USER MOD reduce.3.24.130724 H: found=0, std=0, add=698, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 695 hydrogens (30 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 NoAdj-H: A 39 HIS HE2 : A 39 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD NoAdj-H: A 63 HIS HE2 : A 63 HIS NE2 : A 95 HEMFE :(H bumps) USER MOD Set 1.1: A 71 SER OG : rot 180:sc= 0.0554 USER MOD Set 1.2: A 95 HEM CMB :methyl 150:sc= -4.83 (180deg=-4.83) USER MOD Set 2.1: A 15 HIS : no HD1:sc= -7.15! C(o=-6.2!,f=-11!) USER MOD Set 2.2: A 20 SER OG : rot -135:sc= 0.926 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 128:sc= -3.61! USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.0613 F(o=-0.72,f=-0.061) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ -153:sc= 0.574 (180deg=-0.148) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.0992) USER MOD Single : A 21 THR OG1 : rot 108:sc= 0.269 USER MOD Single : A 26 HIS : no HD1:sc= -0.544 X(o=-0.54,f=-0.25) USER MOD Single : A 27 HIS :FLIP no HE2:sc= -7.21! C(o=-7.8!,f=-7.2!) USER MOD Single : A 28 LYS NZ :NH3+ -163:sc= -0.0329 (180deg=-0.447) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot -106:sc= 0.756 USER MOD Single : A 34 LYS NZ :NH3+ -166:sc=-0.000377 (180deg=-0.122) USER MOD Single : A 49 GLN : amide:sc= -1.37 K(o=-1.4,f=-3.5!) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=-0.45) USER MOD Single : A 64 SER OG : rot -112:sc= 0.872 USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.0022 USER MOD Single : A 72 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.072) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot -91:sc= 0.0227 USER MOD Single : A 80 HIS : no HE2:sc= -7.47! C(o=-7.5!,f=-8!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 HEM CMA :methyl -30:sc= -1.16 (180deg=-1.96!) USER MOD Single : A 95 HEM CMC :methyl -30:sc= -1.65 (180deg=-4.04!) USER MOD Single : A 95 HEM CMD :methyl 150:sc=-0.00414 (180deg=-0.00414) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 4 15.448 13.195 -27.169 1.00 0.00 N ATOM 2 CA VAL A 4 15.007 14.127 -26.145 1.00 0.00 C ATOM 3 C VAL A 4 16.143 14.355 -25.146 1.00 0.00 C ATOM 4 O VAL A 4 17.087 13.570 -25.085 1.00 0.00 O ATOM 5 CB VAL A 4 13.725 13.611 -25.486 1.00 0.00 C ATOM 6 CG1 VAL A 4 13.992 13.154 -24.050 1.00 0.00 C ATOM 7 CG2 VAL A 4 12.623 14.672 -25.527 1.00 0.00 C ATOM 0 HA VAL A 4 14.764 15.094 -26.586 1.00 0.00 H new ATOM 0 HB VAL A 4 13.381 12.747 -26.054 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.065 12.792 -23.605 1.00 0.00 H new ATOM 0 HG12 VAL A 4 14.730 12.352 -24.055 1.00 0.00 H new ATOM 0 HG13 VAL A 4 14.372 13.992 -23.466 1.00 0.00 H new ATOM 0 HG21 VAL A 4 11.723 14.280 -25.053 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.956 15.563 -24.994 1.00 0.00 H new ATOM 0 HG23 VAL A 4 12.404 14.929 -26.563 1.00 0.00 H new ATOM 17 N LYS A 5 16.014 15.435 -24.389 1.00 0.00 N ATOM 18 CA LYS A 5 17.017 15.777 -23.396 1.00 0.00 C ATOM 19 C LYS A 5 16.705 15.046 -22.089 1.00 0.00 C ATOM 20 O LYS A 5 15.636 15.230 -21.509 1.00 0.00 O ATOM 21 CB LYS A 5 17.123 17.296 -23.241 1.00 0.00 C ATOM 22 CG LYS A 5 18.288 17.674 -22.325 1.00 0.00 C ATOM 23 CD LYS A 5 19.122 18.800 -22.938 1.00 0.00 C ATOM 24 CE LYS A 5 18.672 20.165 -22.414 1.00 0.00 C ATOM 25 NZ LYS A 5 18.680 21.167 -23.503 1.00 0.00 N ATOM 0 H LYS A 5 15.229 16.085 -24.444 1.00 0.00 H new ATOM 0 HA LYS A 5 18.003 15.444 -23.721 1.00 0.00 H new ATOM 0 HB2 LYS A 5 17.261 17.756 -24.219 1.00 0.00 H new ATOM 0 HB3 LYS A 5 16.192 17.689 -22.832 1.00 0.00 H new ATOM 0 HG2 LYS A 5 17.905 17.987 -21.354 1.00 0.00 H new ATOM 0 HG3 LYS A 5 18.918 16.802 -22.153 1.00 0.00 H new ATOM 0 HD2 LYS A 5 20.175 18.646 -22.704 1.00 0.00 H new ATOM 0 HD3 LYS A 5 19.030 18.775 -24.024 1.00 0.00 H new ATOM 0 HE2 LYS A 5 17.670 20.087 -21.991 1.00 0.00 H new ATOM 0 HE3 LYS A 5 19.333 20.488 -21.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 18.372 22.088 -23.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 19.642 21.254 -23.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 18.031 20.865 -24.258 1.00 0.00 H new ATOM 39 N TYR A 6 17.659 14.230 -21.662 1.00 0.00 N ATOM 40 CA TYR A 6 17.499 13.470 -20.435 1.00 0.00 C ATOM 41 C TYR A 6 17.648 14.373 -19.208 1.00 0.00 C ATOM 42 O TYR A 6 18.508 14.137 -18.360 1.00 0.00 O ATOM 43 CB TYR A 6 18.625 12.435 -20.430 1.00 0.00 C ATOM 44 CG TYR A 6 18.243 11.096 -21.068 1.00 0.00 C ATOM 45 CD1 TYR A 6 16.974 10.585 -20.889 1.00 0.00 C ATOM 46 CD2 TYR A 6 19.167 10.402 -21.821 1.00 0.00 C ATOM 47 CE1 TYR A 6 16.613 9.327 -21.489 1.00 0.00 C ATOM 48 CE2 TYR A 6 18.807 9.143 -22.421 1.00 0.00 C ATOM 49 CZ TYR A 6 17.548 8.668 -22.224 1.00 0.00 C ATOM 50 OH TYR A 6 17.208 7.478 -22.791 1.00 0.00 O ATOM 0 H TYR A 6 18.545 14.079 -22.145 1.00 0.00 H new ATOM 0 HA TYR A 6 16.510 13.013 -20.393 1.00 0.00 H new ATOM 0 HB2 TYR A 6 19.485 12.846 -20.959 1.00 0.00 H new ATOM 0 HB3 TYR A 6 18.939 12.259 -19.401 1.00 0.00 H new ATOM 0 HD1 TYR A 6 16.251 11.129 -20.299 1.00 0.00 H new ATOM 0 HD2 TYR A 6 20.160 10.803 -21.961 1.00 0.00 H new ATOM 0 HE1 TYR A 6 15.623 8.916 -21.358 1.00 0.00 H new ATOM 0 HE2 TYR A 6 19.520 8.589 -23.013 1.00 0.00 H new ATOM 0 HH TYR A 6 17.974 7.122 -23.288 1.00 0.00 H new ATOM 60 N TYR A 7 16.796 15.386 -19.152 1.00 0.00 N ATOM 61 CA TYR A 7 16.822 16.325 -18.043 1.00 0.00 C ATOM 62 C TYR A 7 16.472 15.628 -16.726 1.00 0.00 C ATOM 63 O TYR A 7 15.469 14.922 -16.642 1.00 0.00 O ATOM 64 CB TYR A 7 15.752 17.373 -18.353 1.00 0.00 C ATOM 65 CG TYR A 7 14.824 16.992 -19.508 1.00 0.00 C ATOM 66 CD1 TYR A 7 13.815 16.072 -19.309 1.00 0.00 C ATOM 67 CD2 TYR A 7 14.997 17.568 -20.750 1.00 0.00 C ATOM 68 CE1 TYR A 7 12.942 15.714 -20.397 1.00 0.00 C ATOM 69 CE2 TYR A 7 14.124 17.210 -21.838 1.00 0.00 C ATOM 70 CZ TYR A 7 13.140 16.300 -21.607 1.00 0.00 C ATOM 71 OH TYR A 7 12.314 15.962 -22.634 1.00 0.00 O ATOM 0 H TYR A 7 16.083 15.577 -19.856 1.00 0.00 H new ATOM 0 HA TYR A 7 17.815 16.762 -17.933 1.00 0.00 H new ATOM 0 HB2 TYR A 7 15.152 17.540 -17.458 1.00 0.00 H new ATOM 0 HB3 TYR A 7 16.241 18.318 -18.590 1.00 0.00 H new ATOM 0 HD1 TYR A 7 13.680 15.620 -18.337 1.00 0.00 H new ATOM 0 HD2 TYR A 7 15.787 18.287 -20.906 1.00 0.00 H new ATOM 0 HE1 TYR A 7 12.148 14.996 -20.254 1.00 0.00 H new ATOM 0 HE2 TYR A 7 14.248 17.654 -22.815 1.00 0.00 H new ATOM 0 HH TYR A 7 11.941 16.775 -23.035 1.00 0.00 H new ATOM 81 N THR A 8 17.319 15.852 -15.732 1.00 0.00 N ATOM 82 CA THR A 8 17.112 15.255 -14.424 1.00 0.00 C ATOM 83 C THR A 8 16.041 16.027 -13.649 1.00 0.00 C ATOM 84 O THR A 8 15.801 17.202 -13.920 1.00 0.00 O ATOM 85 CB THR A 8 18.462 15.204 -13.708 1.00 0.00 C ATOM 86 OG1 THR A 8 18.793 16.574 -13.493 1.00 0.00 O ATOM 87 CG2 THR A 8 19.584 14.687 -14.610 1.00 0.00 C ATOM 0 H THR A 8 18.150 16.439 -15.806 1.00 0.00 H new ATOM 0 HA THR A 8 16.735 14.236 -14.510 1.00 0.00 H new ATOM 0 HB THR A 8 18.382 14.567 -12.827 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.655 16.634 -13.031 1.00 0.00 H new ATOM 0 HG21 THR A 8 20.521 14.671 -14.053 1.00 0.00 H new ATOM 0 HG22 THR A 8 19.345 13.678 -14.947 1.00 0.00 H new ATOM 0 HG23 THR A 8 19.687 15.343 -15.474 1.00 0.00 H new ATOM 95 N LEU A 9 15.427 15.334 -12.701 1.00 0.00 N ATOM 96 CA LEU A 9 14.389 15.939 -11.885 1.00 0.00 C ATOM 97 C LEU A 9 14.766 17.390 -11.581 1.00 0.00 C ATOM 98 O LEU A 9 13.894 18.248 -11.449 1.00 0.00 O ATOM 99 CB LEU A 9 14.129 15.096 -10.635 1.00 0.00 C ATOM 100 CG LEU A 9 15.145 13.987 -10.352 1.00 0.00 C ATOM 101 CD1 LEU A 9 16.550 14.565 -10.174 1.00 0.00 C ATOM 102 CD2 LEU A 9 14.716 13.145 -9.148 1.00 0.00 C ATOM 0 H LEU A 9 15.629 14.359 -12.480 1.00 0.00 H new ATOM 0 HA LEU A 9 13.444 15.962 -12.427 1.00 0.00 H new ATOM 0 HB2 LEU A 9 14.097 15.761 -9.772 1.00 0.00 H new ATOM 0 HB3 LEU A 9 13.142 14.643 -10.725 1.00 0.00 H new ATOM 0 HG LEU A 9 15.176 13.323 -11.216 1.00 0.00 H new ATOM 0 HD11 LEU A 9 17.253 13.757 -9.974 1.00 0.00 H new ATOM 0 HD12 LEU A 9 16.847 15.087 -11.084 1.00 0.00 H new ATOM 0 HD13 LEU A 9 16.553 15.264 -9.337 1.00 0.00 H new ATOM 0 HD21 LEU A 9 15.455 12.364 -8.968 1.00 0.00 H new ATOM 0 HD22 LEU A 9 14.640 13.782 -8.267 1.00 0.00 H new ATOM 0 HD23 LEU A 9 13.747 12.688 -9.350 1.00 0.00 H new ATOM 114 N GLU A 10 16.067 17.621 -11.478 1.00 0.00 N ATOM 115 CA GLU A 10 16.571 18.953 -11.191 1.00 0.00 C ATOM 116 C GLU A 10 15.819 19.995 -12.022 1.00 0.00 C ATOM 117 O GLU A 10 15.662 21.138 -11.597 1.00 0.00 O ATOM 118 CB GLU A 10 18.078 19.035 -11.442 1.00 0.00 C ATOM 119 CG GLU A 10 18.730 20.074 -10.528 1.00 0.00 C ATOM 120 CD GLU A 10 19.711 20.952 -11.307 1.00 0.00 C ATOM 121 OE1 GLU A 10 19.245 21.971 -11.859 1.00 0.00 O ATOM 122 OE2 GLU A 10 20.905 20.583 -11.332 1.00 0.00 O ATOM 0 H GLU A 10 16.787 16.907 -11.588 1.00 0.00 H new ATOM 0 HA GLU A 10 16.400 19.166 -10.136 1.00 0.00 H new ATOM 0 HB2 GLU A 10 18.532 18.059 -11.271 1.00 0.00 H new ATOM 0 HB3 GLU A 10 18.263 19.295 -12.484 1.00 0.00 H new ATOM 0 HG2 GLU A 10 17.960 20.698 -10.074 1.00 0.00 H new ATOM 0 HG3 GLU A 10 19.253 19.571 -9.715 1.00 0.00 H new ATOM 129 N GLU A 11 15.374 19.563 -13.194 1.00 0.00 N ATOM 130 CA GLU A 11 14.643 20.443 -14.089 1.00 0.00 C ATOM 131 C GLU A 11 13.137 20.225 -13.934 1.00 0.00 C ATOM 132 O GLU A 11 12.388 21.176 -13.716 1.00 0.00 O ATOM 133 CB GLU A 11 15.081 20.237 -15.540 1.00 0.00 C ATOM 134 CG GLU A 11 16.603 20.130 -15.644 1.00 0.00 C ATOM 135 CD GLU A 11 17.285 21.269 -14.883 1.00 0.00 C ATOM 136 OE1 GLU A 11 17.027 22.434 -15.253 1.00 0.00 O ATOM 137 OE2 GLU A 11 18.050 20.948 -13.948 1.00 0.00 O ATOM 0 H GLU A 11 15.506 18.614 -13.544 1.00 0.00 H new ATOM 0 HA GLU A 11 14.871 21.474 -13.819 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.621 19.332 -15.937 1.00 0.00 H new ATOM 0 HB3 GLU A 11 14.729 21.068 -16.151 1.00 0.00 H new ATOM 0 HG2 GLU A 11 16.932 19.171 -15.243 1.00 0.00 H new ATOM 0 HG3 GLU A 11 16.903 20.157 -16.692 1.00 0.00 H new ATOM 144 N ILE A 12 12.738 18.967 -14.051 1.00 0.00 N ATOM 145 CA ILE A 12 11.334 18.613 -13.927 1.00 0.00 C ATOM 146 C ILE A 12 10.786 19.169 -12.611 1.00 0.00 C ATOM 147 O ILE A 12 9.652 19.644 -12.558 1.00 0.00 O ATOM 148 CB ILE A 12 11.148 17.102 -14.081 1.00 0.00 C ATOM 149 CG1 ILE A 12 11.451 16.655 -15.512 1.00 0.00 C ATOM 150 CG2 ILE A 12 9.749 16.674 -13.630 1.00 0.00 C ATOM 151 CD1 ILE A 12 12.870 16.095 -15.622 1.00 0.00 C ATOM 0 H ILE A 12 13.362 18.180 -14.230 1.00 0.00 H new ATOM 0 HA ILE A 12 10.754 19.067 -14.731 1.00 0.00 H new ATOM 0 HB ILE A 12 11.864 16.601 -13.430 1.00 0.00 H new ATOM 0 HG12 ILE A 12 10.732 15.896 -15.820 1.00 0.00 H new ATOM 0 HG13 ILE A 12 11.335 17.499 -16.193 1.00 0.00 H new ATOM 0 HG21 ILE A 12 9.642 15.596 -13.749 