USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 571 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 58 GLN : amide:sc= -1.93 K(o=-3.7,f=-4.6) USER MOD Set 1.2: A 69 LYS NZ :NH3+ 141:sc= -1.81 (180deg=0) USER MOD Single : A 6 SER OG : rot -140:sc= -0.178 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 170:sc= 0.502 USER MOD Single : A 14 SER OG : rot -44:sc= 0.125 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.898 K(o=-0.9,f=-7.5!) USER MOD Single : A 27 LYS NZ :NH3+ 157:sc= -0.002 (180deg=-0.705) USER MOD Single : A 29 GLN : amide:sc= -3.52! C(o=-3.5!,f=-8.4!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -124:sc= -1.08 (180deg=-3.43!) USER MOD Single : A 49 SER OG : rot 29:sc= -2.37 USER MOD Single : A 50 THR OG1 : rot -73:sc= 0.821 USER MOD Single : A 57 THR OG1 : rot 106:sc= -2.24! USER MOD Single : A 62 ASN : amide:sc= -0.637 X(o=-0.64,f=-0.33) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 160:sc= -5.51! USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 56 N VAL A 5 10.840 9.161 -6.256 1.00 0.00 N ATOM 57 CA VAL A 5 9.375 9.241 -6.530 1.00 0.00 C ATOM 58 C VAL A 5 8.998 8.166 -7.556 1.00 0.00 C ATOM 59 O VAL A 5 9.730 7.910 -8.492 1.00 0.00 O ATOM 60 CB VAL A 5 9.048 10.630 -7.085 1.00 0.00 C ATOM 61 CG1 VAL A 5 7.584 10.965 -6.804 1.00 0.00 C ATOM 62 CG2 VAL A 5 9.939 11.665 -6.396 1.00 0.00 C ATOM 0 HA VAL A 5 8.810 9.076 -5.612 1.00 0.00 H new ATOM 0 HB VAL A 5 9.223 10.642 -8.161 1.00 0.00 H new ATOM 0 HG11 VAL A 5 7.355 11.954 -7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 5 6.943 10.225 -7.283 1.00 0.00 H new ATOM 0 HG13 VAL A 5 7.409 10.955 -5.728 1.00 0.00 H new ATOM 0 HG21 VAL A 5 9.712 12.657 -6.786 1.00 0.00 H new ATOM 0 HG22 VAL A 5 9.755 11.646 -5.322 1.00 0.00 H new ATOM 0 HG23 VAL A 5 10.986 11.430 -6.589 1.00 0.00 H new ATOM 72 N SER A 6 7.873 7.519 -7.386 1.00 0.00 N ATOM 73 CA SER A 6 7.483 6.451 -8.355 1.00 0.00 C ATOM 74 C SER A 6 6.437 6.964 -9.342 1.00 0.00 C ATOM 75 O SER A 6 5.319 7.259 -8.981 1.00 0.00 O ATOM 76 CB SER A 6 6.897 5.250 -7.607 1.00 0.00 C ATOM 77 OG SER A 6 7.270 5.322 -6.238 1.00 0.00 O ATOM 0 H SER A 6 7.213 7.682 -6.625 1.00 0.00 H new ATOM 0 HA SER A 6 8.379 6.155 -8.900 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.811 5.244 -7.700 1.00 0.00 H new ATOM 0 HB3 SER A 6 7.260 4.321 -8.046 1.00 0.00 H new ATOM 0 HG SER A 6 7.493 4.425 -5.912 1.00 0.00 H new ATOM 83 N LYS A 7 6.779 7.019 -10.594 1.00 0.00 N ATOM 84 CA LYS A 7 5.793 7.450 -11.617 1.00 0.00 C ATOM 85 C LYS A 7 5.273 6.177 -12.279 1.00 0.00 C ATOM 86 O LYS A 7 6.029 5.435 -12.879 1.00 0.00 O ATOM 87 CB LYS A 7 6.476 8.339 -12.657 1.00 0.00 C ATOM 88 CG LYS A 7 5.414 9.064 -13.486 1.00 0.00 C ATOM 89 CD LYS A 7 5.993 10.374 -14.025 1.00 0.00 C ATOM 90 CE LYS A 7 6.165 11.368 -12.875 1.00 0.00 C ATOM 91 NZ LYS A 7 6.063 12.759 -13.400 1.00 0.00 N ATOM 0 H LYS A 7 7.703 6.783 -10.955 1.00 0.00 H new ATOM 0 HA LYS A 7 4.981 8.023 -11.169 1.00 0.00 H new ATOM 0 HB2 LYS A 7 7.124 9.063 -12.163 1.00 0.00 H new ATOM 0 HB3 LYS A 7 7.110 7.736 -13.307 1.00 0.00 H new ATOM 0 HG2 LYS A 7 5.088 8.432 -14.312 1.00 0.00 H new ATOM 0 HG3 LYS A 7 4.536 9.267 -12.874 1.00 0.00 H new ATOM 0 HD2 LYS A 7 6.953 10.189 -14.506 1.00 0.00 H new ATOM 0 HD3 LYS A 7 5.331 10.791 -14.784 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.402 11.198 -12.116 1.00 0.00 H new ATOM 0 HE3 LYS A 7 7.132 11.220 -12.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.180 13.435 -12.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 6.807 12.918 -14.109 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.131 12.897 -13.840 1.00 0.00 H new ATOM 105 N LEU A 8 4.011 5.872 -12.147 1.00 0.00 N ATOM 106 CA LEU A 8 3.537 4.603 -12.754 1.00 0.00 C ATOM 107 C LEU A 8 2.394 4.801 -13.733 1.00 0.00 C ATOM 108 O LEU A 8 1.645 5.763 -13.688 1.00 0.00 O ATOM 109 CB LEU A 8 3.023 3.644 -11.680 1.00 0.00 C ATOM 110 CG LEU A 8 3.691 3.905 -10.338 1.00 0.00 C ATOM 111 CD1 LEU A 8 3.156 2.879 -9.339 1.00 0.00 C ATOM 112 CD2 LEU A 8 5.205 3.746 -10.480 1.00 0.00 C ATOM 0 H LEU A 8 3.309 6.429 -11.660 1.00 0.00 H new ATOM 0 HA LEU A 8 4.403 4.200 -13.279 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.943 3.754 -11.578 1.00 0.00 H new ATOM 0 HB3 LEU A 8 3.211 2.615 -11.988 1.00 0.00 H new ATOM 0 HG LEU A 8 3.476 4.917 -9.995 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.619 3.043 -8.366 1.00 0.00 H new ATOM 0 HD12 LEU A 8 2.075 2.988 -9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.392 1.874 -9.688 1.00 0.00 H new ATOM 0 HD21 LEU A 8 5.682 3.933 -9.518 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.435 2.732 -10.808 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.578 4.459 -11.215 1.00 0.00 H new ATOM 124 N ARG A 9 2.236 3.815 -14.567 1.00 0.00 N ATOM 125 CA ARG A 9 1.125 3.782 -15.545 1.00 0.00 C ATOM 126 C ARG A 9 0.376 2.485 -15.260 1.00 0.00 C ATOM 127 O ARG A 9 0.860 1.406 -15.547 1.00 0.00 O ATOM 128 CB ARG A 9 1.681 3.761 -16.969 1.00 0.00 C ATOM 129 CG ARG A 9 2.277 5.128 -17.306 1.00 0.00 C ATOM 130 CD ARG A 9 2.596 5.190 -18.802 1.00 0.00 C ATOM 131 NE ARG A 9 2.605 6.612 -19.249 1.00 0.00 N ATOM 132 CZ ARG A 9 3.725 7.174 -19.614 1.00 0.00 C ATOM 133 NH1 ARG A 9 4.849 6.811 -19.058 1.00 0.00 N ATOM 134 NH2 ARG A 9 3.722 8.098 -20.536 1.00 0.00 N ATOM 0 H ARG A 9 2.854 3.005 -14.609 1.00 0.00 H new ATOM 0 HA ARG A 9 0.479 4.656 -15.458 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.444 2.988 -17.061 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.889 3.514 -17.676 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.575 5.918 -17.040 1.00 0.00 H new ATOM 0 HG3 ARG A 9 3.182 5.296 -16.723 1.00 0.00 H new ATOM 0 HD2 ARG A 9 3.565 4.730 -18.998 1.00 0.00 H new ATOM 0 HD3 ARG A 9 1.855 4.625 -19.367 1.00 0.00 H new ATOM 0 HE ARG A 9 1.736 7.146 -19.270 1.00 0.00 H new ATOM 0 HH11 ARG A 9 4.852 6.088 -18.338 1.00 0.00 H new ATOM 0 HH12 ARG A 9 5.724 7.250 -19.343 1.00 0.00 H new ATOM 0 HH21 ARG A 9 2.844 8.381 -20.971 1.00 0.00 H new ATOM 0 HH22 ARG A 9 4.598 8.537 -20.821 1.00 0.00 H new ATOM 148 N ILE A 10 -0.764 2.560 -14.644 1.00 0.00 N ATOM 149 CA ILE A 10 -1.479 1.304 -14.296 1.00 0.00 C ATOM 150 C ILE A 10 -2.631 1.068 -15.279 1.00 0.00 C ATOM 151 O ILE A 10 -3.578 1.814 -15.337 1.00 0.00 O ATOM 152 CB ILE A 10 -1.988 1.414 -12.853 1.00 0.00 C ATOM 153 CG1 ILE A 10 -0.923 2.113 -11.990 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.242 0.015 -12.283 1.00 0.00 C ATOM 155 CD1 ILE A 10 -1.599 2.834 -10.829 1.00 0.00 C ATOM 0 H ILE A 10 -1.229 3.425 -14.368 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.805 0.451 -14.369 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.915 1.987 -12.845 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -0.210 1.381 -11.611 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -0.360 2.824 -12.594 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -2.603 0.100 -11.258 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -2.990 -0.495 -12.890 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -1.314 -0.557 -12.294 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -0.844 3.329 -10.219 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -2.295 3.577 -11.218 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -2.142 2.112 -10.219 1.00 0.00 H new ATOM 167 N ARG A 11 -2.547 0.034 -16.069 1.00 0.00 N ATOM 168 CA ARG A 11 -3.628 -0.236 -17.058 1.00 0.00 C ATOM 169 C ARG A 11 -4.696 -1.142 -16.427 1.00 0.00 C ATOM 170 O ARG A 11 -4.410 -1.958 -15.577 1.00 0.00 O ATOM 171 CB ARG A 11 -3.005 -0.894 -18.306 1.00 0.00 C ATOM 172 CG ARG A 11 -3.852 -2.073 -18.801 1.00 0.00 C ATOM 173 CD ARG A 11 -3.490 -3.324 -18.001 1.00 0.00 C ATOM 174 NE ARG A 11 -4.652 -4.257 -17.981 1.00 0.00 N ATOM 175 CZ ARG A 11 -4.816 -5.116 -18.950 1.00 0.00 C ATOM 176 NH1 ARG A 11 -4.799 -4.712 -20.192 1.00 0.00 N ATOM 177 NH2 ARG A 11 -4.995 -6.381 -18.679 1.00 0.00 N ATOM 0 H ARG A 11 -1.777 -0.635 -16.073 1.00 0.00 H new ATOM 0 HA ARG A 11 -4.112 0.695 -17.354 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -2.911 -0.154 -19.100 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -1.998 -1.241 -18.072 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -4.912 -1.848 -18.686 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -3.675 -2.242 -19.863 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -2.624 -3.815 -18.446 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -3.213 -3.050 -16.983 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.319 -4.224 -17.210 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -4.657 -3.725 -20.405 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.927 -5.384 -20.949 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -5.007 -6.698 -17.710 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -5.123 -7.052 -19.437 1.00 0.00 H new ATOM 191 N THR A 12 -5.923 -1.000 -16.854 1.00 0.00 N ATOM 192 CA THR A 12 -7.016 -1.848 -16.297 1.00 0.00 C ATOM 193 C THR A 12 -7.431 -2.879 -17.353 1.00 0.00 C ATOM 194 O THR A 12 -6.878 -2.906 -18.435 1.00 0.00 O ATOM 195 CB THR A 12 -8.222 -0.972 -15.927 1.00 0.00 C ATOM 196 OG1 THR A 12 -9.183 -1.031 -16.972 1.00 0.00 O ATOM 197 CG2 THR A 12 -7.779 0.478 -15.722 1.00 0.00 C ATOM 0 H THR A 12 -6.215 -0.331 -17.566 1.00 0.00 H new ATOM 0 HA THR A 12 -6.663 -2.357 -15.400 1.00 0.00 H new ATOM 0 HB THR A 12 -8.661 -1.342 -15.000 1.00 0.00 H new ATOM 0 HG1 THR A 12 -10.016 -0.609 -16.675 1.00 0.00 H new ATOM 0 HG21 THR A 12 -8.643 1.089 -15.460 1.00 0.00 H new ATOM 0 HG22 THR A 12 -7.045 0.524 -14.918 1.00 0.00 H new ATOM 0 HG23 THR A 12 -7.333 0.856 -16.642 1.00 0.00 H new ATOM 205 N PRO A 13 -8.387 -3.703 -17.007 1.00 0.00 N ATOM 206 CA PRO A 13 -8.889 -4.753 -17.909 1.00 0.00 C ATOM 207 C PRO A 13 -9.864 -4.163 -18.930 1.00 0.00 C ATOM 208 O PRO A 13 -10.308 -4.834 -19.840 1.00 0.00 O ATOM 209 CB PRO A 13 -9.605 -5.722 -16.964 1.00 0.00 C ATOM 210 CG PRO A 13 -9.966 -4.912 -15.696 1.00 0.00 C ATOM 211 CD PRO A 13 -9.056 -3.668 -15.690 1.00 0.00 C ATOM 0 HA PRO A 13 -8.101 -5.233 -18.489 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -10.501 -6.130 -17.432 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -8.963 -6.567 -16.715 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -11.017 -4.623 -15.708 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.810 -5.510 -14.798 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.633 -2.753 -15.561 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.333 -3.707 -14.875 1.00 0.00 H new ATOM 219 N SER A 14 -10.199 -2.909 -18.790 1.00 0.00 N ATOM 220 CA SER A 14 -11.143 -2.278 -19.754 1.00 0.00 C ATOM 221 C SER A 14 -10.369 -1.347 -20.689 1.00 0.00 C ATOM 222 O SER A 14 -10.947 -0.619 -21.473 1.00 0.00 O ATOM 223 CB SER A 14 -12.193 -1.475 -18.988 1.00 0.00 C ATOM 224 OG SER A 14 -13.310 -1.234 -19.835 1.00 0.00 O ATOM 0 H SER A 14 -9.859 -2.295 -18.050 1.00 0.00 H new ATOM 0 HA SER A 14 -11.637 -3.053 -20.340 1.00 0.00 H new ATOM 0 HB2 SER A 14 -12.508 -2.021 -18.099 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.769 -0.530 -18.649 1.00 0.00 H new ATOM 0 HG SER A 14 -12.995 -0.965 -20.723 1.00 0.00 H new ATOM 230 N GLY A 15 -9.066 -1.361 -20.615 1.00 0.00 N ATOM 231 CA GLY A 15 -8.261 -0.477 -21.501 1.00 0.00 C ATOM 232 C GLY A 15 -8.083 0.889 -20.836 1.00 0.00 C ATOM 233 O GLY A 15 -7.796 1.874 -21.488 1.00 0.00 O ATOM 0 H GLY A 15 -8.525 -1.947 -19.979 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.288 -0.928 -21.695 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -8.757 -0.362 -22.465 1.00 0.00 H new ATOM 237 N GLU A 16 -8.251 0.960 -19.544 1.00 0.00 N ATOM 238 CA GLU A 16 -8.090 2.264 -18.844 1.00 0.00 C ATOM 239 C GLU A 16 -6.659 2.385 -18.315 1.00 0.00 C ATOM 240 O GLU A 16 -5.950 1.406 -18.184 1.00 0.00 O ATOM 241 CB GLU A 16 -9.075 2.343 -17.675 1.00 0.00 C ATOM 242 CG GLU A 16 -10.091 3.457 -17.939 1.00 0.00 C ATOM 243 CD GLU A 16 -10.914 3.114 -19.182 1.00 0.00 C ATOM 244 OE1 GLU A 16 -11.266 1.956 -19.335 1.00 0.00 O ATOM 245 OE2 GLU A 16 -11.179 4.015 -19.960 1.00 0.00 O ATOM 0 H GLU A 16 -8.493 0.171 -18.944 1.00 0.00 H new ATOM 0 HA GLU A 16 -8.290 3.077 -19.542 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.588 1.389 -17.553 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -8.539 2.538 -16.746 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.747 3.577 -17.077 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.576 4.407 -18.082 1.00 0.00 H new ATOM 252 N PHE A 17 -6.226 3.578 -18.011 1.00 0.00 N ATOM 253 CA PHE A 17 -4.840 3.759 -17.493 1.00 0.00 C ATOM 254 C PHE A 17 -4.854 4.741 -16.320 1.00 0.00 C ATOM 255 O PHE A 17 -5.300 5.864 -16.445 1.00 0.00 O ATOM 256 CB PHE A 17 -3.951 4.329 -18.605 1.00 0.00 C ATOM 257 CG PHE A 17 -3.174 3.221 -19.276 1.00 0.00 C ATOM 258 CD1 PHE A 17 -1.935 2.815 -18.760 1.00 0.00 C ATOM 259 CD2 PHE A 17 -3.685 2.606 -20.426 1.00 0.00 C ATOM 260 CE1 PHE A 17 -1.212 1.797 -19.393 1.00 0.00 C ATOM 261 CE2 PHE A 17 -2.960 1.590 -21.060 1.00 0.00 C ATOM 262 CZ PHE A 17 -1.724 1.185 -20.543 1.00 0.00 C ATOM 0 H PHE A 17 -6.772 4.435 -18.099 1.00 0.00 H new ATOM 0 HA PHE A 17 -4.452 2.795 -17.163 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.565 4.848 -19.341 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.263 5.064 -18.188 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.538 3.288 -17.874 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -4.640 2.916 -20.824 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -0.259 1.484 -18.994 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.354 1.119 -21.948 1.00 0.00 H new ATOM 0 HZ PHE A 17 -1.165 0.400 -21.031 1.00 0.00 H new ATOM 272 N LEU A 18 -4.347 4.339 -15.187 1.00 0.00 N ATOM 273 CA LEU A 18 -4.309 5.258 -14.023 1.00 0.00 C ATOM 274 C LEU A 18 -2.905 5.832 -13.917 1.00 0.00 C ATOM 275 O LEU A 18 -1.965 5.145 -13.560 1.00 0.00 O ATOM 276 CB LEU A 18 -4.619 4.521 -12.714 1.00 0.00 C ATOM 277 CG LEU A 18 -5.911 3.718 -12.828 1.00 0.00 C ATOM 278 CD1 LEU A 18 -7.037 4.593 -13.383 1.00 0.00 C ATOM 279 CD2 LEU A 18 -5.678 2.533 -13.754 1.00 0.00 C ATOM 0 H LEU A 18 -3.958 3.411 -15.020 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.058 6.036 -14.172 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.794 3.854 -12.464 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -4.705 5.240 -11.900 1.00 0.00 H new ATOM 0 HG LEU A 18 -6.203 3.365 -11.839 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -7.952 4.005 -13.458 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -7.203 5.439 -12.716 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -6.759 4.960 -14.371 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -6.597 1.953 -13.841 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -5.382 2.894 -14.739 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.888 1.902 -13.346 1.00 0.00 H new ATOM 291 N GLU A 19 -2.760 7.084 -14.208 1.00 0.00 N ATOM 292 CA GLU A 19 -1.417 7.713 -14.097 1.00 0.00 C ATOM 293 C GLU A 19 -1.196 8.030 -12.625 1.00 0.00 C ATOM 294 O GLU A 19 -2.063 8.579 -11.973 1.00 0.00 O ATOM 295 CB GLU A 19 -1.369 9.002 -14.922 1.00 0.00 C ATOM 296 CG GLU A 19 -1.419 8.658 -16.413 1.00 0.00 C ATOM 297 CD GLU A 19 -2.830 8.906 -16.947 1.00 0.00 C ATOM 298 OE1 GLU A 19 -3.705 8.110 -16.642 1.00 0.00 O ATOM 299 OE2 GLU A 19 -3.013 9.884 -17.651 1.00 0.00 O ATOM 0 H GLU A 19 -3.509 7.703 -14.518 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.643 7.045 -14.474 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.208 9.646 -14.658 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -0.458 9.557 -14.697 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -0.699 9.266 -16.962 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -1.139 7.616 -16.566 1.00 0.00 H new ATOM 306 N ARG A 20 -0.081 7.658 -12.064 1.00 0.00 N ATOM 307 CA ARG A 20 0.094 7.923 -10.611 1.00 0.00 C ATOM 308 C ARG A 20 1.492 8.445 -10.282 1.00 0.00 C ATOM 309 O ARG A 20 2.494 7.912 -10.716 1.00 0.00 O ATOM 310 CB ARG A 20 -0.143 6.612 -9.857 1.00 0.00 C ATOM 311 CG ARG A 20 -0.422 6.878 -8.371 1.00 0.00 C ATOM 312 CD ARG A 20 -1.349 8.075 -8.207 1.00 0.00 C ATOM 313 NE ARG A 20 -1.850 8.130 -6.805 1.00 0.00 N ATOM 314 CZ ARG A 20 -2.173 9.277 -6.271 1.00 0.00 C ATOM 315 NH1 ARG A 20 -1.541 9.706 -5.213 1.00 0.00 N ATOM 316 NH2 ARG A 20 -3.129 9.995 -6.795 1.00 0.00 N ATOM 0 H ARG A 20 0.697 7.194 -12.533 1.00 0.00 H new ATOM 0 HA ARG A 20 -0.619 