USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=14 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 212 GLN : amide:sc= 0.259 K(o=0.53,f=-0.61) USER MOD Set 1.2: A 215 LYS NZ :NH3+ 173:sc= 0.274 (180deg=0) USER MOD Single : A 168 SER OG : rot -42:sc= 0.0217 USER MOD Single : A 169 THR OG1 : rot 180:sc= 0 USER MOD Single : A 170 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00619) USER MOD Single : A 175 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 176 GLN : amide:sc= -0.551 K(o=-0.55,f=-1.2) USER MOD Single : A 177 ASN : amide:sc= 0.747 K(o=0.75,f=-4.8!) 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= -0.054 X(o=-0.054,f=-0.054) USER MOD Single : A 199 MET CE :methyl -176:sc= 0 (180deg=-0.025) USER MOD Single : A 201 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 202 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.42) USER MOD Single : A 204 TYR OH : rot -12:sc= 0.623 USER MOD Single : A 207 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0819) USER MOD Single : A 208 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0591) USER MOD Single : A 211 LYS NZ :NH3+ 143:sc= -0.133 (180deg=-1.54!) USER MOD Single : A 214 THR OG1 : rot 80:sc= 0.0515 USER MOD Single : A 217 LYS NZ :NH3+ -171:sc=-0.00578 (180deg=-0.103) USER MOD Single : A 219 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 222 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 168 9.521 2.106 -12.364 1.00 0.00 N ATOM 2 CA SER A 168 10.081 0.748 -12.298 1.00 0.00 C ATOM 3 C SER A 168 9.429 -0.128 -11.208 1.00 0.00 C ATOM 4 O SER A 168 9.629 -1.346 -11.167 1.00 0.00 O ATOM 5 CB SER A 168 11.601 0.852 -12.092 1.00 0.00 C ATOM 6 OG SER A 168 12.259 -0.361 -12.428 1.00 0.00 O ATOM 0 HA SER A 168 9.862 0.246 -13.240 1.00 0.00 H new ATOM 0 HB2 SER A 168 11.997 1.663 -12.704 1.00 0.00 H new ATOM 0 HB3 SER A 168 11.811 1.105 -11.053 1.00 0.00 H new ATOM 0 HG SER A 168 11.745 -1.119 -12.080 1.00 0.00 H new ATOM 12 N THR A 169 8.617 0.474 -10.331 1.00 0.00 N ATOM 13 CA THR A 169 7.890 -0.196 -9.236 1.00 0.00 C ATOM 14 C THR A 169 6.581 0.532 -8.887 1.00 0.00 C ATOM 15 O THR A 169 6.436 1.732 -9.147 1.00 0.00 O ATOM 16 CB THR A 169 8.800 -0.343 -8.000 1.00 0.00 C ATOM 17 OG1 THR A 169 8.175 -1.166 -7.037 1.00 0.00 O ATOM 18 CG2 THR A 169 9.171 0.980 -7.324 1.00 0.00 C ATOM 0 H THR A 169 8.439 1.478 -10.362 1.00 0.00 H new ATOM 0 HA THR A 169 7.612 -1.193 -9.579 1.00 0.00 H new ATOM 0 HB THR A 169 9.724 -0.783 -8.376 1.00 0.00 H new ATOM 0 HG1 THR A 169 8.759 -1.257 -6.255 1.00 0.00 H new ATOM 0 HG21 THR A 169 9.812 0.782 -6.465 1.00 0.00 H new ATOM 0 HG22 THR