1.00 0.00 H new ATOM 0 HG22 ILE A 12 9.608 16.939 -12.582 1.00 0.00 H new ATOM 0 HG23 ILE A 12 9.000 17.182 -14.237 1.00 0.00 H new ATOM 0 HD11 ILE A 12 13.060 15.784 -16.649 1.00 0.00 H new ATOM 0 HD12 ILE A 12 13.588 16.864 -15.337 1.00 0.00 H new ATOM 0 HD13 ILE A 12 12.975 15.237 -14.958 1.00 0.00 H new ATOM 163 N GLN A 13 11.617 19.093 -11.581 1.00 0.00 N ATOM 164 CA GLN A 13 11.230 19.583 -10.270 1.00 0.00 C ATOM 165 C GLN A 13 11.214 21.113 -10.259 1.00 0.00 C ATOM 166 O GLN A 13 10.474 21.724 -9.490 1.00 0.00 O ATOM 167 CB GLN A 13 12.159 19.037 -9.184 1.00 0.00 C ATOM 168 CG GLN A 13 13.427 19.885 -9.069 1.00 0.00 C ATOM 169 CD GLN A 13 14.297 19.416 -7.900 1.00 0.00 C ATOM 170 OE1 GLN A 13 15.068 18.371 -8.186 1.00 0.00 O flip ATOM 171 NE2 GLN A 13 14.268 19.965 -6.811 1.00 0.00 N flip ATOM 0 H GLN A 13 12.557 18.699 -11.629 1.00 0.00 H new ATOM 0 HA GLN A 13 10.223 19.227 -10.053 1.00 0.00 H new ATOM 0 HB2 GLN A 13 11.638 19.025 -8.227 1.00 0.00 H new ATOM 0 HB3 GLN A 13 12.427 18.006 -9.414 1.00 0.00 H new ATOM 0 HG2 GLN A 13 13.995 19.824 -9.997 1.00 0.00 H new ATOM 0 HG3 GLN A 13 13.157 20.932 -8.929 1.00 0.00 H new ATOM 0 HE21 GLN A 13 13.652 20.764 -6.659 1.00 0.00 H new ATOM 0 HE22 GLN A 13 14.860 19.625 -6.053 1.00 0.00 H new ATOM 180 N LYS A 14 12.041 21.688 -11.120 1.00 0.00 N ATOM 181 CA LYS A 14 12.132 23.135 -11.217 1.00 0.00 C ATOM 182 C LYS A 14 10.865 23.676 -11.884 1.00 0.00 C ATOM 183 O LYS A 14 10.675 24.889 -11.971 1.00 0.00 O ATOM 184 CB LYS A 14 13.423 23.543 -11.929 1.00 0.00 C ATOM 185 CG LYS A 14 14.076 24.741 -11.235 1.00 0.00 C ATOM 186 CD LYS A 14 15.419 24.350 -10.615 1.00 0.00 C ATOM 187 CE LYS A 14 15.954 25.469 -9.718 1.00 0.00 C ATOM 188 NZ LYS A 14 16.877 26.343 -10.475 1.00 0.00 N ATOM 0 H LYS A 14 12.654 21.178 -11.756 1.00 0.00 H new ATOM 0 HA LYS A 14 12.187 23.582 -10.224 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.117 22.703 -11.942 1.00 0.00 H new ATOM 0 HB3 LYS A 14 13.207 23.793 -12.968 1.00 0.00 H new ATOM 0 HG2 LYS A 14 14.224 25.546 -11.954 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.411 25.124 -10.460 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.303 23.436 -10.033 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.140 24.135 -11.404 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.124 26.058 -9.327 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.472 25.040 -8.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 17.231 27.097 -9.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.678 25.780 -10.827 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.372 26.767 -11.279 1.00 0.00 H new ATOM 202 N HIS A 15 10.032 22.752 -12.338 1.00 0.00 N ATOM 203 CA HIS A 15 8.789 23.121 -12.994 1.00 0.00 C ATOM 204 C HIS A 15 7.605 22.572 -12.196 1.00 0.00 C ATOM 205 O HIS A 15 6.814 21.786 -12.715 1.00 0.00 O ATOM 206 CB HIS A 15 8.787 22.660 -14.452 1.00 0.00 C ATOM 207 CG HIS A 15 9.866 23.293 -15.299 1.00 0.00 C ATOM 208 ND1 HIS A 15 9.625 23.801 -16.563 1.00 0.00 N ATOM 209 CD2 HIS A 15 11.191 23.495 -15.048 1.00 0.00 C ATOM 210 CE1 HIS A 15 10.762 24.284 -17.043 1.00 0.00 C ATOM 211 NE2 HIS A 15 11.731 24.093 -16.102 1.00 0.00 N ATOM 0 H HIS A 15 10.193 21.748 -12.265 1.00 0.00 H new ATOM 0 HA HIS A 15 8.694 24.207 -13.017 1.00 0.00 H new ATOM 0 HB2 HIS A 15 8.906 21.577 -14.480 1.00 0.00 H new ATOM 0 HB3 HIS A 15 7.815 22.885 -14.892 1.00 0.00 H new ATOM 0 HD2 HIS A 15 11.712 23.216 -14.144 1.00 0.00 H new ATOM 0 HE1 HIS A 15 10.898 24.747 -18.009 1.00 0.00 H new ATOM 0 HE2 HIS A 15 12.710 24.365 -16.194 1.00 0.00 H new ATOM 219 N LYS A 16 7.521 23.008 -10.947 1.00 0.00 N ATOM 220 CA LYS A 16 6.445 22.570 -10.073 1.00 0.00 C ATOM 221 C LYS A 16 5.483 23.734 -9.832 1.00 0.00 C ATOM 222 O LYS A 16 5.339 24.202 -8.703 1.00 0.00 O ATOM 223 CB LYS A 16 7.015 21.965 -8.788 1.00 0.00 C ATOM 224 CG LYS A 16 5.894 21.598 -7.812 1.00 0.00 C ATOM 225 CD LYS A 16 6.270 21.977 -6.378 1.00 0.00 C ATOM 226 CE LYS A 16 5.770 23.381 -6.033 1.00 0.00 C ATOM 227 NZ LYS A 16 6.795 24.393 -6.370 1.00 0.00 N ATOM 0 H LYS A 16 8.180 23.659 -10.520 1.00 0.00 H new ATOM 0 HA LYS A 16 5.869 21.775 -10.545 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.599 21.076 -9.028 1.00 0.00 H new ATOM 0 HB3 LYS A 16 7.694 22.676 -8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 16 4.975 22.110 -8.098 1.00 0.00 H new ATOM 0 HG3 LYS A 16 5.693 20.528 -7.869 1.00 0.00 H new ATOM 0 HD2 LYS A 16 5.843 21.254 -5.683 1.00 0.00 H new ATOM 0 HD3 LYS A 16 7.353 21.933 -6.258 1.00 0.00 H new ATOM 0 HE2 LYS A 16 4.850 23.590 -6.579 1.00 0.00 H new ATOM 0 HE3 LYS A 16 5.530 23.437 -4.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 6.677 25.224 -5.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 7.742 23.988 -6.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 6.687 24.679 -7.364 1.00 0.00 H new ATOM 241 N ASP A 17 4.849 24.169 -10.911 1.00 0.00 N ATOM 242 CA ASP A 17 3.905 25.271 -10.830 1.00 0.00 C ATOM 243 C ASP A 17 2.831 25.095 -11.906 1.00 0.00 C ATOM 244 O ASP A 17 2.995 24.297 -12.828 1.00 0.00 O ATOM 245 CB ASP A 17 4.600 26.611 -11.070 1.00 0.00 C ATOM 246 CG ASP A 17 4.750 27.494 -9.829 1.00 0.00 C ATOM 247 OD1 ASP A 17 4.459 26.978 -8.729 1.00 0.00 O ATOM 248 OD2 ASP A 17 5.151 28.664 -10.010 1.00 0.00 O ATOM 0 H ASP A 17 4.970 23.779 -11.846 1.00 0.00 H new ATOM 0 HA ASP A 17 3.466 25.267 -9.832 1.00 0.00 H new ATOM 0 HB2 ASP A 17 5.590 26.420 -11.484 1.00 0.00 H new ATOM 0 HB3 ASP A 17 4.040 27.163 -11.825 1.00 0.00 H new ATOM 253 N SER A 18 1.756 25.854 -11.753 1.00 0.00 N ATOM 254 CA SER A 18 0.655 25.792 -12.700 1.00 0.00 C ATOM 255 C SER A 18 1.142 26.196 -14.094 1.00 0.00 C ATOM 256 O SER A 18 0.690 25.645 -15.096 1.00 0.00 O ATOM 257 CB SER A 18 -0.501 26.691 -12.259 1.00 0.00 C ATOM 258 OG SER A 18 -0.098 28.051 -12.121 1.00 0.00 O ATOM 0 H SER A 18 1.624 26.515 -10.988 1.00 0.00 H new ATOM 0 HA SER A 18 0.288 24.766 -12.734 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.310 26.625 -12.987 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.897 26.332 -11.309 1.00 0.00 H new ATOM 0 HG SER A 18 -0.865 28.593 -11.840 1.00 0.00 H new ATOM 264 N LYS A 19 2.054 27.157 -14.111 1.00 0.00 N ATOM 265 CA LYS A 19 2.605 27.641 -15.365 1.00 0.00 C ATOM 266 C LYS A 19 3.365 26.507 -16.055 1.00 0.00 C ATOM 267 O LYS A 19 3.151 26.241 -17.238 1.00 0.00 O ATOM 268 CB LYS A 19 3.452 28.894 -15.129 1.00 0.00 C ATOM 269 CG LYS A 19 3.309 29.880 -16.291 1.00 0.00 C ATOM 270 CD LYS A 19 4.114 29.416 -17.506 1.00 0.00 C ATOM 271 CE LYS A 19 5.612 29.646 -17.292 1.00 0.00 C ATOM 272 NZ LYS A 19 5.941 31.082 -17.428 1.00 0.00 N ATOM 0 H LYS A 19 2.425 27.613 -13.277 1.00 0.00 H new ATOM 0 HA LYS A 19 1.805 27.946 -16.040 1.00 0.00 H new ATOM 0 HB2 LYS A 19 3.146 29.375 -14.200 1.00 0.00 H new ATOM 0 HB3 LYS A 19 4.499 28.613 -15.013 1.00 0.00 H new ATOM 0 HG2 LYS A 19 2.258 29.978 -16.562 1.00 0.00 H new ATOM 0 HG3 LYS A 19 3.651 30.867 -15.979 1.00 0.00 H new ATOM 0 HD2 LYS A 19 3.927 28.358 -17.688 1.00 0.00 H new ATOM 0 HD3 LYS A 19 3.783 29.955 -18.394 1.00 0.00 H new ATOM 0 HE2 LYS A 19 5.902 29.293 -16.303 1.00 0.00 H new ATOM 0 HE3 LYS A 19 6.182 29.066 -18.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 6.972 31.197 -17.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 5.489 31.462 -18.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.593 31.598 -16.595 1.00 0.00 H new ATOM 286 N SER A 20 4.236 25.868 -15.288 1.00 0.00 N ATOM 287 CA SER A 20 5.029 24.769 -15.812 1.00 0.00 C ATOM 288 C SER A 20 4.994 23.588 -14.838 1.00 0.00 C ATOM 289 O SER A 20 5.630 23.628 -13.786 1.00 0.00 O ATOM 290 CB SER A 20 6.474 25.203 -16.067 1.00 0.00 C ATOM 291 OG SER A 20 6.929 24.808 -17.358 1.00 0.00 O ATOM 0 H SER A 20 4.410 26.090 -14.308 1.00 0.00 H new ATOM 0 HA SER A 20 4.598 24.461 -16.764 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.550 26.286 -15.971 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.123 24.770 -15.306 1.00 0.00 H new ATOM 0 HG SER A 20 7.828 24.426 -17.285 1.00 0.00 H new ATOM 297 N THR A 21 4.243 22.567 -15.223 1.00 0.00 N ATOM 298 CA THR A 21 4.117 21.379 -14.398 1.00 0.00 C ATOM 299 C THR A 21 4.093 20.122 -15.271 1.00 0.00 C ATOM 300 O THR A 21 3.319 20.038 -16.224 1.00 0.00 O ATOM 301 CB THR A 21 2.868 21.536 -13.528 1.00 0.00 C ATOM 302 OG1 THR A 21 3.373 21.574 -12.197 1.00 0.00 O ATOM 303 CG2 THR A 21 1.975 20.294 -13.554 1.00 0.00 C ATOM 0 H THR A 21 3.716 22.538 -16.096 1.00 0.00 H new ATOM 0 HA THR A 21 4.978 21.264 -13.739 1.00 0.00 H new ATOM 0 HB THR A 21 2.297 22.400 -13.868 1.00 0.00 H new ATOM 0 HG1 THR A 21 3.292 22.484 -11.842 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.104 20.459 -12.920 1.00 0.00 H new ATOM 0 HG22 THR A 21 1.649 20.101 -14.576 1.00 0.00 H new ATOM 0 HG23 THR A 21 2.535 19.435 -13.184 1.00 0.00 H new ATOM 311 N TRP A 22 4.951 19.177 -14.915 1.00 0.00 N ATOM 312 CA TRP A 22 5.040 17.930 -15.655 1.00 0.00 C ATOM 313 C TRP A 22 4.853 16.778 -14.664 1.00 0.00 C ATOM 314 O TRP A 22 4.575 17.006 -13.488 1.00 0.00 O ATOM 315 CB TRP A 22 6.356 17.843 -16.430 1.00 0.00 C ATOM 316 CG TRP A 22 6.811 19.173 -17.033 1.00 0.00 C ATOM 317 CD1 TRP A 22 6.052 20.140 -17.566 1.00 0.00 C ATOM 318 CD2 TRP A 22 8.170 19.645 -17.148 1.00 0.00 C ATOM 319 NE1 TRP A 22 6.818 21.198 -18.012 1.00 0.00 N ATOM 320 CE2 TRP A 22 8.147 20.887 -17.749 1.00 0.00 C ATOM 321 CE3 TRP A 22 9.378 19.044 -16.755 1.00 0.00 C ATOM 322 CZ2 TRP A 22 9.303 21.633 -18.011 1.00 0.00 C ATOM 323 CZ3 TRP A 22 10.524 19.802 -17.024 1.00 0.00 C ATOM 324 CH2 TRP A 22 10.519 21.053 -17.629 1.00 0.00 C ATOM 0 H TRP A 22 5.591 19.250 -14.124 1.00 0.00 H new ATOM 0 HA TRP A 22 4.255 17.873 -16.409 1.00 0.00 H new ATOM 0 HB2 TRP A 22 7.135 17.473 -15.763 1.00 0.00 H new ATOM 0 HB3 TRP A 22 6.247 17.111 -17.230 1.00 0.00 H new ATOM 0 HD1 TRP A 22 4.975 20.097 -17.638 1.00 0.00 H new ATOM 0 HE1 TRP A 22 6.473 22.050 -18.453 1.00 0.00 H new ATOM 0 HE3 TRP A 22 9.419 18.074 -16.283 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 9.259 22.604 -18.482 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 11.479 19.385 -16.741 1.00 0.00 H new ATOM 0 HH2 TRP A 22 11.448 21.575 -17.804 1.00 0.00 H new ATOM 335 N VAL A 23 5.012 15.567 -15.177 1.00 0.00 N ATOM 336 CA VAL A 23 4.863 14.380 -14.352 1.00 0.00 C ATOM 337 C VAL A 23 5.625 13.220 -14.994 1.00 0.00 C ATOM 338 O VAL A 23 5.226 12.714 -16.042 1.00 0.00 O ATOM 339 CB VAL A 23 3.380 14.074 -14.137 1.00 0.00 C ATOM 340 CG1 VAL A 23 2.745 15.085 -13.180 1.00 0.00 C ATOM 341 CG2 VAL A 23 2.629 14.034 -15.469 1.00 0.00 C ATOM 0 H VAL A 23 5.242 15.382 -16.153 1.00 0.00 H new ATOM 0 HA VAL A 23 5.293 