USER MOD reduce.3.24.130724 H: found=0, std=0, add=578, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 579 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 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 85 SER OG : rot 86:sc= -1.5! USER MOD Set 2.1: A 41 MET CE :methyl -108:sc= 0 (180deg=0) USER MOD Set 2.2: A 44 ASN : amide:sc= -9.32! C(o=-9.3!,f=-6.9!) USER MOD Single : A 11 SER OG : rot 180:sc= -0.492 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 ASN : amide:sc= -5.08! X(o=-5.1!,f=-4.8) USER MOD Single : A 23 THR OG1 : rot 87:sc= -3.94! USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot -101:sc= 0.736 USER MOD Single : A 40 MET CE :methyl 174:sc= 0 (180deg=-0.0185) USER MOD Single : A 42 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl -159:sc= -0.251 (180deg=-0.915) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 HIS : no HD1:sc= -9.29! C(o=-9.3!,f=-10!) USER MOD Single : A 65 ASN : amide:sc= -5.96! C(o=-6!,f=-5.2!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.16 USER MOD Single : A 69 SER OG : rot 180:sc= 0.00373 USER MOD Single : A 78 HIS : no HD1:sc= -14! C(o=-14!,f=-13!) USER MOD Single : A 79 GLN : amide:sc= -0.796 K(o=-0.8,f=-0.12) USER MOD Single : A 81 SER OG : rot -60:sc= -2.81! USER MOD Single : A 83 ASN : amide:sc= -0.436 X(o=-0.44,f=-0.57) USER MOD ----------------------------------------------------------------- ATOM 15 N ASP A 4 -7.806 25.178 -8.190 1.00 0.00 N ATOM 16 CA ASP A 4 -6.669 24.479 -8.771 1.00 0.00 C ATOM 17 C ASP A 4 -5.361 24.963 -8.155 1.00 0.00 C ATOM 18 O ASP A 4 -4.716 25.872 -8.676 1.00 0.00 O ATOM 19 CB ASP A 4 -6.639 24.679 -10.287 1.00 0.00 C ATOM 20 CG ASP A 4 -5.585 23.823 -10.963 1.00 0.00 C ATOM 21 OD1 ASP A 4 -5.371 22.679 -10.511 1.00 0.00 O ATOM 22 OD2 ASP A 4 -4.972 24.298 -11.942 1.00 0.00 O ATOM 0 HA ASP A 4 -6.779 23.416 -8.556 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -7.618 24.440 -10.702 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -6.447 25.729 -10.508 1.00 0.00 H new ATOM 27 N ILE A 5 -4.976 24.350 -7.040 1.00 0.00 N ATOM 28 CA ILE A 5 -3.748 24.717 -6.350 1.00 0.00 C ATOM 29 C ILE A 5 -2.580 23.845 -6.814 1.00 0.00 C ATOM 30 O ILE A 5 -2.673 23.161 -7.833 1.00 0.00 O ATOM 31 CB ILE A 5 -3.928 24.622 -4.812 1.00 0.00 C ATOM 32 CG1 ILE A 5 -3.293 25.836 -4.133 1.00 0.00 C ATOM 33 CG2 ILE A 5 -3.354 23.328 -4.246 1.00 0.00 C ATOM 34 CD1 ILE A 5 -3.730 27.153 -4.736 1.00 0.00 C ATOM 0 H ILE A 5 -5.499 23.596 -6.596 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.518 25.753 -6.601 1.00 0.00 H new ATOM 0 HB ILE A 5 -4.998 24.614 -4.604 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -3.549 25.826 -3.073 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.208 25.755 -4.200 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -3.503 23.306 -3.166 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.860 22.476 -4.700 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.288 23.276 -4.466 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.244 27.974 -4.209 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.450 27.182 -5.789 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.812 27.254 -4.645 1.00 0.00 H new ATOM 46 N ASP A 6 -1.483 23.873 -6.064 1.00 0.00 N ATOM 47 CA ASP A 6 -0.305 23.084 -6.407 1.00 0.00 C ATOM 48 C ASP A 6 -0.427 21.662 -5.873 1.00 0.00 C ATOM 49 O ASP A 6 -0.230 20.692 -6.606 1.00 0.00 O ATOM 50 CB ASP A 6 0.958 23.740 -5.846 1.00 0.00 C ATOM 51 CG ASP A 6 2.200 22.902 -6.087 1.00 0.00 C ATOM 52 OD1 ASP A 6 2.138 21.671 -5.880 1.00 0.00 O ATOM 53 OD2 ASP A 6 3.236 23.478 -6.482 1.00 0.00 O ATOM 0 H ASP A 6 -1.385 24.432 -5.217 1.00 0.00 H new ATOM 0 HA ASP A 6 -0.234 23.042 -7.494 1.00 0.00 H new ATOM 0 HB2 ASP A 6 1.090 24.720 -6.304 1.00 0.00 H new ATOM 0 HB3 ASP A 6 0.835 23.903 -4.775 1.00 0.00 H new ATOM 58 N GLU A 7 -0.743 21.550 -4.592 1.00 0.00 N ATOM 59 CA GLU A 7 -0.884 20.252 -3.945 1.00 0.00 C ATOM 60 C GLU A 7 0.481 19.611 -3.725 1.00 0.00 C ATOM 61 O GLU A 7 0.848 19.278 -2.599 1.00 0.00 O ATOM 62 CB GLU A 7 -1.759 19.319 -4.783 1.00 0.00 C ATOM 63 CG GLU A 7 -3.119 19.898 -5.147 1.00 0.00 C ATOM 64 CD GLU A 7 -3.139 20.510 -6.534 1.00 0.00 C ATOM 65 OE1 GLU A 7 -2.414 20.005 -7.417 1.00 0.00 O ATOM 66 OE2 GLU A 7 -3.883 21.492 -6.740 1.00 0.00 O ATOM 0 H GLU A 7 -0.908 22.346 -3.976 1.00 0.00 H new ATOM 0 HA GLU A 7 -1.363 20.412 -2.979 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -1.227 19.067 -5.700 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -1.908 18.389 -4.235 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -3.872 19.112 -5.090 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -3.395 20.657 -4.415 1.00 0.00 H new ATOM 73 N CYS A 8 1.231 19.442 -4.811 1.00 0.00 N ATOM 74 CA CYS A 8 2.557 18.840 -4.737 1.00 0.00 C ATOM 75 C CYS A 8 3.502 19.721 -3.929 1.00 0.00 C ATOM 76 O CYS A 8 4.544 19.265 -3.461 1.00 0.00 O ATOM 77 CB CYS A 8 3.119 18.616 -6.141 1.00 0.00 C ATOM 78 SG CYS A 8 4.857 18.068 -6.171 1.00 0.00 S ATOM 0 H CYS A 8 0.943 19.713 -5.751 1.00 0.00 H new ATOM 0 HA CYS A 8 2.468 17.876 -4.236 1.00 0.00 H new ATOM 0 HB2 CYS A 8 2.506 17.873 -6.651 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.032 19.543 -6.707 1.00 0.00 H new ATOM 83 N ARG A 9 3.125 20.985 -3.766 1.00 0.00 N ATOM 84 CA ARG A 9 3.936 21.929 -3.010 1.00 0.00 C ATOM 85 C ARG A 9 3.777 21.692 -1.513 1.00 0.00 C ATOM 86 O ARG A 9 4.725 21.859 -0.745 1.00 0.00 O ATOM 87 CB ARG A 9 3.544 23.367 -3.358 1.00 0.00 C ATOM 88 CG ARG A 9 4.515 24.050 -4.306 1.00 0.00 C ATOM 89 CD ARG A 9 5.659 24.709 -3.552 1.00 0.00 C ATOM 90 NE ARG A 9 5.501 26.159 -3.476 1.00 0.00 N ATOM 91 CZ ARG A 9 6.152 26.926 -2.609 1.00 0.00 C ATOM 92 NH1 ARG A 9 7.001 26.383 -1.747 1.00 0.00 N ATOM 93 NH2 ARG A 9 5.955 28.237 -2.601 1.00 0.00 N ATOM 0 H ARG A 9 2.264 21.378 -4.147 1.00 0.00 H new ATOM 0 HA ARG A 9 4.981 21.774 -3.279 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.551 23.365 -3.808 1.00 0.00 H new ATOM 0 HB3 ARG A 9 3.477 23.949 -2.439 1.00 0.00 H new ATOM 0 HG2 ARG A 9 4.914 23.319 -5.009 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.985 24.800 -4.893 1.00 0.00 H new ATOM 0 HD2 ARG A 9 5.714 24.297 -2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 9 6.602 24.472 -4.045 1.00 0.00 H new ATOM 0 HE ARG A 9 4.855 26.608 -4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 9 7.155 25.375 -1.749 1.00 0.00 H new ATOM 0 HH12 ARG A 9 7.500 26.974 -1.082 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.302 28.659 -3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 9 6.456 28.824 -1.934 1.00 0.00 H new ATOM 107 N ILE A 10 2.577 21.291 -1.105 1.00 0.00 N ATOM 108 CA ILE A 10 2.304 21.020 0.296 1.00 0.00 C ATOM 109 C ILE A 10 3.448 20.238 0.923 1.00 0.00 C ATOM 110 O ILE A 10 3.809 20.454 2.079 1.00 0.00 O ATOM 111 CB ILE A 10 0.996 20.232 0.451 1.00 0.00 C ATOM 112 CG1 ILE A 10 -0.184 21.170 0.229 1.00 0.00 C ATOM 113 CG2 ILE A 10 0.916 19.571 1.821 1.00 0.00 C ATOM 114 CD1 ILE A 10 -1.515 20.497 0.400 1.00 0.00 C ATOM 0 H ILE A 10 1.781 21.148 -1.726 1.00 0.00 H new ATOM 0 HA ILE A 10 2.204 21.977 0.809 1.00 0.00 H new ATOM 0 HB ILE A 10 0.967 19.438 -0.295 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.113 22.004 0.927 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.123 21.589 -0.775 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -0.020 19.019 1.905 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.754 18.885 1.943 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.957 20.336 2.597 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -2.313 21.220 0.228 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.605 19.681 -0.317 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -1.595 20.102 1.413 1.00 0.00 H new ATOM 126 N SER A 11 4.014 19.328 0.142 1.00 0.00 N ATOM 127 CA SER A 11 5.119 18.503 0.602 1.00 0.00 C ATOM 128 C SER A 11 5.852 17.877 -0.580 1.00 0.00 C ATOM 129 O SER A 11 5.261 17.647 -1.635 1.00 0.00 O ATOM 130 CB SER A 11 4.606 17.409 1.538 1.00 0.00 C ATOM 131 OG SER A 11 5.595 16.417 1.756 1.00 0.00 O ATOM 0 H SER A 11 3.723 19.143 -0.818 1.00 0.00 H new ATOM 0 HA SER A 11 5.818 19.138 1.146 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.313 17.850 2.491 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.714 16.950 1.111 1.00 0.00 H new ATOM 0 HG SER A 11 5.242 15.730 2.359 1.00 0.00 H new ATOM 137 N PRO A 12 7.150 17.589 -0.416 1.00 0.00 N ATOM 138 CA PRO A 12 7.968 16.986 -1.457 1.00 0.00 C ATOM 139 C PRO A 12 7.849 15.469 -1.450 1.00 0.00 C ATOM 140 O PRO A 12 8.185 14.799 -2.426 1.00 0.00 O ATOM 141 CB PRO A 12 9.396 17.409 -1.086 1.00 0.00 C ATOM 142 CG PRO A 12 9.302 18.102 0.244 1.00 0.00 C ATOM 143 CD PRO A 12 7.932 17.816 0.794 1.00 0.00 C ATOM 0 HA PRO A 12 7.667 17.304 -2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 12 10.055 16.542 -1.027 1.00 0.00 H new ATOM 0 HB3 PRO A 12 9.813 18.075 -1.842 1.00 0.00 H new ATOM 0 HG2 PRO A 12 10.073 17.739 