 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.782 3.963 -7.726 1.00 0.00 H new ATOM 0 HG2 PRO A 33 0.315 1.327 -7.229 1.00 0.00 H new ATOM 0 HG3 PRO A 33 1.227 1.808 -8.647 1.00 0.00 H new ATOM 0 HD2 PRO A 33 2.390 0.234 -6.757 1.00 0.00 H new ATOM 0 HD3 PRO A 33 3.336 1.457 -7.583 1.00 0.00 H new ATOM 481 N VAL A 34 0.357 4.348 -4.064 1.00 0.00 N ATOM 482 CA VAL A 34 -0.766 4.431 -3.138 1.00 0.00 C ATOM 483 C VAL A 34 -2.019 3.940 -3.871 1.00 0.00 C ATOM 484 O VAL A 34 -2.127 4.089 -5.089 1.00 0.00 O ATOM 485 CB VAL A 34 -0.968 5.856 -2.593 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.122 6.239 -1.591 1.00 0.00 C ATOM 487 CG2 VAL A 34 -1.044 6.909 -3.702 1.00 0.00 C ATOM 0 H VAL A 34 0.811 5.239 -4.265 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.562 3.804 -2.270 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.930 5.841 -2.081 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.056 7.252 -1.229 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.104 5.545 -0.751 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.096 6.193 -2.078 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.187 7.895 -3.259 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -0.118 6.900 -4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.882 6.683 -4.362 1.00 0.00 H new ATOM 497 N GLY A 35 -2.965 3.352 -3.141 1.00 0.00 N ATOM 498 CA GLY A 35 -4.159 2.796 -3.745 1.00 0.00 C ATOM 499 C GLY A 35 -4.945 3.833 -4.544 1.00 0.00 C ATOM 500 O GLY A 35 -5.039 4.989 -4.144 1.00 0.00 O ATOM 0 H GLY A 35 -2.921 3.252 -2.127 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.881 1.971 -4.401 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.798 2.382 -2.965 1.00 0.00 H new ATOM 504 N THR A 36 -5.525 3.419 -5.664 1.00 0.00 N ATOM 505 CA THR A 36 -6.341 4.250 -6.541 1.00 0.00 C ATOM 506 C THR A 36 -7.734 3.613 -6.613 1.00 0.00 C ATOM 507 O THR A 36 -7.869 2.431 -6.311 1.00 0.00 O ATOM 508 CB THR A 36 -5.677 4.336 -7.923 1.00 0.00 C ATOM 509 OG1 THR A 36 -5.397 3.047 -8.430 1.00 0.00 O ATOM 510 CG2 THR A 36 -4.370 5.131 -7.859 1.00 0.00 C ATOM 0 H THR A 36 -5.437 2.460 -5.999 1.00 0.00 H new ATOM 0 HA THR A 36 -6.433 5.268 -6.163 1.00 0.00 H new ATOM 0 HB THR A 36 -6.379 4.845 -8.584 1.00 0.00 H new ATOM 0 HG1 THR A 36 -4.770 2.589 -7.832 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.922 5.175 -8.852 1.00 0.00 H new ATOM 0 HG22 THR A 36 -4.576 6.142 -7.508 1.00 0.00 H new ATOM 0 HG23 THR A 36 -3.680 4.642 -7.171 1.00 0.00 H new ATOM 518 N SER A 37 -8.771 4.375 -6.975 1.00 0.00 N ATOM 519 CA SER A 37 -10.156 3.925 -7.073 1.00 0.00 C ATOM 520 C SER A 37 -10.286 2.502 -7.636 1.00 0.00 C ATOM 521 O SER A 37 -9.839 2.241 -8.751 1.00 0.00 O ATOM 522 CB SER A 37 -10.888 4.931 -7.964 1.00 0.00 C ATOM 523 OG SER A 37 -10.452 6.240 -7.630 1.00 0.00 O ATOM 0 H SER A 37 -8.660 5.360 -7.216 1.00 0.00 H new ATOM 0 HA SER A 37 -10.593 3.881 -6.075 1.00 0.00 H new ATOM 0 HB2 SER A 37 -10.685 4.722 -9.014 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.966 4.845 -7.824 1.00 0.00 H new ATOM 0 HG SER A 37 -10.914 6.893 -8.196 1.00 0.00 H new ATOM 529 N GLY A 38 -10.886 1.582 -6.873 1.00 0.00 N ATOM 530 CA GLY A 38 -11.084 0.197 -7.283 1.00 0.00 C ATOM 531 C GLY A 38 -9.909 -0.728 -6.944 1.00 0.00 C ATOM 532 O GLY A 38 -10.098 -1.939 -6.872 1.00 0.00 O ATOM 0 H GLY A 38 -11.251 1.786 -5.942 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -11.985 -0.187 -6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -11.257 0.169 -8.359 1.00 0.00 H new ATOM 536 N GLU A 39 -8.702 -0.195 -6.740 1.00 0.00 N ATOM 537 CA GLU A 39 -7.520 -0.983 -6.421 1.00 0.00 C ATOM 538 C GLU A 39 -7.601 -1.505 -4.983 1.00 0.00 C ATOM 539 O GLU A 39 -8.226 -0.875 -4.128 1.00 0.00 O ATOM 540 CB GLU A 39 -6.289 -0.086 -6.598 1.00 0.00 C ATOM 541 CG GLU A 39 -4.958 -0.845 -6.630 1.00 0.00 C ATOM 542 CD GLU A 39 -3.770 0.086 -6.873 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.990 1.319 -6.860 1.00 0.00 O ATOM 544 OE2 GLU A 39 -2.661 -0.455 -7.072 1.00 0.00 O ATOM 0 H GLU A 39 -8.521 0.807 -6.793 1.00 0.00 H new ATOM 0 HA GLU A 39 -7.452 -1.845 -7.084 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -6.395 0.478 -7.524 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.262 0.639 -5.784 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.818 -1.371 -5.686 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.991 -1.601 -7.414 1.00 0.00 H new ATOM 551 N ASP A 40 -6.956 -2.649 -4.721 1.00 0.00 N ATOM 552 CA ASP A 40 -6.877 -3.231 -3.387 1.00 0.00 C ATOM 553 C ASP A 40 -6.032 -2.331 -2.482 1.00 0.00 C ATOM 554 O ASP A 40 -5.107 -1.671 -2.955 1.00 0.00 O ATOM 555 CB ASP A 40 -6.281 -4.644 -3.450 1.00 0.00 C ATOM 556 CG ASP A 40 -6.256 -5.313 -2.074 1.00 0.00 C ATOM 557 OD1 ASP A 40 -5.287 -5.055 -1.324 1.00 0.00 O ATOM 558 OD2 ASP A 40 -7.208 -6.076 -1.800 1.00 0.00 O ATOM 0 H ASP A 40 -6.474 -3.195 -5.436 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.882 -3.307 -2.973 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.864 -5.254 -4.140 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.267 -4.593 -3.848 1.00 0.00 H new ATOM 563 N CYS A 41 -6.331 -2.317 -1.183 1.00 0.00 N ATOM 564 CA