USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 491 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 NoAdj-H: A 203 HIS HE2 : A 203 HIS NE2 : A 301 ZNZN :(H bumps) USER MOD NoAdj-H: A 209 HIS HD1 : A 209 HIS ND1 : A 301 ZNZN :(H bumps) USER MOD Set 1.1: A 211 LYS NZ :NH3+ 147:sc= 0.359 (180deg=0) USER MOD Set 1.2: A 212 GLN : amide:sc= 0.246 K(o=0.6,f=-0.97) USER MOD Single : A 168 SER OG : rot 180:sc= 0 USER MOD Single : A 169 THR OG1 : rot 100:sc= 0.36 USER MOD Single : A 170 LYS NZ :NH3+ -120:sc=-0.00586 (180deg=-1.08) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 176 GLN : amide:sc= 0 X(o=0,f=-0.058) USER MOD Single : A 177 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 180 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 185 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 188 SER OG : rot 180:sc= 0 USER MOD Single : A 191 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 193 THR OG1 : rot 180:sc= 0 USER MOD Single : A 195 ASN : amide:sc= -0.119 K(o=-0.12,f=-0.74) USER MOD Single : A 199 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 201 GLN : amide:sc= 0.585 K(o=0.58,f=-0.0039) USER MOD Single : A 202 GLN : amide:sc= -0.154 X(o=-0.15,f=-0.15) USER MOD Single : A 204 TYR OH : rot -8:sc= 0.0658 USER MOD Single : A 207 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 208 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 214 THR OG1 : rot 75:sc= 0.8 USER MOD Single : A 215 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 217 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0269) USER MOD Single : A 219 MET CE :methyl -172:sc= 0 (180deg=-0.095) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 -4.737 -15.150 -11.309 1.00 0.00 N ATOM 2 CA SER A 168 -5.440 -14.085 -10.586 1.00 0.00 C ATOM 3 C SER A 168 -5.271 -14.204 -9.058 1.00 0.00 C ATOM 4 O SER A 168 -4.756 -15.209 -8.554 1.00 0.00 O ATOM 5 CB SER A 168 -6.921 -14.092 -10.990 1.00 0.00 C ATOM 6 OG SER A 168 -7.554 -12.878 -10.613 1.00 0.00 O ATOM 0 HA SER A 168 -4.995 -13.129 -10.864 1.00 0.00 H new ATOM 0 HB2 SER A 168 -7.008 -14.233 -12.067 1.00 0.00 H new ATOM 0 HB3 SER A 168 -7.427 -14.933 -10.517 1.00 0.00 H new ATOM 0 HG SER A 168 -8.496 -12.903 -10.881 1.00 0.00 H new ATOM 12 N THR A 169 -5.711 -13.187 -8.311 1.00 0.00 N ATOM 13 CA THR A 169 -5.632 -13.095 -6.837 1.00 0.00 C ATOM 14 C THR A 169 -6.895 -12.467 -6.231 1.00 0.00 C ATOM 15 O THR A 169 -7.595 -11.680 -6.876 1.00 0.00 O ATOM 16 CB THR A 169 -4.396 -12.284 -6.383 1.00 0.00 C ATOM 17 OG1 THR A 169 -4.277 -11.057 -7.080 1.00 0.00 O ATOM 18 CG2 THR A 169 -3.090 -13.048 -6.605 1.00 0.00 C ATOM 0 H THR A 169 -6.152 -12.367 -8.728 1.00 0.00 H new ATOM 0 HA THR A 169 -5.542 -14.119 -6.475 1.00 0.00 H new ATOM 0 HB THR A 169 -4.555 -12.104 -5.320 1.00 0.00 H new ATOM 0 HG1 THR A 169 -4.620 -10.329 -6.521 1.00 0.00 H new ATOM 0 HG21 THR A 169 -2.250 -12.438 -6.271 1.00 0.00 H new ATOM 0 HG22 THR A 169 -3.111 -13.978 -6.037 1.00 0.00 H new ATOM 0 HG23 THR A 169 -2.976 -13.273 -7.665 1.00 0.00 H new ATOM 26 N LYS A 170 -7.189 -12.805 -4.965 1.00 0.00 N ATOM 27 CA LYS A 170 -8.356 -12.310 -4.199 1.00 0.00 C ATOM 28 C LYS A 170 -8.243 -10.844 -3.735 1.00 0.00 C ATOM 29 O LYS A 170 -9.207 -10.300 -3.191 1.00 0.00 O ATOM 30 CB LYS A 170 -8.610 -13.241 -2.995 1.00 0.00 C ATOM 31 CG LYS A 170 -9.036 -14.653 -3.437 1.00 0.00 C ATOM 32 CD LYS A 170 -9.507 -15.566 -2.291 1.00 0.00 C ATOM 33 CE LYS A 170 -8.388 -16.059 -1.360 1.00 0.00 C ATOM 34 NZ LYS A 170 -8.001 -15.051 -0.350 1.00 0.00 N ATOM 0 H LYS A 170 -6.608 -13.448 -4.427 1.00 0.00 H new ATOM 0 HA LYS A 170 -9.203 -12.326 -4.885 1.00 0.00 H new ATOM 0 HB2 LYS A 170 -7.705 -13.308 -2.391 1.00 0.00 H new ATOM 0 HB3 LYS A 170 -9.385 -12.810 -2.361 1.00 0.00 H new ATOM 0 HG2 LYS A 170 -9.840 -14.564 -4.168 1.00 0.00 H new ATOM 0 HG3 LYS A 170 -8.197 -15.130 -3.943 1.00 0.00 H new ATOM 0 HD2 LYS A 170 -10.245 -15.028 -1.696 1.00 0.00 H new ATOM 0 HD3 LYS A 170 -10.012 -16.432 -2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 170 -8.716 -16.967 -0.854 1.00 0.00 H new ATOM 0 HE3 LYS A 170 -7.515 -16.324 -1.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 -6.995 -14.813 -0.465 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 -8.577 -14.194 -0.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 -8.159 -15.436 0.603 1.00 0.00 H new ATOM 48 N VAL A 171 -7.088 -10.206 -3.943 1.00 0.00 N ATOM 49 CA VAL A 171 -6.777 -8.816 -3.557 1.00 0.00 C ATOM 50 C VAL A 171 -6.068 -8.095 -4.713 1.00 0.00 C ATOM 51 O VAL A 171 -5.262 -8.691 -5.430 1.00 0.00 O ATOM 52 CB VAL A 171 -5.898 -8.793 -2.281 1.00 0.00 C ATOM 53 CG1 VAL A 171 -5.597 -7.368 -1.795 1.00 0.00 C ATOM 54 CG2 VAL A 171 -6.562 -9.531 -1.107 1.00 0.00 C ATOM 0 H VAL A 171 -6.303 -10.662 -4.407 1.00 0.00 H new ATOM 0 HA VAL A 171 -7.709 -8.295 -3.340 1.00 0.00 H new ATOM 0 HB VAL A 171 -4.975 -9.291 -2.576 1.00 0.00 H new ATOM 0 HG11 VAL A 171 -4.978 -7.412 -0.899 1.00 0.00 H new ATOM 0 HG12 VAL A 171 -5.067 -6.822 -2.575 1.00 0.00 H new ATOM 0 HG13 VAL A 171 -6.532 -6.857 -1.565 1.00 0.00 H new ATOM 0 HG21 VAL A 171 -5.910 -9.489 -0.235 1.00 0.00 H new ATOM 0 HG22 VAL A 171 -7.515 -9.057 -0.871 1.00 0.00 H new ATOM 0 HG23 VAL A 171 -6.733 -10.572 -1.382 1.00 0.00 H new ATOM 64 N GLU A 172 -6.356 -6.802 -4.879 1.00 0.00 N ATOM 65 CA GLU A 172 -5.779 -5.902 -5.889 1.00 0.00 C ATOM 66 C GLU A 172 -5.708 -4.470 -5.318 1.00 0.00 C ATOM 67 O GLU A 172 -6.634 -4.022 -4.635 1.00 0.00 O ATOM 68 CB GLU A 172 -6.644 -5.959 -7.166 1.00 0.00 C ATOM 69 CG GLU A 172 -6.220 -5.011 -8.301 1.00 0.00 C ATOM 70 CD GLU A 172 -4.816 -5.315 -8.841 1.00 0.00 C ATOM 71 OE1 GLU A 172 -3.836 -4.842 -8.214 1.00 0.00 O ATOM 72 OE2 GLU A 172 -4.716 -6.031 -9.866 1.00 0.00 O ATOM 0 H GLU A 172 -7.033 -6.326 -4.283 1.00 0.00 H new ATOM 0 HA GLU A 172 -4.766 -6.214 -6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -6.631 -6.980 -7.546 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -7.675 -5.733 -6.895 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -6.940 -5.083 -9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -6.250 -3.983 -7.939 1.00 0.00 H new ATOM 79 N ALA A 173 -4.614 -3.750 -5.585 1.00 0.00 N ATOM 80 CA ALA A 173 -4.398 -2.388 -5.091 1.00 0.00 C ATOM 81 C ALA A 173 -5.213 -1.321 -5.853 1.00 0.00 C ATOM 82 O ALA A 173 -5.890 -0.501 -5.227 1.00 0.00 O ATOM 83 CB ALA A 173 -2.894 -2.088 -5.170 1.00 0.00 C ATOM 0 H ALA A 173 -3.846 -4.101 -6.157 1.00 0.00 H new ATOM 0 HA ALA A 173 -4.753 -2.337 -4.062 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -2.705 -1.078 -4.807 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -2.348 -2.803 -4.555 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -2.560 -2.170 -6.204 1.00 0.00 H new ATOM 89 N LEU A 174 -5.145 -1.329 -7.192 1.00 0.00 N ATOM 90 CA LEU A 174 -5.819 -0.386 -8.103 1.00 0.00 C ATOM 91 C LEU A 174 -5.802 -0.877 -9.571 1.00 0.00 C ATOM 92 O LEU A 174 -5.310 -1.971 -9.863 1.00 0.00 O ATOM 93 CB LEU A 174 -5.201 1.031 -7.938 1.00 0.00 C ATOM 94 CG LEU A 174 -3.668 1.179 -8.072 1.00 0.00 C ATOM 95 CD1 LEU A 174 -3.142 0.909 -9.483 1.00 0.00 C ATOM 96 CD2 LEU A 174 -3.273 2.611 -7.707 1.00 0.00 C ATOM 0 H LEU A 174 -4.594 -2.024 -7.695 1.00 0.00 H new ATOM 0 HA LEU A 174 -6.873 -0.331 -7.830 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -5.665 1.685 -8.677 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -5.487 1.407 -6.956 1.00 0.00 H new ATOM 0 HG LEU A 174 -3.232 0.436 -7.404 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -2.059 1.032 -9.497 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -3.395 -0.110 -9.777 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -3.597 1.612 -10.181 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -2.193 2.725 -7.799 