USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 462 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 29 CYS SG : rot 137:sc= 0.333 USER MOD Set 1.2: A 38 CYS SG : rot 169:sc= 1.5 USER MOD Set 1.3: A 74 CYS SG : rot -130:sc= 0.682 USER MOD Set 1.4: A 77 HIS : no HD1:sc= 1.05 K(o=3.6,f=-8.2!) USER MOD Set 2.1: A 30 CYS SG : rot 135:sc= 0.223 USER MOD Set 2.2: A 70 HIS :FLIP no HD1:sc= 0.184 F(o=-2.4,f=0.41) USER MOD Single : A 27 GLN : amide:sc= -0.507 K(o=-0.51,f=-1.1) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0309) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 154:sc= 1.17 (180deg=-1.11!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -119:sc= 1.07 (180deg=-0.881!) USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 47 N GLN A 27 -4.359 7.564 -6.822 1.00 0.00 N ATOM 48 CA GLN A 27 -4.155 8.999 -6.661 1.00 0.00 C ATOM 49 C GLN A 27 -5.117 9.619 -5.630 1.00 0.00 C ATOM 50 O GLN A 27 -6.243 9.169 -5.396 1.00 0.00 O ATOM 51 CB GLN A 27 -4.228 9.706 -8.028 1.00 0.00 C ATOM 52 CG GLN A 27 -5.601 9.632 -8.721 1.00 0.00 C ATOM 53 CD GLN A 27 -5.839 8.309 -9.429 1.00 0.00 C ATOM 54 OE1 GLN A 27 -6.263 7.327 -8.842 1.00 0.00 O ATOM 55 NE2 GLN A 27 -5.517 8.226 -10.698 1.00 0.00 N ATOM 0 HA GLN A 27 -3.154 9.150 -6.256 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -3.961 10.754 -7.894 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -3.479 9.268 -8.688 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -6.385 9.787 -7.979 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -5.681 10.444 -9.444 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -5.163 9.047 -11.189 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -5.621 7.341 -11.194 1.00 0.00 H new ATOM 64 N SER A 28 -4.663 10.705 -5.019 1.00 0.00 N ATOM 65 CA SER A 28 -5.397 11.558 -4.082 1.00 0.00 C ATOM 66 C SER A 28 -4.961 12.996 -4.321 1.00 0.00 C ATOM 67 O SER A 28 -3.958 13.230 -5.017 1.00 0.00 O ATOM 68 CB SER A 28 -5.093 11.196 -2.618 1.00 0.00 C ATOM 69 OG SER A 28 -3.746 11.517 -2.289 1.00 0.00 O ATOM 0 H SER A 28 -3.711 11.039 -5.172 1.00 0.00 H new ATOM 0 HA SER A 28 -6.465 11.420 -4.250 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.772 11.734 -1.957 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.268 10.132 -2.457 1.00 0.00 H new ATOM 0 HG SER A 28 -3.573 11.281 -1.354 1.00 0.00 H new ATOM 75 N CYS A 29 -5.669 13.932 -3.704 1.00 0.00 N ATOM 76 CA CYS A 29 -5.299 15.329 -3.696 1.00 0.00 C ATOM 77 C CYS A 29 -3.878 15.539 -3.119 1.00 0.00 C ATOM 78 O CYS A 29 -3.240 14.629 -2.567 1.00 0.00 O ATOM 79 CB CYS A 29 -6.383 16.055 -2.898 1.00 0.00 C ATOM 80 SG CYS A 29 -6.553 17.792 -3.416 1.00 0.00 S ATOM 0 H CYS A 29 -6.527 13.733 -3.190 1.00 0.00 H new ATOM 0 HA CYS A 29 -5.246 15.734 -4.707 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -7.336 15.542 -3.028 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -6.142 16.014 -1.836 1.00 0.00 H new ATOM 0 HG CYS A 29 -7.814 18.099 -3.497 1.00 0.00 H new ATOM 85 N CYS A 30 -3.395 16.768 -3.261 1.00 0.00 N ATOM 86 CA CYS A 30 -2.078 17.215 -2.802 1.00 0.00 C ATOM 87 C CYS A 30 -2.108 18.630 -2.201 1.00 0.00 C ATOM 88 O CYS A 30 -1.072 19.167 -1.797 1.00 0.00 O ATOM 89 CB CYS A 30 -1.112 17.142 -3.987 1.00 0.00 C ATOM 90 SG CYS A 30 0.579 17.041 -3.346 1.00 0.00 S ATOM 0 H CYS A 30 -3.927 17.510 -3.715 1.00 0.00 H new ATOM 0 HA CYS A 30 -1.746 16.560 -1.997 1.00 0.00 H new ATOM 0 HB2 CYS A 30 -1.335 16.272 -4.605 1.00 0.00 H new ATOM 0 HB3 CYS A 30 -1.224 18.021 -4.622 1.00 0.00 H new ATOM 0 HG CYS A 30 1.234 16.122 -3.992 1.00 0.00 H new ATOM 96 N LEU A 31 -3.294 19.236 -2.176 1.00 0.00 N ATOM 97 CA LEU A 31 -3.515 20.531 -1.563 1.00 0.00 C ATOM 98 C LEU A 31 -3.646 20.400 -0.037 1.00 0.00 C ATOM 99 O LEU A 31 -3.838 19.316 0.519 1.00 0.00 O ATOM 100 CB LEU A 31 -4.769 21.171 -2.188 1.00 0.00 C ATOM 101 CG LEU A 31 -4.719 21.287 -3.724 1.00 0.00 C ATOM 102 CD1 LEU A 31 -5.986 21.958 -4.235 1.00 0.00 C ATOM 103 CD2 LEU A 31 -3.516 22.074 -4.228 1.00 0.00 C ATOM 0 H LEU A 31 -4.135 18.831 -2.588 1.00 0.00 H new ATOM 0 HA LEU A 31 -2.658 21.177 -1.751 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.642 20.582 -1.907 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.906 22.166 -1.764 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.632 20.269 -4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.943 22.036 -5.321 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -6.854 21.364 -3.948 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -6.070 22.955 -3.802 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.540 22.118 -5.317 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.547 23.085 -3.823 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.598 21.582 -3.905 1.00 0.00 H new ATOM 115 N ILE A 32 -3.569 21.544 0.621 1.00 0.00 N ATOM 116 CA ILE A 32 -3.737 21.757 2.050 1.00 0.00 C ATOM 117 C ILE A 32 -4.646 22.964 2.190 1.00 0.00 C ATOM 118 O ILE A 32 -4.460 23.933 1.460 1.00 0.00 O ATOM 119 CB ILE A 32 -2.373 22.048 2.723 1.00 0.00 C ATOM 120 CG1 ILE A 32 -1.400 20.872 2.515 1.00 0.00 C ATOM 121 CG2 ILE A 32 -2.557 22.388 4.215 1.00 0.00 C ATOM 122 CD1 ILE A 32 -0.074 20.963 3.279 1.00 0.00 C ATOM 0 H ILE A 32 -3.372 22.417 0.132 1.00 0.00 H new ATOM 0 HA ILE A 32 -4.156 20.873 2.531 1.00 0.00 H new ATOM 0 HB ILE A 32 -1.932 22.923 2.246 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -1.904 19.951 2.808 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -1.180 20.790 1.451 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -1.585 22.588 4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.190 23.270 4.312 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -3.026 21.547 4.725 1.00 0.00 H new ATOM 0 HD11 ILE A 32 0.533 20.085 3.060 1.00 0.00 H new ATOM 0 HD12 ILE A 32 0.462 21.861 2.971 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -0.273 21.008 4.350 1.00 0.00 H new ATOM 134 N GLU A 33 -5.596 22.935 3.118 1.00 0.00 N ATOM 135 CA GLU A 33 -6.416 24.109 3.403 1.00 0.00 C ATOM 136 C GLU A 33 -6.468 24.334 4.915 1.00 0.00 C ATOM 137 O GLU A 33 -6.975 23.522 5.684 1.00 0.00 O ATOM 138 CB GLU A 33 -7.761 24.065 2.649 1.00 0.00 C ATOM 139 CG GLU A 33 -8.216 25.503 2.315 1.00 0.00 C ATOM 140 CD GLU A 33 -9.207 25.652 1.150 1.00 0.00 C ATOM 141 OE1 GLU A 33 -9.687 24.623 0.610 1.00 0.00 O ATOM 142 OE2 GLU A 33 -9.402 26.827 0.746 1.00 0.00 O ATOM 0 H GLU A 33 -5.818 22.116 3.684 1.00 0.00 H new ATOM 0 HA GLU A 33 -5.961 25.014 3.001 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -7.657 23.484 1.733 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -8.515 23.567 3.259 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.670 25.934 3.207 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -7.331 26.098 2.089 1.00 0.00 H new ATOM 149 N ASP A 34 -5.783 25.398 5.341 1.00 0.00 N ATOM 150 CA ASP A 34 -5.521 25.803 6.737 1.00 0.00 C ATOM 151 C ASP A 34 -4.754 24.794 7.622 1.00 0.00 C ATOM 152 O ASP A 34 -4.459 25.068 8.785 1.00 0.00 O ATOM 153 