CYS A 41 -5.625 -1.522 -0.187 1.00 0.00 C ATOM 565 C CYS A 41 -5.570 -2.281 1.124 1.00 0.00 C ATOM 566 O CYS A 41 -6.448 -3.097 1.402 1.00 0.00 O ATOM 567 CB CYS A 41 -6.366 -0.211 0.040 1.00 0.00 C ATOM 568 SG CYS A 41 -8.104 -0.436 0.493 1.00 0.00 S ATOM 0 H CYS A 41 -7.090 -2.873 -0.788 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.615 -1.321 -0.544 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -5.863 0.350 0.827 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.310 0.391 -0.867 1.00 0.00 H new ATOM 573 N HIS A 42 -4.551 -1.996 1.938 1.00 0.00 N ATOM 574 CA HIS A 42 -4.394 -2.647 3.228 1.00 0.00 C ATOM 575 C HIS A 42 -4.849 -1.703 4.341 1.00 0.00 C ATOM 576 O HIS A 42 -4.209 -0.672 4.555 1.00 0.00 O ATOM 577 CB HIS A 42 -2.951 -3.100 3.442 1.00 0.00 C ATOM 578 CG HIS A 42 -2.889 -4.210 4.450 1.00 0.00 C ATOM 579 ND1 HIS A 42 -3.505 -4.115 5.699 1.00 0.00 N ATOM 580 CD2 HIS A 42 -2.461 -5.494 4.261 1.00 0.00 C ATOM 581 CE1 HIS A 42 -3.414 -5.350 6.207 1.00 0.00 C ATOM 582 NE2 HIS A 42 -2.780 -6.208 5.395 1.00 0.00 N ATOM 0 H HIS A 42 -3.823 -1.315 1.720 1.00 0.00 H new ATOM 0 HA HIS A 42 -5.020 -3.539 3.250 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -2.526 -3.436 2.496 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -2.347 -2.259 3.782 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -1.964 -5.879 3.383 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -3.811 -5.627 7.172 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.575 -7.190 5.579 1.00 0.00 H new ATOM 590 N PRO A 43 -5.922 -2.027 5.080 1.00 0.00 N ATOM 591 CA PRO A 43 -6.423 -1.157 6.132 1.00 0.00 C ATOM 592 C PRO A 43 -5.455 -1.056 7.316 1.00 0.00 C ATOM 593 O PRO A 43 -5.592 -0.137 8.119 1.00 0.00 O ATOM 594 CB PRO A 43 -7.742 -1.793 6.578 1.00 0.00 C ATOM 595 CG PRO A 43 -7.465 -3.278 6.363 1.00 0.00 C ATOM 596 CD PRO A 43 -6.685 -3.269 5.052 1.00 0.00 C ATOM 0 HA PRO A 43 -6.546 -0.138 5.766 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.973 -1.567 7.619 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -8.585 -1.445 5.982 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -6.885 -3.707 7.180 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.385 -3.858 6.286 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.028 -4.135 4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.355 -3.302 4.193 1.00 0.00 H new ATOM 604 N ALA A 44 -4.474 -1.962 7.436 1.00 0.00 N ATOM 605 CA ALA A 44 -3.563 -1.971 8.574 1.00 0.00 C ATOM 606 C ALA A 44 -2.239 -1.284 8.248 1.00 0.00 C ATOM 607 O ALA A 44 -1.365 -1.220 9.111 1.00 0.00 O ATOM 608 CB ALA A 44 -3.313 -3.414 9.021 1.00 0.00 C ATOM 0 H ALA A 44 -4.296 -2.698 6.752 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.030 -1.410 9.384 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -2.632 -3.418 9.872 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.258 -3.874 9.310 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.871 -3.978 8.200 1.00 0.00 H new ATOM 614 N SER A 45 -2.069 -0.738 7.039 1.00 0.00 N ATOM 615 CA SER A 45 -0.863 -0.017 6.646 1.00 0.00 C ATOM 616 C SER A 45 -0.763 1.388 7.275 1.00 0.00 C ATOM 617 O SER A 45 -0.352 2.334 6.603 1.00 0.00 O ATOM 618 CB SER A 45 -0.747 -0.031 5.110 1.00 0.00 C ATOM 619 OG SER A 45 0.060 -1.107 4.677 1.00 0.00 O ATOM 0 H SER A 45 -2.773 -0.787 6.303 1.00 0.00 H new ATOM 0 HA SER A 45 0.007 -0.533 7.052 1.00 0.00 H new ATOM 0 HB2 SER A 45 -1.739 -0.114 4.667 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.321 0.911 4.764 1.00 0.00 H new ATOM 0 HG SER A 45 -0.151 -1.906 5.203 1.00 0.00 H new ATOM 625 N HIS A 46 -1.035 1.489 8.580 1.00 0.00 N ATOM 626 CA HIS A 46 -0.979 2.662 9.450 1.00 0.00 C ATOM 627 C HIS A 46 -1.258 4.008 8.760 1.00 0.00 C ATOM 628 O HIS A 46 -2.396 4.471 8.774 1.00 0.00 O ATOM 629 CB HIS A 46 0.328 2.640 10.263 1.00 0.00 C ATOM 630 CG HIS A 46 0.434 1.449 11.176 1.00 0.00 C ATOM 631 ND1 HIS A 46 0.081 1.523 12.521 1.00 0.00 N ATOM 632 CD2 HIS A 46 0.854 0.178 10.895 1.00 0.00 C ATOM 633 CE1 HIS A 46 0.289 0.291 12.996 1.00 0.00 C ATOM 634 NE2 HIS A 46 0.748 -0.554 12.059 1.00 0.00 N ATOM 0 H HIS A 46 -1.330 0.665 9.104 1.00 0.00 H new ATOM 0 HA HIS A 46 -1.820 2.584 10.139 1.00 0.00 H new ATOM 0 HB2 HIS A 46 1.176 2.642 9.578 1.00 0.00 H new ATOM 0 HB3 HIS A 46 0.396 3.552 10.856 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.203 -0.185 9.940 1.00 0.00 H new ATOM 0 HE1 HIS A 46 0.108 0.006 14.022 1.00 0.00 H new ATOM 0 HE2 HIS A 46 0.973 -1.541 12.183 1.00 0.00 H new ATOM 642 N LYS A 47 -0.240 4.661 8.190 1.00 0.00 N ATOM 643 CA LYS A 47 -0.304 5.950 7.540 1.00 0.00 C ATOM 644 C LYS A 47 0.914 6.035 6.620 1.00 0.00 C ATOM 645 O LYS A 47 1.621 5.036 6.465 1.00 0.00 O ATOM 646 CB LYS A 47 -0.340 7.044 8.613 1.00 0.00 C ATOM 647 CG LYS A 47 0.807 7.054 9.640 1.00 0.00 C ATOM 648 CD LYS A 47 2.104 7.691 9.119 1.00 0.00 C ATOM 649 CE LYS A 47 3.051 7.992 10.286 1.00 0.00 C ATOM 650 NZ LYS A 47 4.263 8.692 9.825 1.00 0.00 N ATOM 0 H LYS A 47 0.702 4.270 8.176 1.00 0.00 H new ATOM 0 HA LYS A 47 -1.202 6.085 6.938 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.353 8.011 8.110 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.281 6.955 9.157 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.481 7.593 10.529 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.015 6.029 9.947 1.00 0.00 H new ATOM 0 HD2 LYS A 47 2.589 7.019 8.411 1.00 0.00 H new ATOM 0 HD3 LYS A 47 1.875 8.610 8.580 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.536 8.603 11.027 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.331 7.061 10.