0.923 1.00 0.00 H new ATOM 0 HG3 PRO A 12 9.456 19.175 0.131 1.00 0.00 H new ATOM 0 HD2 PRO A 12 7.931 16.944 1.448 1.00 0.00 H new ATOM 0 HD3 PRO A 12 7.545 18.652 1.377 1.00 0.00 H new ATOM 151 N ASP A 13 7.361 14.938 -0.334 1.00 0.00 N ATOM 152 CA ASP A 13 7.185 13.500 -0.182 1.00 0.00 C ATOM 153 C ASP A 13 5.704 13.151 -0.159 1.00 0.00 C ATOM 154 O ASP A 13 5.307 12.108 0.360 1.00 0.00 O ATOM 155 CB ASP A 13 7.859 13.013 1.102 1.00 0.00 C ATOM 156 CG ASP A 13 8.807 11.856 0.853 1.00 0.00 C ATOM 157 OD1 ASP A 13 8.367 10.842 0.272 1.00 0.00 O ATOM 158 OD2 ASP A 13 9.990 11.965 1.239 1.00 0.00 O ATOM 0 H ASP A 13 7.080 15.484 0.480 1.00 0.00 H new ATOM 0 HA ASP A 13 7.652 13.002 -1.032 1.00 0.00 H new ATOM 0 HB2 ASP A 13 8.408 13.838 1.557 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.095 12.706 1.817 1.00 0.00 H new ATOM 163 N LEU A 14 4.892 14.039 -0.720 1.00 0.00 N ATOM 164 CA LEU A 14 3.448 13.836 -0.767 1.00 0.00 C ATOM 165 C LEU A 14 3.106 12.402 -1.158 1.00 0.00 C ATOM 166 O LEU A 14 2.226 11.779 -0.565 1.00 0.00 O ATOM 167 CB LEU A 14 2.809 14.809 -1.758 1.00 0.00 C ATOM 168 CG LEU A 14 1.683 15.671 -1.187 1.00 0.00 C ATOM 169 CD1 LEU A 14 1.834 17.111 -1.647 1.00 0.00 C ATOM 170 CD2 LEU A 14 0.326 15.121 -1.600 1.00 0.00 C ATOM 0 H LEU A 14 5.209 14.908 -1.150 1.00 0.00 H new ATOM 0 HA LEU A 14 3.051 14.024 0.230 1.00 0.00 H new ATOM 0 HB2 LEU A 14 3.585 15.466 -2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.418 14.240 -2.601 1.00 0.00 H new ATOM 0 HG LEU A 14 1.747 15.645 -0.099 1.00 0.00 H new ATOM 0 HD11 LEU A 14 1.025 17.712 -1.232 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.791 17.504 -1.304 1.00 0.00 H new ATOM 0 HD13 LEU A 14 1.795 17.151 -2.736 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.463 15.748 -1.184 1.00 0.00 H new ATOM 0 HD22 LEU A 14 0.251 15.117 -2.687 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.216 14.103 -1.225 1.00 0.00 H new ATOM 182 N CYS A 15 3.803 11.891 -2.165 1.00 0.00 N ATOM 183 CA CYS A 15 3.572 10.534 -2.647 1.00 0.00 C ATOM 184 C CYS A 15 4.338 9.514 -1.813 1.00 0.00 C ATOM 185 O CYS A 15 4.436 8.346 -2.180 1.00 0.00 O ATOM 186 CB CYS A 15 3.986 10.422 -4.113 1.00 0.00 C ATOM 187 SG CYS A 15 3.784 11.966 -5.054 1.00 0.00 S ATOM 0 H CYS A 15 4.534 12.396 -2.665 1.00 0.00 H new ATOM 0 HA CYS A 15 2.507 10.319 -2.553 1.00 0.00 H new ATOM 0 HB2 CYS A 15 5.029 10.111 -4.163 1.00 0.00 H new ATOM 0 HB3 CYS A 15 3.396 9.638 -4.588 1.00 0.00 H new ATOM 192 N GLY A 16 4.873 9.963 -0.685 1.00 0.00 N ATOM 193 CA GLY A 16 5.621 9.082 0.199 1.00 0.00 C ATOM 194 C GLY A 16 6.738 8.313 -0.495 1.00 0.00 C ATOM 195 O GLY A 16 7.315 7.401 0.097 1.00 0.00 O ATOM 0 H GLY A 16 4.803 10.928 -0.362 1.00 0.00 H new ATOM 0 HA2 GLY A 16 6.049 9.674 1.008 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.932 8.371 0.654 1.00 0.00 H new ATOM 199 N ARG A 17 7.057 8.683 -1.736 1.00 0.00 N ATOM 200 CA ARG A 17 8.119 8.019 -2.492 1.00 0.00 C ATOM 201 C ARG A 17 8.154 8.518 -3.933 1.00 0.00 C ATOM 202 O ARG A 17 9.185 8.987 -4.415 1.00 0.00 O ATOM 203 CB ARG A 17 7.937 6.495 -2.485 1.00 0.00 C ATOM 204 CG ARG A 17 9.238 5.736 -2.682 1.00 0.00 C ATOM 205 CD ARG A 17 10.307 6.200 -1.707 1.00 0.00 C ATOM 206 NE ARG A 17 11.411 6.874 -2.385 1.00 0.00 N ATOM 207 CZ ARG A 17 12.315 7.619 -1.758 1.00 0.00 C ATOM 208 NH1 ARG A 17 12.246 7.783 -0.444 1.00 0.00 N ATOM 209 NH2 ARG A 17 13.291 8.199 -2.444 1.00 0.00 N ATOM 0 H ARG A 17 6.594 9.440 -2.239 1.00 0.00 H new ATOM 0 HA ARG A 17 9.063 8.263 -2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 17 7.488 6.194 -1.539 1.00 0.00 H new ATOM 0 HB3 ARG A 17 7.238 6.215 -3.273 1.00 0.00 H new ATOM 0 HG2 ARG A 17 9.061 4.669 -2.549 1.00 0.00 H new ATOM 0 HG3 ARG A 17 9.591 5.876 -3.704 1.00 0.00 H new ATOM 0 HD2 ARG A 17 9.863 6.877 -0.977 1.00 0.00 H new ATOM 0 HD3 ARG A 17 10.691 5.342 -1.154 1.00 0.00 H new ATOM 0 HE ARG A 17 11.493 6.767 -3.396 1.00 0.00 H new ATOM 0 HH11 ARG A 17 11.498 7.337 0.087 1.00 0.00 H new ATOM 0 HH12 ARG A 17 12.941 8.355 0.036 1.00 0.00 H new ATOM 0 HH21 ARG A 17 13.348 8.073 -3.455 1.00 0.00 H new ATOM 0 HH22 ARG A 17 13.984 8.771 -1.961 1.00 0.00 H new ATOM 223 N GLY A 18 7.020 8.407 -4.615 1.00 0.00 N ATOM 224 CA GLY A 18 6.936 8.841 -5.997 1.00 0.00 C ATOM 225 C GLY A 18 7.125 10.336 -6.160 1.00 0.00 C ATOM 226 O GLY A 18 7.897 10.957 -5.429 1.00 0.00 O ATOM 0 H GLY A 18 6.155 8.023 -4.234 1.00 0.00 H new ATOM 0 HA2 GLY A 18 7.692 8.319 -6.583 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.965 8.556 -6.403 1.00 0.00 H new ATOM 230 N GLN A 19 6.421 10.911 -7.130 1.00 0.00 N ATOM 231 CA GLN A 19 6.512 12.340 -7.404 1.00 0.00 C ATOM 232 C GLN A 19 5.125 12.964 -7.521 1.00 0.00 C ATOM 233 O GLN A 19 4.302 12.520 -8.322 1.00 0.00 O ATOM 234 CB GLN A 19 7.297 12.571 -8.695 1.00 0.00 C ATOM 235 CG GLN A 19 8.590 11.778 -8.767 1.00 0.00 C ATOM 236 CD GLN A 19 9.765 12.618 -9.227 1.00 0.00 C ATOM 237 OE1 GLN A 19 10.558 13.096 -8.416 1.00 0.00 O ATOM 238 NE2 GLN A 19 9.881 12.805 -10.537 1.00 0.00 N ATOM 0 H GLN A 19 5.779 10.406 -7.741 1.00 0.00 H new ATOM 0 HA GLN A 19 7.031 12.816 -6.572 1.00 0.00 H new ATOM 0 HB2 GLN A 19 6.669 12.305 -9.545 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.525 13.633 -8.787 1.00 0.00 H new ATOM 0 HG2 GLN A 19 8.810 11.359 -7.785 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.459 10.938 -9.450 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.201 12.390 -11.174 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.650 13.364 -10.906 1.00 0.00 H new ATOM 247 N CYS A 20 4.869 13.992 -6.717 1.00 0.00 N ATOM 248 CA CYS A 20 3.577 14.669 -6.732 1.00 0.00 C ATOM 249 C CYS A 20 3.436 15.565 -7.960 1.00 0.00 C ATOM 250 O CYS A 20 4.317 16.371 -8.259 1.00 0.00 O ATOM 251 CB CYS A 20 3.396 15.501 -5.460 1.00 0.00 C ATOM 252 SG CYS A 20 4.879 16.436 -4.963 1.00 0.00 S ATOM 0 H CYS A 20 5.538 14.374 -6.048 1.00 0.00 H new ATOM 0 HA CYS A 20 2.802 13.904 -6.774 1.00 0.00 H new ATOM 0 HB2 CYS A 20 2.573 16.200 -5.610 1.00 0.00 H new ATOM 0 HB3 CYS A 20 3.107 14.839 -4.644 1.00 0.00 H new ATOM 257 N VAL A 21 2.315 15.422 -8.661 1.00 0.00 N ATOM 258 CA VAL A 21 2.047 16.221 -9.851 1.00 0.00 C ATOM 259 C VAL A 21 0.811 17.092 -9.647 1.00 0.00 C ATOM 260 O VAL A 21 0.008 16.840 -8.752 1.00 0.00 O ATOM 261 CB VAL A 21 1.843 15.334 -11.094 1.00 0.00 C ATOM 262 CG1 VAL A 21 1.254 16.145 -12.242 1.00 0.00 C ATOM 263 CG2 VAL A 21 3.155 14.687 -11.508 1.00 0.00 C ATOM 0 H VAL A 21 1.577 14.759 -8.424 1.00 0.00 H new ATOM 0 HA VAL A 21 2.918 16.856 -10.015 1.00 0.00 H new ATOM 0 HB VAL A 21 1.137 14.543 -10.840 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.118 15.500 -13.110 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.291 16.556 -11.940 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.932 16.959 -12.498 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.992 14.064 -12.388 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.885 15.462 -11.742 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.530 14.070 -10.691 1.00 0.00 H new ATOM 273 N ASN A 22 0.668 18.117 -10.479 1.00 0.00 N ATOM 274 CA ASN A 22 -0.467 19.027 -10.380 1.00 0.00 C ATOM 275 C ASN A 22 -1.608 18.600 -11.299 1.00 0.00 C ATOM 276 O ASN A 22 -1.380 18.034 -12.368 1.00 0.00 O ATOM 277 CB ASN A 22 -0.036 20.452 -10.724 1.00 0.00 C ATOM 278 CG ASN A 22 -0.937 21.491 -10.093 1.00 0.00 C ATOM 279 OD1 ASN A 22 -1.547 22.306 -10.785 1.00 0.00 O ATOM 280 ND2 ASN A 22 -1.028 21.465 -8.770 1.00 0.00 N ATOM 0 H ASN A 22 1.323 18.339 -11.229 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.826 18.994 -9.351 1.00 0.00 H new ATOM 0 HB2 ASN A 22 0.989 20.611 -10.388 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -0.040 20.579 -11.807 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -1.622 22.139 -8.286 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.504 20.771 -8.236 1.00 0.00 H new ATOM 287 N THR A 23 -2.838 18.885 -10.875 1.00 0.00 N ATOM 288 CA THR A 23 -4.017 18.540 -11.660 1.00 0.00 C ATOM 289 C THR A 23 -5.167 19.494 -11.358 1.00 0.00 C ATOM 290 O THR A 23 -5.287 20.003 -10.243 1.00 0.00 O ATOM 291 CB THR A 23 -4.476 17.095 -11.385 1.00 0.00 C ATOM 292 OG1 THR A 23 -5.218 17.041 -10.161 1.00 0.00 O ATOM 293 CG2 THR A 23 -3.284 16.155 -11.302 1.00 0.00 C ATOM 0 H THR A 23 -3.042 19.354 -9.992 1.00 0.00 H new ATOM 0 HA THR A 23 -3.738 18.626 -12.710 1.00 0.00 H new ATOM 0 HB THR A 23 -5.113 16.777 -12.210 1.00 0.00 H new ATOM 0 HG1 THR A 23 -6.161 17.237 -10.341 1.00 0.00 H new ATOM 0 HG21 THR A 23 -3.633 15.141 -11.107 1.00 0.00 H new ATOM 0 HG22 THR A 23 -2.738 16.176 -12.245 1.00 0.00 H new ATOM 0 HG23 THR A 23 -2.625 16.473 -10.494 1.00 0.00 H new ATOM 301 N PRO A 24 -6.032 19.747 -12.350 1.00 0.00 N ATOM 302 CA PRO A 24 -7.181 20.641 -12.192 1.00 0.00 C ATOM 303 C PRO A 24 -7.992 20.311 -10.946 1.00 0.00 C ATOM 304 O PRO A 24 -8.633 19.262 -10.870 1.00 0.00 O ATOM 305 CB PRO A 24 -8.016 20.402 -13.460 1.00 0.00 C ATOM 306 CG PRO A 24 -7.404 19.216 -14.134 1.00 0.00 C ATOM 307 CD PRO A 24 -5.968 19.180 -13.699 1.00 0.00 C ATOM 0 HA PRO A 24 -6.873 21.680 -12.071 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.060 20.214 -13.211 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.996 21.276 -14.112 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -7.919 18.298 -13.850 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -7.480 19.302 -15.218 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -5.571 18.165 -13.694 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -5.330 19.769 -14.357 1.00 0.00 H new ATOM 315 N GLY A 25 -7.955 21.208 -9.965 1.00 0.00 N ATOM 316 CA GLY A 25 -8.686 20.984 -8.733 1.00 0.00 C ATOM 317 C GLY A 25 -8.306 19.671 -8.082 1.00 0.00 C ATOM 318 O GLY A 25 -9.169 18.922 -7.625 1.00 0.00 O ATOM 0 H GLY A 25 -7.433 22.083 -10.002 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -8.490 21.803 -8.041 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -9.756 20.991 -8.940 1.00 0.00 H new ATOM 322 N ASP A 26 -7.009 19.392 -8.050 1.00 0.00 N ATOM 323 CA ASP A 26 -6.504 18.160 -7.461 1.00 0.00 C ATOM 324 C ASP A 26 -5.023 17.981 -7.775 1.00 0.00 C ATOM 325 O ASP A 26 -4.343 18.927 -8.177 1.00 0.00 O ATOM 326 CB ASP A 26 -7.295 16.961 -7.979 1.00 0.00 C ATOM 327 CG ASP A 26 -8.043 16.240 -6.875 1.00 0.00 C ATOM 328 OD1 ASP A 26 -7.382 15.608 -6.025 1.00 0.00 O ATOM 329 OD2 ASP A 26 -9.290 16.307 -6.861 1.00 0.00 O ATOM 0 H ASP A 26 -6.286 20.005 -8.427 1.00 0.00 H new ATOM 0 HA ASP A 26 -6.625 18.224 -6.380 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.005 17.297 -8.735 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -6.614 16.264 -8.468 1.00 0.00 H new ATOM 334 N PHE A 27 -4.527 16.765 -7.590 1.00 0.00 N ATOM 335 CA PHE A 27 -3.126 16.469 -7.849 1.00 0.00 C ATOM 336 C PHE A 27 -2.878 14.964 -7.884 1.00 0.00 C ATOM 337 O PHE A 27 -3.493 14.207 -7.134 1.00 0.00 O ATOM 338 CB PHE A 27 -2.254 17.117 -6.775 1.00 0.00 C ATOM 339 CG PHE A 27 -2.211 16.342 -5.491 1.00 0.00 C ATOM 340 CD1 PHE A 27 -3.212 16.492 -4.544 1.00 0.00 C ATOM 341 CD2 PHE A 27 -1.173 15.465 -5.230 1.00 0.00 C ATOM 342 CE1 PHE A 27 -3.176 15.781 -3.360 1.00 0.00 C ATOM 343 CE2 PHE A 27 -1.131 14.750 -4.048 1.00 0.00 C ATOM 344 CZ PHE A 27 -2.134 14.909 -3.112 1.00 0.00 C ATOM 0 H PHE A 27 -5.074 15.969 -7.262 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.865 16.877 -8.825 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -1.240 17.226 -7.159 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -2.627 18.121 -6.572 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.029 17.172 -4.734 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -0.386 15.338 -5.959 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -3.961 15.907 -2.629 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.315 14.068 -3.857 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.104 14.352 -2.187 1.00 0.00 H new ATOM 354 N GLU A 28 -1.970 14.541 -8.756 1.00 0.00 N ATOM 355 CA GLU A 28 -1.633 13.129 -8.885 1.00 0.00 C ATOM 356 C GLU A 28 -0.228 12.867 -8.353 1.00 0.00 C ATOM 357 O GLU A 28 0.363 13.726 -7.699 1.00 0.00 O ATOM 358 CB GLU A 28 -1.739 12.685 -10.347 1.00 0.00 C ATOM 359 CG GLU A 28 -0.902 13.520 -11.303 1.00 0.00 C ATOM 360 CD GLU A 28 -1.487 13.568 -12.700 1.00 0.00 C ATOM 361 OE1 GLU A 28 -2.662 13.971 -12.838 1.00 0.00 O ATOM 362 OE2 GLU A 28 -0.772 13.203 -13.657 1.00 0.00 O ATOM 0 H GLU A 28 -1.454 15.157 -9.384 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.342 12.550 -8.294 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.430 11.642 -10.424 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.783 12.732 -10.657 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -0.816 14.535 -10.914 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.107 13.110 -11.349 1.00 0.00 H new ATOM 369 N CYS A 29 0.303 11.681 -8.627 1.00 0.00 N ATOM 370 CA CYS A 29 1.638 11.329 -8.157 1.00 0.00 C ATOM 371 C CYS A 29 2.309 10.311 -9.075 1.00 0.00 C ATOM 372 O CYS A 29 1.657 9.679 -9.907 1.00 0.00 O ATOM 373 CB CYS A 29 1.566 10.776 -6.735 1.00 0.00 C ATOM 374 SG CYS A 29 1.794 12.034 -5.438 1.00 0.00 S ATOM 0 H CYS A 29 -0.165 10.953 -9.167 1.00 0.00 H new ATOM 0 HA CYS A 29 2.241 12.237 -8.165 1.00 0.00 H new ATOM 0 HB2 CYS A 29 0.599 10.293 -6.593 1.00 0.00 H new ATOM 0 HB3 CYS A 29 2.328 10.005 -6.617 1.00 0.00 H new ATOM 379 N LYS A 30 3.618 10.159 -8.908 1.00 0.00 N ATOM 380 CA LYS A 30 4.397 9.219 -9.706 1.00 0.00 C ATOM 381 C LYS A 30 5.162 8.256 -8.804 1.00 0.00 C ATOM 382 O LYS A 30 6.381 8.351 -8.666 1.00 0.00 O ATOM 383 CB LYS A 30 5.374 9.974 -10.611 1.00 0.00 C ATOM 384 CG LYS A 30 5.640 9.278 -11.935 1.00 0.00 C ATOM 385 CD LYS A 30 6.711 8.207 -11.797 1.00 0.00 C ATOM 386 CE LYS A 30 7.281 7.812 -13.150 1.00 0.00 C ATOM 387 NZ LYS A 30 8.767 7.725 -13.123 1.00 0.00 N ATOM 0 H LYS A 30 4.165 10.679 -8.222 1.00 0.00 H new ATOM 0 HA LYS A 30 3.710 8.645 -10.327 1.00 0.00 H new ATOM 0 HB2 LYS A 30 4.978 10.970 -10.807 1.00 0.00 H new ATOM 0 HB3 LYS A 30 6.318 10.105 -10.083 1.00 0.00 H new ATOM 0 HG2 LYS A 30 4.718 8.827 -12.302 1.00 0.00 H new ATOM 0 HG3 LYS A 30 5.952 10.013 -12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 30 7.513 8.573 -11.156 1.00 0.00 H new ATOM 0 HD3 LYS A 30 6.288 7.329 -11.309 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.867 6.850 -13.452 1.00 0.00 H new ATOM 0 HE3 LYS A 30 6.974 8.541 -13.900 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 9.116 7.453 -14.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 9.164 8.650 -12.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 9.060 7.011 -12.426 1.00 0.00 H new ATOM 401 N CYS A 31 4.432 7.335 -8.183 1.00 0.00 N ATOM 402 CA CYS A 31 5.027 6.356 -7.281 1.00 0.00 C ATOM 403 C CYS A 31 6.338 5.808 -7.835 1.00 0.00 C ATOM 404 O CYS A 31 6.697 6.063 -8.985 1.00 0.00 O ATOM 405 CB CYS A 31 4.047 5.213 -7.016 1.00 0.00 C ATOM 406 SG CYS A 31 2.607 5.704 -6.015 1.00 0.00 S ATOM 0 H CYS A 31 3.421 7.246 -8.289 1.00 0.00 H new ATOM 0 HA CYS A 31 5.247 6.862 -6.341 1.00 0.00 H new ATOM 0 HB2 CYS A 31 3.698 4.817 -7.969 1.00 0.00 H new ATOM 0 HB3 CYS A 31 4.573 4.405 -6.508 1.00 0.00 H new ATOM 411 N ASP A 32 7.054 5.063 -6.999 1.00 0.00 N ATOM 412 CA ASP A 32 8.335 4.484 -7.388 1.00 0.00 C ATOM 413 C ASP A 32 8.152 3.208 -8.201 1.00 0.00 C ATOM 414 O ASP A 32 8.378 3.194 -9.412 1.00 0.00 O ATOM 415 CB ASP A 32 9.179 4.195 -6.145 1.00 0.00 C ATOM 416 CG ASP A 32 10.667 4.266 -6.427 1.00 0.00 C ATOM 417 OD1 ASP A 32 11.214 5.389 -6.451 1.00 0.00 O ATOM 418 OD2 ASP A 32 11.285 3.199 -6.627 1.00 0.00 O ATOM 0 H ASP A 32 6.768 4.845 -6.045 1.00 0.00 H new ATOM 0 HA ASP A 32 8.850 5.210 -8.017 1.00 0.00 H new ATOM 0 HB2 ASP A 32 8.926 4.911 -5.363 1.00 0.00 H new ATOM 0 HB3 ASP A 32 8.931 3.205 -5.763 1.00 0.00 H new ATOM 423 N GLU A 33 7.756 2.132 -7.531 1.00 0.00 N ATOM 424 CA GLU A 33 7.560 0.849 -8.197 1.00 0.00 C ATOM 425 C GLU A 33 6.217 0.225 -7.832 1.00 0.00 C ATOM 426 O GLU A 33 5.232 0.380 -8.555 1.00 0.00 O ATOM 427 CB GLU A 33 8.697 -0.110 -7.833 1.00 0.00 C ATOM 428 CG GLU A 33 8.349 -1.576 -8.038 1.00 0.00 C ATOM 429 CD GLU A 33 9.499 -2.369 -8.628 1.00 0.00 C ATOM 430 OE1 GLU A 33 9.852 -2.121 -9.800 1.00 0.00 O ATOM 431 OE2 GLU A 33 10.044 -3.240 -7.918 1.00 0.00 O ATOM 0 H GLU A 33 7.565 2.122 -6.529 1.00 0.00 H new ATOM 0 HA GLU A 33 7.564 1.029 -9.272 1.00 0.00 H new ATOM 0 HB2 GLU A 33 9.573 0.134 -8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.973 0.047 -6.790 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.062 -2.015 -7.083 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.484 -1.652 -8.697 1.00 0.00 H new ATOM 438 N GLY A 34 6.187 -0.488 -6.712 1.00 0.00 N ATOM 439 CA GLY A 34 4.965 -1.134 -6.277 1.00 0.00 C ATOM 440 C GLY A 34 4.165 -0.281 -5.320 1.00 0.00 C ATOM 441 O GLY A 34 3.043 -0.626 -4.971 1.00 0.00 O ATOM 0 H GLY A 34 6.989 -0.630 -6.097 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.353 -1.368 -7.148 1.00 0.00 H new ATOM 0 HA3 GLY A 34 5.210 -2.081 -5.796 1.00 0.00 H new ATOM 445 N TYR A 35 4.741 0.834 -4.895 1.00 0.00 N ATOM 446 CA TYR A 35 4.066 1.728 -3.967 1.00 0.00 C ATOM 447 C TYR A 35 2.873 2.407 -4.634 1.00 0.00 C ATOM 448 O TYR A 35 3.004 3.006 -5.701 1.00 0.00 O ATOM 449 CB TYR A 35 5.045 2.779 -3.451 1.00 0.00 C ATOM 450 CG TYR A 35 6.207 2.209 -2.668 1.00 0.00 C ATOM 451 CD1 TYR A 35 6.192 0.898 -2.209 1.00 0.00 C ATOM 452 CD2 TYR A 35 7.318 2.990 -2.386 1.00 0.00 C ATOM 453 CE1 TYR A 35 7.255 0.383 -1.490 1.00 0.00 C ATOM 454 CE2 TYR A 35 8.384 2.485 -1.669 1.00 0.00 C ATOM 455 CZ TYR A 35 8.349 1.180 -1.224 1.00 0.00 C ATOM 456 OH TYR A 35 9.408 0.671 -0.508 1.00 0.00 O ATOM 0 H TYR A 35 5.672 1.140 -5.177 1.00 0.00 H new ATOM 0 HA TYR A 35 3.697 1.137 -3.128 1.00 0.00 H new ATOM 0 HB2 TYR A 35 5.434 3.345 -4.298 1.00 0.00 H new ATOM 0 HB3 TYR A 35 4.505 3.483 -2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 35 5.337 0.271 -2.417 1.00 0.00 H new ATOM 