CB ASP A 34 -6.821 26.301 7.406 1.00 0.00 C ATOM 154 CG ASP A 34 -6.744 27.772 7.839 1.00 0.00 C ATOM 155 OD1 ASP A 34 -5.806 28.509 7.446 1.00 0.00 O ATOM 156 OD2 ASP A 34 -7.701 28.288 8.464 1.00 0.00 O ATOM 0 H ASP A 34 -5.364 26.050 4.677 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.810 26.625 6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -7.652 26.175 6.712 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -7.036 25.682 8.277 1.00 0.00 H new ATOM 161 N GLY A 35 -4.409 23.638 7.059 1.00 0.00 N ATOM 162 CA GLY A 35 -3.709 22.516 7.689 1.00 0.00 C ATOM 163 C GLY A 35 -4.331 21.167 7.316 1.00 0.00 C ATOM 164 O GLY A 35 -3.669 20.134 7.433 1.00 0.00 O ATOM 0 H GLY A 35 -4.626 23.445 6.081 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.662 22.528 7.388 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -3.731 22.638 8.772 1.00 0.00 H new ATOM 168 N GLU A 36 -5.580 21.151 6.827 1.00 0.00 N ATOM 169 CA GLU A 36 -6.224 19.940 6.311 1.00 0.00 C ATOM 170 C GLU A 36 -5.544 19.520 4.998 1.00 0.00 C ATOM 171 O GLU A 36 -5.897 20.016 3.926 1.00 0.00 O ATOM 172 CB GLU A 36 -7.758 20.109 6.145 1.00 0.00 C ATOM 173 CG GLU A 36 -8.395 18.740 5.757 1.00 0.00 C ATOM 174 CD GLU A 36 -9.941 18.688 5.663 1.00 0.00 C ATOM 175 OE1 GLU A 36 -10.595 19.079 6.653 1.00 0.00 O ATOM 176 OE2 GLU A 36 -10.486 18.145 4.658 1.00 0.00 O ATOM 0 H GLU A 36 -6.171 21.981 6.779 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.096 19.143 7.044 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -8.196 20.476 7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -7.971 20.852 5.376 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.986 18.436 4.793 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.074 17.997 6.488 1.00 0.00 H new ATOM 183 N ARG A 37 -4.515 18.661 5.082 1.00 0.00 N ATOM 184 CA ARG A 37 -3.859 18.052 3.910 1.00 0.00 C ATOM 185 C ARG A 37 -4.877 17.144 3.225 1.00 0.00 C ATOM 186 O ARG A 37 -5.014 15.979 3.598 1.00 0.00 O ATOM 187 CB ARG A 37 -2.553 17.314 4.295 1.00 0.00 C ATOM 188 CG ARG A 37 -1.566 17.032 3.135 1.00 0.00 C ATOM 189 CD ARG A 37 -2.130 16.437 1.831 1.00 0.00 C ATOM 190 NE ARG A 37 -2.684 15.084 2.008 1.00 0.00 N ATOM 191 CZ ARG A 37 -2.045 13.931 2.045 1.00 0.00 C ATOM 192 NH1 ARG A 37 -0.755 13.813 1.913 1.00 0.00 N ATOM 193 NH2 ARG A 37 -2.718 12.830 2.232 1.00 0.00 N ATOM 0 H ARG A 37 -4.111 18.367 5.971 1.00 0.00 H new ATOM 0 HA ARG A 37 -3.543 18.826 3.211 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -2.035 17.904 5.051 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.819 16.364 4.759 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -1.068 17.969 2.886 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -0.799 16.353 3.507 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.909 17.095 1.445 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.340 16.405 1.081 1.00 0.00 H new ATOM 0 HE ARG A 37 -3.697 15.032 2.116 1.00 0.00 H new ATOM 0 HH11 ARG A 37 -0.179 14.643 1.772 1.00 0.00 H new ATOM 0 HH12 ARG A 37 -0.321 12.891 1.951 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -3.731 12.865 2.348 1.00 0.00 H new ATOM 0 HH22 ARG A 37 -2.232 11.934 2.262 1.00 0.00 H new ATOM 207 N CYS A 38 -5.583 17.688 2.245 1.00 0.00 N ATOM 208 CA CYS A 38 -6.663 17.049 1.513 1.00 0.00 C ATOM 209 C CYS A 38 -6.307 15.600 1.125 1.00 0.00 C ATOM 210 O CYS A 38 -5.239 15.293 0.591 1.00 0.00 O ATOM 211 CB CYS A 38 -6.978 17.983 0.343 1.00 0.00 C ATOM 212 SG CYS A 38 -8.647 17.701 -0.330 1.00 0.00 S ATOM 0 H CYS A 38 -5.407 18.640 1.923 1.00 0.00 H new ATOM 0 HA CYS A 38 -7.563 16.920 2.114 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -6.891 19.018 0.673 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -6.240 17.837 -0.446 1.00 0.00 H new ATOM 0 HG CYS A 38 -8.953 18.663 -1.149 1.00 0.00 H new ATOM 217 N VAL A 39 -7.209 14.678 1.453 1.00 0.00 N ATOM 218 CA VAL A 39 -7.066 13.208 1.296 1.00 0.00 C ATOM 219 C VAL A 39 -8.082 12.631 0.307 1.00 0.00 C ATOM 220 O VAL A 39 -8.129 11.424 0.072 1.00 0.00 O ATOM 221 CB VAL A 39 -7.198 12.486 2.659 1.00 0.00 C ATOM 222 CG1 VAL A 39 -5.905 12.550 3.472 1.00 0.00 C ATOM 223 CG2 VAL A 39 -8.334 13.060 3.510 1.00 0.00 C ATOM 0 H VAL A 39 -8.110 14.935 1.857 1.00 0.00 H new ATOM 0 HA VAL A 39 -6.068 13.035 0.894 1.00 0.00 H new ATOM 0 HB VAL A 39 -7.420 11.447 2.415 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -6.045 12.030 4.420 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -5.100 12.074 2.913 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -5.647 13.592 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -8.388 12.522 4.456 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -8.146 14.116 3.703 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -9.279 12.951 2.977 1.00 0.00 H new ATOM 233 N ARG A 40 -8.914 13.497 -0.268 1.00 0.00 N ATOM 234 CA ARG A 40 -9.974 13.169 -1.226 1.00 0.00 C ATOM 235 C ARG A 40 -9.358 12.553 -2.499 1.00 0.00 C ATOM 236 O ARG A 40 -8.236 12.925 -2.863 1.00 0.00 O ATOM 237 CB ARG A 40 -10.767 14.466 -1.491 1.00 0.00 C ATOM 238 CG ARG A 40 -11.424 14.998 -0.200 1.00 0.00 C ATOM 239 CD ARG A 40 -12.036 16.400 -0.330 1.00 0.00 C ATOM 240 NE ARG A 40 -12.302 16.962 1.015 1.00 0.00 N ATOM 241 CZ ARG A 40 -13.293 16.649 1.827 1.00 0.00 C ATOM 242 NH1 ARG A 40 -14.283 15.887 1.426 1.00 0.00 N ATOM 243 NH2 ARG A 40 -13.302 17.068 3.062 1.00 0.00 N ATOM 0 H ARG A 40 -8.867 14.497 -0.070 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.662 12.418 -0.838 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -10.100 15.225 -1.901 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -11.535 14.278 -2.241 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -12.204 14.302 0.110 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -10.677 15.013 0.594 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -11.357 17.053 -0.879 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -12.962 16.350 -0.902 1.00 0.00 H new ATOM 0 HE ARG A 40 -11.647 17.668 1.350 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -14.295 15.526 0.472 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -15.041 15.655 2.068 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.536 17.645 3.410 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -14.075 16.819 3.680 1.00 0.00 H new ATOM 257 N PRO A 41 -10.034 11.594 -3.162 1.00 0.00 N ATOM 258 CA PRO A 41 -9.488 10.921 -4.342 1.00 0.00 C ATOM 259 C PRO A 41 -9.316 11.929 -5.481 1.00 0.00 C ATOM 260 O PRO A 41 -10.225 12.712 -5.756 1.00 0.00 O ATOM 261 CB PRO A 41 -10.488 9.812 -4.688 1.00 0.00 C ATOM 262 CG PRO A 41 -11.811 10.341 -4.135 1.00 0.00 C ATOM 263 CD PRO A 41 -11.387 11.128 -2.894 1.00 0.00 C ATOM 0 HA PRO A 41 -8.501 10.494 -4.165 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -10.542 9.641 -5.763 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -10.211 8.864 -4.228 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.323 10.976 -4.858 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.494 