USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 584 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 45 SER OG : rot 73:sc= 2.04 USER MOD Set 1.2: A 58 THR OG1 : rot 108:sc= 1.14 USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 160:sc= 1.18 USER MOD Single : A 12 GLN : amide:sc= 1.17 K(o=1.2,f=-7.1!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -33:sc= 1.11 USER MOD Single : A 22 SER OG : rot 170:sc= 0.143 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0.0958 USER MOD Single : A 32 THR OG1 : rot -150:sc=-0.00295 USER MOD Single : A 36 THR OG1 : rot 61:sc= 0.618 USER MOD Single : A 37 SER OG : rot 180:sc= 0.137 USER MOD Single : A 42 HIS : no HD1:sc= -0.368 K(o=-0.37,f=-9.5!) USER MOD Single : A 46 HIS : no HD1:sc= 0.708 K(o=0.71,f=-3!) USER MOD Single : A 47 LYS NZ :NH3+ -169:sc= 0.955 (180deg=0.875) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 53 GLN : amide:sc= 0.663 K(o=0.66,f=-0.76) USER MOD Single : A 55 MET CE :methyl -175:sc= 0 (180deg=-0.0536) USER MOD Single : A 56 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 57 HIS : no HE2:sc= -5.44! C(o=-5.4!,f=-9!) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.17) USER MOD Single : A 69 GLN :FLIP amide:sc= -1.32 F(o=-2.5!,f=-1.3) USER MOD Single : A 70 THR OG1 : rot -15:sc= 1.2 USER MOD Single : A 71 SER OG : rot 180:sc= -0.16 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ -172:sc= 0.202 (180deg=0.122) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ -154:sc= 1.09 (180deg=0.593) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 13.445 10.681 -11.616 1.00 0.00 N ATOM 2 CA ALA A 1 13.840 9.715 -12.630 1.00 0.00 C ATOM 3 C ALA A 1 14.409 8.457 -11.969 1.00 0.00 C ATOM 4 O ALA A 1 13.919 7.353 -12.198 1.00 0.00 O ATOM 5 CB ALA A 1 14.852 10.354 -13.586 1.00 0.00 C ATOM 0 H1 ALA A 1 13.060 11.530 -12.077 1.00 0.00 H new ATOM 0 H2 ALA A 1 12.718 10.262 -11.001 1.00 0.00 H new ATOM 0 H3 ALA A 1 14.273 10.942 -11.044 1.00 0.00 H new ATOM 0 HA ALA A 1 12.966 9.417 -13.209 1.00 0.00 H new ATOM 0 HB1 ALA A 1 15.145 9.628 -14.344 1.00 0.00 H new ATOM 0 HB2 ALA A 1 14.399 11.220 -14.069 1.00 0.00 H new ATOM 0 HB3 ALA A 1 15.732 10.670 -13.026 1.00 0.00 H new ATOM 12 N VAL A 2 15.439 8.620 -11.133 1.00 0.00 N ATOM 13 CA VAL A 2 16.084 7.523 -10.421 1.00 0.00 C ATOM 14 C VAL A 2 15.214 7.087 -9.231 1.00 0.00 C ATOM 15 O VAL A 2 15.610 7.173 -8.072 1.00 0.00 O ATOM 16 CB VAL A 2 17.542 7.912 -10.084 1.00 0.00 C ATOM 17 CG1 VAL A 2 17.691 9.132 -9.161 1.00 0.00 C ATOM 18 CG2 VAL A 2 18.339 6.724 -9.527 1.00 0.00 C ATOM 0 H VAL A 2 15.850 9.531 -10.932 1.00 0.00 H new ATOM 0 HA VAL A 2 16.165 6.632 -11.044 1.00 0.00 H new ATOM 0 HB VAL A 2 17.963 8.210 -11.044 1.00 0.00 H new ATOM 0 HG11 VAL A 2 18.749 9.326 -8.983 1.00 0.00 H new ATOM 0 HG12 VAL A 2 17.237 10.003 -9.633 1.00 0.00 H new ATOM 0 HG13 VAL A 2 17.194 8.933 -8.212 1.00 0.00 H new ATOM 0 HG21 VAL A 2 19.358 7.042 -9.304 1.00 0.00 H new ATOM 0 HG22 VAL A 2 17.864 6.362 -8.615 1.00 0.00 H new ATOM 0 HG23 VAL A 2 18.362 5.923 -10.266 1.00 0.00 H new ATOM 28 N ILE A 3 13.997 6.623 -9.520 1.00 0.00 N ATOM 29 CA ILE A 3 13.069 6.157 -8.502 1.00 0.00 C ATOM 30 C ILE A 3 13.624 4.866 -7.896 1.00 0.00 C ATOM 31 O ILE A 3 14.007 3.954 -8.629 1.00 0.00 O ATOM 32 CB ILE A 3 11.668 5.949 -9.112 1.00 0.00 C ATOM 33 CG1 ILE A 3 11.135 7.193 -9.849 1.00 0.00 C ATOM 34 CG2 ILE A 3 10.669 5.503 -8.035 1.00 0.00 C ATOM 35 CD1 ILE A 3 11.126 8.477 -9.012 1.00 0.00 C ATOM 0 H ILE A 3 13.631 6.562 -10.470 1.00 0.00 H new ATOM 0 HA ILE A 3 12.965 6.900 -7.712 1.00 0.00 H new ATOM 0 HB ILE A 3 11.774 5.162 -9.859 1.00 0.00 H new ATOM 0 HG12 ILE A 3 11.742 7.360 -10.739 1.00 0.00 H new ATOM 0 HG13 ILE A 3 10.120 6.990 -10.189 1.00 0.00 H new ATOM 0 HG21 ILE A 3 9.687 5.362 -8.486 1.00 0.00 H new ATOM 0 HG22 ILE A 3 11.004 4.564 -7.594 1.00 0.00 H new ATOM 0 HG23 ILE A 3 10.606 6.266 -7.259 1.00 0.00 H new ATOM 0 HD11 ILE A 3 10.736 9.299 -9.611 1.00 0.00 H new ATOM 0 HD12 ILE A 3 10.494 8.335 -8.135 1.00 0.00 H new ATOM 0 HD13 ILE A 3 12.142 8.711 -8.693 1.00 0.00 H new ATOM 47 N THR A 4 13.657 4.776 -6.565 1.00 0.00 N ATOM 48 CA THR A 4 14.175 3.652 -5.798 1.00 0.00 C ATOM 49 C THR A 4 13.264 2.416 -5.896 1.00 0.00 C ATOM 50 O THR A 4 12.801 1.929 -4.871 1.00 0.00 O ATOM 51 CB THR A 4 14.317 4.138 -4.339 1.00 0.00 C ATOM 52 OG1 THR A 4 14.622 5.522 -4.322 1.00 0.00 O ATOM 53 CG2 THR A 4 15.405 3.373 -3.582 1.00 0.00 C ATOM 0 H THR A 4 13.305 5.524 -5.968 1.00 0.00 H new ATOM 0 HA THR A 4 15.138 3.333 -6.197 1.00 0.00 H new ATOM 0 HB THR A 4 13.366 3.953 -3.840 1.00 0.00 H new ATOM 0 HG1 THR A 4 14.396 5.896 -3.445 1.00 0.00 H new ATOM 0 HG21 THR A 4 15.470 3.748 -2.561 1.00 0.00 H new ATOM 0 HG22 THR A 4 15.158 2.312 -3.564 1.00 0.00 H new ATOM 0 HG23 THR A 4 16.363 3.514 -4.082 1.00 0.00 H new ATOM 61 N GLY A 5 13.018 1.909 -7.113 1.00 0.00 N ATOM 62 CA GLY A 5 12.134 0.786 -7.433 1.00 0.00 C ATOM 63 C GLY A 5 12.013 -0.239 -6.306 1.00 0.00 C ATOM 64 O GLY A 5 10.935 -0.406 -5.732 1.00 0.00 O ATOM 0 H GLY A 5 13.458 2.297 -7.947 1.00 0.00 H new ATOM 0 HA2 GLY A 5 11.142 1.171 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 5 12.504 0.287 -8.328 1.00 0.00 H new ATOM 68 N ALA A 6 13.120 -0.927 -6.010 1.00 0.00 N ATOM 69 CA ALA A 6 13.219 -1.845 -4.886 1.00 0.00 C ATOM 70 C ALA A 6 13.522 -0.979 -3.665 1.00 0.00 C ATOM 71 O ALA A 6 14.573 -0.341 -3.613 1.00 0.00 O ATOM 72 CB ALA A 6 14.322 -2.876 -5.140 1.00 0.00 C ATOM 0 H ALA A 6 13.979 -0.857 -6.555 1.00 0.00 H new ATOM 0 HA ALA A 6 12.300 -2.412 -4.736 1.00 0.00 H new ATOM 0 HB1 ALA A 6 14.386 -3.557 -4.291 1.00 0.00 H new ATOM 0 HB2 ALA A 6 14.091 -3.442 -6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 6 15.276 -2.364 -5.267 1.00 0.00 H new ATOM 78 N CYS A 7 12.593 -0.924 -2.713 1.00 0.00 N ATOM 79 CA CYS A 7 12.669 -0.058 -1.546 1.00 0.00 C ATOM 80 C CYS A 7 12.143 -0.822 -0.343 1.00 0.00 C ATOM 81 O CYS A 7 11.178 -1.558 -0.493 1.00 0.00 O ATOM 82 CB CYS A 7 11.810 1.172 -1.822 1.00 0.00 C ATOM 83 SG CYS A 7 11.230 2.024 -0.350 1.00 0.00 S ATOM 0 H CYS A 7 11.748 -1.495 -2.735 1.00 0.00 H new ATOM 0 HA CYS A 7 13.694 0.253 -1.343 1.00 0.00 H new ATOM 0 HB2 CYS A 7 12.385 1.872 -2.428 1.00 0.00 H new ATOM 0 HB3 CYS A 7 10.947 0.871 -2.415 1.00 0.00 H new ATOM 88 N GLU A 8 12.737 -0.645 0.839 1.00 0.00 N ATOM 89 CA GLU A 8 12.378 -1.376 2.040 1.00 0.00 C ATOM 90 C GLU A 8 11.469 -0.589 2.988 1.00 0.00 C ATOM 91 O GLU A 8 10.858 -1.197 3.869 1.00 0.00 O ATOM 92 CB GLU A 8 13.681 -1.845 2.691 1.00 0.00 C ATOM 93 CG GLU A 8 14.413 -2.860 1.791 1.00 0.00 C ATOM 94 CD GLU A 8 13.505 -4.002 1.331 1.00 0.00 C ATOM 95 OE1 GLU A 8 12.942 -4.667 2.227 1.00 0.00 O ATOM 96 OE2 GLU A 8 13.343 -4.159 0.100 1.00 0.00 O ATOM 0 H GLU A 8 13.493 0.024 0.983 1.00 0.00 H new ATOM 0 HA GLU A 8 11.765 -2.238 1.777 1.00 0.00 H new ATOM 0 HB2 GLU A 8 14.327 -0.988 2.879 1.00 0.00 H new ATOM 0 HB3 GLU A 8 13.466 -2.300 3.658 1.00 0.00 H new ATOM 0 HG2 GLU A 8 14.812 -2.344 0.918 1.00 0.00 H new ATOM 0 HG3 GLU A 8 15.264 -3.273 2.333 1.00 0.00 H new ATOM 103 N ARG A 9 11.392 0.736 2.834 1.00 0.00 N ATOM 104 CA ARG A 9 10.461 1.584 3.568 1.00 0.00 C ATOM 105 C ARG A 9 10.202 2.884 2.801 1.00 0.00 C ATOM 106 O ARG A 9 11.144 3.540 2.359 1.00 0.00 O ATOM 107 CB ARG A 9 10.882 1.843 5.019 1.00 0.00 C ATOM 108 CG ARG A 9 12.305 2.369 5.262 1.00 0.00 C ATOM 109 CD ARG A 9 13.362 1.261 5.304 1.00 0.00 C ATOM 110 NE ARG A 9 14.675 1.801 5.677 1.00 0.00 N ATOM 111 CZ ARG A 9 15.803 1.079 5.724 1.00 0.00 C ATOM 112 NH1 ARG A 9 15.780 -0.228 5.443 1.00 0.00 N ATOM 113 NH2 ARG A 9 16.953 1.675 6.056 1.00 0.00 N ATOM 0 H ARG A 9 11.985 1.253 2.185 1.00 0.00 H new ATOM 0 HA ARG A 9 9.523 1.034 3.641 1.00 0.00 H new ATOM 0 HB2 ARG A 9 10.181 2.558 5.450 1.00 0.00 H new ATOM 0 HB3 ARG A 9 10.769 0.911 5.573 1.00 0.00 H new ATOM 0 HG2 ARG A 9 12.562 3.077 4.475 1.00 0.00 H new ATOM 0 HG3 ARG A 9 12.326 2.918 6.204 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.063 0.495 6.020 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.427 0.778 4.329 1.00 0.00 H new ATOM 0 HE ARG A 9 14.733 2.791 5.916 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.901 -0.680 5.191 1.00 0.00 H new ATOM 0 HH12 ARG A 9 16.641 -0.773 5.480 1.00 0.00 H new ATOM 0 HH21 ARG A 9 16.967 2.672 6.271 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.816 1.133 6.094 1.00 0.00 H new ATOM 127 N ASP A 10 8.914 3.227 2.668 1.00 0.00 N ATOM 128 CA ASP A 10 8.316 4.352 1.943 1.00 0.00 C ATOM 129 C ASP A 10 9.267 5.515 1.648 1.00 0.00 C ATOM 130 O ASP A 10 9.471 5.896 