0 HD2 TYR A 35 7.350 4.012 -2.734 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.229 -0.638 -1.139 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.240 3.108 -1.458 1.00 0.00 H new ATOM 0 HH TYR A 35 10.097 1.360 -0.409 1.00 0.00 H new ATOM 466 N GLU A 36 1.708 2.305 -3.998 1.00 0.00 N ATOM 467 CA GLU A 36 0.488 2.905 -4.531 1.00 0.00 C ATOM 468 C GLU A 36 0.179 4.228 -3.832 1.00 0.00 C ATOM 469 O GLU A 36 0.137 4.296 -2.603 1.00 0.00 O ATOM 470 CB GLU A 36 -0.687 1.928 -4.386 1.00 0.00 C ATOM 471 CG GLU A 36 -1.561 2.180 -3.166 1.00 0.00 C ATOM 472 CD GLU A 36 -2.833 1.357 -3.179 1.00 0.00 C ATOM 473 OE1 GLU A 36 -3.697 1.614 -4.044 1.00 0.00 O ATOM 474 OE2 GLU A 36 -2.968 0.456 -2.325 1.00 0.00 O ATOM 0 H GLU A 36 1.584 1.813 -3.113 1.00 0.00 H new ATOM 0 HA GLU A 36 0.641 3.115 -5.590 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -1.306 1.987 -5.281 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.296 0.912 -4.335 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.994 1.951 -2.264 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -1.818 3.238 -3.120 1.00 0.00 H new ATOM 481 N SER A 37 -0.034 5.276 -4.622 1.00 0.00 N ATOM 482 CA SER A 37 -0.331 6.595 -4.087 1.00 0.00 C ATOM 483 C SER A 37 -1.824 6.766 -3.840 1.00 0.00 C ATOM 484 O SER A 37 -2.603 6.937 -4.778 1.00 0.00 O ATOM 485 CB SER A 37 0.160 7.682 -5.044 1.00 0.00 C ATOM 486 OG SER A 37 0.318 7.173 -6.357 1.00 0.00 O ATOM 0 H SER A 37 -0.006 5.234 -5.641 1.00 0.00 H new ATOM 0 HA SER A 37 0.190 6.691 -3.135 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.550 8.509 -5.054 1.00 0.00 H new ATOM 0 HB3 SER A 37 1.110 8.081 -4.689 1.00 0.00 H new ATOM 0 HG SER A 37 1.267 6.995 -6.527 1.00 0.00 H new ATOM 492 N GLY A 38 -2.216 6.729 -2.572 1.00 0.00 N ATOM 493 CA GLY A 38 -3.613 6.891 -2.230 1.00 0.00 C ATOM 494 C GLY A 38 -4.199 5.666 -1.561 1.00 0.00 C ATOM 495 O GLY A 38 -5.410 5.450 -1.601 1.00 0.00 O ATOM 0 H GLY A 38 -1.592 6.590 -1.777 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.723 7.749 -1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -4.180 7.112 -3.134 1.00 0.00 H new ATOM 499 N PHE A 39 -3.342 4.864 -0.941 1.00 0.00 N ATOM 500 CA PHE A 39 -3.791 3.658 -0.260 1.00 0.00 C ATOM 501 C PHE A 39 -5.036 3.945 0.569 1.00 0.00 C ATOM 502 O PHE A 39 -5.849 3.054 0.818 1.00 0.00 O ATOM 503 CB PHE A 39 -2.680 3.106 0.635 1.00 0.00 C ATOM 504 CG PHE A 39 -3.098 1.912 1.443 1.00 0.00 C ATOM 505 CD1 PHE A 39 -3.271 0.676 0.839 1.00 0.00 C ATOM 506 CD2 PHE A 39 -3.317 2.023 2.807 1.00 0.00 C ATOM 507 CE1 PHE A 39 -3.655 -0.425 1.580 1.00 0.00 C ATOM 508 CE2 PHE A 39 -3.702 0.926 3.553 1.00 0.00 C ATOM 509 CZ PHE A 39 -3.871 -0.301 2.938 1.00 0.00 C ATOM 0 H PHE A 39 -2.336 5.027 -0.896 1.00 0.00 H new ATOM 0 HA PHE A 39 -4.038 2.911 -1.014 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -1.826 2.834 0.014 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -2.345 3.893 1.311 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.104 0.573 -0.223 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.185 2.979 3.292 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.786 -1.382 1.097 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.871 1.026 4.615 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.171 -1.161 3.519 1.00 0.00 H new ATOM 519 N MET A 40 -5.175 5.197 0.990 1.00 0.00 N ATOM 520 CA MET A 40 -6.317 5.620 1.792 1.00 0.00 C ATOM 521 C MET A 40 -5.970 6.858 2.607 1.00 0.00 C ATOM 522 O MET A 40 -6.815 7.724 2.836 1.00 0.00 O ATOM 523 CB MET A 40 -6.763 4.498 2.727 1.00 0.00 C ATOM 524 CG MET A 40 -5.610 3.694 3.305 1.00 0.00 C ATOM 525 SD MET A 40 -5.542 3.772 5.105 1.00 0.00 S ATOM 526 CE MET A 40 -7.017 2.853 5.540 1.00 0.00 C ATOM 0 H MET A 40 -4.507 5.941 0.788 1.00 0.00 H new ATOM 0 HA MET A 40 -7.135 5.861 1.112 1.00 0.00 H new ATOM 0 HB2 MET A 40 -7.342 4.927 3.545 1.00 0.00 H new ATOM 0 HB3 MET A 40 -7.427 3.826 2.184 1.00 0.00 H new ATOM 0 HG2 MET A 40 -5.706 2.654 2.994 1.00 0.00 H new ATOM 0 HG3 MET A 40 -4.671 4.065 2.893 1.00 0.00 H new ATOM 0 HE1 MET A 40 -7.058 2.721 6.621 1.00 0.00 H new ATOM 0 HE2 MET A 40 -7.899 3.401 5.207 1.00 0.00 H new ATOM 0 HE3 MET A 40 -6.993 1.876 5.056 1.00 0.00 H new ATOM 536 N MET A 41 -4.719 6.931 3.044 1.00 0.00 N ATOM 537 CA MET A 41 -4.254 8.064 3.838 1.00 0.00 C ATOM 538 C MET A 41 -4.536 9.377 3.121 1.00 0.00 C ATOM 539 O MET A 41 -5.004 10.342 3.724 1.00 0.00 O ATOM 540 CB MET A 41 -2.754 7.949 4.132 1.00 0.00 C ATOM 541 CG MET A 41 -1.994 7.076 3.146 1.00 0.00 C ATOM 542 SD MET A 41 -1.891 5.357 3.680 1.00 0.00 S ATOM 543 CE MET A 41 -0.540 5.448 4.854 1.00 0.00 C ATOM 0 H MET A 41 -4.009 6.222 2.863 1.00 0.00 H new ATOM 0 HA MET A 41 -4.799 8.051 4.782 1.00 0.00 H new ATOM 0 HB2 MET A 41 -2.316 8.947 4.129 1.00 0.00 H new ATOM 0 HB3 MET A 41 -2.621 7.545 5.136 1.00 0.00 H new ATOM 0 HG2 MET A 41 -2.484 7.122 2.173 1.00 0.00 H new ATOM 0 HG3 MET A 41 -0.987 7.473 3.015 1.00 0.00 H new ATOM 0 HE1 MET A 41 0.343 4.970 4.430 1.00 0.00 H new ATOM 0 HE2 MET A 41 -0.318 6.492 5.073 1.00 0.00 H new ATOM 0 HE3 MET A 41 -0.823 4.937 5.774 1.00 0.00 H new ATOM 553 N MET A 42 -4.247 9.401 1.828 1.00 0.00 N ATOM 554 CA MET A 42 -4.463 10.587 1.012 1.00 0.00 C ATOM 555 C MET A 42 -3.968 10.346 -0.405 1.00 0.00 C ATOM 556 O MET A 42 -4.751 10.310 -1.353 1.00 0.00 O ATOM 557 CB MET A 42 -3.746 11.792 1.622 1.00 0.00 C ATOM 558 CG MET A 42 -2.397 11.451 2.234 1.00 0.00 C ATOM 559 SD MET A 42 -2.236 12.041 3.931 1.00 0.00 S ATOM 560 CE MET A 42 -0.789 13.088 3.790 1.00 0.00 C ATOM 0 H MET A 42 -3.860 8.607 1.319 1.00 0.00 H new ATOM 0 HA MET A 42 -5.532 10.797 0.981 1.00 0.00 H new ATOM 0 HB2 MET A 42 -3.605 12.549 0.851 1.00 0.00 H new ATOM 0 HB3 MET A 42 -4.383 12.233 2.389 1.00 0.00 H new ATOM 0 HG2 MET A 42 -2.256 10.370 2.214 1.00 0.00 H new ATOM 0 HG3 MET A 42 -1.605 11.887 1.625 1.00 0.00 H new ATOM 0 HE1 MET A 42 -0.562 13.527 4.761 1.00 0.00 H new ATOM 0 HE2 MET A 42 0.060 12.492 3.453 1.00 0.00 H new ATOM 0 HE3 MET A 42 -0.983 13.882 3.069 1.00 0.00 H new ATOM 570 N LYS A 43 -2.660 10.171 -0.536 1.00 0.00 N ATOM 571 CA LYS A 43 -2.053 9.921 -1.834 1.00 0.00 C ATOM 572 C LYS A 43 -0.603 9.461 -1.696 1.00 0.00 C ATOM 573 O LYS A 43 0.191 9.602 -2.625 1.00 0.00 O ATOM 574 CB LYS A 43 -2.123 11.176 -2.704 1.00 0.00 C ATOM 575 CG LYS A 43 -1.824 10.909 -4.168 1.00 0.00 C ATOM 576 CD LYS A 43 -3.007 10.266 -4.872 1.00 0.00 C ATOM 577 CE LYS A 43 -2.915 10.433 -6.380 1.00 0.00 C ATOM 578 NZ LYS A 43 -4.226 10.804 -6.980 1.00 0.00 N ATOM 0 H LYS A 43 -2.000 10.198 0.241 1.00 0.00 H new ATOM 0 HA LYS A 43 -2.616 9.120 -2.313 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.117 11.615 -2.617 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -1.415 11.913 -2.324 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -1.569 11.845 -4.665 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -0.954 10.258 -4.249 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.047 9.205 -4.624 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.933 10.713 -4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -2.178 11.201 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -2.561 9.504 -6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -4.120 10.908 -8.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.924 10.060 -6.778 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -4.552 11.704 -6.573 1.00 0.00 H new ATOM 592 N ASN A 44 -0.262 8.901 -0.539 1.00 0.00 N ATOM 593 CA ASN A 44 1.085 8.415 -0.301 1.00 0.00 C ATOM 594 C ASN A 44 1.298 7.091 -1.023 1.00 0.00 C ATOM 595 O ASN A 44 0.390 6.265 -1.106 1.00 0.00 O ATOM 596 CB ASN A 44 1.339 8.253 1.201 1.00 0.00 C ATOM 597 CG ASN A 44 0.873 6.911 1.734 1.00 0.00 C ATOM 598 OD1 ASN A 44 1.520 6.313 2.594 1.00 0.00 O ATOM 599 ND2 ASN A 44 -0.255 6.431 1.225 1.00 0.00 N ATOM 0 H ASN A 44 -0.902 8.775 0.245 1.00 0.00 H new ATOM 0 HA ASN A 44 1.794 9.145 -0.691 1.00 0.00 H new ATOM 0 HB2 ASN A 44 2.405 8.367 1.399 1.00 0.00 H new ATOM 0 HB3 ASN A 44 0.827 9.050 1.740 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.617 5.533 1.545 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -0.759 6.960 0.514 1.00 0.00 H new ATOM 606 N CYS A 45 2.498 6.895 -1.544 1.00 0.00 N ATOM 607 CA CYS A 45 2.821 5.674 -2.258 1.00 0.00 C ATOM 608 C CYS A 45 3.257 4.589 -1.288 1.00 0.00 C ATOM 609 O CYS A 45 4.344 4.653 -0.712 1.00 0.00 O ATOM 610 CB CYS A 45 3.915 5.932 -3.297 1.00 0.00 C ATOM 611 SG CYS A 45 3.385 7.006 -4.667 1.00 0.00 S ATOM 0 H CYS A 45 3.263 7.567 -1.485 1.00 0.00 H new ATOM 0 HA CYS A 45 1.925 5.334 -2.777 1.00 0.00 H new ATOM 0 HB2 CYS A 45 4.774 6.386 -2.802 1.00 0.00 H new ATOM 0 HB3 CYS A 45 4.250 4.978 -3.704 1.00 0.00 H new ATOM 616 N MET A 46 2.403 3.591 -1.113 1.00 0.00 N ATOM 617 CA MET A 46 2.699 2.488 -0.212 1.00 0.00 C ATOM 618 C MET A 46 2.320 1.153 -0.842 1.00 0.00 C ATOM 619 O MET A 46 1.143 0.882 -1.067 1.00 0.00 O ATOM 620 CB MET A 46 1.959 2.676 1.114 1.00 0.00 C ATOM 621 CG