9.530 -3.883 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.060 11.966 -2.714 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -11.415 10.499 -2.004 1.00 0.00 H new ATOM 271 N ALA A 42 -8.146 11.922 -6.127 1.00 0.00 N ATOM 272 CA ALA A 42 -7.912 12.772 -7.286 1.00 0.00 C ATOM 273 C ALA A 42 -8.663 12.222 -8.500 1.00 0.00 C ATOM 274 O ALA A 42 -8.591 11.027 -8.781 1.00 0.00 O ATOM 275 CB ALA A 42 -6.412 12.951 -7.533 1.00 0.00 C ATOM 0 H ALA A 42 -7.352 11.338 -5.864 1.00 0.00 H new ATOM 0 HA ALA A 42 -8.308 13.769 -7.094 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -6.260 13.589 -8.403 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -5.952 13.413 -6.659 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.954 11.978 -7.712 1.00 0.00 H new ATOM 281 N GLY A 43 -9.381 13.102 -9.194 1.00 0.00 N ATOM 282 CA GLY A 43 -10.076 12.792 -10.437 1.00 0.00 C ATOM 283 C GLY A 43 -9.214 13.185 -11.631 1.00 0.00 C ATOM 284 O GLY A 43 -7.983 13.206 -11.549 1.00 0.00 O ATOM 0 H GLY A 43 -9.497 14.072 -8.900 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.305 11.727 -10.479 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -11.026 13.324 -10.474 1.00 0.00 H new ATOM 288 N ASN A 44 -9.862 13.544 -12.738 1.00 0.00 N ATOM 289 CA ASN A 44 -9.207 14.068 -13.940 1.00 0.00 C ATOM 290 C ASN A 44 -8.738 15.531 -13.712 1.00 0.00 C ATOM 291 O ASN A 44 -9.116 16.436 -14.458 1.00 0.00 O ATOM 292 CB ASN A 44 -10.152 13.892 -15.158 1.00 0.00 C ATOM 293 CG ASN A 44 -10.342 12.444 -15.608 1.00 0.00 C ATOM 294 OD1 ASN A 44 -9.914 11.493 -14.980 1.00 0.00 O ATOM 295 ND2 ASN A 44 -10.997 12.223 -16.728 1.00 0.00 N ATOM 0 H ASN A 44 -10.876 13.478 -12.828 1.00 0.00 H new ATOM 0 HA ASN A 44 -8.301 13.502 -14.158 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -11.126 14.313 -14.910 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -9.758 14.470 -15.994 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -11.139 11.268 -17.056 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -11.363 13.007 -17.268 1.00 0.00 H new ATOM 302 N ALA A 45 -7.975 15.778 -12.638 1.00 0.00 N ATOM 303 CA ALA A 45 -7.537 17.097 -12.194 1.00 0.00 C ATOM 304 C ALA A 45 -6.081 17.070 -11.698 1.00 0.00 C ATOM 305 O ALA A 45 -5.669 16.195 -10.929 1.00 0.00 O ATOM 306 CB ALA A 45 -8.495 17.581 -11.093 1.00 0.00 C ATOM 0 H ALA A 45 -7.635 15.029 -12.034 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.564 17.791 -13.034 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -8.184 18.567 -10.748 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -9.508 17.639 -11.492 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.473 16.881 -10.258 1.00 0.00 H new ATOM 312 N SER A 46 -5.296 18.067 -12.109 1.00 0.00 N ATOM 313 CA SER A 46 -3.877 18.183 -11.761 1.00 0.00 C ATOM 314 C SER A 46 -3.458 19.632 -11.542 1.00 0.00 C ATOM 315 O SER A 46 -3.955 20.543 -12.201 1.00 0.00 O ATOM 316 CB SER A 46 -2.977 17.568 -12.843 1.00 0.00 C ATOM 317 OG SER A 46 -3.359 17.990 -14.141 1.00 0.00 O ATOM 0 H SER A 46 -5.631 18.827 -12.701 1.00 0.00 H new ATOM 0 HA SER A 46 -3.752 17.633 -10.829 1.00 0.00 H new ATOM 0 HB2 SER A 46 -1.940 17.850 -12.658 1.00 0.00 H new ATOM 0 HB3 SER A 46 -3.027 16.481 -12.784 1.00 0.00 H new ATOM 0 HG SER A 46 -2.765 17.582 -14.806 1.00 0.00 H new ATOM 323 N PHE A 47 -2.512 19.838 -10.628 1.00 0.00 N ATOM 324 CA PHE A 47 -2.032 21.153 -10.202 1.00 0.00 C ATOM 325 C PHE A 47 -0.985 21.747 -11.166 1.00 0.00 C ATOM 326 O PHE A 47 0.199 21.877 -10.854 1.00 0.00 O ATOM 327 CB PHE A 47 -1.526 21.076 -8.755 1.00 0.00 C ATOM 328 CG PHE A 47 -1.474 22.441 -8.110 1.00 0.00 C ATOM 329 CD1 PHE A 47 -2.676 23.078 -7.761 1.00 0.00 C ATOM 330 CD2 PHE A 47 -0.246 23.090 -7.887 1.00 0.00 C ATOM 331 CE1 PHE A 47 -2.653 24.352 -7.176 1.00 0.00 C ATOM 332 CE2 PHE A 47 -0.223 24.372 -7.311 1.00 0.00 C ATOM 333 CZ PHE A 47 -1.429 25.004 -6.954 1.00 0.00 C ATOM 0 H PHE A 47 -2.043 19.070 -10.148 1.00 0.00 H new ATOM 0 HA PHE A 47 -2.871 21.848 -10.235 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -2.179 20.424 -8.175 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -0.533 20.628 -8.740 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -3.620 22.586 -7.944 1.00 0.00 H new ATOM 0 HD2 PHE A 47 0.679 22.603 -8.158 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -3.578 24.833 -6.896 1.00 0.00 H new ATOM 0 HE2 PHE A 47 0.719 24.872 -7.142 1.00 0.00 H new ATOM 0 HZ PHE A 47 -1.413 25.988 -6.510 1.00 0.00 H new ATOM 343 N SER A 48 -1.393 22.073 -12.393 1.00 0.00 N ATOM 344 CA SER A 48 -0.480 22.657 -13.386 1.00 0.00 C ATOM 345 C SER A 48 -0.074 24.082 -12.996 1.00 0.00 C ATOM 346 O SER A 48 -0.936 24.864 -12.620 1.00 0.00 O ATOM 347 CB SER A 48 -1.137 22.722 -14.766 1.00 0.00 C ATOM 348 OG SER A 48 -1.745 21.499 -15.132 1.00 0.00 O ATOM 0 H SER A 48 -2.348 21.944 -12.726 1.00 0.00 H new ATOM 0 HA SER A 48 0.399 22.013 -13.417 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.887 23.513 -14.771 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.387 22.989 -15.510 1.00 0.00 H new ATOM 0 HG SER A 48 -2.152 21.589 -16.019 1.00 0.00 H new ATOM 354 N LYS A 49 1.191 24.489 -13.189 1.00 0.00 N ATOM 355 CA LYS A 49 1.733 25.832 -12.848 1.00 0.00 C ATOM 356 C LYS A 49 0.826 27.024 -13.208 1.00 0.00 C ATOM 357 O LYS A 49 0.837 28.032 -12.509 1.00 0.00 O ATOM 358 CB LYS A 49 3.132 25.927 -13.494 1.00 0.00 C ATOM 359 CG LYS A 49 4.066 27.043 -12.984 1.00 0.00 C ATOM 360 CD LYS A 49 3.950 28.393 -13.717 1.00 0.00 C ATOM 361 CE LYS A 49 4.976 29.417 -13.197 1.00 0.00 C ATOM 362 NZ LYS A 49 6.363 29.150 -13.667 1.00 0.00 N ATOM 0 H LYS A 49 1.896 23.877 -13.601 1.00 0.00 H new ATOM 0 HA LYS A 49 1.791 25.915 -11.763 1.00 0.00 H new ATOM 0 HB2 LYS A 49 3.637 24.972 -13.351 1.00 0.00 H new ATOM 0 HB3 LYS A 49 3.001 26.060 -14.568 1.00 0.00 H new ATOM 0 HG2 LYS A 49 3.864 27.206 -11.925 1.00 0.00 H new ATOM 0 HG3 LYS A 49 5.096 26.695 -13.062 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.099 28.240 -14.786 1.00 0.00 H new ATOM 0 HD3 LYS A 49 2.943 28.790 -13.589 1.00 0.00 H new ATOM 0 HE2 LYS A 49 4.677 30.415 -13.517 1.00 0.00 H new ATOM 0 HE3 LYS A 49 4.962 29.414 -12.107 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 7.005 29.873 -13.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 6.665 28.210 -13.