A 169 9.701 1.615 -8.034 1.00 0.00 H new ATOM 0 HG23 THR A 169 8.264 1.485 -6.991 1.00 0.00 H new ATOM 26 N LYS A 170 5.623 -0.195 -8.295 1.00 0.00 N ATOM 27 CA LYS A 170 4.294 0.282 -7.864 1.00 0.00 C ATOM 28 C LYS A 170 3.692 -0.627 -6.782 1.00 0.00 C ATOM 29 O LYS A 170 4.112 -1.776 -6.625 1.00 0.00 O ATOM 30 CB LYS A 170 3.352 0.403 -9.084 1.00 0.00 C ATOM 31 CG LYS A 170 3.116 -0.919 -9.836 1.00 0.00 C ATOM 32 CD LYS A 170 2.184 -0.706 -11.039 1.00 0.00 C ATOM 33 CE LYS A 170 2.024 -1.982 -11.875 1.00 0.00 C ATOM 34 NZ LYS A 170 1.321 -3.051 -11.132 1.00 0.00 N ATOM 0 H LYS A 170 5.758 -1.185 -8.091 1.00 0.00 H new ATOM 0 HA LYS A 170 4.413 1.270 -7.419 1.00 0.00 H new ATOM 0 HB2 LYS A 170 2.391 0.793 -8.749 1.00 0.00 H new ATOM 0 HB3 LYS A 170 3.768 1.133 -9.778 1.00 0.00 H new ATOM 0 HG2 LYS A 170 4.069 -1.324 -10.176 1.00 0.00 H new ATOM 0 HG3 LYS A 170 2.681 -1.654 -9.159 1.00 0.00 H new ATOM 0 HD2 LYS A 170 1.206 -0.379 -10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 170 2.580 0.092 -11.667 1.00 0.00 H new ATOM 0 HE2 LYS A 170 1.472 -1.751 -12.786 1.00 0.00 H new ATOM 0 HE3 LYS A 170 3.007 -2.340 -12.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 170 1.190 -3.876 -11.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 170 1.885 -3.327 -10.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 170 0.393 -2.703 -10.818 1.00 0.00 H new ATOM 48 N VAL A 171 2.698 -0.115 -6.050 1.00 0.00 N ATOM 49 CA VAL A 171 1.993 -0.817 -4.948 1.00 0.00 C ATOM 50 C VAL A 171 0.476 -0.521 -4.979 1.00 0.00 C ATOM 51 O VAL A 171 -0.198 -0.478 -3.951 1.00 0.00 O ATOM 52 CB VAL A 171 2.617 -0.486 -3.561 1.00 0.00 C ATOM 53 CG1 VAL A 171 2.376 -1.632 -2.563 1.00 0.00 C ATOM 54 CG2 VAL A 171 4.139 -0.260 -3.573 1.00 0.00 C ATOM 0 H VAL A 171 2.343 0.829 -6.205 1.00 0.00 H new ATOM 0 HA VAL A 171 2.122 -1.888 -5.105 1.00 0.00 H new ATOM 0 HB VAL A 171 2.123 0.442 -3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 171 2.821 -1.377 -1.601 1.00 0.00 H new ATOM 0 HG12 VAL A 171 1.304 -1.785 -2.437 1.00 0.00 H new ATOM 0 HG13 VAL A 171 2.831 -2.547 -2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 171 4.481 -0.036 -2.563 1.00 0.00 H new ATOM 0 HG22 VAL A 171 4.638 -1.160 -3.934 1.00 0.00 H new ATOM 0 HG23 VAL A 171 4.378 0.576 -4.231 1.00 0.00 H new ATOM 64 N GLU A 172 -0.074 -0.266 -6.173 1.00 0.00 N ATOM 65 CA GLU A 172 -1.485 0.114 -6.381 1.00 0.00 C ATOM 66 C GLU A 172 -2.301 -0.996 -7.071 1.00 0.00 C ATOM 67 O GLU A 172 -3.335 -1.404 -6.542 1.00 0.00 O ATOM 68 CB GLU A 172 -1.547 1.424 -7.193 1.00 0.00 C ATOM 69 CG GLU A 172 -1.132 2.687 -6.414 1.00 0.00 C