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 4.929 8.792 10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 4.711 8.145 9.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.005 9.635 9.469 1.00 0.00 H new ATOM 664 N ILE A 48 1.177 7.197 6.018 1.00 0.00 N ATOM 665 CA ILE A 48 2.314 7.433 5.133 1.00 0.00 C ATOM 666 C ILE A 48 3.055 8.661 5.680 1.00 0.00 C ATOM 667 O ILE A 48 2.383 9.608 6.086 1.00 0.00 O ATOM 668 CB ILE A 48 1.810 7.684 3.694 1.00 0.00 C ATOM 669 CG1 ILE A 48 0.898 6.532 3.231 1.00 0.00 C ATOM 670 CG2 ILE A 48 2.982 7.869 2.716 1.00 0.00 C ATOM 671 CD1 ILE A 48 0.390 6.706 1.799 1.00 0.00 C ATOM 0 H ILE A 48 0.587 8.021 6.138 1.00 0.00 H new ATOM 0 HA ILE A 48 2.982 6.573 5.099 1.00 0.00 H new ATOM 0 HB ILE A 48 1.230 8.607 3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.445 5.592 3.304 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.045 6.458 3.906 1.00 0.00 H new ATOM 0 HG21 ILE A 48 2.594 8.044 1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 48 3.584 8.723 3.026 1.00 0.00 H new ATOM 0 HG23 ILE A 48 3.600 6.971 2.715 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -0.246 5.862 1.534 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -0.184 7.630 1.726 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.238 6.750 1.115 1.00 0.00 H new ATOM 683 N PRO A 49 4.398 8.691 5.700 1.00 0.00 N ATOM 684 CA PRO A 49 5.307 7.594 5.400 1.00 0.00 C ATOM 685 C PRO A 49 5.428 6.674 6.620 1.00 0.00 C ATOM 686 O PRO A 49 5.503 7.149 7.751 1.00 0.00 O ATOM 687 CB PRO A 49 6.646 8.271 5.098 1.00 0.00 C ATOM 688 CG PRO A 49 6.625 9.504 6.003 1.00 0.00 C ATOM 689 CD PRO A 49 5.146 9.895 6.028 1.00 0.00 C ATOM 0 HA PRO A 49 4.966 6.978 4.568 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.488 7.618 5.327 1.00 0.00 H new ATOM 0 HB3 PRO A 49 6.731 8.545 4.046 1.00 0.00 H new ATOM 0 HG2 PRO A 49 6.998 9.277 7.002 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.247 10.306 5.605 1.00 0.00 H new ATOM 0 HD2 PRO A 49 4.861 10.274 7.009 1.00 0.00 H new ATOM 0 HD3 PRO A 49 4.941 10.688 5.308 1.00 0.00 H new ATOM 697 N PHE A 50 5.462 5.360 6.405 1.00 0.00 N ATOM 698 CA PHE A 50 5.625 4.378 7.468 1.00 0.00 C ATOM 699 C PHE A 50 7.092 3.954 7.504 1.00 0.00 C ATOM 700 O PHE A 50 7.545 3.159 6.680 1.00 0.00 O ATOM 701 CB PHE A 50 4.707 3.182 7.221 1.00 0.00 C ATOM 702 CG PHE A 50 4.729 2.145 8.326 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.050 2.391 9.534 1.00 0.00 C ATOM 704 CD2 PHE A 50 5.453 0.950 8.163 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.051 1.423 10.553 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.441 -0.025 9.176 1.00 0.00 C ATOM 707 CZ PHE A 50 4.736 0.209 10.368 1.00 0.00 C ATOM 0 H PHE A 50 5.376 4.946 5.477 1.00 0.00 H new ATOM 0 HA PHE A 50 5.350 4.807 8.432 1.00 0.00 H new ATOM 0 HB2 PHE A 50 3.686 3.542 7.096 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.994 2.705 6.284 1.00 0.00 H new ATOM 0 HD1 PHE A 50 3.527 3.325 9.678 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.019 0.781 7.259 1.00 0.00 H new ATOM 0 HE1 PHE A 50 3.526 1.612 11.478 1.00 0.00 H new ATOM 0 HE2 PHE A 50 5.974 -0.954 9.037 1.00 0.00 H new ATOM 0 HZ PHE A 50 4.720 -0.544 11.143 1.00 0.00 H new ATOM 717 N SER A 51 7.846 4.501 8.457 1.00 0.00 N ATOM 718 CA SER A 51 9.260 4.232 8.633 1.00 0.00 C ATOM 719 C SER A 51 9.478 2.842 9.238 1.00 0.00 C ATOM 720 O SER A 51 9.956 2.729 10.366 1.00 0.00 O ATOM 721 CB SER A 51 9.828 5.338 9.527 1.00 0.00 C ATOM 722 OG SER A 51 9.036 5.432 10.695 1.00 0.00 O ATOM 0 H SER A 51 7.474 5.159 9.142 1.00 0.00 H new ATOM 0 HA SER A 51 9.777 4.232 7.673 1.00 0.00 H new ATOM 0 HB2 SER A 51 10.863 5.117 9.789 1.00 0.00 H new ATOM 0 HB3 SER A 51 9.830 6.289 8.995 1.00 0.00 H new ATOM 0 HG SER A 51 9.072 4.583 11.184 1.00 0.00 H new ATOM 728 N GLY A 52 9.126 1.791 8.500 1.00 0.00 N ATOM 729 CA GLY A 52 9.299 0.415 8.923 1.00 0.00 C ATOM 730 C GLY A 52 8.853 -0.522 7.810 1.00 0.00 C ATOM 731 O GLY A 52 8.345 -0.078 6.781 1.00 0.00 O ATOM 0 H GLY A 52 8.705 1.880 7.575 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.344 0.229 9.171 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.718 0.226 9.826 1.00 0.00 H new ATOM 735 N GLN A 53 9.046 -1.825 8.013 1.00 0.00 N ATOM 736 CA GLN A 53 8.639 -2.832 7.050 1.00 0.00 C ATOM 737 C GLN A 53 7.140 -3.043 7.239 1.00 0.00 C ATOM 738 O GLN A 53 6.712 -3.499 8.295 1.00 0.00 O ATOM 739 CB GLN A 53 9.421 -4.134 7.273 1.00 0.00 C ATOM 740 CG GLN A 53 10.875 -4.047 6.787 1.00 0.00 C ATOM 741 CD GLN A 53 11.678 -2.961 7.495 1.00 0.00 C ATOM 742 OE1 GLN A 53 11.985 -3.078 8.675 1.00 0.00 O ATOM 743 NE2 GLN A 53 12.000 -1.877 6.795 1.00 0.00 N ATOM 0 H GLN A 53 9.488 -2.205 8.850 1.00 0.00 H new ATOM 0 HA GLN A 53 8.850 -2.512 6.030 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.412 -4.380 8.335 1.00 0.00 H new ATOM 0 HB3 GLN A 53 8.917 -4.948 6.753 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.362 -5.010 6.942 1.00 0.00 H new ATOM 0 HG3 GLN A 53 10.882 -3.855 5.714 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.732 -1.805 5.813 1.00 0.00 H new ATOM 0 HE22 GLN A 53 12.515 -1.117 7.240 1.00 0.00 H new ATOM 752 N ARG A 54 6.335 -2.690 6.236 1.00 0.00 N ATOM 753 CA ARG A 54 4.886 -2.835 6.322 1.00 0.00 C ATOM 754 C ARG A 54 4.477 -4.307 6.375 1.00 0.00 C ATOM 755 O ARG A 54 3.452 -4.638 6.962 1.00 0.00 O ATOM 756 CB ARG A 54 4.207 -2.152 5.130 1.00 0.00 C ATOM 757 CG ARG A 54 4.471 -0.645 5.126 1.00 0.00 C ATOM 758 CD ARG A 54 3.822 -0.008 3.896 1.00 0.00 C ATOM 759 NE ARG A 54 3.800 1.458 3.998 1.00 0.00 N ATOM 760 CZ ARG A 54 2.849 2.137 4.653 1.00 0.00 C ATOM 761 NH1 ARG A 54 1.996 1.485 5.440 1.00 0.00 N ATOM 762 NH2 ARG A 54 2.745 3.456 4.545 1.00 0.00 N ATOM 0 H ARG A 54 6.666 -2.301 5.353 1.00 0.00 H new ATOM 0 HA ARG A 54 4.561 -2.354 7.245 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.573 -2.590 4.201 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.133 -2.335 5.167 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.071 -0.194 6.034 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.544 -0.455 5.122 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.369 -0.303 3.001 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.804 -0.382 3.786 1.00 0.00 H new ATOM 0 HE ARG A 54 4.547 1.986 3.547 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.068 0.473 5.542 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.270 1.998 5.941 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.397 3.972 3.954 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.013 3.953 5.053 1.00 0.00 H new ATOM 776 N MET A 55 5.258 -5.174 5.718 1.00 0.00 N ATOM 777 CA MET A 55 4.984 -6.604 5.607 1.00 0.00 C ATOM 778 C MET A 55 3.612 -6.847 4.957 1.00 0.00 C ATOM 779 O MET A 55 2.973 -7.868 5.197 1.00 0.00 O ATOM 780 CB MET A 55 5.128 -7.308 6.967 1.00 0.00 C ATOM 781 CG MET A 55 6.520 -7.103 7.581 1.00 0.00 C ATOM 782 SD MET A 55 6.796 -7.891 9.189 1.00 0.00 S ATOM 783 CE MET A 55 6.674 -9.636 8.736 1.00 0.00 C ATOM 0 H MET A 55 6.114 -4.891 5.241 1.00 0.00 H new ATOM 0 HA MET A 55 5.731 -7.049 4.950 1.00 0.00 H new ATOM 0 HB2 MET A 55 4.371 -6.928 7.653 1.00 0.00 H new ATOM 0 HB3 MET A 55 4.940 -8.375 6.844 1.00 0.00 H new ATOM 0 HG2 MET A 55 7.265 -7.480 6.880 1.00 0.00 H new ATOM 0 HG3 MET A 55 6.696 -6.032 7.687 1.00 0.00 H new ATOM 0 HE1 MET A 55 7.012 -10.253 9.569 1.00 0.00 H new ATOM 0 HE2 MET A 55 5.638 -9.879 8.501 1.00 0.00 H new ATOM 0 HE3 MET A 55 7.299 -9.830 7.864 1.00 0.00 H new ATOM 793 N HIS A 56 3.179 -5.909 4.106 1.00 0.00 N ATOM 794 CA HIS A 56 1.920 -5.939 3.378 1.00 0.00 C ATOM 795 C HIS A 56 2.232 -5.837 1.892 1.00 0.00 C ATOM 796 O HIS A 56 3.274 -5.292 1.516 1.00 0.00 O ATOM 797 CB HIS A 56 1.040 -4.752 3.791 1.00 0.00 C ATOM 798 CG HIS A 56 0.606 -4.762 5.233 1.00 0.00 C ATOM 799 ND1 HIS A 56 0.210 -3.587 5.869 1.00 0.00 N ATOM 800 CD2 HIS A 56 0.499 -5.805 6.116 1.00 0.00 C ATOM 801 CE1 HIS A 56 -0.050 -3.958 7.124 1.00 0.00 C ATOM 802 NE2 HIS A 56 0.105 -5.275 7.325 1.00 0.00 N ATOM 0 H HIS A 56 3.727 -5.073 3.902 1.00 0.00 H new ATOM 0 HA HIS A 56 1.387 -6.863 3.600 1.00 0.00 H new ATOM 0 HB2 HIS A 56 1.585 -3.828 3.596 1.00 0.00 H new ATOM 0 HB3 HIS A 56 0.152 -4.738 3.159 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.688 -6.847 5.904 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -0.354 -3.269 7.898 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -0.040 -5.782 8.198 1.00 0.00 H new ATOM 810 N HIS A 57 1.330 -6.359 1.056 1.00 0.00 N ATOM 811 CA HIS A 57 1.478 -6.309 -0.392 1.00 0.00 C ATOM 812 C HIS A 57 0.819 -5.070 -0.996 1.00 0.00 C ATOM 813 O HIS A 57 1.116 -4.708 -2.131 1.00 0.00 O ATOM 814 CB HIS A 57 0.997 -7.612 -1.054 1.00 0.00 C ATOM 815 CG HIS A 57 2.156 -8.232 -1.781 1.00 0.00 C ATOM 816 ND1 HIS A 57 2.774 -9.439 -1.607 1.00 0.00 N flip ATOM 817 CD2 HIS A 57 2.914 -7.464 -2.654 1.00 0.00 C flip ATOM 818 CE1 HIS A 57 4.009 -9.349 -2.211 1.00 0.00 C flip ATOM 819 NE2 HIS A 57 4.028 -8.162 -2.833 1.00 0.00 N flip ATOM 0 H HIS A 57 0.479 -6.827 1.369 1.00 0.00 H new ATOM 0 HA HIS A 57 2.543 -6.221 -0.604 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.610 -8.299 -0.301 1.00 0.00 H new ATOM 0 HB3 HIS A 57 0.181 -7.406 -1.747 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.655 -6.511 -3.090 1.00 0.00 H new ATOM 0 HE1 HIS A 57 4.800 -10.084 -2.188 1.00 0.00 H new ATOM 0 HE2 HIS A 57 4.817 -7.830 -3.387 1.00 0.00 H new ATOM 827 N THR A 58 -0.075 -4.414 -0.251 1.00 0.00 N ATOM 828 CA THR A 58 -0.772 -3.223 -0.701 1.00 0.00 C ATOM 829 C THR A 58 -0.673 -2.151 0.384 1.00 0.00 C ATOM 830 O THR A 58 -0.492 -2.462 1.560 1.00 0.00 O ATOM 831 CB THR A 58 -2.211 -3.583 -1.116 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.965 -4.104 -0.040 1.00 0.00 O ATOM 833 CG2 THR A 58 -2.171 -4.658 -2.207 1.00 0.00 C ATOM 0 H THR A 58 -0.333 -4.705 0.692 1.00 0.00 H new ATOM 0 HA THR A 58 -0.309 -2.803 -1.594 1.00 0.00 H new ATOM 0 HB THR A 58 -2.680 -2.664 -1.466 1.00 0.00 H new ATOM 0 