0.493 1.00 0.00 O ATOM 131 CB ASP A 10 7.108 4.882 2.729 1.00 0.00 C ATOM 132 CG ASP A 10 6.028 3.856 3.017 1.00 0.00 C ATOM 133 OD1 ASP A 10 6.092 2.707 2.527 1.00 0.00 O ATOM 134 OD2 ASP A 10 5.123 4.219 3.796 1.00 0.00 O ATOM 0 H ASP A 10 8.191 2.662 3.113 1.00 0.00 H new ATOM 0 HA ASP A 10 8.027 3.950 0.972 1.00 0.00 H new ATOM 0 HB2 ASP A 10 7.461 5.291 3.676 1.00 0.00 H new ATOM 0 HB3 ASP A 10 6.665 5.707 2.171 1.00 0.00 H new ATOM 139 N LEU A 11 9.813 6.095 2.719 1.00 0.00 N ATOM 140 CA LEU A 11 10.695 7.253 2.707 1.00 0.00 C ATOM 141 C LEU A 11 11.806 7.139 1.662 1.00 0.00 C ATOM 142 O LEU A 11 12.133 8.127 1.009 1.00 0.00 O ATOM 143 CB LEU A 11 11.248 7.456 4.127 1.00 0.00 C ATOM 144 CG LEU A 11 12.062 8.751 4.300 1.00 0.00 C ATOM 145 CD1 LEU A 11 11.840 9.313 5.710 1.00 0.00 C ATOM 146 CD2 LEU A 11 13.567 8.515 4.104 1.00 0.00 C ATOM 0 H LEU A 11 9.640 5.749 3.663 1.00 0.00 H new ATOM 0 HA LEU A 11 10.123 8.132 2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.417 7.464 4.832 1.00 0.00 H new ATOM 0 HB3 LEU A 11 11.878 6.605 4.386 1.00 0.00 H new ATOM 0 HG LEU A 11 11.719 9.454 3.541 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.417 10.230 5.831 1.00 0.00 H new ATOM 0 HD12 LEU A 11 10.781 9.529 5.853 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.164 8.580 6.449 1.00 0.00 H new ATOM 0 HD21 LEU A 11 14.103 9.455 4.235 1.00 0.00 H new ATOM 0 HD22 LEU A 11 13.920 7.791 4.838 1.00 0.00 H new ATOM 0 HD23 LEU A 11 13.747 8.132 3.100 1.00 0.00 H new ATOM 158 N GLN A 12 12.387 5.946 1.499 1.00 0.00 N ATOM 159 CA GLN A 12 13.475 5.727 0.554 1.00 0.00 C ATOM 160 C GLN A 12 13.030 5.952 -0.895 1.00 0.00 C ATOM 161 O GLN A 12 13.875 6.223 -1.748 1.00 0.00 O ATOM 162 CB GLN A 12 14.020 4.301 0.690 1.00 0.00 C ATOM 163 CG GLN A 12 14.510 3.939 2.096 1.00 0.00 C ATOM 164 CD GLN A 12 14.809 2.444 2.185 1.00 0.00 C ATOM 165 OE1 GLN A 12 13.960 1.612 1.870 1.00 0.00 O ATOM 166 NE2 GLN A 12 16.019 2.079 2.598 1.00 0.00 N ATOM 0 H GLN A 12 12.114 5.111 2.018 1.00 0.00 H new ATOM 0 HA GLN A 12 14.254 6.451 0.792 1.00 0.00 H new ATOM 0 HB2 GLN A 12 13.239 3.598 0.399 1.00 0.00 H new ATOM 0 HB3 GLN A 12 14.843 4.172 -0.012 1.00 0.00 H new ATOM 0 HG2 GLN A 12 15.407 4.511 2.334 1.00 0.00 H new ATOM 0 HG3 GLN A 12 13.754 4.210 2.833 1.00 0.00 H new ATOM 0 HE21 GLN A 12 16.706 2.788 2.854 1.00 0.00 H new ATOM 0 HE22 GLN A 12 16.260 1.090 2.659 1.00 0.00 H new ATOM 175 N CYS A 13 11.734 5.788 -1.189 1.00 0.00 N ATOM 176 CA CYS A 13 11.198 5.940 -2.535 1.00 0.00 C ATOM 177 C CYS A 13 10.475 7.267 -2.718 1.00 0.00 C ATOM 178 O CYS A 13 10.792 8.015 -3.640 1.00 0.00 O ATOM 179 CB CYS A 13 10.286 4.772 -2.891 1.00 0.00 C ATOM 180 SG CYS A 13 9.966 4.728 -4.662 1.00 0.00 S ATOM 0 H CYS A 13 11.030 5.545 -0.492 1.00 0.00 H new ATOM 0 HA CYS A 13 12.046 5.939 -3.220 1.00 0.00 H new ATOM 0 HB2 CYS A 13 10.747 3.836 -2.577 1.00 0.00 H new ATOM 0 HB3 CYS A 13 9.345 4.861 -2.349 1.00 0.00 H new ATOM 185 N GLY A 14 9.505 7.566 -1.850 1.00 0.00 N ATOM 186 CA GLY A 14 8.749 8.807 -1.929 1.00 0.00 C ATOM 187 C GLY A 14 7.315 8.621 -1.443 1.00 0.00 C ATOM 188 O GLY A 14 6.655 7.648 -1.803 1.00 0.00 O ATOM 0 H GLY A 14 9.227 6.957 -1.081 1.00 0.00 H new ATOM 0 HA2 GLY A 14 9.241 9.573 -1.329 1.00 0.00 H new ATOM 0 HA3 GLY A 14 8.742 9.165 -2.959 1.00 0.00 H new ATOM 192 N LYS A 15 6.825 9.598 -0.673 1.00 0.00 N ATOM 193 CA LYS A 15 5.504 9.633 -0.049 1.00 0.00 C ATOM 194 C LYS A 15 4.347 9.464 -1.047 1.00 0.00 C ATOM 195 O LYS A 15 3.250 9.078 -0.654 1.00 0.00 O ATOM 196 CB LYS A 15 5.366 10.934 0.760 1.00 0.00 C ATOM 197 CG LYS A 15 6.046 10.894 2.141 1.00 0.00 C ATOM 198 CD LYS A 15 7.559 10.620 2.167 1.00 0.00 C ATOM 199 CE LYS A 15 8.385 11.759 1.556 1.00 0.00 C ATOM 200 NZ LYS A 15 9.821 11.423 1.538 1.00 0.00 N ATOM 0 H LYS A 15 7.373 10.431 -0.458 1.00 0.00 H new ATOM 0 HA LYS A 15 5.430 8.773 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.791 11.755 0.182 1.00 0.00 H new ATOM 0 HB3 LYS A 15 4.307 11.154 0.895 1.00 0.00 H new ATOM 0 HG2 LYS A 15 5.866 11.849 2.635 1.00 0.00 H new ATOM 0 HG3 LYS A 15 5.553 10.128 2.739 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.876 10.461 3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.765 9.698 1.624 1.00 0.00 H new ATOM 0 HE2 LYS A 15 8.042 11.957 0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.229 12.673 2.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.357 12.210 1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 10.151 11.258 2.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.969 10.564 0.971 1.00 0.00 H new ATOM 214 N GLY A 16 4.564 9.752 -2.336 1.00 0.00 N ATOM 215 CA GLY A 16 3.556 9.520 -3.369 1.00 0.00 C ATOM 216 C GLY A 16 3.318 8.019 -3.597 1.00 0.00 C ATOM 217 O GLY A 16 2.404 7.619 -4.321 1.00 0.00 O ATOM 0 H GLY A 16 5.436 10.149 -2.687 1.00 0.00 H new ATOM 0 HA2 GLY A 16 2.620 9.998 -3.079 1.00 0.00 H new ATOM 0 HA3 GLY A 16 3.876 9.985 -4.302 1.00 0.00 H new ATOM 221 N THR A 17 4.157 7.172 -3.004 1.00 0.00 N ATOM 222 CA THR A 17 4.066 5.734 -3.086 1.00 0.00 C ATOM 223 C THR A 17 4.263 5.190 -1.668 1.00 0.00 C ATOM 224 O THR A 17 4.468 5.960 -0.729 1.00 0.00 O ATOM 225 CB THR A 17 5.186 5.237 -4.029 1.00 0.00 C ATOM 226 OG1 THR A 17 6.461 5.394 -3.435 1.00 0.00 O ATOM 227 CG2 THR A 17 5.218 5.975 -5.373 1.00 0.00 C ATOM 0 H THR A 17 4.943 7.489 -2.436 1.00 0.00 H new ATOM 0 HA THR A 17 3.105 5.399 -3.477 1.00 0.00 H new ATOM 0 HB THR A 17 4.959 4.186 -4.205 1.00 0.00 H new ATOM 0 HG1 THR A 17 6.461 6.191 -2.865 1.00 0.00 H new ATOM 0 HG21 THR A 17 6.027 5.578 -5.987 1.00 0.00 H new ATOM 0 HG22 THR A 17 4.268 5.834 -5.888 1.00 0.00 H new ATOM 0 HG23 THR A 17 5.382 7.039 -5.200 1.00 0.00 H new ATOM 235 N CYS A 18 4.207 3.871 -1.511 1.00 0.00 N ATOM 236 CA CYS A 18 4.535 3.182 -0.278 1.00 0.00 C ATOM 237 C CYS A 18 5.294 1.925 -0.698 1.00 0.00 C ATOM 238 O CYS A 18 5.047 1.387 -1.780 1.00 0.00 O ATOM 239 CB CYS A 18 3.288 2.899 0.566 1.00 0.00 C ATOM 240 SG CYS A 18 2.779 1.170 0.605 1.00 0.00 S ATOM 0 H CYS A 18 3.924 3.240 -2.261 1.00 0.00 H new ATOM 0 HA CYS A 18 5.156 3.791 0.379 1.00 0.00 H new ATOM 0 HB2 CYS A 18 3.474 3.232 1.587 1.00 0.00 H new ATOM 0 HB3 CYS A 18 2.462 3.498 0.181 1.00 0.00 H new ATOM 245 N CYS A 19 6.246 1.472 0.113 1.00 0.00 N ATOM 246 CA CYS A 19 7.097 0.348 -0.252 1.00 0.00 C ATOM 247 C CYS A 19 6.483 -0.945 0.267 1.00 0.00 C ATOM 248 O CYS A 19 6.772 -1.383 1.379 1.00 0.00 O ATOM 249 CB CYS A 19 8.530 0.614 0.195 1.00 0.00 C ATOM 250 SG CYS A 19 9.184 2.086 -0.633 1.00 0.00 S ATOM 0 H CYS A 19 6.446 1.869 1.031 1.00 0.00 H new ATOM 0 HA CYS A 19 7.155 0.229 -1.334 1.00 0.00 H new ATOM 0 HB2 CYS A 19 8.561 0.752 1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 19 9.156 -0.249 -0.034 1.00 0.00 H new ATOM 255 N ALA A 20 5.598 -1.530 -0.543 1.00 0.00 N ATOM 256 CA ALA A 20 4.853 -2.740 -0.218 1.00 0.00 C ATOM 257 C ALA A 20 5.614 -3.960 -0.721 1.00 0.00 C ATOM 258 O ALA A 20 6.465 -3.843 -1.595 1.00 0.00 O ATOM 259 CB ALA A 20 3.448 -2.679 -0.821 1.00 0.00 C ATOM 0 H ALA A 20 5.376 -1.162 -1.468 1.00 0.00 H new ATOM 0 HA ALA A 20 4.747 -2.819 0.864 1.00 0.00 H new ATOM 0 HB1 ALA A 20 2.904 -3.590 -0.570 1.00 0.00 H new ATOM 0 HB2 ALA A 20 2.917 -1.816 -0.419 1.00 0.00 H new ATOM 0 HB3 ALA A 20 3.521 -2.587 -1.905 1.00 0.00 H new ATOM 265 N VAL A 21 5.322 -5.125 -0.150 1.00 0.00 N ATOM 266 CA VAL A 21 5.964 -6.400 -0.442 1.00 0.00 C ATOM 267 C VAL A 21 6.279 -6.631 -1.928 1.00 0.00 C ATOM 268 O VAL A 21 5.464 -6.329 -2.793 1.00 0.00 O ATOM 269 CB VAL A 21 5.009 -7.492 0.083 1.00 0.00 C ATOM 270 CG1 VAL A 21 5.270 -8.878 -0.503 1.00 0.00 C ATOM 271 CG2 VAL A 21 5.090 -7.587 1.604 1.00 0.00 C ATOM 0 H VAL A 21 4.597 -5.208 0.562 1.00 0.00 H new ATOM 0 HA VAL A 21 6.939 -6.419 0.045 1.00 0.00 H new ATOM 0 HB VAL A 21 4.014 -7.183 -0.239 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.558 -9.590 -0.085 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.154 -8.843 -1.586 1.00 0.00 H new ATOM 0 HG13 VAL A 21 6.284 -9.192 -0.257 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.410 -8.362 1.957 1.00 0.00 H new ATOM 0 HG22 VAL A 21 6.109 -7.837 1.899 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.809 -6.630 2.044 1.00 0.00 H new ATOM 281 N SER A 22 7.445 -7.201 -2.252 1.00 0.00 N ATOM 282 CA SER A 22 7.692 -7.636 -3.618 1.00 0.00 C ATOM 283 C SER A 22 6.780 -8.834 -3.837 1.00 0.00 C ATOM 284 O SER A 22 6.756 -9.750 -3.017 1.00 0.00 O ATOM 285 CB SER A 22 9.142 -8.077 -3.835 1.00 0.00 C ATOM 286 OG SER A 22 9.268 -8.757 -5.075 1.00 0.00 O ATOM 0 H SER A 22 8.212 -7.366 -1.600 1.00 