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.389 29.180 -14.706 1.00 0.00 H new ATOM 376 N ARG A 50 0.021 26.935 -14.279 1.00 0.00 N ATOM 377 CA ARG A 50 -0.977 27.955 -14.666 1.00 0.00 C ATOM 378 C ARG A 50 -2.067 28.195 -13.597 1.00 0.00 C ATOM 379 O ARG A 50 -2.531 29.328 -13.472 1.00 0.00 O ATOM 380 CB ARG A 50 -1.576 27.576 -16.040 1.00 0.00 C ATOM 381 CG ARG A 50 -2.442 28.685 -16.670 1.00 0.00 C ATOM 382 CD ARG A 50 -3.032 28.293 -18.040 1.00 0.00 C ATOM 383 NE ARG A 50 -2.048 28.326 -19.149 1.00 0.00 N ATOM 384 CZ ARG A 50 -1.566 27.300 -19.835 1.00 0.00 C ATOM 385 NH1 ARG A 50 -1.804 26.063 -19.502 1.00 0.00 N ATOM 386 NH2 ARG A 50 -0.818 27.501 -20.885 1.00 0.00 N ATOM 0 H ARG A 50 0.043 26.138 -14.915 1.00 0.00 H new ATOM 0 HA ARG A 50 -0.464 28.913 -14.746 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -0.764 27.330 -16.724 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -2.181 26.676 -15.926 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.256 28.932 -15.989 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -1.839 29.586 -16.786 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.452 27.290 -17.970 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.855 28.968 -18.277 1.00 0.00 H new ATOM 0 HE ARG A 50 -1.701 29.248 -19.415 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.380 25.856 -18.686 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -1.414 25.301 -20.057 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -0.601 28.452 -21.182 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -0.450 26.707 -21.409 1.00 0.00 H new ATOM 400 N VAL A 51 -2.454 27.167 -12.839 1.00 0.00 N ATOM 401 CA VAL A 51 -3.492 27.176 -11.790 1.00 0.00 C ATOM 402 C VAL A 51 -3.097 28.050 -10.587 1.00 0.00 C ATOM 403 O VAL A 51 -3.932 28.798 -10.075 1.00 0.00 O ATOM 404 CB VAL A 51 -3.798 25.715 -11.365 1.00 0.00 C ATOM 405 CG1 VAL A 51 -4.883 25.642 -10.295 1.00 0.00 C ATOM 406 CG2 VAL A 51 -4.302 24.887 -12.557 1.00 0.00 C ATOM 0 H VAL A 51 -2.028 26.246 -12.943 1.00 0.00 H new ATOM 0 HA VAL A 51 -4.397 27.626 -12.199 1.00 0.00 H new ATOM 0 HB VAL A 51 -2.859 25.320 -10.977 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.063 24.600 -10.030 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -4.559 26.191 -9.411 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -5.803 26.083 -10.679 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -4.509 23.868 -12.231 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.215 25.334 -12.951 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.541 24.871 -13.337 1.00 0.00 H new ATOM 416 N GLN A 52 -1.812 28.057 -10.211 1.00 0.00 N ATOM 417 CA GLN A 52 -1.274 28.870 -9.110 1.00 0.00 C ATOM 418 C GLN A 52 -1.621 30.368 -9.200 1.00 0.00 C ATOM 419 O GLN A 52 -1.939 30.996 -8.187 1.00 0.00 O ATOM 420 CB GLN A 52 0.256 28.736 -9.084 1.00 0.00 C ATOM 421 CG GLN A 52 0.772 27.384 -8.598 1.00 0.00 C ATOM 422 CD GLN A 52 2.293 27.427 -8.532 1.00 0.00 C ATOM 423 OE1 GLN A 52 2.991 27.113 -9.485 1.00 0.00 O ATOM 424 NE2 GLN A 52 2.857 27.875 -7.428 1.00 0.00 N ATOM 0 H GLN A 52 -1.102 27.487 -10.672 1.00 0.00 H new ATOM 0 HA GLN A 52 -1.740 28.488 -8.202 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.640 28.916 -10.088 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.664 29.517 -8.442 1.00 0.00 H new ATOM 0 HG2 GLN A 52 0.359 27.155 -7.616 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.447 26.592 -9.273 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.278 28.138 -6.630 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.872 27.958 -7.371 1.00 0.00 H new ATOM 433 N LYS A 53 -1.583 30.951 -10.411 1.00 0.00 N ATOM 434 CA LYS A 53 -1.911 32.372 -10.634 1.00 0.00 C ATOM 435 C LYS A 53 -3.302 32.726 -10.125 1.00 0.00 C ATOM 436 O LYS A 53 -3.463 33.684 -9.379 1.00 0.00 O ATOM 437 CB LYS A 53 -1.784 32.720 -12.124 1.00 0.00 C ATOM 438 CG LYS A 53 -2.163 34.194 -12.358 1.00 0.00 C ATOM 439 CD LYS A 53 -1.575 34.788 -13.636 1.00 0.00 C ATOM 440 CE LYS A 53 -2.203 34.271 -14.936 1.00 0.00 C ATOM 441 NZ LYS A 53 -1.709 35.057 -16.099 1.00 0.00 N ATOM 0 H LYS A 53 -1.325 30.452 -11.262 1.00 0.00 H new ATOM 0 HA LYS A 53 -1.196 32.965 -10.064 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -0.763 32.541 -12.461 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.433 32.072 -12.713 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -3.249 34.278 -12.396 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.827 34.785 -11.506 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.687 35.872 -13.601 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -0.505 34.579 -13.658 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -1.959 33.217 -15.071 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -3.289 34.342 -14.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -2.143 34.695 -16.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -1.963 36.058 -15.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -0.675 34.968 -16.164 1.00 0.00 H new ATOM 455 N SER A 54 -4.286 31.935 -10.545 1.00 0.00 N ATOM 456 CA SER A 54 -5.692 32.073 -10.143 1.00 0.00 C ATOM 457 C SER A 54 -5.860 32.196 -8.623 1.00 0.00 C ATOM 458 O SER A 54 -6.488 33.141 -8.140 1.00 0.00 O ATOM 459 CB SER A 54 -6.535 30.901 -10.664 1.00 0.00 C ATOM 460 OG SER A 54 -7.904 31.255 -10.584 1.00 0.00 O ATOM 0 H SER A 54 -4.129 31.160 -11.190 1.00 0.00 H new ATOM 0 HA SER A 54 -6.048 33.000 -10.593 1.00 0.00 H new ATOM 0 HB2 SER A 54 -6.264 30.669 -11.694 1.00 0.00 H new ATOM 0 HB3 SER A 54 -6.341 30.005 -10.074 1.00 0.00 H new ATOM 0 HG SER A 54 -8.453 30.514 -10.916 1.00 0.00 H new ATOM 466 N ILE A 55 -5.249 31.267 -7.877 1.00 0.00 N ATOM 467 CA ILE A 55 -5.301 31.180 -6.410 1.00 0.00 C ATOM 468 C ILE A 55 -4.648 32.418 -5.777 1.00 0.00 C ATOM 469 O ILE A 55 -5.256 33.099 -4.946 1.00 0.00 O ATOM 470 CB ILE A 55 -4.604 29.882 -5.930 1.00 0.00 C ATOM 471 CG1 ILE A 55 -5.309 28.637 -6.518 1.00 0.00 C ATOM 472 CG2 ILE A 55 -4.573 29.802 -4.391 1.00 0.00 C ATOM 473 CD1 ILE A 55 -4.576 27.327 -6.226 1.00 0.00 C ATOM 0 H ILE A 55 -4.683 30.527 -8.293 1.00 0.00 H new ATOM 0 HA ILE A 55 -6.344 31.149 -6.094 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.575 29.904 -6.289 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -6.320 28.577 -6.114 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -5.404 28.759 -7.597 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -4.078 28.881 -4.084 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -4.027 30.657 -3.993 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -5.593 29.812 -4.006 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.126 26.496 -6.668 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -3.574 27.367 -6.654 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -4.504 27.183 -5.148 1.00 0.00 H new ATOM 485 N SER A 56 -3.427 32.748 -6.211 1.00 0.00 N ATOM 486 CA SER A 56 -2.667 33.919 -5.746 1.00 0.00 C ATOM 487 C SER A 56 -3.438 35.227 -5.950 1.00 0.00 C ATOM 488 O SER A 56 -3.614 36.011 -5.018 1.00 0.00 O ATOM 489 CB SER A 56 -1.337 33.982 -6.499 1.00 0.00 C ATOM 490 OG SER A 56 -0.510 34.990 -5.952 1.00 0.00 O ATOM 0 H SER A 56 -2.927 32.199 -6.910 1.00 0.00 H new ATOM 0 HA SER A 56 -2.496 33.806 -4.675 1.00 0.00 H new ATOM 0 HB2 SER A 56 -0.833 33.017 -6.441 1.00 0.00 H new ATOM 0 HB3 SER A 56 -1.518 34.184 -7.555 1.00 0.00 H new ATOM 0 HG SER A 56 0.338 35.019 -6.442 1.00 0.00 H new ATOM 496 N GLN A 57 -4.005 35.427 -7.146 1.00 0.00 N ATOM 497 CA GLN A 57 -4.856 36.576 -7.485 1.00 0.00 C ATOM 498 C GLN A 57 -6.191 36.601 -6.708 1.00 0.00 C ATOM 499 O GLN A 57 -7.006 37.515 -6.893 1.00 0.00 O ATOM 