USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 862 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 39 ASN : amide:sc= -3.21 K(o=-3.5,f=-10!) USER MOD Set 1.2: A 42 GLN : amide:sc= -0.299 K(o=-3.5,f=-5) USER MOD Single : A 4 ASN : amide:sc= 0.921 K(o=0.92,f=0.22) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 CYS SG : rot -13:sc= 1.04 USER MOD Single : A 10 THR OG1 : rot -45:sc= 0.238 USER MOD Single : A 13 GLN :FLIP amide:sc= -0.426! C(o=-4.2!,f=-0.43!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.0682 USER MOD Single : A 34 SER OG : rot 61:sc= 0.0157 USER MOD Single : A 37 CYS SG : rot -140:sc= -1.63 USER MOD Single : A 44 GLN :FLIP amide:sc= -0.111 F(o=-2.3,f=-0.11) USER MOD Single : A 47 MET CE :methyl -167:sc= -0.111 (180deg=-0.396) USER MOD Single : A 53 GLN :FLIP amide:sc= -1.82 F(o=-4.5!,f=-1.8) USER MOD Single : A 54 TYR OH : rot -90:sc= -0.267 USER MOD Single : A 60 ASN : amide:sc= -1.85 K(o=-1.8,f=-4.9!) USER MOD Single : A 61 HIS : no HD1:sc= 0 X(o=0,f=-0.0023) USER MOD Single : A 69 LYS NZ :NH3+ -152:sc= 1.58 (180deg=0.931) USER MOD Single : A 71 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.021) USER MOD Single : A 74 SER OG : rot 22:sc= 1.18 USER MOD Single : A 79 GLN : amide:sc= -6.92! C(o=-6.9!,f=-8.6!) USER MOD Single : A 81 HIS :FLIP no HD1:sc= -0.0841 F(o=-1.1,f=-0.084) USER MOD Single : A 83 ASN : amide:sc= 0.821 K(o=0.82,f=-7.8!) USER MOD Single : A 86 GLN :FLIP amide:sc= -0.319 F(o=-2.6,f=-0.32) USER MOD Single : A 88 TYR OH : rot 146:sc= 0.0908 USER MOD Single : A 91 THR OG1 : rot 70:sc= 1.19 USER MOD Single : A 99 HIS :FLIP no HD1:sc= -0.172 F(o=-0.95,f=-0.17) USER MOD Single : A 104 LYS NZ :NH3+ -161:sc= -0.0126 (180deg=-0.348) USER MOD Single : A 118 GLN :FLIP amide:sc= 0 F(o=-0.86,f=0) USER MOD Single : A 119 HIS : no HE2:sc= 1.18 K(o=1.2,f=-4.6!) USER MOD Single : A 122 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 42 N ASN A 4 -6.978 9.136 -6.806 1.00 0.00 N ATOM 43 CA ASN A 4 -8.365 8.915 -6.445 1.00 0.00 C ATOM 44 C ASN A 4 -8.277 8.201 -5.115 1.00 0.00 C ATOM 45 O ASN A 4 -9.163 7.498 -4.677 1.00 0.00 O ATOM 46 CB ASN A 4 -9.115 8.056 -7.497 1.00 0.00 C ATOM 47 CG ASN A 4 -8.594 6.641 -7.622 1.00 0.00 C ATOM 48 OD1 ASN A 4 -7.409 6.357 -7.440 1.00 0.00 O ATOM 49 ND2 ASN A 4 -9.473 5.744 -7.941 1.00 0.00 N ATOM 0 HA ASN A 4 -8.931 9.845 -6.394 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -10.172 8.021 -7.235 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -9.043 8.546 -8.468 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -9.191 4.770 -8.048 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -10.447 6.012 -8.085 1.00 0.00 H new ATOM 56 N LYS A 5 -7.139 8.461 -4.500 1.00 0.00 N ATOM 57 CA LYS A 5 -6.658 7.915 -3.272 1.00 0.00 C ATOM 58 C LYS A 5 -7.696 8.029 -2.163 1.00 0.00 C ATOM 59 O LYS A 5 -7.926 9.114 -1.609 1.00 0.00 O ATOM 60 CB LYS A 5 -5.402 8.703 -2.935 1.00 0.00 C ATOM 61 CG LYS A 5 -4.632 8.261 -1.726 1.00 0.00 C ATOM 62 CD LYS A 5 -3.397 9.138 -1.541 1.00 0.00 C ATOM 63 CE LYS A 5 -3.769 10.584 -1.212 1.00 0.00 C ATOM 64 NZ LYS A 5 -2.607 11.488 -1.250 1.00 0.00 N ATOM 0 H LYS A 5 -6.474 9.125 -4.897 1.00 0.00 H new ATOM 0 HA LYS A 5 -6.448 6.850 -3.370 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -4.735 8.664 -3.796 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -5.683 9.747 -2.796 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -5.265 8.320 -0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -4.334 7.218 -1.836 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -2.779 8.731 -0.741 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -2.796 9.116 -2.450 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -4.520 10.933 -1.921 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -4.223 10.623 -0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -2.912 12.455 -1.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -1.900 11.174 -0.555 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -2.187 11.474 -2.202 1.00 0.00 H new ATOM 78 N VAL A 6 -8.356 6.935 -1.897 1.00 0.00 N ATOM 79 CA VAL A 6 -9.357 6.881 -0.887 1.00 0.00 C ATOM 80 C VAL A 6 -8.808 6.266 0.402 1.00 0.00 C ATOM 81 O VAL A 6 -8.582 5.066 0.503 1.00 0.00 O ATOM 82 CB VAL A 6 -10.648 6.145 -1.393 1.00 0.00 C ATOM 83 CG1 VAL A 6 -10.367 4.724 -1.894 1.00 0.00 C ATOM 84 CG2 VAL A 6 -11.741 6.147 -0.339 1.00 0.00 C ATOM 0 H VAL A 6 -8.207 6.052 -2.385 1.00 0.00 H new ATOM 0 HA VAL A 6 -9.652 7.904 -0.654 1.00 0.00 H new ATOM 0 HB VAL A 6 -11.004 6.714 -2.252 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -11.297 4.266 -2.231 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -9.661 4.764 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -9.942 4.130 -1.085 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -12.619 5.629 -0.724 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -11.384 5.639 0.557 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -12.006 7.175 -0.091 1.00 0.00 H new ATOM 94 N CYS A 7 -8.541 7.111 1.342 1.00 0.00 N ATOM 95 CA CYS A 7 -8.097 6.709 2.642 1.00 0.00 C ATOM 96 C CYS A 7 -9.335 6.560 3.518 1.00 0.00 C ATOM 97 O CYS A 7 -10.405 6.979 3.076 1.00 0.00 O ATOM 98 CB CYS A 7 -7.108 7.730 3.199 1.00 0.00 C ATOM 99 SG CYS A 7 -5.642 7.935 2.149 1.00 0.00 S ATOM 0 H CYS A 7 -8.626 8.121 1.229 1.00 0.00 H new ATOM 0 HA CYS A 7 -7.567 5.757 2.607 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -7.609 8.692 3.308 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -6.795 7.419 4.196 1.00 0.00 H new ATOM 0 HG CYS A 7 -5.599 6.977 1.271 1.00 0.00 H new ATOM 105 N GLY A 8 -9.176 5.958 4.722 1.00 0.00 N ATOM 106 CA GLY A 8 -10.269 5.605 5.662 1.00 0.00 C ATOM 107 C GLY A 8 -11.651 6.082 5.310 1.00 0.00 C ATOM 108 O GLY A 8 -11.974 7.261 5.437 1.00 0.00 O ATOM 0 H GLY A 8 -8.256 5.697 5.077 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -10.299 4.519 5.755 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -10.013 6.002 6.644 1.00 0.00 H new ATOM 112 N LEU A 9 -12.458 5.170 4.887 1.00 0.00 N ATOM 113 CA LEU A 9 -13.792 5.462 4.503 1.00 0.00 C ATOM 114 C LEU A 9 -14.655 4.463 5.215 1.00 0.00 C ATOM 115 O LEU A 9 -14.224 3.325 5.423 1.00 0.00 O ATOM 116 CB LEU A 9 -13.935 5.312 2.977 1.00 0.00 C ATOM 117 CG LEU A 9 -14.591 6.482 2.223 1.00 0.00 C ATOM 118 CD1 LEU A 9 -15.999 6.732 2.704 1.00 0.00 C ATOM 119 CD2 LEU A 9 -13.754 7.744 2.344 1.00 0.00 C ATOM 0 H LEU A 9 -12.203 4.186 4.798 1.00 0.00 H new ATOM 0 HA LEU A 9 -14.078 6.482 4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.942 5.151 2.557 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.515 4.411 2.777 1.00 0.00 H new ATOM 0 HG LEU A 9 -14.643 6.202 1.171 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -16.431 7.565 2.149 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -16.602 5.838 2.544 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -15.983 6.973 3.767 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -14.239 8.556 1.802 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -13.656 8.016 3.395 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -12.765 7.567 1.922 1.00 0.00 H new ATOM 131 N THR A 10 -15.831 4.853 5.607 1.00 0.00 N ATOM 132 CA THR A 10 -16.681 3.942 6.333 1.00 0.00 C ATOM 133 C THR A 10 -18.015 3.850 5.618 1.00 0.00 C ATOM 134 O THR A 10 -18.970 3.247 6.095 1.00 0.00 O ATOM 135 CB THR A 10 -16.848 4.391 7.828 1.00 0.00 C ATOM 136 OG1 THR A 10 -17.523 3.386 8.609 1.00 0.00 O ATOM 137 CG2 THR A 10 -17.607 5.701 7.932 1.00 0.00 C ATOM 0 H THR A 10 -16.224 5.780 5.443 1.00 0.00 H new ATOM 0 HA THR A 10 -16.223 2.953 6.359 1.00 0.00 H new ATOM 0 HB THR A 10 -15.843 4.531 8.226 1.00 0.00 H new ATOM 0 HG1 THR A 10 -18.296 3.048 8.110 1.00 0.00 H new ATOM 0 HG21 THR A 10 -17.705 5.983 8.980 1.00 0.00 H new ATOM 0 HG22 THR A 10 -17.064 6.480 7.396 1.00 0.00 H new ATOM 0 HG23 THR A 10 -18.598 5.583 7.494 1.00 0.00 H new ATOM 145 N ARG A 11 -18.053 4.439 4.448 1.00 0.00 N ATOM 146 CA ARG A 11 -19.235 4.456 3.658 1.00 0.00 C ATOM 147 C ARG A 11 -18.926 3.898 2.288 1.00 0.00 C ATOM 148 O ARG A 11 -18.245 4.547 1.504 1.00 0.00 O ATOM 149 CB ARG A 11 -19.780 5.873 3.499 1.00 0.00 C ATOM 150 CG ARG A 11 -20.198 6.586 4.771 1.00 0.00 C ATOM 151 CD ARG A 11 -20.708 7.967 4.416 1.00 0.00 C ATOM 152 NE ARG A 11 -21.194 8.733 5.567 1.00 0.00 N ATOM 153 CZ ARG A 11 -22.237 9.573 5.510 1.00 0.00 C ATOM 154 NH1 ARG A 11 -22.926 9.696 4.377 1.00 0.00 N ATOM 155 NH2 ARG A 11 -22.575 10.304 6.569 1.00 0.00 N ATOM 0 H ARG A 11 -17.258 4.918 4.026 1.00 0.00 H new ATOM 0 HA ARG A 11 -19.987 3.850 4.162 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.020 6.477 3.004 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -20.641 5.834 2.831 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -20.974 6.018 5.283 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -19.353 6.661 5.456 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -19.908 8.526 3.931 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -21.515 7.870 3.689 1.00 0.00 H new ATOM 0 HE ARG A 11 -20.713 8.621 6.459 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -22.659 9.152 3.556 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -23.720 10.334 4.330 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -22.039 10.228 7.433 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -23.370 10.941 6.516 1.00 0.00 H new ATOM 169 N GLY A 12 -19.400 2.702 2.033 1.00 0.00 N ATOM 170 CA GLY A 12 -19.262 2.025 0.748 1.00 0.00 C ATOM 171 C GLY A 12 -19.577 2.920 -0.435 1.00 0.00 C ATOM 172 O GLY A 12 -18.772 3.092 -1.342 1.00 0.00 O ATOM 0 H GLY A 12 -19.907 2.151 2.726 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -18.244 1.649 0.650 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -19.924 1.160 0.727 1.00 0.00 H new ATOM 176 N GLN A 13 -20.739 3.502 -0.388 1.00 0.00 N ATOM 177 CA GLN A 13 -21.208 4.414 -1.396 1.00 0.00 C ATOM 178 C GLN A 13 -20.380 5.702 -1.532 1.00 0.00 C ATOM 179 O GLN A 13 -20.310 6.259 -2.607 1.00 0.00 O ATOM 180 CB GLN A 13 -22.703 4.704 -1.270 1.00 0.00 C ATOM 181 CG GLN A 13 -23.182 5.052 0.118 1.00 0.00 C ATOM 182 CD GLN A 13 -23.407 3.830 1.019 1.00 0.00 C ATOM 183 OE1 GLN A 13 -22.430 3.478 1.835 1.00 0.00 O flip ATOM 184 NE2 GLN A 13 -24.475 3.245 1.014 1.00 0.00 N flip ATOM 0 H GLN A 13 -21.405 3.354 0.370 1.00 0.00 H new ATOM 0 HA GLN A 13 -21.055 3.882 -2.335 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -22.953 5.527 -1.939 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -23.255 3.831 -1.618 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -22.453 5.710 0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -24.114 5.612 0.041 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -25.213 3.537 0.374 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -24.631 2.463 1.650 1.00 0.00 H new ATOM 193 N ASP A 14 -19.709 6.132 -0.470 1.00 0.00 N ATOM 194 CA ASP A 14 -18.902 7.369 -0.533 1.00 0.00 C ATOM 195 C ASP A 14 -17.520 7.019 -1.033 1.00 0.00 C ATOM 196 O ASP A 14 -16.802 7.842 -1.599 1.00 0.00 O ATOM 197 CB ASP A 14 -18.821 8.060 0.840 1.00 0.00 C ATOM 198 CG ASP A 14 -18.180 9.446 0.777 1.00 0.00 C ATOM 199 OD1 ASP A 14 -18.574 10.270 -0.086 1.00 0.00 O ATOM 200 OD2 ASP A 14 -17.326 9.773 1.637 1.00 0.00 O ATOM 0 H ASP A 14 -19.699 5.661 0.434 1.00 0.00 H new ATOM 0 HA ASP A 14 -19.379 8.071 -1.217 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -19.825 8.149 1.255 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -18.248 7.432 1.523 1.00 0.00 H new ATOM 205 N ALA A 15 -17.173 5.761 -0.844 1.00 0.00 N ATOM 206 CA ALA A 15 -15.924 5.204 -1.302 1.00 0.00 C ATOM 207 C ALA A 15 -15.965 5.036 -2.819 1.00 0.00 C ATOM 208 O ALA A 15 -14.922 5.024 -3.492 1.00 0.00 O ATOM 209 CB ALA A 15 -15.681 3.866 -0.611 1.00 0.00 C ATOM 0 H ALA A 15 -17.766 5.088 -0.358 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.103 5.876 -1.052 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -14.737 3.444 -0.957 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -15.638 4.016 0.468 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -16.494 3.180 -0.850 1.00 0.00 H new ATOM 215 N LYS A 16 -17.189 4.954 -3.364 1.00 0.00 N ATOM 216 CA LYS A 16 -17.392 4.834 -4.801 1.00 0.00 C ATOM 217 C LYS A 16 -16.840 6.025 -5.540 1.00 0.00 C ATOM 218 O LYS A 16 -16.510 5.908 -6.694 1.00 0.00 O ATOM 219 CB LYS A 16 -18.854 4.654 -5.193 1.00 0.00 C ATOM 220 CG LYS A 16 -19.512 3.376 -4.702 1.00 0.00 C ATOM 221 CD LYS A 16 -20.864 3.166 -5.385 1.00 0.00 C ATOM 222 CE LYS A 16 -21.817 4.340 -5.173 1.00 0.00 C ATOM 223 NZ LYS A 16 -23.046 4.204 -5.975 1.00 0.00 N ATOM 0 H LYS A 16 -18.052 4.969 -2.821 1.00 0.00 H new ATOM 0 HA LYS A 16 -16.850 3.932 -5.087 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -19.421 5.503 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -18.927 4.684 -6.280 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -18.861 2.525 -4.904 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -19.648 3.423 -3.622 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -20.708 3.018 -6.454 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -21.324 2.256 -5.001 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -22.079 4.409 -4.117 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -21.312 5.269 -5.