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -3.770 3.309 -8.381 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -3.574 2.821 -6.681 1.00 0.00 H new ATOM 108 N HIS A 175 -6.305 -0.044 -10.491 1.00 0.00 N ATOM 109 CA HIS A 175 -6.337 -0.265 -11.950 1.00 0.00 C ATOM 110 C HIS A 175 -5.858 0.993 -12.696 1.00 0.00 C ATOM 111 O HIS A 175 -5.935 2.102 -12.160 1.00 0.00 O ATOM 112 CB HIS A 175 -7.759 -0.667 -12.384 1.00 0.00 C ATOM 113 CG HIS A 175 -8.234 -1.957 -11.762 1.00 0.00 C ATOM 114 ND1 HIS A 175 -7.852 -3.230 -12.144 1.00 0.00 N ATOM 115 CD2 HIS A 175 -9.105 -2.081 -10.714 1.00 0.00 C ATOM 116 CE1 HIS A 175 -8.482 -4.113 -11.346 1.00 0.00 C ATOM 117 NE2 HIS A 175 -9.247 -3.434 -10.468 1.00 0.00 N ATOM 0 H HIS A 175 -6.723 0.849 -10.229 1.00 0.00 H new ATOM 0 HA HIS A 175 -5.657 -1.078 -12.206 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -8.451 0.132 -12.119 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -7.786 -0.764 -13.469 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -9.589 -1.276 -10.181 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -8.390 -5.188 -11.400 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -9.833 -3.849 -9.743 1.00 0.00 H new ATOM 126 N GLN A 176 -5.363 0.828 -13.926 1.00 0.00 N ATOM 127 CA GLN A 176 -4.818 1.904 -14.777 1.00 0.00 C ATOM 128 C GLN A 176 -5.221 1.726 -16.256 1.00 0.00 C ATOM 129 O GLN A 176 -5.827 0.717 -16.626 1.00 0.00 O ATOM 130 CB GLN A 176 -3.279 1.944 -14.637 1.00 0.00 C ATOM 131 CG GLN A 176 -2.793 2.237 -13.206 1.00 0.00 C ATOM 132 CD GLN A 176 -1.283 2.465 -13.116 1.00 0.00 C ATOM 133 OE1 GLN A 176 -0.477 1.852 -13.806 1.00 0.00 O ATOM 134 NE2 GLN A 176 -0.831 3.358 -12.259 1.00 0.00 N ATOM 0 H GLN A 176 -5.327 -0.086 -14.377 1.00 0.00 H new ATOM 0 HA GLN A 176 -5.240 2.851 -14.440 1.00 0.00 H new ATOM 0 HB2 GLN A 176 -2.869 0.988 -14.961 1.00 0.00 H new ATOM 0 HB3 GLN A 176 -2.882 2.705 -15.309 1.00 0.00 H new ATOM 0 HG2 GLN A 176 -3.310 3.119 -12.827 1.00 0.00 H new ATOM 0 HG3 GLN A 176 -3.067 1.404 -12.559 1.00 0.00 H new ATOM 0 HE21 GLN A 176 -1.484 3.880 -11.674 1.00 0.00 H new ATOM 0 HE22 GLN A 176 0.172 3.527 -12.180 1.00 0.00 H new ATOM 143 N ASN A 177 -4.886 2.705 -17.107 1.00 0.00 N ATOM 144 CA ASN A 177 -5.172 2.727 -18.555 1.00 0.00 C ATOM 145 C ASN A 177 -6.669 2.550 -18.917 1.00 0.00 C ATOM 146 O ASN A 177 -7.010 1.991 -19.965 1.00 0.00 O ATOM 147 CB ASN A 177 -4.227 1.744 -19.284 1.00 0.00 C ATOM 148 CG ASN A 177 -2.756 2.027 -19.024 1.00 0.00 C ATOM 149 OD1 ASN A 177 -2.113 1.403 -18.190 1.00 0.00 O ATOM 150 ND2 ASN A 177 -2.173 2.979 -19.719 1.00 0.00 N ATOM 0 H ASN A 177 -4.388 3.539 -16.797 1.00 0.00 H new ATOM 0 HA ASN A 177 -4.961 3.733 -18.918 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -4.457 0.727 -18.967 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -4.417 1.795 -20.356 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -1.189 3.195 -19.562 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -2.705 3.501 -20.415 1.00 0.00 H new ATOM 157 N ARG A 178 -7.571 3.029 -18.045 1.00 0.00 N ATOM 158 CA ARG A 178 -9.036 2.988 -18.230 1.00 0.00 C ATOM 159 C ARG A 178 -9.492 3.838 -19.430 1.00 0.00 C ATOM 160 O ARG A 178 -8.777 4.735 -19.882 1.00 0.00 O ATOM 161 CB ARG A 178 -9.741 3.480 -16.946 1.00 0.00 C ATOM 162 CG ARG A 178 -9.440 2.709 -15.646 1.00 0.00 C ATOM 163 CD ARG A 178 -9.825 1.222 -15.679 1.00 0.00 C ATOM 164 NE ARG A 178 -8.761 0.389 -16.265 1.00 0.00 N ATOM 165 CZ ARG A 178 -8.814 -0.908 -16.509 1.00 0.00 C ATOM 166 NH1 ARG A 178 -9.884 -1.629 -16.300 1.00 0.00 N ATOM 167 NH2 ARG A 178 -7.755 -1.512 -16.971 1.00 0.00 N ATOM 0 H ARG A 178 -7.296 3.468 -17.166 1.00 0.00 H new ATOM 0 HA ARG A 178 -9.312 1.953 -18.434 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -9.472 4.525 -16.791 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -10.817 3.450 -17.117 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -8.375 2.790 -15.430 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -9.970 3.190 -14.823 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -10.037 0.880 -14.666 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -10.742 1.098 -16.256 1.00 0.00 H new ATOM 0 HE ARG A 178 -7.892 0.864 -16.508 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -10.729 -1.192 -15.932 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -9.874 -2.628 -16.505 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -6.899 -0.983 -17.140 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -7.782 -2.513 -17.164 1.00 0.00 H new ATOM 181 N GLU A 179 -10.714 3.586 -19.907 1.00 0.00 N ATOM 182 CA GLU A 179 -11.371 4.310 -21.017 1.00 0.00 C ATOM 183 C GLU A 179 -10.526 4.385 -22.315 1.00 0.00 C ATOM 184 O GLU A 179 -10.473 5.414 -22.994 1.00 0.00 O ATOM 185 CB GLU A 179 -11.891 5.675 -20.501 1.00 0.00 C ATOM 186 CG GLU A 179 -13.269 6.084 -21.047 1.00 0.00 C ATOM 187 CD GLU A 179 -13.286 6.382 -22.552 1.00 0.00 C ATOM 188 OE1 GLU A 179 -13.007 7.547 -22.929 1.00 0.00 O ATOM 189 OE2 GLU A 179 -13.620 5.453 -23.328 1.00 0.00 O ATOM 0 H GLU A 179 -11.301 2.846 -19.522 1.00 0.00 H new ATOM 0 HA GLU A 179 -12.234 3.729 -21.342 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -11.942 5.642 -19.413 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -11.167 6.447 -20.763 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -13.982 5.286 -20.838 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -13.613 6.968 -20.509 1.00 0.00 H new ATOM 196 N MET A 180 -9.839 3.288 -22.661 1.00 0.00 N ATOM 197 CA MET A 180 -9.009 3.167 -23.872 1.00 0.00 C ATOM 198 C MET A 180 -9.867 3.378 -25.142 1.00 0.00 C ATOM 199 O MET A 180 -10.978 2.845 -25.235 1.00 0.00 O ATOM 200 CB MET A 180 -8.310 1.791 -23.850 1.00 0.00 C ATOM 201 CG MET A 180 -6.956 1.761 -24.570 1.00 0.00 C ATOM 202 SD MET A 180 -7.001 1.855 -26.379 1.00 0.00 S ATOM 203 CE MET A 180 -5.230 1.718 -26.740 1.00 0.00 C ATOM 0 H MET A 180 -9.844 2.439 -22.095 1.00 0.00 H new ATOM 0 HA MET A 180 -8.243 3.942 -23.890 1.00 0.00 H new ATOM 0 HB2 MET A 180 -8.164 1.487 -22.814 1.00 0.00 H new ATOM 0 HB3 MET A 180 -8.969 1.054 -24.309 1.00 0.00 H new ATOM 0 HG2 MET A 180 -6.354 2.591 -24.200 1.00 0.00 H new ATOM 0 HG3 MET A 180 -6.440 0.843 -24.289 1.00 0.00 H new ATOM 0 HE1 MET A 180 -5.074 1.758 -27.818 1.00 0.00 H new ATOM 0 HE2 MET A 180 -4.697 2.542 -26.266 1.00 0.00 H new ATOM 0 HE3 MET A 180 -4.852 0.771 -26.354 1.00 0.00 H new ATOM 213 N ILE A 181 -9.376 4.172 -26.105 1.00 0.00 N ATOM 214 CA ILE A 181 -10.084 4.519 -27.353 1.00 0.00 C ATOM 215 C ILE A 181 -10.567 3.288 -28.148 1.00 0.00 C ATOM 216 O ILE A 181 -9.874 2.279 -28.257 1.00 0.00 O ATOM 217 CB ILE A 181 -9.235 5.499 -28.200 1.00 0.00 C ATOM 218 CG1 ILE A 181 -10.102 6.172 -29.288 1.00 0.00 C ATOM 219 CG2 ILE A 181 -7.977 4.836 -28.792 1.00 0.00 C ATOM 220 CD1 ILE A 181 -9.402 7.320 -30.027 1.00 0.00 C ATOM 0 H ILE A 181 -8.454 4.603 -26.039 1.00 0.00 H new ATOM 0 HA ILE A 181 -11.003 5.034 -27.074 1.00 0.00 H new ATOM 0 HB ILE A 181 -8.872 6.277 -27.529 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -10.404 5.418 -30.014 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -11.013 6.553 -28.827 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -7.420 5.569 -29.376 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -7.348 4.462 -27.984 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -8.271 4.007 -29.436 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -10.078 7.738 -30.773 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -9.124 8.096 -29.314 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -8.506 6.943 -30.520 1.00 0.00 H new ATOM 232 N ASP A 182 -11.776 3.378 -28.708 1.00 0.00 N ATOM 233 CA ASP A 182 -12.474 2.311 -29.441 1.00 0.00 C ATOM 234 C ASP A 182 -12.935 2.751 -30.849 1.00 0.00 C ATOM 235 O ASP A 182 -14.130 2.968 -31.078 1.00 0.00 O ATOM 236 CB ASP A 182 -13.602 1.741 -28.553 1.00 0.00 C ATOM 237 CG ASP A 182 -14.769 2.704 -28.259 1.00 0.00 C ATOM 238 OD1 ASP A 182 -14.513 3.891 -27.939 1.00 0.00 O ATOM 239 OD2 ASP A 182 -15.934 2.240 -28.310 1.00 0.00 O ATOM 0 H ASP A 182 -12.324 4.237 -28.662 1.00 0.00 H new ATOM 0 HA ASP A 182 -11.774 1.501 -29.646 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -14.003 0.849 -29.034 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -13.168 1.424 -27.605 1.00 0.00 H new ATOM 244 N PRO A 183 -11.999 2.904 -31.808 1.00 0.00 N ATOM 245 CA PRO A 183 -12.321 3.300 -33.177 1.00 0.00 C ATOM 246 C PRO A 183 -12.999 2.159 -33.954 1.00 0.00 C ATOM 247 O PRO A 183 -12.816 0.975 -33.654 1.00 0.00 O ATOM 248 CB PRO A 183 -10.976 3.679 -33.807 1.00 0.00 C ATOM 249 CG PRO A 183 -9.982 2.772 -33.083 1.00 0.00 C ATOM 250 CD PRO A 183 -10.563 2.678 -31.673 1.00 0.00 C ATOM 0 HA PRO A 183 -13.031 4.127 -33.199 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -10.972 3.503 -34.883 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -10.743 4.733 -33.655 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -9.911 1.793 -33.556 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -8.978 3.197 -33.078 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -10.362 1.701 -31.234 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -10.112 3.422 -31.016 1.00 0.00 H new ATOM 258 N ASP A 184 -13.750 2.513 -34.997 1.00 0.00 N ATOM 259 CA ASP A 184 -14.396 1.544 -35.893 1.00 0.00 C ATOM 260 C ASP A 184 -13.414 1.188 -37.025 1.00 0.00 C ATOM 261 O ASP A 184 -12.789 2.082 -37.609 1.00 0.00 O ATOM 262 CB ASP A 184 -15.703 2.122 -36.463 1.00 0.00 C ATOM 263 CG ASP A 184 -16.815 2.367 -35.427 1.00 0.00 C ATOM 264 OD1 ASP A 184 -16.614 2.105 -34.216 1.00 0.00 O ATOM 265 OD2 ASP A 184 -17.889 2.855 -35.857 1.00 0.00 O ATOM 0 H ASP A 184 -13.930 3.485 -35.248 1.00 0.00 H new ATOM 0 HA ASP A 184 -14.651 0.642 -35.337 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -15.478 3.065 -36.962 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -16.081 1.441 -37.225 1.00 0.00 H new ATOM 270 N LYS A 185 -13.262 -0.105 -37.341 1.00 0.00 N ATOM 271 CA LYS A 185 -12.329 -0.623 -38.354 1.00 0.00 C ATOM 272 C LYS A 185 -12.977 -1.723 -39.199 1.00 0.00 C ATOM 273 O LYS A 185 -13.991 -2.302 -38.807 1.00 0.00 O ATOM 274 CB LYS A 185 -11.066 -1.145 -37.637 1.00 0.00 C ATOM 275 CG LYS A 185 -10.166 -0.074 -36.997 1.00 0.00 C ATOM 276 CD LYS A 185 -9.512 0.859 -38.027 1.00 0.00 C ATOM 277 CE LYS A 185 -8.579 1.848 -37.325 1.00 0.00 C ATOM 278 NZ LYS A 185 -7.933 2.753 -38.299 1.00 0.00 N ATOM 0 H LYS A 185 -13.800 -0.842 -36.886 1.00 0.00 H new ATOM 0 HA LYS A 185 -12.057 0.180 -39.039 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -11.376 -1.844 -36.860 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -10.471 -1.710 -38.355 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -10.758 0.521 -36.301 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -9.387 -0.564 -36.414 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -8.951 0.273 -38.755 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -10.281 1.401 -38.578 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -9.144 2.433 -36.599 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -7.816 1.302 -36.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -7.306 3.413 -37.797 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -7.376 2.194 -38.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -8.662 3.290 -38.811 1.00 0.00 H new ATOM 292 N PHE A 186 -12.385 -2.015 -40.355 1.00 0.00 N ATOM 293 CA PHE A 186 -12.871 -3.012 -41.315 1.00 0.00 C ATOM 294 C PHE A 186 -11.713 -3.717 -42.043 1.00 0.00 C ATOM 295 O PHE A 186 -10.639 -3.138 -42.231 1.00 0.00 O ATOM 296 CB PHE A 186 -13.802 -2.293 -42.313 1.00 0.00 C ATOM 297 CG PHE A 186 -14.329 -3.150 -43.452 1.00 0.00 C ATOM 298 CD1 PHE A 186 -15.299 -4.138 -43.202 1.00 0.00 C ATOM 299 CD2 PHE A 186 -13.843 -2.973 -44.762 1.00 0.00 C ATOM 300 CE1 PHE A 186 -15.743 -4.979 -44.237 1.00 0.00 C ATOM 301 CE2 PHE A 186 -14.319 -3.785 -45.808 1.00 0.00 C ATOM 302 CZ PHE A 186 -15.258 -4.798 -45.544 1.00 0.00 C ATOM 0 H PHE A 186 -11.529 -1.553 -40.661 1.00 0.00 H new ATOM 0 HA PHE A 186 -13.417 -3.793 -40.786 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -14.652 -1.888 -41.763 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -13.264 -1.445 -42.738 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -15.705 -4.251 -42.208 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -13.103 -2.212 -44.964 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -16.456 -5.763 -44.028 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -13.962 -3.630 -46.816 1.00 0.00 H new ATOM 0 HZ PHE A 186 -15.606 -5.435 -46.343 1.00 0.00 H new ATOM 312 N CYS A 187 -11.954 -4.957 -42.473 1.00 0.00 N ATOM 313 CA CYS A 187 -11.037 -5.810 -43.222 1.00 0.00 C ATOM 314 C CYS A 187 -11.717 -6.255 -44.530 1.00 0.00 C ATOM 315 O CYS A 187 -12.638 -7.078 -44.535 1.00 0.00 O ATOM 316 CB CYS A 187 -10.613 -6.998 -42.344 1.00 0.00 C ATOM 317 SG CYS A 187 -9.334 -7.979 -43.190 1.00 0.00 S ATOM 0 H CYS A 187 -12.847 -5.417 -42.296 1.00 0.00 H new ATOM 0 HA CYS A 187 -10.132 -5.266 -43.490 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -10.232 -6.636 -41.389 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -11.477 -7.625 -42.125 1.00 0.00 H new ATOM 322 N SER A 188 -11.279 -5.675 -45.652 1.00 0.00 N ATOM 323 CA SER A 188 -11.809 -5.973 -46.992 1.00 0.00 C ATOM 324 C SER A 188 -11.456 -7.394 -47.464 1.00 0.00 C ATOM 325 O SER A 188 -12.213 -8.012 -48.217 1.00 0.00 O ATOM 326 CB SER A 188 -11.262 -4.937 -47.984 1.00 0.00 C ATOM 327 OG SER A 188 -11.861 -5.054 -49.265 1.00 0.00 O ATOM 0 H SER A 188 -10.537 -4.976 -45.658 1.00 0.00 H new ATOM 0 HA SER A 188 -12.897 -5.920 -46.943 1.00 0.00 H new ATOM 0 HB2 SER A 188 -11.437 -3.935 -47.593 1.00 0.00 H new ATOM 0 HB3 SER A 188 -10.183 -5.059 -48.077 1.00 0.00 H new ATOM 0 HG SER A 188 -11.486 -4.376 -49.865 1.00 0.00 H new ATOM 333 N LEU A 189 -10.323 -7.935 -47.000 1.00 0.00 N ATOM 334 CA LEU A 189 -9.833 -9.273 -47.354 1.00 0.00 C ATOM 335 C LEU A 189 -10.648 -10.412 -46.702 1.00 0.00 C ATOM 336 O LEU A 189 -10.698 -11.516 -47.254 1.00 0.00 O ATOM 337 CB LEU A 189 -8.339 -9.390 -46.985 1.00 0.00 C ATOM 338 CG LEU A 189 -7.431 -8.249 -47.492 1.00 0.00 C ATOM 339 CD1 LEU A 189 -5.987 -8.495 -47.059 1.00 0.00 C ATOM 340 CD2 LEU A 189 -7.440 -8.096 -49.016 1.00 0.00 C ATOM 0 H LEU A 189 -9.707 -7.443 -46.353 1.00 0.00 H new ATOM 0 HA LEU A 189 -9.960 -9.390 -48.430 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -8.255 -9.441 -45.899 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -7.960 -10.333 -47.378 1.00 0.00 H new ATOM 0 HG LEU A 189 -7.832 -7.335 -47.054 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -5.355 -7.684 -47.422 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -5.935 -8.536 -45.971 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -5.639 -9.440 -47.475 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -6.781 -7.277 -49.303 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -7.092 -9.020 -49.477 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -8.454 -7.882 -49.354 1.00 0.00 H new ATOM 352 N CYS A 190 -11.289 -10.138 -45.560 1.00 0.00 N ATOM 353 CA CYS A 190 -12.068 -11.090 -44.756 1.00 0.00 C ATOM 354 C CYS A 190 -13.562 -10.721 -44.611 1.00 0.00 C ATOM 355 O CYS A 190 -14.336 -11.504 -44.050 1.00 0.00 O ATOM 356 CB CYS A 190 -11.424 -11.160 -43.355 1.00 0.00 C ATOM 357 SG CYS A 190 -9.670 -11.650 -43.396 1.00 0.00 S ATOM 0 H CYS A 190 -11.279 -9.204 -45.151 1.00 0.00 H new ATOM 0 HA