8.692 -10.312 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -0.985 6.080 -10.300 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.730 5.967 -9.958 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.874 5.996 -7.916 1.00 0.00 H new ATOM 0 HG3 ARG A 20 0.516 7.062 -7.846 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.818 8.995 -8.451 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -2.186 7.997 -8.900 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.941 7.271 -6.262 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -0.794 9.145 -4.803 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -1.794 10.602 -4.796 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.624 9.660 -7.622 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -3.381 10.891 -6.378 1.00 0.00 H new ATOM 330 N ARG A 21 1.549 9.461 -9.466 1.00 0.00 N ATOM 331 CA ARG A 21 2.857 10.016 -9.025 1.00 0.00 C ATOM 332 C ARG A 21 3.042 9.573 -7.577 1.00 0.00 C ATOM 333 O ARG A 21 2.198 9.822 -6.738 1.00 0.00 O ATOM 334 CB ARG A 21 2.837 11.543 -9.109 1.00 0.00 C ATOM 335 CG ARG A 21 4.255 12.057 -9.370 1.00 0.00 C ATOM 336 CD ARG A 21 4.667 13.011 -8.249 1.00 0.00 C ATOM 337 NE ARG A 21 4.852 14.380 -8.807 1.00 0.00 N ATOM 338 CZ ARG A 21 3.844 15.003 -9.353 1.00 0.00 C ATOM 339 NH1 ARG A 21 3.714 15.021 -10.651 1.00 0.00 N ATOM 340 NH2 ARG A 21 2.965 15.607 -8.601 1.00 0.00 N ATOM 0 H ARG A 21 0.732 9.936 -9.081 1.00 0.00 H new ATOM 0 HA ARG A 21 3.672 9.662 -9.657 1.00 0.00 H new ATOM 0 HB2 ARG A 21 2.169 11.865 -9.908 1.00 0.00 H new ATOM 0 HB3 ARG A 21 2.451 11.964 -8.181 1.00 0.00 H new ATOM 0 HG2 ARG A 21 4.952 11.221 -9.424 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.296 12.569 -10.331 1.00 0.00 H new ATOM 0 HD2 ARG A 21 3.905 13.024 -7.469 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.592 12.667 -7.786 1.00 0.00 H new ATOM 0 HE ARG A 21 5.766 14.830 -8.762 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.400 14.548 -11.239 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.926 15.508 -11.078 1.00 0.00 H new ATOM 0 HH21 ARG A 21 3.066 15.592 -7.586 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.177 16.094 -9.028 1.00 0.00 H new ATOM 354 N PHE A 22 4.092 8.868 -7.277 1.00 0.00 N ATOM 355 CA PHE A 22 4.252 8.367 -5.887 1.00 0.00 C ATOM 356 C PHE A 22 5.475 8.940 -5.191 1.00 0.00 C ATOM 357 O PHE A 22 6.567 8.920 -5.715 1.00 0.00 O ATOM 358 CB PHE A 22 4.459 6.863 -5.920 1.00 0.00 C ATOM 359 CG PHE A 22 3.209 6.156 -6.353 1.00 0.00 C ATOM 360 CD1 PHE A 22 2.189 5.906 -5.431 1.00 0.00 C ATOM 361 CD2 PHE A 22 3.077 5.732 -7.678 1.00 0.00 C ATOM 362 CE1 PHE A 22 1.037 5.236 -5.841 1.00 0.00 C ATOM 363 CE2 PHE A 22 1.923 5.064 -8.084 1.00 0.00 C ATOM 364 CZ PHE A 22 0.905 4.816 -7.166 1.00 0.00 C ATOM 0 H PHE A 22 4.839 8.619 -7.925 1.00 0.00 H new ATOM 0 HA PHE A 22 3.352 8.665 -5.349 1.00 0.00 H new ATOM 0 HB2 PHE A 22 5.273 6.620 -6.602 1.00 0.00 H new ATOM 0 HB3 PHE A 22 4.756 6.512 -4.932 1.00 0.00 H new ATOM 0 HD1 PHE A 22 2.293 6.230 -4.406 1.00 0.00 H new ATOM 0 HD2 PHE A 22 3.869 5.922 -8.387 1.00 0.00 H new ATOM 0 HE1 PHE A 22 0.245 5.042 -5.132 1.00 0.00 H new ATOM 0 HE2 PHE A 22 1.818 4.739 -9.109 1.00 0.00 H new ATOM 0 HZ PHE A 22 0.011 4.297 -7.480 1.00 0.00 H new ATOM 374 N LEU A 23 5.312 9.353 -3.969 1.00 0.00 N ATOM 375 CA LEU A 23 6.483 9.821 -3.197 1.00 0.00 C ATOM 376 C LEU A 23 7.142 8.560 -2.641 1.00 0.00 C ATOM 377 O LEU A 23 6.496 7.743 -2.027 1.00 0.00 O ATOM 378 CB LEU A 23 6.030 10.729 -2.050 1.00 0.00 C ATOM 379 CG LEU A 23 7.030 11.873 -1.881 1.00 0.00 C ATOM 380 CD1 LEU A 23 8.412 11.301 -1.558 1.00 0.00 C ATOM 381 CD2 LEU A 23 7.106 12.680 -3.179 1.00 0.00 C ATOM 0 H LEU A 23 4.420 9.386 -3.475 1.00 0.00 H new ATOM 0 HA LEU A 23 7.171 10.397 -3.816 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.037 11.127 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.957 10.156 -1.126 1.00 0.00 H new ATOM 0 HG LEU A 23 6.705 12.521 -1.067 1.00 0.00 H new ATOM 0 HD11 LEU A 23 9.124 12.117 -1.438 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.361 10.725 -0.634 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.737 10.653 -2.372 1.00 0.00 H new ATOM 0 HD21 LEU A 23 7.819 13.496 -3.059 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.431 12.031 -3.992 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.123 13.089 -3.411 1.00 0.00 H new ATOM 393 N ALA A 24 8.400 8.365 -2.890 1.00 0.00 N ATOM 394 CA ALA A 24 9.080 7.122 -2.407 1.00 0.00 C ATOM 395 C ALA A 24 8.590 6.708 -1.007 1.00 0.00 C ATOM 396 O ALA A 24 8.646 5.542 -0.643 1.00 0.00 O ATOM 397 CB ALA A 24 10.586 7.376 -2.358 1.00 0.00 C ATOM 0 H ALA A 24 8.996 9.010 -3.408 1.00 0.00 H new ATOM 0 HA ALA A 24 8.843 6.311 -3.096 1.00 0.00 H new ATOM 0 HB1 ALA A 24 11.095 6.478 -2.008 1.00 0.00 H new ATOM 0 HB2 ALA A 24 10.945 7.631 -3.355 1.00 0.00 H new ATOM 0 HB3 ALA A 24 10.794 8.201 -1.676 1.00 0.00 H new ATOM 403 N SER A 25 8.124 7.641 -0.217 1.00 0.00 N ATOM 404 CA SER A 25 7.652 7.288 1.157 1.00 0.00 C ATOM 405 C SER A 25 6.162 6.934 1.133 1.00 0.00 C ATOM 406 O SER A 25 5.608 6.476 2.113 1.00 0.00 O ATOM 407 CB SER A 25 7.879 8.474 2.093 1.00 0.00 C ATOM 408 OG SER A 25 6.889 9.465 1.846 1.00 0.00 O ATOM 0 H SER A 25 8.050 8.628 -0.462 1.00 0.00 H new ATOM 0 HA SER A 25 8.214 6.425 1.513 1.00 0.00 H new ATOM 0 HB2 SER A 25 7.831 8.147 3.132 1.00 0.00 H new ATOM 0 HB3 SER A 25 8.874 8.891 1.936 1.00 0.00 H new ATOM 0 HG SER A 25 7.031 10.226 2.446 1.00 0.00 H new ATOM 414 N ASN A 26 5.513 7.137 0.025 1.00 0.00 N ATOM 415 CA ASN A 26 4.062 6.809 -0.066 1.00 0.00 C ATOM 416 C ASN A 26 3.839 5.379 0.424 1.00 0.00 C ATOM 417 O ASN A 26 4.764 4.704 0.831 1.00 0.00 O ATOM 418 CB ASN A 26 3.601 6.929 -1.520 1.00 0.00 C ATOM 419 CG ASN A 26 2.838 8.241 -1.710 1.00 0.00 C ATOM 420 OD1 ASN A 26 3.094 8.977 -2.641 1.00 0.00 O ATOM 421 ND2 ASN A 26 1.904 8.568 -0.858 1.00 0.00 N ATOM 0 H ASN A 26 5.924 7.518 -0.827 1.00 0.00 H new ATOM 0 HA ASN A 26 3.490 7.501 0.552 1.00 0.00 H new ATOM 0 HB2 ASN A 26 4.461 6.897 -2.189 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.963 6.085 -1.781 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.390 9.441 -0.975 1.00 0.00 H new ATOM 0 HD22 ASN A 26 1.688 7.950 -0.076 1.00 0.00 H new ATOM 428 N LYS A 27 2.622 4.908 0.389 1.00 0.00 N ATOM 429 CA LYS A 27 2.361 3.520 0.859 1.00 0.00 C ATOM 430 C LYS A 27 1.515 2.767 -0.170 1.00 0.00 C ATOM 431 O LYS A 27 0.673 3.331 -0.855 1.00 0.00 O ATOM 432 CB LYS A 27 1.628 3.561 2.203 1.00 0.00 C ATOM 433 CG LYS A 27 2.050 4.809 2.981 1.00 0.00 C ATOM 434 CD LYS A 27 0.999 5.907 2.797 1.00 0.00 C ATOM 435 CE LYS A 27 1.015 6.836 4.013 1.00 0.00 C ATOM 436 NZ LYS A 27 2.424 7.158 4.373 1.00 0.00 N ATOM 0 H LYS A 27 1.804 5.420 0.058 1.00 0.00 H new ATOM 0 HA LYS A 27 3.312 3.001 0.982 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.550 3.569 2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.857 2.665 2.781 1.00 0.00 H new ATOM 0 HG2 LYS A 27 2.161 4.571 4.039 1.00 0.00 H new ATOM 0 HG3 LYS A 27 3.021 5.158 2.630 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.205 6.474 1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.011 5.463 2.678 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.467 7.752 3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 27 0.513 6.359 4.855 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 2.451 8.049 4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 2.817 6.392 4.