14.545 -13.364 1.00 0.00 H new ATOM 0 HB VAL A 23 3.305 13.087 -13.681 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.690 14.845 -13.044 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.254 15.043 -12.217 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.838 16.088 -13.596 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.577 13.815 -15.287 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.718 15.000 -15.966 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.057 13.259 -16.105 1.00 0.00 H new ATOM 351 N ILE A 24 6.711 12.831 -14.339 1.00 0.00 N ATOM 352 CA ILE A 24 7.532 11.740 -14.834 1.00 0.00 C ATOM 353 C ILE A 24 6.767 10.424 -14.686 1.00 0.00 C ATOM 354 O ILE A 24 6.796 9.800 -13.627 1.00 0.00 O ATOM 355 CB ILE A 24 8.896 11.739 -14.139 1.00 0.00 C ATOM 356 CG1 ILE A 24 8.761 11.345 -12.666 1.00 0.00 C ATOM 357 CG2 ILE A 24 9.598 13.088 -14.309 1.00 0.00 C ATOM 358 CD1 ILE A 24 9.358 9.959 -12.413 1.00 0.00 C ATOM 0 H ILE A 24 7.040 13.252 -13.470 1.00 0.00 H new ATOM 0 HA ILE A 24 7.740 11.871 -15.896 1.00 0.00 H new ATOM 0 HB ILE A 24 9.523 10.986 -14.617 1.00 0.00 H new ATOM 0 HG12 ILE A 24 9.265 12.082 -12.041 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.709 11.350 -12.379 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.565 13.061 -13.806 1.00 0.00 H new ATOM 0 HG22 ILE A 24 9.746 13.290 -15.370 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.984 13.875 -13.872 1.00 0.00 H new ATOM 0 HD11 ILE A 24 9.249 9.703 -11.359 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.835 9.221 -13.022 1.00 0.00 H new ATOM 0 HD13 ILE A 24 10.415 9.964 -12.678 1.00 0.00 H new ATOM 370 N LEU A 25 6.099 10.040 -15.764 1.00 0.00 N ATOM 371 CA LEU A 25 5.327 8.809 -15.769 1.00 0.00 C ATOM 372 C LEU A 25 5.902 7.856 -16.819 1.00 0.00 C ATOM 373 O LEU A 25 6.332 8.289 -17.887 1.00 0.00 O ATOM 374 CB LEU A 25 3.840 9.110 -15.961 1.00 0.00 C ATOM 375 CG LEU A 25 3.461 9.817 -17.263 1.00 0.00 C ATOM 376 CD1 LEU A 25 2.949 8.817 -18.301 1.00 0.00 C ATOM 377 CD2 LEU A 25 2.455 10.940 -17.005 1.00 0.00 C ATOM 0 H LEU A 25 6.077 10.560 -16.641 1.00 0.00 H new ATOM 0 HA LEU A 25 5.405 8.307 -14.805 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.290 8.171 -15.908 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.503 9.724 -15.126 1.00 0.00 H new ATOM 0 HG LEU A 25 4.359 10.278 -17.675 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.686 9.346 -19.217 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.727 8.084 -18.515 1.00 0.00 H new ATOM 0 HD13 LEU A 25 2.068 8.307 -17.911 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.203 11.426 -17.947 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.552 10.524 -16.558 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.892 11.671 -16.325 1.00 0.00 H new ATOM 389 N HIS A 26 5.891 6.575 -16.477 1.00 0.00 N ATOM 390 CA HIS A 26 6.406 5.557 -17.378 1.00 0.00 C ATOM 391 C HIS A 26 7.830 5.919 -17.802 1.00 0.00 C ATOM 392 O HIS A 26 8.242 5.621 -18.922 1.00 0.00 O ATOM 393 CB HIS A 26 5.465 5.358 -18.567 1.00 0.00 C ATOM 394 CG HIS A 26 4.537 4.174 -18.426 1.00 0.00 C ATOM 395 ND1 HIS A 26 3.452 3.969 -19.260 1.00 0.00 N ATOM 396 CD2 HIS A 26 4.546 3.136 -17.541 1.00 0.00 C ATOM 397 CE1 HIS A 26 2.840 2.855 -18.884 1.00 0.00 C ATOM 398 NE2 HIS A 26 3.520 2.340 -17.818 1.00 0.00 N ATOM 0 H HIS A 26 5.534 6.220 -15.590 1.00 0.00 H new ATOM 0 HA HIS A 26 6.452 4.598 -16.861 1.00 0.00 H new ATOM 0 HB2 HIS A 26 4.868 6.260 -18.700 1.00 0.00 H new ATOM 0 HB3 HIS A 26 6.060 5.234 -19.471 1.00 0.00 H new ATOM 0 HD2 HIS A 26 5.265 2.987 -16.749 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.959 2.430 -19.341 1.00 0.00 H new ATOM 0 HE2 HIS A 26 3.279 1.485 -17.317 1.00 0.00 H new ATOM 406 N HIS A 27 8.542 6.557 -16.884 1.00 0.00 N ATOM 407 CA HIS A 27 9.912 6.964 -17.149 1.00 0.00 C ATOM 408 C HIS A 27 9.922 8.089 -18.184 1.00 0.00 C ATOM 409 O HIS A 27 10.983 8.492 -18.660 1.00 0.00 O ATOM 410 CB HIS A 27 10.763 5.763 -17.571 1.00 0.00 C ATOM 411 CG HIS A 27 12.234 6.073 -17.712 1.00 0.00 C ATOM 412 ND1 HIS A 27 12.930 7.220 -17.470 1.00 0.00 N flip ATOM 413 CD2 HIS A 27 13.158 5.140 -18.150 1.00 0.00 C flip ATOM 414 CE1 HIS A 27 14.210 7.000 -17.743 1.00 0.00 C flip ATOM 415 NE2 HIS A 27 14.353 5.710 -18.166 1.00 0.00 N flip ATOM 0 H HIS A 27 8.196 6.802 -15.956 1.00 0.00 H new ATOM 0 HA HIS A 27 10.363 7.353 -16.236 1.00 0.00 H new ATOM 0 HB2 HIS A 27 10.639 4.967 -16.837 1.00 0.00 H new ATOM 0 HB3 HIS A 27 10.390 5.382 -18.521 1.00 0.00 H new ATOM 0 HD1 HIS A 27 12.534 8.099 -17.136 1.00 0.00 H new ATOM 0 HD2 HIS A 27 12.941 4.120 -18.431 1.00 0.00 H new ATOM 0 HE1 HIS A 27 15.007 7.722 -17.646 1.00 0.00 H new ATOM 423 N LYS A 28 8.728 8.567 -18.503 1.00 0.00 N ATOM 424 CA LYS A 28 8.586 9.640 -19.473 1.00 0.00 C ATOM 425 C LYS A 28 7.767 10.775 -18.856 1.00 0.00 C ATOM 426 O LYS A 28 6.635 10.565 -18.424 1.00 0.00 O ATOM 427 CB LYS A 28 8.005 9.104 -20.783 1.00 0.00 C ATOM 428 CG LYS A 28 8.987 8.155 -21.472 1.00 0.00 C ATOM 429 CD LYS A 28 8.305 6.839 -21.852 1.00 0.00 C ATOM 430 CE LYS A 28 9.291 5.886 -22.531 1.00 0.00 C ATOM 431 NZ LYS A 28 9.858 6.508 -23.748 1.00 0.00 N ATOM 0 H LYS A 28 7.850 8.231 -18.107 1.00 0.00 H new ATOM 0 HA LYS A 28 9.561 10.054 -19.729 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.069 8.582 -20.583 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.770 9.935 -21.448 1.00 0.00 H new ATOM 0 HG2 LYS A 28 9.391 8.630 -22.366 1.00 0.00 H new ATOM 0 HG3 LYS A 28 9.829 7.954 -20.810 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.894 6.367 -20.959 1.00 0.00 H new ATOM 0 HD3 LYS A 28 7.468 7.039 -22.521 1.00 0.00 H new ATOM 0 HE2 LYS A 28 10.093 5.630 -21.839 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.786 4.956 -22.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.288 5.773 -24.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.102 6.987 -24.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.584 7.202 -23.477 1.00 0.00 H new ATOM 445 N VAL A 29 8.372 11.954 -18.834 1.00 0.00 N ATOM 446 CA VAL A 29 7.712 13.123 -18.277 1.00 0.00 C ATOM 447 C VAL A 29 6.832 13.766 -19.350 1.00 0.00 C ATOM 448 O VAL A 29 7.230 13.861 -20.510 1.00 0.00 O ATOM 449 CB VAL A 29 8.754 14.085 -17.701 1.00 0.00 C ATOM 450 CG1 VAL A 29 9.863 14.364 -18.717 1.00 0.00 C ATOM 451 CG2 VAL A 29 8.097 15.386 -17.234 1.00 0.00 C ATOM 0 H VAL A 29 9.311 12.125 -19.193 1.00 0.00 H new ATOM 0 HA VAL A 29 7.060 12.838 -17.451 1.00 0.00 H new ATOM 0 HB VAL A 29 9.209 13.608 -16.833 1.00 0.00 H new ATOM 0 HG11 VAL A 29 10.590 15.050 -18.283 1.00 0.00 H new ATOM 0 HG12 VAL A 29 10.358 13.430 -18.981 1.00 0.00 H new ATOM 0 HG13 VAL A 29 9.432 14.811 -19.613 1.00 0.00 H new ATOM 0 HG21 VAL A 29 8.858 16.053 -16.829 1.00 0.00 H new ATOM 0 HG22 VAL A 29 7.604 15.868 -18.078 1.00 0.00 H new ATOM 0 HG23 VAL A 29 7.360 15.165 -16.462 1.00 0.00 H new ATOM 461 N TYR A 30 5.652 14.192 -18.925 1.00 0.00 N ATOM 462 CA TYR A 30 4.712 14.824 -19.834 1.00 0.00 C ATOM 463 C TYR A 30 4.378 16.246 -19.377 1.00 0.00 C ATOM 464 O TYR A 30 4.038 16.464 -18.216 1.00 0.00 O ATOM 465 CB TYR A 30 3.441 13.974 -19.786 1.00 0.00 C ATOM 466 CG TYR A 30 3.579 12.609 -20.463 1.00 0.00 C ATOM 467 CD1 TYR A 30 4.573 11.739 -20.065 1.00 0.00 C ATOM 468 CD2 TYR A 30 2.710 12.249 -21.473 1.00 0.00 C ATOM 469 CE1 TYR A 30 4.704 10.454 -20.703 1.00 0.00 C ATOM 470 CE2 TYR A 30 2.840 10.965 -22.111 1.00 0.00 C ATOM 471 CZ TYR A 30 3.830 10.131 -21.695 1.00 0.00 C ATOM 472 OH TYR A 30 3.953 8.918 -22.298 1.00 0.00 O ATOM 0 H TYR A 30 5.325 14.112 -17.962 1.00 0.00 H new ATOM 0 HA TYR A 30 5.134 14.889 -20.837 1.00 0.00 H new ATOM 0 HB2 TYR A 30 3.155 13.824 -18.745 1.00 0.00 H new ATOM 0 HB3 TYR A 30 2.630 14.524 -20.263 1.00 0.00 H new ATOM 0 HD1 TYR A 30 5.253 12.021 -19.275 1.00 0.00 H new ATOM 0 HD2 TYR A 30 1.932 12.931 -21.785 1.00 0.00 H new ATOM 0 HE1 TYR A 30 5.477 9.763 -20.401 1.00 0.00 H new ATOM 0 HE2 TYR A 30 2.166 10.671 -22.902 1.00 0.00 H new ATOM 0 HH TYR A 30 3.262 8.823 -22.986 1.00 0.00 H new ATOM 482 N ASP A 31 4.486 17.176 -20.316 1.00 0.00 N ATOM 483 CA ASP A 31 4.200 18.570 -20.024 1.00 0.00 C ATOM 484 C ASP A 31 2.709 18.837 -20.244 1.00 0.00 C ATOM 485 O ASP A 31 2.307 19.282 -21.316 1.00 0.00 O ATOM 486 CB ASP A 31 4.988 19.500 -20.949 1.00 0.00 C ATOM 487 CG ASP A 31 4.531 20.959 -20.939 1.00 0.00 C ATOM 488 OD1 ASP A 31 4.195 21.443 -19.838 1.00 0.00 O ATOM 489 OD2 ASP A 31 4.528 21.560 -22.037 1.00 0.00 O ATOM 0 H ASP A 31 4.767 16.991 -21.279 1.00 0.00 H new ATOM 0 HA ASP A 31 4.486 18.763 -18.990 1.00 0.00 H new ATOM 0 HB2 ASP A 31 6.040 19.462 -20.667 1.00 0.00 H new ATOM 0 HB3 ASP A 31 4.917 19.120 -21.968 1.00 0.00 H new ATOM 494 N LEU A 32 1.931 18.552 -19.209 1.00 0.00 N ATOM 495 CA LEU A 32 0.494 18.756 -19.275 1.00 0.00 C ATOM 496 C LEU A 32 0.151 20.131 -18.699 1.00 0.00 C ATOM 497 O LEU A 32 -0.988 20.378 -18.307 1.00 0.00 O ATOM 498 CB LEU A 32 -0.243 17.602 -18.592 1.00 0.00 C ATOM 499 CG LEU A 32 0.588 16.754 -17.628 1.00 0.00 C ATOM 500 CD1 LEU A 32 -0.309 16.034 -16.619 1.00 0.00 C ATOM 501 CD2 LEU A 32 1.490 15.781 -18.390 1.00 0.00 C ATOM 0 H LEU A 32 2.269 18.182 -18.321 1.00 0.00 H new ATOM 0 HA LEU A 32 0.156 18.751 -20.311 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -1.092 18.012 -18.045 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -0.648 16.948 -19.364 1.00 0.00 H new ATOM 0 HG LEU A 32 1.240 17.420 -17.062 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.307 15.438 -15.945 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.871 16.769 -16.043 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -1.003 15.382 -17.149 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.070 15.191 -17.680 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.876 15.117 -18.999 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.167 16.341 -19.034 1.00 0.00 H new ATOM 513 N THR A 33 1.158 20.992 -18.667 1.00 0.00 N ATOM 514 CA THR A 33 0.977 22.337 -18.146 1.00 0.00 C ATOM 515 C THR A 33 0.054 23.144 -19.060 1.00 0.00 C ATOM 516 O THR A 33 -0.465 24.185 -18.662 1.00 0.00 O ATOM 517 CB THR A 33 2.361 22.966 -17.971 1.00 0.00 C ATOM 518 OG1 THR A 33 2.226 23.784 -16.812 1.00 0.00 O ATOM 519 CG2 THR A 33 2.701 23.954 -19.088 1.00 0.00 C ATOM 0 H THR A 33 2.102 20.784 -18.993 1.00 0.00 H new ATOM 0 HA THR A 33 0.485 22.321 -17.173 1.00 0.00 H new ATOM 0 HB THR A 33 3.116 22.180 -17.941 1.00 0.00 H new ATOM 0 HG1 THR A 33 2.186 24.726 -17.079 1.00 0.00 H new ATOM 0 HG21 THR A 33 3.693 24.371 -18.915 1.00 0.00 H new ATOM 0 HG22 THR A 33 2.687 23.437 -20.048 1.00 0.00 H new ATOM 0 HG23 THR A 33 1.966 24.759 -19.098 1.00 0.00 H new ATOM 527 N LYS A 34 -0.124 22.631 -20.269 1.00 0.00 N ATOM 528 CA LYS A 34 -0.975 23.291 -21.244 1.00 0.00 C ATOM 529 C LYS A 34 -2.406 22.768 -21.102 1.00 0.00 C ATOM 530 O LYS A 34 -3.346 23.550 -20.967 1.00 0.00 O ATOM 531 CB LYS A 34 -0.400 23.134 -22.653 1.00 0.00 C ATOM 532 CG LYS A 34 -1.101 24.070 -23.639 1.00 0.00 C ATOM 533 CD LYS A 34 -0.724 25.529 -23.374 1.00 0.00 C ATOM 534 CE LYS A 34 -1.179 26.431 -24.523 1.00 0.00 C ATOM 535 NZ LYS A 34 -0.306 26.248 -25.702 1.00 0.00 N ATOM 0 H LYS A 34 0.307 21.766 -20.595 1.00 0.00 H new ATOM 0 HA LYS A 34 -1.007 24.364 -21.056 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.669 23.349 -22.639 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.514 22.101 -22.983 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.828 23.800 -24.659 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -2.181 23.949 -23.555 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -1.181 25.863 -22.442 1.00 0.00 H new ATOM 0 HD3 LYS A 34 0.355 25.612 -23.247 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.211 26.200 -24.788 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -1.157 27.473 -24.