0.00 H new ATOM 0 HA SER A 22 7.504 -6.815 -4.309 1.00 0.00 H new ATOM 0 HB2 SER A 22 9.800 -7.208 -3.820 1.00 0.00 H new ATOM 0 HB3 SER A 22 9.457 -8.729 -3.021 1.00 0.00 H new ATOM 0 HG SER A 22 10.217 -8.892 -5.279 1.00 0.00 H new ATOM 292 N LEU A 23 6.060 -8.858 -4.957 1.00 0.00 N ATOM 293 CA LEU A 23 5.168 -9.959 -5.287 1.00 0.00 C ATOM 294 C LEU A 23 5.942 -11.284 -5.386 1.00 0.00 C ATOM 295 O LEU A 23 5.317 -12.341 -5.410 1.00 0.00 O ATOM 296 CB LEU A 23 4.430 -9.666 -6.612 1.00 0.00 C ATOM 297 CG LEU A 23 3.332 -8.579 -6.574 1.00 0.00 C ATOM 298 CD1 LEU A 23 2.128 -8.924 -5.675 1.00 0.00 C ATOM 299 CD2 LEU A 23 3.889 -7.194 -6.236 1.00 0.00 C ATOM 0 H LEU A 23 6.081 -8.116 -5.657 1.00 0.00 H new ATOM 0 HA LEU A 23 4.434 -10.056 -4.487 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.171 -9.374 -7.356 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.977 -10.594 -6.961 1.00 0.00 H new ATOM 0 HG LEU A 23 2.948 -8.550 -7.594 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.405 -8.109 -5.706 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.657 -9.840 -6.033 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.469 -9.068 -4.650 1.00 0.00 H new ATOM 0 HD21 LEU A 23 3.076 -6.468 -6.222 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.366 -7.223 -5.256 1.00 0.00 H new ATOM 0 HD23 LEU A 23 4.622 -6.903 -6.988 1.00 0.00 H new ATOM 311 N TRP A 24 7.283 -11.239 -5.448 1.00 0.00 N ATOM 312 CA TRP A 24 8.119 -12.411 -5.664 1.00 0.00 C ATOM 313 C TRP A 24 8.716 -12.936 -4.355 1.00 0.00 C ATOM 314 O TRP A 24 8.615 -14.131 -4.087 1.00 0.00 O ATOM 315 CB TRP A 24 9.141 -12.070 -6.760 1.00 0.00 C ATOM 316 CG TRP A 24 8.570 -11.197 -7.848 1.00 0.00 C ATOM 317 CD1 TRP A 24 9.075 -10.002 -8.230 1.00 0.00 C ATOM 318 CD2 TRP A 24 7.277 -11.310 -8.523 1.00 0.00 C ATOM 319 NE1 TRP A 24 8.174 -9.348 -9.046 1.00 0.00 N ATOM 320 CE2 TRP A 24 7.031 -10.099 -9.231 1.00 0.00 C ATOM 321 CE3 TRP A 24 6.239 -12.269 -8.532 1.00 0.00 C ATOM 322 CZ2 TRP A 24 5.811 -9.845 -9.878 1.00 0.00 C ATOM 323 CZ3 TRP A 24 5.036 -12.047 -9.225 1.00 0.00 C ATOM 324 CH2 TRP A 24 4.812 -10.827 -9.880 1.00 0.00 C ATOM 0 H TRP A 24 7.814 -10.374 -5.347 1.00 0.00 H new ATOM 0 HA TRP A 24 7.527 -13.254 -6.021 1.00 0.00 H new ATOM 0 HB2 TRP A 24 9.995 -11.566 -6.308 1.00 0.00 H new ATOM 0 HB3 TRP A 24 9.514 -12.994 -7.202 1.00 0.00 H new ATOM 0 HD1 TRP A 24 10.041 -9.616 -7.939 1.00 0.00 H new ATOM 0 HE1 TRP A 24 8.332 -8.429 -9.459 1.00 0.00 H new ATOM 0 HE3 TRP A 24 6.373 -13.195 -7.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 5.644 -8.899 -10.371 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 4.281 -12.819 -9.253 1.00 0.00 H new ATOM 0 HH2 TRP A 24 3.874 -10.646 -10.383 1.00 0.00 H new ATOM 335 N ILE A 25 9.328 -12.076 -3.528 1.00 0.00 N ATOM 336 CA ILE A 25 9.891 -12.454 -2.250 1.00 0.00 C ATOM 337 C ILE A 25 9.564 -11.415 -1.178 1.00 0.00 C ATOM 338 O ILE A 25 9.955 -10.257 -1.298 1.00 0.00 O ATOM 339 CB ILE A 25 11.411 -12.665 -2.346 1.00 0.00 C ATOM 340 CG1 ILE A 25 12.300 -11.528 -2.896 1.00 0.00 C ATOM 341 CG2 ILE A 25 11.732 -13.993 -3.035 1.00 0.00 C ATOM 342 CD1 ILE A 25 12.116 -11.135 -4.365 1.00 0.00 C ATOM 0 H ILE A 25 9.441 -11.085 -3.744 1.00 0.00 H new ATOM 0 HA ILE A 25 9.436 -13.402 -1.962 1.00 0.00 H new ATOM 0 HB ILE A 25 11.698 -12.673 -1.295 1.00 0.00 H new ATOM 0 HG12 ILE A 25 12.128 -10.641 -2.286 1.00 0.00 H new ATOM 0 HG13 ILE A 25 13.341 -11.816 -2.753 1.00 0.00 H new ATOM 0 HG21 ILE A 25 12.813 -14.121 -3.092 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.299 -14.814 -2.463 1.00 0.00 H new ATOM 0 HG23 ILE A 25 11.313 -13.991 -4.041 1.00 0.00 H new ATOM 0 HD11 ILE A 25 12.803 -10.326 -4.614 1.00 0.00 H new ATOM 0 HD12 ILE A 25 12.323 -11.996 -5.001 1.00 0.00 H new ATOM 0 HD13 ILE A 25 11.091 -10.803 -4.527 1.00 0.00 H new ATOM 354 N LYS A 26 8.918 -11.842 -0.087 1.00 0.00 N ATOM 355 CA LYS A 26 8.607 -10.981 1.051 1.00 0.00 C ATOM 356 C LYS A 26 9.879 -10.338 1.629 1.00 0.00 C ATOM 357 O LYS A 26 9.808 -9.327 2.328 1.00 0.00 O ATOM 358 CB LYS A 26 7.830 -11.792 2.100 1.00 0.00 C ATOM 359 CG LYS A 26 7.262 -10.902 3.215 1.00 0.00 C ATOM 360 CD LYS A 26 6.238 -11.640 4.088 1.00 0.00 C ATOM 361 CE LYS A 26 6.863 -12.813 4.853 1.00 0.00 C ATOM 362 NZ LYS A 26 5.889 -13.434 5.767 1.00 0.00 N ATOM 0 H LYS A 26 8.595 -12.803 0.028 1.00 0.00 H new ATOM 0 HA LYS A 26 7.976 -10.156 0.721 1.00 0.00 H new ATOM 0 HB2 LYS A 26 7.014 -12.327 1.613 1.00 0.00 H new ATOM 0 HB3 LYS A 26 8.488 -12.543 2.537 1.00 0.00 H new ATOM 0 HG2 LYS A 26 8.079 -10.544 3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 26 6.792 -10.024 2.772 1.00 0.00 H new ATOM 0 HD2 LYS A 26 5.797 -10.940 4.798 1.00 0.00 H new ATOM 0 HD3 LYS A 26 5.428 -12.009 3.460 1.00 0.00 H new ATOM 0 HE2 LYS A 26 7.228 -13.558 4.146 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.725 -12.462 5.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 6.340 -14.224 6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 5.560 -12.728 6.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 5.078 -13.789 5.221 1.00 0.00 H new ATOM 376 N SER A 27 11.043 -10.925 1.337 1.00 0.00 N ATOM 377 CA SER A 27 12.345 -10.430 1.734 1.00 0.00 C ATOM 378 C SER A 27 12.650 -9.039 1.160 1.00 0.00 C ATOM 379 O SER A 27 13.509 -8.347 1.699 1.00 0.00 O ATOM 380 CB SER A 27 13.388 -11.439 1.241 1.00 0.00 C ATOM 381 OG SER A 27 12.855 -12.753 1.312 1.00 0.00 O ATOM 0 H SER A 27 11.096 -11.789 0.798 1.00 0.00 H new ATOM 0 HA SER A 27 12.367 -10.325 2.819 1.00 0.00 H new ATOM 0 HB2 SER A 27 13.675 -11.208 0.215 1.00 0.00 H new ATOM 0 HB3 SER A 27 14.291 -11.369 1.848 1.00 0.00 H new ATOM 0 HG SER A 27 13.524 -13.395 0.994 1.00 0.00 H new ATOM 387 N VAL A 28 12.007 -8.657 0.048 1.00 0.00 N ATOM 388 CA VAL A 28 12.216 -7.377 -0.620 1.00 0.00 C ATOM 389 C VAL A 28 10.862 -6.686 -0.771 1.00 0.00 C ATOM 390 O VAL A 28 9.832 -7.357 -0.839 1.00 0.00 O ATOM 391 CB VAL A 28 12.888 -7.620 -1.988 1.00 0.00 C ATOM 392 CG1 VAL A 28 13.092 -6.323 -2.785 1.00 0.00 C ATOM 393 CG2 VAL A 28 14.256 -8.293 -1.809 1.00 0.00 C ATOM 0 H VAL A 28 11.315 -9.245 -0.417 1.00 0.00 H new ATOM 0 HA VAL A 28 12.873 -6.732 -0.037 1.00 0.00 H new ATOM 0 HB VAL A 28 12.211 -8.268 -2.545 1.00 0.00 H new ATOM 0 HG11 VAL A 28 13.568 -6.553 -3.738 1.00 0.00 H new ATOM 0 HG12 VAL A 28 12.126 -5.852 -2.966 1.00 0.00 H new ATOM 0 HG13 VAL A 28 13.727 -5.643 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 28 14.712 -8.455 -2.786 1.00 0.00 H new ATOM 0 HG22 VAL A 28 14.901 -7.651 -1.209 1.00 0.00 H new ATOM 0 HG23 VAL A 28 14.127 -9.251 -1.305 1.00 0.00 H new ATOM 403 N ARG A 29 10.847 -5.351 -0.821 1.00 0.00 N ATOM 404 CA ARG A 29 9.636 -4.565 -1.027 1.00 0.00 C ATOM 405 C ARG A 29 9.878 -3.605 -2.204 1.00 0.00 C ATOM 406 O ARG A 29 11.027 -3.363 -2.585 1.00 0.00 O ATOM 407 CB ARG A 29 9.171 -3.922 0.293 1.00 0.00 C ATOM 408 CG ARG A 29 9.303 -4.886 1.471 1.00 0.00 C ATOM 409 CD ARG A 29 8.611 -4.304 2.708 1.00 0.00 C ATOM 410 NE ARG A 29 7.669 -5.257 3.294 1.00 0.00 N ATOM 411 CZ ARG A 29 7.970 -6.490 3.729 1.00 0.00 C ATOM 412 NH1 ARG A 29 9.222 -6.955 3.673 1.00 0.00 N ATOM 413 NH2 ARG A 29 6.988 -7.258 4.204 1.00 0.00 N ATOM 0 H ARG A 29 11.688 -4.783 -0.718 1.00 0.00 H new ATOM 0 HA ARG A 29 8.788 -5.186 -1.315 1.00 0.00 H new ATOM 0 HB2 ARG A 29 9.761 -3.026 0.488 1.00 0.00 H new ATOM 0 HB3 ARG A 29 8.132 -3.605 0.197 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.859 -5.848 1.215 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.356 -5.068 1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 29 9.361 -4.029 3.450 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.083 -3.390 2.435 1.00 0.00 H new ATOM 0 HE ARG A 29 6.698 -4.958 3.380 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.967 -6.370 3.295 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.432 -7.895 4.008 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.032 -6.904 4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 29 7.194 -8.199 4.540 1.00 0.00 H new ATOM 427 N VAL A 30 8.808 -3.124 -2.842 1.00 0.00 N ATOM 428 CA VAL A 30 8.863 -2.297 -4.041 1.00 0.00 C ATOM 429 C VAL A 30 7.904 -1.105 -3.960 1.00 0.00 C ATOM 430 O VAL A 30 6.843 -1.175 -3.326 1.00 0.00 O ATOM 431 CB VAL A 30 8.568 -3.150 -5.292 1.00 0.00 C ATOM 432 CG1 VAL A 30 9.606 -4.265 -5.475 1.00 0.00 C ATOM 433 CG2 VAL A 30 7.163 -3.772 -5.261 1.00 0.00 C ATOM 0 H VAL A 30 7.855 -3.306 -2.527 1.00 0.00 H new ATOM 0 HA VAL A 30 9.872 -1.893 -4.117 1.00 0.00 H new ATOM 0 HB VAL A 30 8.623 -2.463 -6.137 1.00 0.00 H new ATOM 0 HG11 VAL A 30 