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.990 7.258 3.506 1.00 0.00 H new ATOM 450 N LEU A 28 1.734 1.488 -0.287 1.00 0.00 N ATOM 451 CA LEU A 28 0.951 0.698 -1.268 1.00 0.00 C ATOM 452 C LEU A 28 -0.542 0.934 -1.026 1.00 0.00 C ATOM 453 O LEU A 28 -1.301 1.139 -1.952 1.00 0.00 O ATOM 454 CB LEU A 28 1.257 -0.784 -1.099 1.00 0.00 C ATOM 455 CG LEU A 28 1.537 -1.429 -2.457 1.00 0.00 C ATOM 456 CD1 LEU A 28 2.574 -0.641 -3.252 1.00 0.00 C ATOM 457 CD2 LEU A 28 2.047 -2.845 -2.226 1.00 0.00 C ATOM 0 H LEU A 28 2.419 0.960 0.253 1.00 0.00 H new ATOM 0 HA LEU A 28 1.218 1.009 -2.278 1.00 0.00 H new ATOM 0 HB2 LEU A 28 2.119 -0.911 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.415 -1.283 -0.619 1.00 0.00 H new ATOM 0 HG LEU A 28 0.612 -1.438 -3.034 1.00 0.00 H new ATOM 0 HD11 LEU A 28 2.746 -1.130 -4.211 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.209 0.372 -3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.508 -0.601 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 28 2.252 -3.319 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.963 -2.810 -1.636 1.00 0.00 H new ATOM 0 HD23 LEU A 28 1.292 -3.421 -1.690 1.00 0.00 H new ATOM 469 N GLN A 29 -0.976 0.914 0.213 1.00 0.00 N ATOM 470 CA GLN A 29 -2.422 1.145 0.482 1.00 0.00 C ATOM 471 C GLN A 29 -2.844 2.423 -0.237 1.00 0.00 C ATOM 472 O GLN A 29 -3.914 2.497 -0.808 1.00 0.00 O ATOM 473 CB GLN A 29 -2.658 1.288 1.994 1.00 0.00 C ATOM 474 CG GLN A 29 -3.956 2.059 2.258 1.00 0.00 C ATOM 475 CD GLN A 29 -3.637 3.542 2.458 1.00 0.00 C ATOM 476 OE1 GLN A 29 -2.575 4.003 2.090 1.00 0.00 O ATOM 477 NE2 GLN A 29 -4.520 4.315 3.030 1.00 0.00 N ATOM 0 H GLN A 29 -0.396 0.750 1.036 1.00 0.00 H new ATOM 0 HA GLN A 29 -3.011 0.302 0.121 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -2.712 0.302 2.456 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -1.818 1.809 2.453 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -4.643 1.933 1.421 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -4.455 1.661 3.142 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -5.412 3.929 3.339 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -4.318 5.305 3.168 1.00 0.00 H new ATOM 486 N ILE A 30 -2.012 3.429 -0.232 1.00 0.00 N ATOM 487 CA ILE A 30 -2.391 4.676 -0.940 1.00 0.00 C ATOM 488 C ILE A 30 -2.507 4.359 -2.421 1.00 0.00 C ATOM 489 O ILE A 30 -3.434 4.763 -3.085 1.00 0.00 O ATOM 490 CB ILE A 30 -1.335 5.765 -0.704 1.00 0.00 C ATOM 491 CG1 ILE A 30 -2.070 7.095 -0.522 1.00 0.00 C ATOM 492 CG2 ILE A 30 -0.361 5.864 -1.895 1.00 0.00 C ATOM 493 CD1 ILE A 30 -1.107 8.267 -0.735 1.00 0.00 C ATOM 0 H ILE A 30 -1.100 3.439 0.225 1.00 0.00 H new ATOM 0 HA ILE A 30 -3.343 5.049 -0.562 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.747 5.520 0.181 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -2.897 7.161 -1.229 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -2.501 7.146 0.478 1.00 0.00 H new ATOM 0 HG21 ILE A 30 0.375 6.643 -1.699 1.00 0.00 H new ATOM 0 HG22 ILE A 30 0.148 4.910 -2.029 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -0.917 6.109 -2.800 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -1.643 9.207 -0.603 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -0.295 8.207 -0.010 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -0.697 8.222 -1.744 1.00 0.00 H new ATOM 505 N VAL A 31 -1.577 3.614 -2.938 1.00 0.00 N ATOM 506 CA VAL A 31 -1.663 3.255 -4.383 1.00 0.00 C ATOM 507 C VAL A 31 -3.014 2.604 -4.614 1.00 0.00 C ATOM 508 O VAL A 31 -3.773 2.979 -5.486 1.00 0.00 O ATOM 509 CB VAL A 31 -0.569 2.255 -4.766 1.00 0.00 C ATOM 510 CG1 VAL A 31 -0.336 2.338 -6.274 1.00 0.00 C ATOM 511 CG2 VAL A 31 0.725 2.587 -4.024 1.00 0.00 C ATOM 0 H VAL A 31 -0.771 3.241 -2.436 1.00 0.00 H new ATOM 0 HA VAL A 31 -1.537 4.153 -4.988 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.879 1.247 -4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.442 1.630 -6.562 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.260 2.095 -6.799 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.023 3.348 -6.539 1.00 0.00 H new ATOM 0 HG21 VAL A 31 1.498 1.871 -4.302 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.049 3.593 -4.291 1.00 0.00 H new ATOM 0 HG23 VAL A 31 0.552 2.535 -2.949 1.00 0.00 H new ATOM 521 N PHE A 32 -3.306 1.622 -3.821 1.00 0.00 N ATOM 522 CA PHE A 32 -4.596 0.898 -3.946 1.00 0.00 C ATOM 523 C PHE A 32 -5.768 1.880 -3.852 1.00 0.00 C ATOM 524 O PHE A 32 -6.733 1.776 -4.586 1.00 0.00 O ATOM 525 CB PHE A 32 -4.696 -0.112 -2.804 1.00 0.00 C ATOM 526 CG PHE A 32 -3.473 -1.012 -2.794 1.00 0.00 C ATOM 527 CD1 PHE A 32 -2.539 -0.958 -3.841 1.00 0.00 C ATOM 528 CD2 PHE A 32 -3.275 -1.907 -1.733 1.00 0.00 C ATOM 529 CE1 PHE A 32 -1.421 -1.801 -3.824 1.00 0.00 C ATOM 530 CE2 PHE A 32 -2.155 -2.745 -1.721 1.00 0.00 C ATOM 531 CZ PHE A 32 -1.233 -2.694 -2.764 1.00 0.00 C ATOM 0 H PHE A 32 -2.696 1.282 -3.077 1.00 0.00 H new ATOM 0 HA PHE A 32 -4.638 0.393 -4.911 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -4.780 0.412 -1.852 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -5.598 -0.713 -2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -2.683 -0.267 -4.659 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -3.989 -1.949 -0.923 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.703 -1.762 -4.630 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -2.005 -3.433 -0.902 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.371 -3.345 -2.754 1.00 0.00 H new ATOM 541 N ASP A 33 -5.706 2.826 -2.953 1.00 0.00 N ATOM 542 CA ASP A 33 -6.838 3.789 -2.818 1.00 0.00 C ATOM 543 C ASP A 33 -6.860 4.745 -4.015 1.00 0.00 C ATOM 544 O ASP A 33 -7.894 4.995 -4.607 1.00 0.00 O ATOM 545 CB ASP A 33 -6.667 4.596 -1.529 1.00 0.00 C ATOM 546 CG ASP A 33 -7.864 4.350 -0.610 1.00 0.00 C ATOM 547 OD1 ASP A 33 -8.947 4.799 -0.948 1.00 0.00 O ATOM 548 OD2 ASP A 33 -7.677 3.718 0.416 1.00 0.00 O ATOM 0 H ASP A 33 -4.927 2.973 -2.311 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.776 3.235 -2.786 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -5.744 4.307 -1.026 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.585 5.658 -1.761 1.00 0.00 H new ATOM 553 N PHE A 34 -5.731 5.288 -4.365 1.00 0.00 N ATOM 554 CA PHE A 34 -5.681 6.238 -5.506 1.00 0.00 C ATOM 555 C PHE A 34 -6.308 5.590 -6.749 1.00 0.00 C ATOM 556 O PHE A 34 -7.146 6.177 -7.404 1.00 0.00 O ATOM 557 CB PHE A 34 -4.206 6.611 -5.773 1.00 0.00 C ATOM 558 CG PHE A 34 -3.793 6.186 -7.164 1.00 0.00 C ATOM 559 CD1 PHE A 34 -4.224 6.920 -8.275 1.00 0.00 C ATOM 560 CD2 PHE A 34 -3.005 5.046 -7.339 1.00 0.00 C ATOM 561 CE1 PHE A 34 -3.867 6.511 -9.562 1.00 0.00 C ATOM 562 CE2 PHE A 34 -2.643 4.639 -8.624 1.00 0.00 C ATOM 563 CZ PHE A 34 -3.075 5.371 -9.737 1.00 0.00 C ATOM 0 H PHE A 34 -4.836 5.114 -3.907 1.00 0.00 H new ATOM 0 HA PHE A 34 -6.245 7.140 -5.270 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.071 7.687 -5.661 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -3.564 6.130 -5.034 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -4.832 7.802 -8.137 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -2.676 4.480 -6.480 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -4.202 7.074 -10.421 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.030 3.760 -8.760 1.00 0.00 H new ATOM 0 HZ PHE A 34 -2.796 5.055 -10.732 1.00 0.00 H new ATOM 573 N VAL A 35 -5.896 4.398 -7.091 1.00 0.00 N ATOM 574 CA VAL A 35 -6.480 3.760 -8.312 1.00 0.00 C ATOM 575 C VAL A 35 -7.938 3.399 -8.054 1.00 0.00 C ATOM 576 O VAL A 35 -8.814 3.774 -8.807 1.00 0.00 O ATOM 577 CB VAL A 35 -5.719 2.481 -8.707 1.00 0.00 C ATOM 578 CG1 VAL A 35 -4.712 2.807 -9.812 1.00 0.00 C ATOM 579 CG2 VAL A 35 -4.981 1.895 -7.503 1.00 0.00 C ATOM 0 H VAL A 35 -5.197 3.847 -6.593 1.00 0.00 H new ATOM 0 HA VAL A 35 -6.399 4.478 -9.128 1.00 0.00 H new ATOM 0 HB VAL A 35 -6.439 1.745 -9.065 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -4.173 1.902 -10.092 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.240 3.198 -10.682 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.004 3.553 -9.451 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.451 0.992 -7.806 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.267 2.626 -7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.699 1.649 -6.721 1.00 0.00 H new ATOM 589 N ALA A 36 -8.219 2.690 -6.994 1.00 0.00 N ATOM 590 CA ALA A 36 -9.633 2.326 -6.722 1.00 0.00 C ATOM 591 C ALA A 36 -10.480 3.596 -6.700 1.00 0.00 C ATOM 592 O ALA A 36 -11.681 3.557 -6.868 1.00 0.00 O ATOM 593 CB ALA A 36 -9.740 1.577 -5.394 1.00 0.00 C ATOM 0 H ALA A 36 -7.538 2.352 -6.314 1.00 0.00 H new ATOM 0 HA ALA A 36 -10.001 1.667 -7.508 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -10.782 1.316 -5.206 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -9.141 0.668 -5.440 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -9.374 2.212 -4.587 1.00 0.00 H new ATOM 599 N SER A 37 -9.860 4.728 -6.522 1.00 0.00 N ATOM 600 CA SER A 37 -10.631 