ATOM 70 CD GLU A 172 0.340 2.712 -5.969 1.00 0.00 C ATOM 71 OE1 GLU A 172 1.228 2.423 -6.808 1.00 0.00 O ATOM 72 OE2 GLU A 172 0.590 3.008 -4.777 1.00 0.00 O ATOM 0 H GLU A 172 0.457 -0.318 -7.042 1.00 0.00 H new ATOM 0 HA GLU A 172 -1.939 0.265 -5.402 1.00 0.00 H new ATOM 0 HB2 GLU A 172 -0.902 1.325 -8.066 1.00 0.00 H new ATOM 0 HB3 GLU A 172 -2.564 1.559 -7.561 1.00 0.00 H new ATOM 0 HG2 GLU A 172 -1.324 3.561 -7.036 1.00 0.00 H new ATOM 0 HG3 GLU A 172 -1.766 2.778 -5.532 1.00 0.00 H new ATOM 79 N ALA A 173 -1.826 -1.508 -8.219 1.00 0.00 N ATOM 80 CA ALA A 173 -2.426 -2.597 -9.013 1.00 0.00 C ATOM 81 C ALA A 173 -3.973 -2.559 -9.164 1.00 0.00 C ATOM 82 O ALA A 173 -4.641 -3.597 -9.128 1.00 0.00 O ATOM 83 CB ALA A 173 -1.886 -3.929 -8.466 1.00 0.00 C ATOM 0 H ALA A 173 -0.967 -1.155 -8.642 1.00 0.00 H new ATOM 0 HA ALA A 173 -2.117 -2.462 -10.050 1.00 0.00 H new ATOM 0 HB1 ALA A 173 -2.313 -4.755 -9.034 1.00 0.00 H new ATOM 0 HB2 ALA A 173 -0.800 -3.947 -8.559 1.00 0.00 H new ATOM 0 HB3 ALA A 173 -2.162 -4.030 -7.416 1.00 0.00 H new ATOM 89 N LEU A 174 -4.557 -1.361 -9.314 1.00 0.00 N ATOM 90 CA LEU A 174 -6.012 -1.163 -9.432 1.00 0.00 C ATOM 91 C LEU A 174 -6.598 -1.688 -10.758 1.00 0.00 C ATOM 92 O LEU A 174 -7.683 -2.278 -10.761 1.00 0.00 O ATOM 93 CB LEU A 174 -6.338 0.338 -9.275 1.00 0.00 C ATOM 94 CG LEU A 174 -5.935 0.970 -7.928 1.00 0.00 C ATOM 95 CD1 LEU A 174 -6.258 2.465 -7.946 1.00 0.00 C ATOM 96 CD2 LEU A 174 -6.660 0.338 -6.738 1.00 0.00 C ATOM 0 H LEU A 174 -4.027 -0.491 -9.357 1.00 0.00 H new ATOM 0 HA LEU A 174 -6.477 -1.746 -8.637 1.00 0.00 H new ATOM 0 HB2 LEU A 174 -5.841 0.885 -10.076 1.00 0.00 H new ATOM 0 HB3 LEU A 174 -7.410 0.475 -9.414 1.00 0.00 H new ATOM 0 HG LEU A 174 -4.866 0.796 -7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 174 -5.973 2.910 -6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 174 -5.705 2.947 -8.752 1.00 0.00 H new ATOM 0 HD13 LEU A 174 -7.327 2.604 -8.106 1.00 0.00 H new ATOM 0 HD21 LEU A 174 -6.337 0.822 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 174 -7.736 0.466 -6.858 1.00 0.00 H new ATOM 0 HD23 LEU A 174 -6.424 -0.725 -6.691 1.00 0.00 H new ATOM 108 N HIS A 175 -5.873 -1.488 -11.870 1.00 0.00 N ATOM 109 CA HIS A 175 -6.245 -1.864 -13.251 1.00 0.00 C ATOM 110 C HIS A 175 -7.623 -1.327 -13.708 1.00 0.00 C ATOM 111 O HIS A 175 -8.289 -0.573 -12.996 1.00 0.00 O ATOM 112 CB HIS A 175 -6.080 -3.391 -13.424 1.00 0.00 C ATOM 113 CG HIS A 175 -4.694 -3.889 -13.093 1.00 0.00 C ATOM 114 ND1 HIS A 175 -3.540 -3.611 -13.802 1.00 0.00 N ATOM 115 CD2 HIS A 175 -4.351 -4.704 -12.049 1.00 0.00 C ATOM 116 CE1 