9.365 -4.844 -6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 30 10.597 -3.825 -5.586 1.00 0.00 H new ATOM 0 HG13 VAL A 30 9.595 -4.919 -4.603 1.00 0.00 H new ATOM 0 HG21 VAL A 30 7.006 -4.362 -6.164 1.00 0.00 H new ATOM 0 HG22 VAL A 30 7.069 -4.415 -4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.416 -2.980 -5.211 1.00 0.00 H new ATOM 443 N CYS A 31 8.282 -0.009 -4.629 1.00 0.00 N ATOM 444 CA CYS A 31 7.495 1.220 -4.674 1.00 0.00 C ATOM 445 C CYS A 31 6.148 0.949 -5.339 1.00 0.00 C ATOM 446 O CYS A 31 6.063 0.835 -6.560 1.00 0.00 O ATOM 447 CB CYS A 31 8.196 2.341 -5.453 1.00 0.00 C ATOM 448 SG CYS A 31 9.913 2.690 -5.048 1.00 0.00 S ATOM 0 H CYS A 31 9.152 0.046 -5.158 1.00 0.00 H new ATOM 0 HA CYS A 31 7.367 1.547 -3.642 1.00 0.00 H new ATOM 0 HB2 CYS A 31 8.144 2.096 -6.514 1.00 0.00 H new ATOM 0 HB3 CYS A 31 7.624 3.258 -5.310 1.00 0.00 H new ATOM 453 N THR A 32 5.092 0.857 -4.540 1.00 0.00 N ATOM 454 CA THR A 32 3.729 0.655 -4.998 1.00 0.00 C ATOM 455 C THR A 32 3.041 2.015 -4.839 1.00 0.00 C ATOM 456 O THR A 32 3.196 2.638 -3.790 1.00 0.00 O ATOM 457 CB THR A 32 3.123 -0.452 -4.132 1.00 0.00 C ATOM 458 OG1 THR A 32 3.944 -1.604 -4.229 1.00 0.00 O ATOM 459 CG2 THR A 32 1.681 -0.812 -4.501 1.00 0.00 C ATOM 0 H THR A 32 5.166 0.923 -3.525 1.00 0.00 H new ATOM 0 HA THR A 32 3.630 0.335 -6.035 1.00 0.00 H new ATOM 0 HB THR A 32 3.084 -0.074 -3.111 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.395 -2.408 -4.114 1.00 0.00 H new ATOM 0 HG21 THR A 32 1.324 -1.603 -3.842 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.047 0.067 -4.389 1.00 0.00 H new ATOM 0 HG23 THR A 32 1.645 -1.156 -5.535 1.00 0.00 H new ATOM 467 N PRO A 33 2.346 2.541 -5.858 1.00 0.00 N ATOM 468 CA PRO A 33 1.741 3.862 -5.772 1.00 0.00 C ATOM 469 C PRO A 33 0.666 3.909 -4.688 1.00 0.00 C ATOM 470 O PRO A 33 0.119 2.870 -4.316 1.00 0.00 O ATOM 471 CB PRO A 33 1.159 4.134 -7.162 1.00 0.00 C ATOM 472 CG PRO A 33 0.870 2.732 -7.700 1.00 0.00 C ATOM 473 CD PRO A 33 2.010 1.897 -7.115 1.00 0.00 C ATOM 0 HA PRO A 33 2.469 4.624 -5.492 1.00 0.00 H new ATOM 0 HB2 PRO A 33 0.254 4.739 -7.108 1.00 0.00 H new ATOM 0 HB3 PRO A 33 1.864 4.671 -7.796 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -0.105 2.368 -7.375 1.00 0.00 H new ATOM 0 HG3 PRO A 33 0.871 2.710 -8.790 1.00 0.00 H new ATOM 0 HD2 PRO A 33 1.701 0.864 -6.958 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.867 1.875 -7.788 1.00 0.00 H new ATOM 481 N VAL A 34 0.374 5.107 -4.160 1.00 0.00 N ATOM 482 CA VAL A 34 -0.729 5.243 -3.211 1.00 0.00 C ATOM 483 C VAL A 34 -2.003 4.634 -3.813 1.00 0.00 C ATOM 484 O VAL A 34 -2.277 4.783 -5.006 1.00 0.00 O ATOM 485 CB VAL A 34 -0.974 6.705 -2.808 1.00 0.00 C ATOM 486 CG1 VAL A 34 0.010 7.181 -1.738 1.00 0.00 C ATOM 487 CG2 VAL A 34 -0.948 7.646 -4.013 1.00 0.00 C ATOM 0 H VAL A 34 0.874 5.971 -4.369 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.456 4.705 -2.303 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.976 6.736 -2.379 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.202 8.220 -1.485 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.094 6.562 -0.847 1.00 0.00 H new ATOM 0 HG13 VAL A 34 1.028 7.101 -2.119 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.126 8.669 -3.680 1.00 0.00 H new ATOM 0 HG22 VAL A 34 0.025 7.587 -4.500 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.725 7.354 -4.719 1.00 0.00 H new ATOM 497 N GLY A 35 -2.782 3.953 -2.973 1.00 0.00 N ATOM 498 CA GLY A 35 -3.980 3.239 -3.367 1.00 0.00 C ATOM 499 C GLY A 35 -4.990 4.166 -4.041 1.00 0.00 C ATOM 500 O GLY A 35 -5.731 4.892 -3.381 1.00 0.00 O ATOM 0 H GLY A 35 -2.585 3.885 -1.974 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -3.715 2.431 -4.049 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.436 2.779 -2.490 1.00 0.00 H new ATOM 504 N THR A 36 -5.021 4.132 -5.367 1.00 0.00 N ATOM 505 CA THR A 36 -5.894 4.950 -6.188 1.00 0.00 C ATOM 506 C THR A 36 -7.098 4.093 -6.591 1.00 0.00 C ATOM 507 O THR A 36 -7.039 2.868 -6.503 1.00 0.00 O ATOM 508 CB THR A 36 -5.065 5.457 -7.379 1.00 0.00 C ATOM 509 OG1 THR A 36 -3.905 6.106 -6.887 1.00 0.00 O ATOM 510 CG2 THR A 36 -5.825 6.463 -8.249 1.00 0.00 C ATOM 0 H THR A 36 -4.420 3.515 -5.914 1.00 0.00 H new ATOM 0 HA THR A 36 -6.285 5.824 -5.668 1.00 0.00 H new ATOM 0 HB THR A 36 -4.825 4.588 -7.992 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.367 5.469 -6.372 1.00 0.00 H new ATOM 0 HG21 THR A 36 -5.189 6.785 -9.073 1.00 0.00 H new ATOM 0 HG22 THR A 36 -6.725 5.993 -8.647 1.00 0.00 H new ATOM 0 HG23 THR A 36 -6.103 7.328 -7.647 1.00 0.00 H new ATOM 518 N SER A 37 -8.197 4.742 -6.982 1.00 0.00 N ATOM 519 CA SER A 37 -9.471 4.168 -7.387 1.00 0.00 C ATOM 520 C SER A 37 -9.390 2.731 -7.922 1.00 0.00 C ATOM 521 O SER A 37 -8.973 2.523 -9.060 1.00 0.00 O ATOM 522 CB SER A 37 -10.060 5.113 -8.440 1.00 0.00 C ATOM 523 OG SER A 37 -9.827 6.455 -8.038 1.00 0.00 O ATOM 0 H SER A 37 -8.215 5.761 -7.025 1.00 0.00 H new ATOM 0 HA SER A 37 -10.105 4.080 -6.505 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.603 4.926 -9.412 1.00 0.00 H new ATOM 0 HB3 SER A 37 -11.129 4.933 -8.551 1.00 0.00 H new ATOM 0 HG SER A 37 -10.199 7.066 -8.707 1.00 0.00 H new ATOM 529 N GLY A 38 -9.798 1.749 -7.112 1.00 0.00 N ATOM 530 CA GLY A 38 -9.847 0.344 -7.498 1.00 0.00 C ATOM 531 C GLY A 38 -8.698 -0.496 -6.939 1.00 0.00 C ATOM 532 O GLY A 38 -8.864 -1.704 -6.776 1.00 0.00 O ATOM 0 H GLY A 38 -10.108 1.916 -6.155 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.792 -0.082 -7.161 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.837 0.276 -8.586 1.00 0.00 H new ATOM 536 N GLU A 39 -7.536 0.101 -6.655 1.00 0.00 N ATOM 537 CA GLU A 39 -6.403 -0.652 -6.129 1.00 0.00 C ATOM 538 C GLU A 39 -6.745 -1.275 -4.773 1.00 0.00 C ATOM 539 O GLU A 39 -7.534 -0.722 -4.005 1.00 0.00 O ATOM 540 CB GLU A 39 -5.155 0.233 -6.030 1.00 0.00 C ATOM 541 CG GLU A 39 -4.661 0.659 -7.418 1.00 0.00 C ATOM 542 CD GLU A 39 -3.325 1.388 -7.328 1.00 0.00 C ATOM 543 OE1 GLU A 39 -3.358 2.584 -6.969 1.00 0.00 O ATOM 544 OE2 GLU A 39 -2.297 0.735 -7.608 1.00 0.00 O ATOM 0 H GLU A 39 -7.360 1.098 -6.781 1.00 0.00 H new ATOM 0 HA GLU A 39 -6.183 -1.462 -6.825 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.381 1.118 -5.435 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -4.364 -0.307 -5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -4.557 -0.219 -8.055 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -5.401 1.307 -7.887 1.00 0.00 H new ATOM 551 N ASP A 40 -6.145 -2.437 -4.491 1.00 0.00 N ATOM 552 CA ASP A 40 -6.377 -3.159 -3.249 1.00 0.00 C ATOM 553 C ASP A 40 -5.804 -2.385 -2.063 1.00 0.00 C ATOM 554 O ASP A 40 -4.824 -1.655 -2.207 1.00 0.00 O ATOM 555 CB ASP A 40 -5.776 -4.568 -3.321 1.00 0.00 C ATOM 556 CG ASP A 40 -6.413 -5.494 -2.289 1.00 0.00 C ATOM 557 OD1 ASP A 40 -7.470 -6.072 -2.627 1.00 0.00 O ATOM 558 OD2 ASP A 40 -5.832 -5.609 -1.190 1.00 0.00 O ATOM 0 H ASP A 40 -5.487 -2.897 -5.120 1.00 0.00 H new ATOM 0 HA ASP A 40 -7.453 -3.257 -3.105 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -5.922 -4.978 -4.320 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -4.700 -4.516 -3.152 1.00 0.00 H new ATOM 563 N CYS A 41 -6.411 -2.554 -0.891 1.00 0.00 N ATOM 564 CA CYS A 41 -5.996 -1.931 0.352 1.00 0.00 C ATOM 565 C CYS A 41 -6.340 -2.873 1.492 1.00 0.00 C ATOM 566 O CYS A 41 -7.027 -3.875 1.300 1.00 0.00 O ATOM 567 CB CYS A 41 -6.694 -0.588 0.558 1.00 0.00 C ATOM 568 SG CYS A 41 -8.469 -0.723 0.837 1.00 0.00 S ATOM 0 H CYS A 41 -7.232 -3.149 -0.782 1.00 0.00 H new ATOM 0 HA CYS A 41 -4.923 -1.742 0.320 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -6.240 -0.080 1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -6.520 0.039 -0.317 1.00 0.00 H new ATOM 573 N HIS A 42 -5.848 -2.551 2.684 1.00 0.00 N ATOM 574 CA HIS A 42 -6.177 -3.258 3.904 1.00 0.00 C ATOM 575 C HIS A 42 -6.317 -2.178 4.969 1.00 0.00 C ATOM 576 O HIS A 42 -5.476 -1.277 4.988 1.00 0.00 O ATOM 577 CB HIS A 42 -5.084 -4.267 4.266 1.00 0.00 C ATOM 578 CG HIS A 42 -5.503 -5.112 5.434 1.00 0.00 C ATOM 579 ND1 HIS A 42 -5.439 -4.644 6.742 1.00 0.00 N ATOM 580 CD2 HIS A 42 -6.161 -6.308 5.435 1.00 0.00 C ATOM 581 CE1 HIS A 42 -6.021 -5.593 7.481 1.00 0.00 C ATOM 582 NE2 HIS A 42 -6.479 -6.613 6.742 1.00 0.00 N ATOM 0 H HIS A 42 -5.199 -1.777 2.825 1.00 0.00 H new ATOM 0 HA HIS A 42 -7.094 -3.839 3.804 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -4.873 -4.905 3.408 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -4.161 -3.739 4.506 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -6.391 -6.908 