500 CB GLN A 57 -5.092 36.595 -9.009 1.00 0.00 C ATOM 501 CG GLN A 57 -5.345 38.008 -9.565 1.00 0.00 C ATOM 502 CD GLN A 57 -4.052 38.726 -9.922 1.00 0.00 C ATOM 503 OE1 GLN A 57 -3.603 38.678 -11.050 1.00 0.00 O ATOM 504 NE2 GLN A 57 -3.417 39.402 -8.990 1.00 0.00 N ATOM 0 H GLN A 57 -3.882 34.779 -7.924 1.00 0.00 H new ATOM 0 HA GLN A 57 -4.330 37.481 -7.179 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -4.225 36.164 -9.510 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.946 35.960 -9.246 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.977 37.940 -10.450 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.892 38.594 -8.827 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.794 39.442 -8.043 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.548 39.886 -9.214 1.00 0.00 H new ATOM 513 N LYS A 58 -6.439 35.610 -5.845 1.00 0.00 N ATOM 514 CA LYS A 58 -7.624 35.498 -4.988 1.00 0.00 C ATOM 515 C LYS A 58 -7.305 35.579 -3.494 1.00 0.00 C ATOM 516 O LYS A 58 -8.212 35.948 -2.743 1.00 0.00 O ATOM 517 CB LYS A 58 -8.327 34.165 -5.304 1.00 0.00 C ATOM 518 CG LYS A 58 -9.847 34.241 -5.117 1.00 0.00 C ATOM 519 CD LYS A 58 -10.516 34.897 -6.341 1.00 0.00 C ATOM 520 CE LYS A 58 -12.040 35.018 -6.225 1.00 0.00 C ATOM 521 NZ LYS A 58 -12.447 35.856 -5.080 1.00 0.00 N ATOM 0 H LYS A 58 -5.792 34.831 -5.719 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.271 36.348 -5.204 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -8.105 33.876 -6.331 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -7.924 33.384 -4.659 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -10.250 33.239 -4.970 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -10.079 34.814 -4.219 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -10.092 35.891 -6.485 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -10.274 34.315 -7.230 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -12.440 35.444 -7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -12.475 34.024 -6.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -13.478 35.994 -5.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.177 35.386 -4.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -11.973 36.780 -5.140 1.00 0.00 H new ATOM 535 N LYS A 59 -6.059 35.307 -3.078 1.00 0.00 N ATOM 536 CA LYS A 59 -5.601 35.204 -1.677 1.00 0.00 C ATOM 537 C LYS A 59 -6.550 34.320 -0.845 1.00 0.00 C ATOM 538 O LYS A 59 -7.420 34.827 -0.129 1.00 0.00 O ATOM 539 CB LYS A 59 -5.303 36.597 -1.087 1.00 0.00 C ATOM 540 CG LYS A 59 -4.437 36.536 0.186 1.00 0.00 C ATOM 541 CD LYS A 59 -4.151 37.938 0.755 1.00 0.00 C ATOM 542 CE LYS A 59 -3.236 37.842 1.986 1.00 0.00 C ATOM 543 NZ LYS A 59 -2.912 39.176 2.564 1.00 0.00 N ATOM 0 H LYS A 59 -5.301 35.144 -3.741 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.644 34.682 -1.644 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.795 37.203 -1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -6.244 37.097 -0.857 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -4.943 35.934 0.941 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.495 36.037 -0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.680 38.558 -0.008 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -5.088 38.424 1.028 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.719 37.228 2.746 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.311 37.336 1.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -2.293 39.055 3.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.426 39.755 1.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.790 39.651 2.856 1.00 0.00 H new ATOM 557 N LEU A 60 -6.403 33.009 -1.065 1.00 0.00 N ATOM 558 CA LEU A 60 -7.051 31.872 -0.384 1.00 0.00 C ATOM 559 C LEU A 60 -6.153 31.298 0.744 1.00 0.00 C ATOM 560 O LEU A 60 -5.120 31.883 1.064 1.00 0.00 O ATOM 561 CB LEU A 60 -7.357 30.794 -1.456 1.00 0.00 C ATOM 562 CG LEU A 60 -8.601 31.030 -2.332 1.00 0.00 C ATOM 563 CD1 LEU A 60 -8.684 29.913 -3.372 1.00 0.00 C ATOM 564 CD2 LEU A 60 -9.891 31.023 -1.513 1.00 0.00 C ATOM 0 H LEU A 60 -5.768 32.681 -1.793 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.973 32.203 0.095 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.490 30.708 -2.111 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -7.472 29.834 -0.952 1.00 0.00 H new ATOM 0 HG LEU A 60 -8.501 32.009 -2.800 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.561 30.066 -4.001 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -7.787 29.925 -3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.763 28.951 -2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -10.742 31.193 -2.173 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.003 30.058 -1.018 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.850 31.813 -0.763 1.00 0.00 H new ATOM 576 N LYS A 61 -6.537 30.150 1.324 1.00 0.00 N ATOM 577 CA LYS A 61 -5.787 29.385 2.349 1.00 0.00 C ATOM 578 C LYS A 61 -5.194 28.059 1.814 1.00 0.00 C ATOM 579 O LYS A 61 -4.848 27.178 2.596 1.00 0.00 O ATOM 580 CB LYS A 61 -6.722 29.154 3.559 1.00 0.00 C ATOM 581 CG LYS A 61 -6.899 30.411 4.428 1.00 0.00 C ATOM 582 CD LYS A 61 -8.024 30.214 5.458 1.00 0.00 C ATOM 583 CE LYS A 61 -7.948 31.238 6.603 1.00 0.00 C ATOM 584 NZ LYS A 61 -7.041 30.777 7.678 1.00 0.00 N ATOM 0 H LYS A 61 -7.422 29.703 1.083 1.00 0.00 H new ATOM 0 HA LYS A 61 -4.919 29.970 2.653 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -7.698 28.826 3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -6.321 28.348 4.173 1.00 0.00 H new ATOM 0 HG2 LYS A 61 -5.965 30.636 4.943 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -7.128 31.267 3.793 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -8.990 30.299 4.960 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -7.966 29.206 5.869 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -7.599 32.195 6.215 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -8.945 31.404 7.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 -6.662 31.600 8.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -7.567 30.170 8.