5.999 -6.524 1.00 0.00 C ATOM 601 C SER A 37 -10.889 6.417 -7.978 1.00 0.00 C ATOM 602 O SER A 37 -11.687 7.292 -8.251 1.00 0.00 O ATOM 603 CB SER A 37 -9.828 7.087 -5.813 1.00 0.00 C ATOM 604 OG SER A 37 -10.720 8.055 -5.275 1.00 0.00 O ATOM 0 H SER A 37 -8.855 4.827 -6.376 1.00 0.00 H new ATOM 0 HA SER A 37 -11.579 5.859 -6.004 1.00 0.00 H new ATOM 0 HB2 SER A 37 -9.226 6.649 -5.017 1.00 0.00 H new ATOM 0 HB3 SER A 37 -9.138 7.560 -6.511 1.00 0.00 H new ATOM 0 HG SER A 37 -10.207 8.753 -4.817 1.00 0.00 H new ATOM 610 N LYS A 38 -10.207 5.801 -8.911 1.00 0.00 N ATOM 611 CA LYS A 38 -10.395 6.161 -10.348 1.00 0.00 C ATOM 612 C LYS A 38 -11.645 5.472 -10.912 1.00 0.00 C ATOM 613 O LYS A 38 -12.728 6.022 -10.893 1.00 0.00 O ATOM 614 CB LYS A 38 -9.162 5.710 -11.140 1.00 0.00 C ATOM 615 CG LYS A 38 -8.318 6.931 -11.521 1.00 0.00 C ATOM 616 CD LYS A 38 -7.888 7.666 -10.250 1.00 0.00 C ATOM 617 CE LYS A 38 -8.528 9.055 -10.222 1.00 0.00 C ATOM 618 NZ LYS A 38 -7.594 10.017 -9.572 1.00 0.00 N ATOM 0 H LYS A 38 -9.526 5.062 -8.738 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.522 7.240 -10.434 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -8.568 5.017 -10.544 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.470 5.174 -12.038 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.441 6.619 -12.088 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -8.892 7.598 -12.164 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.188 7.098 -9.370 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -6.802 7.754 -10.218 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -8.757 9.382 -11.236 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.471 9.022 -9.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.028 10.962 -9.552 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.397 9.706 -8.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.705 10.055 -10.110 1.00 0.00 H new ATOM 632 N GLY A 39 -11.501 4.278 -11.429 1.00 0.00 N ATOM 633 CA GLY A 39 -12.676 3.560 -12.011 1.00 0.00 C ATOM 634 C GLY A 39 -12.992 2.311 -11.182 1.00 0.00 C ATOM 635 O GLY A 39 -14.024 1.688 -11.333 1.00 0.00 O ATOM 0 H GLY A 39 -10.619 3.768 -11.473 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -13.542 4.221 -12.032 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.465 3.278 -13.043 1.00 0.00 H new ATOM 745 N LYS A 46 -6.773 -5.877 -7.121 1.00 0.00 N ATOM 746 CA LYS A 46 -5.320 -6.052 -6.839 1.00 0.00 C ATOM 747 C LYS A 46 -4.556 -5.687 -8.110 1.00 0.00 C ATOM 748 O LYS A 46 -4.906 -6.110 -9.193 1.00 0.00 O ATOM 749 CB LYS A 46 -5.033 -7.508 -6.450 1.00 0.00 C ATOM 750 CG LYS A 46 -5.044 -8.391 -7.700 1.00 0.00 C ATOM 751 CD LYS A 46 -5.456 -9.813 -7.320 1.00 0.00 C ATOM 752 CE LYS A 46 -6.869 -10.089 -7.837 1.00 0.00 C ATOM 753 NZ LYS A 46 -6.796 -10.950 -9.050 1.00 0.00 N ATOM 0 HA LYS A 46 -5.010 -5.413 -6.012 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -4.065 -7.577 -5.953 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.782 -7.858 -5.740 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.737 -7.986 -8.438 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.056 -8.399 -8.161 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -4.755 -10.532 -7.744 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -5.423 -9.936 -6.237 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -7.461 -10.580 -7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -7.371 -9.151 -8.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.284 -10.480 -9.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -5.800 -11.108 -9.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -7.253 -11.864 -8.855 1.00 0.00 H new ATOM 767 N LEU A 47 -3.535 -4.891 -8.001 1.00 0.00 N ATOM 768 CA LEU A 47 -2.785 -4.489 -9.218 1.00 0.00 C ATOM 769 C LEU A 47 -1.605 -5.433 -9.440 1.00 0.00 C ATOM 770 O LEU A 47 -1.046 -5.969 -8.510 1.00 0.00 O ATOM 771 CB LEU A 47 -2.273 -3.068 -9.031 1.00 0.00 C ATOM 772 CG LEU A 47 -3.453 -2.145 -8.746 1.00 0.00 C ATOM 773 CD1 LEU A 47 -3.042 -1.097 -7.715 1.00 0.00 C ATOM 774 CD2 LEU A 47 -3.874 -1.459 -10.043 1.00 0.00 C ATOM 0 H LEU A 47 -3.187 -4.502 -7.125 1.00 0.00 H new ATOM 0 HA LEU A 47 -3.443 -4.538 -10.086 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -1.559 -3.031 -8.208 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -1.745 -2.738 -9.926 1.00 0.00 H new ATOM 0 HG LEU A 47 -4.289 -2.723 -8.352 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.885 -0.437 -7.511 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -2.738 -1.593 -6.793 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -2.209 -0.512 -8.104 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -4.718 -0.797 -9.847 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -3.039 -0.877 -10.434 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -4.166 -2.212 -10.775 1.00 0.00 H new ATOM 786 N LEU A 48 -1.228 -5.639 -10.671 1.00 0.00 N ATOM 787 CA LEU A 48 -0.087 -6.544 -10.969 1.00 0.00 C ATOM 788 C LEU A 48 1.124 -5.699 -11.361 1.00 0.00 C ATOM 789 O LEU A 48 1.083 -4.955 -12.322 1.00 0.00 O ATOM 790 CB LEU A 48 -0.467 -7.479 -12.126 1.00 0.00 C ATOM 791 CG LEU A 48 0.784 -8.135 -12.727 1.00 0.00 C ATOM 792 CD1 LEU A 48 1.448 -7.173 -13.713 1.00 0.00 C ATOM 793 CD2 LEU A 48 1.778 -8.492 -11.615 1.00 0.00 C ATOM 0 H LEU A 48 -1.666 -5.215 -11.489 1.00 0.00 H new ATOM 0 HA LEU A 48 0.154 -7.143 -10.091 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.151 -8.249 -11.768 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.994 -6.917 -12.896 1.00 0.00 H new ATOM 0 HG LEU A 48 0.488 -9.045 -13.249 1.00 0.00 H new ATOM 0 HD11 LEU A 48 2.336 -7.642 -14.137 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.748 -6.931 -14.513 1.00 0.00 H new ATOM 0 HD13 LEU A 48 1.734 -6.259 -13.193 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.662 -8.957 -12.052 1.00 0.00 H new ATOM 0 HD22 LEU A 48 2.070 -7.586 -11.083 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.310 -9.187 -10.918 1.00 0.00 H new ATOM 805 N SER A 49 2.203 -5.800 -10.627 1.00 0.00 N ATOM 806 CA SER A 49 3.406 -4.993 -10.975 1.00 0.00 C ATOM 807 C SER A 49 4.076 -5.633 -12.186 1.00 0.00 C ATOM 808 O SER A 49 4.449 -6.794 -12.163 1.00 0.00 O ATOM 809 CB SER A 49 4.384 -4.962 -9.795 1.00 0.00 C ATOM 810 OG SER A 49 4.203 -6.127 -9.001 1.00 0.00 O ATOM 0 H SER A 49 2.301 -6.402 -9.809 1.00 0.00 H new ATOM 0 HA SER A 49 3.112 -3.968 -11.203 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.410 -4.913 -10.160 1.00 0.00 H new ATOM 0 HB3 SER A 49 4.217 -4.069 -9.193 1.00 0.00 H new ATOM 0 HG SER A 49 3.883 -6.861 -9.566 1.00 0.00 H new ATOM 816 N THR A 50 4.207 -4.882 -13.247 1.00 0.00 N ATOM 817 CA THR A 50 4.821 -5.424 -14.489 1.00 0.00 C ATOM 818 C THR A 50 6.345 -5.436 -14.369 1.00 0.00 C ATOM 819 O THR A 50 6.992 -6.376 -14.784 1.00 0.00 O ATOM 820 CB THR A 50 4.404 -4.550 -15.676 1.00 0.00 C ATOM 821 OG1 THR A 50 5.108 -3.317 -15.625 1.00 0.00 O ATOM 822 CG2 THR A 50 2.896 -4.282 -15.613 1.00 0.00 C ATOM 0 H THR A 50 3.911 -3.907 -13.304 1.00 0.00 H new ATOM 0 HA THR A 50 4.477 -6.447 -14.642 1.00 0.00 H new ATOM 0 HB THR A 50 4.640 -5.066 -16.607 1.00 0.00 H new ATOM 0 HG1 THR A 50 4.749 -2.765 -14.899 1.00 0.00 H new ATOM 0 HG21 THR A 50 2.601 -3.660 -16.458 1.00 0.00 H new ATOM 0 HG22 THR A 50 2.356 -5.228 -15.653 1.00 0.00 H new ATOM 0 HG23 THR A 50 2.657 -3.767 -14.683 1.00 0.00 H new ATOM 830 N PHE A 51 6.932 -4.409 -13.810 1.00 0.00 N ATOM 831 CA PHE A 51 8.415 -4.402 -13.682 1.00 0.00 C ATOM 832 C PHE A 51 8.863 -5.769 -13.155 1.00 0.00 C ATOM 833 O PHE A 51 9.573 -6.482 -13.835 1.00 0.00 O ATOM 834 CB PHE A 51 8.862 -3.285 -12.735 1.00 0.00 C ATOM 835 CG PHE A 51 9.568 -2.208 -13.522 1.00 0.00 C ATOM 836 CD1 PHE A 51 8.912 -1.569 -14.579 1.00 0.00 C ATOM 837 CD2 PHE A 51 10.881 -1.849 -13.193 1.00 0.00 C ATOM 838 CE1 PHE A 51 9.567 -0.570 -15.309 1.00 0.00 C ATOM 839 CE2 PHE A 51 11.537 -0.851 -13.921 1.00 0.00 C ATOM 840 CZ PHE A 51 10.880 -0.210 -14.980 1.00 0.00 C ATOM 0 H PHE A 51 6.454 -3.587 -13.442 1.00 0.00 H new ATOM 0 HA PHE A 51 8.872 -4.216 -14.654 1.00 0.00 H new ATOM 0 HB2 PHE A 51 7.999 -2.865 -12.218 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.527 -3.687 -11.971 