4.567 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -6.112 -5.544 8.556 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -6.964 -7.445 7.078 1.00 0.00 H new ATOM 590 N PRO A 43 -7.330 -2.222 5.845 1.00 0.00 N ATOM 591 CA PRO A 43 -7.520 -1.196 6.860 1.00 0.00 C ATOM 592 C PRO A 43 -6.315 -1.050 7.803 1.00 0.00 C ATOM 593 O PRO A 43 -6.198 -0.026 8.470 1.00 0.00 O ATOM 594 CB PRO A 43 -8.802 -1.582 7.606 1.00 0.00 C ATOM 595 CG PRO A 43 -8.936 -3.083 7.346 1.00 0.00 C ATOM 596 CD PRO A 43 -8.381 -3.224 5.931 1.00 0.00 C ATOM 0 HA PRO A 43 -7.609 -0.212 6.400 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -8.726 -1.366 8.672 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.665 -1.032 7.230 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -8.367 -3.672 8.066 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -9.972 -3.415 7.410 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.988 -4.226 5.758 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -9.155 -3.051 5.183 1.00 0.00 H new ATOM 604 N ALA A 44 -5.405 -2.032 7.842 1.00 0.00 N ATOM 605 CA ALA A 44 -4.210 -2.002 8.674 1.00 0.00 C ATOM 606 C ALA A 44 -2.977 -1.563 7.874 1.00 0.00 C ATOM 607 O ALA A 44 -1.865 -1.642 8.391 1.00 0.00 O ATOM 608 CB ALA A 44 -3.983 -3.395 9.271 1.00 0.00 C ATOM 0 H ALA A 44 -5.486 -2.882 7.284 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.359 -1.273 9.471 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.090 -3.382 9.896 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.845 -3.676 9.876 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.852 -4.119 8.467 1.00 0.00 H new ATOM 614 N SER A 45 -3.145 -1.106 6.625 1.00 0.00 N ATOM 615 CA SER A 45 -2.043 -0.590 5.834 1.00 0.00 C ATOM 616 C SER A 45 -1.493 0.642 6.556 1.00 0.00 C ATOM 617 O SER A 45 -2.145 1.683 6.580 1.00 0.00 O ATOM 618 CB SER A 45 -2.544 -0.231 4.432 1.00 0.00 C ATOM 619 OG SER A 45 -3.049 -1.376 3.772 1.00 0.00 O ATOM 0 H SER A 45 -4.046 -1.088 6.147 1.00 0.00 H new ATOM 0 HA SER A 45 -1.253 -1.333 5.724 1.00 0.00 H new ATOM 0 HB2 SER A 45 -3.324 0.528 4.502 1.00 0.00 H new ATOM 0 HB3 SER A 45 -1.730 0.201 3.849 1.00 0.00 H new ATOM 0 HG SER A 45 -3.906 -1.632 4.171 1.00 0.00 H new ATOM 625 N HIS A 46 -0.302 0.521 7.145 1.00 0.00 N ATOM 626 CA HIS A 46 0.327 1.561 7.951 1.00 0.00 C ATOM 627 C HIS A 46 0.376 2.904 7.225 1.00 0.00 C ATOM 628 O HIS A 46 0.564 2.922 6.006 1.00 0.00 O ATOM 629 CB HIS A 46 1.751 1.134 8.322 1.00 0.00 C ATOM 630 CG HIS A 46 1.846 -0.300 8.760 1.00 0.00 C ATOM 631 ND1 HIS A 46 1.841 -1.335 7.822 1.00 0.00 N ATOM 632 CD2 HIS A 46 1.803 -0.829 10.019 1.00 0.00 C ATOM 633 CE1 HIS A 46 1.825 -2.451 8.559 1.00 0.00 C ATOM 634 NE2 HIS A 46 1.802 -2.202 9.879 1.00 0.00 N ATOM 0 H HIS A 46 0.263 -0.325 7.071 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.278 1.690 8.848 1.00 0.00 H new ATOM 0 HB2 HIS A 46 2.405 1.289 7.463 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.119 1.776 9.122 1.00 0.00 H new ATOM 0 HD2 HIS A 46 1.775 -0.278 10.947 1.00 0.00 H new ATOM 0 HE1 HIS A 46 1.830 -3.446 8.138 1.00 0.00 H new ATOM 0 HE2 HIS A 46 1.787 -2.892 10.630 1.00 0.00 H new ATOM 642 N LYS A 47 0.272 4.008 7.972 1.00 0.00 N ATOM 643 CA LYS A 47 0.312 5.363 7.424 1.00 0.00 C ATOM 644 C LYS A 47 1.577 5.598 6.591 1.00 0.00 C ATOM 645 O LYS A 47 2.494 4.780 6.613 1.00 0.00 O ATOM 646 CB LYS A 47 0.144 6.396 8.552 1.00 0.00 C ATOM 647 CG LYS A 47 1.246 6.415 9.628 1.00 0.00 C ATOM 648 CD LYS A 47 2.558 7.062 9.155 1.00 0.00 C ATOM 649 CE LYS A 47 3.457 7.414 10.343 1.00 0.00 C ATOM 650 NZ LYS A 47 4.700 8.063 9.890 1.00 0.00 N ATOM 0 H LYS A 47 0.156 3.983 8.985 1.00 0.00 H new ATOM 0 HA LYS A 47 -0.526 5.487 6.738 1.00 0.00 H new ATOM 0 HB2 LYS A 47 0.087 7.387 8.103 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -0.812 6.214 9.044 1.00 0.00 H new ATOM 0 HG2 LYS A 47 0.880 6.954 10.502 1.00 0.00 H new ATOM 0 HG3 LYS A 47 1.449 5.392 9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 47 3.083 6.380 8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 47 2.337 7.963 8.582 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.923 8.077 11.024 1.00 0.00 H new ATOM 0 HE3 LYS A 47 3.697 6.510 10.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 5.369 8.123 10.684 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 5.123 7.504 9.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 4.486 9.020 9.545 1.00 0.00 H new ATOM 664 N ILE A 48 1.644 6.704 5.847 1.00 0.00 N ATOM 665 CA ILE A 48 2.796 7.041 5.016 1.00 0.00 C ATOM 666 C ILE A 48 3.500 8.241 5.662 1.00 0.00 C ATOM 667 O ILE A 48 2.806 9.167 6.081 1.00 0.00 O ATOM 668 CB ILE A 48 2.338 7.369 3.579 1.00 0.00 C ATOM 669 CG1 ILE A 48 1.351 6.308 3.064 1.00 0.00 C ATOM 670 CG2 ILE A 48 3.551 7.470 2.642 1.00 0.00 C ATOM 671 CD1 ILE A 48 0.961 6.501 1.598 1.00 0.00 C ATOM 0 H ILE A 48 0.894 7.394 5.806 1.00 0.00 H new ATOM 0 HA ILE A 48 3.486 6.200 4.951 1.00 0.00 H new ATOM 0 HB ILE A 48 1.827 8.331 3.595 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.795 5.320 3.187 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.451 6.332 3.678 1.00 0.00 H new ATOM 0 HG21 ILE A 48 3.212 7.702 1.632 1.00 0.00 H new ATOM 0 HG22 ILE A 48 4.216 8.259 2.992 1.00 0.00 H new ATOM 0 HG23 ILE A 48 4.086 6.521 2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 48 0.263 5.718 1.301 1.00 0.00 H new ATOM 0 HD12 ILE A 48 0.488 7.475 1.472 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.853 6.447 0.974 1.00 0.00 H new ATOM 683 N PRO A 49 4.841 8.279 5.745 1.00 0.00 N ATOM 684 CA PRO A 49 5.772 7.210 5.418 1.00 0.00 C ATOM 685 C PRO A 49 5.877 6.225 6.587 1.00 0.00 C ATOM 686 O PRO A 49 6.007 6.639 7.738 1.00 0.00 O ATOM 687 CB PRO A 49 7.110 7.919 5.190 1.00 0.00 C ATOM 688 CG PRO A 49 7.046 9.112 6.145 1.00 0.00 C ATOM 689 CD PRO A 49 5.558 9.474 6.159 1.00 0.00 C ATOM 0 HA PRO A 49 5.458 6.634 4.547 1.00 0.00 H new ATOM 0 HB2 PRO A 49 7.954 7.267 5.417 1.00 0.00 H new ATOM 0 HB3 PRO A 49 7.224 8.239 4.154 1.00 0.00 H new ATOM 0 HG2 PRO A 49 7.405 8.850 7.140 1.00 0.00 H new ATOM 0 HG3 PRO A 49 7.658 9.942 5.793 1.00 0.00 H new ATOM 0 HD2 PRO A 49 5.244 9.790 7.154 1.00 0.00 H new ATOM 0 HD3 PRO A 49 5.354 10.304 5.482 1.00 0.00 H new ATOM 697 N PHE A 50 5.866 4.922 6.303 1.00 0.00 N ATOM 698 CA PHE A 50 6.025 3.891 7.316 1.00 0.00 C ATOM 699 C PHE A 50 7.479 3.446 7.288 1.00 0.00 C ATOM 700 O PHE A 50 7.893 2.707 6.396 1.00 0.00 O ATOM 701 CB PHE A 50 5.108 2.697 7.041 1.00 0.00 C ATOM 702 CG PHE A 50 5.214 1.592 8.076 1.00 0.00 C ATOM 703 CD1 PHE A 50 4.843 1.840 9.411 1.00 0.00 C ATOM 704 CD2 PHE A 50 5.679 0.316 7.710 1.00 0.00 C ATOM 705 CE1 PHE A 50 4.903 0.809 10.364 1.00 0.00 C ATOM 706 CE2 PHE A 50 5.701 -0.725 8.654 1.00 0.00 C ATOM 707 CZ PHE A 50 5.318 -0.478 9.982 1.00 0.00 C ATOM 0 H PHE A 50 5.746 4.556 5.359 1.00 0.00 H new ATOM 0 HA PHE A 50 5.754 4.289 8.294 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.076 3.045 7.000 1.00 0.00 H new ATOM 0 HB3 PHE A 50 5.346 2.287 6.060 1.00 0.00 H new ATOM 0 HD1 PHE A 50 4.511 2.825 9.704 1.00 0.00 H new ATOM 0 HD2 PHE A 50 6.020 0.136 6.701 1.00 0.00 H new ATOM 0 HE1 PHE A 50 4.630 1.006 11.390 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.013 -1.716 8.358 1.00 0.00 H new ATOM 0 HZ PHE A 50 5.342 -1.276 10.709 1.00 0.00 H new ATOM 717 N SER A 51 8.261 3.907 8.265 1.00 0.00 N ATOM 718 CA SER A 51 9.668 3.556 8.391 1.00 0.00 C ATOM 719 C SER A 51 9.807 2.127 8.927 1.00 0.00 C ATOM 720 O SER A 51 10.348 1.923 10.011 1.00 0.00 O ATOM 721 CB SER A 51 10.364 4.580 9.292 1.00 0.00 C ATOM 722 OG SER A 51 10.233 5.873 8.729 1.00 0.00 O ATOM 0 H SER A 51 7.929 4.539 8.994 1.00 0.00 H new ATOM 0 HA SER A 51 10.151 3.582 7.414 1.00 0.00 H new ATOM 0 HB2 SER A 51 9.925 4.560 10.289 1.00 0.00 H new ATOM 0 HB3 SER A 51 11.418 4.325 9.403 1.00 0.00 H new ATOM 0 HG SER A 51 10.677 6.528 9.307 1.00 0.00 H new ATOM 728 N GLY A 52 9.315 1.140 8.176 1.00 0.00 N ATOM 729 CA GLY A 52 9.359 -0.259 8.554 1.00 0.00 C ATOM 730 C GLY A 52 8.918 -1.128 7.381 1.00 0.00 C ATOM 731 O GLY A 52 8.489 -0.621 6.346 1.00 0.00 O ATOM 0 H GLY A 52 8.868 1.302 7.273 1.00 0.00 H new ATOM 0 HA2 GLY A 52 10.370 -0.531 8.859 1.00 0.00 H new ATOM 0 HA3 GLY A 52 8.709 -0.434 9.412 1.00 0.00 H new ATOM 735 N GLN A 53 9.019 -2.446 7.554 1.00 0.00 N ATOM 736 CA GLN A 53 8.666 -3.427 6.541 1.00 0.00 C ATOM 737 C GLN A 53 7.148 -3.613 6.527 1.00 0.00 C ATOM 738 O GLN A 53 6.578 -4.162 7.469 1.00 0.00 O ATOM 739 CB GLN A 53 9.376 -4.747 6.869 1.00 0.00 C ATOM 740 CG GLN A 53 10.905 -4.648 6.755 1.00 0.00 C ATOM 741 CD GLN A 