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -6.256 30.237 7.262 1.00 0.00 H new ATOM 598 N LEU A 62 -5.106 27.919 0.487 1.00 0.00 N ATOM 599 CA LEU A 62 -4.606 26.724 -0.198 1.00 0.00 C ATOM 600 C LEU A 62 -3.060 26.672 -0.232 1.00 0.00 C ATOM 601 O LEU A 62 -2.442 27.541 -0.848 1.00 0.00 O ATOM 602 CB LEU A 62 -5.173 26.670 -1.634 1.00 0.00 C ATOM 603 CG LEU A 62 -6.681 26.437 -1.753 1.00 0.00 C ATOM 604 CD1 LEU A 62 -7.073 26.565 -3.227 1.00 0.00 C ATOM 605 CD2 LEU A 62 -7.079 25.038 -1.308 1.00 0.00 C ATOM 0 H LEU A 62 -5.389 28.656 -0.158 1.00 0.00 H new ATOM 0 HA LEU A 62 -4.945 25.855 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -4.930 27.607 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -4.659 25.876 -2.176 1.00 0.00 H new ATOM 0 HG LEU A 62 -7.181 27.169 -1.119 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -8.145 26.402 -3.334 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -6.820 27.563 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -6.533 25.821 -3.813 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -8.158 24.917 -1.409 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -6.571 24.300 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -6.794 24.893 -0.266 1.00 0.00 H new ATOM 617 N ASP A 63 -2.463 25.627 0.347 1.00 0.00 N ATOM 618 CA ASP A 63 -1.016 25.320 0.312 1.00 0.00 C ATOM 619 C ASP A 63 -0.763 23.939 -0.340 1.00 0.00 C ATOM 620 O ASP A 63 -1.708 23.216 -0.669 1.00 0.00 O ATOM 621 CB ASP A 63 -0.364 25.472 1.702 1.00 0.00 C ATOM 622 CG ASP A 63 1.096 25.967 1.646 1.00 0.00 C ATOM 623 OD1 ASP A 63 1.890 25.450 0.821 1.00 0.00 O ATOM 624 OD2 ASP A 63 1.438 26.854 2.453 1.00 0.00 O ATOM 0 H ASP A 63 -2.992 24.936 0.879 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.523 26.057 -0.321 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -0.953 26.170 2.297 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.394 24.511 2.216 1.00 0.00 H new ATOM 629 N ILE A 64 0.499 23.535 -0.513 1.00 0.00 N ATOM 630 CA ILE A 64 0.909 22.348 -1.278 1.00 0.00 C ATOM 631 C ILE A 64 1.776 21.378 -0.470 1.00 0.00 C ATOM 632 O ILE A 64 2.834 21.730 0.058 1.00 0.00 O ATOM 633 CB ILE A 64 1.679 22.815 -2.543 1.00 0.00 C ATOM 634 CG1 ILE A 64 0.921 23.855 -3.406 1.00 0.00 C ATOM 635 CG2 ILE A 64 2.108 21.625 -3.425 1.00 0.00 C ATOM 636 CD1 ILE A 64 -0.418 23.368 -3.967 1.00 0.00 C ATOM 0 H ILE A 64 1.290 24.039 -0.113 1.00 0.00 H new ATOM 0 HA ILE A 64 0.006 21.801 -1.547 1.00 0.00 H new ATOM 0 HB ILE A 64 2.563 23.317 -2.150 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.744 24.747 -2.804 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.561 24.153 -4.237 1.00 0.00 H new ATOM 0 HG21 ILE A 64 2.644 21.995 -4.299 1.00 0.00 H new ATOM 0 HG22 ILE A 64 2.759 20.964 -2.853 1.00 0.00 H new ATOM 0 HG23 ILE A 64 1.225 21.074 -3.747 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -0.876 24.162 -4.557 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -0.252 22.496 -4.599 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -1.081 23.099 -3.145 1.00 0.00 H new ATOM 648 N ASP A 65 1.375 20.107 -0.454 1.00 0.00 N ATOM 649 CA ASP A 65 2.140 19.013 0.147 1.00 0.00 C ATOM 650 C ASP A 65 3.349 18.654 -0.738 1.00 0.00 C ATOM 651 O ASP A 65 3.252 17.943 -1.743 1.00 0.00 O ATOM 652 CB ASP A 65 1.215 17.817 0.397 1.00 0.00 C ATOM 653 CG ASP A 65 1.903 16.593 1.013 1.00 0.00 C ATOM 654 OD1 ASP A 65 3.146 16.613 1.199 1.00 0.00 O ATOM 655 OD2 ASP A 65 1.160 15.623 1.283 1.00 0.00 O ATOM 0 H ASP A 65 0.493 19.803 -0.866 1.00 0.00 H new ATOM 0 HA ASP A 65 2.541 19.325 1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.406 18.132 1.056 1.00 0.00 H new ATOM 0 HB3 ASP A 65 0.760 17.523 -0.549 1.00 0.00 H new ATOM 660 N LYS A 66 4.528 19.172 -0.373 1.00 0.00 N ATOM 661 CA LYS A 66 5.782 18.866 -1.081 1.00 0.00 C ATOM 662 C LYS A 66 6.281 17.432 -0.851 1.00 0.00 C ATOM 663 O LYS A 66 7.061 16.972 -1.681 1.00 0.00 O ATOM 664 CB LYS A 66 6.891 19.887 -0.737 1.00 0.00 C ATOM 665 CG LYS A 66 6.882 21.158 -1.612 1.00 0.00 C ATOM 666 CD LYS A 66 5.727 22.141 -1.355 1.00 0.00 C ATOM 667 CE LYS A 66 5.807 22.859 0.005 1.00 0.00 C ATOM 668 NZ LYS A 66 6.427 24.204 -0.097 1.00 0.00 N ATOM 0 H LYS A 66 4.642 19.810 0.414 1.00 0.00 H new ATOM 0 HA LYS A 66 5.545 18.948 -2.142 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.787 20.179 0.308 1.00 0.00 H new ATOM 0 HB3 LYS A 66 7.861 19.399 -0.837 1.00 0.00 H new ATOM 0 HG2 LYS A 66 7.824 21.686 -1.462 1.00 0.00 H new ATOM 0 HG3 LYS A 66 6.850 20.855 -2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 66 5.716 22.888 -2.149 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.783 21.600 -1.414 1.00 0.00 H new ATOM 0 HE2 LYS A 66 4.804 22.956 0.421 1.00 0.00 H new ATOM 0 HE3 LYS A 66 6.383 22.249 0.701 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 6.457 24.645 0.845 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 7.394 24.113 -0.468 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 5.864 24.798 -0.739 1.00 0.00 H new ATOM 682 N SER A 67 5.836 16.729 0.199 1.00 0.00 N ATOM 683 CA SER A 67 6.326 15.395 0.594 1.00 0.00 C ATOM 684 C SER A 67 6.165 14.347 -0.509 1.00 0.00 C ATOM 685 O SER A 67 7.128 13.694 -0.900 1.00 0.00 O ATOM 686 CB SER A 67 5.586 14.938 1.862 1.00 0.00 C ATOM 687 OG SER A 67 6.259 13.858 2.468 1.00 0.00 O ATOM 0 H SER A 67 5.104 17.080 0.817 1.00 0.00 H new ATOM 0 HA SER A 67 7.395 15.486 0.785 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.512 15.768 2.565 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.568 14.643 1.609 1.00 0.00 H new ATOM 0 HG SER A 67 5.775 13.582 3.274 1.00 0.00 H new ATOM 693 N VAL A 68 4.964 14.249 -1.093 1.00 0.00 N ATOM 694 CA VAL A 68 4.669 13.303 -2.194 1.00 0.00 C ATOM 695 C VAL A 68 5.031 13.889 -3.571 1.00 0.00 C ATOM 696 O VAL A 68 4.962 13.195 -4.583 1.00 0.00 O ATOM 697 CB VAL A 68 3.200 12.819 -2.131 1.00 0.00 C ATOM 698 CG1 VAL A 68 2.923 11.619 -3.055 1.00 0.00 C ATOM 699 CG2 VAL A 68 2.837 12.351 -0.712 1.00 0.00 C ATOM 0 H VAL A 68 4.164 14.821 -0.820 1.00 0.00 H new ATOM 0 HA VAL A 68 5.306 12.429 -2.057 1.00 0.00 H new ATOM 0 HB VAL A 68 2.606 13.678 -2.445 1.00 0.00 H new ATOM 0 HG11 VAL A 68 1.877 11.326 -2.967 1.00 0.00 H new ATOM 0 HG12 VAL A 68 3.136 11.898 -4.087 1.00 0.00 H new ATOM 0 HG13 VAL A 68 3.560 10.783 -2.766 1.00 0.00 H new ATOM 0 HG21 VAL A 68 1.800 12.016 -0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 68 3.490 11.528 -0.422 1.00 0.00 H new ATOM 0 HG23 VAL A 68 2.964 13.178 -0.013 1.00 0.00 H new ATOM 709 N ARG A 69 5.426 15.171 -3.629 1.00 0.00 N ATOM 710 CA ARG A 69 5.936 15.937 -4.792 1.00 0.00 C ATOM 711 C ARG A 69 5.041 16.035 -6.050 1.00 0.00 C ATOM 712 O ARG A 69 5.304 16.892 -6.892 1.00 0.00 O ATOM 713 CB ARG A 69 7.344 15.386 -5.118 1.00 0.00 C ATOM 714 CG ARG A 69 8.297 16.337 -5.859 1.00 0.00 C ATOM 715 CD ARG A 69 8.686 17.554 -5.007 1.00 0.00 C ATOM 716 NE ARG A 69 9.738 18.367 -5.653 1.00 0.00 N ATOM 717 CZ ARG A 69 9.576 19.220 -6.650 1.00 0.00 C ATOM 718 NH1 ARG A 69 8.421 19.415 -7.220 1.00 0.00 N ATOM 719 NH2 ARG A 69 10.592 19.907 -7.097 1.00 0.00 N ATOM 0 H ARG A 69 5.396 15.755 -2.793 1.00 0.00 H new ATOM 0 HA ARG A 69 5.952 16.982 -4.482 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.818 15.087 -4.183 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.227 14.484 -5.718 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.198 15.794 -6.146 1.00 0.00 H new ATOM 0 HG3 ARG A 69 7.823 16.677 -6.780 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.805 18.172 -4.834 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.036 17.217 -4.031 1.00 0.00 H new ATOM 0 HE ARG A 69 10.686 18.259 -5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 69 7.601 18.900 -6.899 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.337 20.082 -7.987 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.514 19.786 -6.677 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.464 