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -0.470 27.020 -26.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 0.690 26.257 -25.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -0.522 25.338 -26.156 1.00 0.00 H new ATOM 549 N PHE A 35 -2.526 21.450 -21.137 1.00 0.00 N ATOM 550 CA PHE A 35 -3.826 20.813 -21.014 1.00 0.00 C ATOM 551 C PHE A 35 -4.232 20.674 -19.545 1.00 0.00 C ATOM 552 O PHE A 35 -5.248 20.055 -19.234 1.00 0.00 O ATOM 553 CB PHE A 35 -3.701 19.418 -21.630 1.00 0.00 C ATOM 554 CG PHE A 35 -4.087 18.282 -20.681 1.00 0.00 C ATOM 555 CD1 PHE A 35 -3.239 17.908 -19.686 1.00 0.00 C ATOM 556 CD2 PHE A 35 -5.280 17.645 -20.832 1.00 0.00 C ATOM 557 CE1 PHE A 35 -3.598 16.854 -18.805 1.00 0.00 C ATOM 558 CE2 PHE A 35 -5.639 16.592 -19.951 1.00 0.00 C ATOM 559 CZ PHE A 35 -4.791 16.218 -18.956 1.00 0.00 C ATOM 0 H PHE A 35 -1.744 20.805 -21.249 1.00 0.00 H new ATOM 0 HA PHE A 35 -4.583 21.414 -21.517 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -4.331 19.366 -22.518 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.673 19.269 -21.960 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -2.292 18.413 -19.566 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -5.954 17.941 -21.623 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -2.924 16.557 -18.015 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -6.586 16.087 -20.071 1.00 0.00 H new ATOM 0 HZ PHE A 35 -5.064 15.416 -18.286 1.00 0.00 H new ATOM 569 N LEU A 36 -3.417 21.261 -18.682 1.00 0.00 N ATOM 570 CA LEU A 36 -3.677 21.211 -17.253 1.00 0.00 C ATOM 571 C LEU A 36 -5.091 21.730 -16.979 1.00 0.00 C ATOM 572 O LEU A 36 -5.790 21.210 -16.110 1.00 0.00 O ATOM 573 CB LEU A 36 -2.588 21.958 -16.482 1.00 0.00 C ATOM 574 CG LEU A 36 -2.086 21.282 -15.204 1.00 0.00 C ATOM 575 CD1 LEU A 36 -0.568 21.420 -15.071 1.00 0.00 C ATOM 576 CD2 LEU A 36 -2.821 21.819 -13.974 1.00 0.00 C ATOM 0 H LEU A 36 -2.575 21.774 -18.944 1.00 0.00 H new ATOM 0 HA LEU A 36 -3.638 20.182 -16.895 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.738 22.109 -17.147 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.968 22.946 -16.222 1.00 0.00 H new ATOM 0 HG LEU A 36 -2.308 20.217 -15.271 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.237 20.931 -14.155 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.084 20.951 -15.928 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -0.300 22.476 -15.036 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -2.445 21.322 -13.080 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -2.653 22.893 -13.890 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.889 21.625 -14.075 1.00 0.00 H new ATOM 588 N GLU A 37 -5.470 22.749 -17.736 1.00 0.00 N ATOM 589 CA GLU A 37 -6.786 23.345 -17.586 1.00 0.00 C ATOM 590 C GLU A 37 -7.826 22.539 -18.367 1.00 0.00 C ATOM 591 O GLU A 37 -9.022 22.633 -18.096 1.00 0.00 O ATOM 592 CB GLU A 37 -6.780 24.809 -18.030 1.00 0.00 C ATOM 593 CG GLU A 37 -7.828 25.618 -17.265 1.00 0.00 C ATOM 594 CD GLU A 37 -8.851 26.235 -18.222 1.00 0.00 C ATOM 595 OE1 GLU A 37 -9.405 25.464 -19.034 1.00 0.00 O ATOM 596 OE2 GLU A 37 -9.054 27.465 -18.120 1.00 0.00 O ATOM 0 H GLU A 37 -4.888 23.177 -18.456 1.00 0.00 H new ATOM 0 HA GLU A 37 -7.055 23.322 -16.530 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -5.792 25.239 -17.865 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -6.979 24.869 -19.100 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -8.338 24.974 -16.548 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -7.338 26.406 -16.693 1.00 0.00 H new ATOM 603 N GLU A 38 -7.332 21.765 -19.322 1.00 0.00 N ATOM 604 CA GLU A 38 -8.203 20.943 -20.145 1.00 0.00 C ATOM 605 C GLU A 38 -8.500 19.617 -19.443 1.00 0.00 C ATOM 606 O GLU A 38 -9.359 18.855 -19.885 1.00 0.00 O ATOM 607 CB GLU A 38 -7.589 20.707 -21.527 1.00 0.00 C ATOM 608 CG GLU A 38 -7.990 21.815 -22.502 1.00 0.00 C ATOM 609 CD GLU A 38 -7.915 21.326 -23.950 1.00 0.00 C ATOM 610 OE1 GLU A 38 -6.776 21.207 -24.450 1.00 0.00 O ATOM 611 OE2 GLU A 38 -8.998 21.082 -24.523 1.00 0.00 O ATOM 0 H GLU A 38 -6.339 21.690 -19.544 1.00 0.00 H new ATOM 0 HA GLU A 38 -9.144 21.474 -20.288 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.503 20.666 -21.444 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.916 19.742 -21.914 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -9.003 22.150 -22.280 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.333 22.675 -22.371 1.00 0.00 H new ATOM 618 N HIS A 39 -7.772 19.380 -18.361 1.00 0.00 N ATOM 619 CA HIS A 39 -7.948 18.159 -17.594 1.00 0.00 C ATOM 620 C HIS A 39 -9.126 18.322 -16.631 1.00 0.00 C ATOM 621 O HIS A 39 -9.227 19.329 -15.933 1.00 0.00 O ATOM 622 CB HIS A 39 -6.649 17.774 -16.882 1.00 0.00 C ATOM 623 CG HIS A 39 -6.694 16.423 -16.210 1.00 0.00 C ATOM 624 ND1 HIS A 39 -6.614 16.264 -14.838 1.00 0.00 N ATOM 625 CD2 HIS A 39 -6.813 15.169 -16.737 1.00 0.00 C ATOM 626 CE1 HIS A 39 -6.681 14.970 -14.561 1.00 0.00 C ATOM 627 NE2 HIS A 39 -6.804 14.293 -15.739 1.00 0.00 N ATOM 0 H HIS A 39 -7.059 20.013 -17.998 1.00 0.00 H new ATOM 0 HA HIS A 39 -8.185 17.334 -18.266 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -5.834 17.781 -17.606 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -6.418 18.533 -16.134 1.00 0.00 H new ATOM 0 HD1 HIS A 39 -6.519 17.016 -14.155 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -6.900 14.930 -17.787 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.645 14.529 -13.576 1.00 0.00 H new ATOM 635 N PRO A 40 -10.009 17.289 -16.626 1.00 0.00 N ATOM 636 CA PRO A 40 -11.177 17.307 -15.761 1.00 0.00 C ATOM 637 C PRO A 40 -10.788 17.029 -14.308 1.00 0.00 C ATOM 638 O PRO A 40 -11.561 17.302 -13.391 1.00 0.00 O ATOM 639 CB PRO A 40 -12.111 16.256 -16.338 1.00 0.00 C ATOM 640 CG PRO A 40 -11.246 15.368 -17.217 1.00 0.00 C ATOM 641 CD PRO A 40 -9.921 16.079 -17.439 1.00 0.00 C ATOM 0 HA PRO A 40 -11.665 18.281 -15.734 1.00 0.00 H new ATOM 0 HB2 PRO A 40 -12.586 15.678 -15.545 1.00 0.00 H new ATOM 0 HB3 PRO A 40 -12.910 16.719 -16.917 1.00 0.00 H new ATOM 0 HG2 PRO A 40 -11.085 14.401 -16.741 1.00 0.00 H new ATOM 0 HG3 PRO A 40 -11.740 15.176 -18.169 1.00 0.00 H new ATOM 0 HD2 PRO A 40 -9.081 15.456 -17.132 1.00 0.00 H new ATOM 0 HD3 PRO A 40 -9.772 16.319 -18.492 1.00 0.00 H new ATOM 649 N GLY A 41 -9.590 16.487 -14.144 1.00 0.00 N ATOM 650 CA GLY A 41 -9.089 16.168 -12.818 1.00 0.00 C ATOM 651 C GLY A 41 -9.130 17.395 -11.906 1.00 0.00 C ATOM 652 O GLY A 41 -10.049 17.545 -11.102 1.00 0.00 O ATOM 0 H GLY A 41 -8.952 16.261 -14.907 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.687 15.367 -12.383 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.066 15.799 -12.891 1.00 0.00 H new ATOM 656 N GLY A 42 -8.123 18.241 -12.061 1.00 0.00 N ATOM 657 CA GLY A 42 -8.032 19.452 -11.261 1.00 0.00 C ATOM 658 C GLY A 42 -6.870 20.331 -11.728 1.00 0.00 C ATOM 659 O GLY A 42 -6.299 20.099 -12.792 1.00 0.00 O ATOM 0 H GLY A 42 -7.362 18.113 -12.729 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.966 20.010 -11.331 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.896 19.190 -10.212 1.00 0.00 H new ATOM 663 N GLU A 43 -6.555 21.323 -10.908 1.00 0.00 N ATOM 664 CA GLU A 43 -5.472 22.239 -11.223 1.00 0.00 C ATOM 665 C GLU A 43 -4.421 22.220 -10.112 1.00 0.00 C ATOM 666 O GLU A 43 -3.314 22.726 -10.291 1.00 0.00 O ATOM 667 CB GLU A 43 -6.001 23.656 -11.454 1.00 0.00 C ATOM 668 CG GLU A 43 -4.901 24.695 -11.229 1.00 0.00 C ATOM 669 CD GLU A 43 -5.450 26.116 -11.379 1.00 0.00 C ATOM 670 OE1 GLU A 43 -6.263 26.504 -10.511 1.00 0.00 O ATOM 671 OE2 GLU A 43 -5.044 26.781 -12.355 1.00 0.00 O ATOM 0 H GLU A 43 -7.031 21.512 -10.026 1.00 0.00 H new ATOM 0 HA GLU A 43 -5.000 21.908 -12.148 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -6.386 23.743 -12.470 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -6.834 23.851 -10.779 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.475 24.569 -10.234 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -4.094 24.536 -11.944 1.00 0.00 H new ATOM 678 N GLU A 44 -4.804 21.632 -8.988 1.00 0.00 N ATOM 679 CA GLU A 44 -3.908 21.541 -7.848 1.00 0.00 C ATOM 680 C GLU A 44 -3.606 20.077 -7.526 1.00 0.00 C ATOM 681 O GLU A 44 -2.843 19.784 -6.607 1.00 0.00 O ATOM 682 CB GLU A 44 -4.495 22.260 -6.631 1.00 0.00 C ATOM 683 CG GLU A 44 -5.675 21.478 -6.049 1.00 0.00 C ATOM 684 CD GLU A 44 -6.989 22.237 -6.251 1.00 0.00 C ATOM 685 OE1 GLU A 44 -7.099 23.343 -5.681 1.00 0.00 O ATOM 686 OE2 GLU A 44 -7.853 21.692 -6.971 1.00 0.00 O ATOM 0 H GLU A 44 -5.723 21.214 -8.843 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.972 22.037 -8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -3.724 22.383 -5.870 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.822 23.260 -6.917 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.739 20.500 -6.526 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -5.511 21.304 -4.986 1.00 0.00 H new ATOM 693 N VAL A 45 -4.218 19.195 -8.303 1.00 0.00 N ATOM 694 CA VAL A 45 -4.023 17.768 -8.113 1.00 0.00 C ATOM 695 C VAL A 45 -3.019 17.252 -9.146 1.00 0.00 C ATOM 696 O VAL A 45 -2.257 16.327 -8.868 1.00 0.00 O ATOM 697 CB VAL A 45 -5.370 17.043 -8.175 1.00 0.00 C ATOM 698 CG1 VAL A 45 -6.430 17.913 -8.853 1.00 0.00 C ATOM 699 CG2 VAL A 45 -5.234 15.693 -8.880 1.00 0.00 C ATOM 0 H VAL A 45 -4.849 19.441 -9.065 1.00 0.00 H new ATOM 0 HA VAL A 45 -3.606 17.568 -7.126 1.00 0.00 H new ATOM 0 HB VAL A 45 -5.697 16.854 -7.152 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.377 