53 11.403 -4.889 5.333 1.00 0.00 C ATOM 742 OE1 GLN A 53 11.641 -6.027 4.947 1.00 0.00 O ATOM 743 NE2 GLN A 53 11.572 -3.850 4.522 1.00 0.00 N ATOM 0 H GLN A 53 9.356 -2.865 8.421 1.00 0.00 H new ATOM 0 HA GLN A 53 8.980 -3.090 5.553 1.00 0.00 H new ATOM 0 HB2 GLN A 53 9.111 -5.054 7.881 1.00 0.00 H new ATOM 0 HB3 GLN A 53 9.016 -5.524 6.195 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.227 -3.661 7.087 1.00 0.00 H new ATOM 0 HG3 GLN A 53 11.364 -5.375 7.425 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.371 -2.906 4.853 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.903 -3.996 3.568 1.00 0.00 H new ATOM 752 N ARG A 54 6.479 -3.125 5.481 1.00 0.00 N ATOM 753 CA ARG A 54 5.037 -3.260 5.338 1.00 0.00 C ATOM 754 C ARG A 54 4.665 -4.736 5.193 1.00 0.00 C ATOM 755 O ARG A 54 4.947 -5.347 4.166 1.00 0.00 O ATOM 756 CB ARG A 54 4.556 -2.458 4.126 1.00 0.00 C ATOM 757 CG ARG A 54 4.695 -0.961 4.406 1.00 0.00 C ATOM 758 CD ARG A 54 4.130 -0.148 3.243 1.00 0.00 C ATOM 759 NE ARG A 54 3.998 1.272 3.597 1.00 0.00 N ATOM 760 CZ ARG A 54 2.963 1.782 4.283 1.00 0.00 C ATOM 761 NH1 ARG A 54 1.999 0.981 4.744 1.00 0.00 N ATOM 762 NH2 ARG A 54 2.885 3.085 4.526 1.00 0.00 N ATOM 0 H ARG A 54 6.926 -2.626 4.712 1.00 0.00 H new ATOM 0 HA ARG A 54 4.547 -2.866 6.229 1.00 0.00 H new ATOM 0 HB2 ARG A 54 5.139 -2.728 3.245 1.00 0.00 H new ATOM 0 HB3 ARG A 54 3.516 -2.701 3.907 1.00 0.00 H new ATOM 0 HG2 ARG A 54 4.169 -0.706 5.326 1.00 0.00 H new ATOM 0 HG3 ARG A 54 5.744 -0.709 4.559 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.782 -0.249 2.375 1.00 0.00 H new ATOM 0 HD3 ARG A 54 3.156 -0.546 2.958 1.00 0.00 H new ATOM 0 HE ARG A 54 4.738 1.909 3.303 1.00 0.00 H new ATOM 0 HH11 ARG A 54 2.047 -0.024 4.575 1.00 0.00 H new ATOM 0 HH12 ARG A 54 1.215 1.374 5.265 1.00 0.00 H new ATOM 0 HH21 ARG A 54 3.617 3.711 4.190 1.00 0.00 H new ATOM 0 HH22 ARG A 54 2.093 3.460 5.048 1.00 0.00 H new ATOM 776 N MET A 55 4.037 -5.307 6.221 1.00 0.00 N ATOM 777 CA MET A 55 3.637 -6.705 6.242 1.00 0.00 C ATOM 778 C MET A 55 2.618 -7.009 5.138 1.00 0.00 C ATOM 779 O MET A 55 2.848 -7.884 4.306 1.00 0.00 O ATOM 780 CB MET A 55 3.083 -7.053 7.630 1.00 0.00 C ATOM 781 CG MET A 55 4.172 -6.952 8.709 1.00 0.00 C ATOM 782 SD MET A 55 3.646 -7.398 10.385 1.00 0.00 S ATOM 783 CE MET A 55 2.549 -6.013 10.764 1.00 0.00 C ATOM 0 H MET A 55 3.791 -4.801 7.072 1.00 0.00 H new ATOM 0 HA MET A 55 4.509 -7.328 6.045 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.262 -6.379 7.875 1.00 0.00 H new ATOM 0 HB3 MET A 55 2.674 -8.063 7.617 1.00 0.00 H new ATOM 0 HG2 MET A 55 5.004 -7.596 8.424 1.00 0.00 H new ATOM 0 HG3 MET A 55 4.551 -5.930 8.725 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.210 -6.089 11.797 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.087 -5.075 10.627 1.00 0.00 H new ATOM 0 HE3 MET A 55 1.687 -6.038 10.097 1.00 0.00 H new ATOM 793 N HIS A 56 1.482 -6.306 5.144 1.00 0.00 N ATOM 794 CA HIS A 56 0.436 -6.509 4.151 1.00 0.00 C ATOM 795 C HIS A 56 0.918 -6.135 2.751 1.00 0.00 C ATOM 796 O HIS A 56 1.662 -5.171 2.572 1.00 0.00 O ATOM 797 CB HIS A 56 -0.806 -5.675 4.493 1.00 0.00 C ATOM 798 CG HIS A 56 -1.672 -6.266 5.570 1.00 0.00 C ATOM 799 ND1 HIS A 56 -1.594 -5.841 6.895 1.00 0.00 N ATOM 800 CD2 HIS A 56 -2.647 -7.222 5.464 1.00 0.00 C ATOM 801 CE1 HIS A 56 -2.535 -6.546 7.531 1.00 0.00 C ATOM 802 NE2 HIS A 56 -3.187 -7.394 6.721 1.00 0.00 N ATOM 0 H HIS A 56 1.267 -5.586 5.834 1.00 0.00 H new ATOM 0 HA HIS A 56 0.180 -7.568 4.165 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.487 -4.681 4.805 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.404 -5.549 3.591 1.00 0.00 H new ATOM 0 HD2 HIS A 56 -2.938 -7.744 4.564 1.00 0.00 H new ATOM 0 HE1 HIS A 56 -2.748 -6.444 8.585 1.00 0.00 H new ATOM 0 HE2 HIS A 56 -3.934 -8.038 6.983 1.00 0.00 H new ATOM 810 N HIS A 57 0.426 -6.859 1.742 1.00 0.00 N ATOM 811 CA HIS A 57 0.723 -6.604 0.337 1.00 0.00 C ATOM 812 C HIS A 57 -0.113 -5.419 -0.175 1.00 0.00 C ATOM 813 O HIS A 57 -0.770 -5.513 -1.211 1.00 0.00 O ATOM 814 CB HIS A 57 0.489 -7.889 -0.469 1.00 0.00 C ATOM 815 CG HIS A 57 1.373 -7.870 -1.677 1.00 0.00 C ATOM 816 ND1 HIS A 57 1.620 -6.664 -2.324 1.00 0.00 N ATOM 817 CD2 HIS A 57 2.275 -8.803 -2.113 1.00 0.00 C ATOM 818 CE1 HIS A 57 2.698 -6.892 -3.054 1.00 0.00 C ATOM 819 NE2 HIS A 57 3.147 -8.142 -2.945 1.00 0.00 N ATOM 0 H HIS A 57 -0.200 -7.651 1.885 1.00 0.00 H new ATOM 0 HA HIS A 57 1.769 -6.323 0.215 1.00 0.00 H new ATOM 0 HB2 HIS A 57 0.707 -8.764 0.144 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -0.557 -7.962 -0.768 1.00 0.00 H new ATOM 0 HD1 HIS A 57 1.088 -5.797 -2.251 1.00 0.00 H new ATOM 0 HD2 HIS A 57 2.297 -9.851 -1.854 1.00 0.00 H new ATOM 0 HE1 HIS A 57 3.167 -6.143 -3.675 1.00 0.00 H new ATOM 827 N THR A 58 -0.181 -4.331 0.598 1.00 0.00 N ATOM 828 CA THR A 58 -0.981 -3.166 0.259 1.00 0.00 C ATOM 829 C THR A 58 -0.310 -1.850 0.651 1.00 0.00 C ATOM 830 O THR A 58 0.667 -1.830 1.399 1.00 0.00 O ATOM 831 CB THR A 58 -2.370 -3.307 0.902 1.00 0.00 C ATOM 832 OG1 THR A 58 -2.283 -3.594 2.285 1.00 0.00 O ATOM 833 CG2 THR A 58 -3.191 -4.407 0.217 1.00 0.00 C ATOM 0 H THR A 58 0.323 -4.240 1.480 1.00 0.00 H new ATOM 0 HA THR A 58 -1.084 -3.127 -0.825 1.00 0.00 H new ATOM 0 HB THR A 58 -2.869 -2.347 0.772 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.553 -2.805 2.800 1.00 0.00 H new ATOM 0 HG21 THR A 58 -4.168 -4.482 0.694 1.00 0.00 H new ATOM 0 HG22 THR A 58 -3.320 -4.162 -0.837 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.669 -5.360 0.306 1.00 0.00 H new ATOM 841 N CYS A 59 -0.880 -0.744 0.159 1.00 0.00 N ATOM 842 CA CYS A 59 -0.526 0.621 0.515 1.00 0.00 C ATOM 843 C CYS A 59 -1.810 1.327 0.935 1.00 0.00 C ATOM 844 O CYS A 59 -2.884 0.907 0.502 1.00 0.00 O ATOM 845 CB CYS A 59 0.045 1.379 -0.687 1.00 0.00 C ATOM 846 SG CYS A 59 1.720 0.938 -1.157 1.00 0.00 S ATOM 0 H CYS A 59 -1.633 -0.786 -0.528 1.00 0.00 H new ATOM 0 HA CYS A 59 0.223 0.600 1.307 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -0.609 1.213 -1.543 1.00 0.00 H new ATOM 0 HB3 CYS A 59 0.017 2.446 -0.467 1.00 0.00 H new ATOM 851 N PRO A 60 -1.736 2.377 1.769 1.00 0.00 N ATOM 852 CA PRO A 60 -2.910 3.160 2.106 1.00 0.00 C ATOM 853 C PRO A 60 -3.496 3.803 0.854 1.00 0.00 C ATOM 854 O PRO A 60 -2.843 3.898 -0.187 1.00 0.00 O ATOM 855 CB PRO A 60 -2.451 4.240 3.083 1.00 0.00 C ATOM 856 CG PRO A 60 -1.199 3.625 3.686 1.00 0.00 C ATOM 857 CD PRO A 60 -0.587 2.852 2.519 1.00 0.00 C ATOM 0 HA PRO A 60 -3.684 2.531 2.547 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -2.238 5.181 2.577 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -3.206 4.450 3.841 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -0.518 4.388 4.064 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.437 2.968 4.523 1.00 0.00 H new ATOM 0 HD2 PRO A 60 0.051 3.491 1.909 1.00 0.00 H new ATOM 0 HD3 PRO A 60 0.031 2.025 2.869 1.00 0.00 H new ATOM 865 N CYS A 61 -4.728 4.279 0.987 1.00 0.00 N ATOM 866 CA CYS A 61 -5.446 4.905 -0.109 1.00 0.00 C ATOM 867 C CYS A 61 -4.971 6.344 -0.295 1.00 0.00 C ATOM 868 O CYS A 61 -4.586 7.001 0.672 1.00 0.00 O ATOM 869 CB CYS A 61 -6.955 4.812 0.127 1.00 0.00 C ATOM 870 SG CYS A 61 -7.634 3.135 0.133 1.00 0.00 S ATOM 0 H CYS A 61 -5.255 4.240 1.859 1.00 0.00 H new ATOM 0 HA CYS A 61 -5.233 4.374 -1.037 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -7.187 5.284 1.082 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -7.463 5.389 -0.645 1.00 0.00 H new ATOM 875 N ALA A 62 -4.973 6.835 -1.537 1.00 0.00 N ATOM 876 CA ALA A 62 -4.557 8.194 -1.839 1.00 0.00 C ATOM 877 C ALA A 62 -5.502 9.157 -1.110 1.00 0.00 C ATOM 878 O ALA A 62 -6.711 8.940 -1.201 1.00 0.00 O ATOM 879 CB ALA A 62 -4.601 8.416 -3.352 1.00 0.00 C ATOM 0 H ALA A 62 -5.263 6.298 -2.354 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.535 8.372 -1.504 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -4.289 9.435 -3.579 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.928 7.713 -3.843 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -5.617 8.258 -3.713 1.00 0.00 H new ATOM 885 N PRO A 63 -4.995 10.176 -0.388 1.00 0.00 N ATOM 886 CA PRO A 63 -5.783 11.161 0.359 1.00 0.00 C ATOM 887 C PRO A 63 -6.916 11.810 -0.441 1.00 0.00 C ATOM 888 O PRO A 63 -6.794 12.921 -0.948 1.00 0.00 O ATOM 889 CB PRO A 63 -4.777 12.186 0.882 1.00 0.00 C ATOM 890 CG PRO A 63 -3.572 11.292 1.134 1.00 0.00 C ATOM 891 CD PRO A 63 -3.583 10.370 -0.082 1.00 0.00 C ATOM 0 HA PRO A 63 -6.318 10.665 1.169 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -4.567 12.969 0.153 