HIS A 175 -2.514 -4.243 -13.200 1.00 0.00 C ATOM 117 NE2 HIS A 175 -2.987 -4.909 -12.129 1.00 0.00 N ATOM 0 H HIS A 175 -4.960 -1.035 -11.832 1.00 0.00 H new ATOM 0 HA HIS A 175 -5.557 -1.364 -13.932 1.00 0.00 H new ATOM 0 HB2 HIS A 175 -6.802 -3.901 -12.787 1.00 0.00 H new ATOM 0 HB3 HIS A 175 -6.318 -3.660 -14.453 1.00 0.00 H new ATOM 0 HD2 HIS A 175 -5.019 -5.110 -11.304 1.00 0.00 H new ATOM 0 HE1 HIS A 175 -1.484 -4.220 -13.522 1.00 0.00 H new ATOM 0 HE2 HIS A 175 -2.431 -5.471 -11.485 1.00 0.00 H new ATOM 126 N GLN A 176 -8.039 -1.680 -14.930 1.00 0.00 N ATOM 127 CA GLN A 176 -9.306 -1.263 -15.565 1.00 0.00 C ATOM 128 C GLN A 176 -9.951 -2.413 -16.382 1.00 0.00 C ATOM 129 O GLN A 176 -10.751 -2.175 -17.287 1.00 0.00 O ATOM 130 CB GLN A 176 -9.071 -0.015 -16.453 1.00 0.00 C ATOM 131 CG GLN A 176 -8.640 1.273 -15.721 1.00 0.00 C ATOM 132 CD GLN A 176 -7.153 1.368 -15.358 1.00 0.00 C ATOM 133 OE1 GLN A 176 -6.287 0.678 -15.884 1.00 0.00 O ATOM 134 NE2 GLN A 176 -6.792 2.230 -14.431 1.00 0.00 N ATOM 0 H GLN A 176 -7.484 -2.288 -15.532 1.00 0.00 H new ATOM 0 HA GLN A 176 -10.008 -1.005 -14.772 1.00 0.00 H new ATOM 0 HB2 GLN A 176 -8.309 -0.260 -17.192 1.00 0.00 H new ATOM 0 HB3 GLN A 176 -9.990 0.194 -17.000 1.00 0.00 H new ATOM 0 HG2 GLN A 176 -8.897 2.128 -16.347 1.00 0.00 H new ATOM 0 HG3 GLN A 176 -9.225 1.361 -14.805 1.00 0.00 H new ATOM 0 HE21 GLN A 176 -7.494 2.816 -13.978 1.00 0.00 H new ATOM 0 HE22 GLN A 176 -5.811 2.312 -14.165 1.00 0.00 H new ATOM 143 N ASN A 177 -9.596 -3.673 -16.090 1.00 0.00 N ATOM 144 CA ASN A 177 -10.035 -4.880 -16.815 1.00 0.00 C ATOM 145 C ASN A 177 -11.555 -5.177 -16.855 1.00 0.00 C ATOM 146 O ASN A 177 -11.959 -6.131 -17.526 1.00 0.00 O ATOM 147 CB ASN A 177 -9.233 -6.097 -16.305 1.00 0.00 C ATOM 148 CG ASN A 177 -9.722 -6.666 -14.980 1.00 0.00 C ATOM 149 OD1 ASN A 177 -10.247 -5.969 -14.124 1.00 0.00 O ATOM 150 ND2 ASN A 177 -9.568 -7.951 -14.759 1.00 0.00 N ATOM 0 H ASN A 177 -8.972 -3.890 -15.313 1.00 0.00 H new ATOM 0 HA ASN A 177 -9.819 -4.668 -17.862 1.00 0.00 H new ATOM 0 HB2 ASN A 177 -9.271 -6.883 -17.059 1.00 0.00 H new ATOM 0 HB3 ASN A 177 -8.187 -5.808 -16.198 1.00 0.00 H new ATOM 0 HD21 ASN A 177 -9.885 -8.359 -13.880 1.00 0.00 H new ATOM 0 HD22 ASN A 177 -9.131 -8.541 -15.467 1.00 0.00 H new ATOM 157 N ARG A 178 -12.407 -4.398 -16.168 1.00 0.00 N ATOM 158 CA ARG A 178 -13.875 -4.573 -16.170 1.00 0.00 C ATOM 159 C ARG A 178 -14.513 -4.396 -17.559 1.00 0.00 C ATOM 160 O ARG A 178 -15.587 -4.944 -17.812 1.00 0.00 O ATOM 161 CB ARG A 178 -14.542 -3.596 -15.184 1.00 0.00 C ATOM 162 CG ARG A 178 -14.295 -3.885 -13.691 1.00 