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -23.666 5.021 -5.802 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -22.799 4.164 -6.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -23.542 3.330 -5.705 1.00 0.00 H new ATOM 237 N ALA A 17 -16.727 7.161 -4.861 1.00 0.00 N ATOM 238 CA ALA A 17 -16.198 8.389 -5.464 1.00 0.00 C ATOM 239 C ALA A 17 -14.813 8.162 -6.100 1.00 0.00 C ATOM 240 O ALA A 17 -14.498 8.729 -7.150 1.00 0.00 O ATOM 241 CB ALA A 17 -16.127 9.494 -4.430 1.00 0.00 C ATOM 0 H ALA A 17 -16.996 7.262 -3.882 1.00 0.00 H new ATOM 0 HA ALA A 17 -16.881 8.687 -6.259 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -15.733 10.399 -4.891 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -17.125 9.691 -4.039 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -15.472 9.188 -3.614 1.00 0.00 H new ATOM 247 N ALA A 18 -14.022 7.296 -5.490 1.00 0.00 N ATOM 248 CA ALA A 18 -12.700 6.971 -5.989 1.00 0.00 C ATOM 249 C ALA A 18 -12.812 6.131 -7.261 1.00 0.00 C ATOM 250 O ALA A 18 -12.099 6.344 -8.250 1.00 0.00 O ATOM 251 CB ALA A 18 -11.944 6.223 -4.929 1.00 0.00 C ATOM 0 H ALA A 18 -14.279 6.800 -4.637 1.00 0.00 H new ATOM 0 HA ALA A 18 -12.164 7.888 -6.232 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.949 5.976 -5.298 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -11.856 6.844 -4.038 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -12.477 5.305 -4.681 1.00 0.00 H new ATOM 257 N TYR A 19 -13.718 5.194 -7.237 1.00 0.00 N ATOM 258 CA TYR A 19 -14.009 4.344 -8.377 1.00 0.00 C ATOM 259 C TYR A 19 -14.623 5.172 -9.501 1.00 0.00 C ATOM 260 O TYR A 19 -14.329 4.970 -10.676 1.00 0.00 O ATOM 261 CB TYR A 19 -14.912 3.172 -7.938 1.00 0.00 C ATOM 262 CG TYR A 19 -16.037 2.832 -8.892 1.00 0.00 C ATOM 263 CD1 TYR A 19 -15.806 2.037 -9.992 1.00 0.00 C ATOM 264 CD2 TYR A 19 -17.317 3.347 -8.707 1.00 0.00 C ATOM 265 CE1 TYR A 19 -16.813 1.754 -10.890 1.00 0.00 C ATOM 266 CE2 TYR A 19 -18.328 3.079 -9.602 1.00 0.00 C ATOM 267 CZ TYR A 19 -18.070 2.280 -10.693 1.00 0.00 C ATOM 268 OH TYR A 19 -19.068 2.021 -11.605 1.00 0.00 O ATOM 0 H TYR A 19 -14.288 4.989 -6.416 1.00 0.00 H new ATOM 0 HA TYR A 19 -13.087 3.912 -8.767 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -14.291 2.286 -7.804 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -15.342 3.410 -6.965 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -14.820 1.628 -10.154 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -17.520 3.967 -7.847 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -16.617 1.123 -11.744 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -19.314 3.492 -9.450 1.00 0.00 H new ATOM 0 HH TYR A 19 -19.894 2.464 -11.320 1.00 0.00 H new ATOM 278 N ASP A 20 -15.415 6.126 -9.106 1.00 0.00 N ATOM 279 CA ASP A 20 -16.080 7.062 -10.007 1.00 0.00 C ATOM 280 C ASP A 20 -15.058 7.934 -10.713 1.00 0.00 C ATOM 281 O ASP A 20 -15.255 8.354 -11.844 1.00 0.00 O ATOM 282 CB ASP A 20 -17.070 7.914 -9.206 1.00 0.00 C ATOM 283 CG ASP A 20 -17.713 9.020 -9.999 1.00 0.00 C ATOM 284 OD1 ASP A 20 -18.519 8.724 -10.900 1.00 0.00 O ATOM 285 OD2 ASP A 20 -17.429 10.205 -9.707 1.00 0.00 O ATOM 0 H ASP A 20 -15.631 6.291 -8.123 1.00 0.00 H new ATOM 0 HA ASP A 20 -16.626 6.508 -10.771 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -17.851 7.266 -8.808 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -16.550 8.349 -8.352 1.00 0.00 H new ATOM 290 N ALA A 21 -13.935 8.151 -10.048 1.00 0.00 N ATOM 291 CA ALA A 21 -12.858 8.933 -10.609 1.00 0.00 C ATOM 292 C ALA A 21 -12.118 8.146 -11.688 1.00 0.00 C ATOM 293 O ALA A 21 -11.478 8.732 -12.557 1.00 0.00 O ATOM 294 CB ALA A 21 -11.902 9.396 -9.522 1.00 0.00 C ATOM 0 H ALA A 21 -13.750 7.791 -9.112 1.00 0.00 H new ATOM 0 HA ALA A 21 -13.291 9.818 -11.076 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -11.100 9.983 -9.969 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.441 10.009 -8.800 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -11.478 8.528 -9.016 1.00 0.00 H new ATOM 300 N GLY A 22 -12.199 6.817 -11.643 1.00 0.00 N ATOM 301 CA GLY A 22 -11.587 6.058 -12.700 1.00 0.00 C ATOM 302 C GLY A 22 -11.388 4.613 -12.366 1.00 0.00 C ATOM 303 O GLY A 22 -11.078 3.824 -13.249 1.00 0.00 O ATOM 0 H GLY A 22 -12.664 6.274 -10.915 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -12.206 6.133 -13.594 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.621 6.502 -12.942 1.00 0.00 H new ATOM 307 N ALA A 23 -11.561 4.254 -11.070 1.00 0.00 N ATOM 308 CA ALA A 23 -11.329 2.882 -10.578 1.00 0.00 C ATOM 309 C ALA A 23 -9.873 2.503 -10.781 1.00 0.00 C ATOM 310 O ALA A 23 -9.512 1.323 -10.806 1.00 0.00 O ATOM 311 CB ALA A 23 -12.268 1.876 -11.246 1.00 0.00 C ATOM 0 H ALA A 23 -11.863 4.905 -10.345 1.00 0.00 H new ATOM 0 HA ALA A 23 -11.551 2.856 -9.511 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -12.067 0.877 -10.858 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -13.302 2.147 -11.033 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -12.105 1.886 -12.324 1.00 0.00 H new ATOM 317 N ILE A 24 -9.048 3.547 -10.855 1.00 0.00 N ATOM 318 CA ILE A 24 -7.622 3.451 -11.105 1.00 0.00 C ATOM 319 C ILE A 24 -7.018 2.587 -10.037 1.00 0.00 C ATOM 320 O ILE A 24 -6.344 1.590 -10.316 1.00 0.00 O ATOM 321 CB ILE A 24 -6.958 4.846 -10.998 1.00 0.00 C ATOM 322 CG1 ILE A 24 -7.806 5.925 -11.694 1.00 0.00 C ATOM 323 CG2 ILE A 24 -5.561 4.801 -11.624 1.00 0.00 C ATOM 324 CD1 ILE A 24 -7.296 7.323 -11.442 1.00 0.00 C ATOM 0 H ILE A 24 -9.369 4.508 -10.738 1.00 0.00 H new ATOM 0 HA ILE A 24 -7.463 3.042 -12.103 1.00 0.00 H new ATOM 0 HB ILE A 24 -6.881 5.106 -9.942 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -7.817 5.735 -12.767 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -8.836 5.851 -11.346 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -5.096 5.784 -11.547 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -4.950 4.068 -11.097 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -5.642 4.519 -12.674 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -7.933 8.041 -11.958 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -7.310 7.528 -10.372 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -6.275 7.411 -11.815 1.00 0.00 H new ATOM 336 N TYR A 25 -7.308 2.975 -8.822 1.00 0.00 N ATOM 337 CA TYR A 25 -6.895 2.299 -7.647 1.00 0.00 C ATOM 338 C TYR A 25 -7.612 2.908 -6.452 1.00 0.00 C ATOM 339 O TYR A 25 -8.561 3.637 -6.630 1.00 0.00 O ATOM 340 CB TYR A 25 -5.354 2.299 -7.498 1.00 0.00 C ATOM 341 CG TYR A 25 -4.798 3.601 -7.170 1.00 0.00 C ATOM 342 CD1 TYR A 25 -4.710 3.977 -5.877 1.00 0.00 C ATOM 343 CD2 TYR A 25 -4.409 4.465 -8.144 1.00 0.00 C ATOM 344 CE1 TYR A 25 -4.258 5.177 -5.531 1.00 0.00 C ATOM 345 CE2 TYR A 25 -3.937 5.682 -7.832 1.00 0.00 C ATOM 346 CZ TYR A 25 -3.863 6.061 -6.512 1.00 0.00 C ATOM 347 OH TYR A 25 -3.383 7.305 -6.180 1.00 0.00 O ATOM 0 H TYR A 25 -7.863 3.809 -8.630 1.00 0.00 H new ATOM 0 HA TYR A 25 -7.174 1.247 -7.710 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -5.073 1.588 -6.721 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -4.908 1.947 -8.428 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -5.014 3.286 -5.105 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -4.480 4.169 -9.180 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -4.200 5.458 -4.490 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -3.618 6.358 -8.611 1.00 0.00 H new ATOM 0 HH TYR A 25 -3.151 7.795 -6.997 1.00 0.00 H new ATOM 357 N GLY A 26 -7.234 2.515 -5.289 1.00 0.00 N ATOM 358 CA GLY A 26 -7.679 3.127 -4.084 1.00 0.00 C ATOM 359 C GLY A 26 -6.533 3.074 -3.124 1.00 0.00 C ATOM 360 O GLY A 26 -6.006 1.990 -2.873 1.00 0.00 O ATOM 0 H GLY A 26 -6.589 1.738 -5.143 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -7.985 4.157 -4.264 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -8.545 2.603 -3.681 1.00 0.00 H new ATOM 364 N GLY A 27 -6.106 4.221 -2.642 1.00 0.00 N ATOM 365 CA GLY A 27 -4.938 4.283 -1.795 1.00 0.00 C ATOM 366 C GLY A 27 -5.290 4.449 -0.352 1.00 0.00 C ATOM 367 O GLY A 27 -5.598 5.563 0.102 1.00 0.00 O ATOM 0 H GLY A 27 -6.550 5.121 -2.823 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.352 3.372 -1.921 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -4.307 5.114 -2.110 1.00 0.00 H new ATOM 371 N LEU A 28 -5.241 3.369 0.361 1.00 0.00 N ATOM 372 CA LEU A 28 -5.578 3.335 1.741 1.00 0.00 C ATOM 373 C LEU A 28 -4.513 2.608 2.509 1.00 0.00 C ATOM 374 O LEU A 28 -3.696 1.893 1.932 1.00 0.00 O ATOM 375 CB LEU A 28 -7.006 2.738 2.009 1.00 0.00 C ATOM 376 CG LEU A 28 -7.438 1.388 1.329 1.00 0.00 C ATOM 377 CD1 LEU A 28 -7.600 1.520 -0.161 1.00 0.00 C ATOM 378 CD2 LEU A 28 -6.520 0.226 1.674 1.00 0.00 C ATOM 0 H LEU A 28 -4.957 2.464 -0.015 1.00 0.00 H new ATOM 0 HA LEU A 28 -5.624 4.365 2.095 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -7.103 2.603 3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.733 3.495 1.716 1.00 0.00 H new ATOM 0 HG LEU A 28 -8.417 1.157 1.749 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -7.899 0.560 -0.581 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -8.365 2.265 -0.379 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -6.654 1.831 -0.604 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -6.872 -0.676 1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -5.506 0.452 1.343 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -6.523 0.068 2.752 1.00 0.00 H new ATOM 390 N ILE A 29 -4.496 2.806 3.779 1.00 0.00 N ATOM 391 CA ILE A 29 -3.531 2.156 4.602 1.00 0.00 C ATOM 392 C ILE A 29 -4.108 1.233 5.612 1.00 0.00 C ATOM 393 O ILE A 29 -5.215 1.432 6.092 1.00 0.00 O ATOM 394 CB ILE A 29 -2.497 3.083 5.193 1.00 0.00 C ATOM 395 CG1 ILE A 29 -3.122 4.406 5.682 1.00 0.00 C ATOM 396 CG2 ILE A 29 -1.450 3.278 4.160 1.00 0.00 C ATOM 397 CD1 ILE A 29 -2.132 5.364 6.323 1.00 0.00 C ATOM 0 H ILE A 29 -5.143 3.417 4.277 1.00 0.00 H new ATOM 0 HA ILE A 29 -2.991 1.520 3.901 1.00 0.00 H new ATOM 0 HB ILE A 29 -2.051 2.648 6.087 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -3.597 4.904 4.837 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -3.909 4.179 6.402 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -0.678 3.944 4.545 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -1.005 2.316 3.907 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.896 3.717 3.268 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.653 6.268 6.639 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -1.674 4.888 7.190 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -1.358 5.624 5.601 1.00 0.00 H new ATOM 409 N PHE A 30 -3.321 0.266 5.971 1.00 0.00 N ATOM 410 CA PHE A 30 -3.802 -0.852 6.800 1.00 0.00 C ATOM 411 C PHE A 30 -3.864 -0.572 8.296 1.00 0.00 C ATOM 412 O PHE A 30 -2.921 -0.905 9.017 1.00 0.00 O ATOM 413 CB PHE A 30 -2.957 -2.115 6.611 1.00 0.00 C ATOM 414 CG PHE A 30 -2.858 -2.623 5.221 1.00 0.00 C ATOM 415 CD1 PHE A 30 -3.870 -3.385 4.668 1.00 0.00 C ATOM 416 CD2 PHE A 30 -1.732 -2.359 4.474 1.00 0.00 C ATOM 417 CE1 PHE A 30 -3.752 -3.870 3.387 1.00 0.00 C ATOM 418 CE2 PHE A 30 -1.608 -2.834 3.203 1.00 0.00 C ATOM 419 CZ PHE A 30 -2.614 -3.588 2.655 1.00 0.00 C ATOM 0 H PHE A 30 -2.336 0.207 5.714 1.00 0.00 H new ATOM 0 HA PHE A 30 -4.821 -0.996 6.440 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -1.950 -1.914 6.977 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.372 -2.904 7.238 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -4.757 -3.600 5.245 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.936 -1.767 4.901 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.542 -4.467 2.956 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -0.720 -2.617 2.628 1.00 0.00 H new ATOM 0 HZ PHE A 30 -2.517 -3.963 1.647 1.00 0.00 H new ATOM 429 N VAL A 31 -4.918 0.064 8.772 1.00 0.00 N ATOM 430 CA VAL A 31 -5.124 0.131 10.196 1.00 0.00 C ATOM 431 C VAL A 31 -6.529 -0.344 10.507 1.00 0.00 C ATOM 432 O VAL A 31 -7.499 0.021 9.801 1.00 0.00 O ATOM 433 CB VAL A 31 -4.882 1.537 10.809 1.00 0.00 C ATOM 434 CG1 VAL A 31 -5.081 1.497 12.318 1.00 0.00 C ATOM 435 CG2 VAL A 31 -3.487 2.036 10.475 1.00 0.00 C ATOM 0 H VAL A 31 -5.626 0.530 8.205 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.378 -0.516 10.657 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.606 2.228 10.378 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.908 