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -5.123 12.680 1.790 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.648 11.866 1.199 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -3.668 10.735 2.066 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -3.054 10.818 -0.923 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -3.091 9.422 0.136 1.00 0.00 H new ATOM 899 N ASN A 64 -8.026 11.081 -0.503 1.00 0.00 N ATOM 900 CA ASN A 64 -9.270 11.361 -1.216 1.00 0.00 C ATOM 901 C ASN A 64 -10.117 10.085 -1.190 1.00 0.00 C ATOM 902 O ASN A 64 -11.298 10.112 -0.853 1.00 0.00 O ATOM 903 CB ASN A 64 -9.000 11.789 -2.668 1.00 0.00 C ATOM 904 CG ASN A 64 -10.285 11.918 -3.475 1.00 0.00 C ATOM 905 OD1 ASN A 64 -11.295 12.409 -2.986 1.00 0.00 O ATOM 906 ND2 ASN A 64 -10.260 11.478 -4.729 1.00 0.00 N ATOM 0 H ASN A 64 -8.083 10.192 -0.007 1.00 0.00 H new ATOM 0 HA ASN A 64 -9.793 12.185 -0.731 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -8.472 12.743 -2.672 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -8.345 11.060 -3.145 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -11.096 11.545 -5.310 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -9.405 11.073 -5.111 1.00 0.00 H new ATOM 913 N LEU A 65 -9.499 8.954 -1.538 1.00 0.00 N ATOM 914 CA LEU A 65 -10.133 7.647 -1.507 1.00 0.00 C ATOM 915 C LEU A 65 -10.240 7.164 -0.053 1.00 0.00 C ATOM 916 O LEU A 65 -9.648 7.748 0.855 1.00 0.00 O ATOM 917 CB LEU A 65 -9.276 6.657 -2.311 1.00 0.00 C ATOM 918 CG LEU A 65 -9.252 6.797 -3.839 1.00 0.00 C ATOM 919 CD1 LEU A 65 -10.604 6.452 -4.464 1.00 0.00 C ATOM 920 CD2 LEU A 65 -8.763 8.164 -4.316 1.00 0.00 C ATOM 0 H LEU A 65 -8.529 8.927 -1.853 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.131 7.711 -1.941 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.250 6.737 -1.953 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.619 5.650 -2.074 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.520 6.068 -4.186 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -10.544 6.564 -5.547 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.866 5.422 -4.220 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.368 7.123 -4.072 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -8.771 8.194 -5.406 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -9.420 8.942 -3.927 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.748 8.333 -3.956 1.00 0.00 H new ATOM 932 N ALA A 66 -10.980 6.074 0.155 1.00 0.00 N ATOM 933 CA ALA A 66 -11.198 5.404 1.425 1.00 0.00 C ATOM 934 C ALA A 66 -11.076 3.899 1.191 1.00 0.00 C ATOM 935 O ALA A 66 -11.452 3.407 0.125 1.00 0.00 O ATOM 936 CB ALA A 66 -12.591 5.756 1.950 1.00 0.00 C ATOM 0 H ALA A 66 -11.471 5.612 -0.610 1.00 0.00 H new ATOM 0 HA ALA A 66 -10.463 5.721 2.164 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -12.758 5.255 2.903 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -12.666 6.834 2.089 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -13.344 5.430 1.232 1.00 0.00 H new ATOM 942 N CYS A 67 -10.539 3.171 2.174 1.00 0.00 N ATOM 943 CA CYS A 67 -10.344 1.730 2.083 1.00 0.00 C ATOM 944 C CYS A 67 -11.648 1.011 2.440 1.00 0.00 C ATOM 945 O CYS A 67 -11.942 0.840 3.621 1.00 0.00 O ATOM 946 CB CYS A 67 -9.193 1.305 3.012 1.00 0.00 C ATOM 947 SG CYS A 67 -8.763 -0.442 2.877 1.00 0.00 S ATOM 0 H CYS A 67 -10.227 3.572 3.059 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.075 1.454 1.063 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -8.313 1.906 2.784 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.470 1.524 4.043 1.00 0.00 H new ATOM 952 N VAL A 68 -12.443 0.609 1.441 1.00 0.00 N ATOM 953 CA VAL A 68 -13.736 -0.046 1.650 1.00 0.00 C ATOM 954 C VAL A 68 -13.566 -1.555 1.479 1.00 0.00 C ATOM 955 O VAL A 68 -12.732 -1.998 0.697 1.00 0.00 O ATOM 956 CB VAL A 68 -14.789 0.501 0.670 1.00 0.00 C ATOM 957 CG1 VAL A 68 -16.206 0.052 1.057 1.00 0.00 C ATOM 958 CG2 VAL A 68 -14.765 2.036 0.611 1.00 0.00 C ATOM 0 H VAL A 68 -12.203 0.731 0.457 1.00 0.00 H new ATOM 0 HA VAL A 68 -14.087 0.163 2.660 1.00 0.00 H new ATOM 0 HB VAL A 68 -14.533 0.096 -0.309 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -16.924 0.457 0.343 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -16.258 -1.037 1.046 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -16.443 0.417 2.056 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -15.522 2.385 -0.091 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -14.974 2.441 1.601 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -13.782 2.372 0.281 1.00 0.00 H new ATOM 968 N GLN A 69 -14.348 -2.357 2.199 1.00 0.00 N ATOM 969 CA GLN A 69 -14.247 -3.807 2.152 1.00 0.00 C ATOM 970 C GLN A 69 -14.975 -4.366 0.927 1.00 0.00 C ATOM 971 O GLN A 69 -16.040 -3.867 0.572 1.00 0.00 O ATOM 972 CB GLN A 69 -14.702 -4.369 3.505 1.00 0.00 C ATOM 973 CG GLN A 69 -16.209 -4.590 3.645 1.00 0.00 C ATOM 974 CD GLN A 69 -16.731 -5.836 2.928 1.00 0.00 C ATOM 975 OE1 GLN A 69 -15.881 -6.829 2.677 1.00 0.00 O flip ATOM 976 NE2 GLN A 69 -17.901 -5.900 2.570 1.00 0.00 N flip ATOM 0 H GLN A 69 -15.071 -2.014 2.832 1.00 0.00 H new ATOM 0 HA GLN A 69 -13.216 -4.132 2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -14.194 -5.318 3.675 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -14.376 -3.688 4.291 1.00 0.00 H new ATOM 0 HG2 GLN A 69 -16.457 -4.664 4.704 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -16.730 -3.716 3.256 1.00 0.00 H new ATOM 0 HE21 GLN A 69 -18.539 -5.130 2.771 1.00 0.00 H new ATOM 0 HE22 GLN A 69 -18.237 -6.724 2.071 1.00 0.00 H new ATOM 985 N THR A 70 -14.397 -5.387 0.287 1.00 0.00 N ATOM 986 CA THR A 70 -15.003 -6.100 -0.836 1.00 0.00 C ATOM 987 C THR A 70 -15.251 -7.557 -0.429 1.00 0.00 C ATOM 988 O THR A 70 -16.274 -8.141 -0.781 1.00 0.00 O ATOM 989 CB THR A 70 -14.172 -5.938 -2.118 1.00 0.00 C ATOM 990 OG1 THR A 70 -12.861 -6.445 -1.985 1.00 0.00 O ATOM 991 CG2 THR A 70 -14.087 -4.459 -2.513 1.00 0.00 C ATOM 0 H THR A 70 -13.477 -5.746 0.542 1.00 0.00 H new ATOM 0 HA THR A 70 -15.972 -5.664 -1.079 1.00 0.00 H new ATOM 0 HB THR A 70 -14.682 -6.514 -2.890 1.00 0.00 H new ATOM 0 HG1 THR A 70 -12.661 -6.590 -1.037 1.00 0.00 H new ATOM 0 HG21 THR A 70 -13.495 -4.359 -3.423 1.00 0.00 H new ATOM 0 HG22 THR A 70 -15.090 -4.071 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 70 -13.615 -3.894 -1.709 1.00 0.00 H new ATOM 999 N SER A 71 -14.337 -8.162 0.334 1.00 0.00 N ATOM 1000 CA SER A 71 -14.507 -9.484 0.928 1.00 0.00 C ATOM 1001 C SER A 71 -13.644 -9.509 2.197 1.00 0.00 C ATOM 1002 O SER A 71 -12.965 -8.516 2.466 1.00 0.00 O ATOM 1003 CB SER A 71 -14.123 -10.584 -0.075 1.00 0.00 C ATOM 1004 OG SER A 71 -14.525 -10.246 -1.389 1.00 0.00 O ATOM 0 H SER A 71 -13.439 -7.734 0.559 1.00 0.00 H new ATOM 0 HA SER A 71 -15.547 -9.679 1.189 1.00 0.00 H new ATOM 0 HB2 SER A 71 -13.044 -10.740 -0.051 1.00 0.00 H new ATOM 0 HB3 SER A 71 -14.588 -11.525 0.219 1.00 0.00 H new ATOM 0 HG SER A 71 -14.266 -10.963 -2.005 1.00 0.00 H new ATOM 1010 N PRO A 72 -13.668 -10.579 3.009 1.00 0.00 N ATOM 1011 CA PRO A 72 -12.801 -10.679 4.174 1.00 0.00 C ATOM 1012 C PRO A 72 -11.350 -10.461 3.737 1.00 0.00 C ATOM 1013 O PRO A 72 -10.923 -11.054 2.747 1.00 0.00 O ATOM 1014 CB PRO A 72 -13.035 -12.082 4.740 1.00 0.00 C ATOM 1015 CG PRO A 72 -14.469 -12.388 4.305 1.00 0.00 C ATOM 1016 CD PRO A 72 -14.540 -11.737 2.924 1.00 0.00 C ATOM 0 HA PRO A 72 -13.013 -9.929 4.936 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.327 -12.805 4.335 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -12.928 -12.104 5.825 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -14.659 -13.460 4.259 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.201 -11.964 4.992 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -14.208 -12.425 2.146 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -15.561 -11.445 2.677 1.00 0.00 H new ATOM 1024 N LYS A 73 -10.624 -9.561 4.411 1.00 0.00 N ATOM 1025 CA LYS A 73 -9.249 -9.169 4.105 1.00 0.00 C ATOM 1026 C LYS A 73 -9.159 -8.309 2.833 1.00 0.00 C ATOM 1027 O LYS A 73 -8.429 -7.319 2.816 1.00 0.00 O ATOM 1028 CB LYS A 73 -8.315 -10.389 4.060 1.00 0.00 C ATOM 1029 CG LYS A 73 -6.849 -9.960 4.195 1.00 0.00 C ATOM 1030 CD LYS A 73 -5.926 -11.182 4.129 1.00 0.00 C ATOM 1031 CE LYS A 73 -4.460 -10.753 4.258 1.00 0.00 C ATOM 1032 NZ LYS A 73 -3.555 -11.914 4.192 1.00 0.00 N ATOM 0 H LYS A 73 -10.999 -9.066 5.220 1.00 0.00 H new ATOM 0 HA LYS A 73 -8.903 -8.535 4.921 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -8.572 -11.079 4.864 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -8.456 -10.926 3.122 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -6.594 -9.260 3.399 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -6.702 -9.436 5.140 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -6.179 -11.880 4.927 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -6.076 -11.708 3.186 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -4.213 -10.051 3.462 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -4.314 -10.229 5.