HG1 THR A 58 -3.810 -4.467 -0.378 1.00 0.00 H new ATOM 0 HG21 THR A 58 -3.188 -4.915 -2.502 1.00 0.00 H new ATOM 0 HG22 THR A 58 -1.627 -4.279 -3.072 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.669 -5.547 -1.824 1.00 0.00 H new ATOM 841 N CYS A 59 -0.747 -0.885 -0.026 1.00 0.00 N ATOM 842 CA CYS A 59 -0.622 0.296 0.781 1.00 0.00 C ATOM 843 C CYS A 59 -2.011 0.834 1.119 1.00 0.00 C ATOM 844 O CYS A 59 -3.022 0.206 0.792 1.00 0.00 O ATOM 845 CB CYS A 59 0.095 1.293 -0.128 1.00 0.00 C ATOM 846 SG CYS A 59 1.641 0.820 -0.937 1.00 0.00 S ATOM 0 H CYS A 59 -0.908 -0.658 -1.007 1.00 0.00 H new ATOM 0 HA CYS A 59 -0.095 0.114 1.717 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.606 1.582 -0.911 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.298 2.185 0.464 1.00 0.00 H new ATOM 851 N PRO A 60 -2.075 1.990 1.791 1.00 0.00 N ATOM 852 CA PRO A 60 -3.305 2.726 1.975 1.00 0.00 C ATOM 853 C PRO A 60 -3.687 3.300 0.609 1.00 0.00 C ATOM 854 O PRO A 60 -2.922 3.216 -0.353 1.00 0.00 O ATOM 855 CB PRO A 60 -2.983 3.864 2.956 1.00 0.00 C ATOM 856 CG PRO A 60 -1.641 3.465 3.568 1.00 0.00 C ATOM 857 CD PRO A 60 -0.983 2.683 2.431 1.00 0.00 C ATOM 0 HA PRO A 60 -4.122 2.115 2.359 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.917 4.824 2.444 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.755 3.962 3.719 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.051 4.335 3.857 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.767 2.854 4.462 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -0.473 3.348 1.735 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -0.237 1.984 2.809 1.00 0.00 H new ATOM 865 N CYS A 61 -4.859 3.916 0.524 1.00 0.00 N ATOM 866 CA CYS A 61 -5.319 4.550 -0.702 1.00 0.00 C ATOM 867 C CYS A 61 -4.722 5.953 -0.790 1.00 0.00 C ATOM 868 O CYS A 61 -4.153 6.462 0.176 1.00 0.00 O ATOM 869 CB CYS A 61 -6.843 4.630 -0.680 1.00 0.00 C ATOM 870 SG CYS A 61 -7.667 3.047 -0.482 1.00 0.00 S ATOM 0 H CYS A 61 -5.515 3.989 1.302 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.003 3.970 -1.569 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.148 5.289 0.133 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.184 5.090 -1.608 1.00 0.00 H new ATOM 875 N ALA A 62 -4.854 6.583 -1.956 1.00 0.00 N ATOM 876 CA ALA A 62 -4.410 7.942 -2.193 1.00 0.00 C ATOM 877 C ALA A 62 -5.082 8.882 -1.178 1.00 0.00 C ATOM 878 O ALA A 62 -6.203 8.603 -0.751 1.00 0.00 O ATOM 879 CB ALA A 62 -4.756 8.329 -3.637 1.00 0.00 C ATOM 0 H ALA A 62 -5.282 6.149 -2.774 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.331 8.025 -2.062 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.427 9.350 -3.829 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -4.253 7.650 -4.326 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.834 8.262 -3.783 1.00 0.00 H new ATOM 885 N PRO A 63 -4.432 9.996 -0.800 1.00 0.00 N ATOM 886 CA PRO A 63 -4.939 10.963 0.165 1.00 0.00 C ATOM 887 C PRO A 63 -6.453 11.236 0.140 1.00 0.00 C ATOM 888 O PRO A 63 -7.042 11.371 1.210 1.00 0.00 O ATOM 889 CB PRO A 63 -4.084 12.217 -0.030 1.00 0.00 C ATOM 890 CG PRO A 63 -2.724 11.614 -0.388 1.00 0.00 C ATOM 891 CD PRO A 63 -3.073 10.355 -1.189 1.00 0.00 C ATOM 0 HA PRO A 63 -4.843 10.548 1.168 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.470 12.856 -0.824 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -4.037 12.825 0.874 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.123 12.307 -0.977 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.148 11.371 0.505 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.011 10.544 -2.261 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.377 9.546 -0.967 1.00 0.00 H new ATOM 899 N ASN A 64 -7.097 11.315 -1.037 1.00 0.00 N ATOM 900 CA ASN A 64 -8.543 11.522 -1.125 1.00 0.00 C ATOM 901 C ASN A 64 -9.246 10.240 -1.584 1.00 0.00 C ATOM 902 O ASN A 64 -9.982 10.238 -2.569 1.00 0.00 O ATOM 903 CB ASN A 64 -8.888 12.744 -1.994 1.00 0.00 C ATOM 904 CG ASN A 64 -10.306 13.242 -1.692 1.00 0.00 C ATOM 905 OD1 ASN A 64 -10.474 14.274 -1.051 1.00 0.00 O ATOM 906 ND2 ASN A 64 -11.320 12.500 -2.122 1.00 0.00 N ATOM 0 H ASN A 64 -6.632 11.238 -1.941 1.00 0.00 H new ATOM 0 HA ASN A 64 -8.921 11.750 -0.128 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.170 13.543 -1.808 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.807 12.481 -3.049 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.279 12.782 -1.922 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -11.139 11.648 -2.653 1.00 0.00 H new ATOM 913 N LEU A 65 -9.009 9.134 -0.879 1.00 0.00 N ATOM 914 CA LEU A 65 -9.685 7.861 -1.084 1.00 0.00 C ATOM 915 C LEU A 65 -9.749 7.160 0.274 1.00 0.00 C ATOM 916 O LEU A 65 -8.905 7.410 1.134 1.00 0.00 O ATOM 917 CB LEU A 65 -8.920 6.986 -2.083 1.00 0.00 C ATOM 918 CG LEU A 65 -9.003 7.403 -3.558 1.00 0.00 C ATOM 919 CD1 LEU A 65 -8.074 6.521 -4.393 1.00 0.00 C ATOM 920 CD2 LEU A 65 -10.418 7.230 -4.110 1.00 0.00 C ATOM 0 H LEU A 65 -8.320 9.102 -0.128 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.682 8.028 -1.492 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -7.870 6.971 -1.791 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.289 5.964 -1.995 