17.374 -8.884 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -6.557 18.838 -8.290 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -6.113 18.148 -9.869 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -6.205 15.199 -8.910 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.874 15.848 -9.897 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.526 15.068 -8.336 1.00 0.00 H new ATOM 709 N LEU A 46 -3.051 17.872 -10.316 1.00 0.00 N ATOM 710 CA LEU A 46 -2.153 17.488 -11.392 1.00 0.00 C ATOM 711 C LEU A 46 -0.725 17.900 -11.029 1.00 0.00 C ATOM 712 O LEU A 46 0.208 17.109 -11.167 1.00 0.00 O ATOM 713 CB LEU A 46 -2.638 18.059 -12.725 1.00 0.00 C ATOM 714 CG LEU A 46 -4.154 18.079 -12.934 1.00 0.00 C ATOM 715 CD1 LEU A 46 -4.508 18.575 -14.337 1.00 0.00 C ATOM 716 CD2 LEU A 46 -4.768 16.709 -12.639 1.00 0.00 C ATOM 0 H LEU A 46 -3.685 18.638 -10.543 1.00 0.00 H new ATOM 0 HA LEU A 46 -2.151 16.405 -11.518 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.265 19.079 -12.818 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.188 17.480 -13.531 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.586 18.784 -12.224 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.591 18.579 -14.459 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.123 19.586 -14.473 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.062 17.914 -15.080 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.846 16.752 -12.796 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.334 15.964 -13.306 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.562 16.433 -11.605 1.00 0.00 H new ATOM 728 N ARG A 47 -0.598 19.137 -10.573 1.00 0.00 N ATOM 729 CA ARG A 47 0.702 19.664 -10.191 1.00 0.00 C ATOM 730 C ARG A 47 1.132 19.087 -8.841 1.00 0.00 C ATOM 731 O ARG A 47 2.324 18.966 -8.566 1.00 0.00 O ATOM 732 CB ARG A 47 0.671 21.192 -10.099 1.00 0.00 C ATOM 733 CG ARG A 47 -0.570 21.670 -9.343 1.00 0.00 C ATOM 734 CD ARG A 47 -0.303 23.000 -8.635 1.00 0.00 C ATOM 735 NE ARG A 47 -1.287 24.014 -9.074 1.00 0.00 N ATOM 736 CZ ARG A 47 -1.178 25.326 -8.821 1.00 0.00 C ATOM 737 NH1 ARG A 47 -0.128 25.789 -8.130 1.00 0.00 N ATOM 738 NH2 ARG A 47 -2.120 26.172 -9.257 1.00 0.00 N ATOM 0 H ARG A 47 -1.373 19.790 -10.459 1.00 0.00 H new ATOM 0 HA ARG A 47 1.418 19.372 -10.959 1.00 0.00 H new ATOM 0 HB2 ARG A 47 1.569 21.548 -9.594 1.00 0.00 H new ATOM 0 HB3 ARG A 47 0.678 21.621 -11.101 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -1.402 21.785 -10.038 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.867 20.918 -8.612 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -0.365 22.865 -7.555 1.00 0.00 H new ATOM 0 HD3 ARG A 47 0.708 23.343 -8.856 1.00 0.00 H new ATOM 0 HE ARG A 47 -2.099 23.695 -9.602 1.00 0.00 H new ATOM 0 HH11 ARG A 47 0.588 25.143 -7.797 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -0.044 26.787 -7.937 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.920 25.818 -9.781 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -2.037 27.170 -9.065 1.00 0.00 H new ATOM 752 N GLU A 48 0.137 18.747 -8.036 1.00 0.00 N ATOM 753 CA GLU A 48 0.397 18.184 -6.721 1.00 0.00 C ATOM 754 C GLU A 48 1.487 17.113 -6.808 1.00 0.00 C ATOM 755 O GLU A 48 2.294 16.968 -5.891 1.00 0.00 O ATOM 756 CB GLU A 48 -0.882 17.617 -6.104 1.00 0.00 C ATOM 757 CG GLU A 48 -1.093 18.154 -4.687 1.00 0.00 C ATOM 758 CD GLU A 48 0.164 17.964 -3.835 1.00 0.00 C ATOM 759 OE1 GLU A 48 0.319 16.848 -3.294 1.00 0.00 O ATOM 760 OE2 GLU A 48 0.941 18.939 -3.745 1.00 0.00 O ATOM 0 H GLU A 48 -0.851 18.850 -8.268 1.00 0.00 H new ATOM 0 HA GLU A 48 0.751 18.983 -6.069 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -1.737 17.879 -6.727 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -0.827 16.529 -6.080 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.351 19.212 -4.730 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.934 17.640 -4.221 1.00 0.00 H new ATOM 767 N GLN A 49 1.474 16.392 -7.919 1.00 0.00 N ATOM 768 CA GLN A 49 2.451 15.339 -8.138 1.00 0.00 C ATOM 769 C GLN A 49 3.353 15.688 -9.322 1.00 0.00 C ATOM 770 O GLN A 49 3.843 14.800 -10.018 1.00 0.00 O ATOM 771 CB GLN A 49 1.763 13.988 -8.353 1.00 0.00 C ATOM 772 CG GLN A 49 0.910 13.609 -7.141 1.00 0.00 C ATOM 773 CD GLN A 49 1.754 13.577 -5.864 1.00 0.00 C ATOM 774 OE1 GLN A 49 1.990 14.586 -5.220 1.00 0.00 O ATOM 775 NE2 GLN A 49 2.194 12.365 -5.537 1.00 0.00 N ATOM 0 H GLN A 49 0.803 16.516 -8.677 1.00 0.00 H new ATOM 0 HA GLN A 49 3.072 15.256 -7.246 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.136 14.033 -9.244 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.514 13.217 -8.529 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.097 14.326 -7.026 1.00 0.00 H new ATOM 0 HG3 GLN A 49 0.454 12.633 -7.304 1.00 0.00 H new ATOM 0 HE21 GLN A 49 1.959 11.562 -6.121 1.00 0.00 H new ATOM 0 HE22 GLN A 49 2.766 12.238 -4.702 1.00 0.00 H new ATOM 784 N ALA A 50 3.546 16.985 -9.515 1.00 0.00 N ATOM 785 CA ALA A 50 4.381 17.463 -10.604 1.00 0.00 C ATOM 786 C ALA A 50 5.770 17.807 -10.063 1.00 0.00 C ATOM 787 O ALA A 50 6.160 18.973 -10.036 1.00 0.00 O ATOM 788 CB ALA A 50 3.705 18.660 -11.277 1.00 0.00 C ATOM 0 H ALA A 50 3.139 17.719 -8.936 1.00 0.00 H new ATOM 0 HA ALA A 50 4.505 16.689 -11.361 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.331 19.019 -12.094 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.735 18.356 -11.670 1.00 0.00 H new ATOM 0 HB3 ALA A 50 3.568 19.458 -10.547 1.00 0.00 H new ATOM 794 N GLY A 51 6.480 16.769 -9.645 1.00 0.00 N ATOM 795 CA GLY A 51 7.818 16.945 -9.106 1.00 0.00 C ATOM 796 C GLY A 51 8.518 15.597 -8.924 1.00 0.00 C ATOM 797 O GLY A 51 9.723 15.485 -9.145 1.00 0.00 O ATOM 0 H GLY A 51 6.154 15.803 -9.669 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.403 17.575 -9.775 1.00 0.00 H new ATOM 0 HA3 GLY A 51 7.763 17.462 -8.148 1.00 0.00 H new ATOM 801 N GLY A 52 7.733 14.608 -8.523 1.00 0.00 N ATOM 802 CA GLY A 52 8.262 13.273 -8.308 1.00 0.00 C ATOM 803 C GLY A 52 7.600 12.263 -9.248 1.00 0.00 C ATOM 804 O GLY A 52 7.666 12.408 -10.467 1.00 0.00 O ATOM 0 H GLY A 52 6.734 14.705 -8.341 1.00 0.00 H new ATOM 0 HA2 GLY A 52 9.340 13.274 -8.471 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.096 12.975 -7.273 1.00 0.00 H new ATOM 808 N ASP A 53 6.975 11.262 -8.644 1.00 0.00 N ATOM 809 CA ASP A 53 6.302 10.229 -9.411 1.00 0.00 C ATOM 810 C ASP A 53 4.789 10.376 -9.239 1.00 0.00 C ATOM 811 O ASP A 53 4.268 10.217 -8.137 1.00 0.00 O ATOM 812 CB ASP A 53 6.699 8.834 -8.924 1.00 0.00 C ATOM 813 CG ASP A 53 6.077 7.675 -9.706 1.00 0.00 C ATOM 814 OD1 ASP A 53 4.891 7.384 -9.441 1.00 0.00 O ATOM 815 OD2 ASP A 53 6.803 7.105 -10.550 1.00 0.00 O ATOM 0 H ASP A 53 6.921 11.145 -7.632 1.00 0.00 H new ATOM 0 HA ASP A 53 6.592 10.343 -10.456 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.784 8.744 -8.972 1.00 0.00 H new ATOM 0 HB3 ASP A 53 6.417 8.738 -7.875 1.00 0.00 H new ATOM 820 N ALA A 54 4.127 10.679 -10.346 1.00 0.00 N ATOM 821 CA ALA A 54 2.684 10.850 -10.332 1.00 0.00 C ATOM 822 C ALA A 54 2.023 9.630 -10.975 1.00 0.00 C ATOM 823 O ALA A 54 0.847 9.360 -10.741 1.00 0.00 O ATOM 824 CB ALA A 54 2.317 12.154 -11.043 1.00 0.00 C ATOM 0 H ALA A 54 4.563 10.810 -11.259 1.00 0.00 H new ATOM 0 HA ALA A 54 2.317 10.922 -9.308 1.00 0.00 H new ATOM 0 HB1 ALA A 54 1.235 12.282 -11.032 1.00 0.00 H new ATOM 0 HB2 ALA A 54 2.787 12.993 -10.530 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.668 12.117 -12.074 1.00 0.00 H new ATOM 830 N THR A 55 2.810 8.925 -11.776 1.00 0.00 N ATOM 831 CA THR A 55 2.316 7.739 -12.456 1.00 0.00 C ATOM 832 C THR A 55 1.611 6.810 -11.465 1.00 0.00 C ATOM 833 O THR A 55 0.794 5.981 -11.860 1.00 0.00 O ATOM 834 CB THR A 55 3.496 7.080 -13.174 1.00 0.00 C ATOM 835 OG1 THR A 55 3.047 5.752 -13.431 1.00 0.00 O ATOM 836 CG2 THR A 55 4.708 6.893 -12.258 1.00 0.00 C ATOM 0 H THR A 55 3.785 9.152 -11.969 1.00 0.00 H new ATOM 0 HA THR A 55 1.565 7.995 -13.203 1.00 0.00 H new ATOM 0 HB THR A 55 3.781 7.685 -14.035 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.751 5.253 -13.896 1.00 0.00 H new ATOM 0 HG21 THR A 55 5.517 6.422 -12.816 1.00 0.00 H new ATOM 0 HG22 THR A 55 5.039 7.864 -11.890 1.00 0.00 H new ATOM 0 HG23 THR A 55 4.432 6.260 -11.415 1.00 0.00 H new ATOM 844 N GLU A 56 1.955 6.981 -10.197 1.00 0.00 N ATOM 845 CA GLU A 56 1.367 6.168 -9.146 1.00 0.00 C ATOM 846 C GLU A 56 -0.015 6.707 -8.770 1.00 0.00 C ATOM 847 O GLU A 56 -0.924 5.936 -8.465 1.00 0.00 O ATOM 848 CB GLU A 56 2.283 6.106 -7.922 1.00 0.00 C ATOM 849 CG GLU A 56 2.603 7.510 -7.405 1.00 0.00 C ATOM 850 CD GLU A 56 2.678 7.527 -5.877 1.00 0.00 C ATOM 851 OE1 GLU A 56 1.761 6.949 -5.256 1.00 0.00 O ATOM 852 OE2 GLU A 56 3.654 8.118 -5.364 1.00 0.00 O ATOM 0 H GLU A 56 2.633 7.671 -9.874 1.00 0.00 H new ATOM 0 HA GLU A 56 1.250 5.152 -9.522 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.804 5.525 -7.134 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.208 5.590 -8.181 1.00 0.00 H new ATOM 0 HG2 GLU A 56 3.551 7.848 -7.823 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.838 8.209 -7.743 1.00 0.00 H new ATOM 859 N ASN A 57 -0.131 8.027 -8.805 1.00 0.00 N ATOM 860 CA ASN A 57 -1.386 8.677 -8.472 1.00 0.00 C ATOM 861 C ASN A 57 -2.226 8.836 -9.740 1.00 0.00 C ATOM 862 O ASN A 57 -3.454 8.864 -9.678 1.00 0.00 O ATOM 863 CB ASN A 57 -1.146 10.071 -7.887 1.00 0.00 C ATOM 864 CG ASN A 57 -0.889 9.996 -6.381 1.00 0.00 C ATOM 865 OD1 ASN A 57 -0.355 9.029 -5.863 1.00 0.00 O ATOM 866 ND2 ASN A 57 -1.297 11.068 -5.708 1.00 0.00 N ATOM 0 H ASN A 57 0.624 8.663 -9.059 1.00 0.00 H new ATOM 0 HA ASN A 57 -1.900 8.059 -7.735 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.293 10.535 -8.382 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -2.011 10.705 -8.081 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -1.170 11.114 -4.697 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.737 11.844 -6.203 1.00 0.00 H new ATOM 873 N PHE A 58 -1.530 8.935 -10.864 1.00 0.00 N ATOM 874 CA PHE A 58 -2.197 9.090 -12.146 1.00 0.00 C ATOM 875 C PHE A 58 -2.884 7.789 -12.567 1.00 0.00 C ATOM 876 O PHE A 58 -3.986 7.814 -13.114 1.00 0.00 O ATOM 877 CB PHE A 58 -1.117 9.437 -13.173 1.00 0.00 C ATOM 878 CG PHE A 58 -1.602 9.400 -14.623 1.00 0.00 C ATOM 879 CD1 PHE A 58 -2.787 9.977 -14.958 1.00 0.00 C ATOM 880 CD2 PHE A 58 -0.848 8.792 -15.577 1.00 0.00 C ATOM 881 CE1 PHE A 58 -3.238 9.942 -16.305 1.00 0.00 C ATOM 882 CE2 PHE A 58 -1.298 8.757 -16.923 1.00 0.00 C ATOM 883 CZ PHE A 58 -2.484 9.334 -17.259 1.00 0.00 C ATOM 0 H PHE A 58 -0.511 8.911 -10.913 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.959 9.867 -12.078 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -0.730 