CYS A 190 -12.046 -12.049 -45.274 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -11.512 -10.186 -42.873 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -11.979 -11.870 -42.742 1.00 0.00 H new ATOM 362 N HIS A 191 -13.969 -9.533 -45.082 1.00 0.00 N ATOM 363 CA HIS A 191 -15.317 -8.960 -44.937 1.00 0.00 C ATOM 364 C HIS A 191 -15.766 -8.975 -43.460 1.00 0.00 C ATOM 365 O HIS A 191 -16.804 -9.537 -43.100 1.00 0.00 O ATOM 366 CB HIS A 191 -16.290 -9.611 -45.938 1.00 0.00 C ATOM 367 CG HIS A 191 -17.554 -8.812 -46.136 1.00 0.00 C ATOM 368 ND1 HIS A 191 -17.699 -7.722 -46.975 1.00 0.00 N ATOM 369 CD2 HIS A 191 -18.757 -9.023 -45.519 1.00 0.00 C ATOM 370 CE1 HIS A 191 -18.966 -7.278 -46.870 1.00 0.00 C ATOM 371 NE2 HIS A 191 -19.625 -8.055 -45.988 1.00 0.00 N ATOM 0 H HIS A 191 -13.340 -8.917 -45.598 1.00 0.00 H new ATOM 0 HA HIS A 191 -15.308 -7.903 -45.205 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -15.788 -9.731 -46.898 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -16.549 -10.610 -45.587 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -18.985 -9.798 -44.802 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -19.385 -6.438 -47.404 1.00 0.00 H new ATOM 0 HE2 HIS A 191 -20.601 -7.947 -45.713 1.00 0.00 H new ATOM 380 N ALA A 192 -14.937 -8.375 -42.601 1.00 0.00 N ATOM 381 CA ALA A 192 -15.099 -8.323 -41.143 1.00 0.00 C ATOM 382 C ALA A 192 -14.994 -6.881 -40.611 1.00 0.00 C ATOM 383 O ALA A 192 -14.237 -6.075 -41.151 1.00 0.00 O ATOM 384 CB ALA A 192 -14.033 -9.235 -40.518 1.00 0.00 C ATOM 0 H ALA A 192 -14.097 -7.890 -42.916 1.00 0.00 H new ATOM 0 HA ALA A 192 -16.094 -8.673 -40.868 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -14.129 -9.216 -39.432 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -14.171 -10.255 -40.877 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -13.041 -8.882 -40.800 1.00 0.00 H new ATOM 390 N THR A 193 -15.741 -6.561 -39.548 1.00 0.00 N ATOM 391 CA THR A 193 -15.815 -5.218 -38.928 1.00 0.00 C ATOM 392 C THR A 193 -15.491 -5.292 -37.432 1.00 0.00 C ATOM 393 O THR A 193 -15.811 -6.291 -36.780 1.00 0.00 O ATOM 394 CB THR A 193 -17.221 -4.611 -39.123 1.00 0.00 C ATOM 395 OG1 THR A 193 -17.651 -4.731 -40.466 1.00 0.00 O ATOM 396 CG2 THR A 193 -17.297 -3.118 -38.796 1.00 0.00 C ATOM 0 H THR A 193 -16.332 -7.245 -39.075 1.00 0.00 H new ATOM 0 HA THR A 193 -15.078 -4.581 -39.417 1.00 0.00 H new ATOM 0 HB THR A 193 -17.851 -5.174 -38.434 1.00 0.00 H new ATOM 0 HG1 THR A 193 -18.545 -4.340 -40.560 1.00 0.00 H new ATOM 0 HG21 THR A 193 -18.315 -2.762 -38.956 1.00 0.00 H new ATOM 0 HG22 THR A 193 -17.017 -2.959 -37.755 1.00 0.00 H new ATOM 0 HG23 THR A 193 -16.614 -2.568 -39.444 1.00 0.00 H new ATOM 404 N PHE A 194 -14.869 -4.246 -36.875 1.00 0.00 N ATOM 405 CA PHE A 194 -14.431 -4.184 -35.474 1.00 0.00 C ATOM 406 C PHE A 194 -14.776 -2.817 -34.868 1.00 0.00 C ATOM 407 O PHE A 194 -14.762 -1.808 -35.573 1.00 0.00 O ATOM 408 CB PHE A 194 -12.912 -4.462 -35.400 1.00 0.00 C ATOM 409 CG PHE A 194 -12.403 -5.443 -36.447 1.00 0.00 C ATOM 410 CD1 PHE A 194 -12.649 -6.822 -36.311 1.00 0.00 C ATOM 411 CD2 PHE A 194 -11.803 -4.959 -37.627 1.00 0.00 C ATOM 412 CE1 PHE A 194 -12.328 -7.701 -37.359 1.00 0.00 C ATOM 413 CE2 PHE A 194 -11.479 -5.837 -38.672 1.00 0.00 C ATOM 414 CZ PHE A 194 -11.750 -7.207 -38.542 1.00 0.00 C ATOM 0 H PHE A 194 -14.651 -3.398 -37.398 1.00 0.00 H new ATOM 0 HA PHE A 194 -14.953 -4.944 -34.893 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -12.376 -3.519 -35.511 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -12.673 -4.849 -34.410 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -13.085 -7.205 -35.400 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -11.591 -3.905 -37.727 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -12.525 -8.758 -37.256 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -11.022 -5.459 -39.575 1.00 0.00 H new ATOM 0 HZ PHE A 194 -11.515 -7.883 -39.351 1.00 0.00 H new ATOM 424 N ASN A 195 -15.093 -2.777 -33.570 1.00 0.00 N ATOM 425 CA ASN A 195 -15.509 -1.559 -32.849 1.00 0.00 C ATOM 426 C ASN A 195 -14.847 -1.447 -31.453 1.00 0.00 C ATOM 427 O ASN A 195 -15.398 -0.844 -30.532 1.00 0.00 O ATOM 428 CB ASN A 195 -17.052 -1.548 -32.765 1.00 0.00 C ATOM 429 CG ASN A 195 -17.748 -1.637 -34.117 1.00 0.00 C ATOM 430 OD1 ASN A 195 -17.746 -0.713 -34.918 1.00 0.00 O ATOM 431 ND2 ASN A 195 -18.381 -2.750 -34.419 1.00 0.00 N ATOM 0 H ASN A 195 -15.069 -3.605 -32.975 1.00 0.00 H new ATOM 0 HA ASN A 195 -15.169 -0.681 -33.398 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -17.378 -2.383 -32.145 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -17.372 -0.635 -32.263 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -18.863 -2.836 -35.314 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -18.389 -3.527 -33.759 1.00 0.00 H new ATOM 438 N ASP A 196 -13.675 -2.065 -31.281 1.00 0.00 N ATOM 439 CA ASP A 196 -12.891 -2.134 -30.039 1.00 0.00 C ATOM 440 C ASP A 196 -11.387 -2.265 -30.394 1.00 0.00 C ATOM 441 O ASP A 196 -11.065 -2.873 -31.423 1.00 0.00 O ATOM 442 CB ASP A 196 -13.442 -3.332 -29.231 1.00 0.00 C ATOM 443 CG ASP A 196 -12.598 -3.744 -28.023 1.00 0.00 C ATOM 444 OD1 ASP A 196 -11.552 -4.395 -28.248 1.00 0.00 O ATOM 445 OD2 ASP A 196 -12.990 -3.402 -26.883 1.00 0.00 O ATOM 0 H ASP A 196 -13.219 -2.560 -32.048 1.00 0.00 H new ATOM 0 HA ASP A 196 -12.980 -1.235 -29.429 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -14.446 -3.086 -28.886 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -13.535 -4.189 -29.899 1.00 0.00 H new ATOM 450 N PRO A 197 -10.456 -1.709 -29.589 1.00 0.00 N ATOM 451 CA PRO A 197 -9.024 -1.702 -29.913 1.00 0.00 C ATOM 452 C PRO A 197 -8.401 -3.095 -30.019 1.00 0.00 C ATOM 453 O PRO A 197 -7.683 -3.405 -30.972 1.00 0.00 O ATOM 454 CB PRO A 197 -8.340 -0.913 -28.782 1.00 0.00 C ATOM 455 CG PRO A 197 -9.343 -0.935 -27.630 1.00 0.00 C ATOM 456 CD PRO A 197 -10.689 -0.994 -28.339 1.00 0.00 C ATOM 0 HA PRO A 197 -8.887 -1.254 -30.897 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -7.395 -1.374 -28.493 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -8.115 0.108 -29.091 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -9.192 -1.798 -26.981 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -9.256 -0.047 -27.004 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -11.430 -1.509 -27.727 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -11.074 0.008 -28.529 1.00 0.00 H new ATOM 464 N VAL A 198 -8.680 -3.940 -29.027 1.00 0.00 N ATOM 465 CA VAL A 198 -8.152 -5.303 -28.936 1.00 0.00 C ATOM 466 C VAL A 198 -8.806 -6.190 -29.992 1.00 0.00 C ATOM 467 O VAL A 198 -8.104 -6.943 -30.656 1.00 0.00 O ATOM 468 CB VAL A 198 -8.318 -5.837 -27.502 1.00 0.00 C ATOM 469 CG1 VAL A 198 -7.794 -7.270 -27.350 1.00 0.00 C ATOM 470 CG2 VAL A 198 -7.537 -4.938 -26.526 1.00 0.00 C ATOM 0 H VAL A 198 -9.291 -3.693 -28.249 1.00 0.00 H new ATOM 0 HA VAL A 198 -7.083 -5.306 -29.148 1.00 0.00 H new ATOM 0 HB VAL A 198 -9.385 -5.833 -27.280 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -7.934 -7.601 -26.321 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -8.342 -7.931 -28.021 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -6.733 -7.298 -27.599 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -7.654 -5.316 -25.510 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -6.481 -4.941 -26.795 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -7.923 -3.920 -26.581 1.00 0.00 H new ATOM 480 N MET A 199 -10.116 -6.058 -30.223 1.00 0.00 N ATOM 481 CA MET A 199 -10.840 -6.788 -31.276 1.00 0.00 C ATOM 482 C MET A 199 -10.222 -6.528 -32.660 1.00 0.00 C ATOM 483 O MET A 199 -9.966 -7.472 -33.410 1.00 0.00 O ATOM 484 CB MET A 199 -12.312 -6.352 -31.243 1.00 0.00 C