MET A 46 0.453 2.822 0.958 1.00 0.00 C ATOM 622 SD MET A 46 -0.410 2.808 2.541 1.00 0.00 S ATOM 623 CE MET A 46 -0.072 1.139 3.096 1.00 0.00 C ATOM 0 H MET A 46 1.500 3.523 -1.583 1.00 0.00 H new ATOM 0 HA MET A 46 3.772 2.482 -0.021 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.168 1.823 1.760 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.351 3.560 1.616 1.00 0.00 H new ATOM 0 HG2 MET A 46 0.234 3.754 0.437 1.00 0.00 H new ATOM 0 HG3 MET A 46 0.075 2.011 0.335 1.00 0.00 H new ATOM 0 HE1 MET A 46 -0.812 0.847 3.841 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.122 0.456 2.248 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.924 1.097 3.537 1.00 0.00 H new ATOM 633 N ASP A 47 3.342 0.337 -1.120 1.00 0.00 N ATOM 634 CA ASP A 47 3.178 -0.986 -1.726 1.00 0.00 C ATOM 635 C ASP A 47 1.727 -1.310 -2.064 1.00 0.00 C ATOM 636 O ASP A 47 0.875 -1.428 -1.183 1.00 0.00 O ATOM 637 CB ASP A 47 3.742 -2.057 -0.797 1.00 0.00 C ATOM 638 CG ASP A 47 2.863 -2.297 0.415 1.00 0.00 C ATOM 639 OD1 ASP A 47 1.827 -2.979 0.274 1.00 0.00 O ATOM 640 OD2 ASP A 47 3.211 -1.801 1.507 1.00 0.00 O ATOM 0 H ASP A 47 4.314 0.579 -0.929 1.00 0.00 H new ATOM 0 HA ASP A 47 3.730 -0.973 -2.666 1.00 0.00 H new ATOM 0 HB2 ASP A 47 3.855 -2.990 -1.350 1.00 0.00 H new ATOM 0 HB3 ASP A 47 4.737 -1.759 -0.467 1.00 0.00 H new ATOM 645 N ILE A 48 1.468 -1.459 -3.352 1.00 0.00 N ATOM 646 CA ILE A 48 0.140 -1.778 -3.852 1.00 0.00 C ATOM 647 C ILE A 48 -0.423 -3.014 -3.166 1.00 0.00 C ATOM 648 O ILE A 48 0.172 -3.540 -2.225 1.00 0.00 O ATOM 649 CB ILE A 48 0.180 -2.024 -5.370 1.00 0.00 C ATOM 650 CG1 ILE A 48 1.499 -2.701 -5.750 1.00 0.00 C ATOM 651 CG2 ILE A 48 0.008 -0.715 -6.126 1.00 0.00 C ATOM 652 CD1 ILE A 48 1.322 -3.932 -6.608 1.00 0.00 C ATOM 0 H ILE A 48 2.173 -1.362 -4.082 1.00 0.00 H new ATOM 0 HA ILE A 48 -0.504 -0.926 -3.635 1.00 0.00 H new ATOM 0 HB ILE A 48 -0.644 -2.683 -5.645 1.00 0.00 H new ATOM 0 HG12 ILE A 48 2.125 -1.985 -6.282 1.00 0.00 H new ATOM 0 HG13 ILE A 48 2.032 -2.976 -4.840 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.039 -0.907 -7.198 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -0.951 -0.267 -5.865 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.813 -0.031 -5.857 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.298 -4.359 -6.838 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.722 -4.667 -6.071 1.00 0.00 H new ATOM 0 HD13 ILE A 48 0.817 -3.660 -7.535 1.00 0.00 H new ATOM 664 N ASP A 49 -1.570 -3.476 -3.649 1.00 0.00 N ATOM 665 CA ASP A 49 -2.217 -4.653 -3.089 1.00 0.00 C ATOM 666 C ASP A 49 -1.880 -5.899 -3.902 1.00 0.00 C ATOM 667 O ASP A 49 -2.720 -6.412 -4.638 1.00 0.00 O ATOM 668 CB ASP A 49 -3.732 -4.456 -3.045 1.00 0.00 C ATOM 669 CG ASP A 49 -4.449 -5.631 -2.406 1.00 0.00 C ATOM 670 OD1 ASP A 49 -3.904 -6.753 -2.450 1.00 0.00 O ATOM 671 OD2 ASP A 49 -5.555 -5.426 -1.863 1.00 0.00 O ATOM 0 H ASP A 49 -2.071 -3.051 -4.429 1.00 0.00 H new ATOM 0 HA ASP A 49 -1.845 -4.791 -2.074 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.962 -3.547 -2.489 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -4.107 -4.312 -4.058 1.00 0.00 H new ATOM 676 N GLU A 50 -0.648 -6.381 -3.764 1.00 0.00 N ATOM 677 CA GLU A 50 -0.212 -7.568 -4.483 1.00 0.00 C ATOM 678 C GLU A 50 -1.220 -8.698 -4.321 1.00 0.00 C ATOM 679 O GLU A 50 -1.286 -9.612 -5.142 1.00 0.00 O ATOM 680 CB GLU A 50 1.151 -8.022 -3.966 1.00 0.00 C ATOM 681 CG GLU A 50 2.312 -7.206 -4.504 1.00 0.00 C ATOM 682 CD GLU A 50 2.537 -5.927 -3.724 1.00 0.00 C ATOM 683 OE1 GLU A 50 1.594 -5.112 -3.634 1.00 0.00 O ATOM 684 OE2 GLU A 50 3.656 -5.738 -3.202 1.00 0.00 O ATOM 0 H GLU A 50 0.063 -5.967 -3.161 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.134 -7.316 -5.541 1.00 0.00 H new ATOM 0 HB2 GLU A 50 1.153 -7.966 -2.877 1.00 0.00 H new ATOM 0 HB3 GLU A 50 1.300 -9.068 -4.232 1.00 0.00 H new ATOM 0 HG2 GLU A 50 3.219 -7.809 -4.475 1.00 0.00 H new ATOM 0 HG3 GLU A 50 2.125 -6.961 -5.550 1.00 0.00 H new ATOM 691 N CYS A 51 -2.002 -8.626 -3.251 1.00 0.00 N ATOM 692 CA CYS A 51 -3.012 -9.641 -2.968 1.00 0.00 C ATOM 693 C CYS A 51 -4.228 -9.461 -3.869 1.00 0.00 C ATOM 694 O CYS A 51 -5.101 -10.326 -3.934 1.00 0.00 O ATOM 695 CB CYS A 51 -3.438 -9.570 -1.502 1.00 0.00 C ATOM 696 SG CYS A 51 -4.857 -10.634 -1.090 1.00 0.00 S ATOM 0 H CYS A 51 -1.957 -7.874 -2.563 1.00 0.00 H new ATOM 0 HA CYS A 51 -2.574 -10.619 -3.166 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -2.592 -9.851 -0.875 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -3.688 -8.538 -1.257 1.00 0.00 H new ATOM 701 N GLN A 52 -4.276 -8.329 -4.560 1.00 0.00 N ATOM 702 CA GLN A 52 -5.378 -8.022 -5.458 1.00 0.00 C ATOM 703 C GLN A 52 -4.891 -7.963 -6.901 1.00 0.00 C ATOM 704 O GLN A 52 -5.664 -8.155 -7.839 1.00 0.00 O ATOM 705 CB GLN A 52 -6.017 -6.691 -5.066 1.00 0.00 C ATOM 706 CG GLN A 52 -7.156 -6.836 -4.070 1.00 0.00 C ATOM 707 CD GLN A 52 -8.250 -5.808 -4.281 1.00 0.00 C ATOM 708 OE1 GLN A 52 -9.391 -6.152 -4.592 1.00 0.00 O ATOM 709 NE2 GLN A 52 -7.907 -4.535 -4.113 1.00 0.00 N ATOM 0 H GLN A 52 -3.559 -7.605 -4.514 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.124 -8.813 -5.376 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -5.252 -6.041 -4.640 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.390 -6.198 -5.964 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -7.581 -7.836 -4.153 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.763 -6.740 -3.058 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.950 -4.294 -3.855 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -8.601 -3.799 -4.242 1.00 0.00 H new ATOM 718 N ARG A 53 -3.601 -7.697 -7.065 1.00 0.00 N ATOM 719 CA ARG A 53 -2.998 -7.613 -8.389 1.00 0.00 C ATOM 720 C ARG A 53 -3.201 -8.914 -9.157 1.00 0.00 C ATOM 721 O ARG A 53 -3.316 -8.913 -10.383 1.00 0.00 O ATOM 722 CB ARG A 53 -1.506 -7.306 -8.267 1.00 0.00 C ATOM 723 CG ARG A 53 -0.760 -7.369 -9.588 1.00 0.00 C ATOM 724 CD ARG A 53 0.532 -8.155 -9.453 1.00 0.00 C ATOM 725 NE ARG A 53 1.273 -8.213 -10.708 1.00 0.00 N ATOM 726 CZ ARG A 53 2.397 -8.904 -10.868 1.00 0.00 C ATOM 727 NH1 ARG A 53 2.905 -9.593 -9.856 1.00 0.00 N ATOM 728 NH2 ARG A 53 3.015 -8.906 -12.042 1.00 0.00 N ATOM 0 H ARG A 53 -2.951 -7.535 -6.296 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.485 -6.807 -8.939 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.383 -6.312 -7.837 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.054 -8.013 -7.571 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -1.393 -7.833 -10.344 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -0.540 -6.359 -9.933 1.00 0.00 H new ATOM 0 HD2 ARG A 53 1.156 -7.697 -8.685 1.00 0.00 H new ATOM 0 HD3 ARG A 53 0.306 -9.168 -9.119 1.00 0.00 H new ATOM 0 HE ARG A 53 0.908 -7.695 -11.507 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.433 -9.594 -8.952 1.00 0.00 H new ATOM 0 HH12 ARG A 53 3.768 -10.122 -9.982 1.00 0.00 H new ATOM 0 HH21 ARG A 53 2.628 -8.377 -12.823 1.00 0.00 H new ATOM 0 HH22 ARG A 53 3.878 -9.437 -12.163 1.00 0.00 H new ATOM 742 N ASP A 54 -3.245 -10.023 -8.426 1.00 0.00 N ATOM 743 CA ASP A 54 -3.436 -11.333 -9.033 1.00 0.00 C ATOM 744 C ASP A 54 -4.749 -11.957 -8.574 1.00 0.00 C ATOM 745 O ASP A 54 -5.107 -11.889 -7.398 1.00 0.00 O ATOM 746 CB ASP A 54 -2.268 -12.257 -8.680 1.00 0.00 C ATOM 747 CG ASP A 54 -1.390 -12.562 -9.878 1.00 0.00 C ATOM 748 OD1 ASP A 54 -1.852 -13.290 -10.783 1.00 0.00 O ATOM 749 OD2 ASP A 54 -0.242 -12.071 -9.913 1.00 0.00 O ATOM 0 H ASP A 54 -3.151 -10.039 -7.411 1.00 0.00 H new ATOM 0 HA ASP A 54 -3.474 -11.204 -10.115 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -1.665 -11.794 -7.899 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -2.657 -13.190 -8.271 1.00 0.00 H new ATOM 754 N PRO A 55 -5.482 -12.576 -9.507 1.00 0.00 N ATOM 755 CA PRO A 55 -6.761 -13.220 -9.218 1.00 0.00 C ATOM 756 C PRO A 55 -6.584 -14.638 -8.689 1.00 0.00 C ATOM 757 O PRO A 55 -7.555 -15.314 -8.350 1.00 0.00 O ATOM 758 CB PRO A 55 -7.442 -13.234 -10.584 1.00 0.00 C ATOM 759 CG PRO A 55 -6.322 -13.338 -11.566 1.00 0.00 C ATOM 760 CD PRO A 55 -5.114 -12.697 -10.927 1.00 0.00 C ATOM 0 HA PRO A 55 -7.327 -12.702 -8.444 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -8.128 -14.076 -10.676 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -8.026 -12.328 -10.744 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -6.120 -14.381 -11.812 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.578 -12.834 -12.498 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -4.222 -13.310 -11.057 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -4.899 -11.723 -11.368 1.00 0.00 H new ATOM 768 N LEU A 56 -5.333 -15.078 -8.615 1.00 0.00 N ATOM 769 CA LEU A 56 -5.012 -16.410 -8.124 1.00 0.00 C ATOM 770 C LEU A 56 -4.053 -16.329 -6.941 1.00 0.00 C ATOM 771 O LEU A 56 -3.736 -17.339 -6.314 1.00 0.00 O ATOM 772 CB LEU A 56 -4.396 -17.253 -9.240 1.00 0.00 C ATOM 773 CG LEU A 56 -5.230 -18.460 -9.673 1.00 0.00 C ATOM 774 CD1 