20.564 -7.866 1.00 0.00 H new ATOM 733 N HIS A 70 4.026 15.177 -6.198 1.00 0.00 N ATOM 734 CA HIS A 70 3.099 15.036 -7.337 1.00 0.00 C ATOM 735 C HIS A 70 2.082 16.190 -7.512 1.00 0.00 C ATOM 736 O HIS A 70 1.662 16.813 -6.544 1.00 0.00 O ATOM 737 CB HIS A 70 2.388 13.664 -7.212 1.00 0.00 C ATOM 738 CG HIS A 70 1.349 13.508 -6.109 1.00 0.00 C ATOM 739 ND1 HIS A 70 1.176 14.315 -5.019 1.00 0.00 N flip ATOM 740 CD2 HIS A 70 0.350 12.545 -6.054 1.00 0.00 C flip ATOM 741 CE1 HIS A 70 0.043 13.886 -4.349 1.00 0.00 C flip ATOM 742 NE2 HIS A 70 -0.454 12.818 -5.001 1.00 0.00 N flip ATOM 0 H HIS A 70 3.809 14.503 -5.463 1.00 0.00 H new ATOM 0 HA HIS A 70 3.698 15.090 -8.246 1.00 0.00 H new ATOM 0 HB2 HIS A 70 1.903 13.449 -8.164 1.00 0.00 H new ATOM 0 HB3 HIS A 70 3.153 12.901 -7.064 1.00 0.00 H new ATOM 0 HD2 HIS A 70 0.234 11.717 -6.737 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -0.371 14.332 -3.457 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -1.295 12.302 -4.744 1.00 0.00 H new ATOM 751 N LEU A 71 1.613 16.418 -8.744 1.00 0.00 N ATOM 752 CA LEU A 71 0.704 17.527 -9.093 1.00 0.00 C ATOM 753 C LEU A 71 -0.745 17.048 -9.276 1.00 0.00 C ATOM 754 O LEU A 71 -1.315 17.232 -10.345 1.00 0.00 O ATOM 755 CB LEU A 71 1.203 18.273 -10.352 1.00 0.00 C ATOM 756 CG LEU A 71 2.630 18.845 -10.286 1.00 0.00 C ATOM 757 CD1 LEU A 71 2.947 19.584 -11.588 1.00 0.00 C ATOM 758 CD2 LEU A 71 2.818 19.824 -9.125 1.00 0.00 C ATOM 0 H LEU A 71 1.855 15.831 -9.542 1.00 0.00 H new ATOM 0 HA LEU A 71 0.709 18.225 -8.256 1.00 0.00 H new ATOM 0 HB2 LEU A 71 1.148 17.589 -11.199 1.00 0.00 H new ATOM 0 HB3 LEU A 71 0.515 19.093 -10.559 1.00 0.00 H new ATOM 0 HG LEU A 71 3.302 18.000 -10.134 1.00 0.00 H new ATOM 0 HD11 LEU A 71 3.958 19.989 -11.540 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.873 18.892 -12.427 1.00 0.00 H new ATOM 0 HD13 LEU A 71 2.236 20.399 -11.726 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.842 20.197 -9.126 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.128 20.660 -9.238 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.618 19.314 -8.183 1.00 0.00 H new ATOM 770 N TYR A 72 -1.357 16.435 -8.263 1.00 0.00 N ATOM 771 CA TYR A 72 -2.745 15.943 -8.341 1.00 0.00 C ATOM 772 C TYR A 72 -3.663 16.687 -7.373 1.00 0.00 C ATOM 773 O TYR A 72 -3.210 17.124 -6.318 1.00 0.00 O ATOM 774 CB TYR A 72 -2.780 14.436 -8.071 1.00 0.00 C ATOM 775 CG TYR A 72 -2.419 13.609 -9.287 1.00 0.00 C ATOM 776 CD1 TYR A 72 -3.298 13.577 -10.386 1.00 0.00 C ATOM 777 CD2 TYR A 72 -1.215 12.886 -9.333 1.00 0.00 C ATOM 778 CE1 TYR A 72 -2.978 12.817 -11.527 1.00 0.00 C ATOM 779 CE2 TYR A 72 -0.898 12.109 -10.464 1.00 0.00 C ATOM 780 CZ TYR A 72 -1.777 12.077 -11.566 1.00 0.00 C ATOM 781 OH TYR A 72 -1.446 11.333 -12.656 1.00 0.00 O ATOM 0 H TYR A 72 -0.910 16.262 -7.362 1.00 0.00 H new ATOM 0 HA TYR A 72 -3.115 16.134 -9.348 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -2.090 14.201 -7.261 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -3.777 14.156 -7.731 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -4.221 14.137 -10.354 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -0.531 12.926 -8.498 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -3.651 12.800 -12.372 1.00 0.00 H new ATOM 0 HE2 TYR A 72 0.018 11.538 -10.487 1.00 0.00 H new ATOM 0 HH TYR A 72 -0.583 10.894 -12.503 1.00 0.00 H new ATOM 791 N ILE A 73 -4.945 16.812 -7.723 1.00 0.00 N ATOM 792 CA ILE A 73 -5.970 17.426 -6.866 1.00 0.00 C ATOM 793 C ILE A 73 -7.290 16.642 -6.947 1.00 0.00 C ATOM 794 O ILE A 73 -7.555 15.965 -7.942 1.00 0.00 O ATOM 795 CB ILE A 73 -6.185 18.931 -7.190 1.00 0.00 C ATOM 796 CG1 ILE A 73 -6.893 19.178 -8.538 1.00 0.00 C ATOM 797 CG2 ILE A 73 -4.863 19.711 -7.152 1.00 0.00 C ATOM 798 CD1 ILE A 73 -7.206 20.652 -8.832 1.00 0.00 C ATOM 0 H ILE A 73 -5.308 16.487 -8.619 1.00 0.00 H new ATOM 0 HA ILE A 73 -5.605 17.377 -5.840 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.847 19.298 -6.406 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -6.267 18.786 -9.340 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -7.824 18.612 -8.554 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -5.052 20.759 -7.383 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -4.423 19.633 -6.158 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -4.174 19.296 -7.888 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -7.703 20.733 -9.799 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -7.859 21.047 -8.054 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -6.278 21.224 -8.852 1.00 0.00 H new ATOM 810 N CYS A 74 -8.128 16.719 -5.917 1.00 0.00 N ATOM 811 CA CYS A 74 -9.469 16.139 -5.946 1.00 0.00 C ATOM 812 C CYS A 74 -10.449 17.001 -6.759 1.00 0.00 C ATOM 813 O CYS A 74 -10.290 18.219 -6.893 1.00 0.00 O ATOM 814 CB CYS A 74 -9.956 15.893 -4.522 1.00 0.00 C ATOM 815 SG CYS A 74 -10.258 17.460 -3.683 1.00 0.00 S ATOM 0 H CYS A 74 -7.898 17.185 -5.039 1.00 0.00 H new ATOM 0 HA CYS A 74 -9.422 15.178 -6.459 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -10.871 15.301 -4.541 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -9.214 15.315 -3.971 1.00 0.00 H new ATOM 0 HG CYS A 74 -9.663 17.455 -2.527 1.00 0.00 H new ATOM 820 N ASP A 75 -11.504 16.367 -7.271 1.00 0.00 N ATOM 821 CA ASP A 75 -12.555 17.048 -8.033 1.00 0.00 C ATOM 822 C ASP A 75 -13.301 18.123 -7.216 1.00 0.00 C ATOM 823 O ASP A 75 -13.828 19.086 -7.775 1.00 0.00 O ATOM 824 CB ASP A 75 -13.504 16.003 -8.643 1.00 0.00 C ATOM 825 CG ASP A 75 -13.417 15.989 -10.165 1.00 0.00 C ATOM 826 OD1 ASP A 75 -12.310 16.095 -10.733 1.00 0.00 O ATOM 827 OD2 ASP A 75 -14.479 16.020 -10.816 1.00 0.00 O ATOM 0 H ASP A 75 -11.656 15.363 -7.170 1.00 0.00 H new ATOM 0 HA ASP A 75 -12.079 17.602 -8.842 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -13.257 15.015 -8.254 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -14.528 16.218 -8.338 1.00 0.00 H new ATOM 832 N PHE A 76 -13.293 18.002 -5.885 1.00 0.00 N ATOM 833 CA PHE A 76 -13.844 18.987 -4.950 1.00 0.00 C ATOM 834 C PHE A 76 -13.029 20.292 -5.021 1.00 0.00 C ATOM 835 O PHE A 76 -13.565 21.374 -5.278 1.00 0.00 O ATOM 836 CB PHE A 76 -13.812 18.363 -3.544 1.00 0.00 C ATOM 837 CG PHE A 76 -14.789 18.961 -2.555 1.00 0.00 C ATOM 838 CD1 PHE A 76 -14.539 20.220 -1.979 1.00 0.00 C ATOM 839 CD2 PHE A 76 -15.942 18.241 -2.189 1.00 0.00 C ATOM 840 CE1 PHE A 76 -15.438 20.754 -1.041 1.00 0.00 C ATOM 841 CE2 PHE A 76 -16.837 18.776 -1.247 1.00 0.00 C ATOM 842 CZ PHE A 76 -16.585 20.033 -0.669 1.00 0.00 C ATOM 0 H PHE A 76 -12.891 17.191 -5.415 1.00 0.00 H new ATOM 0 HA PHE A 76 -14.872 19.243 -5.205 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -14.015 17.296 -3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -12.804 18.463 -3.142 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -13.656 20.776 -2.258 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -16.139 17.276 -2.633 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -15.247 