ATOM 485 CG MET A 199 -13.217 -7.129 -32.202 1.00 0.00 C ATOM 486 SD MET A 199 -14.883 -6.418 -32.320 1.00 0.00 S ATOM 487 CE MET A 199 -15.659 -7.617 -33.437 1.00 0.00 C ATOM 0 H MET A 199 -10.713 -5.435 -29.679 1.00 0.00 H new ATOM 0 HA MET A 199 -10.767 -7.860 -31.092 1.00 0.00 H new ATOM 0 HB2 MET A 199 -12.691 -6.469 -30.228 1.00 0.00 H new ATOM 0 HB3 MET A 199 -12.371 -5.291 -31.485 1.00 0.00 H new ATOM 0 HG2 MET A 199 -12.762 -7.145 -33.192 1.00 0.00 H new ATOM 0 HG3 MET A 199 -13.290 -8.164 -31.868 1.00 0.00 H new ATOM 0 HE1 MET A 199 -16.695 -7.329 -33.617 1.00 0.00 H new ATOM 0 HE2 MET A 199 -15.118 -7.636 -34.383 1.00 0.00 H new ATOM 0 HE3 MET A 199 -15.632 -8.608 -32.983 1.00 0.00 H new ATOM 497 N ALA A 200 -9.940 -5.258 -32.979 1.00 0.00 N ATOM 498 CA ALA A 200 -9.288 -4.866 -34.227 1.00 0.00 C ATOM 499 C ALA A 200 -7.888 -5.490 -34.346 1.00 0.00 C ATOM 500 O ALA A 200 -7.585 -6.172 -35.327 1.00 0.00 O ATOM 501 CB ALA A 200 -9.199 -3.334 -34.275 1.00 0.00 C ATOM 0 H ALA A 200 -10.161 -4.470 -32.370 1.00 0.00 H new ATOM 0 HA ALA A 200 -9.878 -5.231 -35.068 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -8.714 -3.027 -35.202 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -10.202 -2.910 -34.232 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -8.617 -2.977 -33.425 1.00 0.00 H new ATOM 507 N GLN A 201 -7.034 -5.276 -33.337 1.00 0.00 N ATOM 508 CA GLN A 201 -5.661 -5.781 -33.339 1.00 0.00 C ATOM 509 C GLN A 201 -5.579 -7.319 -33.401 1.00 0.00 C ATOM 510 O GLN A 201 -4.734 -7.857 -34.121 1.00 0.00 O ATOM 511 CB GLN A 201 -4.915 -5.220 -32.114 1.00 0.00 C ATOM 512 CG GLN A 201 -3.439 -5.649 -32.012 1.00 0.00 C ATOM 513 CD GLN A 201 -2.585 -5.200 -33.200 1.00 0.00 C ATOM 514 OE1 GLN A 201 -1.966 -4.144 -33.194 1.00 0.00 O ATOM 515 NE2 GLN A 201 -2.522 -5.973 -34.265 1.00 0.00 N ATOM 0 H GLN A 201 -7.278 -4.748 -32.499 1.00 0.00 H new ATOM 0 HA GLN A 201 -5.177 -5.433 -34.252 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -4.962 -4.131 -32.143 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -5.436 -5.538 -31.211 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -3.014 -5.241 -31.095 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -3.390 -6.735 -31.930 1.00 0.00 H new ATOM 0 HE21 GLN A 201 -3.032 -6.856 -34.285 1.00 0.00 H new ATOM 0 HE22 GLN A 201 -1.963 -5.688 -35.069 1.00 0.00 H new ATOM 524 N GLN A 202 -6.446 -8.028 -32.670 1.00 0.00 N ATOM 525 CA GLN A 202 -6.496 -9.493 -32.632 1.00 0.00 C ATOM 526 C GLN A 202 -6.848 -10.097 -33.996 1.00 0.00 C ATOM 527 O GLN A 202 -6.305 -11.144 -34.349 1.00 0.00 O ATOM 528 CB GLN A 202 -7.495 -9.968 -31.560 1.00 0.00 C ATOM 529 CG GLN A 202 -6.925 -9.853 -30.135 1.00 0.00 C ATOM 530 CD GLN A 202 -5.774 -10.826 -29.867 1.00 0.00 C ATOM 531 OE1 GLN A 202 -5.879 -12.032 -30.049 1.00 0.00 O ATOM 532 NE2 GLN A 202 -4.628 -10.348 -29.428 1.00 0.00 N ATOM 0 H GLN A 202 -7.148 -7.589 -32.075 1.00 0.00 H new ATOM 0 HA GLN A 202 -5.497 -9.844 -32.372 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -8.409 -9.378 -31.632 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -7.769 -11.005 -31.756 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -6.576 -8.833 -29.971 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -7.723 -10.037 -29.415 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -4.520 -9.346 -29.270 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -3.848 -10.980 -29.246 1.00 0.00 H new ATOM 541 N HIS A 203 -7.710 -9.443 -34.784 1.00 0.00 N ATOM 542 CA HIS A 203 -8.053 -9.930 -36.121 1.00 0.00 C ATOM 543 C HIS A 203 -6.825 -9.923 -37.048 1.00 0.00 C ATOM 544 O HIS A 203 -6.440 -10.969 -37.567 1.00 0.00 O ATOM 545 CB HIS A 203 -9.206 -9.112 -36.724 1.00 0.00 C ATOM 546 CG HIS A 203 -9.602 -9.637 -38.084 1.00 0.00 C ATOM 547 ND1 HIS A 203 -10.460 -10.687 -38.336 1.00 0.00 N ATOM 548 CD2 HIS A 203 -9.078 -9.250 -39.292 1.00 0.00 C ATOM 549 CE1 HIS A 203 -10.429 -10.943 -39.657 1.00 0.00 C ATOM 550 NE2 HIS A 203 -9.588 -10.100 -40.279 1.00 0.00 N ATOM 0 H HIS A 203 -8.180 -8.578 -34.518 1.00 0.00 H new ATOM 0 HA HIS A 203 -8.388 -10.963 -36.024 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -10.066 -9.145 -36.055 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -8.908 -8.067 -36.808 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -11.020 -11.183 -37.643 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -8.392 -8.432 -39.453 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -11.000 -11.717 -40.148 1.00 0.00 H new ATOM 558 N TYR A 204 -6.186 -8.760 -37.230 1.00 0.00 N ATOM 559 CA TYR A 204 -5.032 -8.581 -38.124 1.00 0.00 C ATOM 560 C TYR A 204 -3.788 -9.437 -37.799 1.00 0.00 C ATOM 561 O TYR A 204 -2.926 -9.611 -38.664 1.00 0.00 O ATOM 562 CB TYR A 204 -4.658 -7.090 -38.174 1.00 0.00 C ATOM 563 CG TYR A 204 -5.781 -6.150 -38.592 1.00 0.00 C ATOM 564 CD1 TYR A 204 -6.514 -6.397 -39.771 1.00 0.00 C ATOM 565 CD2 TYR A 204 -6.088 -5.019 -37.807 1.00 0.00 C ATOM 566 CE1 TYR A 204 -7.558 -5.533 -40.154 1.00 0.00 C ATOM 567 CE2 TYR A 204 -7.126 -4.148 -38.191 1.00 0.00 C ATOM 568 CZ TYR A 204 -7.864 -4.399 -39.368 1.00 0.00 C ATOM 569 OH TYR A 204 -8.846 -3.534 -39.742 1.00 0.00 O ATOM 0 H TYR A 204 -6.460 -7.902 -36.752 1.00 0.00 H new ATOM 0 HA TYR A 204 -5.359 -8.945 -39.098 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -4.302 -6.789 -37.189 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -3.825 -6.964 -38.866 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -6.273 -7.253 -40.384 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -5.525 -4.820 -36.907 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -8.126 -5.737 -41.050 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -7.358 -3.286 -37.583 1.00 0.00 H new ATOM 0 HH TYR A 204 -9.161 -3.765 -40.641 1.00 0.00 H new ATOM 579 N VAL A 205 -3.683 -9.982 -36.579 1.00 0.00 N ATOM 580 CA VAL A 205 -2.553 -10.824 -36.129 1.00 0.00 C ATOM 581 C VAL A 205 -2.928 -12.306 -35.938 1.00 0.00 C ATOM 582 O VAL A 205 -2.049 -13.151 -35.761 1.00 0.00 O ATOM 583 CB VAL A 205 -1.901 -10.195 -34.876 1.00 0.00 C ATOM 584 CG1 VAL A 205 -2.666 -10.494 -33.582 1.00 0.00 C ATOM 585 CG2 VAL A 205 -0.435 -10.604 -34.699 1.00 0.00 C ATOM 0 H VAL A 205 -4.393 -9.850 -35.859 1.00 0.00 H new ATOM 0 HA VAL A 205 -1.811 -10.842 -36.927 1.00 0.00 H new ATOM 0 HB VAL A 205 -1.945 -9.122 -35.061 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -2.156 -10.024 -32.741 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -3.679 -10.099 -33.659 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -2.708 -11.572 -33.425 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -0.031 -10.132 -33.803 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -0.369 -11.687 -34.599 1.00 0.00 H new ATOM 0 HG23 VAL A 205 0.140 -10.284 -35.568 1.00 0.00 H new ATOM 595 N GLY A 206 -4.220 -12.649 -35.997 1.00 0.00 N ATOM 596 CA GLY A 206 -4.716 -14.019 -35.834 1.00 0.00 C ATOM 597 C GLY A 206 -4.547 -14.885 -37.088 1.00 0.00 C ATOM 598 O GLY A 206 -4.571 -14.389 -38.218 1.00 0.00 O ATOM 0 H GLY A 206 -4.963 -11.970 -36.162 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -4.191 -14.490 -35.003 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -5.772 -13.985 -35.565 1.00 0.00 H new ATOM 602 N LYS A 207 -4.400 -16.204 -36.895 1.00 0.00 N ATOM 603 CA LYS A 207 -4.215 -17.194 -37.976 1.00 0.00 C ATOM 604 C LYS A 207 -5.305 -17.121 -39.051 1.00 0.00 C ATOM 605 O LYS A 207 -4.991 -17.214 -40.237 1.00 0.00 O ATOM 606 CB LYS A 207 -4.116 -18.599 -37.348 1.00 0.00 C ATOM 607 CG LYS A 207 -3.865 -19.775 -38.313 1.00 0.00 C ATOM 608 CD LYS A 207 -2.496 -19.778 -39.017 1.00 0.00 C ATOM 609 CE LYS A 207 -2.489 -18.984 -40.329 1.00 0.00 C ATOM 610 NZ LYS A 207 -1.175 -19.071 -41.000 1.00 0.00 N ATOM 0 H LYS A 207 -4.406 -16.625 -35.966 1.00 0.00 H new ATOM 0 HA LYS A 207 -3.288 -16.962 -38.501 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -3.312 -18.586 -36.612 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -5.041 -18.795 -36.807 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -3.969 -20.707 -37.757 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -4.645 -19.769 -39.074 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -1.748 -19.361 -38.343 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -2.202 -20.808 -39.221 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -3.265 -19.366 -40.992 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -2.728 -17.940 -40.127 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -1.200 -18.525 -41.