2.489 12.734 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -6.100 1.182 12.542 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.377 0.791 12.759 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.339 3.023 10.914 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -2.747 1.344 10.878 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.373 2.100 9.393 1.00 0.00 H new ATOM 445 N ALA A 32 -6.634 -1.196 11.491 1.00 0.00 N ATOM 446 CA ALA A 32 -7.886 -1.725 11.922 1.00 0.00 C ATOM 447 C ALA A 32 -8.717 -0.668 12.626 1.00 0.00 C ATOM 448 O ALA A 32 -8.214 0.112 13.442 1.00 0.00 O ATOM 449 CB ALA A 32 -7.678 -2.926 12.820 1.00 0.00 C ATOM 0 H ALA A 32 -5.834 -1.544 12.020 1.00 0.00 H new ATOM 0 HA ALA A 32 -8.435 -2.047 11.037 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.646 -3.315 13.138 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -7.138 -3.699 12.274 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -7.101 -2.630 13.696 1.00 0.00 H new ATOM 455 N THR A 33 -9.976 -0.652 12.280 1.00 0.00 N ATOM 456 CA THR A 33 -11.038 0.218 12.819 1.00 0.00 C ATOM 457 C THR A 33 -10.760 1.749 12.784 1.00 0.00 C ATOM 458 O THR A 33 -11.543 2.528 13.342 1.00 0.00 O ATOM 459 CB THR A 33 -11.474 -0.220 14.255 1.00 0.00 C ATOM 460 OG1 THR A 33 -10.350 -0.225 15.146 1.00 0.00 O ATOM 461 CG2 THR A 33 -12.095 -1.606 14.237 1.00 0.00 C ATOM 0 H THR A 33 -10.333 -1.285 11.564 1.00 0.00 H new ATOM 0 HA THR A 33 -11.858 0.068 12.117 1.00 0.00 H new ATOM 0 HB THR A 33 -12.214 0.500 14.605 1.00 0.00 H new ATOM 0 HG1 THR A 33 -10.642 -0.500 16.040 1.00 0.00 H new ATOM 0 HG21 THR A 33 -12.389 -1.886 15.248 1.00 0.00 H new ATOM 0 HG22 THR A 33 -12.973 -1.603 13.591 1.00 0.00 H new ATOM 0 HG23 THR A 33 -11.369 -2.325 13.858 1.00 0.00 H new ATOM 469 N SER A 34 -9.710 2.196 12.117 1.00 0.00 N ATOM 470 CA SER A 34 -9.417 3.611 12.128 1.00 0.00 C ATOM 471 C SER A 34 -10.010 4.322 10.920 1.00 0.00 C ATOM 472 O SER A 34 -9.778 3.923 9.800 1.00 0.00 O ATOM 473 CB SER A 34 -7.923 3.845 12.262 1.00 0.00 C ATOM 474 OG SER A 34 -7.459 3.315 13.501 1.00 0.00 O ATOM 0 H SER A 34 -9.066 1.617 11.578 1.00 0.00 H new ATOM 0 HA SER A 34 -9.897 4.050 13.002 1.00 0.00 H new ATOM 0 HB2 SER A 34 -7.396 3.371 11.434 1.00 0.00 H new ATOM 0 HB3 SER A 34 -7.707 4.912 12.209 1.00 0.00 H new ATOM 0 HG SER A 34 -7.630 2.351 13.529 1.00 0.00 H new ATOM 480 N PRO A 35 -10.763 5.422 11.144 1.00 0.00 N ATOM 481 CA PRO A 35 -11.463 6.160 10.071 1.00 0.00 C ATOM 482 C PRO A 35 -10.521 6.872 9.084 1.00 0.00 C ATOM 483 O PRO A 35 -10.970 7.531 8.160 1.00 0.00 O ATOM 484 CB PRO A 35 -12.319 7.183 10.832 1.00 0.00 C ATOM 485 CG PRO A 35 -11.618 7.368 12.134 1.00 0.00 C ATOM 486 CD PRO A 35 -11.013 6.036 12.473 1.00 0.00 C ATOM 0 HA PRO A 35 -12.035 5.478 9.443 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -12.393 8.123 10.285 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -13.336 6.818 10.978 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.849 8.137 12.057 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -12.314 7.689 12.909 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -10.091 6.147 13.044 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.689 5.429 13.075 1.00 0.00 H new ATOM 494 N ARG A 36 -9.231 6.749 9.292 1.00 0.00 N ATOM 495 CA ARG A 36 -8.256 7.327 8.384 1.00 0.00 C ATOM 496 C ARG A 36 -7.635 6.241 7.514 1.00 0.00 C ATOM 497 O ARG A 36 -6.941 6.523 6.537 1.00 0.00 O ATOM 498 CB ARG A 36 -7.142 8.034 9.145 1.00 0.00 C ATOM 499 CG ARG A 36 -7.587 9.180 10.029 1.00 0.00 C ATOM 500 CD ARG A 36 -6.382 9.878 10.636 1.00 0.00 C ATOM 501 NE ARG A 36 -5.538 10.485 9.593 1.00 0.00 N ATOM 502 CZ ARG A 36 -4.231 10.262 9.397 1.00 0.00 C ATOM 503 NH1 ARG A 36 -3.554 9.416 10.179 1.00 0.00 N ATOM 504 NH2 ARG A 36 -3.610 10.882 8.407 1.00 0.00 N ATOM 0 H ARG A 36 -8.826 6.252 10.085 1.00 0.00 H new ATOM 0 HA ARG A 36 -8.781 8.053 7.762 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.624 7.300 9.763 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -6.417 8.413 8.425 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.172 9.891 9.446 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -8.236 8.806 10.821 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -6.716 10.648 11.331 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -5.795 9.162 11.212 1.00 0.00 H new ATOM 0 HE ARG A 36 -5.993 11.140 8.957 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -4.032 8.929 10.938 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -2.560 9.257 10.017 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -4.126 11.522 7.803 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -2.616 10.720 8.248 1.00 0.00 H new ATOM 518 N CYS A 37 -7.934 4.997 7.818 1.00 0.00 N ATOM 519 CA CYS A 37 -7.270 3.904 7.172 1.00 0.00 C ATOM 520 C CYS A 37 -8.250 2.775 6.849 1.00 0.00 C ATOM 521 O CYS A 37 -9.080 2.408 7.669 1.00 0.00 O ATOM 522 CB CYS A 37 -6.202 3.395 8.123 1.00 0.00 C ATOM 523 SG CYS A 37 -5.038 4.661 8.701 1.00 0.00 S ATOM 0 H CYS A 37 -8.633 4.725 8.509 1.00 0.00 H new ATOM 0 HA CYS A 37 -6.835 4.241 6.231 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -6.689 2.946 8.989 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -5.640 2.603 7.627 1.00 0.00 H new ATOM 0 HG CYS A 37 -3.838 4.162 8.739 1.00 0.00 H new ATOM 529 N VAL A 38 -8.165 2.218 5.671 1.00 0.00 N ATOM 530 CA VAL A 38 -8.986 1.112 5.354 1.00 0.00 C ATOM 531 C VAL A 38 -8.103 -0.101 5.317 1.00 0.00 C ATOM 532 O VAL A 38 -7.037 -0.077 4.758 1.00 0.00 O ATOM 533 CB VAL A 38 -9.741 1.342 3.997 1.00 0.00 C ATOM 534 CG1 VAL A 38 -10.053 0.048 3.283 1.00 0.00 C ATOM 535 CG2 VAL A 38 -11.039 2.062 4.252 1.00 0.00 C ATOM 0 H VAL A 38 -7.535 2.520 4.928 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.764 0.976 6.105 1.00 0.00 H new ATOM 0 HB VAL A 38 -9.079 1.934 3.365 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -10.575 0.264 2.351 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -9.125 -0.480 3.065 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.685 -0.574 3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -11.559 2.219 3.307 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.663 1.463 4.915 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -10.835 3.026 4.719 1.00 0.00 H new ATOM 545 N ASN A 39 -8.552 -1.142 5.900 1.00 0.00 N ATOM 546 CA ASN A 39 -7.789 -2.344 5.939 1.00 0.00 C ATOM 547 C ASN A 39 -8.644 -3.403 5.387 1.00 0.00 C ATOM 548 O ASN A 39 -9.728 -3.099 4.865 1.00 0.00 O ATOM 549 CB ASN A 39 -7.304 -2.666 7.388 1.00 0.00 C ATOM 550 CG ASN A 39 -8.259 -3.382 8.263 1.00 0.00 C ATOM 551 OD1 ASN A 39 -8.299 -4.600 8.351 1.00 0.00 O ATOM 552 ND2 ASN A 39 -8.976 -2.645 8.871 1.00 0.00 N ATOM 0 H ASN A 39 -9.458 -1.195 6.367 1.00 0.00 H new ATOM 0 HA ASN A 39 -6.878 -2.250 5.347 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -6.394 -3.262 7.318 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.035 -1.728 7.873 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.674 -3.025 9.510 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -8.890 -1.636 8.751 1.00 0.00 H new ATOM 559 N VAL A 40 -8.197 -4.605 5.524 1.00 0.00 N ATOM 560 CA VAL A 40 -8.898 -5.802 5.117 1.00 0.00 C ATOM 561 C VAL A 40 -10.369 -5.777 5.586 1.00 0.00 C ATOM 562 O VAL A 40 -11.252 -6.177 4.841 1.00 0.00 O ATOM 563 CB VAL A 40 -8.160 -7.033 5.702 1.00 0.00 C ATOM 564 CG1 VAL A 40 -8.843 -8.328 5.357 1.00 0.00 C ATOM 565 CG2 VAL A 40 -6.726 -7.055 5.220 1.00 0.00 C ATOM 0 H VAL A 40 -7.288 -4.802 5.943 1.00 0.00 H new ATOM 0 HA VAL A 40 -8.908 -5.858 4.029 1.00 0.00 H new ATOM 0 HB VAL A 40 -8.181 -6.938 6.788 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -8.287 -9.159 5.790 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -9.857 -8.322 5.757 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -8.881 -8.442 4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -6.216 -7.923 5.636 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -6.709 -7.111 4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -6.219 -6.146 5.544 1.00 0.00 H new ATOM 575 N GLU A 41 -10.602 -5.187 6.766 1.00 0.00 N ATOM 576 CA GLU A 41 -11.891 -5.102 7.360 1.00 0.00 C ATOM 577 C GLU A 41 -12.864 -4.377 6.461 1.00 0.00 C ATOM 578 O GLU A 41 -13.839 -4.933 5.964 1.00 0.00 O ATOM 579 CB GLU A 41 -11.827 -4.296 8.615 1.00 0.00 C ATOM 580 CG GLU A 41 -11.160 -4.869 9.819 1.00 0.00 C ATOM 581 CD GLU A 41 -11.293 -3.883 10.943 1.00 0.00 C ATOM 582 OE1 GLU A 41 -10.767 -2.751 10.806 1.00 0.00 O ATOM 583 OE2 GLU A 41 -11.965 -4.179 11.939 1.00 0.00 O ATOM 0 H GLU A 41 -9.867 -4.754 7.325 1.00 0.00 H new ATOM 0 HA GLU A 41 -12.216 -6.126 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -11.324 -3.359 8.377 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -12.850 -4.046 8.896 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.618 -5.820 10.091 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -10.109 -5.070 9.612 1.00 0.00 H new ATOM 590 N GLN A 42 -12.548 -3.120 6.260 1.00 0.00 N ATOM 591 CA GLN A 42 -13.336 -2.187 5.538 1.00 0.00 C ATOM 592 C GLN A 42 -13.358 -2.531 4.068 1.00 0.00 C ATOM 593 O GLN A 42 -14.414 -2.643 3.464 1.00 0.00 O ATOM 594 CB GLN A 42 -12.712 -0.812 5.744 1.00 0.00 C ATOM 595 CG GLN A 42 -12.914 -0.157 7.121 1.00 0.00 C ATOM 596 CD GLN A 42 -12.647 -1.002 8.325 1.00 0.00 C ATOM 597 OE1 GLN A 42 -13.526 -1.697 8.815 1.00 0.00 O ATOM 598 NE2 GLN A 42 -11.479 -0.906 8.856 1.00 0.00 N ATOM 0 H GLN A 42 -11.685 -2.713 6.621 1.00 0.00 H new ATOM 0 HA GLN A 42 -14.366 -2.205 5.895 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -11.641 -0.895 5.561 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.114 -0.140 4.986 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -12.271 0.721 7.175 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.943 0.198 7.179 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -10.768 -0.317 8.422 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -11.264 -1.419 9.711 1.00 0.00 H new ATOM 607 N ALA A 43 -12.184 -2.756 3.516 1.00 0.00 N ATOM 608 CA ALA A 43 -12.024 -3.015 2.096 1.00 0.00 C ATOM 609 C ALA A 43 -12.754 -4.276 1.639 1.00 0.00 C ATOM 610 O ALA A 43 -13.104 -4.388 0.473 1.00 0.00 O ATOM 611 CB ALA A 43 -10.558 -3.074 1.731 1.00 0.00 C ATOM 0 H ALA A 43 -11.309 -2.765 4.040 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.487 -2.182 1.566 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -10.456 -3.269 0.663 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -10.084 -2.123 1.973 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -10.075 -3.873 2.293 1.00 0.00 H new ATOM 617 N GLN A 44 -13.000 -5.214 2.567 1.00 0.00 N ATOM 618 CA GLN A 44 -13.723 -6.442 2.250 1.00 0.00 C ATOM 619 C GLN A 44 -15.132 -6.081 1.770 1.00 0.00 C ATOM 620 O GLN A 44 -15.692 -6.719 0.887 1.00 0.00 O ATOM 621 CB GLN A 44 -13.837 -7.330 3.491 1.00 0.00 C ATOM 622 CG GLN A 44 -13.846 -8.823 3.194 1.00 0.00 C ATOM 623 CD GLN A 44 -12.533 -9.500 3.590 1.00 0.00 C ATOM 624 OE1 GLN A 44 -11.445 -8.762 3.582 1.00 0.00 O flip ATOM 625 NE2 GLN A 44 -12.507 -10.691 3.919 1.00 0.00 N flip ATOM 0 H GLN A 44 -12.706 -5.140 3.541 1.00 0.00 H new ATOM 0 HA GLN A 44 -13.181 -6.981 1.473 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -13.004 -7.109 4.159 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -14.751 -7.072 4.025 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -14.671 -9.293 3.730 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -14.027 -8.979 2.130 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -13.367 -11.240 3.916 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.626 -11.125 4.194 1.00 0.00 H new ATOM 634 N GLU A 45 -15.670 -5.033 2.352 1.00 0.00 N ATOM 635 CA GLU A 45 -16.986 -4.535 2.018 1.00 0.00 C ATOM 636 C GLU A 45 -16.885 -3.656 0.797 1.00 0.00 C ATOM 637 O GLU A 45 -17.592 -3.845 -0.190 1.00 0.00 O ATOM 638 CB GLU A 45 -17.499 -3.684 3.161 1.00 0.00 C ATOM 639 CG GLU A 45 -17.569 -4.408 4.491 1.00 0.00 C ATOM 640 CD GLU A 45 -17.967 -3.491 5.608 1.00 0.00 C ATOM 641 OE1 GLU A 45 -19.094 -2.934 5.566 1.00 0.00 O ATOM 642 OE2 GLU A 45 -17.161 -3.282 6.532 1.00 0.00 O ATOM 0 H GLU A 45 -15.200 -4.495 3.080 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.656 -5.375 1.833 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -16.854 -2.812 3.268 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -18.493 -3.316 2.908 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.285 -5.227 4.421 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.599 -4.852 4.714 1.00 0.00 H new ATOM 649 N VAL A 46 -15.952 -2.724 0.866 1.00 0.00 N ATOM 650 CA VAL A 46 -15.747 -1.708 -0.156 1.00 0.00 C ATOM 651 C VAL A 46 -15.458 -2.328 -1.536 1.00 0.00 C ATOM 652 O VAL A 46 -15.845 -1.775 -2.562 1.00 0.00 O ATOM 653 CB VAL A 46 -14.601 -0.730 0.240 1.00 0.00 C