10.432 -12.956 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -0.286 8.740 -13.061 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -3.385 10.462 -14.201 1.00 0.00 H new ATOM 0 HD2 PHE A 58 0.094 8.335 -15.311 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -4.180 10.398 -16.571 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -0.699 8.273 -17.680 1.00 0.00 H new ATOM 0 HZ PHE A 58 -2.826 9.309 -18.283 1.00 0.00 H new ATOM 893 N GLU A 59 -2.205 6.684 -12.297 1.00 0.00 N ATOM 894 CA GLU A 59 -2.737 5.376 -12.642 1.00 0.00 C ATOM 895 C GLU A 59 -3.775 4.936 -11.607 1.00 0.00 C ATOM 896 O GLU A 59 -4.586 4.050 -11.874 1.00 0.00 O ATOM 897 CB GLU A 59 -1.615 4.343 -12.764 1.00 0.00 C ATOM 898 CG GLU A 59 -0.985 4.053 -11.400 1.00 0.00 C ATOM 899 CD GLU A 59 -1.855 3.092 -10.587 1.00 0.00 C ATOM 900 OE1 GLU A 59 -2.344 2.117 -11.197 1.00 0.00 O ATOM 901 OE2 GLU A 59 -2.011 3.356 -9.375 1.00 0.00 O ATOM 0 H GLU A 59 -1.292 6.667 -11.844 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.227 5.449 -13.613 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.010 3.420 -13.189 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -0.852 4.709 -13.450 1.00 0.00 H new ATOM 0 HG2 GLU A 59 0.007 3.623 -11.538 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -0.855 4.985 -10.850 1.00 0.00 H new ATOM 908 N ASP A 60 -3.718 5.577 -10.449 1.00 0.00 N ATOM 909 CA ASP A 60 -4.645 5.262 -9.374 1.00 0.00 C ATOM 910 C ASP A 60 -6.076 5.317 -9.909 1.00 0.00 C ATOM 911 O ASP A 60 -6.830 4.353 -9.774 1.00 0.00 O ATOM 912 CB ASP A 60 -4.527 6.276 -8.233 1.00 0.00 C ATOM 913 CG ASP A 60 -5.642 6.203 -7.187 1.00 0.00 C ATOM 914 OD1 ASP A 60 -5.609 5.242 -6.389 1.00 0.00 O ATOM 915 OD2 ASP A 60 -6.501 7.110 -7.209 1.00 0.00 O ATOM 0 H ASP A 60 -3.045 6.312 -10.231 1.00 0.00 H new ATOM 0 HA ASP A 60 -4.404 4.267 -9.000 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.570 6.128 -7.733 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -4.513 7.279 -8.658 1.00 0.00 H new ATOM 920 N VAL A 61 -6.410 6.452 -10.504 1.00 0.00 N ATOM 921 CA VAL A 61 -7.738 6.644 -11.060 1.00 0.00 C ATOM 922 C VAL A 61 -7.958 5.649 -12.202 1.00 0.00 C ATOM 923 O VAL A 61 -9.096 5.380 -12.585 1.00 0.00 O ATOM 924 CB VAL A 61 -7.919 8.100 -11.494 1.00 0.00 C ATOM 925 CG1 VAL A 61 -6.621 8.663 -12.076 1.00 0.00 C ATOM 926 CG2 VAL A 61 -9.071 8.236 -12.491 1.00 0.00 C ATOM 0 H VAL A 61 -5.783 7.249 -10.613 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.499 6.446 -10.305 1.00 0.00 H new ATOM 0 HB VAL A 61 -8.171 8.685 -10.609 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.776 9.699 -12.377 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.835 8.618 -11.322 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -6.326 8.074 -12.944 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -9.178 9.281 -12.783 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.861 7.632 -13.374 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.996 7.892 -12.028 1.00 0.00 H new ATOM 936 N GLY A 62 -6.852 5.129 -12.711 1.00 0.00 N ATOM 937 CA GLY A 62 -6.908 4.169 -13.800 1.00 0.00 C ATOM 938 C GLY A 62 -7.292 4.852 -15.115 1.00 0.00 C ATOM 939 O GLY A 62 -8.441 4.776 -15.545 1.00 0.00 O ATOM 0 H GLY A 62 -5.911 5.354 -12.389 1.00 0.00 H new ATOM 0 HA2 GLY A 62 -5.940 3.681 -13.909 1.00 0.00 H new ATOM 0 HA3 GLY A 62 -7.633 3.390 -13.566 1.00 0.00 H new ATOM 943 N HIS A 63 -6.308 5.505 -15.714 1.00 0.00 N ATOM 944 CA HIS A 63 -6.528 6.202 -16.970 1.00 0.00 C ATOM 945 C HIS A 63 -6.557 5.192 -18.119 1.00 0.00 C ATOM 946 O HIS A 63 -5.718 4.295 -18.183 1.00 0.00 O ATOM 947 CB HIS A 63 -5.482 7.300 -17.172 1.00 0.00 C ATOM 948 CG HIS A 63 -5.721 8.536 -16.338 1.00 0.00 C ATOM 949 ND1 HIS A 63 -5.180 8.704 -15.075 1.00 0.00 N ATOM 950 CD2 HIS A 63 -6.445 9.661 -16.599 1.00 0.00 C ATOM 951 CE1 HIS A 63 -5.568 9.880 -14.606 1.00 0.00 C ATOM 952 NE2 HIS A 63 -6.353 10.472 -15.552 1.00 0.00 N ATOM 0 H HIS A 63 -5.356 5.566 -15.353 1.00 0.00 H new ATOM 0 HA HIS A 63 -7.496 6.703 -16.948 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -4.497 6.898 -16.934 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -5.465 7.582 -18.225 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -4.583 8.035 -14.588 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -7.000 9.859 -17.504 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -5.309 10.297 -13.644 1.00 0.00 H new ATOM 960 N SER A 64 -7.531 5.373 -18.999 1.00 0.00 N ATOM 961 CA SER A 64 -7.681 4.488 -20.142 1.00 0.00 C ATOM 962 C SER A 64 -6.697 4.887 -21.244 1.00 0.00 C ATOM 963 O SER A 64 -6.253 6.033 -21.300 1.00 0.00 O ATOM 964 CB SER A 64 -9.115 4.514 -20.676 1.00 0.00 C ATOM 965 OG SER A 64 -9.233 3.834 -21.922 1.00 0.00 O ATOM 0 H SER A 64 -8.224 6.119 -18.944 1.00 0.00 H new ATOM 0 HA SER A 64 -7.462 3.471 -19.818 1.00 0.00 H new ATOM 0 HB2 SER A 64 -9.782 4.053 -19.947 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.439 5.548 -20.795 1.00 0.00 H new ATOM 0 HG SER A 64 -9.440 4.480 -22.629 1.00 0.00 H new ATOM 971 N THR A 65 -6.385 3.919 -22.094 1.00 0.00 N ATOM 972 CA THR A 65 -5.462 4.155 -23.190 1.00 0.00 C ATOM 973 C THR A 65 -5.872 5.404 -23.973 1.00 0.00 C ATOM 974 O THR A 65 -5.071 5.962 -24.722 1.00 0.00 O ATOM 975 CB THR A 65 -5.415 2.889 -24.049 1.00 0.00 C ATOM 976 OG1 THR A 65 -4.957 1.880 -23.153 1.00 0.00 O ATOM 977 CG2 THR A 65 -4.329 2.952 -25.125 1.00 0.00 C ATOM 0 H THR A 65 -6.755 2.970 -22.045 1.00 0.00 H new ATOM 0 HA THR A 65 -4.455 4.355 -22.823 1.00 0.00 H new ATOM 0 HB THR A 65 -6.385 2.734 -24.521 1.00 0.00 H new ATOM 0 HG1 THR A 65 -4.899 1.024 -23.627 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.338 2.030 -25.706 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.519 3.798 -25.785 1.00 0.00 H new ATOM 0 HG23 THR A 65 -3.355 3.073 -24.652 1.00 0.00 H new ATOM 985 N ASP A 66 -7.118 5.807 -23.771 1.00 0.00 N ATOM 986 CA ASP A 66 -7.644 6.980 -24.449 1.00 0.00 C ATOM 987 C ASP A 66 -6.921 8.226 -23.935 1.00 0.00 C ATOM 988 O ASP A 66 -7.075 9.312 -24.493 1.00 0.00 O ATOM 989 CB ASP A 66 -9.139 7.152 -24.171 1.00 0.00 C ATOM 990 CG ASP A 66 -10.009 5.953 -24.552 1.00 0.00 C ATOM 991 OD1 ASP A 66 -9.493 4.820 -24.444 1.00 0.00 O ATOM 992 OD2 ASP A 66 -11.172 6.196 -24.943 1.00 0.00 O ATOM 0 H ASP A 66 -7.778 5.342 -23.148 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.489 6.849 -25.520 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -9.275 7.357 -23.109 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -9.496 8.028 -24.713 1.00 0.00 H new ATOM 997 N VAL A 67 -6.148 8.030 -22.877 1.00 0.00 N ATOM 998 CA VAL A 67 -5.402 9.125 -22.282 1.00 0.00 C ATOM 999 C VAL A 67 -4.174 9.428 -23.144 1.00 0.00 C ATOM 1000 O VAL A 67 -3.758 10.580 -23.256 1.00 0.00 O ATOM 1001 CB VAL A 67 -5.046 8.789 -20.832 1.00 0.00 C ATOM 1002 CG1 VAL A 67 -3.537 8.602 -20.667 1.00 0.00 C ATOM 1003 CG2 VAL A 67 -5.573 9.860 -19.876 1.00 0.00 C ATOM 0 H VAL A 67 -6.022 7.129 -22.417 1.00 0.00 H new ATOM 0 HA VAL A 67 -6.010 10.029 -22.252 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.530 7.846 -20.578 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.311 8.364 -19.627 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.199 7.787 -21.307 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.024 9.521 -20.949 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.306 9.597 -18.852 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.131 10.824 -20.130 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -6.658 9.924 -19.963 1.00 0.00 H new ATOM 1013 N ARG A 68 -3.629 8.372 -23.732 1.00 0.00 N ATOM 1014 CA ARG A 68 -2.457 8.510 -24.581 1.00 0.00 C ATOM 1015 C ARG A 68 -2.719 9.541 -25.681 1.00 0.00 C ATOM 1016 O ARG A 68 -1.847 10.347 -26.000 1.00 0.00 O ATOM 1017 CB ARG A 68 -2.081 7.173 -25.221 1.00 0.00 C ATOM 1018 CG ARG A 68 -0.800 7.302 -26.047 1.00 0.00 C ATOM 1019 CD ARG A 68 -0.147 5.935 -26.264 1.00 0.00 C ATOM 1020 NE ARG A 68 1.010 6.067 -27.178 1.00 0.00 N ATOM 1021 CZ ARG A 68 0.916 6.074 -28.514 1.00 0.00 C ATOM 1022 NH1 ARG A 68 -0.283 5.958 -29.101 1.00 0.00 N ATOM 1023 NH2 ARG A 68 2.020 6.197 -29.263 1.00 0.00 N ATOM 0 H ARG A 68 -3.977 7.418 -23.637 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.630 8.844 -23.955 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -1.943 6.420 -24.445 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -2.896 6.829 -25.858 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -1.029 7.757 -27.011 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.101 7.966 -25.539 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.178 5.522 -25.309 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -0.873 5.238 -26.682 1.00 0.00 H new ATOM 0 HE ARG A 68 1.938 6.158 -26.764 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -1.123 5.864 -28.530 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -0.355 5.963 -30.118 1.00 0.00 H new ATOM 0 HH21 ARG A 68 2.932 6.285 -28.816 1.00 0.00 H new ATOM 0 HH22 ARG A 68 1.948 6.202 -30.280 1.00 0.00 H new ATOM 1037 N GLU A 69 -3.921 9.479 -26.232 1.00 0.00 N ATOM 1038 CA GLU A 69 -4.308 10.396 -27.291 1.00 0.00 C ATOM 1039 C GLU A 69 -4.227 11.842 -26.796 1.00 0.00 C ATOM 1040 O GLU A 69 -3.943 12.752 -27.573 1.00 0.00 O ATOM 1041 CB GLU A 69 -5.710 10.073 -27.812 1.00 0.00 C ATOM 1042 CG GLU A 69 -6.784 10.704 -26.924 1.00 0.00 C ATOM 1043 CD GLU A 69 -8.051 9.848 -26.904 1.00 0.00 C ATOM 1044 OE1 GLU A 69 -8.195 9.025 -27.833 1.00 0.00 O ATOM 1045 OE2 GLU A 69 -8.848 10.035 -25.958 1.00 0.00 O ATOM 0 H GLU A 69 -4.641 8.808 -25.965 1.00 0.00 H new ATOM 0 HA GLU A 69 -3.612 10.276 -28.121 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -5.816 10.440 -28.833 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -5.849 8.992 -27.845 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.402 10.818 -25.910 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.022 11.703 -27.289 1.00 0.00 H new ATOM 1052 N LEU A 70 -4.480 12.007 -25.507 1.00 0.00 N ATOM 1053 CA LEU A 70 -4.439 13.326 -24.899 1.00 0.00 C ATOM 1054 C LEU A 70 -2.987 13.799 -24.812 1.00 0.00 C ATOM 1055 O LEU A 70 -2.679 14.939 -25.154 1.00 0.00 O ATOM 1056 CB LEU A 70 -5.165 13.320 -23.552 1.00 0.00 C ATOM 1057 CG LEU A 70 -6.597 13.857 -23.559 1.00 0.00 C ATOM 1058 CD1 LEU A 70 -6.615 15.367 -23.810 1.00 0.00 C ATOM 1059 CD2 LEU A 70 -7.463 13.099 -24.566 1.00 0.00 C ATOM 0 H LEU A 70 -4.714 11.249 -24.866 1.00 0.00 H new ATOM 0 HA LEU A 70 -4.973 14.046 -25.519 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -5.184 12.297 -23.177 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -4.581 13.909 -22.844 1.00 0.00 H new ATOM 