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -0.440 -18.684 -40.375 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -0.959 -20.066 -41.214 1.00 0.00 H new ATOM 624 N LYS A 208 -6.569 -16.915 -38.658 1.00 0.00 N ATOM 625 CA LYS A 208 -7.716 -16.809 -39.581 1.00 0.00 C ATOM 626 C LYS A 208 -7.544 -15.707 -40.632 1.00 0.00 C ATOM 627 O LYS A 208 -7.826 -15.960 -41.800 1.00 0.00 O ATOM 628 CB LYS A 208 -9.032 -16.641 -38.801 1.00 0.00 C ATOM 629 CG LYS A 208 -9.400 -17.924 -38.038 1.00 0.00 C ATOM 630 CD LYS A 208 -10.783 -17.811 -37.384 1.00 0.00 C ATOM 631 CE LYS A 208 -11.138 -19.124 -36.679 1.00 0.00 C ATOM 632 NZ LYS A 208 -12.487 -19.061 -36.076 1.00 0.00 N ATOM 0 H LYS A 208 -6.831 -16.815 -37.677 1.00 0.00 H new ATOM 0 HA LYS A 208 -7.758 -17.747 -40.134 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -8.937 -15.813 -38.099 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -9.835 -16.383 -39.491 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -9.388 -18.772 -38.723 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -8.649 -18.122 -37.273 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -10.789 -16.990 -36.667 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -11.534 -17.580 -38.140 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -11.094 -19.946 -37.393 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -10.400 -19.335 -35.905 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -12.700 -19.964 -35.606 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -12.520 -18.291 -35.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -13.192 -18.884 -36.820 1.00 0.00 H new ATOM 646 N HIS A 209 -7.030 -14.529 -40.260 1.00 0.00 N ATOM 647 CA HIS A 209 -6.766 -13.438 -41.215 1.00 0.00 C ATOM 648 C HIS A 209 -5.705 -13.842 -42.241 1.00 0.00 C ATOM 649 O HIS A 209 -5.918 -13.709 -43.444 1.00 0.00 O ATOM 650 CB HIS A 209 -6.339 -12.165 -40.471 1.00 0.00 C ATOM 651 CG HIS A 209 -5.913 -11.042 -41.394 1.00 0.00 C ATOM 652 ND1 HIS A 209 -6.772 -10.182 -42.087 1.00 0.00 N ATOM 653 CD2 HIS A 209 -4.622 -10.738 -41.730 1.00 0.00 C ATOM 654 CE1 HIS A 209 -5.982 -9.391 -42.830 1.00 0.00 C ATOM 655 NE2 HIS A 209 -4.687 -9.701 -42.636 1.00 0.00 N ATOM 0 H HIS A 209 -6.786 -14.302 -39.296 1.00 0.00 H new ATOM 0 HA HIS A 209 -7.691 -13.234 -41.754 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -7.167 -11.821 -39.851 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -5.515 -12.405 -39.799 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -3.728 -11.216 -41.358 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -6.336 -8.614 -43.491 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -3.890 -9.247 -43.083 1.00 0.00 H new ATOM 663 N ARG A 210 -4.570 -14.392 -41.785 1.00 0.00 N ATOM 664 CA ARG A 210 -3.480 -14.846 -42.670 1.00 0.00 C ATOM 665 C ARG A 210 -3.942 -15.978 -43.600 1.00 0.00 C ATOM 666 O ARG A 210 -3.605 -15.979 -44.786 1.00 0.00 O ATOM 667 CB ARG A 210 -2.228 -15.221 -41.851 1.00 0.00 C ATOM 668 CG ARG A 210 -1.484 -14.000 -41.268 1.00 0.00 C ATOM 669 CD ARG A 210 -2.053 -13.477 -39.936 1.00 0.00 C ATOM 670 NE ARG A 210 -1.453 -12.192 -39.530 1.00 0.00 N ATOM 671 CZ ARG A 210 -0.241 -11.983 -39.043 1.00 0.00 C ATOM 672 NH1 ARG A 210 0.627 -12.940 -38.841 1.00 0.00 N ATOM 673 NH2 ARG A 210 0.126 -10.768 -38.743 1.00 0.00 N ATOM 0 H ARG A 210 -4.379 -14.536 -40.793 1.00 0.00 H new ATOM 0 HA ARG A 210 -3.199 -14.016 -43.318 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -2.522 -15.881 -41.035 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -1.544 -15.784 -42.486 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -0.437 -14.265 -41.121 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -1.509 -13.193 -42.000 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -3.132 -13.357 -40.028 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -1.880 -14.218 -39.155 1.00 0.00 H new ATOM 0 HE ARG A 210 -2.043 -11.367 -39.638 1.00 0.00 H new ATOM 0 HH11 ARG A 210 0.382 -13.905 -39.062 1.00 0.00 H new ATOM 0 HH12 ARG A 210 1.549 -12.721 -38.463 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -0.519 -9.991 -38.885 1.00 0.00 H new ATOM 0 HH22 ARG A 210 1.058 -10.595 -38.367 1.00 0.00 H new ATOM 687 N LYS A 211 -4.763 -16.905 -43.093 1.00 0.00 N ATOM 688 CA LYS A 211 -5.373 -18.002 -43.865 1.00 0.00 C ATOM 689 C LYS A 211 -6.323 -17.460 -44.938 1.00 0.00 C ATOM 690 O LYS A 211 -6.171 -17.802 -46.109 1.00 0.00 O ATOM 691 CB LYS A 211 -6.057 -18.974 -42.882 1.00 0.00 C ATOM 692 CG LYS A 211 -6.725 -20.202 -43.530 1.00 0.00 C ATOM 693 CD LYS A 211 -8.204 -19.977 -43.885 1.00 0.00 C ATOM 694 CE LYS A 211 -8.824 -21.267 -44.426 1.00 0.00 C ATOM 695 NZ LYS A 211 -10.260 -21.077 -44.722 1.00 0.00 N ATOM 0 H LYS A 211 -5.031 -16.916 -42.109 1.00 0.00 H new ATOM 0 HA LYS A 211 -4.607 -18.554 -44.409 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -5.314 -19.321 -42.164 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -6.812 -18.425 -42.319 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -6.178 -20.468 -44.435 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -6.647 -21.050 -42.849 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -8.750 -19.646 -43.002 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -8.290 -19.185 -44.629 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -8.300 -21.576 -45.330 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -8.701 -22.068 -43.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -10.527 -21.665 -45.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -10.825 -21.356 -43.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -10.440 -20.077 -44.942 1.00 0.00 H new ATOM 709 N GLN A 212 -7.272 -16.597 -44.570 1.00 0.00 N ATOM 710 CA GLN A 212 -8.225 -15.994 -45.513 1.00 0.00 C ATOM 711 C GLN A 212 -7.530 -15.095 -46.546 1.00 0.00 C ATOM 712 O GLN A 212 -7.895 -15.130 -47.719 1.00 0.00 O ATOM 713 CB GLN A 212 -9.319 -15.233 -44.751 1.00 0.00 C ATOM 714 CG GLN A 212 -10.301 -16.162 -44.017 1.00 0.00 C ATOM 715 CD GLN A 212 -11.167 -16.976 -44.976 1.00 0.00 C ATOM 716 OE1 GLN A 212 -10.834 -18.086 -45.371 1.00 0.00 O ATOM 717 NE2 GLN A 212 -12.306 -16.465 -45.395 1.00 0.00 N ATOM 0 H GLN A 212 -7.404 -16.293 -43.605 1.00 0.00 H new ATOM 0 HA GLN A 212 -8.693 -16.803 -46.074 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -8.852 -14.564 -44.028 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -9.874 -14.608 -45.451 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -9.741 -16.841 -43.373 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -10.944 -15.566 -43.369 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -12.599 -15.541 -45.076 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -12.896 -16.993 -46.039 1.00 0.00 H new ATOM 726 N GLU A 213 -6.494 -14.346 -46.158 1.00 0.00 N ATOM 727 CA GLU A 213 -5.674 -13.541 -47.073 1.00 0.00 C ATOM 728 C GLU A 213 -5.012 -14.445 -48.129 1.00 0.00 C ATOM 729 O GLU A 213 -5.054 -14.143 -49.322 1.00 