ATOM 654 CG1 VAL A 46 -14.501 0.415 -0.731 1.00 0.00 C ATOM 655 CG2 VAL A 46 -14.795 -0.192 1.643 1.00 0.00 C ATOM 0 H VAL A 46 -15.302 -2.649 1.648 1.00 0.00 H new ATOM 0 HA VAL A 46 -16.678 -1.146 -0.228 1.00 0.00 H new ATOM 0 HB VAL A 46 -13.672 -1.299 0.209 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -13.692 1.080 -0.428 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -14.298 0.028 -1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -15.441 0.967 -0.740 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -13.979 0.487 1.888 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -15.742 0.344 1.699 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -14.804 -1.020 2.352 1.00 0.00 H new ATOM 665 N MET A 47 -14.829 -3.497 -1.559 1.00 0.00 N ATOM 666 CA MET A 47 -14.490 -4.166 -2.828 1.00 0.00 C ATOM 667 C MET A 47 -15.742 -4.648 -3.564 1.00 0.00 C ATOM 668 O MET A 47 -15.684 -5.022 -4.742 1.00 0.00 O ATOM 669 CB MET A 47 -13.487 -5.323 -2.619 1.00 0.00 C ATOM 670 CG MET A 47 -14.032 -6.526 -1.859 1.00 0.00 C ATOM 671 SD MET A 47 -12.766 -7.772 -1.485 1.00 0.00 S ATOM 672 CE MET A 47 -12.154 -8.159 -3.132 1.00 0.00 C ATOM 0 H MET A 47 -14.541 -4.006 -0.723 1.00 0.00 H new ATOM 0 HA MET A 47 -14.003 -3.421 -3.457 1.00 0.00 H new ATOM 0 HB2 MET A 47 -13.136 -5.659 -3.595 1.00 0.00 H new ATOM 0 HB3 MET A 47 -12.619 -4.938 -2.083 1.00 0.00 H new ATOM 0 HG2 MET A 47 -14.483 -6.185 -0.927 1.00 0.00 H new ATOM 0 HG3 MET A 47 -14.825 -6.989 -2.446 1.00 0.00 H new ATOM 0 HE1 MET A 47 -11.545 -9.062 -3.091 1.00 0.00 H new ATOM 0 HE2 MET A 47 -12.996 -8.320 -3.805 1.00 0.00 H new ATOM 0 HE3 MET A 47 -11.549 -7.330 -3.500 1.00 0.00 H new ATOM 682 N ALA A 48 -16.865 -4.629 -2.875 1.00 0.00 N ATOM 683 CA ALA A 48 -18.129 -4.998 -3.459 1.00 0.00 C ATOM 684 C ALA A 48 -18.916 -3.746 -3.822 1.00 0.00 C ATOM 685 O ALA A 48 -19.965 -3.820 -4.453 1.00 0.00 O ATOM 686 CB ALA A 48 -18.921 -5.857 -2.494 1.00 0.00 C ATOM 0 H ALA A 48 -16.922 -4.356 -1.894 1.00 0.00 H new ATOM 0 HA ALA A 48 -17.946 -5.575 -4.366 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -19.874 -6.129 -2.947 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -18.357 -6.761 -2.265 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -19.102 -5.299 -1.575 1.00 0.00 H new ATOM 692 N ALA A 49 -18.394 -2.602 -3.429 1.00 0.00 N ATOM 693 CA ALA A 49 -19.054 -1.335 -3.661 1.00 0.00 C ATOM 694 C ALA A 49 -18.332 -0.519 -4.729 1.00 0.00 C ATOM 695 O ALA A 49 -18.967 0.062 -5.613 1.00 0.00 O ATOM 696 CB ALA A 49 -19.159 -0.544 -2.363 1.00 0.00 C ATOM 0 H ALA A 49 -17.502 -2.525 -2.941 1.00 0.00 H new ATOM 0 HA ALA A 49 -20.060 -1.544 -4.026 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -19.658 0.406 -2.555 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -19.734 -1.115 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -18.160 -0.356 -1.970 1.00 0.00 H new ATOM 702 N ALA A 50 -17.015 -0.501 -4.680 1.00 0.00 N ATOM 703 CA ALA A 50 -16.250 0.240 -5.583 1.00 0.00 C ATOM 704 C ALA A 50 -15.169 -0.669 -6.070 1.00 0.00 C ATOM 705 O ALA A 50 -14.199 -0.914 -5.355 1.00 0.00 O ATOM 706 CB ALA A 50 -15.665 1.456 -4.880 1.00 0.00 C ATOM 0 H ALA A 50 -16.467 -1.017 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 50 -16.848 0.603 -6.419 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -15.068 2.033 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -16.473 2.078 -4.495 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -15.034 1.130 -4.054 1.00 0.00 H new ATOM 712 N PRO A 51 -15.338 -1.260 -7.254 1.00 0.00 N ATOM 713 CA PRO A 51 -14.374 -2.179 -7.787 1.00 0.00 C ATOM 714 C PRO A 51 -13.154 -1.459 -8.330 1.00 0.00 C ATOM 715 O PRO A 51 -12.993 -1.266 -9.534 1.00 0.00 O ATOM 716 CB PRO A 51 -15.119 -2.958 -8.876 1.00 0.00 C ATOM 717 CG PRO A 51 -16.459 -2.297 -9.025 1.00 0.00 C ATOM 718 CD PRO A 51 -16.471 -1.067 -8.160 1.00 0.00 C ATOM 0 HA PRO A 51 -13.984 -2.847 -7.019 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -14.568 -2.936 -9.816 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -15.231 -4.006 -8.597 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -16.639 -2.032 -10.067 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -17.255 -2.979 -8.728 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -16.357 -0.160 -8.754 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -17.409 -0.973 -7.612 1.00 0.00 H new ATOM 726 N LEU A 52 -12.388 -0.953 -7.419 1.00 0.00 N ATOM 727 CA LEU A 52 -11.153 -0.300 -7.711 1.00 0.00 C ATOM 728 C LEU A 52 -9.968 -1.155 -7.240 1.00 0.00 C ATOM 729 O LEU A 52 -10.138 -2.074 -6.442 1.00 0.00 O ATOM 730 CB LEU A 52 -11.165 1.142 -7.135 1.00 0.00 C ATOM 731 CG LEU A 52 -11.845 1.323 -5.764 1.00 0.00 C ATOM 732 CD1 LEU A 52 -11.004 0.810 -4.620 1.00 0.00 C ATOM 733 CD2 LEU A 52 -12.285 2.746 -5.525 1.00 0.00 C ATOM 0 H LEU A 52 -12.610 -0.983 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 52 -11.029 -0.195 -8.789 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -10.134 1.487 -7.054 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -11.663 1.793 -7.853 1.00 0.00 H new ATOM 0 HG LEU A 52 -12.743 0.706 -5.798 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -11.535 0.965 -3.680 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -10.812 -0.254 -4.758 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -10.057 1.349 -4.595 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -12.758 2.821 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -11.418 3.406 -5.561 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -12.997 3.041 -6.296 1.00 0.00 H new ATOM 745 N GLN A 53 -8.809 -0.875 -7.774 1.00 0.00 N ATOM 746 CA GLN A 53 -7.588 -1.595 -7.526 1.00 0.00 C ATOM 747 C GLN A 53 -7.063 -1.204 -6.154 1.00 0.00 C ATOM 748 O GLN A 53 -6.778 -0.063 -5.919 1.00 0.00 O ATOM 749 CB GLN A 53 -6.660 -1.081 -8.586 1.00 0.00 C ATOM 750 CG GLN A 53 -5.490 -1.899 -8.971 1.00 0.00 C ATOM 751 CD GLN A 53 -4.152 -1.416 -8.384 1.00 0.00 C ATOM 752 OE1 GLN A 53 -4.140 -0.939 -7.172 1.00 0.00 O flip ATOM 753 NE2 GLN A 53 -3.112 -1.545 -9.019 1.00 0.00 N flip ATOM 0 H GLN A 53 -8.685 -0.100 -8.426 1.00 0.00 H new ATOM 0 HA GLN A 53 -7.702 -2.679 -7.549 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -7.251 -0.908 -9.485 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -6.289 -0.110 -8.257 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -5.661 -2.927 -8.653 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -5.412 -1.910 -10.058 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -3.137 -1.920 -9.967 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -2.222 -1.277 -8.599 1.00 0.00 H new ATOM 762 N TYR A 54 -6.881 -2.112 -5.295 1.00 0.00 N ATOM 763 CA TYR A 54 -6.458 -1.744 -3.958 1.00 0.00 C ATOM 764 C TYR A 54 -4.967 -1.762 -3.825 1.00 0.00 C ATOM 765 O TYR A 54 -4.270 -2.659 -4.351 1.00 0.00 O ATOM 766 CB TYR A 54 -7.114 -2.599 -2.872 1.00 0.00 C ATOM 767 CG TYR A 54 -8.596 -2.398 -2.740 1.00 0.00 C ATOM 768 CD1 TYR A 54 -9.493 -3.087 -3.528 1.00 0.00 C ATOM 769 CD2 TYR A 54 -9.088 -1.500 -1.829 1.00 0.00 C ATOM 770 CE1 TYR A 54 -10.841 -2.869 -3.412 1.00 0.00 C ATOM 771 CE2 TYR A 54 -10.428 -1.279 -1.696 1.00 0.00 C ATOM 772 CZ TYR A 54 -11.299 -1.962 -2.492 1.00 0.00 C ATOM 773 OH TYR A 54 -12.620 -1.722 -2.388 1.00 0.00 O ATOM 0 H TYR A 54 -7.007 -3.111 -5.458 1.00 0.00 H new ATOM 0 HA TYR A 54 -6.800 -0.720 -3.805 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -6.919 -3.650 -3.086 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -6.642 -2.376 -1.915 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.129 -3.807 -4.246 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -8.399 -0.954 -1.202 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -11.536 -3.407 -4.040 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -10.795 -0.571 -0.968 1.00 0.00 H new ATOM 0 HH TYR A 54 -12.868 -0.989 -2.990 1.00 0.00 H new ATOM 783 N VAL A 55 -4.475 -0.766 -3.163 1.00 0.00 N ATOM 784 CA VAL A 55 -3.098 -0.646 -2.905 1.00 0.00 C ATOM 785 C VAL A 55 -2.910 -0.323 -1.440 1.00 0.00 C ATOM 786 O VAL A 55 -3.677 0.456 -0.861 1.00 0.00 O ATOM 787 CB VAL A 55 -2.410 0.419 -3.812 1.00 0.00 C ATOM 788 CG1 VAL A 55 -2.933 1.819 -3.553 1.00 0.00 C ATOM 789 CG2 VAL A 55 -0.928 0.380 -3.624 1.00 0.00 C ATOM 0 H VAL A 55 -5.039 -0.005 -2.784 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.615 -1.594 -3.143 1.00 0.00 H new ATOM 0 HB VAL A 55 -2.652 0.168 -4.845 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -2.423 2.525 -4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -4.005 1.849 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -2.747 2.090 -2.514 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -0.460 1.129 -4.263 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.688 0.591 -2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.553 -0.609 -3.889 1.00 0.00 H new ATOM 799 N GLY A 56 -1.968 -0.975 -0.848 1.00 0.00 N ATOM 800 CA GLY A 56 -1.665 -0.745 0.539 1.00 0.00 C ATOM 801 C GLY A 56 -0.299 -0.200 0.717 1.00 0.00 C ATOM 802 O GLY A 56 0.571 -0.459 -0.078 1.00 0.00 O ATOM 0 H GLY A 56 -1.385 -1.679 -1.300 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -2.392 -0.051 0.960 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -1.759 -1.679 1.092 1.00 0.00 H new ATOM 806 N VAL A 57 -0.120 0.572 1.735 1.00 0.00 N ATOM 807 CA VAL A 57 1.164 1.128 2.098 1.00 0.00 C ATOM 808 C VAL A 57 1.326 0.824 3.567 1.00 0.00 C ATOM 809 O VAL A 57 0.357 0.977 4.307 1.00 0.00 O ATOM 810 CB VAL A 57 1.187 2.690 1.919 1.00 0.00 C ATOM 811 CG1 VAL A 57 2.568 3.274 2.193 1.00 0.00 C ATOM 812 CG2 VAL A 57 0.670 3.127 0.549 1.00 0.00 C ATOM 0 H VAL A 57 -0.875 0.848 2.362 1.00 0.00 H new ATOM 0 HA VAL A 57 1.952 0.709 1.472 1.00 0.00 H new ATOM 0 HB VAL A 57 0.502 3.092 2.666 1.00 0.00 H new ATOM 0 HG11 VAL A 57 2.539 4.355 2.058 1.00 0.00 H new ATOM 0 HG12 VAL A 57 2.864 3.044 3.217 1.00 0.00 H new ATOM 0 HG13 VAL A 57 3.290 2.841 1.501 1.00 0.00 H new ATOM 0 HG21 VAL A 57 0.706 4.214 0.476 1.00 0.00 H new ATOM 0 HG22 VAL A 57 1.293 2.690 -0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -0.359 2.789 0.424 1.00 0.00 H new ATOM 822 N PHE A 58 2.473 0.334 3.996 1.00 0.00 N ATOM 823 CA PHE A 58 2.671 0.115 5.430 1.00 0.00 C ATOM 824 C PHE A 58 4.105 -0.271 5.716 1.00 0.00 C ATOM 825 O PHE A 58 4.855 -0.663 4.811 1.00 0.00 O ATOM 826 CB PHE A 58 1.710 -0.984 5.966 1.00 0.00 C ATOM 827 CG PHE A 58 1.370 -0.856 7.432 1.00 0.00 C ATOM 828 CD1 PHE A 58 0.446 0.092 7.852 1.00 0.00 C ATOM 829 CD2 PHE A 58 1.962 -1.668 8.381 1.00 0.00 C ATOM 830 CE1 PHE A 58 0.125 0.223 9.187 1.00 0.00 C ATOM 831 CE2 PHE A 58 1.643 -1.540 9.719 1.00 0.00 C ATOM 832 CZ PHE A 58 0.723 -0.594 10.123 1.00 0.00 C ATOM 0 H PHE A 58 3.263 0.084 3.401 1.00 0.00 H new ATOM 0 HA PHE A 58 2.446 1.050 5.943 1.00 0.00 H new ATOM 0 HB2 PHE A 58 0.787 -0.955 5.388 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.163 -1.960 5.795 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -0.027 0.735 7.124 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.682 -2.411 8.073 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.595 0.965 9.499 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.114 -2.181 10.450 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.472 -0.494 11.169 1.00 0.00 H new ATOM 842 N ARG A 59 4.508 -0.088 6.948 1.00 0.00 N ATOM 843 CA ARG A 59 5.776 -0.552 7.393 1.00 0.00 C ATOM 844 C ARG A 59 5.522 -1.783 8.228 1.00 0.00 C ATOM 845 O ARG A 59 5.160 -1.692 9.406 1.00 0.00 O ATOM 846 CB ARG A 59 6.518 0.493 8.216 1.00 0.00 C ATOM 847 CG ARG A 59 7.855 -0.016 8.714 1.00 0.00 C ATOM 848 CD ARG A 59 8.507 0.928 9.688 1.00 0.00 C ATOM 849 NE ARG A 59 8.935 2.190 9.092 1.00 0.00 N ATOM 850 CZ ARG A 59 10.192 2.640 9.141 1.00 0.00 C ATOM 851 NH1 ARG A 59 11.188 1.832 9.521 1.00 0.00 N ATOM 852 NH2 ARG A 59 10.466 3.874 8.755 1.00 0.00 N ATOM 0 H ARG A 59 3.958 0.388 7.663 1.00 0.00 H new ATOM 0 HA ARG A 59 6.408 -0.769 6.532 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.673 1.386 7.611 1.00 0.00 H new ATOM 0 HB3 ARG A 59 5.903 0.787 9.067 1.00 0.00 H new ATOM 0 HG2 ARG A 59 7.715 -0.986 9.192 1.00 0.00 H new ATOM 0 HG3 ARG A 59 8.520 -0.172 7.864 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.809 1.138 10.498 1.00 0.00 H new ATOM 0 HD3 ARG A 59 9.372 0.436 10.133 1.00 0.00 H new ATOM 0 HE ARG A 59 8.237 2.759 8.613 1.00 0.00 H new ATOM 0 HH11 ARG A 59 10.991 0.864 9.776 1.00 0.00 H new ATOM 0 HH12 ARG A 59 12.145 2.184 9.556 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.718 4.482 8.420 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.425 4.219 8.792 1.00 0.00 H new ATOM 866 N ASN A 60 5.656 -2.902 7.623 1.00 0.00 N ATOM 867 CA ASN A 60 5.398 -4.122 8.221 1.00 0.00 C ATOM 868 C ASN A 60 6.713 -4.690 8.571 1.00 0.00 C ATOM 869 O ASN