LEU A 56 -5.894 -19.112 -8.472 1.00 0.00 C ATOM 775 CD2 LEU A 56 -6.272 -18.044 -10.702 1.00 0.00 C ATOM 0 H LEU A 56 -4.521 -14.526 -8.891 1.00 0.00 H new ATOM 0 HA LEU A 56 -5.935 -16.884 -7.792 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.230 -16.615 -10.108 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.418 -17.605 -8.912 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.565 -19.191 -10.132 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.482 -19.968 -8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.130 -19.446 -7.770 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.547 -18.391 -7.981 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -6.857 -18.914 -11.000 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -6.933 -17.294 -10.268 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -5.773 -17.626 -11.576 1.00 0.00 H new ATOM 787 N LEU A 57 -3.593 -15.117 -6.642 1.00 0.00 N ATOM 788 CA LEU A 57 -2.671 -14.903 -5.534 1.00 0.00 C ATOM 789 C LEU A 57 -3.220 -15.498 -4.247 1.00 0.00 C ATOM 790 O LEU A 57 -4.263 -15.074 -3.747 1.00 0.00 O ATOM 791 CB LEU A 57 -2.404 -13.411 -5.348 1.00 0.00 C ATOM 792 CG LEU A 57 -1.021 -13.067 -4.794 1.00 0.00 C ATOM 793 CD1 LEU A 57 -0.357 -11.998 -5.645 1.00 0.00 C ATOM 794 CD2 LEU A 57 -1.127 -12.612 -3.346 1.00 0.00 C ATOM 0 H LEU A 57 -3.844 -14.270 -7.152 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.733 -15.405 -5.772 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -2.528 -12.912 -6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -3.160 -13.003 -4.677 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.402 -13.963 -4.828 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.626 -11.766 -5.236 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.248 -12.362 -6.667 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.972 -11.098 -5.644 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.134 -12.371 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.762 -11.728 -3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.561 -13.411 -2.745 1.00 0.00 H new ATOM 806 N CYS A 58 -2.510 -16.486 -3.716 1.00 0.00 N ATOM 807 CA CYS A 58 -2.926 -17.141 -2.488 1.00 0.00 C ATOM 808 C CYS A 58 -4.372 -17.604 -2.597 1.00 0.00 C ATOM 809 O CYS A 58 -5.047 -17.826 -1.591 1.00 0.00 O ATOM 810 CB CYS A 58 -2.747 -16.193 -1.304 1.00 0.00 C ATOM 811 SG CYS A 58 -1.065 -15.513 -1.182 1.00 0.00 S ATOM 0 H CYS A 58 -1.645 -16.849 -4.118 1.00 0.00 H new ATOM 0 HA CYS A 58 -2.301 -18.019 -2.326 1.00 0.00 H new ATOM 0 HB2 CYS A 58 -3.459 -15.372 -1.393 1.00 0.00 H new ATOM 0 HB3 CYS A 58 -2.986 -16.724 -0.382 1.00 0.00 H new ATOM 816 N ARG A 59 -4.835 -17.754 -3.835 1.00 0.00 N ATOM 817 CA ARG A 59 -6.194 -18.202 -4.095 1.00 0.00 C ATOM 818 C ARG A 59 -6.540 -19.386 -3.200 1.00 0.00 C ATOM 819 O ARG A 59 -7.704 -19.620 -2.879 1.00 0.00 O ATOM 820 CB ARG A 59 -6.344 -18.586 -5.569 1.00 0.00 C ATOM 821 CG ARG A 59 -7.773 -18.513 -6.077 1.00 0.00 C ATOM 822 CD ARG A 59 -8.244 -19.853 -6.617 1.00 0.00 C ATOM 823 NE ARG A 59 -9.404 -19.713 -7.492 1.00 0.00 N ATOM 824 CZ ARG A 59 -10.620 -19.397 -7.058 1.00 0.00 C ATOM 825 NH1 ARG A 59 -10.832 -19.191 -5.766 1.00 0.00 N ATOM 826 NH2 ARG A 59 -11.625 -19.286 -7.917 1.00 0.00 N ATOM 0 H ARG A 59 -4.285 -17.570 -4.674 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.883 -17.388 -3.872 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.719 -17.927 -6.172 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -5.969 -19.599 -5.711 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.431 -18.194 -5.269 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.843 -17.759 -6.861 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.431 -20.329 -7.166 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -8.495 -20.511 -5.785 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.274 -19.866 -8.492 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -10.061 -19.275 -5.103 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -11.766 -18.949 -5.435 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -11.465 -19.443 -8.912 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -12.558 -19.043 -7.582 1.00 0.00 H new ATOM 840 N GLY A 60 -5.510 -20.120 -2.793 1.00 0.00 N ATOM 841 CA GLY A 60 -5.705 -21.267 -1.928 1.00 0.00 C ATOM 842 C GLY A 60 -4.859 -21.181 -0.674 1.00 0.00 C ATOM 843 O GLY A 60 -4.578 -22.195 -0.034 1.00 0.00 O ATOM 0 H GLY A 60 -4.539 -19.939 -3.049 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -6.757 -21.338 -1.652 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -5.456 -22.178 -2.472 1.00 0.00 H new ATOM 847 N GLY A 61 -4.448 -19.964 -0.327 1.00 0.00 N ATOM 848 CA GLY A 61 -3.627 -19.766 0.852 1.00 0.00 C ATOM 849 C GLY A 61 -3.890 -18.433 1.532 1.00 0.00 C ATOM 850 O GLY A 61 -5.038 -18.081 1.799 1.00 0.00 O ATOM 0 H GLY A 61 -4.670 -19.112 -0.842 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -3.814 -20.574 1.560 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -2.575 -19.825 0.572 1.00 0.00 H new ATOM 854 N VAL A 62 -2.821 -17.691 1.810 1.00 0.00 N ATOM 855 CA VAL A 62 -2.934 -16.392 2.461 1.00 0.00 C ATOM 856 C VAL A 62 -2.008 -15.380 1.800 1.00 0.00 C ATOM 857 O VAL A 62 -0.840 -15.669 1.541 1.00 0.00 O ATOM 858 CB VAL A 62 -2.596 -16.479 3.962 1.00 0.00 C ATOM 859 CG1 VAL A 62 -2.382 -15.090 4.548 1.00 0.00 C ATOM 860 CG2 VAL A 62 -3.692 -17.219 4.714 1.00 0.00 C ATOM 0 H VAL A 62 -1.864 -17.970 1.593 1.00 0.00 H new ATOM 0 HA VAL A 62 -3.969 -16.068 2.354 1.00 0.00 H new ATOM 0 HB VAL A 62 -1.668 -17.039 4.072 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.145 -15.175 5.608 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.558 -14.600 4.030 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -3.290 -14.500 4.426 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.436 -17.271 5.772 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -4.637 -16.689 4.595 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.789 -18.229 4.315 1.00 0.00 H new ATOM 870 N CYS A 63 -2.536 -14.195 1.526 1.00 0.00 N ATOM 871 CA CYS A 63 -1.757 -13.145 0.890 1.00 0.00 C ATOM 872 C CYS A 63 -1.257 -12.127 1.907 1.00 0.00 C ATOM 873 O CYS A 63 -1.976 -11.199 2.276 1.00 0.00 O ATOM 874 CB CYS A 63 -2.596 -12.442 -0.177 1.00 0.00 C ATOM 875 SG CYS A 63 -4.176 -11.777 0.443 1.00 0.00 S ATOM 0 H CYS A 63 -3.501 -13.938 1.735 1.00 0.00 H new ATOM 0 HA CYS A 63 -0.889 -13.611 0.423 1.00 0.00 H new ATOM 0 HB2 CYS A 63 -2.013 -11.626 -0.604 1.00 0.00 H new ATOM 0 HB3 CYS A 63 -2.801 -13.145 -0.985 1.00 0.00 H new ATOM 880 N HIS A 64 -0.014 -12.300 2.348 1.00 0.00 N ATOM 881 CA HIS A 64 0.579 -11.381 3.314 1.00 0.00 C ATOM 882 C HIS A 64 1.253 -10.218 2.598 1.00 0.00 C ATOM 883 O HIS A 64 2.462 -10.014 2.716 1.00 0.00 O ATOM 884 CB HIS A 64 1.603 -12.100 4.191 1.00 0.00 C ATOM 885 CG HIS A 64 1.124 -13.411 4.723 1.00 0.00 C ATOM 886 ND1 HIS A 64 1.777 -14.598 4.479 1.00 0.00 N ATOM 887 CD2 HIS A 64 0.055 -13.721 5.492 1.00 0.00 C ATOM 888 CE1 HIS A 64 1.132 -15.581 5.072 1.00 0.00 C ATOM 889 NE2 HIS A 64 0.083 -15.078 5.696 1.00 0.00 N ATOM 0 H HIS A 64 0.598 -13.062 2.055 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.222 -10.999 3.947 1.00 0.00 H new ATOM 0 HB2 HIS A 64 2.512 -12.263 3.613 1.00 0.00 H new ATOM 0 HB3 HIS A 64 1.869 -11.454 5.028 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.682 -13.030 5.874 1.00 0.00 H new ATOM 0 HE1 HIS A 64 1.414 -16.623 5.051 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -0.595 -15.611 6.240 1.00 0.00 H new ATOM 898 N ASN A 65 0.457 -9.460 1.853 1.00 0.00 N ATOM 899 CA ASN A 65 0.961 -8.311 1.113 1.00 0.00 C ATOM 900 C ASN A 65 1.954 -7.515 1.954 1.00 0.00 C ATOM 901 O ASN A 65 1.617 -7.020 3.031 1.00 0.00 O ATOM 902 CB ASN A 65 -0.202 -7.414 0.689 1.00 0.00 C ATOM 903 CG ASN A 65 0.260 -6.059 0.196 1.00 0.00 C ATOM 904 OD1 ASN A 65 1.008 -5.357 0.877 1.00 0.00 O ATOM 905 ND2 ASN A 65 -0.185 -5.685 -0.996 1.00 0.00 N ATOM 0 H ASN A 65 -0.544 -9.622 1.746 1.00 0.00 H new ATOM 0 HA ASN A 65 1.479 -8.674 0.225 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -0.770 -7.909 -0.099 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -0.878 -7.279 1.533 1.00 0.00 H new ATOM 0 HD21 ASN A 65 0.091 -4.783 -1.383 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -0.804 -6.300 -1.525 1.00 0.00 H new ATOM 912 N THR A 66 3.177 -7.395 1.453 1.00 0.00 N ATOM 913 CA THR A 66 4.225 -6.660 2.148 1.00 0.00 C ATOM 914 C THR A 66 4.750 -5.518 1.286 1.00 0.00 C ATOM 915 O THR A 66 4.387 -5.395 0.116 1.00 0.00 O ATOM 916 CB THR A 66 5.399 -7.582 2.529 1.00 0.00 C ATOM 917 OG1 THR A 66 6.416 -7.523 1.523 1.00 0.00 O ATOM 918 CG2 THR A 66 4.926 -9.017 2.694 1.00 0.00 C ATOM 0 H THR A 66 3.468 -7.800 0.563 1.00 0.00 H new ATOM 0 HA THR A 66 3.782 -6.255 3.058 1.00 0.00 H new ATOM 0 HB THR A 66 5.809 -7.238 3.479 1.00 0.00 H new ATOM 0 HG1 THR A 66 7.159 -8.111 1.774 1.00 0.00 H new ATOM 0 HG21 THR A 66 5.772 -9.650 2.963 1.00 