0 HG LEU A 70 -7.029 13.689 -22.573 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -7.645 15.724 -23.810 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -6.056 15.873 -23.023 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -6.157 15.581 -24.776 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -8.476 13.501 -24.550 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -7.043 13.213 -25.565 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -7.488 12.042 -24.301 1.00 0.00 H new ATOM 1071 N SER A 71 -2.131 12.896 -24.353 1.00 0.00 N ATOM 1072 CA SER A 71 -0.718 13.207 -24.216 1.00 0.00 C ATOM 1073 C SER A 71 -0.005 12.993 -25.553 1.00 0.00 C ATOM 1074 O SER A 71 0.700 12.000 -25.733 1.00 0.00 O ATOM 1075 CB SER A 71 -0.069 12.352 -23.126 1.00 0.00 C ATOM 1076 OG SER A 71 -0.711 11.088 -22.986 1.00 0.00 O ATOM 0 H SER A 71 -2.389 11.950 -24.072 1.00 0.00 H new ATOM 0 HA SER A 71 -0.624 14.253 -23.923 1.00 0.00 H new ATOM 0 HB2 SER A 71 0.984 12.199 -23.364 1.00 0.00 H new ATOM 0 HB3 SER A 71 -0.107 12.885 -22.176 1.00 0.00 H new ATOM 0 HG SER A 71 -0.266 10.572 -22.282 1.00 0.00 H new ATOM 1082 N LYS A 72 -0.212 13.940 -26.456 1.00 0.00 N ATOM 1083 CA LYS A 72 0.403 13.868 -27.770 1.00 0.00 C ATOM 1084 C LYS A 72 1.326 15.072 -27.964 1.00 0.00 C ATOM 1085 O LYS A 72 2.487 14.914 -28.338 1.00 0.00 O ATOM 1086 CB LYS A 72 -0.667 13.732 -28.856 1.00 0.00 C ATOM 1087 CG LYS A 72 -0.397 12.515 -29.743 1.00 0.00 C ATOM 1088 CD LYS A 72 -1.153 11.287 -29.232 1.00 0.00 C ATOM 1089 CE LYS A 72 -0.512 9.995 -29.745 1.00 0.00 C ATOM 1090 NZ LYS A 72 -1.514 8.908 -29.809 1.00 0.00 N ATOM 0 H LYS A 72 -0.797 14.761 -26.303 1.00 0.00 H new ATOM 0 HA LYS A 72 1.023 12.975 -27.851 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.650 13.638 -28.394 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -0.687 14.634 -29.467 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.699 12.733 -30.767 1.00 0.00 H new ATOM 0 HG3 LYS A 72 0.672 12.306 -29.764 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -1.158 11.287 -28.142 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -2.193 11.335 -29.556 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -0.085 10.162 -30.734 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.308 9.703 -29.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -1.094 8.075 -30.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -1.816 8.657 -28.846 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -2.338 9.227 -30.358 1.00 0.00 H new ATOM 1104 N THR A 73 0.776 16.247 -27.700 1.00 0.00 N ATOM 1105 CA THR A 73 1.535 17.478 -27.840 1.00 0.00 C ATOM 1106 C THR A 73 2.051 17.945 -26.477 1.00 0.00 C ATOM 1107 O THR A 73 2.997 18.727 -26.402 1.00 0.00 O ATOM 1108 CB THR A 73 0.644 18.508 -28.536 1.00 0.00 C ATOM 1109 OG1 THR A 73 1.488 19.081 -29.532 1.00 0.00 O ATOM 1110 CG2 THR A 73 0.286 19.684 -27.626 1.00 0.00 C ATOM 0 H THR A 73 -0.187 16.373 -27.390 1.00 0.00 H new ATOM 0 HA THR A 73 2.422 17.326 -28.455 1.00 0.00 H new ATOM 0 HB THR A 73 -0.271 18.024 -28.878 1.00 0.00 H new ATOM 0 HG1 THR A 73 0.989 19.759 -30.033 1.00 0.00 H new ATOM 0 HG21 THR A 73 -0.347 20.385 -28.170 1.00 0.00 H new ATOM 0 HG22 THR A 73 -0.248 19.317 -26.750 1.00 0.00 H new ATOM 0 HG23 THR A 73 1.198 20.190 -27.309 1.00 0.00 H new ATOM 1118 N TYR A 74 1.407 17.445 -25.433 1.00 0.00 N ATOM 1119 CA TYR A 74 1.788 17.800 -24.078 1.00 0.00 C ATOM 1120 C TYR A 74 2.910 16.894 -23.567 1.00 0.00 C ATOM 1121 O TYR A 74 2.900 16.478 -22.410 1.00 0.00 O ATOM 1122 CB TYR A 74 0.542 17.582 -23.217 1.00 0.00 C ATOM 1123 CG TYR A 74 -0.741 18.154 -23.823 1.00 0.00 C ATOM 1124 CD1 TYR A 74 -0.752 19.436 -24.333 1.00 0.00 C ATOM 1125 CD2 TYR A 74 -1.888 17.387 -23.862 1.00 0.00 C ATOM 1126 CE1 TYR A 74 -1.959 19.975 -24.903 1.00 0.00 C ATOM 1127 CE2 TYR A 74 -3.095 17.925 -24.433 1.00 0.00 C ATOM 1128 CZ TYR A 74 -3.071 19.193 -24.926 1.00 0.00 C ATOM 1129 OH TYR A 74 -4.212 19.701 -25.465 1.00 0.00 O ATOM 0 H TYR A 74 0.623 16.796 -25.499 1.00 0.00 H new ATOM 0 HA TYR A 74 2.149 18.828 -24.039 1.00 0.00 H new ATOM 0 HB2 TYR A 74 0.409 16.513 -23.053 1.00 0.00 H new ATOM 0 HB3 TYR A 74 0.704 18.037 -22.240 1.00 0.00 H new ATOM 0 HD1 TYR A 74 0.146 20.036 -24.305 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -1.880 16.383 -23.464 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.981 20.978 -25.303 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -3.999 17.335 -24.469 1.00 0.00 H new ATOM 0 HH TYR A 74 -4.743 20.130 -24.762 1.00 0.00 H new ATOM 1139 N ILE A 75 3.851 16.613 -24.457 1.00 0.00 N ATOM 1140 CA ILE A 75 4.978 15.763 -24.113 1.00 0.00 C ATOM 1141 C ILE A 75 6.254 16.608 -24.068 1.00 0.00 C ATOM 1142 O ILE A 75 6.339 17.644 -24.726 1.00 0.00 O ATOM 1143 CB ILE A 75 5.063 14.572 -25.068 1.00 0.00 C ATOM 1144 CG1 ILE A 75 4.259 13.384 -24.536 1.00 0.00 C ATOM 1145 CG2 ILE A 75 6.519 14.198 -25.350 1.00 0.00 C ATOM 1146 CD1 ILE A 75 5.000 12.689 -23.392 1.00 0.00 C ATOM 0 H ILE A 75 3.856 16.959 -25.416 1.00 0.00 H new ATOM 0 HA ILE A 75 4.843 15.336 -23.119 1.00 0.00 H new ATOM 0 HB ILE A 75 4.616 14.864 -26.018 1.00 0.00 H new ATOM 0 HG12 ILE A 75 3.284 13.726 -24.188 1.00 0.00 H new ATOM 0 HG13 ILE A 75 4.078 12.673 -25.342 1.00 0.00 H new ATOM 0 HG21 ILE A 75 6.551 13.348 -26.032 1.00 0.00 H new ATOM 0 HG22 ILE A 75 7.031 15.046 -25.804 1.00 0.00 H new ATOM 0 HG23 ILE A 75 7.014 13.932 -24.416 1.00 0.00 H new ATOM 0 HD11 ILE A 75 4.407 11.848 -23.032 1.00 0.00 H new ATOM 0 HD12 ILE A 75 5.964 12.326 -23.750 1.00 0.00 H new ATOM 0 HD13 ILE A 75 5.158 13.396 -22.578 1.00 0.00 H new ATOM 1158 N ILE A 76 7.211 16.134 -23.286 1.00 0.00 N ATOM 1159 CA ILE A 76 8.478 16.833 -23.146 1.00 0.00 C ATOM 1160 C ILE A 76 9.620 15.891 -23.536 1.00 0.00 C ATOM 1161 O ILE A 76 10.558 16.297 -24.222 1.00 0.00 O ATOM 1162 CB ILE A 76 8.616 17.417 -21.740 1.00 0.00 C ATOM 1163 CG1 ILE A 76 9.704 16.688 -20.947 1.00 0.00 C ATOM 1164 CG2 ILE A 76 7.272 17.410 -21.009 1.00 0.00 C ATOM 1165 CD1 ILE A 76 10.173 17.530 -19.759 1.00 0.00 C ATOM 0 H ILE A 76 7.136 15.274 -22.742 1.00 0.00 H new ATOM 0 HA ILE A 76 8.520 17.685 -23.825 1.00 0.00 H new ATOM 0 HB ILE A 76 8.927 18.458 -21.832 1.00 0.00 H new ATOM 0 HG12 ILE A 76 9.321 15.732 -20.591 1.00 0.00 H new ATOM 0 HG13 ILE A 76 10.550 16.469 -21.599 1.00 0.00 H new ATOM 0 HG21 ILE A 76 7.398 17.831 -20.011 1.00 0.00 H new ATOM 0 HG22 ILE A 76 6.551 18.008 -21.567 1.00 0.00 H new ATOM 0 HG23 ILE A 76 6.907 16.386 -20.928 1.00 0.00 H new ATOM 0 HD11 ILE A 76 10.946 16.989 -19.212 1.00 0.00 H new ATOM 0 HD12 ILE A 76 10.578 18.475 -20.120 1.00 0.00 H new ATOM 0 HD13 ILE A 76 9.330 17.726 -19.097 1.00 0.00 H new ATOM 1177 N GLY A 77 9.504 14.653 -23.082 1.00 0.00 N ATOM 1178 CA GLY A 77 10.515 13.650 -23.374 1.00 0.00 C ATOM 1179 C GLY A 77 10.596 12.610 -22.255 1.00 0.00 C ATOM 1180 O GLY A 77 9.647 11.859 -22.031 1.00 0.00 O ATOM 0 H GLY A 77 8.725 14.320 -22.514 1.00 0.00 H new ATOM 0 HA2 GLY A 77 10.281 13.157 -24.317 1.00 0.00 H new ATOM 0 HA3 GLY A 77 11.485 14.132 -23.498 1.00 0.00 H new ATOM 1184 N GLU A 78 11.737 12.599 -21.582 1.00 0.00 N ATOM 1185 CA GLU A 78 11.954 11.662 -20.493 1.00 0.00 C ATOM 1186 C GLU A 78 13.149 12.103 -19.644 1.00 0.00 C ATOM 1187 O GLU A 78 14.267 12.206 -20.148 1.00 0.00 O ATOM 1188 CB GLU A 78 12.152 10.240 -21.022 1.00 0.00 C ATOM 1189 CG GLU A 78 13.301 10.186 -22.031 1.00 0.00 C ATOM 1190 CD GLU A 78 13.331 8.838 -22.754 1.00 0.00 C ATOM 1191 OE1 GLU A 78 13.857 7.880 -22.148 1.00 0.00 O ATOM 1192 OE2 GLU A 78 12.828 8.797 -23.898 1.00 0.00 O ATOM 0 H GLU A 78 12.521 13.224 -21.770 1.00 0.00 H new ATOM 0 HA GLU A 78 11.066 11.658 -19.862 1.00 0.00 H new ATOM 0 HB2 GLU A 78 12.360 9.565 -20.192 1.00 0.00 H new ATOM 0 HB3 GLU A 78 11.233 9.892 -21.493 1.00 0.00 H new ATOM 0 HG2 GLU A 78 13.190 10.991 -22.758 1.00 0.00 H new ATOM 0 HG3 GLU A 78 14.249 10.349 -21.518 1.00 0.00 H new ATOM 1199 N LEU A 79 12.872 12.351 -18.373 1.00 0.00 N ATOM 1200 CA LEU A 79 13.910 12.779 -17.451 1.00 0.00 C ATOM 1201 C LEU A 79 15.010 11.715 -17.398 1.00 0.00 C ATOM 1202 O LEU A 79 14.796 10.577 -17.814 1.00 0.00 O ATOM 1203 CB LEU A 79 13.309 13.109 -16.082 1.00 0.00 C ATOM 1204 CG LEU A 79 13.240 11.952 -15.084 1.00 0.00 C ATOM 1205 CD1 LEU A 79 12.921 10.634 -15.791 1.00 0.00 C ATOM 1206 CD2 LEU A 79 14.525 11.864 -14.258 1.00 0.00 C ATOM 0 H LEU A 79 11.944 12.264 -17.960 1.00 0.00 H new ATOM 0 HA LEU A 79 14.373 13.701 -17.802 1.00 0.00 H new ATOM 0 HB2 LEU A 79 13.893 13.914 -15.635 1.00 0.00 H new ATOM 0 HB3 LEU A 79 12.300 13.493 -16.233 1.00 0.00 H new ATOM 0 HG LEU A 79 12.423 12.149 -14.390 1.00 0.00 H new ATOM 0 HD11 LEU A 79 12.878 9.829 -15.058 1.00 0.00 H new ATOM 0 HD12 LEU A 79 11.959 10.716 -16.297 1.00 0.00 H new ATOM 0 HD13 LEU A 79 13.698 10.417 -16.523 1.00 0.00 H new ATOM 0 HD21 LEU A 79 14.450 11.033 -13.556 1.00 0.00 H new ATOM 0 HD22 LEU A 79 15.374 11.703 -14.922 1.00 0.00 H new ATOM 0 HD23 LEU A 79 14.667 12.793 -13.706 1.00 0.00 H new ATOM 1218 N HIS A 80 16.160 12.123 -16.885 1.00 0.00 N ATOM 1219 CA HIS A 80 17.292 11.220 -16.773 1.00 0.00 C ATOM 1220 C HIS A 80 16.805 9.837 -16.334 1.00 0.00 C ATOM 1221 O HIS A 80 15.877 9.728 -15.533 1.00 0.00 O ATOM 1222 CB HIS A 80 18.357 11.797 -15.838 1.00 0.00 C ATOM 1223 CG HIS A 80 19.752 11.282 -16.104 1.00 0.00 C ATOM 1224 ND1 HIS A 80 20.454 10.516 -15.191 1.00 0.00 N ATOM 1225 CD2 HIS A 80 20.565 11.431 -17.189 1.00 0.00 C ATOM 1226 CE1 HIS A 80 21.637 10.223 -15.713 1.00 0.00 C ATOM 1227 NE2 HIS A 80 21.704 10.792 -16.950 1.00 0.00 N ATOM 0 H HIS A 80 16.333 13.068 -16.542 1.00 0.00 H new ATOM 0 HA HIS A 80 17.768 11.107 -17.747 1.00 0.00 H new ATOM 0 HB2 HIS A 80 18.358 12.883 -15.931 1.00 0.00 H new ATOM 0 HB3 HIS A 80 18.086 11.566 -14.808 1.00 0.00 H new ATOM 0 HD1 HIS A 80 20.119 10.226 -14.272 1.00 0.00 H new ATOM 0 HD2 HIS A 80 20.323 11.976 -18.089 1.00 0.00 H new ATOM 0 HE1 HIS A 80 22.411 9.637 -15.241 1.00 0.00 H new ATOM 1235 N PRO A 81 17.469 8.791 -16.893 1.00 0.00 N ATOM 1236 CA PRO A 81 17.112 7.420 -16.568 1.00 0.00 C ATOM 1237 C PRO A 81 17.614 7.038 -15.174 1.00 0.00 C ATOM 1238 O PRO A 81 16.953 6.291 -14.455 1.00 0.00 O ATOM 1239 CB PRO A 81 17.733 6.579 -17.673 1.00 0.00 C ATOM 1240 CG PRO A 81 18.798 7.455 -18.313 1.00 0.00 C ATOM 1241 CD PRO A 81 18.572 8.883 -17.845 1.00 0.00 C ATOM 0 HA PRO A 81 16.034 7.266 -16.525 1.00 0.00 H new ATOM 0 HB2 PRO A 81 18.169 5.665 -17.270 1.00 0.00 H new ATOM 0 HB3 PRO A 81 16.983 6.279 -18.404 1.00 0.00 H new ATOM 0 HG2 PRO A 81 19.794 7.114 -18.029 1.00 0.00 H new ATOM 0 HG3 PRO A 81 18.738 7.396 -19.400 1.00 0.00 H new ATOM 0 HD2 PRO A 81 19.467 9.292 -17.376 1.00 0.00 H new ATOM 0 HD3 PRO A 81 18.321 9.538 -18.679 1.00 0.00 H new ATOM 1249 N ASP A 82 18.779 7.571 -14.832 1.00 0.00 N ATOM 1250 CA ASP A 82 19.377 7.296 -13.538 1.00 0.00 C ATOM 1251 C ASP A 82 18.564 7.996 -12.446 1.00 0.00 C ATOM 1252 O ASP A 82 18.361 7.442 -11.367 1.00 0.00 O ATOM 1253 CB ASP A 82 20.811 7.823 -13.470 1.00 0.00 C ATOM 1254 CG ASP A 82 21.897 6.746 -13.469 1.00 0.00 C ATOM 1255 OD1 ASP A 82 21.515 5.555 -13.499 1.00 0.00 O ATOM 1256 OD2 ASP A 82 23.084 7.136 -13.439 1.00 0.00 O ATOM 0 H ASP A 82 19.324 8.192 -15.430 1.00 0.00 H new ATOM 0 HA ASP A 82 19.383 6.216 -13.393 1.00 0.00 H new ATOM 0 HB2 ASP A 82 20.979 8.486 -14.319 1.00 0.00 H new ATOM 0 HB3 ASP A 82 20.918 8.426 -12.568 1.00 0.00 H new ATOM 1261 N ASP A 83 18.120 9.202 -12.766 1.00 0.00 N ATOM 1262 CA ASP A 83 17.334 9.984 -11.826 1.00 0.00 C ATOM 1263 C ASP A 83 15.905 9.439 -11.787 1.00 0.00 C ATOM 1264 O ASP A 83 15.174 9.673 -10.826 1.00 0.00 O ATOM 1265 CB ASP A 83 17.268 11.453 -12.251 1.00 0.00 C ATOM 1266 CG ASP A 83 18.607 12.193 -12.229 1.00 0.00 C ATOM 1267 OD1 ASP A 83 19.433 11.897 -13.119 1.00 0.00 O ATOM 1268 OD2 ASP A 83 18.774 13.037 -11.321 1.00 0.00 O ATOM 0 H ASP A 83 18.289 9.657 -13.663 1.00 0.00 H new ATOM 0 HA ASP A 83 17.809 9.913 -10.848 1.00 0.00 H new ATOM 0 HB2 ASP A 83 16.857 11.506 -13.259 1.00 0.00 H new ATOM 0 HB3 ASP A 83 16.571 11.974 -11.595 1.00 0.00 H new ATOM 1273 N ARG A 84 15.549 8.722 -12.844 1.00 0.00 N ATOM 1274 CA ARG A 84 14.221 8.142 -12.942 1.00 0.00 C ATOM 1275 C ARG A 84 14.080 6.969 -11.969 1.00 0.00 C ATOM 1276 O ARG A 84 12.993 6.711 -11.456 1.00 0.00 O ATOM 1277 CB ARG A 84 13.937 7.654 -14.364 1.00 0.00 C ATOM 1278 CG ARG A 84 13.034 6.419 -14.349 1.00 0.00 C ATOM 1279 CD ARG A 84 13.862 5.134 -14.262 1.00 0.00 C ATOM 1280 NE ARG A 84 13.217 4.062 -15.052 1.00 0.00 N ATOM 1281 CZ ARG A 84 13.861 2.985 -15.522 1.00 0.00 C ATOM 1282 NH1 ARG A 84 15.170 2.829 -15.284 1.00 0.00 N ATOM 1283 NH2 ARG A 84 13.194 2.063 -16.229 1.00 0.00 N ATOM 0 H ARG A 84 16.158 8.530 -13.639 1.00 0.00 H new ATOM 0 HA ARG A 84 13.500 8.919 -12.686 1.00 0.00 H new ATOM 0 HB2 ARG A 84 13.462 8.450 -14.937 1.00 0.00 H new ATOM 0 HB3 ARG A 84 14.875 7.417 -14.865 1.00 0.00 H new ATOM 0 HG2 ARG A 84 12.351 6.474 -13.501 1.00 0.00 H new ATOM 0 HG3 ARG A 84 12.422 6.401 -15.251 1.00 0.00 H new ATOM 0 HD2 ARG A 84 14.870 5.315 -14.635 1.00 0.00 H new ATOM 0 HD3 ARG A 84 13.958 4.823 -13.222 1.00 0.00 H new ATOM 0 HE ARG A 84 12.220 4.148 -15.251 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.677 3.530 -14.745 1.00 0.00 H new ATOM 0 HH12 ARG A 84 15.659 2.009 -15.642 1.00 0.00 H new ATOM 0 HH21 ARG A 84 12.197 2.181 -16.409 1.00 0.00 H new ATOM 0 HH22 ARG A 84 13.683 1.243 -16.587 1.00 0.00 H new ATOM 1297 N SER A 85 15.197 6.292 -11.744 1.00 0.00 N ATOM 1298 CA SER A 85 15.211 5.153 -10.842 1.00 0.00 C ATOM 1299 C SER A 85 15.552 5.614 -9.422 1.00 0.00 C ATOM 1300 O SER A 85 15.524 4.819 -8.485 1.00 0.00 O ATOM 1301 CB SER A 85 16.211 4.094 -11.309 1.00 0.00 C ATOM 1302 OG SER A 85 15.706 2.771 -11.139 1.00 0.00 O ATOM 0 H SER A 85 16.098 6.510 -12.170 1.00 0.00 H new ATOM 0 HA SER A 85 14.218 4.703 -10.843 1.00 0.00 H new ATOM 0 HB2 SER A 85 16.450 4.259 -12.360 1.00 0.00 H new ATOM 0 HB3 SER A 85 17.141 4.202 -10.750 1.00 0.00 H new ATOM 0 HG SER A 85 16.373 2.124 -11.450 1.00 0.00 H new ATOM 1308 N LYS A 86 15.864 6.897 -9.311 1.00 0.00 N ATOM 1309 CA LYS A 86 16.209 7.473 -8.022 1.00 0.00 C ATOM 1310 C LYS A 86 14.930 7.726 -7.223 1.00 0.00 C ATOM 1311 O LYS A 86 14.909 7.549 -6.005 1.00 0.00 O ATOM 1312 CB LYS A 86 17.076 8.720 -8.208 1.00 0.00 C ATOM 1313 CG LYS A 86 18.513 8.341 -8.572 1.00 0.00 C ATOM 1314 CD LYS A 86 19.410 8.338 -7.332 1.00 0.00 C ATOM 1315 CE LYS A 86 19.314 7.006 -6.589 1.00 0.00 C ATOM 1316 NZ LYS A 86 18.668 7.193 -5.270 1.00 0.00 N ATOM 0 H LYS A 86 15.885 7.553 -10.092 1.00 0.00 H new ATOM 0 HA LYS A 86 16.814 6.776 -7.442 1.00 0.00 H new ATOM 0 HB2 LYS A 86 16.652 9.348 -8.992 1.00 0.00 H new ATOM 0 HB3 LYS A 86 17.073 9.309 -7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 86 18.526 7.355 -9.037 1.00 0.00 H new ATOM 0 HG3 LYS A 86 18.904 9.045 -9.306 1.00 0.00 H new ATOM 0 HD2 LYS A 86 20.444 8.521 -7.626 1.00 0.00 H new ATOM 0 HD3 LYS A 86 19.120 9.151 -6.667 1.00 0.00 H new ATOM 0 HE2 LYS A 86 18.743 6.292 -7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 86 20.310 6.584 -6.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 18.611 6.278 -4.779 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 19.229 7.858 -4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 17.710 7.575 -5.404 1.00 0.00 H new ATOM 1330 N ILE A 87 13.893 8.136 -7.939 1.00 0.00 N ATOM 1331 CA ILE A 87 12.613 8.415 -7.311 1.00 0.00 C ATOM 1332 C ILE A 87 11.990 7.104 -6.829 1.00 0.00 C ATOM 1333 O ILE A 87 11.055 7.114 -6.031 1.00 0.00 O ATOM 1334 CB ILE A 87 11.714 9.211 -8.259 1.00 0.00 C ATOM 1335 CG1 ILE A 87 12.067 10.699 -8.230 1.00 0.00 C ATOM 1336 CG2 ILE A 87 10.236 8.967 -7.947 1.00 0.00 C ATOM 1337 CD1 ILE A 87 11.428 11.438 -9.408 1.00 0.00 C ATOM 0 H ILE A 87 13.913 8.282 -8.948 1.00 0.00 H new ATOM 0 HA ILE A 87 12.749 9.046 -6.432 1.00 0.00 H new ATOM 0 HB ILE A 87 11.892 8.858 -9.275 1.00 0.00 H new ATOM 0 HG12 ILE A 87 11.727 11.139 -7.293 1.00 0.00 H new ATOM 0 HG13 ILE A 87 13.150 10.820 -8.264 1.00 0.00 H new ATOM 0 HG21 ILE A 87 9.619 9.544 -8.635 1.00 0.00 H new ATOM 0 HG22 ILE A 87 10.011 7.907 -8.060 1.00 0.00 H new ATOM 0 HG23 ILE A 87 10.024 9.276 -6.923 1.00 0.00 H new ATOM 0 HD11 ILE A 87 11.695 12.494 -9.363 1.00 0.00 H new ATOM 0 HD12 ILE A 87 11.789 11.012 -10.344 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.344 11.335 -9.357 1.00 0.00 H new ATOM 1349 N ALA A 88 12.534 6.006 -7.332 1.00 0.00 N ATOM 1350 CA ALA A 88 12.044 4.689 -6.963 1.00 0.00 C ATOM 1351 C ALA A 88 11.697 4.679 -5.472 1.00 0.00 C ATOM 1352 O ALA A 88 12.574 4.497 -4.629 1.00 0.00 O ATOM 1353 CB ALA A 88 13.091 3.634 -7.326 1.00 0.00 C ATOM 0 H ALA A 88 13.311 6.001 -7.993 1.00 0.00 H new ATOM 0 HA ALA A 88 11.135 4.448 -7.515 1.00 0.00 H new ATOM 0 HB1 ALA A 88 12.723 2.646 -7.049 1.00 0.00 H new ATOM 0 HB2 ALA A 88 13.280 3.663 -8.399 1.00 0.00 H new ATOM 0 HB3 ALA A 88 14.017 3.840 -6.789 1.00 0.00 H new TER 1359 ALA A 88 HETATM 1360 FE HEM A 95 -6.206 12.382 -15.605 1.00 0.00 FE HETATM 1361 CHA HEM A 95 -9.541 11.970 -15.580 1.00 0.00 C HETATM 1362 CHB HEM A 95 -6.229 12.389 -19.001 1.00 0.00 C HETATM 1363 CHC HEM A 95 -2.857 12.819 -15.610 1.00 0.00 C HETATM 1364 CHD HEM A 95 -6.169 12.397 -12.192 1.00 0.00 C HETATM 1365 NA HEM A 95 -7.628 12.199 -16.997 1.00 0.00 N HETATM 1366 C1A HEM A 95 -8.966 12.048 -16.773 1.00 0.00 C HETATM 1367 C2A HEM A 95 -9.646 11.960 -18.062 1.00 0.00 C HETATM 1368 C3A HEM A 95 -8.710 12.085 -19.017 1.00 0.00 C HETATM 1369 C4A HEM A 95 -7.450 12.247 -18.350 1.00 0.00 C HETATM 1370 CMA HEM A 95 -8.968 12.014 -20.515 1.00 0.00 C HETATM 1371 CAA HEM A 95 -10.971 11.182 -18.390 1.00 0.00 C HETATM 1372 CBA HEM A 95 -11.133 9.667 -18.126 1.00 0.00 C HETATM 1373 CGA HEM A 95 -10.025 8.830 -18.749 1.00 0.00 C HETATM 1374 O1A HEM A 95 -9.732 9.014 -19.956 1.00 0.00 O HETATM 1375 O2A HEM A 95 -9.421 7.987 -18.037 1.00 0.00 O HETATM 1376 NB HEM A 95 -4.810 12.558 -17.014 1.00 0.00 N HETATM 1377 C1B HEM A 95 -5.017 12.533 -18.360 1.00 0.00 C HETATM 1378 C2B HEM A 95 -3.758 12.702 -19.067 1.00 0.00 C HETATM 1379 C3B HEM A 95 -2.811 12.822 -18.124 1.00 0.00 C HETATM 1380 C4B HEM A 95 -3.468 12.751 -16.819 1.00 0.00 C HETATM 1381 CMB HEM A 95 -3.516 12.717 -20.567 1.00 0.00 C HETATM 1382 CAB HEM A 95 -1.333 13.005 -18.374 1.00 0.00 C HETATM 1383 CBB HEM A 95 -0.632 12.750 -19.340 1.00 0.00 C HETATM 1384 NC HEM A 95 -4.786 12.586 -14.183 1.00 0.00 N HETATM 1385 C1C HEM A 95 -3.447 12.749 -14.394 1.00 0.00 C HETATM 1386 C2C HEM A 95 -2.751 12.826 -13.131 1.00 0.00 C HETATM 1387 C3C HEM A 95 -3.718 12.727 -12.144 1.00 0.00 C HETATM 1388 C4C HEM A 95 -4.969 12.552 -12.814 1.00 0.00 C HETATM 1389 CMC HEM A 95 -1.293 13.020 -12.871 1.00 0.00 C HETATM 1390 CAC HEM A 95 -3.432 12.774 -10.678 1.00 0.00 C HETATM 1391 CBC HEM A 95 -2.738 12.165 -10.080 1.00 0.00 C HETATM 1392 ND HEM A 95 -7.604 12.221 -14.173 1.00 0.00 N HETATM 1393 C1D HEM A 95 -7.391 12.247 -12.808 1.00 0.00 C HETATM 1394 C2D HEM A 95 -8.682 12.085 -12.113 1.00 0.00 C HETATM 1395 C3D HEM A 95 -9.587 11.967 -13.071 1.00 0.00 C HETATM 1396 C4D HEM A 95 -8.931 12.054 -14.353 1.00 0.00 C HETATM 1397 CMD HEM A 95 -8.881 12.071 -10.627 1.00 0.00 C HETATM 1398 CAD HEM A 95 -11.199 12.016 -13.039 1.00 0.00 C HETATM 1399 CBD HEM A 95 -11.693 13.471 -13.237 1.00 0.00 C HETATM 1400 CGD HEM A 95 -12.299 14.038 -11.954 1.00 0.00 C HETATM 1401 O1D HEM A 95 -12.865 13.379 -11.083 1.00 0.00 O HETATM 1402 O2D HEM A 95 -12.387 15.355 -12.076 1.00 0.00 O HETATM 0 HMA1 HEM A 95 -8.217 12.602 -21.042 1.00 0.00 H new HETATM 0 HMA2 HEM A 95 -9.959 12.412 -20.733 1.00 0.00 H new HETATM 0 HMA3 HEM A 95 -8.914 10.977 -20.845 1.00 0.00 H new HETATM 0 HMB1 HEM A 95 -2.660 13.354 -20.791 1.00 0.00 H new HETATM 0 HMB2 HEM A 95 -4.400 13.104 -21.074 1.00 0.00 H new HETATM 0 HMB3 HEM A 95 -3.314 11.703 -20.913 1.00 0.00 H new HETATM 0 HMC1 HEM A 95 -0.717 12.591 -13.691 1.00 0.00 H new HETATM 0 HMC2 HEM A 95 -1.021 12.526 -11.939 1.00 0.00 H new HETATM 0 HMC3 HEM A 95 -1.076 14.085 -12.794 1.00 0.00 H new HETATM 0 HMD1 HEM A 95 -9.870 12.463 -10.389 1.00 0.00 H new HETATM 0 HMD2 HEM A 95 -8.121 12.692 -10.152 1.00 0.00 H new HETATM 0 HMD3 HEM A 95 -8.797 11.049 -10.258 1.00 0.00 H new HETATM 0 HBB1 HEM A 95 0.436 12.967 -19.311 1.00 0.00 H new HETATM 0 HBB2 HEM A 95 -1.074 12.305 -20.232 1.00 0.00 H new HETATM 0 HBC1 HEM A 95 -2.652 12.333 -9.007 1.00 0.00 H new HETATM 0 HBC2 HEM A 95 -2.137 11.393 -10.561 1.00 0.00 H new HETATM 0 HBA1 HEM A 95 -12.094 9.337 -18.519 1.00 0.00 H new HETATM 0 HBA2 HEM A 95 -11.151 9.492 -17.050 1.00 0.00 H new HETATM 0 HAA1 HEM A 95 -11.169 11.336 -19.451 1.00 0.00 H new HETATM 0 HAA2 HEM A 95 -11.770 11.681 -17.841 1.00 0.00 H new HETATM 0 HBD1 HEM A 95 -12.436 13.498 -14.034 1.00 0.00 H new HETATM 0 HBD2 HEM A 95 -10.860 14.099 -13.555 1.00 0.00 H new HETATM 0 HAD1 HEM A 95 -11.563 11.626 -12.088 1.00 0.00 H new HETATM 0 HAD2 HEM A 95 -11.605 11.376 -13.822 1.00 0.00 H new HETATM 0 HHA HEM A 95 -10.611 11.824 -15.573 1.00 0.00 H new HETATM 0 HHB HEM A 95 -6.231 12.386 -20.081 1.00 0.00 H new HETATM 0 HHC HEM A 95 -1.784 12.942 -15.619 1.00 0.00 H new HETATM 0 HHD HEM A 95 -6.162 12.391 -11.112 1.00 0.00 H new HETATM 0 HAB HEM A 95 -0.792 13.446 -17.537 1.00 0.00 H new HETATM 0 HAC HEM A 95 -3.994 13.522 -10.119 1.00 0.00 H new