A 60 7.717 -4.412 7.929 1.00 0.00 O ATOM 870 CB ASN A 60 4.683 -5.063 7.241 1.00 0.00 C ATOM 871 CG ASN A 60 3.359 -4.523 6.704 1.00 0.00 C ATOM 872 OD1 ASN A 60 3.336 -3.782 5.729 1.00 0.00 O ATOM 873 ND2 ASN A 60 2.257 -4.947 7.270 1.00 0.00 N ATOM 0 H ASN A 60 5.963 -2.978 6.653 1.00 0.00 H new ATOM 0 HA ASN A 60 4.756 -4.001 9.094 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.347 -5.266 6.401 1.00 0.00 H new ATOM 0 HB3 ASN A 60 4.499 -6.015 7.739 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.351 -4.661 6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 60 2.305 -5.564 8.081 1.00 0.00 H new ATOM 880 N HIS A 61 6.717 -5.394 9.589 1.00 0.00 N ATOM 881 CA HIS A 61 7.907 -6.083 10.049 1.00 0.00 C ATOM 882 C HIS A 61 7.887 -7.519 9.587 1.00 0.00 C ATOM 883 O HIS A 61 8.908 -8.075 9.198 1.00 0.00 O ATOM 884 CB HIS A 61 8.042 -6.035 11.576 1.00 0.00 C ATOM 885 CG HIS A 61 8.281 -4.670 12.139 1.00 0.00 C ATOM 886 ND1 HIS A 61 7.519 -4.101 13.133 1.00 0.00 N ATOM 887 CD2 HIS A 61 9.253 -3.775 11.860 1.00 0.00 C ATOM 888 CE1 HIS A 61 8.031 -2.911 13.420 1.00 0.00 C ATOM 889 NE2 HIS A 61 9.092 -2.659 12.677 1.00 0.00 N ATOM 0 H HIS A 61 5.896 -5.543 10.176 1.00 0.00 H new ATOM 0 HA HIS A 61 8.767 -5.569 9.620 1.00 0.00 H new ATOM 0 HB2 HIS A 61 7.134 -6.443 12.021 1.00 0.00 H new ATOM 0 HB3 HIS A 61 8.864 -6.686 11.875 1.00 0.00 H new ATOM 0 HD2 HIS A 61 10.031 -3.904 11.122 1.00 0.00 H new ATOM 0 HE1 HIS A 61 7.632 -2.237 14.164 1.00 0.00 H new ATOM 0 HE2 HIS A 61 9.673 -1.821 12.697 1.00 0.00 H new ATOM 897 N ASP A 62 6.718 -8.103 9.597 1.00 0.00 N ATOM 898 CA ASP A 62 6.558 -9.499 9.254 1.00 0.00 C ATOM 899 C ASP A 62 6.128 -9.626 7.818 1.00 0.00 C ATOM 900 O ASP A 62 5.145 -9.017 7.399 1.00 0.00 O ATOM 901 CB ASP A 62 5.528 -10.150 10.167 1.00 0.00 C ATOM 902 CG ASP A 62 5.585 -11.650 10.118 1.00 0.00 C ATOM 903 OD1 ASP A 62 5.213 -12.251 9.100 1.00 0.00 O ATOM 904 OD2 ASP A 62 6.002 -12.265 11.115 1.00 0.00 O ATOM 0 H ASP A 62 5.849 -7.629 9.842 1.00 0.00 H new ATOM 0 HA ASP A 62 7.513 -10.007 9.386 1.00 0.00 H new ATOM 0 HB2 ASP A 62 5.692 -9.816 11.192 1.00 0.00 H new ATOM 0 HB3 ASP A 62 4.530 -9.818 9.880 1.00 0.00 H new ATOM 909 N ILE A 63 6.868 -10.402 7.067 1.00 0.00 N ATOM 910 CA ILE A 63 6.578 -10.624 5.666 1.00 0.00 C ATOM 911 C ILE A 63 5.247 -11.328 5.461 1.00 0.00 C ATOM 912 O ILE A 63 4.485 -10.980 4.555 1.00 0.00 O ATOM 913 CB ILE A 63 7.734 -11.369 4.934 1.00 0.00 C ATOM 914 CG1 ILE A 63 7.325 -11.706 3.503 1.00 0.00 C ATOM 915 CG2 ILE A 63 8.158 -12.631 5.690 1.00 0.00 C ATOM 916 CD1 ILE A 63 8.477 -11.963 2.585 1.00 0.00 C ATOM 0 H ILE A 63 7.691 -10.900 7.407 1.00 0.00 H new ATOM 0 HA ILE A 63 6.495 -9.637 5.211 1.00 0.00 H new ATOM 0 HB ILE A 63 8.596 -10.702 4.904 1.00 0.00 H new ATOM 0 HG12 ILE A 63 6.682 -12.586 3.518 1.00 0.00 H new ATOM 0 HG13 ILE A 63 6.731 -10.884 3.103 1.00 0.00 H new ATOM 0 HG21 ILE A 63 8.966 -13.124 5.150 1.00 0.00 H new ATOM 0 HG22 ILE A 63 8.502 -12.359 6.688 1.00 0.00 H new ATOM 0 HG23 ILE A 63 7.309 -13.309 5.771 1.00 0.00 H new ATOM 0 HD11 ILE A 63 8.103 -12.195 1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 63 9.109 -11.077 2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 63 9.060 -12.805 2.959 1.00 0.00 H new ATOM 928 N ALA A 64 4.902 -12.210 6.368 1.00 0.00 N ATOM 929 CA ALA A 64 3.690 -12.999 6.208 1.00 0.00 C ATOM 930 C ALA A 64 2.481 -12.152 6.537 1.00 0.00 C ATOM 931 O ALA A 64 1.367 -12.453 6.143 1.00 0.00 O ATOM 932 CB ALA A 64 3.739 -14.253 7.064 1.00 0.00 C ATOM 0 H ALA A 64 5.432 -12.403 7.218 1.00 0.00 H new ATOM 0 HA ALA A 64 3.613 -13.322 5.170 1.00 0.00 H new ATOM 0 HB1 ALA A 64 2.821 -14.824 6.925 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.593 -14.862 6.769 1.00 0.00 H new ATOM 0 HB3 ALA A 64 3.838 -13.974 8.113 1.00 0.00 H new ATOM 938 N ASP A 65 2.742 -11.044 7.191 1.00 0.00 N ATOM 939 CA ASP A 65 1.722 -10.094 7.589 1.00 0.00 C ATOM 940 C ASP A 65 1.282 -9.294 6.382 1.00 0.00 C ATOM 941 O ASP A 65 0.084 -9.017 6.196 1.00 0.00 O ATOM 942 CB ASP A 65 2.263 -9.181 8.692 1.00 0.00 C ATOM 943 CG ASP A 65 1.351 -8.036 9.031 1.00 0.00 C ATOM 944 OD1 ASP A 65 0.154 -8.264 9.245 1.00 0.00 O ATOM 945 OD2 ASP A 65 1.828 -6.884 9.090 1.00 0.00 O ATOM 0 H ASP A 65 3.685 -10.770 7.468 1.00 0.00 H new ATOM 0 HA ASP A 65 0.856 -10.624 7.986 1.00 0.00 H new ATOM 0 HB2 ASP A 65 2.436 -9.774 9.590 1.00 0.00 H new ATOM 0 HB3 ASP A 65 3.229 -8.784 8.381 1.00 0.00 H new ATOM 950 N VAL A 66 2.251 -8.973 5.542 1.00 0.00 N ATOM 951 CA VAL A 66 2.006 -8.271 4.294 1.00 0.00 C ATOM 952 C VAL A 66 1.297 -9.215 3.349 1.00 0.00 C ATOM 953 O VAL A 66 0.267 -8.868 2.751 1.00 0.00 O ATOM 954 CB VAL A 66 3.325 -7.831 3.609 1.00 0.00 C ATOM 955 CG1 VAL A 66 3.047 -6.961 2.388 1.00 0.00 C ATOM 956 CG2 VAL A 66 4.238 -7.124 4.578 1.00 0.00 C ATOM 0 H VAL A 66 3.233 -9.193 5.707 1.00 0.00 H new ATOM 0 HA VAL A 66 1.413 -7.384 4.518 1.00 0.00 H new ATOM 0 HB VAL A 66 3.835 -8.733 3.270 1.00 0.00 H new ATOM 0 HG11 VAL A 66 3.991 -6.667 1.928 1.00 0.00 H new ATOM 0 HG12 VAL A 66 2.452 -7.523 1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 66 2.499 -6.069 2.694 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.154 -6.829 4.066 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.738 -6.237 4.968 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.483 -7.794 5.402 1.00 0.00 H new ATOM 966 N VAL A 67 1.830 -10.437 3.269 1.00 0.00 N ATOM 967 CA VAL A 67 1.299 -11.469 2.378 1.00 0.00 C ATOM 968 C VAL A 67 -0.146 -11.768 2.714 1.00 0.00 C ATOM 969 O VAL A 67 -0.979 -11.911 1.823 1.00 0.00 O ATOM 970 CB VAL A 67 2.146 -12.768 2.436 1.00 0.00 C ATOM 971 CG1 VAL A 67 1.544 -13.869 1.566 1.00 0.00 C ATOM 972 CG2 VAL A 67 3.562 -12.478 1.988 1.00 0.00 C ATOM 0 H VAL A 67 2.637 -10.737 3.817 1.00 0.00 H new ATOM 0 HA VAL A 67 1.353 -11.083 1.360 1.00 0.00 H new ATOM 0 HB VAL A 67 2.151 -13.119 3.468 1.00 0.00 H new ATOM 0 HG11 VAL A 67 2.163 -14.764 1.631 1.00 0.00 H new ATOM 0 HG12 VAL A 67 0.537 -14.099 1.915 1.00 0.00 H new ATOM 0 HG13 VAL A 67 1.501 -13.532 0.530 1.00 0.00 H new ATOM 0 HG21 VAL A 67 4.152 -13.394 2.031 1.00 0.00 H new ATOM 0 HG22 VAL A 67 3.550 -12.102 0.965 1.00 0.00 H new ATOM 0 HG23 VAL A 67 4.005 -11.730 2.645 1.00 0.00 H new ATOM 982 N ASP A 68 -0.431 -11.819 4.003 1.00 0.00 N ATOM 983 CA ASP A 68 -1.773 -12.027 4.520 1.00 0.00 C ATOM 984 C ASP A 68 -2.753 -11.044 3.906 1.00 0.00 C ATOM 985 O ASP A 68 -3.690 -11.438 3.246 1.00 0.00 O ATOM 986 CB ASP A 68 -1.770 -11.887 6.050 1.00 0.00 C ATOM 987 CG ASP A 68 -3.146 -11.923 6.671 1.00 0.00 C ATOM 988 OD1 ASP A 68 -3.760 -13.010 6.738 1.00 0.00 O ATOM 989 OD2 ASP A 68 -3.614 -10.862 7.161 1.00 0.00 O ATOM 0 H ASP A 68 0.275 -11.715 4.732 1.00 0.00 H new ATOM 0 HA ASP A 68 -2.092 -13.034 4.251 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -1.168 -12.689 6.477 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -1.286 -10.948 6.318 1.00 0.00 H new ATOM 994 N LYS A 69 -2.461 -9.770 4.043 1.00 0.00 N ATOM 995 CA LYS A 69 -3.357 -8.701 3.574 1.00 0.00 C ATOM 996 C LYS A 69 -3.485 -8.745 2.061 1.00 0.00 C ATOM 997 O LYS A 69 -4.592 -8.616 1.518 1.00 0.00 O ATOM 998 CB LYS A 69 -2.801 -7.329 3.974 1.00 0.00 C ATOM 999 CG LYS A 69 -2.407 -7.194 5.432 1.00 0.00 C ATOM 1000 CD LYS A 69 -3.577 -7.419 6.343 1.00 0.00 C ATOM 1001 CE LYS A 69 -3.162 -7.486 7.787 1.00 0.00 C ATOM 1002 NZ LYS A 69 -2.296 -8.659 8.056 1.00 0.00 N ATOM 0 H LYS A 69 -1.603 -9.432 4.479 1.00 0.00 H new ATOM 0 HA LYS A 69 -4.334 -8.854 4.033 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -1.929 -7.114 3.357 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -3.549 -6.570 3.744 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -1.620 -7.912 5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -1.994 -6.201 5.608 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -4.300 -6.614 6.210 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -4.079 -8.346 6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -2.631 -6.573 8.056 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -4.049 -7.536 8.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -2.410 -8.955 9.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -2.567 -9.442 7.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -1.303 -8.404 7.883 1.00 0.00 H new ATOM 1016 N ALA A 70 -2.351 -8.941 1.403 1.00 0.00 N ATOM 1017 CA ALA A 70 -2.276 -8.993 -0.040 1.00 0.00 C ATOM 1018 C ALA A 70 -3.119 -10.131 -0.590 1.00 0.00 C ATOM 1019 O ALA A 70 -3.778 -9.982 -1.614 1.00 0.00 O ATOM 1020 CB ALA A 70 -0.827 -9.130 -0.485 1.00 0.00 C ATOM 0 H ALA A 70 -1.451 -9.069 1.866 1.00 0.00 H new ATOM 0 HA ALA A 70 -2.677 -8.061 -0.439 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.783 -9.168 -1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -0.254 -8.274 -0.128 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -0.405 -10.046 -0.072 1.00 0.00 H new ATOM 1026 N LYS A 71 -3.109 -11.241 0.111 1.00 0.00 N ATOM 1027 CA LYS A 71 -3.842 -12.414 -0.285 1.00 0.00 C ATOM 1028 C LYS A 71 -5.326 -12.300 0.080 1.00 0.00 C ATOM 1029 O LYS A 71 -6.186 -12.470 -0.787 1.00 0.00 O ATOM 1030 CB LYS A 71 -3.219 -13.653 0.361 1.00 0.00 C ATOM 1031 CG LYS A 71 -3.899 -14.957 -0.005 1.00 0.00 C ATOM 1032 CD LYS A 71 -3.226 -16.161 0.659 1.00 0.00 C ATOM 1033 CE LYS A 71 -1.770 -16.349 0.211 1.00 0.00 C ATOM 1034 NZ LYS A 71 -1.647 -16.671 -1.230 1.00 0.00 N ATOM 0 H LYS A 71 -2.586 -11.353 0.980 1.00 0.00 H new ATOM 0 HA LYS A 71 -3.782 -12.507 -1.369 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -2.170 -13.710 0.071 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.245 -13.535 1.444 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.946 -14.916 0.295 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -3.882 -15.083 -1.088 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -3.255 -16.037 1.742 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -3.793 -17.063 0.426 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -1.209 -15.439 0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.315 -17.148 0.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -0.650 -16.853 -1.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.213 -17.516 -1.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -1.992 -15.869 -1.796 1.00 0.00 H new ATOM 1048 N VAL A 72 -5.616 -11.984 1.349 1.00 0.00 N ATOM 1049 CA VAL A 72 -7.003 -11.909 1.847 1.00 0.00 C ATOM 1050 C VAL A 72 -7.822 -10.916 1.044 1.00 0.00 C ATOM 1051 O VAL A 72 -8.840 -11.271 0.449 1.00 0.00 O ATOM 1052 CB VAL A 72 -7.088 -11.499 3.356 1.00 0.00 C ATOM 1053 CG1 VAL A 72 -8.528 -11.446 3.826 1.00 0.00 C ATOM 1054 CG2 VAL A 72 -6.303 -12.438 4.237 1.00 0.00 C ATOM 0 H VAL A 72 -4.909 -11.775 2.054 1.00 0.00 H new ATOM 0 HA VAL A 72 -7.405 -12.916 1.734 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.649 -10.505 3.437 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -8.557 -11.159 4.877 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -9.077 -10.714 3.234 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -8.987 -12.427 3.705 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -6.388 -12.119 5.276 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -6.698 -13.449 4.135 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.255 -12.426 3.938 1.00 0.00 H new ATOM 1064 N LEU A 73 -7.369 -9.685 1.002 1.00 0.00 N ATOM 1065 CA LEU A 73 -8.108 -8.652 0.323 1.00 0.00 C ATOM 1066 C LEU A 73 -7.896 -8.743 -1.206 1.00 0.00 C ATOM 1067 O LEU A 73 -8.672 -8.188 -1.974 1.00 0.00 O ATOM 1068 CB LEU A 73 -7.692 -7.275 0.904 1.00 0.00 C ATOM 1069 CG LEU A 73 -8.714 -6.112 0.830 1.00 0.00 C ATOM 1070 CD1 LEU A 73 -8.886 -5.553 -0.573 1.00 0.00 C ATOM 1071 CD2 LEU A 73 -10.052 -6.568 1.380 1.00 0.00 C ATOM 0 H LEU A 73 -6.495 -9.377 1.429 1.00 0.00 H new ATOM 0 HA LEU A 73 -9.177 -8.782 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.429 -7.421 1.952 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -6.786 -6.956 0.389 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.315 -5.301 1.439 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -9.615 -4.742 -0.555 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -7.930 -5.173 -0.933 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -9.237 -6.342 -1.238 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -10.767 -5.747 1.326 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -10.420 -7.409 0.792 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -9.932 -6.877 2.418 1.00 0.00 H new ATOM 1083 N SER A 74 -6.908 -9.534 -1.627 1.00 0.00 N ATOM 1084 CA SER A 74 -6.500 -9.649 -3.030 1.00 0.00 C ATOM 1085 C SER A 74 -6.164 -8.280 -3.635 1.00 0.00 C ATOM 1086 O SER A 74 -6.959 -7.665 -4.382 1.00 0.00 O ATOM 1087 CB SER A 74 -7.474 -10.506 -3.895 1.00 0.00 C ATOM 1088 OG SER A 74 -8.839 -10.089 -3.766 1.00 0.00 O ATOM 0 H SER A 74 -6.361 -10.120 -0.996 1.00 0.00 H new ATOM 0 HA SER A 74 -5.572 -10.221 -3.041 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.176 -10.442 -4.942 1.00 0.00 H new ATOM 0 HB3 SER A 74 -7.389 -11.553 -3.602 1.00 0.00 H new ATOM 0 HG SER A 74 -8.869 -9.162 -3.449 1.00 0.00 H new ATOM 1094 N LEU A 75 -5.023 -7.783 -3.219 1.00 0.00 N ATOM 1095 CA LEU A 75 -4.533 -6.483 -3.600 1.00 0.00 C ATOM 1096 C LEU A 75 -3.887 -6.504 -4.958 1.00 0.00 C ATOM 1097 O LEU A 75 -3.903 -7.521 -5.665 1.00 0.00 O ATOM 1098 CB LEU A 75 -3.529 -5.996 -2.567 1.00 0.00 C ATOM 1099 CG LEU A 75 -4.055 -5.888 -1.154 1.00 0.00 C ATOM 1100 CD1 LEU A 75 -2.969 -5.418 -0.230 1.00 0.00 C ATOM 1101 CD2 LEU A 75 -5.240 -4.950 -1.111 1.00 0.00 C ATOM 0 H LEU A 75 -4.396 -8.285 -2.591 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.385 -5.805 -3.646 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.675 -6.673 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.161 -5.018 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.384 -6.873 -0.822 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -3.361 -5.344 0.784 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -2.142 -6.128 -0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.614 -4.440 -0.554 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.611 -4.879 -0.089 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.935 -3.962 -1.455 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -6.030 -5.332 -1.758 1.00 0.00 H new ATOM 1113 N ALA A 76 -3.317 -5.388 -5.320 1.00 0.00 N ATOM 1114 CA ALA A 76 -2.691 -5.261 -6.583 1.00 0.00 C ATOM 1115 C ALA A 76 -1.307 -4.728 -6.407 1.00 0.00 C ATOM 1116 O ALA A 76 -0.408 -5.104 -7.119 1.00 0.00 O ATOM 1117 CB ALA A 76 -3.507 -4.397 -7.489 1.00 0.00 C ATOM 0 H ALA A 76 -3.280 -4.549 -4.741 1.00 0.00 H new ATOM 0 HA ALA A 76 -2.619 -6.242 -7.052 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.010 -4.311 -8.455 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -4.492 -4.842 -7.626 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.615 -3.406 -7.047 1.00 0.00 H new ATOM 1123 N ALA A 77 -1.142 -3.809 -5.477 1.00 0.00 N ATOM 1124 CA ALA A 77 0.163 -3.333 -5.126 1.00 0.00 C ATOM 1125 C ALA A 77 0.244 -3.029 -3.648 1.00 0.00 C ATOM 1126 O ALA A 77 -0.783 -2.850 -2.983 1.00 0.00 O ATOM 1127 CB ALA A 77 0.512 -2.112 -5.922 1.00 0.00 C ATOM 0 H ALA A 77 -1.905 -3.381 -4.953 1.00 0.00 H new ATOM 0 HA ALA A 77 0.881 -4.119 -5.358 1.00 0.00 H new ATOM 0 HB1 ALA A 77 1.507 -1.766 -5.641 1.00 0.00 H new ATOM 0 HB2 ALA A 77 0.499 -2.354 -6.985 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -0.216 -1.326 -5.721 1.00 0.00 H new ATOM 1133 N VAL A 78 1.446 -2.993 -3.149 1.00 0.00 N ATOM 1134 CA VAL A 78 1.727 -2.669 -1.754 1.00 0.00 C ATOM 1135 C VAL A 78 3.038 -1.882 -1.668 1.00 0.00 C ATOM 1136 O VAL A 78 3.978 -2.146 -2.417 1.00 0.00 O ATOM 1137 CB VAL A 78 1.807 -3.944 -0.882 1.00 0.00 C ATOM 1138 CG1 VAL A 78 2.849 -4.896 -1.448 1.00 0.00 C ATOM 1139 CG2 VAL A 78 2.127 -3.603 0.574 1.00 0.00 C ATOM 0 H VAL A 78 2.282 -3.189 -3.699 1.00 0.00 H new ATOM 0 HA VAL A 78 0.909 -2.060 -1.370 1.00 0.00 H new ATOM 0 HB VAL A 78 0.832 -4.431 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 78 2.899 -5.791 -0.828 1.00 0.00 H new ATOM 0 HG12 VAL A 78 2.573 -5.174 -2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 78 3.823 -4.406 -1.457 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.176 -4.521 1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 78 3.086 -3.088 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.347 -2.957 0.976 1.00 0.00 H new ATOM 1149 N GLN A 79 3.060 -0.858 -0.861 1.00 0.00 N ATOM 1150 CA GLN A 79 4.182 -0.056 -0.682 1.00 0.00 C ATOM 1151 C GLN A 79 4.819 -0.383 0.590 1.00 0.00 C ATOM 1152 O GLN A 79 4.252 -0.156 1.668 1.00 0.00 O ATOM 1153 CB GLN A 79 3.822 1.405 -0.695 1.00 0.00 C ATOM 1154 CG GLN A 79 3.617 2.000 -2.048 1.00 0.00 C ATOM 1155 CD GLN A 79 2.358 1.542 -2.708 1.00 0.00 C ATOM 1156 OE1 GLN A 79 1.339 2.177 -2.586 1.00 0.00 O ATOM 1157 NE2 GLN A 79 2.406 0.400 -3.371 1.00 0.00 N ATOM 0 H GLN A 79 2.257 -0.570 -0.302 1.00 0.00 H new ATOM 0 HA GLN A 79 4.868 -0.247 -1.508 1.00 0.00 H new ATOM 0 HB2 GLN A 79 2.910 1.543 -0.114 1.00 0.00 H new ATOM 0 HB3 GLN A 79 4.610 1.961 -0.188 1.00 0.00 H new ATOM 0 HG2 GLN A 79 3.599 3.086 -1.961 1.00 0.00 H new ATOM 0 HG3 GLN A 79 4.466 1.745 -2.682 1.00 0.00 H new ATOM 0 HE21 GLN A 79 3.288 -0.106 -3.451 1.00 0.00 H new ATOM 0 HE22 GLN A 79 1.561 0.025 -3.803 1.00 0.00 H new ATOM 1166 N LEU A 80 5.955 -0.934 0.486 1.00 0.00 N ATOM 1167 CA LEU A 80 6.714 -1.247 1.663 1.00 0.00 C ATOM 1168 C LEU A 80 7.602 -0.084 1.978 1.00 0.00 C ATOM 1169 O LEU A 80 8.254 0.460 1.069 1.00 0.00 O ATOM 1170 CB LEU A 80 7.563 -2.534 1.514 1.00 0.00 C ATOM 1171 CG LEU A 80 6.825 -3.888 1.434 1.00 0.00 C ATOM 1172 CD1 LEU A 80 5.881 -4.081 2.614 1.00 0.00 C ATOM 1173 CD2 LEU A 80 6.104 -4.076 0.107 1.00 0.00 C ATOM 0 H LEU A 80 6.400 -1.187 -0.396 1.00 0.00 H new ATOM 0 HA LEU A 80 6.010 -1.436 2.474 1.00 0.00 H new ATOM 0 HB2 LEU A 80 8.169 -2.431 0.614 1.00 0.00 H new ATOM 0 HB3 LEU A 80 8.251 -2.579 2.358 1.00 0.00 H new ATOM 0 HG LEU A 80 7.588 -4.665 1.490 1.00 0.00 H new ATOM 0 HD11 LEU A 80 5.379 -5.044 2.524 1.00 0.00 H new ATOM 0 HD12 LEU A 80 6.450 -4.053 3.543 1.00 0.00 H new ATOM 0 HD13 LEU A 80 5.138 -3.284 2.620 1.00 0.00 H new ATOM 0 HD21 LEU A 80 5.601 -5.043 0.100 1.00 0.00 H new ATOM 0 HD22 LEU A 80 5.368 -3.283 -0.023 1.00 0.00 H new ATOM 0 HD23 LEU A 80 6.826 -4.037 -0.708 1.00 0.00 H new ATOM 1185 N HIS A 81 7.585 0.358 3.220 1.00 0.00 N ATOM 1186 CA HIS A 81 8.492 1.403 3.626 1.00 0.00 C ATOM 1187 C HIS A 81 9.899 0.858 3.674 1.00 0.00 C ATOM 1188 O HIS A 81 10.277 0.123 4.599 1.00 0.00 O ATOM 1189 CB HIS A 81 8.105 2.084 4.949 1.00 0.00 C ATOM 1190 CG HIS A 81 6.891 2.971 4.861 1.00 0.00 C ATOM 1191 ND1 HIS A 81 5.608 2.735 5.219 1.00 0.00 N flip ATOM 1192 CD2 HIS A 81 6.917 4.270 4.393 1.00 0.00 C flip ATOM 1193 CE1 HIS A 81 4.846 3.875 4.980 1.00 0.00 C flip ATOM 1194 NE2 HIS A 81 5.683 4.767 4.481 1.00 0.00 N flip ATOM 0 H HIS A 81 6.963 0.014 3.952 1.00 0.00 H new ATOM 0 HA HIS A 81 8.429 2.192 2.876 1.00 0.00 H new ATOM 0 HB2 HIS A 81 7.924 1.315 5.700 1.00 0.00 H new ATOM 0 HB3 HIS A 81 8.949 2.678 5.298 1.00 0.00 H new ATOM 0 HD2 HIS A 81 7.786 4.792 4.021 1.00 0.00 H new ATOM 0 HE1 HIS A 81 3.790 4.004 5.164 1.00 0.00 H new ATOM 0 HE2 HIS A 81 5.420 5.712 4.200 1.00 0.00 H new ATOM 1202 N GLY A 82 10.653 1.219 2.653 1.00 0.00 N ATOM 1203 CA GLY A 82 11.998 0.745 2.437 1.00 0.00 C ATOM 1204 C GLY A 82 12.919 0.961 3.596 1.00 0.00 C ATOM 1205 O GLY A 82 13.805 0.156 3.836 1.00 0.00 O ATOM 0 H GLY A 82 10.334 1.868 1.934 1.00 0.00 H new ATOM 0 HA2 GLY A 82 11.963 -0.320 2.209 1.00 0.00 H new ATOM 0 HA3 GLY A 82 12.411 1.245 1.561 1.00 0.00 H new ATOM 1209 N ASN A 83 12.680 2.030 4.323 1.00 0.00 N ATOM 1210 CA ASN A 83 13.481 2.444 5.487 1.00 0.00 C ATOM 1211 C ASN A 83 13.740 1.294 6.480 1.00 0.00 C ATOM 1212 O ASN A 83 14.740 1.308 7.212 1.00 0.00 O ATOM 1213 CB ASN A 83 12.796 3.626 6.189 1.00 0.00 C ATOM 1214 CG ASN A 83 13.529 4.117 7.431 1.00 0.00 C ATOM 1215 OD1 ASN A 83 13.256 3.676 8.549 1.00 0.00 O ATOM 1216 ND2 ASN A 83 14.437 5.021 7.253 1.00 0.00 N ATOM 0 H ASN A 83 11.904 2.663 4.127 1.00 0.00 H new ATOM 0 HA ASN A 83 14.459 2.751 5.117 1.00 0.00 H new ATOM 0 HB2 ASN A 83 12.705 4.452 5.483 1.00 0.00 H new ATOM 0 HB3 ASN A 83 11.784 3.333 6.469 1.00 0.00 H new ATOM 0 HD21 ASN A 83 14.952 5.391 8.052 1.00 0.00 H new ATOM 0 HD22 ASN A 83 14.638 5.364 6.314 1.00 0.00 H new ATOM 1223 N GLU A 84 12.854 0.302 6.490 1.00 0.00 N ATOM 1224 CA GLU A 84 12.966 -0.801 7.393 1.00 0.00 C ATOM 1225 C GLU A 84 14.215 -1.657 7.090 1.00 0.00 C ATOM 1226 O GLU A 84 15.007 -1.942 8.000 1.00 0.00 O ATOM 1227 CB GLU A 84 11.676 -1.623 7.379 1.00 0.00 C ATOM 1228 CG GLU A 84 11.530 -2.530 8.581 1.00 0.00 C ATOM 1229 CD GLU A 84 11.736 -1.764 9.874 1.00 0.00 C ATOM 1230 OE1 GLU A 84 10.985 -0.816 10.159 1.00 0.00 O ATOM 1231 OE2 GLU A 84 12.705 -2.057 10.598 1.00 0.00 O ATOM 0 H GLU A 84 12.047 0.255 5.868 1.00 0.00 H new ATOM 0 HA GLU A 84 13.102 -0.414 8.403 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.823 -0.946 7.338 1.00 0.00 H new ATOM 0 HB3 GLU A 84 11.648 -2.227 6.472 1.00 0.00 H new ATOM 0 HG2 GLU A 84 10.539 -2.985 8.579 1.00 0.00 H new ATOM 0 HG3 GLU A 84 12.254 -3.342 8.517 1.00 0.00 H new ATOM 1238 N GLU A 85 14.423 -1.994 5.820 1.00 0.00 N ATOM 1239 CA GLU A 85 15.547 -2.800 5.369 1.00 0.00 C ATOM 1240 C GLU A 85 15.418 -2.911 3.842 1.00 0.00 C ATOM 1241 O GLU A 85 14.317 -2.916 3.348 1.00 0.00 O ATOM 1242 CB GLU A 85 15.472 -4.171 6.056 1.00 0.00 C ATOM 1243 CG GLU A 85 16.775 -4.929 6.121 1.00 0.00 C ATOM 1244 CD GLU A 85 17.152 -5.598 4.845 1.00 0.00 C ATOM 1245 OE1 GLU A 85 16.591 -6.661 4.550 1.00 0.00 O ATOM 1246 OE2 GLU A 85 17.995 -5.054 4.101 1.00 0.00 O ATOM 0 H GLU A 85 13.802 -1.708 5.064 1.00 0.00 H new ATOM 0 HA GLU A 85 16.513 -2.362 5.621 1.00 0.00 H new ATOM 0 HB2 GLU A 85 15.100 -4.031 7.071 1.00 0.00 H new ATOM 0 HB3 GLU A 85 14.740 -4.784 5.530 1.00 0.00 H new ATOM 0 HG2 GLU A 85 17.570 -4.240 6.407 1.00 0.00 H new ATOM 0 HG3 GLU A 85 16.707 -5.681 6.907 1.00 0.00 H new ATOM 1253 N GLN A 86 16.523 -3.007 3.121 1.00 0.00 N ATOM 1254 CA GLN A 86 16.541 -2.976 1.681 1.00 0.00 C ATOM 1255 C GLN A 86 16.118 -4.293 1.078 1.00 0.00 C ATOM 1256 O GLN A 86 15.266 -4.361 0.184 1.00 0.00 O ATOM 1257 CB GLN A 86 17.954 -2.652 1.178 1.00 0.00 C ATOM 1258 CG GLN A 86 18.483 -1.250 1.489 1.00 0.00 C ATOM 1259 CD GLN A 86 18.811 -1.019 2.952 1.00 0.00 C ATOM 1260 OE1 GLN A 86 19.301 -2.041 3.628 1.00 0.00 O flip ATOM 1261 NE2 GLN A 86 18.670 0.092 3.456 1.00 0.00 N flip ATOM 0 H GLN A 86 17.449 -3.111 3.537 1.00 0.00 H new ATOM 0 HA GLN A 86 15.833 -2.206 1.374 1.00 0.00 H new ATOM 0 HB2 GLN A 86 18.644 -3.380 1.605 1.00 0.00 H new ATOM 0 HB3 GLN A 86 17.972 -2.792 0.097 1.00 0.00 H new ATOM 0 HG2 GLN A 86 19.379 -1.072 0.895 1.00 0.00 H new ATOM 0 HG3 GLN A 86 17.741 -0.516 1.174 1.00 0.00 H new ATOM 0 HE21 GLN A 86 18.288 0.858 2.902 1.00 0.00 H new ATOM 0 HE22 GLN A 86 18.935 0.248 4.428 1.00 0.00 H new ATOM 1270 N LEU A 87 16.676 -5.323 1.610 1.00 0.00 N ATOM 1271 CA LEU A 87 16.561 -6.656 1.071 1.00 0.00 C ATOM 1272 C LEU A 87 15.241 -7.259 1.454 1.00 0.00 C ATOM 1273 O LEU A 87 14.739 -8.191 0.805 1.00 0.00 O ATOM 1274 CB LEU A 87 17.713 -7.482 1.577 1.00 0.00 C ATOM 1275 CG LEU A 87 19.069 -6.887 1.257 1.00 0.00 C ATOM 1276 CD1 LEU A 87 20.164 -7.584 2.026 1.00 0.00 C ATOM 1277 CD2 LEU A 87 19.346 -6.937 -0.233 1.00 0.00 C ATOM 0 H LEU A 87 17.244 -5.273 2.456 1.00 0.00 H new ATOM 0 HA LEU A 87 16.600 -6.626 -0.018 1.00 0.00 H new ATOM 0 HB2 LEU A 87 17.621 -7.597 2.657 1.00 0.00 H new ATOM 0 HB3 LEU A 87 17.652 -8.480 1.144 1.00 0.00 H new ATOM 0 HG LEU A 87 19.053 -5.842 1.565 1.00 0.00 H new ATOM 0 HD11 LEU A 87 21.126 -7.136 1.776 1.00 0.00 H new ATOM 0 HD12 LEU A 87 19.981 -7.479 3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 87 20.177 -8.642 1.763 1.00 0.00 H new ATOM 0 HD21 LEU A 87 20.325 -6.504 -0.436 1.00 0.00 H new ATOM 0 HD22 LEU A 87 19.330 -7.973 -0.571 1.00 0.00 H new ATOM 0 HD23 LEU A 87 18.582 -6.370 -0.764 1.00 0.00 H new ATOM 1289 N TYR A 88 14.682 -6.711 2.508 1.00 0.00 N ATOM 1290 CA TYR A 88 13.367 -7.037 2.984 1.00 0.00 C ATOM 1291 C TYR A 88 12.349 -6.919 1.859 1.00 0.00 C ATOM 1292 O TYR A 88 11.566 -7.835 1.635 1.00 0.00 O ATOM 1293 CB TYR A 88 13.005 -6.116 4.165 1.00 0.00 C ATOM 1294 CG TYR A 88 11.581 -6.224 4.639 1.00 0.00 C ATOM 1295 CD1 TYR A 88 11.010 -7.464 4.902 1.00 0.00 C ATOM 1296 CD2 TYR A 88 10.804 -5.084 4.815 1.00 0.00 C ATOM 1297 CE1 TYR A 88 9.708 -7.579 5.319 1.00 0.00 C ATOM 1298 CE2 TYR A 88 9.489 -5.186 5.241 1.00 0.00 C ATOM 1299 CZ TYR A 88 8.946 -6.443 5.491 1.00 0.00 C ATOM 1300 OH TYR A 88 7.639 -6.566 5.894 1.00 0.00 O ATOM 0 H TYR A 88 15.150 -6.003 3.073 1.00 0.00 H new ATOM 0 HA TYR A 88 13.353 -8.070 3.332 1.00 0.00 H new ATOM 0 HB2 TYR A 88 13.669 -6.342 5.000 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.199 -5.083 3.874 1.00 0.00 H new ATOM 0 HD1 TYR A 88 11.605 -8.357 4.775 1.00 0.00 H new ATOM 0 HD2 TYR A 88 11.229 -4.111 4.618 1.00 0.00 H new ATOM 0 HE1 TYR A 88 9.283 -8.553 5.511 1.00 0.00 H new ATOM 0 HE2 TYR A 88 8.891 -4.297 5.378 1.00 0.00 H new ATOM 0 HH TYR A 88 7.402 -5.809 6.469 1.00 0.00 H new ATOM 1310 N ILE A 89 12.443 -5.847 1.088 1.00 0.00 N ATOM 1311 CA ILE A 89 11.499 -5.585 0.007 1.00 0.00 C ATOM 1312 C ILE A 89 11.606 -6.657 -1.047 1.00 0.00 C ATOM 1313 O ILE A 89 10.603 -7.120 -1.595 1.00 0.00 O ATOM 1314 CB ILE A 89 11.693 -4.168 -0.646 1.00 0.00 C ATOM 1315 CG1 ILE A 89 11.197 -3.051 0.259 1.00 0.00 C ATOM 1316 CG2 ILE A 89 11.007 -4.058 -1.993 