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -2.570 -11.592 4.282 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -3.777 -12.571 4.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -3.679 -12.399 3.280 1.00 0.00 H new ATOM 1046 N LYS A 74 -9.887 -8.669 1.775 1.00 0.00 N ATOM 1047 CA LYS A 74 -9.901 -7.949 0.515 1.00 0.00 C ATOM 1048 C LYS A 74 -10.656 -6.625 0.645 1.00 0.00 C ATOM 1049 O LYS A 74 -11.886 -6.595 0.543 1.00 0.00 O ATOM 1050 CB LYS A 74 -10.563 -8.796 -0.578 1.00 0.00 C ATOM 1051 CG LYS A 74 -9.946 -10.187 -0.748 1.00 0.00 C ATOM 1052 CD LYS A 74 -10.625 -10.856 -1.948 1.00 0.00 C ATOM 1053 CE LYS A 74 -10.287 -12.350 -1.996 1.00 0.00 C ATOM 1054 NZ LYS A 74 -10.956 -13.012 -3.130 1.00 0.00 N ATOM 0 H LYS A 74 -10.494 -9.488 1.777 1.00 0.00 H new ATOM 0 HA LYS A 74 -8.866 -7.742 0.243 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -11.622 -8.906 -0.346 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -10.498 -8.262 -1.526 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.871 -10.111 -0.911 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -10.091 -10.782 0.154 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.705 -10.724 -1.882 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.301 -10.375 -2.871 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -9.208 -12.479 -2.081 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -10.592 -12.825 -1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -10.709 -14.022 -3.137 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -11.986 -12.908 -3.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -10.646 -12.573 -4.020 1.00 0.00 H new ATOM 1068 N PHE A 75 -9.935 -5.525 0.852 1.00 0.00 N ATOM 1069 CA PHE A 75 -10.505 -4.188 0.816 1.00 0.00 C ATOM 1070 C PHE A 75 -9.910 -3.504 -0.419 1.00 0.00 C ATOM 1071 O PHE A 75 -8.863 -3.921 -0.914 1.00 0.00 O ATOM 1072 CB PHE A 75 -10.220 -3.404 2.108 1.00 0.00 C ATOM 1073 CG PHE A 75 -10.961 -3.787 3.382 1.00 0.00 C ATOM 1074 CD1 PHE A 75 -10.897 -5.097 3.894 1.00 0.00 C ATOM 1075 CD2 PHE A 75 -11.548 -2.774 4.169 1.00 0.00 C ATOM 1076 CE1 PHE A 75 -11.496 -5.412 5.125 1.00 0.00 C ATOM 1077 CE2 PHE A 75 -12.112 -3.080 5.419 1.00 0.00 C ATOM 1078 CZ PHE A 75 -12.111 -4.404 5.887 1.00 0.00 C ATOM 0 H PHE A 75 -8.935 -5.541 1.050 1.00 0.00 H new ATOM 0 HA PHE A 75 -11.592 -4.229 0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -9.152 -3.483 2.312 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -10.430 -2.353 1.908 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -10.383 -5.866 3.336 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -11.564 -1.756 3.808 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -11.484 -6.430 5.486 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -12.547 -2.296 6.021 1.00 0.00 H new ATOM 0 HZ PHE A 75 -12.581 -4.647 6.829 1.00 0.00 H new ATOM 1088 N LYS A 76 -10.583 -2.484 -0.954 1.00 0.00 N ATOM 1089 CA LYS A 76 -10.131 -1.731 -2.114 1.00 0.00 C ATOM 1090 C LYS A 76 -10.388 -0.243 -1.893 1.00 0.00 C ATOM 1091 O LYS A 76 -11.259 0.145 -1.110 1.00 0.00 O ATOM 1092 CB LYS A 76 -10.790 -2.236 -3.407 1.00 0.00 C ATOM 1093 CG LYS A 76 -10.571 -3.742 -3.592 1.00 0.00 C ATOM 1094 CD LYS A 76 -10.914 -4.169 -5.021 1.00 0.00 C ATOM 1095 CE LYS A 76 -10.798 -5.691 -5.175 1.00 0.00 C ATOM 1096 NZ LYS A 76 -9.420 -6.167 -4.948 1.00 0.00 N ATOM 0 H LYS A 76 -11.474 -2.156 -0.582 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.058 -1.883 -2.233 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -11.859 -2.022 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -10.378 -1.699 -4.261 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -9.533 -3.993 -3.372 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -11.190 -4.294 -2.884 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.926 -3.850 -5.268 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -10.243 -3.675 -5.724 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -11.471 -6.179 -4.470 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.121 -5.980 -6.175 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.356 -7.176 -5.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -8.763 -5.624 -5.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.168 -6.037 -3.947 1.00 0.00 H new ATOM 1110 N CYS A 77 -9.595 0.588 -2.566 1.00 0.00 N ATOM 1111 CA CYS A 77 -9.675 2.033 -2.451 1.00 0.00 C ATOM 1112 C CYS A 77 -10.818 2.540 -3.316 1.00 0.00 C ATOM 1113 O CYS A 77 -10.735 2.472 -4.543 1.00 0.00 O ATOM 1114 CB CYS A 77 -8.342 2.674 -2.840 1.00 0.00 C ATOM 1115 SG CYS A 77 -7.013 2.306 -1.677 1.00 0.00 S ATOM 0 H CYS A 77 -8.873 0.269 -3.212 1.00 0.00 H new ATOM 0 HA CYS A 77 -9.876 2.311 -1.416 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -8.055 2.327 -3.832 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -8.471 3.754 -2.905 1.00 0.00 H new ATOM 1120 N LEU A 78 -11.882 3.032 -2.681 1.00 0.00 N ATOM 1121 CA LEU A 78 -13.062 3.567 -3.346 1.00 0.00 C ATOM 1122 C LEU A 78 -13.321 4.982 -2.839 1.00 0.00 C ATOM 1123 O LEU A 78 -12.579 5.498 -2.008 1.00 0.00 O ATOM 1124 CB LEU A 78 -14.268 2.650 -3.079 1.00 0.00 C ATOM 1125 CG LEU A 78 -15.130 2.412 -4.329 1.00 0.00 C ATOM 1126 CD1 LEU A 78 -14.445 1.431 -5.290 1.00 0.00 C ATOM 1127 CD2 LEU A 78 -16.490 1.845 -3.907 1.00 0.00 C ATOM 0 H LEU A 78 -11.945 3.069 -1.664 1.00 0.00 H new ATOM 0 HA LEU A 78 -12.901 3.607 -4.423 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -13.912 1.691 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -14.886 3.090 -2.297 1.00 0.00 H new ATOM 0 HG LEU A 78 -15.264 3.363 -4.844 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -15.076 1.280 -6.166 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -13.483 1.838 -5.601 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -14.289 0.477 -4.786 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -17.104 1.675 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -16.343 0.902 -3.380 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -16.991 2.554 -3.248 1.00 0.00 H new ATOM 1139 N SER A 79 -14.363 5.625 -3.357 1.00 0.00 N ATOM 1140 CA SER A 79 -14.750 6.965 -2.949 1.00 0.00 C ATOM 1141 C SER A 79 -15.426 6.937 -1.573 1.00 0.00 C ATOM 1142 O SER A 79 -15.628 5.872 -0.989 1.00 0.00 O ATOM 1143 CB SER A 79 -15.700 7.533 -4.010 1.00 0.00 C ATOM 1144 OG SER A 79 -15.196 7.244 -5.302 1.00 0.00 O ATOM 0 H SER A 79 -14.965 5.225 -4.077 1.00 0.00 H new ATOM 0 HA SER A 79 -13.867 7.599 -2.865 1.00 0.00 H new ATOM 0 HB2 SER A 79 -16.694 7.101 -3.891 1.00 0.00 H new ATOM 0 HB3 SER A 79 -15.803 8.610 -3.881 1.00 0.00 H new ATOM 0 HG SER A 79 -15.805 7.606 -5.979 1.00 0.00 H new ATOM 1150 N LYS A 80 -15.792 8.116 -1.078 1.00 0.00 N ATOM 1151 CA LYS A 80 -16.544 8.349 0.136 1.00 0.00 C ATOM 1152 C LYS A 80 -17.227 9.698 -0.090 1.00 0.00 C ATOM 1153 O LYS A 80 -16.800 10.366 -1.064 1.00 0.00 O ATOM 1154 CB LYS A 80 -15.640 8.353 1.378 1.00 0.00 C ATOM 1155 CG LYS A 80 -14.447 9.316 1.275 1.00 0.00 C ATOM 1156 CD LYS A 80 -13.877 9.571 2.679 1.00 0.00 C ATOM 1157 CE LYS A 80 -12.644 10.482 2.655 1.00 0.00 C ATOM 1158 NZ LYS A 80 -11.503 9.854 1.966 1.00 0.00 N ATOM 1159 OXT LYS A 80 -18.137 10.032 0.696 1.00 0.00 O ATOM 0 H LYS A 80 -15.552 8.987 -1.551 1.00 0.00 H new ATOM 0 HA LYS A 80 -17.267 7.557 0.331 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.237 8.621 2.249 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.266 7.343 1.547 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.678 8.892 0.629 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -14.762 10.256 0.822 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -14.647 10.024 3.304 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -13.612 8.619 3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -12.896 11.419 2.158 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -12.358 10.730 3.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -10.615 10.255 2.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -11.515 8.828 2.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -11.572 10.035 0.944 1.00 0.00 H new TER 1173 LYS A 80