21.723 -0.604 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -17.720 18.221 -0.966 1.00 0.00 H new ATOM 0 HZ PHE A 76 -17.271 20.443 0.058 1.00 0.00 H new ATOM 852 N HIS A 77 -11.704 20.182 -4.869 1.00 0.00 N ATOM 853 CA HIS A 77 -10.782 21.311 -5.022 1.00 0.00 C ATOM 854 C HIS A 77 -10.701 21.828 -6.466 1.00 0.00 C ATOM 855 O HIS A 77 -10.586 23.040 -6.667 1.00 0.00 O ATOM 856 CB HIS A 77 -9.402 20.931 -4.467 1.00 0.00 C ATOM 857 CG HIS A 77 -9.232 21.268 -2.984 1.00 0.00 C ATOM 858 ND1 HIS A 77 -8.775 20.402 -1.966 1.00 0.00 N ATOM 859 CD2 HIS A 77 -9.492 22.486 -2.426 1.00 0.00 C ATOM 860 CE1 HIS A 77 -8.798 21.138 -0.826 1.00 0.00 C ATOM 861 NE2 HIS A 77 -9.225 22.386 -1.080 1.00 0.00 N ATOM 0 H HIS A 77 -11.241 19.304 -4.636 1.00 0.00 H new ATOM 0 HA HIS A 77 -11.177 22.145 -4.442 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -9.242 19.862 -4.610 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -8.633 21.448 -5.040 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -9.843 23.366 -2.945 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -8.513 20.772 0.149 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -9.333 23.132 -0.393 1.00 0.00 H new ATOM 869 N LYS A 78 -10.832 20.951 -7.472 1.00 0.00 N ATOM 870 CA LYS A 78 -10.907 21.338 -8.891 1.00 0.00 C ATOM 871 C LYS A 78 -12.029 22.353 -9.111 1.00 0.00 C ATOM 872 O LYS A 78 -11.822 23.387 -9.749 1.00 0.00 O ATOM 873 CB LYS A 78 -11.153 20.082 -9.744 1.00 0.00 C ATOM 874 CG LYS A 78 -11.190 20.327 -11.264 1.00 0.00 C ATOM 875 CD LYS A 78 -11.891 19.183 -12.017 1.00 0.00 C ATOM 876 CE LYS A 78 -13.415 19.193 -11.826 1.00 0.00 C ATOM 877 NZ LYS A 78 -14.041 18.026 -12.490 1.00 0.00 N ATOM 0 H LYS A 78 -10.890 19.944 -7.324 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.966 21.802 -9.187 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -10.371 19.354 -9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -12.099 19.634 -9.440 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.707 21.265 -11.467 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -10.172 20.437 -11.638 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.662 19.259 -13.080 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -11.492 18.229 -11.673 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -13.652 19.181 -10.762 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -13.830 20.114 -12.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.703 18.356 -13.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.303 17.440 -12.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.557 17.461 -11.785 1.00 0.00 H new ATOM 891 N ASN A 79 -13.220 22.072 -8.571 1.00 0.00 N ATOM 892 CA ASN A 79 -14.353 22.987 -8.684 1.00 0.00 C ATOM 893 C ASN A 79 -14.154 24.252 -7.839 1.00 0.00 C ATOM 894 O ASN A 79 -14.544 25.327 -8.284 1.00 0.00 O ATOM 895 CB ASN A 79 -15.666 22.275 -8.324 1.00 0.00 C ATOM 896 CG ASN A 79 -16.837 23.174 -8.690 1.00 0.00 C ATOM 897 OD1 ASN A 79 -17.139 23.381 -9.851 1.00 0.00 O ATOM 898 ND2 ASN A 79 -17.476 23.798 -7.729 1.00 0.00 N ATOM 0 H ASN A 79 -13.421 21.217 -8.052 1.00 0.00 H new ATOM 0 HA ASN A 79 -14.414 23.307 -9.724 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -15.738 21.327 -8.858 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -15.688 22.043 -7.259 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -18.223 24.454 -7.956 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -17.226 23.627 -6.755 1.00 0.00 H new ATOM 905 N PHE A 80 -13.540 24.163 -6.654 1.00 0.00 N ATOM 906 CA PHE A 80 -13.251 25.335 -5.820 1.00 0.00 C ATOM 907 C PHE A 80 -12.443 26.398 -6.577 1.00 0.00 C ATOM 908 O PHE A 80 -12.863 27.554 -6.652 1.00 0.00 O ATOM 909 CB PHE A 80 -12.530 24.891 -4.538 1.00 0.00 C ATOM 910 CG PHE A 80 -12.322 25.994 -3.516 1.00 0.00 C ATOM 911 CD1 PHE A 80 -13.439 26.694 -3.015 1.00 0.00 C ATOM 912 CD2 PHE A 80 -11.035 26.276 -3.010 1.00 0.00 C ATOM 913 CE1 PHE A 80 -13.278 27.661 -2.008 1.00 0.00 C ATOM 914 CE2 PHE A 80 -10.883 27.236 -1.998 1.00 0.00 C ATOM 915 CZ PHE A 80 -11.999 27.919 -1.487 1.00 0.00 C ATOM 0 H PHE A 80 -13.230 23.280 -6.247 1.00 0.00 H new ATOM 0 HA PHE A 80 -14.198 25.803 -5.551 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -13.102 24.087 -4.075 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -11.559 24.476 -4.808 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -14.423 26.486 -3.407 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -10.172 25.756 -3.399 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -14.134 28.204 -1.636 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -9.899 27.452 -1.608 1.00 0.00 H new ATOM 0 HZ PHE A 80 -11.874 28.642 -0.694 1.00 0.00 H new ATOM 925 N ILE A 81 -11.337 26.004 -7.219 1.00 0.00 N ATOM 926 CA ILE A 81 -10.476 26.938 -7.967 1.00 0.00 C ATOM 927 C ILE A 81 -11.230 27.573 -9.146 1.00 0.00 C ATOM 928 O ILE A 81 -11.160 28.785 -9.348 1.00 0.00 O ATOM 929 CB ILE A 81 -9.159 26.270 -8.410 1.00 0.00 C ATOM 930 CG1 ILE A 81 -8.385 25.753 -7.171 1.00 0.00 C ATOM 931 CG2 ILE A 81 -8.315 27.301 -9.194 1.00 0.00 C ATOM 932 CD1 ILE A 81 -7.236 24.798 -7.507 1.00 0.00 C ATOM 0 H ILE A 81 -11.012 25.037 -7.237 1.00 0.00 H new ATOM 0 HA ILE A 81 -10.203 27.747 -7.290 1.00 0.00 H new ATOM 0 HB ILE A 81 -9.372 25.417 -9.055 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -7.986 26.606 -6.623 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -9.083 25.245 -6.506 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -7.380 26.839 -9.513 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -8.871 27.636 -10.070 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -8.098 28.156 -8.553 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -6.745 24.482 -6.587 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -7.629 23.925 -8.027 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -6.515 25.307 -8.146 1.00 0.00 H new ATOM 944 N GLN A 82 -11.991 26.775 -9.897 1.00 0.00 N ATOM 945 CA GLN A 82 -12.808 27.245 -11.026 1.00 0.00 C ATOM 946 C GLN A 82 -13.929 28.198 -10.570 1.00 0.00 C ATOM 947 O GLN A 82 -14.184 29.223 -11.202 1.00 0.00 O ATOM 948 CB GLN A 82 -13.395 26.015 -11.739 1.00 0.00 C ATOM 949 CG GLN A 82 -12.336 25.194 -12.498 1.00 0.00 C ATOM 950 CD GLN A 82 -11.960 25.848 -13.820 1.00 0.00 C ATOM 951 OE1 GLN A 82 -10.991 26.583 -13.936 1.00 0.00 O ATOM 952 NE2 GLN A 82 -12.753 25.677 -14.859 1.00 0.00 N ATOM 0 H GLN A 82 -12.061 25.770 -9.739 1.00 0.00 H new ATOM 0 HA GLN A 82 -12.178 27.815 -11.709 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -13.884 25.375 -11.004 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -14.164 26.341 -12.439 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.446 25.087 -11.879 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -12.718 24.190 -12.684 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -13.568 25.068 -14.784 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -12.552 26.154 -15.738 1.00 0.00 H new