1.00 0.00 C ATOM 1317 CD1 ILE A 89 12.099 -2.754 1.388 1.00 0.00 C ATOM 0 H ILE A 89 13.169 -5.138 1.190 1.00 0.00 H new ATOM 0 HA ILE A 89 10.503 -5.597 0.449 1.00 0.00 H new ATOM 0 HB ILE A 89 12.767 -4.056 -0.791 1.00 0.00 H new ATOM 0 HG12 ILE A 89 11.064 -2.147 -0.335 1.00 0.00 H new ATOM 0 HG13 ILE A 89 10.217 -3.322 0.651 1.00 0.00 H new ATOM 0 HG21 ILE A 89 11.170 -3.062 -2.404 1.00 0.00 H new ATOM 0 HG22 ILE A 89 11.420 -4.803 -2.673 1.00 0.00 H new ATOM 0 HG23 ILE A 89 9.938 -4.230 -1.872 1.00 0.00 H new ATOM 0 HD11 ILE A 89 11.678 -1.947 1.988 1.00 0.00 H new ATOM 0 HD12 ILE A 89 12.213 -3.644 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 89 13.073 -2.451 1.005 1.00 0.00 H new ATOM 1329 N ASP A 90 12.807 -7.108 -1.270 1.00 0.00 N ATOM 1330 CA ASP A 90 13.040 -8.081 -2.303 1.00 0.00 C ATOM 1331 C ASP A 90 12.614 -9.458 -1.846 1.00 0.00 C ATOM 1332 O ASP A 90 12.356 -10.353 -2.648 1.00 0.00 O ATOM 1333 CB ASP A 90 14.476 -8.070 -2.732 1.00 0.00 C ATOM 1334 CG ASP A 90 14.628 -8.771 -4.068 1.00 0.00 C ATOM 1335 OD1 ASP A 90 14.063 -8.272 -5.069 1.00 0.00 O ATOM 1336 OD2 ASP A 90 15.246 -9.845 -4.135 1.00 0.00 O ATOM 0 H ASP A 90 13.638 -6.820 -0.754 1.00 0.00 H new ATOM 0 HA ASP A 90 12.434 -7.814 -3.169 1.00 0.00 H new ATOM 0 HB2 ASP A 90 14.832 -7.043 -2.809 1.00 0.00 H new ATOM 0 HB3 ASP A 90 15.091 -8.565 -1.981 1.00 0.00 H new ATOM 1341 N THR A 91 12.473 -9.573 -0.560 1.00 0.00 N ATOM 1342 CA THR A 91 12.052 -10.770 0.077 1.00 0.00 C ATOM 1343 C THR A 91 10.535 -10.876 -0.063 1.00 0.00 C ATOM 1344 O THR A 91 10.003 -11.949 -0.344 1.00 0.00 O ATOM 1345 CB THR A 91 12.472 -10.746 1.557 1.00 0.00 C ATOM 1346 OG1 THR A 91 13.910 -10.697 1.663 1.00 0.00 O ATOM 1347 CG2 THR A 91 11.942 -11.940 2.288 1.00 0.00 C ATOM 0 H THR A 91 12.655 -8.808 0.090 1.00 0.00 H new ATOM 0 HA THR A 91 12.519 -11.639 -0.387 1.00 0.00 H new ATOM 0 HB THR A 91 12.048 -9.853 2.016 1.00 0.00 H new ATOM 0 HG1 THR A 91 14.230 -9.821 1.364 1.00 0.00 H new ATOM 0 HG21 THR A 91 12.255 -11.896 3.331 1.00 0.00 H new ATOM 0 HG22 THR A 91 10.853 -11.945 2.235 1.00 0.00 H new ATOM 0 HG23 THR A 91 12.332 -12.849 1.830 1.00 0.00 H new ATOM 1355 N LEU A 92 9.845 -9.733 0.132 1.00 0.00 N ATOM 1356 CA LEU A 92 8.402 -9.628 -0.114 1.00 0.00 C ATOM 1357 C LEU A 92 7.987 -10.288 -1.403 1.00 0.00 C ATOM 1358 O LEU A 92 7.052 -11.064 -1.394 1.00 0.00 O ATOM 1359 CB LEU A 92 7.857 -8.185 -0.103 1.00 0.00 C ATOM 1360 CG LEU A 92 7.466 -7.574 1.238 1.00 0.00 C ATOM 1361 CD1 LEU A 92 6.558 -8.493 1.976 1.00 0.00 C ATOM 1362 CD2 LEU A 92 8.652 -7.268 2.067 1.00 0.00 C ATOM 0 H LEU A 92 10.273 -8.868 0.461 1.00 0.00 H new ATOM 0 HA LEU A 92 7.962 -10.157 0.731 1.00 0.00 H new ATOM 0 HB2 LEU A 92 8.611 -7.541 -0.556 1.00 0.00 H new ATOM 0 HB3 LEU A 92 6.981 -8.155 -0.751 1.00 0.00 H new ATOM 0 HG LEU A 92 6.949 -6.637 1.034 1.00 0.00 H new ATOM 0 HD11 LEU A 92 6.286 -8.046 2.932 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.657 -8.666 1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 92 7.065 -9.442 2.151 1.00 0.00 H new ATOM 0 HD21 LEU A 92 8.332 -6.834 3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 92 9.209 -8.185 2.258 1.00 0.00 H new ATOM 0 HD23 LEU A 92 9.291 -6.559 1.541 1.00 0.00 H new ATOM 1374 N ARG A 93 8.718 -10.014 -2.505 1.00 0.00 N ATOM 1375 CA ARG A 93 8.376 -10.631 -3.827 1.00 0.00 C ATOM 1376 C ARG A 93 8.252 -12.146 -3.763 1.00 0.00 C ATOM 1377 O ARG A 93 7.435 -12.733 -4.448 1.00 0.00 O ATOM 1378 CB ARG A 93 9.385 -10.351 -4.956 1.00 0.00 C ATOM 1379 CG ARG A 93 9.437 -8.951 -5.469 1.00 0.00 C ATOM 1380 CD ARG A 93 10.314 -8.085 -4.633 1.00 0.00 C ATOM 1381 NE ARG A 93 10.192 -6.721 -5.055 1.00 0.00 N ATOM 1382 CZ ARG A 93 11.133 -5.816 -5.052 1.00 0.00 C ATOM 1383 NH1 ARG A 93 12.413 -6.143 -4.893 1.00 0.00 N ATOM 1384 NH2 ARG A 93 10.812 -4.575 -5.310 1.00 0.00 N ATOM 0 H ARG A 93 9.526 -9.391 -2.520 1.00 0.00 H new ATOM 0 HA ARG A 93 7.423 -10.153 -4.054 1.00 0.00 H new ATOM 0 HB2 ARG A 93 10.379 -10.621 -4.600 1.00 0.00 H new ATOM 0 HB3 ARG A 93 9.155 -11.012 -5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 93 9.803 -8.954 -6.496 1.00 0.00 H new ATOM 0 HG3 ARG A 93 8.430 -8.535 -5.490 1.00 0.00 H new ATOM 0 HD2 ARG A 93 10.037 -8.177 -3.583 1.00 0.00 H new ATOM 0 HD3 ARG A 93 11.351 -8.411 -4.719 1.00 0.00 H new ATOM 0 HE ARG A 93 9.276 -6.427 -5.393 1.00 0.00 H new ATOM 0 HH11 ARG A 93 12.678 -7.120 -4.770 1.00 0.00 H new ATOM 0 HH12 ARG A 93 13.129 -5.416 -4.895 1.00 0.00 H new ATOM 0 HH21 ARG A 93 9.842 -4.330 -5.508 1.00 0.00 H new ATOM 0 HH22 ARG A 93 11.532 -3.852 -5.313 1.00 0.00 H new ATOM 1398 N GLU A 94 9.029 -12.756 -2.906 1.00 0.00 N ATOM 1399 CA GLU A 94 9.173 -14.200 -2.886 1.00 0.00 C ATOM 1400 C GLU A 94 7.965 -14.866 -2.273 1.00 0.00 C ATOM 1401 O GLU A 94 7.602 -15.987 -2.640 1.00 0.00 O ATOM 1402 CB GLU A 94 10.444 -14.558 -2.151 1.00 0.00 C ATOM 1403 CG GLU A 94 11.624 -13.776 -2.691 1.00 0.00 C ATOM 1404 CD GLU A 94 12.930 -14.155 -2.073 1.00 0.00 C ATOM 1405 OE1 GLU A 94 13.446 -15.256 -2.378 1.00 0.00 O ATOM 1406 OE2 GLU A 94 13.491 -13.366 -1.307 1.00 0.00 O ATOM 0 H GLU A 94 9.583 -12.271 -2.200 1.00 0.00 H new ATOM 0 HA GLU A 94 9.241 -14.569 -3.909 1.00 0.00 H new ATOM 0 HB2 GLU A 94 10.323 -14.352 -1.087 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.636 -15.626 -2.249 1.00 0.00 H new ATOM 0 HG2 GLU A 94 11.685 -13.926 -3.769 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.450 -12.713 -2.527 1.00 0.00 H new ATOM 1413 N ALA A 95 7.329 -14.167 -1.386 1.00 0.00 N ATOM 1414 CA ALA A 95 6.129 -14.669 -0.740 1.00 0.00 C ATOM 1415 C ALA A 95 4.878 -14.004 -1.334 1.00 0.00 C ATOM 1416 O ALA A 95 3.735 -14.321 -0.979 1.00 0.00 O ATOM 1417 CB ALA A 95 6.216 -14.448 0.759 1.00 0.00 C ATOM 0 H ALA A 95 7.614 -13.236 -1.082 1.00 0.00 H new ATOM 0 HA ALA A 95 6.049 -15.741 -0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 95 5.312 -14.827 1.236 1.00 0.00 H new ATOM 0 HB2 ALA A 95 7.084 -14.976 1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 95 6.315 -13.382 0.965 1.00 0.00 H new ATOM 1423 N LEU A 96 5.113 -13.109 -2.260 1.00 0.00 N ATOM 1424 CA LEU A 96 4.074 -12.329 -2.898 1.00 0.00 C ATOM 1425 C LEU A 96 3.606 -13.051 -4.137 1.00 0.00 C ATOM 1426 O LEU A 96 4.431 -13.542 -4.923 1.00 0.00 O ATOM 1427 CB LEU A 96 4.651 -10.974 -3.290 1.00 0.00 C ATOM 1428 CG LEU A 96 3.663 -9.861 -3.558 1.00 0.00 C ATOM 1429 CD1 LEU A 96 2.950 -9.468 -2.269 1.00 0.00 C ATOM 1430 CD2 LEU A 96 4.374 -8.674 -4.154 1.00 0.00 C ATOM 0 H LEU A 96 6.050 -12.895 -2.601 1.00 0.00 H new ATOM 0 HA LEU A 96 3.234 -12.192 -2.217 1.00 0.00 H new ATOM 0 HB2 LEU A 96 5.322 -10.648 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.259 -11.110 -4.184 1.00 0.00 H new ATOM 0 HG LEU A 96 2.916 -10.213 -4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 96 2.241 -8.666 -2.475 1.00 0.00 H new ATOM 0 HD12 LEU A 96 2.416 -10.331 -1.871 1.00 0.00 H new ATOM 0 HD13 LEU A 96 3.682 -9.126 -1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 96 3.655 -7.877 -4.344 1.00 0.00 H new ATOM 0 HD22 LEU A 96 5.135 -8.319 -3.459 1.00 0.00 H new ATOM 0 HD23 LEU A 96 4.848 -8.966 -5.091 1.00 0.00 H new ATOM 1442 N PRO A 97 2.290 -13.167 -4.334 1.00 0.00 N ATOM 1443 CA PRO A 97 1.757 -13.792 -5.515 1.00 0.00 C ATOM 1444 C PRO A 97 1.976 -12.903 -6.739 1.00 0.00 C ATOM 1445 O PRO A 97 2.228 -11.691 -6.615 1.00 0.00 O ATOM 1446 CB PRO A 97 0.267 -13.959 -5.208 1.00 0.00 C ATOM 1447 CG PRO A 97 -0.034 -12.896 -4.222 1.00 0.00 C ATOM 1448 CD PRO A 97 1.225 -12.691 -3.426 1.00 0.00 C ATOM 0 HA PRO A 97 2.239 -14.742 -5.746 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -0.338 -13.847 -6.108 1.00 0.00 H new ATOM 0 HB3 PRO A 97 0.055 -14.948 -4.802 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -0.332 -11.975 -4.722 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -0.860 -13.189 -3.574 1.00 0.00 H new ATOM 0 HD2 PRO A 97 1.364 -11.644 -3.158 1.00 0.00 H new ATOM 0 HD3 PRO A 97 1.208 -13.258 -2.495 1.00 0.00 H new ATOM 1456 N ALA A 98 1.842 -13.500 -7.894 1.00 0.00 N ATOM 1457 CA ALA A 98 2.108 -12.866 -9.182 1.00 0.00 C ATOM 1458 C ALA A 98 1.300 -11.600 -9.388 1.00 0.00 C ATOM 1459 O ALA A 98 1.792 -10.623 -9.944 1.00 0.00 O ATOM 1460 CB ALA A 98 1.765 -13.834 -10.281 1.00 0.00 C ATOM 0 H ALA A 98 1.536 -14.469 -7.979 1.00 0.00 H new ATOM 0 HA ALA A 98 3.163 -12.594 -9.200 1.00 0.00 H new ATOM 0 HB1 ALA A 98 1.960 -13.370 -11.248 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.375 -14.731 -10.179 1.00 0.00 H new ATOM 0 HB3 ALA A 98 0.711 -14.103 -10.213 1.00 0.00 H new ATOM 1466 N HIS A 99 0.083 -11.620 -8.926 1.00 0.00 N ATOM 1467 CA HIS A 99 -0.829 -10.531 -9.158 1.00 0.00 C ATOM 1468 C HIS A 99 -0.630 -9.322 -8.237 1.00 0.00 C ATOM 1469 O HIS A 99 -1.170 -8.256 -8.519 1.00 0.00 O ATOM 1470 CB HIS A 99 -2.300 -11.011 -9.207 1.00 0.00 C ATOM 1471 CG HIS A 99 -2.725 -11.883 -8.075 1.00 0.00 C ATOM 1472 ND1 HIS A 99 -2.831 -11.595 -6.800 1.00 0.00 N flip ATOM 1473 CD2 HIS A 99 -3.110 -13.196 -8.207 1.00 0.00 C flip ATOM 1474 CE1 HIS A 99 -3.285 -12.704 -6.095 1.00 0.00 C flip ATOM 1475 NE2 HIS A 99 -3.438 -13.648 -6.999 1.00 0.00 N flip ATOM 0 H HIS A 99 -0.307 -12.388 -8.379 1.00 0.00 H new ATOM 0 HA HIS A 99 -0.576 -10.154 -10.149 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -2.949 -10.136 -9.233 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -2.457 -11.553 -10.140 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -3.141 -13.760 -9.127 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -3.472 -12.775 -5.034 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -3.763 -14.594 -6.801 1.00 0.00 H new ATOM 1483 N VAL A 100 0.134 -9.452 -7.148 1.00 0.00 N ATOM 1484 CA VAL A 100 0.356 -8.335 -6.325 1.00 0.00 C ATOM 1485 C VAL A 100 1.739 -7.753 -6.653 1.00 0.00 C ATOM 1486 O VAL A 100 2.692 -8.500 -6.933 1.00 0.00 O ATOM 1487 CB VAL A 100 0.249 -8.719 -4.835 1.00 0.00 C ATOM 1488 CG1 VAL A 100 0.466 -7.521 -3.986 1.00 0.00 C ATOM 1489 CG2 VAL A 100 -1.106 -9.330 -4.527 1.00 0.00 C ATOM 0 H VAL A 100 0.587 -10.316 -6.848 1.00 0.00 H new ATOM 0 HA VAL A 100 -0.408 -7.581 -6.514 1.00 0.00 H new ATOM 0 HB VAL A 100 1.018 -9.461 -4.618 1.00 0.00 H new ATOM 0 HG11 VAL A 100 0.389 -7.801 -2.935 1.00 0.00 H new ATOM 0 HG12 VAL A 100 1.457 -7.112 -4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.289 -6.769 -4.218 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -1.155 -9.592 -3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -1.891 -8.610 -4.760 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -1.246 -10.227 -5.130 1.00 0.00 H new ATOM 1499 N ALA A 101 1.833 -6.448 -6.668 1.00 0.00 N ATOM 1500 CA ALA A 101 3.047 -5.778 -6.976 1.00 0.00 C ATOM 1501 C ALA A 101 3.509 -4.993 -5.769 1.00 0.00 C ATOM 1502 O ALA A 101 2.792 -4.881 -4.781 1.00 0.00 O ATOM 1503 CB ALA A 101 2.843 -4.864 -8.172 1.00 0.00 C ATOM 0 H ALA A 101 1.053 -5.823 -6.463 1.00 0.00 H new ATOM 0 HA ALA A 101 3.815 -6.508 -7.232 1.00 0.00 H new ATOM 0 HB1 ALA A 101 3.778 -4.353 -8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 101 2.530 -5.455 -9.033 1.00 0.00 H new ATOM 0 HB3 ALA A 101 2.074 -4.127 -7.940 1.00 0.00 H new ATOM 1509 N ILE A 102 4.662 -4.427 -5.863 1.00 0.00 N ATOM 1510 CA ILE A 102 5.259 -3.690 -4.799 1.00 0.00 C ATOM 1511 C ILE A 102 5.667 -2.350 -5.325 1.00 0.00 C ATOM 1512 O ILE A 102 6.245 -2.267 -6.404 1.00 0.00 O ATOM 1513 CB ILE A 102 6.527 -4.399 -4.270 1.00 0.00 C ATOM 1514 CG1 ILE A 102 6.196 -5.698 -3.511 1.00 0.00 C ATOM 1515 CG2 ILE A 102 7.372 -3.434 -3.462 1.00 0.00 C ATOM 1516 CD1 ILE A 102 7.412 -6.540 -3.142 1.00 0.00 C ATOM 0 H ILE A 102 5.234 -4.464 -6.707 1.00 0.00 H new ATOM 0 HA ILE A 102 4.536 -3.604 -3.988 1.00 0.00 H new ATOM 0 HB ILE A 102 7.125 -4.714 -5.125 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.655 -5.444 -2.599 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.524 -6.300 -4.123 1.00 0.00 H new ATOM 0 HG21 ILE A 102 8.261 -3.947 -3.096 1.00 0.00 H new ATOM 0 HG22 ILE A 102 7.670 -2.596 -4.092 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.793 -3.064 -2.616 1.00 0.00 H new ATOM 0 HD11 ILE A 102 7.087 -7.435 -2.611 1.00 0.00 H new ATOM 0 HD12 ILE A 102 7.943 -6.829 -4.049 1.00 0.00 H new ATOM 0 HD13 ILE A 102 8.076 -5.959 -2.502 1.00 0.00 H new ATOM 1528 N TRP A 103 5.395 -1.314 -4.595 1.00 0.00 N ATOM 1529 CA TRP A 103 5.822 -0.003 -5.032 1.00 0.00 C ATOM 1530 C TRP A 103 6.681 0.598 -3.972 1.00 0.00 C ATOM 1531 O TRP A 103 6.667 0.147 -2.820 1.00 0.00 O ATOM 1532 CB TRP A 103 4.656 0.932 -5.307 1.00 0.00 C ATOM 1533 CG TRP A 103 3.687 0.485 -6.367 1.00 0.00 C ATOM 1534 CD1 TRP A 103 3.878 -0.452 -7.316 1.00 0.00 C ATOM 1535 CD2 TRP A 103 2.376 0.992 -6.573 1.00 0.00 C ATOM 1536 NE1 TRP A 103 2.773 -0.572 -8.101 1.00 0.00 N ATOM 1537 CE2 TRP A 103 1.827 0.311 -7.660 1.00 0.00 C ATOM 1538 CE3 TRP A 103 1.623 1.951 -5.931 1.00 0.00 C ATOM 1539 CZ2 TRP A 103 0.542 0.564 -8.122 1.00 0.00 C ATOM 1540 CZ3 TRP A 103 0.346 2.217 -6.383 1.00 0.00 C ATOM 1541 CH2 TRP A 103 -0.187 1.519 -7.471 1.00 0.00 C ATOM 0 H TRP A 103 4.890 -1.338 -3.709 1.00 0.00 H new ATOM 0 HA TRP A 103 6.368 -0.129 -5.967 1.00 0.00 H new ATOM 0 HB2 TRP A 103 4.105 1.077 -4.378 1.00 0.00 H new ATOM 0 HB3 TRP A 103 5.056 1.904 -5.595 1.00 0.00 H new ATOM 0 HD1 TRP A 103 4.783 -1.028 -7.437 1.00 0.00 H new ATOM 0 HE1 TRP A 103 2.668 -1.213 -8.887 1.00 0.00 H new ATOM 0 HE3 TRP A 103 2.027 2.488 -5.