0.00 H new ATOM 0 HG22 THR A 66 4.173 -9.064 3.481 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.494 -9.368 1.757 1.00 0.00 H new ATOM 926 N GLU A 67 5.603 -4.683 1.868 1.00 0.00 N ATOM 927 CA GLU A 67 6.172 -3.553 1.146 1.00 0.00 C ATOM 928 C GLU A 67 6.960 -4.031 -0.071 1.00 0.00 C ATOM 929 O GLU A 67 7.678 -5.028 -0.004 1.00 0.00 O ATOM 930 CB GLU A 67 7.069 -2.726 2.072 1.00 0.00 C ATOM 931 CG GLU A 67 8.522 -3.166 2.069 1.00 0.00 C ATOM 932 CD GLU A 67 9.307 -2.599 3.236 1.00 0.00 C ATOM 933 OE1 GLU A 67 8.724 -1.823 4.022 1.00 0.00 O ATOM 934 OE2 GLU A 67 10.504 -2.929 3.362 1.00 0.00 O ATOM 0 H GLU A 67 5.915 -4.767 2.836 1.00 0.00 H new ATOM 0 HA GLU A 67 5.354 -2.922 0.798 1.00 0.00 H new ATOM 0 HB2 GLU A 67 7.015 -1.679 1.775 1.00 0.00 H new ATOM 0 HB3 GLU A 67 6.682 -2.789 3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 67 8.568 -4.255 2.100 1.00 0.00 H new ATOM 0 HG3 GLU A 67 8.990 -2.854 1.135 1.00 0.00 H new ATOM 941 N GLY A 68 6.820 -3.314 -1.181 1.00 0.00 N ATOM 942 CA GLY A 68 7.525 -3.683 -2.394 1.00 0.00 C ATOM 943 C GLY A 68 7.593 -5.185 -2.591 1.00 0.00 C ATOM 944 O GLY A 68 8.575 -5.704 -3.121 1.00 0.00 O ATOM 0 H GLY A 68 6.231 -2.485 -1.262 1.00 0.00 H new ATOM 0 HA2 GLY A 68 7.028 -3.229 -3.252 1.00 0.00 H new ATOM 0 HA3 GLY A 68 8.536 -3.278 -2.360 1.00 0.00 H new ATOM 948 N SER A 69 6.548 -5.884 -2.162 1.00 0.00 N ATOM 949 CA SER A 69 6.496 -7.335 -2.295 1.00 0.00 C ATOM 950 C SER A 69 5.202 -7.895 -1.711 1.00 0.00 C ATOM 951 O SER A 69 4.255 -7.155 -1.444 1.00 0.00 O ATOM 952 CB SER A 69 7.699 -7.974 -1.598 1.00 0.00 C ATOM 953 OG SER A 69 8.140 -9.126 -2.294 1.00 0.00 O ATOM 0 H SER A 69 5.727 -5.470 -1.720 1.00 0.00 H new ATOM 0 HA SER A 69 6.526 -7.576 -3.358 1.00 0.00 H new ATOM 0 HB2 SER A 69 8.512 -7.251 -1.534 1.00 0.00 H new ATOM 0 HB3 SER A 69 7.430 -8.243 -0.577 1.00 0.00 H new ATOM 0 HG SER A 69 8.910 -9.514 -1.829 1.00 0.00 H new ATOM 959 N TYR A 70 5.172 -9.208 -1.516 1.00 0.00 N ATOM 960 CA TYR A 70 4.004 -9.878 -0.966 1.00 0.00 C ATOM 961 C TYR A 70 4.306 -11.346 -0.708 1.00 0.00 C ATOM 962 O TYR A 70 5.063 -11.974 -1.448 1.00 0.00 O ATOM 963 CB TYR A 70 2.807 -9.722 -1.909 1.00 0.00 C ATOM 964 CG TYR A 70 2.621 -10.866 -2.880 1.00 0.00 C ATOM 965 CD1 TYR A 70 2.011 -12.049 -2.485 1.00 0.00 C ATOM 966 CD2 TYR A 70 3.052 -10.755 -4.194 1.00 0.00 C ATOM 967 CE1 TYR A 70 1.835 -13.091 -3.375 1.00 0.00 C ATOM 968 CE2 TYR A 70 2.880 -11.793 -5.090 1.00 0.00 C ATOM 969 CZ TYR A 70 2.272 -12.959 -4.676 1.00 0.00 C ATOM 970 OH TYR A 70 2.099 -13.994 -5.564 1.00 0.00 O ATOM 0 H TYR A 70 5.950 -9.832 -1.733 1.00 0.00 H new ATOM 0 HA TYR A 70 3.750 -9.413 -0.014 1.00 0.00 H new ATOM 0 HB2 TYR A 70 1.901 -9.618 -1.312 1.00 0.00 H new ATOM 0 HB3 TYR A 70 2.924 -8.797 -2.474 1.00 0.00 H new ATOM 0 HD1 TYR A 70 1.669 -12.156 -1.466 1.00 0.00 H new ATOM 0 HD2 TYR A 70 3.529 -9.843 -4.522 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.357 -14.005 -3.053 1.00 0.00 H new ATOM 0 HE2 TYR A 70 3.220 -11.691 -6.110 1.00 0.00 H new ATOM 0 HH TYR A 70 2.461 -13.739 -6.438 1.00 0.00 H new ATOM 980 N ARG A 71 3.726 -11.884 0.356 1.00 0.00 N ATOM 981 CA ARG A 71 3.953 -13.274 0.714 1.00 0.00 C ATOM 982 C ARG A 71 2.712 -14.113 0.467 1.00 0.00 C ATOM 983 O ARG A 71 1.587 -13.615 0.521 1.00 0.00 O ATOM 984 CB ARG A 71 4.368 -13.394 2.182 1.00 0.00 C ATOM 985 CG ARG A 71 5.008 -12.137 2.746 1.00 0.00 C ATOM 986 CD ARG A 71 4.737 -11.995 4.231 1.00 0.00 C ATOM 987 NE ARG A 71 5.958 -12.109 5.023 1.00 0.00 N ATOM 988 CZ ARG A 71 5.979 -12.520 6.287 1.00 0.00 C ATOM 989 NH1 ARG A 71 4.851 -12.853 6.897 1.00 0.00 N ATOM 990 NH2 ARG A 71 7.130 -12.598 6.943 1.00 0.00 N ATOM 0 H ARG A 71 3.098 -11.381 0.983 1.00 0.00 H new ATOM 0 HA ARG A 71 4.759 -13.648 0.082 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.490 -13.642 2.778 1.00 0.00 H new ATOM 0 HB3 ARG A 71 5.068 -14.224 2.285 1.00 0.00 H new ATOM 0 HG2 ARG A 71 6.084 -12.166 2.572 1.00 0.00 H new ATOM 0 HG3 ARG A 71 4.623 -11.264 2.220 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.269 -11.030 4.423 1.00 0.00 H new ATOM 0 HD3 ARG A 71 4.028 -12.761 4.545 1.00 0.00 H new ATOM 0 HE ARG A 71 6.843 -11.860 4.582 1.00 0.00 H new ATOM 0 HH11 ARG A 71 3.964 -12.794 6.397 1.00 0.00 H new ATOM 0 HH12 ARG A 71 4.870 -13.168 7.867 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.001 -12.342 6.477 1.00 0.00 H new ATOM 0 HH22 ARG A 71 7.144 -12.914 7.913 1.00 0.00 H new ATOM 1004 N CYS A 72 2.928 -15.390 0.199 1.00 0.00 N ATOM 1005 CA CYS A 72 1.836 -16.311 -0.052 1.00 0.00 C ATOM 1006 C CYS A 72 2.025 -17.583 0.767 1.00 0.00 C ATOM 1007 O CYS A 72 3.132 -18.116 0.857 1.00 0.00 O ATOM 1008 CB CYS A 72 1.751 -16.632 -1.546 1.00 0.00 C ATOM 1009 SG CYS A 72 0.059 -16.882 -2.175 1.00 0.00 S ATOM 0 H CYS A 72 3.855 -15.812 0.150 1.00 0.00 H new ATOM 0 HA CYS A 72 0.899 -15.844 0.251 1.00 0.00 H new ATOM 0 HB2 CYS A 72 2.216 -15.820 -2.105 1.00 0.00 H new ATOM 0 HB3 CYS A 72 2.335 -17.531 -1.745 1.00 0.00 H new ATOM 1014 N GLU A 73 0.948 -18.048 1.386 1.00 0.00 N ATOM 1015 CA GLU A 73 1.003 -19.240 2.225 1.00 0.00 C ATOM 1016 C GLU A 73 -0.273 -20.075 2.076 1.00 0.00 C ATOM 1017 O GLU A 73 -1.377 -19.568 2.245 1.00 0.00 O ATOM 1018 CB GLU A 73 1.210 -18.806 3.676 1.00 0.00 C ATOM 1019 CG GLU A 73 2.147 -19.708 4.460 1.00 0.00 C ATOM 1020 CD GLU A 73 2.174 -19.381 5.942 1.00 0.00 C ATOM 1021 OE1 GLU A 73 1.965 -18.203 6.295 1.00 0.00 O ATOM 1022 OE2 GLU A 73 2.402 -20.307 6.748 1.00 0.00 O ATOM 0 H GLU A 73 0.025 -17.618 1.324 1.00 0.00 H new ATOM 0 HA GLU A 73 1.836 -19.870 1.911 1.00 0.00 H new ATOM 0 HB2 GLU A 73 1.605 -17.790 3.688 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.243 -18.779 4.178 1.00 0.00 H new ATOM 0 HG2 GLU A 73 1.841 -20.746 4.327 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.155 -19.618 4.054 1.00 0.00 H new ATOM 1029 N CYS A 74 -0.107 -21.351 1.731 1.00 0.00 N ATOM 1030 CA CYS A 74 -1.245 -22.240 1.522 1.00 0.00 C ATOM 1031 C CYS A 74 -2.061 -22.451 2.804 1.00 0.00 C ATOM 1032 O CYS A 74 -3.288 -22.539 2.746 1.00 0.00 O ATOM 1033 CB CYS A 74 -0.788 -23.588 0.960 1.00 0.00 C ATOM 1034 SG CYS A 74 -1.695 -24.120 -0.530 1.00 0.00 S ATOM 0 H CYS A 74 0.803 -21.790 1.591 1.00 0.00 H new ATOM 0 HA CYS A 74 -1.895 -21.754 0.795 1.00 0.00 H new ATOM 0 HB2 CYS A 74 0.275 -23.530 0.724 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.902 -24.349 1.732 1.00 0.00 H new ATOM 1039 N PRO A 75 -1.403 -22.564 3.984 1.00 0.00 N ATOM 1040 CA PRO A 75 0.059 -22.469 4.131 1.00 0.00 C ATOM 1041 C PRO A 75 0.772 -23.769 3.760 1.00 0.00 C ATOM 1042 O PRO A 75 0.151 -24.714 3.280 1.00 0.00 O ATOM 1043 CB PRO A 75 0.253 -22.172 5.636 1.00 0.00 C ATOM 1044 CG PRO A 75 -1.127 -22.048 6.209 1.00 0.00 C ATOM 1045 CD PRO A 75 -2.049 -22.764 5.275 1.00 0.00 C ATOM 0 HA PRO A 75 0.479 -21.711 3.470 1.00 0.00 H new ATOM 0 HB2 PRO A 75 0.809 -22.973 6.124 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.822 -21.254 5.783 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.172 -22.485 7.207 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.412 -21.001 6.306 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -2.140 -23.821 5.525 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -3.055 -22.344 5.296 1.00 0.00 H new ATOM 1053 N PRO A 76 2.095 -23.838 4.007 1.00 0.00 N ATOM 1054 CA PRO A 76 2.899 -25.017 3.717 1.00 0.00 C ATOM 1055 C PRO A 76 2.112 -26.320 3.775 1.00 0.00 C ATOM 1056 O PRO A 76 1.106 -26.431 4.475 1.00 0.00 O ATOM 1057 CB PRO A 76 3.947 -24.941 4.818 1.00 0.00 C ATOM 1058 CG PRO A 76 4.215 -23.475 4.948 1.00 0.00 C ATOM 1059 CD PRO A 76 2.918 -22.769 4.610 1.00 0.00 C ATOM 0 HA PRO A 76 3.300 -25.021 2.703 1.00 0.00 H new ATOM 0 HB2 PRO A 76 3.579 -25.366 5.752 1.00 0.00 H new ATOM 0 HB3 PRO A 76 4.849 -25.491 4.551 1.00 0.00 H new ATOM 0 HG2 PRO A 76 4.539 -23.228 5.959 1.00 0.00 H new ATOM 0 HG3 PRO A 76 5.013 -23.165 4.273 1.00 0.00 H new ATOM 0 HD2 PRO A 76 2.445 -22.350 5.498 1.00 0.00 H new ATOM 0 HD3 PRO A 76 3.078 -21.945 3.915 1.00 0.00 H new ATOM 1067 N GLY A 77 2.576 -27.291 3.003 1.00 0.00 N ATOM 1068 CA GLY A 77 1.910 -28.574 2.924 1.00 0.00 C ATOM 1069 C GLY A 77 1.387 -28.811 1.522 1.00 0.00 C ATOM 1070 O GLY A 77 1.004 -29.924 1.164 1.00 0.00 O ATOM 0 H GLY A 77 3.412 -27.211 2.424 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.603 -29.369 3.200 1.00 0.00 H new ATOM 0 HA3 GLY A 77 1.086 -28.608 3.637 1.00 0.00 H new ATOM 1074 N HIS A 78 1.388 -27.740 0.731 1.00 0.00 N ATOM 1075 CA HIS A 78 0.932 -27.781 -0.647 1.00 0.00 C ATOM 1076 C HIS A 78 2.075 -27.357 -1.578 1.00 0.00 C ATOM 1077 O HIS A 78 3.199 -27.839 -1.437 1.00 0.00 O ATOM 1078 CB HIS A 78 -0.287 -26.864 -0.807 1.00 0.00 C ATOM 1079 CG HIS A 78 -1.223 -27.289 -1.895 1.00 0.00 C ATOM 1080 ND1 HIS A 78 -1.294 -28.585 -2.362 1.00 0.00 N ATOM 1081 CD2 HIS A 78 -2.136 -26.585 -2.604 1.00 0.00 C ATOM 1082 CE1 HIS A 78 -2.209 -28.659 -3.312 1.00 0.00 C ATOM 1083 NE2 HIS A 78 -2.736 -27.459 -3.478 1.00 