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.715 8.453 -3.617 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.134 6.818 -5.440 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.049 6.637 -4.041 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.376 5.478 -4.294 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -10.440 7.535 -5.156 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -10.714 6.184 -4.030 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.110 7.848 -3.538 1.00 0.00 H new ATOM 932 N ALA A 66 -10.747 6.296 0.468 1.00 0.00 N ATOM 933 CA ALA A 66 -10.968 5.536 1.689 1.00 0.00 C ATOM 934 C ALA A 66 -10.815 4.047 1.388 1.00 0.00 C ATOM 935 O ALA A 66 -11.366 3.553 0.403 1.00 0.00 O ATOM 936 CB ALA A 66 -12.372 5.830 2.225 1.00 0.00 C ATOM 0 H ALA A 66 -11.446 6.103 -0.249 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.236 5.823 2.444 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.539 5.261 3.140 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.465 6.895 2.438 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.114 5.543 1.479 1.00 0.00 H new ATOM 942 N CYS A 67 -10.069 3.331 2.233 1.00 0.00 N ATOM 943 CA CYS A 67 -9.871 1.893 2.105 1.00 0.00 C ATOM 944 C CYS A 67 -11.059 1.189 2.759 1.00 0.00 C ATOM 945 O CYS A 67 -11.148 1.192 3.985 1.00 0.00 O ATOM 946 CB CYS A 67 -8.555 1.486 2.785 1.00 0.00 C ATOM 947 SG CYS A 67 -8.174 -0.260 2.563 1.00 0.00 S ATOM 0 H CYS A 67 -9.583 3.741 3.031 1.00 0.00 H new ATOM 0 HA CYS A 67 -9.809 1.607 1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.740 2.086 2.381 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.617 1.708 3.850 1.00 0.00 H new ATOM 952 N VAL A 68 -11.986 0.625 1.972 1.00 0.00 N ATOM 953 CA VAL A 68 -13.211 0.022 2.495 1.00 0.00 C ATOM 954 C VAL A 68 -13.390 -1.408 1.982 1.00 0.00 C ATOM 955 O VAL A 68 -12.904 -1.778 0.914 1.00 0.00 O ATOM 956 CB VAL A 68 -14.433 0.899 2.151 1.00 0.00 C ATOM 957 CG1 VAL A 68 -15.696 0.461 2.909 1.00 0.00 C ATOM 958 CG2 VAL A 68 -14.183 2.380 2.471 1.00 0.00 C ATOM 0 H VAL A 68 -11.904 0.576 0.956 1.00 0.00 H new ATOM 0 HA VAL A 68 -13.127 -0.033 3.580 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.587 0.770 1.080 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.529 1.108 2.633 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -15.937 -0.570 2.650 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -15.520 0.534 3.982 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.068 2.962 2.214 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -13.971 2.492 3.534 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.332 2.739 1.892 1.00 0.00 H new ATOM 968 N GLN A 69 -14.085 -2.226 2.772 1.00 0.00 N ATOM 969 CA GLN A 69 -14.412 -3.597 2.438 1.00 0.00 C ATOM 970 C GLN A 69 -15.364 -3.677 1.248 1.00 0.00 C ATOM 971 O GLN A 69 -16.361 -2.961 1.198 1.00 0.00 O ATOM 972 CB GLN A 69 -15.069 -4.256 3.659 1.00 0.00 C ATOM 973 CG GLN A 69 -14.035 -4.977 4.526 1.00 0.00 C ATOM 974 CD GLN A 69 -13.848 -6.409 4.034 1.00 0.00 C ATOM 975 OE1 GLN A 69 -14.728 -7.244 4.216 1.00 0.00 O ATOM 976 NE2 GLN A 69 -12.745 -6.706 3.356 1.00 0.00 N ATOM 0 H GLN A 69 -14.442 -1.939 3.683 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.493 -4.114 2.164 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -15.580 -3.498 4.253 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -15.827 -4.966 3.328 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -13.084 -4.445 4.491 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -14.360 -4.981 5.566 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -12.026 -5.996 3.216 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -12.617 -7.644 2.975 1.00 0.00 H new ATOM 985 N THR A 70 -15.055 -4.579 0.315 1.00 0.00 N ATOM 986 CA THR A 70 -15.920 -4.930 -0.805 1.00 0.00 C ATOM 987 C THR A 70 -16.531 -6.298 -0.490 1.00 0.00 C ATOM 988 O THR A 70 -17.728 -6.516 -0.671 1.00 0.00 O ATOM 989 CB THR A 70 -15.142 -4.906 -2.125 1.00 0.00 C ATOM 990 OG1 THR A 70 -14.003 -5.738 -2.068 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.696 -3.480 -2.460 1.00 0.00 C ATOM 0 H THR A 70 -14.176 -5.096 0.320 1.00 0.00 H new ATOM 0 HA THR A 70 -16.721 -4.202 -0.933 1.00 0.00 H new ATOM 0 HB THR A 70 -15.812 -5.276 -2.901 1.00 0.00 H new ATOM 0 HG1 THR A 70 -13.524 -5.580 -1.228 1.00 0.00 H new ATOM 0 HG21 THR A 70 -14.145 -3.483 -3.401 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.572 -2.838 -2.554 1.00 0.00 H new ATOM 0 HG23 THR A 70 -14.053 -3.103 -1.664 1.00 0.00 H new ATOM 999 N SER A 71 -15.707 -7.230 -0.005 1.00 0.00 N ATOM 1000 CA SER A 71 -16.110 -8.544 0.476 1.00 0.00 C ATOM 1001 C SER A 71 -15.030 -8.978 1.482 1.00 0.00 C ATOM 1002 O SER A 71 -13.984 -8.326 1.522 1.00 0.00 O ATOM 1003 CB SER A 71 -16.269 -9.519 -0.700 1.00 0.00 C ATOM 1004 OG SER A 71 -16.919 -8.907 -1.798 1.00 0.00 O ATOM 0 H SER A 71 -14.701 -7.079 0.064 1.00 0.00 H new ATOM 0 HA SER A 71 -17.083 -8.528 0.967 1.00 0.00 H new ATOM 0 HB2 SER A 71 -15.288 -9.878 -1.011 1.00 0.00 H new ATOM 0 HB3 SER A 71 -16.840 -10.390 -0.377 1.00 0.00 H new ATOM 0 HG SER A 71 -17.003 -9.553 -2.530 1.00 0.00 H new ATOM 1010 N PRO A 72 -15.239 -10.036 2.287 