1.00 0.00 H new ATOM 0 HD1 PHE A 51 7.899 -1.846 -14.832 1.00 0.00 H new ATOM 0 HD2 PHE A 51 11.387 -2.343 -12.377 1.00 0.00 H new ATOM 0 HE1 PHE A 51 9.060 -0.077 -16.125 1.00 0.00 H new ATOM 0 HE2 PHE A 51 12.550 -0.574 -13.667 1.00 0.00 H new ATOM 0 HZ PHE A 51 11.386 0.561 -15.542 1.00 0.00 H new ATOM 850 N PRO A 52 8.407 -6.117 -11.974 1.00 0.00 N ATOM 851 CA PRO A 52 8.723 -7.419 -11.367 1.00 0.00 C ATOM 852 C PRO A 52 7.774 -8.475 -11.940 1.00 0.00 C ATOM 853 O PRO A 52 8.111 -9.636 -12.058 1.00 0.00 O ATOM 854 CB PRO A 52 8.431 -7.208 -9.883 1.00 0.00 C ATOM 855 CG PRO A 52 7.428 -6.033 -9.804 1.00 0.00 C ATOM 856 CD PRO A 52 7.551 -5.256 -11.130 1.00 0.00 C ATOM 0 HA PRO A 52 9.745 -7.751 -11.551 1.00 0.00 H new ATOM 0 HB2 PRO A 52 8.011 -8.109 -9.437 1.00 0.00 H new ATOM 0 HB3 PRO A 52 9.345 -6.977 -9.335 1.00 0.00 H new ATOM 0 HG2 PRO A 52 6.411 -6.401 -9.664 1.00 0.00 H new ATOM 0 HG3 PRO A 52 7.654 -5.388 -8.955 1.00 0.00 H new ATOM 0 HD2 PRO A 52 6.576 -5.092 -11.588 1.00 0.00 H new ATOM 0 HD3 PRO A 52 8.000 -4.275 -10.977 1.00 0.00 H new ATOM 864 N ARG A 53 6.580 -8.064 -12.287 1.00 0.00 N ATOM 865 CA ARG A 53 5.584 -9.021 -12.845 1.00 0.00 C ATOM 866 C ARG A 53 4.963 -9.821 -11.699 1.00 0.00 C ATOM 867 O ARG A 53 4.808 -11.022 -11.784 1.00 0.00 O ATOM 868 CB ARG A 53 6.276 -9.977 -13.819 1.00 0.00 C ATOM 869 CG ARG A 53 5.421 -10.132 -15.080 1.00 0.00 C ATOM 870 CD ARG A 53 4.417 -11.268 -14.879 1.00 0.00 C ATOM 871 NE ARG A 53 3.056 -10.802 -15.266 1.00 0.00 N ATOM 872 CZ ARG A 53 2.431 -11.367 -16.262 1.00 0.00 C ATOM 873 NH1 ARG A 53 1.329 -12.033 -16.048 1.00 0.00 N ATOM 874 NH2 ARG A 53 2.909 -11.269 -17.472 1.00 0.00 N ATOM 0 H ARG A 53 6.253 -7.101 -12.206 1.00 0.00 H new ATOM 0 HA ARG A 53 4.806 -8.471 -13.375 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.263 -9.595 -14.081 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.426 -10.948 -13.347 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.895 -9.201 -15.292 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.057 -10.342 -15.940 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.702 -12.131 -15.481 1.00 0.00 H new ATOM 0 HD3 ARG A 53 4.420 -11.591 -13.838 1.00 0.00 H new ATOM 0 HE ARG A 53 2.613 -10.041 -14.752 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.956 -12.112 -15.102 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.841 -12.475 -16.827 1.00 0.00 H new ATOM 0 HH21 ARG A 53 3.771 -10.751 -17.639 1.00 0.00 H new ATOM 0 HH22 ARG A 53 2.420 -11.711 -18.251 1.00 0.00 H new ATOM 888 N ARG A 54 4.614 -9.170 -10.620 1.00 0.00 N ATOM 889 CA ARG A 54 4.014 -9.921 -9.476 1.00 0.00 C ATOM 890 C ARG A 54 2.811 -9.165 -8.908 1.00 0.00 C ATOM 891 O ARG A 54 2.635 -7.988 -9.144 1.00 0.00 O ATOM 892 CB ARG A 54 5.072 -10.118 -8.388 1.00 0.00 C ATOM 893 CG ARG A 54 5.290 -8.813 -7.620 1.00 0.00 C ATOM 894 CD ARG A 54 6.702 -8.801 -7.020 1.00 0.00 C ATOM 895 NE ARG A 54 7.140 -10.200 -6.739 1.00 0.00 N ATOM 896 CZ ARG A 54 7.247 -10.617 -5.507 1.00 0.00 C ATOM 897 NH1 ARG A 54 6.369 -10.249 -4.613 1.00 0.00 N ATOM 898 NH2 ARG A 54 8.232 -11.403 -5.168 1.00 0.00 N ATOM 0 H ARG A 54 4.716 -8.165 -10.481 1.00 0.00 H new ATOM 0 HA ARG A 54 3.671 -10.893 -9.830 1.00 0.00 H new ATOM 0 HB2 ARG A 54 4.756 -10.904 -7.702 1.00 0.00 H new ATOM 0 HB3 ARG A 54 6.010 -10.445 -8.837 1.00 0.00 H new ATOM 0 HG2 ARG A 54 5.160 -7.960 -8.287 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.547 -8.716 -6.829 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.397 -8.324 -7.711 1.00 0.00 H new ATOM 0 HD3 ARG A 54 6.712 -8.215 -6.101 1.00 0.00 H new ATOM 0 HE ARG A 54 7.356 -10.831 -7.511 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.599 -9.635 -4.877 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.454 -10.576 -3.650 1.00 0.00 H new ATOM 0 HH21 ARG A 54 8.918 -11.691 -5.866 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.316 -11.729 -4.205 1.00 0.00 H new ATOM 912 N ASP A 55 1.980 -9.841 -8.159 1.00 0.00 N ATOM 913 CA ASP A 55 0.779 -9.176 -7.571 1.00 0.00 C ATOM 914 C ASP A 55 1.192 -7.880 -6.870 1.00 0.00 C ATOM 915 O ASP A 55 1.530 -7.882 -5.708 1.00 0.00 O ATOM 916 CB ASP A 55 0.124 -10.115 -6.557 1.00 0.00 C ATOM 917 CG ASP A 55 -1.330 -10.369 -6.962 1.00 0.00 C ATOM 918 OD1 ASP A 55 -2.148 -9.491 -6.743 1.00 0.00 O ATOM 919 OD2 ASP A 55 -1.600 -11.438 -7.483 1.00 0.00 O ATOM 0 H ASP A 55 2.082 -10.829 -7.928 1.00 0.00 H new ATOM 0 HA ASP A 55 0.072 -8.944 -8.367 1.00 0.00 H new ATOM 0 HB2 ASP A 55 0.670 -11.057 -6.512 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.164 -9.676 -5.560 1.00 0.00 H new ATOM 924 N VAL A 56 1.142 -6.783 -7.581 1.00 0.00 N ATOM 925 CA VAL A 56 1.506 -5.451 -7.013 1.00 0.00 C ATOM 926 C VAL A 56 2.810 -5.536 -6.220 1.00 0.00 C ATOM 927 O VAL A 56 2.923 -6.226 -5.233 1.00 0.00 O ATOM 928 CB VAL A 56 0.349 -4.914 -6.162 1.00 0.00 C ATOM 929 CG1 VAL A 56 0.460 -5.406 -4.724 1.00 0.00 C ATOM 930 CG2 VAL A 56 0.370 -3.384 -6.179 1.00 0.00 C ATOM 0 H VAL A 56 0.856 -6.756 -8.560 1.00 0.00 H new ATOM 0 HA VAL A 56 1.677 -4.748 -7.829 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.588 -5.278 -6.583 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.371 -5.012 -4.140 1.00 0.00 H new ATOM 0 HG12 VAL A 56 0.430 -6.495 -4.709 1.00 0.00 H new ATOM 0 HG13 VAL A 56 1.401 -5.063 -4.294 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -0.452 -3.002 -5.574 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.316 -3.029 -5.771 1.00 0.00 H new ATOM 0 HG23 VAL A 56 0.261 -3.030 -7.204 1.00 0.00 H new ATOM 940 N THR A 57 3.791 -4.826 -6.693 1.00 0.00 N ATOM 941 CA THR A 57 5.149 -4.797 -6.064 1.00 0.00 C ATOM 942 C THR A 57 5.174 -5.383 -4.641 1.00 0.00 C ATOM 943 O THR A 57 5.135 -4.670 -3.661 1.00 0.00 O ATOM 944 CB THR A 57 5.646 -3.350 -6.030 1.00 0.00 C ATOM 945 OG1 THR A 57 6.475 -3.161 -4.893 1.00 0.00 O ATOM 946 CG2 THR A 57 4.453 -2.391 -5.967 1.00 0.00 C ATOM 0 H THR A 57 3.709 -4.239 -7.523 1.00 0.00 H new ATOM 0 HA THR A 57 5.801 -5.425 -6.671 1.00 0.00 H new ATOM 0 HB THR A 57 6.219 -3.144 -6.934 1.00 0.00 H new ATOM 0 HG1 THR A 57 7.412 -3.112 -5.176 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.814 -1.363 -5.943 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.824 -2.535 -6.846 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.871 -2.593 -5.067 1.00 0.00 H new ATOM 954 N GLN A 58 5.293 -6.682 -4.541 1.00 0.00 N ATOM 955 CA GLN A 58 5.393 -7.360 -3.203 1.00 0.00 C ATOM 956 C GLN A 58 4.081 -7.318 -2.411 1.00 0.00 C ATOM 957 O GLN A 58 3.978 -7.921 -1.362 1.00 0.00 O ATOM 958 CB GLN A 58 6.494 -6.688 -2.377 1.00 0.00 C ATOM 959 CG GLN A 58 7.823 -6.775 -3.130 1.00 0.00 C ATOM 960 CD GLN A 58 8.937 -7.166 -2.157 1.00 0.00 C ATOM 961 OE1 GLN A 58 9.180 -6.479 -1.185 1.00 0.00 O ATOM 962 NE2 GLN A 58 9.629 -8.251 -2.377 1.00 0.00 N ATOM 0 H GLN A 58 5.326 -7.316 -5.340 1.00 0.00 H new ATOM 0 HA GLN A 58 5.626 -8.408 -3.392 1.00 0.00 H new ATOM 0 HB2 GLN A 58 6.238 -5.645 -2.190 1.00 0.00 H new ATOM 0 HB3 GLN A 58 6.582 -7.174 -1.405 1.00 0.00 H new ATOM 0 HG2 GLN A 58 7.751 -7.510 -3.932 1.00 0.00 H new ATOM 0 HG3 GLN A 58 8.052 -5.817 -3.596 1.00 0.00 H new ATOM 0 HE21 GLN A 58 9.426 -8.829 -3.193 1.00 0.00 H new ATOM 0 HE22 GLN A 58 10.373 -8.521 -1.733 1.00 0.00 H new ATOM 971 N LEU A 59 3.080 -6.632 -2.876 1.00 0.00 N ATOM 972 CA LEU A 59 1.804 -6.598 -2.103 1.00 0.00 C ATOM 973 C LEU A 59 2.033 -5.893 -0.765 1.00 0.00 C ATOM 974 O LEU A 59 3.017 -5.206 -0.578 1.00 0.00 O ATOM 975 CB LEU A 59 1.326 -8.033 -1.857 1.00 0.00 C ATOM 976 CG LEU A 59 0.201 -8.369 -2.836 1.00 0.00 C ATOM 977 CD1 LEU A 59 -0.130 -9.860 -2.738 1.00 0.00 C ATOM 978 CD2 LEU A 59 -1.042 -7.547 -2.488 1.00 0.00 C ATOM 0 H LEU A 59 3.084 -6.099 -3.745 1.00 0.00 H new ATOM 0 HA LEU A 59 1.047 -6.054 -2.668 1.00 0.00 H new ATOM 0 HB2 LEU A 59 2.154 -8.731 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 59 0.974 -8.140 -0.831 1.00 0.00 H new ATOM 0 HG LEU A 59 0.520 -8.132 -3.851 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.932 -10.101 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.755 -10.446 -2.986 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -0.449 -10.096 -1.723 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.844 -7.787 -3.186 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -1.362 -7.783 -1.473 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.807 -6.485 -2.557 1.00 0.00 H new ATOM 990 N ASP A 60 1.124 -6.051 0.162 1.00 0.00 N ATOM 991 CA ASP A 60 1.273 -5.386 1.487 1.00 0.00 C ATOM 992 C ASP A 60 0.838 -3.922 1.368 1.00 0.00 C ATOM 993 O ASP A 60 1.652 -3.050 1.127 1.00 0.00 O ATOM 994 CB ASP A 60 2.733 -5.453 1.944 1.00 0.00 C ATOM 995 CG ASP A 60 3.307 -6.833 1.620 1.00 0.00 C ATOM 996 OD1 ASP A 60 2.631 -7.813 1.891 1.00 0.00 O ATOM 997 OD2 ASP A 60 4.413 -6.888 1.108 1.00 0.00 O ATOM 0 H ASP A 60 0.281 -6.615 0.056 1.00 0.00 H new ATOM 0 HA ASP A 60 0.649 -5.897 2.220 1.00 0.00 H new ATOM 0 HB2 ASP A 60 3.317 -4.679 1.446 1.00 0.00 H new ATOM 0 HB3 ASP A 60 2.799 -5.263 3.015 1.00 0.00 H new ATOM 1002 N PRO A 61 -0.439 -3.697 1.550 1.00 0.00 N ATOM 1003 CA PRO A 61 -1.023 -2.347 1.467 1.00 0.00 C ATOM 1004 C PRO A 61 -0.578 -1.509 2.659 1.00 0.00 C ATOM 1005 O PRO A 61 -0.790 -0.314 2.712 1.00 0.00 O ATOM 1006 CB PRO A 61 -2.534 -2.602 1.483 1.00 0.00 C ATOM 1007 CG PRO A 61 -2.730 -4.001 2.108 1.00 0.00 C ATOM 1008 CD PRO A 61 -1.410 -4.761 1.882 1.00 0.00 C ATOM 0 HA PRO A 61 -0.713 -1.792 0.582 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -3.051 -1.840 2.066 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -2.945 -2.565 0.474 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -2.958 -3.924 3.171 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -3.565 -4.523 1.640 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -1.109 -5.313 2.773 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -1.500 -5.486 1.073 1.00 0.00 H new ATOM 1016 N ASN A 62 0.063 -2.131 3.602 1.00 0.00 N ATOM 1017 CA ASN A 62 0.546 -1.385 4.797 1.00 0.00 C ATOM 1018 C ASN A 62 2.037 -1.098 4.640 1.00 0.00 C ATOM 1019 O ASN A 62 2.650 -0.471 5.480 1.00 0.00 O ATOM 1020 CB ASN A 62 0.317 -2.229 6.054 1.00 0.00 C ATOM 1021 CG ASN A 62 0.697 -1.415 7.291 1.00 0.00 C ATOM 1022 OD1 ASN A 62 1.416 -1.889 8.148 1.00 0.00 O ATOM 1023 ND2 ASN A 62 0.242 -0.199 7.421 1.00 0.00 N ATOM 0 H ASN A 62 0.276 -3.129 3.599 1.00 0.00 H new ATOM 0 HA ASN A 62 -0.000 -0.446 4.889 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -0.727 -2.535 6.114 1.00 0.00 H new ATOM 0 HB3 ASN A 62 0.914 -3.140 6.007 1.00 0.00 H new ATOM 0 HD21 ASN A 62 0.490 0.353 8.242 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -0.362 0.199 6.702 1.00 0.00 H new ATOM 1030 N LYS A 63 2.625 -1.552 3.569 1.00 0.00 N ATOM 1031 CA LYS A 63 4.074 -1.305 3.358 1.00 0.00 C ATOM 1032 C LYS A 63 4.263 0.038 2.655 1.00 0.00 C ATOM 1033 O LYS A 63 3.367 0.548 2.008 1.00 0.00 O ATOM 1034 CB LYS A 63 4.664 -2.421 2.494 1.00 0.00 C ATOM 1035 CG LYS A 63 5.856 -3.053 3.216 1.00 0.00 C ATOM 1036 CD LYS A 63 5.351 -3.945 4.352 1.00 0.00 C ATOM 1037 CE LYS A 63 6.508 -4.270 5.300 1.00 0.00 C ATOM 1038 NZ LYS A 63 7.388 -5.298 4.675 1.00 0.00 N ATOM 0 H LYS A 63 2.163 -2.084 2.831 1.00 0.00 H new ATOM 0 HA LYS A 63 4.583 -1.287 4.322 1.00 0.00 H new ATOM 0 HB2 LYS A 63 3.906 -3.177 2.292 1.00 0.00 H new ATOM 0 HB3 LYS A 63 4.980 -2.021 1.531 1.00 0.00 H new ATOM 0 HG2 LYS A 63 6.450 -3.640 2.515 1.00 0.00 H new ATOM 0 HG3 LYS A 63 6.508 -2.275 3.613 1.00 0.00 H new ATOM 0 HD2 LYS A 63 4.552 -3.441 4.896 1.00 0.00 H new ATOM 0 HD3 LYS A 63 4.930 -4.865 3.946 1.00 0.00 H new ATOM 0 HE2 LYS A 63 7.081 -3.368 5.515 1.00 0.00 H new ATOM 0 HE3 LYS A 63 6.121 -4.636 6.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 8.174 -5.519 5.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.837 -6.161 4.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.767 -4.932 3.778 1.00 0.00 H new ATOM 1052 N SER A 64 5.429 0.607 2.764 1.00 0.00 N ATOM 1053 CA SER A 64 5.691 1.906 2.093 1.00 0.00 C ATOM 1054 C SER A 64 6.218 1.596 0.697 1.00 0.00 C ATOM 1055 O SER A 64 6.399 0.447 0.346 1.00 0.00 O ATOM 1056 CB SER A 64 6.713 2.718 2.887 1.00 0.00 C ATOM 1057 OG SER A 64 7.976 2.662 2.237 1.00 0.00 O ATOM 0 H SER A 64 6.214 0.226 3.291 1.00 0.00 H new ATOM 0 HA SER A 64 4.779 2.500 2.033 1.00 0.00 H new ATOM 0 HB2 SER A 64 6.382 3.753 2.973 1.00 0.00 H new ATOM 0 HB3 SER A 64 6.797 2.325 3.900 1.00 0.00 H new ATOM 0 HG SER A 64 8.533 3.409 2.540 1.00 0.00 H new ATOM 1063 N LEU A 65 6.413 2.579 -0.128 1.00 0.00 N ATOM 1064 CA LEU A 65 6.861 2.270 -1.506 1.00 0.00 C ATOM 1065 C LEU A 65 8.314 1.824 -1.519 1.00 0.00 C ATOM 1066 O LEU A 65 8.637 0.780 -2.052 1.00 0.00 O ATOM 1067 CB LEU A 65 6.676 3.511 -2.365 1.00 0.00 C ATOM 1068 CG LEU A 65 5.195 3.647 -2.705 1.00 0.00 C ATOM 1069 CD1 LEU A 65 5.014 4.751 -3.728 1.00 0.00 C ATOM 1070 CD2 LEU A 65 4.678 2.332 -3.286 1.00 0.00 C ATOM 0 H LEU A 65 6.284 3.568 0.087 1.00 0.00 H new ATOM 0 HA LEU A 65 6.265 1.450 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.025 4.396 -1.833 1.00 0.00 H new ATOM 0 HB3 LEU A 65 7.268 3.433 -3.277 1.00 0.00 H new ATOM 0 HG LEU A 65 4.637 3.888 -1.800 1.00 0.00 H new ATOM 0 HD11 LEU A 65 3.957 4.850 -3.973 1.00 0.00 H new ATOM 0 HD12 LEU A 65 5.381 5.691 -3.317 1.00 0.00 H new ATOM 0 HD13 LEU A 65 5.574 4.506 -4.631 1.00 0.00 H new ATOM 0 HD21 LEU A 65 3.620 2.432 -3.528 1.00 0.00 H new ATOM 0 HD22 LEU A 65 5.236 2.090 -4.191 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.809 1.535 -2.555 1.00 0.00 H new ATOM 1082 N LEU A 66 9.200 2.569 -0.938 1.00 0.00 N ATOM 1083 CA LEU A 66 10.615 2.118 -0.946 1.00 0.00 C ATOM 1084 C LEU A 66 10.684 0.674 -0.451 1.00 0.00 C ATOM 1085 O LEU A 66 11.401 -0.142 -0.996 1.00 0.00 O ATOM 1086 CB LEU A 66 11.447 3.030 -0.046 1.00 0.00 C ATOM 1087 CG LEU A 66 12.140 4.108 -0.891 1.00 0.00 C ATOM 1088 CD1 LEU A 66 11.254 4.513 -2.078 1.00 0.00 C ATOM 1089 CD2 LEU A 66 12.397 5.337 -0.017 1.00 0.00 C ATOM 0 H LEU A 66 9.016 3.454 -0.466 1.00 0.00 H new ATOM 0 HA LEU A 66 11.015 2.167 -1.959 1.00 0.00 H new ATOM 0 HB2 LEU A 66 10.808 3.498 0.703 1.00 0.00 H new ATOM 0 HB3 LEU A 66 12.191 2.443 0.492 1.00 0.00 H new ATOM 0 HG LEU A 66 13.080 3.709 -1.272 1.00 0.00 H new ATOM 0 HD11 LEU A 66 11.761 5.278 -2.666 1.00 0.00 H new ATOM 0 HD12 LEU A 66 11.063 3.641 -2.704 1.00 0.00 H new ATOM 0 HD13 LEU A 66 10.308 4.908 -1.708 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.889 6.108 -0.609 1.00 0.00 H new ATOM 0 HD22 LEU A 66 11.449 5.720 0.361 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.036 5.060 0.821 1.00 0.00 H new ATOM 1101 N GLU A 67 9.932 0.342 0.559 1.00 0.00 N ATOM 1102 CA GLU A 67 9.966 -1.063 1.066 1.00 0.00 C ATOM 1103 C GLU A 67 9.535 -1.998 -0.058 1.00 0.00 C ATOM 1104 O GLU A 67 10.073 -3.075 -0.219 1.00 0.00 O ATOM 1105 CB GLU A 67 9.023 -1.266 2.265 1.00 0.00 C ATOM 1106 CG GLU A 67 8.544 0.072 2.824 1.00 0.00 C ATOM 1107 CD GLU A 67 9.750 0.917 3.246 1.00 0.00 C ATOM 1108 OE1 GLU A 67 10.275 0.669 4.318 1.00 0.00 O ATOM 1109 OE2 GLU A 67 10.127 1.797 2.490 1.00 0.00 O ATOM 0 H GLU A 67 9.301 0.972 1.053 1.00 0.00 H new ATOM 0 HA GLU A 67 10.982 -1.279 1.395 1.00 0.00 H new ATOM 0 HB2 GLU A 67 8.164 -1.863 1.959 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.538 -1.826 3.046 1.00 0.00 H new ATOM 0 HG2 GLU A 67 7.961 0.603 2.072 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.887 -0.094 3.678 1.00 0.00 H new ATOM 1116 N VAL A 68 8.575 -1.600 -0.849 1.00 0.00 N ATOM 1117 CA VAL A 68 8.144 -2.490 -1.962 1.00 0.00 C ATOM 1118 C VAL A 68 8.908 -2.120 -3.238 1.00 0.00 C ATOM 1119 O VAL A 68 8.807 -2.789 -4.248 1.00 0.00 O ATOM 1120 CB VAL A 68 6.630 -2.401 -2.174 1.00 0.00 C ATOM 1121 CG1 VAL A 68 5.919 -2.533 -0.827 1.00 0.00 C ATOM 1122 CG2 VAL A 68 6.248 -1.070 -2.810 1.00 0.00 C ATOM 0 H VAL A 68 8.078 -0.712 -0.774 1.00 0.00 H new ATOM 0 HA VAL A 68 8.375 -3.524 -1.705 1.00 0.00 H new ATOM 0 HB VAL A 68 6.328 -3.208 -2.841 1.00 0.00 H new ATOM 0 HG11 VAL A 68 4.841 -2.470 -0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 68 6.167 -3.494 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 68 6.241 -1.729 -0.165 1.00 0.00 H new ATOM 0 HG21 VAL A 68 5.168 -1.031 -2.951 1.00 0.00 H new ATOM 0 HG22 VAL A 68 6.559 -0.253 -2.159 1.00 0.00 H new ATOM 0 HG23 VAL A 68 6.743 -0.973 -3.776 1.00 0.00 H new ATOM 1132 N LYS A 69 9.711 -1.087 -3.186 1.00 0.00 N ATOM 1133 CA LYS A 69 10.531 -0.707 -4.379 1.00 0.00 C ATOM 1134 C LYS A 69 9.656 -0.223 -5.536 1.00 0.00 C ATOM 1135 O LYS A 69 9.820 -0.653 -6.661 1.00 0.00 O ATOM 1136 CB LYS A 69 11.333 -1.921 -4.852 1.00 0.00 C ATOM 1137 CG LYS A 69 12.156 -2.492 -3.690 1.00 0.00 C ATOM 1138 CD LYS A 69 11.490 -3.757 -3.131 1.00 0.00 C ATOM 1139 CE LYS A 69 11.066 -4.683 -4.277 1.00 0.00 C ATOM 1140 NZ LYS A 69 11.085 -6.097 -3.807 1.00 0.00 N ATOM 0 H LYS A 69 9.835 -0.489 -2.369 1.00 0.00 H new ATOM 0 HA LYS A 69 11.193 0.105 -4.080 1.00 0.00 H new ATOM 0 HB2 LYS A 69 10.658 -2.684 -5.240 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.994 -1.634 -5.670 1.00 0.00 H new ATOM 0 HG2 LYS A 69 13.165 -2.725 -4.031 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.251 -1.745 -2.902 1.00 0.00 H new ATOM 0 HD2 LYS A 69 12.181 -4.279 -2.469 1.00 0.00 H new ATOM 0 HD3 LYS A 69 10.620 -3.485 -2.533 1.00 0.00 H new ATOM 0 HE2 LYS A 69 10.067 -4.417 -4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 69 11.740 -4.561 -5.125 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 10.274 -6.608 -4.