0.00 C ATOM 163 CD ARG A 178 -13.236 -2.990 -13.029 1.00 0.00 C ATOM 164 NE ARG A 178 -11.873 -3.545 -13.100 1.00 0.00 N ATOM 165 CZ ARG A 178 -10.810 -3.016 -12.515 1.00 0.00 C ATOM 166 NH1 ARG A 178 -10.825 -1.850 -11.929 1.00 0.00 N ATOM 167 NH2 ARG A 178 -9.679 -3.658 -12.502 1.00 0.00 N ATOM 0 H ARG A 178 -12.095 -3.619 -15.588 1.00 0.00 H new ATOM 0 HA ARG A 178 -14.047 -5.604 -15.860 1.00 0.00 H new ATOM 0 HB2 ARG A 178 -14.189 -2.588 -15.404 1.00 0.00 H new ATOM 0 HB3 ARG A 178 -15.617 -3.603 -15.364 1.00 0.00 H new ATOM 0 HG2 ARG A 178 -15.236 -3.770 -13.153 1.00 0.00 H new ATOM 0 HG3 ARG A 178 -13.990 -4.926 -13.582 1.00 0.00 H new ATOM 0 HD2 ARG A 178 -13.247 -2.011 -13.509 1.00 0.00 H new ATOM 0 HD3 ARG A 178 -13.503 -2.836 -11.984 1.00 0.00 H new ATOM 0 HE ARG A 178 -11.739 -4.400 -13.640 1.00 0.00 H new ATOM 0 HH11 ARG A 178 -11.684 -1.301 -11.907 1.00 0.00 H new ATOM 0 HH12 ARG A 178 -9.977 -1.488 -11.493 1.00 0.00 H new ATOM 0 HH21 ARG A 178 -9.608 -4.574 -12.944 1.00 0.00 H new ATOM 0 HH22 ARG A 178 -8.863 -3.245 -12.050 1.00 0.00 H new ATOM 181 N GLU A 179 -13.871 -3.644 -18.454 1.00 0.00 N ATOM 182 CA GLU A 179 -14.331 -3.360 -19.824 1.00 0.00 C ATOM 183 C GLU A 179 -13.134 -3.085 -20.768 1.00 0.00 C ATOM 184 O GLU A 179 -11.983 -3.033 -20.324 1.00 0.00 O ATOM 185 CB GLU A 179 -15.314 -2.168 -19.769 1.00 0.00 C ATOM 186 CG GLU A 179 -16.325 -2.140 -20.926 1.00 0.00 C ATOM 187 CD GLU A 179 -17.374 -1.040 -20.716 1.00 0.00 C ATOM 188 OE1 GLU A 179 -17.087 0.126 -21.081 1.00 0.00 O ATOM 189 OE2 GLU A 179 -18.467 -1.358 -20.188 1.00 0.00 O ATOM 0 H GLU A 179 -12.980 -3.196 -18.241 1.00 0.00 H new ATOM 0 HA GLU A 179 -14.847 -4.228 -20.233 1.00 0.00 H new ATOM 0 HB2 GLU A 179 -15.858 -2.202 -18.825 1.00 0.00 H new ATOM 0 HB3 GLU A 179 -14.744 -1.239 -19.775 1.00 0.00 H new ATOM 0 HG2 GLU A 179 -15.801 -1.972 -21.867 1.00 0.00 H new ATOM 0 HG3 GLU A 179 -16.819 -3.108 -21.005 1.00 0.00 H new ATOM 196 N MET A 180 -13.388 -2.896 -22.068 1.00 0.00 N ATOM 197 CA MET A 180 -12.377 -2.609 -23.101 1.00 0.00 C ATOM 198 C MET A 180 -12.867 -1.528 -24.081 1.00 0.00 C ATOM 199 O MET A 180 -14.065 -1.423 -24.360 1.00 0.00 O ATOM 200 CB MET A 180 -12.046 -3.892 -23.886 1.00 0.00 C ATOM 201 CG MET A 180 -11.347 -4.963 -23.042 1.00 0.00 C ATOM 202 SD MET A 180 -10.899 -6.445 -23.988 1.00 0.00 S ATOM 203 CE MET A 180 -10.153 -7.430 -22.661 1.00 0.00 C ATOM 0 H MET A 180 -14.334 -2.939 -22.446 1.00 0.00 H new ATOM 0 HA MET A 180 -11.484 -2.241 -22.597 1.00 0.00 H new ATOM 0 HB2 MET A 180 -12.968 -4.307 -24.294 1.00 0.00 H new ATOM 0 HB3 MET A 180 -11.410 -3.636 -24.733 1.00 