1.00 0.00 N ATOM 1011 CA PRO A 72 -14.279 -10.490 3.288 1.00 0.00 C ATOM 1012 C PRO A 72 -12.838 -10.469 2.772 1.00 0.00 C ATOM 1013 O PRO A 72 -12.569 -10.983 1.687 1.00 0.00 O ATOM 1014 CB PRO A 72 -14.740 -11.893 3.685 1.00 0.00 C ATOM 1015 CG PRO A 72 -16.257 -11.782 3.535 1.00 0.00 C ATOM 1016 CD PRO A 72 -16.404 -10.905 2.291 1.00 0.00 C ATOM 0 HA PRO A 72 -14.259 -9.822 4.149 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -14.320 -12.660 3.034 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -14.448 -12.145 4.704 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.724 -12.758 3.401 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -16.719 -11.325 4.410 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -16.444 -11.511 1.386 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -17.326 -10.325 2.327 1.00 0.00 H new ATOM 1024 N LYS A 73 -11.936 -9.808 3.508 1.00 0.00 N ATOM 1025 CA LYS A 73 -10.518 -9.622 3.184 1.00 0.00 C ATOM 1026 C LYS A 73 -10.300 -8.632 2.030 1.00 0.00 C ATOM 1027 O LYS A 73 -9.354 -7.846 2.060 1.00 0.00 O ATOM 1028 CB LYS A 73 -9.795 -10.956 2.930 1.00 0.00 C ATOM 1029 CG LYS A 73 -9.953 -11.932 4.106 1.00 0.00 C ATOM 1030 CD LYS A 73 -9.269 -13.281 3.843 1.00 0.00 C ATOM 1031 CE LYS A 73 -7.744 -13.159 3.734 1.00 0.00 C ATOM 1032 NZ LYS A 73 -7.108 -14.485 3.637 1.00 0.00 N ATOM 0 H LYS A 73 -12.190 -9.366 4.391 1.00 0.00 H new ATOM 0 HA LYS A 73 -10.066 -9.177 4.070 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -10.189 -11.415 2.023 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.736 -10.766 2.757 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -9.532 -11.484 5.006 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.013 -12.097 4.298 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -9.518 -13.973 4.648 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -9.662 -13.710 2.921 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -7.486 -12.564 2.858 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -7.356 -12.630 4.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -6.077 -14.371 3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -7.336 -15.042 4.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -7.462 -14.979 2.793 1.00 0.00 H new ATOM 1046 N LYS A 74 -11.163 -8.650 1.014 1.00 0.00 N ATOM 1047 CA LYS A 74 -11.088 -7.762 -0.131 1.00 0.00 C ATOM 1048 C LYS A 74 -11.390 -6.315 0.276 1.00 0.00 C ATOM 1049 O LYS A 74 -12.531 -5.853 0.203 1.00 0.00 O ATOM 1050 CB LYS A 74 -12.043 -8.252 -1.224 1.00 0.00 C ATOM 1051 CG LYS A 74 -11.603 -9.597 -1.810 1.00 0.00 C ATOM 1052 CD LYS A 74 -12.729 -10.147 -2.694 1.00 0.00 C ATOM 1053 CE LYS A 74 -12.198 -11.128 -3.745 1.00 0.00 C ATOM 1054 NZ LYS A 74 -11.524 -12.281 -3.121 1.00 0.00 N ATOM 0 H LYS A 74 -11.949 -9.299 0.970 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.073 -7.776 -0.528 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -13.047 -8.347 -0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -12.095 -7.509 -2.020 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -10.691 -9.473 -2.395 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -11.375 -10.300 -1.009 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -13.469 -10.648 -2.070 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -13.237 -9.321 -3.191 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -13.023 -11.480 -4.364 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.501 -10.612 -4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -11.298 -12.987 -3.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -10.646 -11.964 -2.663 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.152 -12.707 -2.409 1.00 0.00 H new ATOM 1068 N PHE A 75 -10.343 -5.589 0.663 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.389 -4.176 1.004 1.00 0.00 C ATOM 1070 C PHE A 75 -9.918 -3.417 -0.230 1.00 0.00 C ATOM 1071 O PHE A 75 -8.804 -3.653 -0.698 1.00 0.00 O ATOM 1072 CB PHE A 75 -9.438 -3.884 2.170 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.059 -4.016 3.543 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.609 -2.882 4.169 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -9.969 -5.229 4.247 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.070 -2.963 5.494 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -10.481 -5.326 5.552 1.00 0.00 C ATOM 1078 CZ PHE A 75 -11.029 -4.191 6.179 1.00 0.00 C ATOM 0 H PHE A 75 -9.408 -5.987 0.750 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.395 -3.880 1.301 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.587 -4.562 2.105 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -9.049 -2.872 2.058 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.677 -1.948 3.630 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.506 -6.088 3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.456 -2.083 5.986 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -10.454 -6.271 6.074 1.00 0.00 H new ATOM 0 HZ PHE A 75 -11.417 -4.263 7.184 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.762 -2.532 -0.769 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.447 -1.753 -1.959 1.00 0.00 C ATOM 1090 C LYS A 76 -10.703 -0.266 -1.723 1.00 