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 11.968 -6.553 -4.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 11.027 -6.119 -2.769 1.00 0.00 H new ATOM 1207 N GLN A 73 9.997 4.470 -12.194 1.00 0.00 N ATOM 1208 CA GLN A 73 8.967 4.359 -13.268 1.00 0.00 C ATOM 1209 C GLN A 73 8.461 2.918 -13.326 1.00 0.00 C ATOM 1210 O GLN A 73 9.203 2.005 -13.630 1.00 0.00 O ATOM 1211 CB GLN A 73 9.592 4.735 -14.613 1.00 0.00 C ATOM 1212 CG GLN A 73 10.404 6.023 -14.458 1.00 0.00 C ATOM 1213 CD GLN A 73 10.516 6.722 -15.815 1.00 0.00 C ATOM 1214 OE1 GLN A 73 9.964 7.786 -16.010 1.00 0.00 O ATOM 1215 NE2 GLN A 73 11.214 6.165 -16.767 1.00 0.00 N ATOM 0 HA GLN A 73 8.137 5.032 -13.055 1.00 0.00 H new ATOM 0 HB2 GLN A 73 10.234 3.928 -14.965 1.00 0.00 H new ATOM 0 HB3 GLN A 73 8.812 4.872 -15.362 1.00 0.00 H new ATOM 0 HG2 GLN A 73 9.924 6.683 -13.735 1.00 0.00 H new ATOM 0 HG3 GLN A 73 11.397 5.795 -14.071 1.00 0.00 H new ATOM 0 HE21 GLN A 73 11.678 5.271 -16.603 1.00 0.00 H new ATOM 0 HE22 GLN A 73 11.296 6.623 -17.675 1.00 0.00 H new ATOM 1224 N GLU A 74 7.209 2.696 -13.027 1.00 0.00 N ATOM 1225 CA GLU A 74 6.688 1.296 -13.060 1.00 0.00 C ATOM 1226 C GLU A 74 5.288 1.243 -13.697 1.00 0.00 C ATOM 1227 O GLU A 74 4.491 2.148 -13.570 1.00 0.00 O ATOM 1228 CB GLU A 74 6.659 0.735 -11.622 1.00 0.00 C ATOM 1229 CG GLU A 74 5.252 0.824 -11.013 1.00 0.00 C ATOM 1230 CD GLU A 74 4.513 -0.496 -11.237 1.00 0.00 C ATOM 1231 OE1 GLU A 74 5.064 -1.527 -10.887 1.00 0.00 O ATOM 1232 OE2 GLU A 74 3.409 -0.454 -11.754 1.00 0.00 O ATOM 0 H GLU A 74 6.531 3.412 -12.765 1.00 0.00 H new ATOM 0 HA GLU A 74 7.348 0.683 -13.674 1.00 0.00 H new ATOM 0 HB2 GLU A 74 6.989 -0.304 -11.629 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.362 1.289 -11.000 1.00 0.00 H new ATOM 0 HG2 GLU A 74 5.319 1.039 -9.946 1.00 0.00 H new ATOM 0 HG3 GLU A 74 4.698 1.645 -11.469 1.00 0.00 H new ATOM 1239 N THR A 75 4.982 0.167 -14.367 1.00 0.00 N ATOM 1240 CA THR A 75 3.635 0.030 -14.990 1.00 0.00 C ATOM 1241 C THR A 75 2.873 -1.069 -14.246 1.00 0.00 C ATOM 1242 O THR A 75 3.392 -2.142 -14.015 1.00 0.00 O ATOM 1243 CB THR A 75 3.781 -0.351 -16.465 1.00 0.00 C ATOM 1244 OG1 THR A 75 4.708 0.526 -17.090 1.00 0.00 O ATOM 1245 CG2 THR A 75 2.422 -0.239 -17.159 1.00 0.00 C ATOM 0 H THR A 75 5.608 -0.625 -14.511 1.00 0.00 H new ATOM 0 HA THR A 75 3.094 0.974 -14.926 1.00 0.00 H new ATOM 0 HB THR A 75 4.143 -1.376 -16.542 1.00 0.00 H new ATOM 0 HG1 THR A 75 4.804 0.282 -18.034 1.00 0.00 H new ATOM 0 HG21 THR A 75 2.526 -0.510 -18.209 1.00 0.00 H new ATOM 0 HG22 THR A 75 1.712 -0.912 -16.679 1.00 0.00 H new ATOM 0 HG23 THR A 75 2.058 0.786 -17.083 1.00 0.00 H new ATOM 1253 N LEU A 76 1.655 -0.813 -13.854 1.00 0.00 N ATOM 1254 CA LEU A 76 0.888 -1.855 -13.110 1.00 0.00 C ATOM 1255 C LEU A 76 -0.374 -2.234 -13.889 1.00 0.00 C ATOM 1256 O LEU A 76 -0.807 -1.527 -14.773 1.00 0.00 O ATOM 1257 CB LEU A 76 0.491 -1.318 -11.731 1.00 0.00 C ATOM 1258 CG LEU A 76 1.316 -2.020 -10.648 1.00 0.00 C ATOM 1259 CD1 LEU A 76 1.672 -1.027 -9.543 1.00 0.00 C ATOM 1260 CD2 LEU A 76 0.500 -3.161 -10.041 1.00 0.00 C ATOM 0 H LEU A 76 1.160 0.064 -14.014 1.00 0.00 H new ATOM 0 HA LEU A 76 1.516 -2.738 -12.992 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.656 -0.242 -11.688 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -0.572 -1.484 -11.557 1.00 0.00 H new ATOM 0 HG LEU A 76 2.228 -2.413 -11.097 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.259 -1.532 -8.775 1.00 0.00 H new ATOM 0 HD12 LEU A 76 2.254 -0.207 -9.964 1.00 0.00 H new ATOM 0 HD13 LEU A 76 0.758 -0.633 -9.100 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.088 -3.659 -9.271 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -0.412 -2.761 -9.599 1.00 0.00 H new ATOM 0 HD23 LEU A 76 0.241 -3.878 -10.820 1.00 0.00 H new ATOM 1272 N PHE A 77 -0.970 -3.347 -13.563 1.00 0.00 N ATOM 1273 CA PHE A 77 -2.210 -3.767 -14.277 1.00 0.00 C ATOM 1274 C PHE A 77 -3.318 -4.010 -13.244 1.00 0.00 C ATOM 1275 O PHE A 77 -3.061 -4.448 -12.145 1.00 0.00 O ATOM 1276 CB PHE A 77 -1.937 -5.055 -15.060 1.00 0.00 C ATOM 1277 CG PHE A 77 -0.926 -4.794 -16.156 1.00 0.00 C ATOM 1278 CD1 PHE A 77 -0.813 -3.519 -16.728 1.00 0.00 C ATOM 1279 CD2 PHE A 77 -0.104 -5.835 -16.604 1.00 0.00 C ATOM 1280 CE1 PHE A 77 0.121 -3.290 -17.746 1.00 0.00 C ATOM 1281 CE2 PHE A 77 0.829 -5.604 -17.621 1.00 0.00 C ATOM 1282 CZ PHE A 77 0.942 -4.332 -18.192 1.00 0.00 C ATOM 0 H PHE A 77 -0.653 -3.985 -12.833 1.00 0.00 H new ATOM 0 HA PHE A 77 -2.522 -2.988 -14.973 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -1.564 -5.827 -14.387 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -2.865 -5.430 -15.492 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -1.446 -2.714 -16.384 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -0.190 -6.818 -16.164 1.00 0.00 H new ATOM 0 HE1 PHE A 77 0.208 -2.308 -18.187 1.00 0.00 H new ATOM 0 HE2 PHE A 77 1.462 -6.408 -17.965 1.00 0.00 H new ATOM 0 HZ PHE A 77 1.662 -4.154 -18.977 1.00 0.00 H new ATOM 1292 N LEU A 78 -4.548 -3.728 -13.572 1.00 0.00 N ATOM 1293 CA LEU A 78 -5.635 -3.952 -12.575 1.00 0.00 C ATOM 1294 C LEU A 78 -6.115 -5.401 -12.655 1.00 0.00 C ATOM 1295 O LEU A 78 -6.421 -5.910 -13.714 1.00 0.00 O ATOM 1296 CB LEU A 78 -6.803 -3.005 -12.847 1.00 0.00 C ATOM 1297 CG LEU A 78 -7.187 -2.285 -11.553 1.00 0.00 C ATOM 1298 CD1 LEU A 78 -7.274 -0.788 -11.801 1.00 0.00 C ATOM 1299 CD2 LEU A 78 -8.547 -2.774 -11.063 1.00 0.00 C ATOM 0 H LEU A 78 -4.847 -3.357 -14.474 1.00 0.00 H new ATOM 0 HA LEU A 78 -5.246 -3.754 -11.576 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -6.526 -2.279 -13.611 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.656 -3.564 -13.232 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.426 -2.497 -10.802 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.548 -0.281 -10.876 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.307 -0.419 -12.144 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.029 -0.588 -12.561 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -8.810 -2.255 -10.141 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -9.302 -2.570 -11.822 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -8.502 -3.847 -10.875 1.00 0.00 H new ATOM 1311 N GLU A 79 -6.184 -6.064 -11.536 1.00 0.00 N ATOM 1312 CA GLU A 79 -6.643 -7.483 -11.527 1.00 0.00 C ATOM 1313 C GLU A 79 -7.721 -7.647 -10.454 1.00 0.00 C ATOM 1314 O GLU A 79 -7.515 -7.325 -9.303 1.00 0.00 O ATOM 1315 CB GLU A 79 -5.461 -8.405 -11.217 1.00 0.00 C ATOM 1316 CG GLU A 79 -5.648 -9.741 -11.940 1.00 0.00 C ATOM 1317 CD GLU A 79 -4.389 -10.069 -12.744 1.00 0.00 C ATOM 1318 OE1 GLU A 79 -3.660 -9.146 -13.068 1.00 0.00 O ATOM 1319 OE2 GLU A 79 -4.174 -11.237 -13.022 1.00 0.00 O ATOM 0 H GLU A 79 -5.941 -5.683 -10.621 1.00 0.00 H new ATOM 0 HA GLU A 79 -7.051 -7.746 -12.503 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -4.529 -7.937 -11.533 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -5.387 -8.569 -10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -5.847 -10.532 -11.217 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -6.512 -9.690 -12.603 1.00 0.00 H new