0.00 N ATOM 0 H HIS A 78 1.707 -26.819 1.033 1.00 0.00 H new ATOM 0 HA HIS A 78 0.635 -28.795 -0.914 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -0.832 -26.831 0.136 1.00 0.00 H new ATOM 0 HB3 HIS A 78 0.057 -25.850 -1.012 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -2.353 -25.532 -2.502 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -2.480 -29.549 -3.860 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -3.469 -27.220 -4.146 1.00 0.00 H new ATOM 1092 N GLN A 79 1.802 -26.451 -2.515 1.00 0.00 N ATOM 1093 CA GLN A 79 2.829 -25.975 -3.434 1.00 0.00 C ATOM 1094 C GLN A 79 2.531 -24.542 -3.858 1.00 0.00 C ATOM 1095 O GLN A 79 2.116 -24.292 -4.989 1.00 0.00 O ATOM 1096 CB GLN A 79 2.908 -26.880 -4.665 1.00 0.00 C ATOM 1097 CG GLN A 79 4.084 -27.843 -4.635 1.00 0.00 C ATOM 1098 CD GLN A 79 5.102 -27.554 -5.721 1.00 0.00 C ATOM 1099 OE1 GLN A 79 5.722 -28.467 -6.266 1.00 0.00 O ATOM 1100 NE2 GLN A 79 5.279 -26.277 -6.040 1.00 0.00 N ATOM 0 H GLN A 79 0.882 -26.034 -2.656 1.00 0.00 H new ATOM 0 HA GLN A 79 3.790 -26.000 -2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.983 -27.451 -4.746 1.00 0.00 H new ATOM 0 HB3 GLN A 79 2.979 -26.260 -5.558 1.00 0.00 H new ATOM 0 HG2 GLN A 79 4.571 -27.786 -3.661 1.00 0.00 H new ATOM 0 HG3 GLN A 79 3.717 -28.863 -4.749 1.00 0.00 H new ATOM 0 HE21 GLN A 79 4.743 -25.553 -5.562 1.00 0.00 H new ATOM 0 HE22 GLN A 79 5.951 -26.020 -6.763 1.00 0.00 H new ATOM 1109 N LEU A 80 2.728 -23.603 -2.936 1.00 0.00 N ATOM 1110 CA LEU A 80 2.458 -22.200 -3.216 1.00 0.00 C ATOM 1111 C LEU A 80 3.631 -21.525 -3.907 1.00 0.00 C ATOM 1112 O LEU A 80 4.760 -21.547 -3.417 1.00 0.00 O ATOM 1113 CB LEU A 80 2.097 -21.453 -1.930 1.00 0.00 C ATOM 1114 CG LEU A 80 1.693 -19.981 -2.095 1.00 0.00 C ATOM 1115 CD1 LEU A 80 1.433 -19.623 -3.552 1.00 0.00 C ATOM 1116 CD2 LEU A 80 0.465 -19.682 -1.248 1.00 0.00 C ATOM 0 H LEU A 80 3.072 -23.789 -1.994 1.00 0.00 H new ATOM 0 HA LEU A 80 1.608 -22.163 -3.897 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.276 -21.982 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 80 2.951 -21.501 -1.254 1.00 0.00 H new ATOM 0 HG LEU A 80 2.526 -19.367 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 80 1.150 -18.573 -3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 80 2.337 -19.796 -4.136 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.626 -20.244 -3.941 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.185 -18.636 -1.370 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.360 -20.319 -1.566 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.690 -19.877 -0.199 1.00 0.00 H new ATOM 1128 N SER A 81 3.340 -20.915 -5.046 1.00 0.00 N ATOM 1129 CA SER A 81 4.344 -20.213 -5.826 1.00 0.00 C ATOM 1130 C SER A 81 4.918 -19.039 -5.041 1.00 0.00 C ATOM 1131 O SER A 81 4.177 -18.248 -4.457 1.00 0.00 O ATOM 1132 CB SER A 81 3.723 -19.704 -7.123 1.00 0.00 C ATOM 1133 OG SER A 81 3.361 -18.339 -7.005 1.00 0.00 O ATOM 0 H SER A 81 2.405 -20.893 -5.453 1.00 0.00 H new ATOM 0 HA SER A 81 5.153 -20.908 -6.052 1.00 0.00 H new ATOM 0 HB2 SER A 81 4.430 -19.828 -7.943 1.00 0.00 H new ATOM 0 HB3 SER A 81 2.843 -20.299 -7.368 1.00 0.00 H new ATOM 0 HG SER A 81 2.708 -18.235 -6.282 1.00 0.00 H new ATOM 1139 N PRO A 82 6.250 -18.910 -5.020 1.00 0.00 N ATOM 1140 CA PRO A 82 6.927 -17.826 -4.308 1.00 0.00 C ATOM 1141 C PRO A 82 6.291 -16.468 -4.578 1.00 0.00 C ATOM 1142 O PRO A 82 6.024 -15.702 -3.650 1.00 0.00 O ATOM 1143 CB PRO A 82 8.343 -17.869 -4.874 1.00 0.00 C ATOM 1144 CG PRO A 82 8.550 -19.292 -5.267 1.00 0.00 C ATOM 1145 CD PRO A 82 7.201 -19.812 -5.693 1.00 0.00 C ATOM 0 HA PRO A 82 6.877 -17.954 -3.227 1.00 0.00 H new ATOM 0 HB2 PRO A 82 8.448 -17.202 -5.730 1.00 0.00 H new ATOM 0 HB3 PRO A 82 9.076 -17.552 -4.132 1.00 0.00 H new ATOM 0 HG2 PRO A 82 9.272 -19.370 -6.080 1.00 0.00 H new ATOM 0 HG3 PRO A 82 8.945 -19.872 -4.433 1.00 0.00 H new ATOM 0 HD2 PRO A 82 7.084 -19.781 -6.776 1.00 0.00 H new ATOM 0 HD3 PRO A 82 7.056 -20.848 -5.386 1.00 0.00 H new ATOM 1153 N ASN A 83 6.053 -16.169 -5.853 1.00 0.00 N ATOM 1154 CA ASN A 83 5.452 -14.896 -6.234 1.00 0.00 C ATOM 1155 C ASN A 83 4.701 -15.003 -7.558 1.00 0.00 C ATOM 1156 O ASN A 83 4.649 -14.045 -8.328 1.00 0.00 O ATOM 1157 CB ASN A 83 6.528 -13.814 -6.333 1.00 0.00 C ATOM 1158 CG ASN A 83 6.948 -13.291 -4.974 1.00 0.00 C ATOM 1159 OD1 ASN A 83 8.136 -13.257 -4.649 1.00 0.00 O ATOM 1160 ND2 ASN A 83 5.975 -12.881 -4.170 1.00 0.00 N ATOM 0 H ASN A 83 6.266 -16.788 -6.635 1.00 0.00 H new ATOM 0 HA ASN A 83 4.733 -14.625 -5.461 1.00 0.00 H new ATOM 0 HB2 ASN A 83 7.399 -14.218 -6.849 1.00 0.00 H new ATOM 0 HB3 ASN A 83 6.154 -12.988 -6.938 1.00 0.00 H new ATOM 0 HD21 ASN A 83 6.198 -12.520 -3.242 1.00 0.00 H new ATOM 0 HD22 ASN A 83 5.004 -12.927 -4.480 1.00 0.00 H new ATOM 1167 N ILE A 84 4.105 -16.165 -7.814 1.00 0.00 N ATOM 1168 CA ILE A 84 3.346 -16.370 -9.043 1.00 0.00 C ATOM 1169 C ILE A 84 1.849 -16.269 -8.768 1.00 0.00 C ATOM 1170 O ILE A 84 1.042 -16.161 -9.691 1.00 0.00 O ATOM 1171 CB ILE A 84 3.659 -17.727 -9.708 1.00 0.00 C ATOM 1172 CG1 ILE A 84 5.167 -17.887 -9.920 1.00 0.00 C ATOM 1173 CG2 ILE A 84 2.922 -17.845 -11.034 1.00 0.00 C ATOM 1174 CD1 ILE A 84 5.972 -17.857 -8.639 1.00 0.00 C ATOM 0 H ILE A 84 4.133 -16.973 -7.192 1.00 0.00 H new ATOM 0 HA ILE A 84 3.648 -15.584 -9.735 1.00 0.00 H new ATOM 0 HB ILE A 84 3.319 -18.524 -9.046 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.354 -18.830 -10.433 1.00 0.00 H new ATOM 0 HG13 ILE A 84 5.518 -17.091 -10.577 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.151 -18.807 -11.493 1.00 0.00 H new ATOM 0 HG22 ILE A 84 1.848 -17.772 -10.861 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.238 -17.041 -11.699 1.00 0.00 H new ATOM 0 HD11 ILE A 84 7.030 -17.976 -8.871 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.817 -16.904 -8.134 1.00 0.00 H new ATOM 0 HD13 ILE A 84 5.650 -18.669 -7.988 1.00 0.00 H new ATOM 1186 N SER A 85 1.492 -16.277 -7.485 1.00 0.00 N ATOM 1187 CA SER A 85 0.097 -16.156 -7.069 1.00 0.00 C ATOM 1188 C SER A 85 -0.746 -17.353 -7.510 1.00 0.00 C ATOM 1189 O SER A 85 -1.381 -17.308 -8.563 1.00 0.00 O ATOM 1190 CB SER A 85 -0.504 -14.865 -7.636 1.00 0.00 C ATOM 1191 OG SER A 85 0.421 -14.184 -8.465 1.00 0.00 O ATOM 0 H SER A 85 2.153 -16.366 -6.713 1.00 0.00 H new ATOM 0 HA SER A 85 0.084 -16.129 -5.979 1.00 0.00 H new ATOM 0 HB2 SER A 85 -1.402 -15.100 -8.207 1.00 0.00 H new ATOM 0 HB3 SER A 85 -0.809 -14.214 -6.817 1.00 0.00 H new ATOM 0 HG SER A 85 0.365 -14.538 -9.377 1.00 0.00 H new ATOM 1197 N ALA A 86 -0.768 -18.411 -6.685 1.00 0.00 N ATOM 1198 CA ALA A 86 -1.559 -19.613 -6.984 1.00 0.00 C ATOM 1199 C ALA A 86 -0.939 -20.875 -6.386 1.00 0.00 C ATOM 1200 O ALA A 86 0.039 -21.402 -6.915 1.00 0.00 O ATOM 1201 CB ALA A 86 -1.716 -19.794 -8.488 1.00 0.00 C ATOM 0 H ALA A 86 -0.249 -18.458 -5.808 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.537 -19.465 -6.527 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -2.305 -20.689 -8.687 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -2.223 -18.925 -8.908 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -0.733 -19.897 -8.947 1.00 0.00 H new ATOM 1207 N CYS A 87 -1.521 -21.373 -5.294 1.00 0.00 N ATOM 1208 CA CYS A 87 -1.022 -22.588 -4.660 1.00 0.00 C ATOM 1209 C CYS A 87 -1.328 -23.809 -5.519 1.00 0.00 C ATOM 1210 O CYS A 87 -2.356 -23.865 -6.195 1.00 0.00 O ATOM 1211 CB CYS A 87 -1.625 -22.769 -3.262 1.00 0.00 C ATOM 1212 SG CYS A 87 -0.496 -23.576 -2.076 1.00 0.00 S ATOM 0 H CYS A 87 -2.331 -20.956 -4.836 1.00 0.00 H new ATOM 0 HA CYS A 87 0.059 -22.488 -4.560 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -1.912 -21.793 -2.871 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -2.537 -23.361 -3.343 1.00 0.00 H new ATOM 1217 N ILE A 88 -0.425 -24.782 -5.494 1.00 0.00 N ATOM 1218 CA ILE A 88 -0.592 -26.003 -6.273 1.00 0.00 C ATOM 1219 C ILE A 88 -0.875 -27.198 -5.372 1.00 0.00 C ATOM 1220 O ILE A 88 -1.703 -28.049 -5.761 1.00 0.00 O ATOM 1221 CB ILE A 88 0.660 -26.302 -7.121 1.00 0.00 C ATOM 1222 CG1 ILE A 88 1.166 -25.025 -7.796 1.00 0.00 C ATOM 1223 CG2 ILE A 88 0.354 -27.372 -8.157 1.00 0.00 C ATOM 1224 CD1 ILE A 88 2.039 -25.286 -9.003 1.00 0.00 C ATOM 1225 OXT ILE A 88 -0.267 -27.276 -4.284 1.00 0.00 O ATOM 0 H ILE A 88 0.432 -24.749 -4.942 1.00 0.00 H new ATOM 0 HA ILE A 88 -1.443 -25.841 -6.934 1.00 0.00 H new ATOM 0 HB ILE A 88 1.445 -26.675 -6.463 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.311 -24.421 -8.100 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.729 -24.438 -7.070 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.248 -27.572 -8.748 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.039 -28.286 -7.654 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.445 -27.026 -8.813 1.00 0.00 H new ATOM 0 HD11 ILE A 88 2.361 -24.337 -9.431 1.00 0.00 H new ATOM 0 HD12 ILE A 88 2.913 -25.864 -8.702 1.00 0.00 H new ATOM 0 HD13 ILE A 88 1.473 -25.846 -9.747 1.00 0.00 H new