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 103 0.134 0.026 -8.965 1.00 0.00 H new ATOM 0 HZ3 TRP A 103 -0.248 2.973 -5.891 1.00 0.00 H new ATOM 0 HH2 TRP A 103 -1.191 1.738 -7.802 1.00 0.00 H new ATOM 1552 N LYS A 104 7.411 1.587 -4.340 1.00 0.00 N ATOM 1553 CA LYS A 104 8.252 2.267 -3.430 1.00 0.00 C ATOM 1554 C LYS A 104 7.604 3.550 -2.993 1.00 0.00 C ATOM 1555 O LYS A 104 7.345 4.437 -3.816 1.00 0.00 O ATOM 1556 CB LYS A 104 9.612 2.573 -4.065 1.00 0.00 C ATOM 1557 CG LYS A 104 10.482 3.503 -3.225 1.00 0.00 C ATOM 1558 CD LYS A 104 10.934 2.874 -1.928 1.00 0.00 C ATOM 1559 CE LYS A 104 11.546 3.916 -1.006 1.00 0.00 C ATOM 1560 NZ LYS A 104 12.572 4.748 -1.671 1.00 0.00 N ATOM 0 H LYS A 104 7.440 1.950 -5.293 1.00 0.00 H new ATOM 0 HA LYS A 104 8.408 1.622 -2.565 1.00 0.00 H new ATOM 0 HB2 LYS A 104 10.147 1.637 -4.228 1.00 0.00 H new ATOM 0 HB3 LYS A 104 9.453 3.024 -5.045 1.00 0.00 H new ATOM 0 HG2 LYS A 104 11.357 3.796 -3.805 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.925 4.414 -3.006 1.00 0.00 H new ATOM 0 HD2 LYS A 104 10.086 2.399 -1.435 1.00 0.00 H new ATOM 0 HD3 LYS A 104 11.664 2.091 -2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 104 10.756 4.562 -0.622 1.00 0.00 H new ATOM 0 HE3 LYS A 104 11.993 3.415 -0.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 13.170 5.203 -0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 13.162 4.149 -2.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 12.107 5.479 -2.247 1.00 0.00 H new ATOM 1574 N ALA A 105 7.308 3.627 -1.727 1.00 0.00 N ATOM 1575 CA ALA A 105 6.863 4.856 -1.126 1.00 0.00 C ATOM 1576 C ALA A 105 8.095 5.739 -1.001 1.00 0.00 C ATOM 1577 O ALA A 105 8.934 5.528 -0.127 1.00 0.00 O ATOM 1578 CB ALA A 105 6.248 4.580 0.243 1.00 0.00 C ATOM 0 H ALA A 105 7.368 2.840 -1.080 1.00 0.00 H new ATOM 0 HA ALA A 105 6.096 5.343 -1.728 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.915 5.518 0.688 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.396 3.909 0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 105 6.993 4.116 0.890 1.00 0.00 H new ATOM 1584 N LEU A 106 8.252 6.640 -1.926 1.00 0.00 N ATOM 1585 CA LEU A 106 9.434 7.451 -2.006 1.00 0.00 C ATOM 1586 C LEU A 106 9.315 8.587 -1.005 1.00 0.00 C ATOM 1587 O LEU A 106 8.512 9.509 -1.193 1.00 0.00 O ATOM 1588 CB LEU A 106 9.580 7.999 -3.454 1.00 0.00 C ATOM 1589 CG LEU A 106 10.994 8.386 -3.976 1.00 0.00 C ATOM 1590 CD1 LEU A 106 10.900 8.925 -5.396 1.00 0.00 C ATOM 1591 CD2 LEU A 106 11.691 9.400 -3.092 1.00 0.00 C ATOM 0 H LEU A 106 7.561 6.835 -2.650 1.00 0.00 H new ATOM 0 HA LEU A 106 10.321 6.863 -1.769 1.00 0.00 H new ATOM 0 HB2 LEU A 106 9.173 7.249 -4.132 1.00 0.00 H new ATOM 0 HB3 LEU A 106 8.946 8.882 -3.537 1.00 0.00 H new ATOM 0 HG LEU A 106 11.594 7.476 -3.959 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.896 9.192 -5.750 1.00 0.00 H new ATOM 0 HD12 LEU A 106 10.476 8.161 -6.048 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.261 9.808 -5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 106 12.672 9.631 -3.507 1.00 0.00 H new ATOM 0 HD22 LEU A 106 11.094 10.311 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 106 11.808 8.989 -2.089 1.00 0.00 H new ATOM 1748 N PHE A 117 15.826 0.434 -3.022 1.00 0.00 N ATOM 1749 CA PHE A 117 14.840 -0.596 -2.981 1.00 0.00 C ATOM 1750 C PHE A 117 14.424 -0.817 -4.390 1.00 0.00 C ATOM 1751 O PHE A 117 13.606 -0.096 -4.942 1.00 0.00 O ATOM 1752 CB PHE A 117 13.672 -0.156 -2.084 1.00 0.00 C ATOM 1753 CG PHE A 117 14.193 0.454 -0.815 1.00 0.00 C ATOM 1754 CD1 PHE A 117 14.772 -0.333 0.146 1.00 0.00 C ATOM 1755 CD2 PHE A 117 14.184 1.822 -0.637 1.00 0.00 C ATOM 1756 CE1 PHE A 117 15.324 0.239 1.274 1.00 0.00 C ATOM 1757 CE2 PHE A 117 14.740 2.397 0.476 1.00 0.00 C ATOM 1758 CZ PHE A 117 15.309 1.608 1.435 1.00 0.00 C ATOM 0 HA PHE A 117 15.217 -1.526 -2.555 1.00 0.00 H new ATOM 0 HB2 PHE A 117 13.049 0.565 -2.613 1.00 0.00 H new ATOM 0 HB3 PHE A 117 13.040 -1.013 -1.851 1.00 0.00 H new ATOM 0 HD1 PHE A 117 14.796 -1.405 0.020 1.00 0.00 H new ATOM 0 HD2 PHE A 117 13.731 2.451 -1.388 1.00 0.00 H new ATOM 0 HE1 PHE A 117 15.769 -0.388 2.033 1.00 0.00 H new ATOM 0 HE2 PHE A 117 14.728 3.470 0.594 1.00 0.00 H new ATOM 0 HZ PHE A 117 15.745 2.055 2.316 1.00 0.00 H new ATOM 1768 N GLN A 118 15.046 -1.772 -4.977 1.00 0.00 N ATOM 1769 CA GLN A 118 14.928 -1.999 -6.395 1.00 0.00 C ATOM 1770 C GLN A 118 13.907 -3.054 -6.712 1.00 0.00 C ATOM 1771 O GLN A 118 13.353 -3.674 -5.800 1.00 0.00 O ATOM 1772 CB GLN A 118 16.284 -2.377 -6.982 1.00 0.00 C ATOM 1773 CG GLN A 118 16.904 -3.613 -6.346 1.00 0.00 C ATOM 1774 CD GLN A 118 18.250 -3.979 -6.933 1.00 0.00 C ATOM 1775 OE1 GLN A 118 18.444 -3.714 -8.202 1.00 0.00 O flip ATOM 1776 NE2 GLN A 118 19.107 -4.521 -6.234 1.00 0.00 N flip ATOM 0 H GLN A 118 15.659 -2.430 -4.496 1.00 0.00 H new ATOM 0 HA GLN A 118 14.586 -1.069 -6.850 1.00 0.00 H new ATOM 0 HB2 GLN A 118 16.171 -2.548 -8.053 1.00 0.00 H new ATOM 0 HB3 GLN A 118 16.968 -1.537 -6.864 1.00 0.00 H new ATOM 0 HG2 GLN A 118 17.017 -3.444 -5.275 1.00 0.00 H new ATOM 0 HG3 GLN A 118 16.222 -4.455 -6.466 1.00 0.00 H new ATOM 0 HE21 GLN A 118 18.917 -4.710 -5.250 1.00 0.00 H new ATOM 0 HE22 GLN A 118 20.006 -4.780 -6.639 1.00 0.00 H new ATOM 1785 N HIS A 119 13.659 -3.228 -8.020 1.00 0.00 N ATOM 1786 CA HIS A 119 12.746 -4.242 -8.600 1.00 0.00 C ATOM 1787 C HIS A 119 11.289 -3.868 -8.344 1.00 0.00 C ATOM 1788 O HIS A 119 10.389 -4.688 -8.516 1.00 0.00 O ATOM 1789 CB HIS A 119 13.014 -5.683 -8.061 1.00 0.00 C ATOM 1790 CG HIS A 119 14.423 -6.196 -8.199 1.00 0.00 C ATOM 1791 ND1 HIS A 119 15.021 -7.044 -7.283 1.00 0.00 N ATOM 1792 CD2 HIS A 119 15.349 -5.985 -9.164 1.00 0.00 C ATOM 1793 CE1 HIS A 119 16.251 -7.307 -7.702 1.00 0.00 C ATOM 1794 NE2 HIS A 119 16.507 -6.690 -8.842 1.00 0.00 N ATOM 0 H HIS A 119 14.102 -2.649 -8.733 1.00 0.00 H new ATOM 0 HA HIS A 119 12.945 -4.249 -9.672 1.00 0.00 H new ATOM 0 HB2 HIS A 119 12.742 -5.710 -7.006 1.00 0.00 H new ATOM 0 HB3 HIS A 119 12.347 -6.372 -8.579 1.00 0.00 H new ATOM 0 HD1 HIS A 119 14.590 -7.405 -6.432 1.00 0.00 H new ATOM 0 HD2 HIS A 119 15.212 -5.370 -10.041 1.00 0.00 H new ATOM 0 HE1 HIS A 119 16.952 -7.942 -7.180 1.00 0.00 H new ATOM 1802 N VAL A 120 11.054 -2.624 -7.951 1.00 0.00 N ATOM 1803 CA VAL A 120 9.708 -2.190 -7.617 1.00 0.00 C ATOM 1804 C VAL A 120 8.877 -1.942 -8.864 1.00 0.00 C ATOM 1805 O VAL A 120 9.404 -1.558 -9.926 1.00 0.00 O ATOM 1806 CB VAL A 120 9.672 -0.946 -6.679 1.00 0.00 C ATOM 1807 CG1 VAL A 120 10.318 -1.258 -5.339 1.00 0.00 C ATOM 1808 CG2 VAL A 120 10.348 0.248 -7.322 1.00 0.00 C ATOM 0 H VAL A 120 11.771 -1.905 -7.857 1.00 0.00 H new ATOM 0 HA VAL A 120 9.265 -3.015 -7.059 1.00 0.00 H new ATOM 0 HB VAL A 120 8.625 -0.694 -6.510 1.00 0.00 H new ATOM 0 HG11 VAL A 120 10.280 -0.374 -4.702 1.00 0.00 H new ATOM 0 HG12 VAL A 120 9.781 -2.075 -4.858 1.00 0.00 H new ATOM 0 HG13 VAL A 120 11.357 -1.549 -5.495 1.00 0.00 H new ATOM 0 HG21 VAL A 120 10.306 1.099 -6.643 1.00 0.00 H new ATOM 0 HG22 VAL A 120 11.389 0.005 -7.536 1.00 0.00 H new ATOM 0 HG23 VAL A 120 9.836 0.499 -8.251 1.00 0.00 H new ATOM 1818 N ASP A 121 7.590 -2.144 -8.732 1.00 0.00 N ATOM 1819 CA ASP A 121 6.668 -2.004 -9.875 1.00 0.00 C ATOM 1820 C ASP A 121 6.424 -0.542 -10.199 1.00 0.00 C ATOM 1821 O ASP A 121 6.215 -0.176 -11.359 1.00 0.00 O ATOM 1822 CB ASP A 121 5.338 -2.750 -9.616 1.00 0.00 C ATOM 1823 CG ASP A 121 4.297 -2.610 -10.737 1.00 0.00 C ATOM 1824 OD1 ASP A 121 4.415 -3.316 -11.764 1.00 0.00 O ATOM 1825 OD2 ASP A 121 3.325 -1.820 -10.592 1.00 0.00 O ATOM 0 H ASP A 121 7.140 -2.406 -7.855 1.00 0.00 H new ATOM 0 HA ASP A 121 7.139 -2.464 -10.743 1.00 0.00 H new ATOM 0 HB2 ASP A 121 5.553 -3.808 -9.468 1.00 0.00 H new ATOM 0 HB3 ASP A 121 4.904 -2.380 -8.687 1.00 0.00 H new ATOM 1830 N LYS A 122 6.504 0.302 -9.187 1.00 0.00 N ATOM 1831 CA LYS A 122 6.282 1.715 -9.369 1.00 0.00 C ATOM 1832 C LYS A 122 6.913 2.480 -8.207 1.00 0.00 C ATOM 1833 O LYS A 122 7.171 1.918 -7.135 1.00 0.00 O ATOM 1834 CB LYS A 122 4.766 1.996 -9.380 1.00 0.00 C ATOM 1835 CG LYS A 122 4.337 3.375 -9.858 1.00 0.00 C ATOM 1836 CD LYS A 122 4.547 3.545 -11.348 1.00 0.00 C ATOM 1837 CE LYS A 122 3.609 2.664 -12.160 1.00 0.00 C ATOM 1838 NZ LYS A 122 3.784 2.864 -13.614 1.00 0.00 N ATOM 0 H LYS A 122 6.722 0.027 -8.229 1.00 0.00 H new ATOM 0 HA LYS A 122 6.728 2.033 -10.311 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.285 1.250 -10.013 1.00 0.00 H new ATOM 0 HB3 LYS A 122 4.384 1.851 -8.369 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.285 3.531 -9.619 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.902 4.137 -9.322 1.00 0.00 H new ATOM 0 HD2 LYS A 122 4.390 4.589 -11.620 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.580 3.303 -11.599 1.00 0.00 H new ATOM 0 HE2 LYS A 122 3.790 1.618 -11.913 1.00 0.00 H new ATOM 0 HE3 LYS A 122 2.577 2.883 -11.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 3.127 2.246 -14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 3.587 3.857 -13.854 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 4.762 2.631 -13.881 1.00 0.00 H new ATOM 1852 N TYR A 123 7.170 3.721 -8.445 1.00 0.00 N ATOM 1853 CA TYR A 123 7.607 4.668 -7.446 1.00 0.00 C ATOM 1854 C TYR A 123 6.475 5.618 -7.196 1.00 0.00 C ATOM 1855 O TYR A 123 5.904 6.167 -8.152 1.00 0.00 O ATOM 1856 CB TYR A 123 8.847 5.453 -7.898 1.00 0.00 C ATOM 1857 CG TYR A 123 10.159 4.865 -7.451 1.00 0.00 C ATOM 1858 CD1 TYR A 123 10.765 3.826 -8.133 1.00 0.00 C ATOM 1859 CD2 TYR A 123 10.794 5.367 -6.328 1.00 0.00 C ATOM 1860 CE1 TYR A 123 11.972 3.301 -7.703 1.00 0.00 C ATOM 1861 CE2 TYR A 123 11.987 4.855 -5.895 1.00 0.00 C ATOM 1862 CZ TYR A 123 12.579 3.819 -6.579 1.00 0.00 C ATOM 1863 OH TYR A 123 13.781 3.303 -6.141 1.00 0.00 O ATOM 0 H TYR A 123 7.081 4.131 -9.375 1.00 0.00 H new ATOM 0 HA TYR A 123 7.884 4.127 -6.541 1.00 0.00 H new ATOM 0 HB2 TYR A 123 8.844 5.516 -8.986 1.00 0.00 H new ATOM 0 HB3 TYR A 123 8.773 6.473 -7.520 1.00 0.00 H new ATOM 0 HD1 TYR A 123 10.290 3.418 -9.013 1.00 0.00 H new ATOM 0 HD2 TYR A 123 10.338 6.180 -5.782 1.00 0.00 H new ATOM 0 HE1 TYR A 123 12.435 2.490 -8.245 1.00 0.00 H new ATOM 0 HE2 TYR A 123 12.463 5.264 -5.016 1.00 0.00 H new ATOM 0 HH TYR A 123 14.070 3.783 -5.337 1.00 0.00 H new ATOM 1873 N VAL A 124 6.128 5.799 -5.959 1.00 0.00 N ATOM 1874 CA VAL A 124 5.010 6.657 -5.587 1.00 0.00 C ATOM 1875 C VAL A 124 5.383 7.499 -4.389 1.00 0.00 C ATOM 1876 O VAL A 124 6.502 7.412 -3.901 1.00 0.00 O ATOM 1877 CB VAL A 124 3.701 5.855 -5.277 1.00 0.00 C ATOM 1878 CG1 VAL A 124 3.152 5.174 -6.523 1.00 0.00 C ATOM 1879 CG2 VAL A 124 3.932 4.832 -4.174 1.00 0.00 C ATOM 0 H VAL A 124 6.602 5.363 -5.168 1.00 0.00 H new ATOM 0 HA VAL A 124 4.802 7.293 -6.447 1.00 0.00 H new ATOM 0 HB VAL A 124 2.958 6.574 -4.932 1.00 0.00 H new ATOM 0 HG11 VAL A 124 2.244 4.627 -6.269 1.00 0.00 H new ATOM 0 HG12 VAL A 124 2.923 5.926 -7.278 1.00 0.00 H new ATOM 0 HG13 VAL A 124 3.895 4.480 -6.916 1.00 0.00 H new ATOM 0 HG21 VAL A 124 3.006 4.290 -3.980 1.00 0.00 H new ATOM 0 HG22 VAL A 124 4.705 4.129 -4.485 1.00 0.00 H new ATOM 0 HG23 VAL A 124 4.251 5.343 -3.265 1.00 0.00 H new ATOM 1889 N LEU A 125 4.448 8.294 -3.921 1.00 0.00 N ATOM 1890 CA LEU A 125 4.662 9.177 -2.784 1.00 0.00 C ATOM 1891 C LEU A 125 4.734 8.380 -1.496 1.00 0.00 C ATOM 1892 O LEU A 125 4.128 7.309 -1.379 1.00 0.00 O ATOM 1893 CB LEU A 125 3.482 10.172 -2.598 1.00 0.00 C ATOM 1894 CG LEU A 125 3.190 11.250 -3.663 1.00 0.00 C ATOM 1895 CD1 LEU A 125 2.735 10.649 -4.990 1.00 0.00 C ATOM 1896 CD2 LEU A 125 2.132 12.205 -3.124 1.00 0.00 C ATOM 0 H LEU A 125 3.510 8.351 -4.317 1.00 0.00 H new ATOM 0 HA LEU A 125 5.591 9.710 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 125 2.575 9.578 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 125 3.644 10.690 -1.653 1.00 0.00 H new ATOM 0 HG LEU A 125 4.117 11.787 -3.864 1.00 0.00 H new ATOM 0 HD11 LEU A 125 2.543 11.449 -5.705 1.00 0.00 H new ATOM 0 HD12 LEU A 125 3.515 9.994 -5.379 1.00 0.00 H new ATOM 0 HD13 LEU A 125 1.822 10.074 -4.835 1.00 0.00 H new ATOM 0 HD21 LEU A 125 1.919 12.971 -3.870 1.00 0.00 H new ATOM 0 HD22 LEU A 125 1.220 11.650 -2.903 1.00 0.00 H new ATOM 0 HD23 LEU A 125 2.499 12.678 -2.213 1.00 0.00 H new