0.00 O ATOM 730 CB GLU A 213 -4.636 -12.761 -46.247 1.00 0.00 C ATOM 731 CG GLU A 213 -3.671 -11.914 -47.084 1.00 0.00 C ATOM 732 CD GLU A 213 -2.725 -11.122 -46.171 1.00 0.00 C ATOM 733 OE1 GLU A 213 -3.143 -10.052 -45.665 1.00 0.00 O ATOM 734 OE2 GLU A 213 -1.577 -11.587 -45.969 1.00 0.00 O ATOM 0 H GLU A 213 -6.195 -14.280 -45.185 1.00 0.00 H new ATOM 0 HA GLU A 213 -6.296 -12.826 -47.612 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -5.160 -12.109 -45.548 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -4.058 -13.467 -45.651 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -3.093 -12.558 -47.747 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -4.234 -11.228 -47.717 1.00 0.00 H new ATOM 741 N THR A 214 -4.459 -15.591 -47.707 1.00 0.00 N ATOM 742 CA THR A 214 -3.862 -16.591 -48.610 1.00 0.00 C ATOM 743 C THR A 214 -4.922 -17.188 -49.544 1.00 0.00 C ATOM 744 O THR A 214 -4.697 -17.271 -50.753 1.00 0.00 O ATOM 745 CB THR A 214 -3.151 -17.706 -47.819 1.00 0.00 C ATOM 746 OG1 THR A 214 -2.158 -17.156 -46.977 1.00 0.00 O ATOM 747 CG2 THR A 214 -2.433 -18.706 -48.729 1.00 0.00 C ATOM 0 H THR A 214 -4.412 -15.854 -46.723 1.00 0.00 H new ATOM 0 HA THR A 214 -3.115 -16.080 -49.218 1.00 0.00 H new ATOM 0 HB THR A 214 -3.934 -18.213 -47.255 1.00 0.00 H new ATOM 0 HG1 THR A 214 -2.584 -16.733 -46.202 1.00 0.00 H new ATOM 0 HG21 THR A 214 -1.949 -19.470 -48.120 1.00 0.00 H new ATOM 0 HG22 THR A 214 -3.157 -19.177 -49.394 1.00 0.00 H new ATOM 0 HG23 THR A 214 -1.681 -18.184 -49.321 1.00 0.00 H new ATOM 755 N LYS A 215 -6.102 -17.558 -49.021 1.00 0.00 N ATOM 756 CA LYS A 215 -7.224 -18.084 -49.823 1.00 0.00 C ATOM 757 C LYS A 215 -7.719 -17.063 -50.852 1.00 0.00 C ATOM 758 O LYS A 215 -7.954 -17.434 -52.000 1.00 0.00 O ATOM 759 CB LYS A 215 -8.375 -18.548 -48.911 1.00 0.00 C ATOM 760 CG LYS A 215 -8.084 -19.841 -48.127 1.00 0.00 C ATOM 761 CD LYS A 215 -7.987 -21.079 -49.033 1.00 0.00 C ATOM 762 CE LYS A 215 -7.831 -22.347 -48.189 1.00 0.00 C ATOM 763 NZ LYS A 215 -7.731 -23.547 -49.046 1.00 0.00 N ATOM 0 H LYS A 215 -6.308 -17.501 -48.024 1.00 0.00 H new ATOM 0 HA LYS A 215 -6.853 -18.946 -50.377 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -8.604 -17.752 -48.203 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -9.266 -18.700 -49.520 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -7.150 -19.725 -47.578 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -8.871 -19.998 -47.389 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -8.880 -21.155 -49.653 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -7.138 -20.977 -49.709 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -6.940 -22.266 -47.566 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -8.683 -22.447 -47.516 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -7.626 -24.392 -48.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -8.592 -23.635 -49.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -6.904 -23.460 -49.671 1.00 0.00 H new ATOM 777 N LEU A 216 -7.837 -15.784 -50.486 1.00 0.00 N ATOM 778 CA LEU A 216 -8.236 -14.714 -51.407 1.00 0.00 C ATOM 779 C LEU A 216 -7.167 -14.485 -52.489 1.00 0.00 C ATOM 780 O LEU A 216 -7.509 -14.340 -53.663 1.00 0.00 O ATOM 781 CB LEU A 216 -8.540 -13.435 -50.609 1.00 0.00 C ATOM 782 CG LEU A 216 -9.002 -12.245 -51.476 1.00 0.00 C ATOM 783 CD1 LEU A 216 -10.260 -12.547 -52.295 1.00 0.00 C ATOM 784 CD2 LEU A 216 -9.307 -11.051 -50.576 1.00 0.00 C ATOM 0 H LEU A 216 -7.657 -15.459 -49.536 1.00 0.00 H new ATOM 0 HA LEU A 216 -9.145 -15.011 -51.931 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -9.312 -13.655 -49.872 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -7.646 -13.143 -50.057 1.00 0.00 H new ATOM 0 HG LEU A 216 -8.189 -12.036 -52.171 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -10.531 -11.670 -52.882 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -10.066 -13.385 -52.964 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -11.079 -12.801 -51.623 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -9.634 -10.209 -51.187 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -10.096 -11.317 -49.873 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -8.409 -10.772 -50.024 1.00 0.00 H new ATOM 796 N LYS A 217 -5.875 -14.506 -52.127 1.00 0.00 N ATOM 797 CA LYS A 217 -4.763 -14.387 -53.088 1.00 0.00 C ATOM 798 C LYS A 217 -4.807 -15.531 -54.110 1.00 0.00 C ATOM 799 O LYS A 217 -4.699 -15.286 -55.310 1.00 0.00 O ATOM 800 CB LYS A 217 -3.429 -14.321 -52.324 1.00 0.00 C ATOM 801 CG LYS A 217 -2.255 -13.958 -53.243 1.00 0.00 C ATOM 802 CD LYS A 217 -0.955 -13.818 -52.436 1.00 0.00 C ATOM 803 CE LYS A 217 0.239 -13.442 -53.323 1.00 0.00 C ATOM 804 NZ LYS A 217 0.112 -12.073 -53.870 1.00 0.00 N ATOM 0 H LYS A 217 -5.570 -14.606 -51.159 1.00 0.00 H new ATOM 0 HA LYS A 217 -4.862 -13.463 -53.657 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -3.505 -13.583 -51.525 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -3.235 -15.284 -51.851 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -2.134 -14.726 -54.007 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -2.469 -13.024 -53.762 1.00 0.00 H new ATOM 0 HD2 LYS A 217 -1.087 -13.058 -51.666 1.00 0.00 H new ATOM 0 HD3 LYS A 217 -0.744 -14.757 -51.924 1.00 0.00 H new ATOM 0 HE2 LYS A 217 1.159 -13.517 -52.744 1.00 0.00 H new ATOM 0 HE3 LYS A 217 0.320 -14.155 -54.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 0.976 -11.827 -54.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 -0.705 -12.030 -54.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 -0.024 -11.399 -53.090 1.00 0.00 H new ATOM 818 N LEU A 218 -5.038 -16.764 -53.649 1.00 0.00 N ATOM 819 CA LEU A 218 -5.213 -17.954 -54.492 1.00 0.00 C ATOM 820 C LEU A 218 -6.446 -17.801 -55.403 1.00 0.00 C ATOM 821 O LEU A 218 -6.360 -18.037 -56.609 1.00 0.00 O ATOM 822 CB LEU A 218 -5.275 -19.183 -53.560 1.00 0.00 C ATOM 823 CG LEU A 218 -5.323 -20.559 -54.255 1.00 0.00 C ATOM 824 CD1 LEU A 218 -4.825 -21.634 -53.285 1.00 0.00 C ATOM 825 CD2 LEU A 218 -6.733 -20.975 -54.686 1.00 0.00 C ATOM 0 H LEU A 218 -5.111 -16.969 -52.652 1.00 0.00 H new ATOM 0 HA LEU A 218 -4.373 -18.086 -55.175 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -4.405 -19.160 -52.904 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -6.156 -19.088 -52.925 1.00 0.00 H new ATOM 0 HG LEU A 218 -4.699 -20.469 -55.144 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -4.858 -22.608 -53.773 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -3.800 -21.411 -52.989 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -5.462 -21.650 -52.401 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -6.693 -21.952 -55.168 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -7.380 -21.028 -53.811 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -7.131 -20.241 -55.387 1.00 0.00 H new ATOM 837 N MET A 219 -7.581 -17.362 -54.849 1.00 0.00 N ATOM 838 CA MET A 219 -8.823 -17.113 -55.594 1.00 0.00 C ATOM 839 C MET A 219 -8.612 -16.087 -56.721 1.00 0.00 C ATOM 840 O MET A 219 -9.114 -16.283 -57.826 1.00 0.00 O ATOM 841 CB MET A 219 -9.921 -16.668 -54.614 1.00 0.00 C ATOM 842 CG MET A 219 -11.304 -16.569 -55.267 1.00 0.00 C ATOM 843 SD MET A 219 -12.615 -15.934 -54.180 1.00 0.00 S ATOM 844 CE MET A 219 -12.718 -17.260 -52.944 1.00 0.00 C ATOM 0 H MET A 219 -7.665 -17.166 -53.852 1.00 0.00 H new ATOM 0 HA MET A 219 -9.138 -18.037 -56.078 1.00 0.00 H new ATOM 0 HB2 MET A 219 -9.967 -17.373 -53.784 1.00 0.00 H new ATOM 0 HB3 MET A 219 -9.654 -15.698 -54.194 1.00 0.00 H new ATOM 0 HG2 MET A 219 -11.232 -15.923 -56.142 1.00 0.00 H new ATOM 0 HG3 MET A 219 -11.594 -17.557 -55.624 1.00 0.00 H new ATOM 0 HE1 MET A 219 -13.574 -17.084 -52.292 1.00 0.00 H new ATOM 0 HE2 MET A 219 -12.837 -18.219 -53.448 1.00 0.00 H new ATOM 0 HE3 MET A 219 -11.805 -17.274 -52.349 1.00 0.00 H new ATOM 854 N ALA A 220 -7.841 -15.022 -56.473 1.00 0.00 N ATOM 855 CA ALA A 220 -7.498 -14.013 -57.477 1.00 0.00 C ATOM 856 C ALA A 220 -6.528 -14.573 -58.541 1.00 0.00 C ATOM 857 O ALA A 220 -6.755 -14.392 -59.741 1.00 0.00 O ATOM 858 CB ALA A 220 -6.908 -12.793 -56.758 1.00 0.00 C ATOM 0 H ALA A 220 -7.433 -14.836 -55.557 1.00 0.00 H new ATOM 0 HA ALA A 220 -8.398 -13.716 -58.016 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -6.646 -12.030 -57.491 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -7.644 -12.390 -56.062 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -6.014 -13.091 -56.210 1.00 0.00 H new ATOM 864 N ARG A 221 -5.476 -15.293 -58.115 1.00 0.00 N ATOM 865 CA ARG A 221 -4.457 -15.937 -58.974 1.00 0.00 C ATOM 866 C ARG A 221 -5.059 -16.867 -60.035 1.00 0.00 C ATOM 867 O ARG A 221 -4.549 -16.925 -61.155 1.00 0.00 O ATOM 868 CB ARG A 221 -3.459 -16.686 -58.069 1.00 0.00 C ATOM 869 CG ARG A 221 -2.313 -17.372 -58.827 1.00 0.00 C ATOM 870 CD ARG A 221 -1.371 -18.072 -57.843 1.00 0.00 C ATOM 871 NE ARG A 221 -0.275 -18.761 -58.548 1.00 0.00 N ATOM 872 CZ ARG A 221 0.607 -19.583 -58.003 1.00 0.00 C ATOM 873 NH1 ARG A 221 0.607 -19.876 -56.727 1.00 0.00 N ATOM 874 NH2 ARG A 221 1.533 -20.136 -58.739 1.00 0.00 N ATOM 0 H ARG A 221 -5.302 -15.451 -57.122 1.00 0.00 H new ATOM 0 HA ARG A 221 -3.943 -15.158 -59.538 1.00 0.00 H new ATOM 0 HB2 ARG A 221 -3.036 -15.981 -57.353 1.00 0.00 H new ATOM 0 HB3 ARG A 221 -4.000 -17.437 -57.494 1.00 0.00 H new ATOM 0 HG2 ARG A 221 -2.717 -18.097 -59.533 1.00 0.00 H new ATOM 0 HG3 ARG A 221 -1.760 -16.635 -59.409 1.00 0.00 H new ATOM 0 HD2 ARG A 221 -0.957 -17.340 -57.150 1.00 0.00 H new ATOM 0 HD3 ARG A 221 -1.933 -18.792 -57.248 1.00 0.00 H new ATOM 0 HE ARG A 221 -0.188 -18.588 -59.549 1.00 0.00 H new ATOM 0 HH11 ARG A 221 -0.093 -19.465 -56.109 1.00 0.00 H new ATOM 0 HH12 ARG A 221 1.307 -20.515 -56.351 1.00 0.00 H new ATOM 0 HH21 ARG A 221 1.578 -19.935 -59.738 1.00 0.00 H new ATOM 0 HH22 ARG A 221 2.211 -20.769 -58.315 1.00 0.00 H new ATOM 888 N TYR A 222 -6.143 -17.565 -59.693 1.00 0.00 N ATOM 889 CA TYR A 222 -6.856 -18.506 -60.569 1.00 0.00 C ATOM 890 C TYR A 222 -8.264 -18.020 -60.978 1.00 0.00 C ATOM 891 O TYR A 222 -9.052 -18.784 -61.540 1.00 0.00 O ATOM 892 CB TYR A 222 -6.862 -19.892 -59.902 1.00 0.00 C ATOM 893 CG TYR A 222 -5.473 -20.456 -59.640 1.00 0.00 C ATOM 894 CD1 TYR A 222 -4.640 -20.802 -60.723 1.00 0.00 C ATOM 895 CD2 TYR A 222 -5.010 -20.629 -58.320 1.00 0.00 C ATOM 896 CE1 TYR A 222 -3.351 -21.320 -60.488 1.00 0.00 C ATOM 897 CE2 TYR A 222 -3.724 -21.151 -58.081 1.00 0.00 C ATOM 898 CZ TYR A 222 -2.890 -21.500 -59.167 1.00 0.00 C ATOM 899 OH TYR A 222 -1.652 -22.021 -58.948 1.00 0.00 O ATOM 0 H TYR A 222 -6.566 -17.491 -58.768 1.00 0.00 H new ATOM 0 HA TYR A 222 -6.322 -18.573 -61.517 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -7.401 -19.827 -58.957 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -7.412 -20.587 -60.536 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -4.991 -20.670 -61.736 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -5.644 -20.360 -57.488 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -2.715 -21.580 -61.321 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -3.375 -21.285 -57.068 1.00 0.00 H new ATOM 0 HH TYR A 222 -1.487 -22.079 -57.984 1.00 0.00 H new ATOM 909 N GLY A 223 -8.584 -16.742 -60.731 1.00 0.00 N ATOM 910 CA GLY A 223 -9.867 -16.112 -61.084 1.00 0.00 C ATOM 911 C GLY A 223 -9.985 -15.722 -62.567 1.00 0.00 C ATOM 912 O GLY A 223 -11.074 -15.377 -63.036 1.00 0.00 O ATOM 0 H GLY A 223 -7.941 -16.100 -60.268 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -10.677 -16.797 -60.833 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -10.003 -15.220 -60.472 1.00 0.00 H new ATOM 916 N ARG A 224 -8.872 -15.799 -63.308 1.00 0.00 N ATOM 917 CA ARG A 224 -8.725 -15.525 -64.748 1.00 0.00 C ATOM 918 C ARG A 224 -7.636 -16.422 -65.354 1.00 0.00 C ATOM 919 O ARG A 224 -6.804 -16.961 -64.621 1.00 0.00 O ATOM 920 CB ARG A 224 -8.432 -14.025 -64.970 1.00 0.00 C ATOM 921 CG ARG A 224 -7.111 -13.538 -64.342 1.00 0.00 C ATOM 922 CD ARG A 224 -6.867 -12.044 -64.589 1.00 0.00 C ATOM 923 NE ARG A 224 -7.828 -11.195 -63.860 1.00 0.00 N ATOM 924 CZ ARG A 224 -7.863 -9.872 -63.872 1.00 0.00 C ATOM 925 NH1 ARG A 224 -7.017 -9.149 -64.560 1.00 0.00 N ATOM 926 NH2 ARG A 224 -8.764 -9.232 -63.177 1.00 0.00 N ATOM 0 H ARG A 224 -7.984 -16.074 -62.888 1.00 0.00 H new ATOM 0 HA ARG A 224 -9.658 -15.760 -65.261 1.00 0.00 H new ATOM 0 HB2 ARG A 224 -8.407 -13.826 -66.041 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -9.254 -13.441 -64.557 1.00 0.00 H new ATOM 0 HG2 ARG A 224 -7.129 -13.729 -63.269 1.00 0.00 H new ATOM 0 HG3 ARG A 224 -6.281 -14.113 -64.754 1.00 0.00 H new ATOM 0 HD2 ARG A 224 -5.853 -11.788 -64.283 1.00 0.00 H new ATOM 0 HD3 ARG A 224 -6.939 -11.837 -65.657 1.00 0.00 H new ATOM 0 HE ARG A 224 -8.530 -11.672 -63.294 1.00 0.00 H new ATOM 0 HH11 ARG A 224 -6.293 -9.603 -65.117 1.00 0.00 H new ATOM 0 HH12 ARG A 224 -7.082 -8.131 -64.540 1.00 0.00 H new ATOM 0 HH21 ARG A 224 -9.444 -9.752 -62.622 1.00 0.00 H new ATOM 0 HH22 ARG A 224 -8.788 -8.212 -63.189 1.00 0.00 H new ATOM 940 N LEU A 225 -7.637 -16.574 -66.681 1.00 0.00 N ATOM 941 CA LEU A 225 -6.663 -17.408 -67.412 1.00 0.00 C ATOM 942 C LEU A 225 -6.394 -16.898 -68.845 1.00 0.00 C ATOM 943 O LEU A 225 -5.241 -16.849 -69.276 1.00 0.00 O ATOM 944 CB LEU A 225 -7.186 -18.868 -67.417 1.00 0.00 C ATOM 945 CG LEU A 225 -6.141 -19.998 -67.302 1.00 0.00 C ATOM 946 CD1 LEU A 225 -5.089 -19.981 -68.409 1.00 0.00 C ATOM 947 CD2 LEU A 225 -5.428 -19.991 -65.947 1.00 0.00 C ATOM 0 H LEU A 225 -8.318 -16.120 -67.289 1.00 0.00 H new ATOM 0 HA LEU A 225 -5.701 -17.354 -66.903 1.00 0.00 H new ATOM 0 HB2 LEU A 225 -7.891 -18.976 -66.593 1.00 0.00 H new ATOM 0 HB3 LEU A 225 -7.748 -19.021 -68.339 1.00 0.00 H new ATOM 0 HG LEU A 225 -6.725 -20.912 -67.407 1.00 0.00 H new ATOM 0 HD11 LEU A 225 -4.391 -20.804 -68.260 1.00 0.00 H new ATOM 0 HD12 LEU A 225 -5.578 -20.091 -69.377 1.00 0.00 H new ATOM 0 HD13 LEU A 225 -4.547 -19.036 -68.381 1.00 0.00 H new ATOM 0 HD21 LEU A 225 -4.702 -20.804 -65.913 1.00 0.00 H new ATOM 0 HD22 LEU A 225 -4.914 -19.040 -65.811 1.00 0.00 H new ATOM 0 HD23 LEU A 225 -6.160 -20.125 -65.150 1.00 0.00 H new ATOM 959 N ALA A 226 -7.445 -16.501 -69.573 1.00 0.00 N ATOM 960 CA ALA A 226 -7.377 -16.020 -70.962 1.00 0.00 C ATOM 961 C ALA A 226 -8.246 -14.763 -71.222 1.00 0.00 C ATOM 962 O ALA A 226 -8.645 -14.491 -72.357 1.00 0.00 O ATOM 963 CB ALA A 226 -7.746 -17.200 -71.875 1.00 0.00 C ATOM 0 H ALA A 226 -8.395 -16.505 -69.202 1.00 0.00 H new ATOM 0 HA ALA A 226 -6.364 -15.681 -71.180 1.00 0.00 H new ATOM 0 HB1 ALA A 226 -7.706 -16.881 -72.916 1.00 0.00 H new ATOM 0 HB2 ALA A 226 -7.040 -18.016 -71.719 1.00 0.00 H new ATOM 0 HB3 ALA A 226 -8.754 -17.542 -71.638 1.00 0.00 H new ATOM 969 N ASP A 227 -8.552 -13.990 -70.174 1.00 0.00 N ATOM 970 CA ASP A 227 -9.374 -12.768 -70.214 1.00 0.00 C ATOM 971 C ASP A 227 -8.851 -11.700 -69.238 1.00 0.00 C ATOM 972 O ASP A 227 -8.356 -12.012 -68.144 1.00 0.00 O ATOM 973 CB ASP A 227 -10.837 -13.106 -69.877 1.00 0.00 C ATOM 974 CG ASP A 227 -11.514 -13.964 -70.952 1.00 0.00 C ATOM 975 OD1 ASP A 227 -11.957 -13.381 -71.972 1.00 0.00 O ATOM 976 OD2 ASP A 227 -11.609 -15.199 -70.749 1.00 0.00 O ATOM 0 H ASP A 227 -8.221 -14.205 -69.233 1.00 0.00 H new ATOM 0 HA ASP A 227 -9.313 -12.361 -71.223 1.00 0.00 H new ATOM 0 HB2 ASP A 227 -10.873 -13.633 -68.923 1.00 0.00 H new ATOM 0 HB3 ASP A 227 -11.399 -12.180 -69.751 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -8.824 -9.954 -42.192 1.00 0.00 ZN