0.00 C ATOM 1091 O LYS A 76 -11.363 0.126 -0.759 1.00 0.00 O ATOM 1092 CB LYS A 76 -11.194 -2.283 -3.194 1.00 0.00 C ATOM 1093 CG LYS A 76 -11.084 -3.809 -3.333 1.00 0.00 C ATOM 1094 CD LYS A 76 -11.301 -4.226 -4.793 1.00 0.00 C ATOM 1095 CE LYS A 76 -11.371 -5.747 -4.960 1.00 0.00 C ATOM 1096 NZ LYS A 76 -12.676 -6.286 -4.540 1.00 0.00 N ATOM 0 H LYS A 76 -11.687 -2.339 -0.386 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.383 -1.868 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.245 -2.001 -3.128 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.792 -1.809 -4.090 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.103 -4.142 -2.994 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.823 -4.294 -2.695 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.224 -3.780 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.489 -3.833 -5.405 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.190 -6.006 -6.003 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -10.580 -6.213 -4.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -12.628 -7.324 -4.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.915 -5.920 -3.596 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -13.407 -5.995 -5.220 1.00 0.00 H new ATOM 1110 N CYS A 77 -10.146 0.568 -2.599 1.00 0.00 N ATOM 1111 CA CYS A 77 -10.218 2.015 -2.475 1.00 0.00 C ATOM 1112 C CYS A 77 -11.481 2.587 -3.095 1.00 0.00 C ATOM 1113 O CYS A 77 -11.697 2.439 -4.298 1.00 0.00 O ATOM 1114 CB CYS A 77 -9.005 2.650 -3.146 1.00 0.00 C ATOM 1115 SG CYS A 77 -7.449 2.225 -2.370 1.00 0.00 S ATOM 0 H CYS A 77 -9.629 0.252 -3.420 1.00 0.00 H new ATOM 0 HA CYS A 77 -10.233 2.246 -1.410 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.976 2.341 -4.191 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -9.122 3.734 -3.137 1.00 0.00 H new ATOM 1120 N LEU A 78 -12.298 3.255 -2.279 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.496 3.963 -2.710 1.00 0.00 C ATOM 1122 C LEU A 78 -13.328 5.451 -2.376 1.00 0.00 C ATOM 1123 O LEU A 78 -12.308 5.856 -1.820 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.746 3.349 -2.057 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.174 1.968 -2.595 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -15.313 1.952 -4.124 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -14.274 0.812 -2.145 1.00 0.00 C ATOM 0 H LEU A 78 -12.137 3.318 -1.274 1.00 0.00 H new ATOM 0 HA LEU A 78 -13.633 3.866 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -14.567 3.261 -0.985 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -15.578 4.042 -2.186 1.00 0.00 H new ATOM 0 HG LEU A 78 -16.154 1.803 -2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.616 0.957 -4.451 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -16.066 2.679 -4.429 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.356 2.208 -4.579 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -14.644 -0.123 -2.567 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.255 0.988 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -14.282 0.747 -1.057 1.00 0.00 H new ATOM 1139 N SER A 79 -14.311 6.273 -2.753 1.00 0.00 N ATOM 1140 CA SER A 79 -14.325 7.717 -2.569 1.00 0.00 C ATOM 1141 C SER A 79 -14.091 8.163 -1.120 1.00 0.00 C ATOM 1142 O SER A 79 -14.213 7.373 -0.185 1.00 0.00 O ATOM 1143 CB SER A 79 -15.680 8.226 -3.070 1.00 0.00 C ATOM 1144 OG SER A 79 -16.065 7.484 -4.217 1.00 0.00 O ATOM 0 H SER A 79 -15.153 5.930 -3.215 1.00 0.00 H new ATOM 0 HA SER A 79 -13.495 8.141 -3.133 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.432 8.124 -2.287 1.00 0.00 H new ATOM 0 HB3 SER A 79 -15.616 9.286 -3.314 1.00 0.00 H new ATOM 0 HG SER A 79 -16.933 7.806 -4.539 1.00 0.00 H new ATOM 1150 N LYS A 80 -13.794 9.452 -0.947 1.00 0.00 N ATOM 1151 CA LYS A 80 -13.556 10.125 0.313 1.00 0.00 C ATOM 1152 C LYS A 80 -13.800 11.605 0.016 1.00 0.00 C ATOM 1153 O LYS A 80 -13.735 11.947 -1.190 1.00 0.00 O ATOM 1154 CB LYS A 80 -12.115 9.850 0.762 1.00 0.00 C ATOM 1155 CG LYS A 80 -11.701 10.626 2.017 1.00 0.00 C ATOM 1156 CD LYS A 80 -10.305 10.180 2.475 1.00 0.00 C ATOM 1157 CE LYS A 80 -9.732 11.115 3.543 1.00 0.00 C ATOM 1158 NZ LYS A 80 -10.585 11.168 4.743 1.00 0.00 N ATOM 1159 OXT LYS A 80 -14.052 12.357 0.980 1.00 0.00 O ATOM 0 H LYS A 80 -13.710 10.087 -1.741 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.202 9.785 1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -12.001 8.783 0.952 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -11.436 10.104 -0.052 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -11.700 11.696 1.809 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.425 10.457 2.814 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -10.359 9.166 2.871 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -9.633 10.152 1.618 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -8.734 10.778 3.822 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -9.626 12.118 3.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.113 11.730 5.480 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.496 11.608 4.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -10.749 10.203 5.095 1.00 0.00 H new TER 1173 LYS A 80