0.00 H new ATOM 0 HG2 MET A 180 -10.446 -4.537 -22.600 1.00 0.00 H new ATOM 0 HG3 MET A 180 -12.001 -5.250 -22.218 1.00 0.00 H new ATOM 0 HE1 MET A 180 -9.816 -8.386 -23.063 1.00 0.00 H new ATOM 0 HE2 MET A 180 -9.302 -6.892 -22.243 1.00 0.00 H new ATOM 0 HE3 MET A 180 -10.892 -7.605 -21.879 1.00 0.00 H new ATOM 213 N ILE A 181 -11.934 -0.734 -24.618 1.00 0.00 N ATOM 214 CA ILE A 181 -12.198 0.326 -25.606 1.00 0.00 C ATOM 215 C ILE A 181 -12.674 -0.270 -26.948 1.00 0.00 C ATOM 216 O ILE A 181 -12.319 -1.394 -27.304 1.00 0.00 O ATOM 217 CB ILE A 181 -10.953 1.240 -25.729 1.00 0.00 C ATOM 218 CG1 ILE A 181 -11.294 2.553 -26.469 1.00 0.00 C ATOM 219 CG2 ILE A 181 -9.739 0.510 -26.339 1.00 0.00 C ATOM 220 CD1 ILE A 181 -10.185 3.611 -26.406 1.00 0.00 C ATOM 0 H ILE A 181 -10.947 -0.810 -24.373 1.00 0.00 H new ATOM 0 HA ILE A 181 -13.021 0.955 -25.267 1.00 0.00 H new ATOM 0 HB ILE A 181 -10.651 1.512 -24.717 1.00 0.00 H new ATOM 0 HG12 ILE A 181 -11.505 2.325 -27.514 1.00 0.00 H new ATOM 0 HG13 ILE A 181 -12.206 2.972 -26.043 1.00 0.00 H new ATOM 0 HG21 ILE A 181 -8.895 1.197 -26.402 1.00 0.00 H new ATOM 0 HG22 ILE A 181 -9.470 -0.338 -25.709 1.00 0.00 H new ATOM 0 HG23 ILE A 181 -9.992 0.154 -27.338 1.00 0.00 H new ATOM 0 HD11 ILE A 181 -10.501 4.502 -26.949 1.00 0.00 H new ATOM 0 HD12 ILE A 181 -9.988 3.870 -25.366 1.00 0.00 H new ATOM 0 HD13 ILE A 181 -9.277 3.213 -26.859 1.00 0.00 H new ATOM 232 N ASP A 182 -13.492 0.477 -27.693 1.00 0.00 N ATOM 233 CA ASP A 182 -14.137 0.056 -28.950 1.00 0.00 C ATOM 234 C ASP A 182 -13.856 0.976 -30.168 1.00 0.00 C ATOM 235 O ASP A 182 -14.781 1.579 -30.723 1.00 0.00 O ATOM 236 CB ASP A 182 -15.643 -0.161 -28.674 1.00 0.00 C ATOM 237 CG ASP A 182 -16.450 1.118 -28.381 1.00 0.00 C ATOM 238 OD1 ASP A 182 -15.953 1.987 -27.622 1.00 0.00 O ATOM 239 OD2 ASP A 182 -17.596 1.215 -28.884 1.00 0.00 O ATOM 0 H ASP A 182 -13.736 1.432 -27.431 1.00 0.00 H new ATOM 0 HA ASP A 182 -13.684 -0.884 -29.264 1.00 0.00 H new ATOM 0 HB2 ASP A 182 -16.085 -0.660 -29.536 1.00 0.00 H new ATOM 0 HB3 ASP A 182 -15.746 -0.838 -27.826 1.00 0.00 H new ATOM 244 N PRO A 183 -12.587 1.103 -30.608 1.00 0.00 N ATOM 245 CA PRO A 183 -12.216 1.907 -31.773 1.00 0.00 C ATOM 246 C PRO A 183 -12.542 1.178 -33.090 1.00 0.00 C ATOM 247 O PRO A 183 -12.784 -0.033 -33.116 1.00 0.00 O ATOM 248 CB PRO A 183 -10.704 2.110 -31.627 1.00 0.00 C ATOM 249 CG PRO A 183 -10.247 0.796 -30.997 1.00 0.00 C ATOM 250 CD PRO A 183 -11.404 0.451 -30.061 1.00 0.00 C ATOM 0 HA PRO A 183 -12.767 2.847 -31.811 1.00 0.00 H new ATOM 0 HB2 PRO A 183 -10.224 2.286 -32.590 1.00 0.00 H new ATOM 0 HB3 PRO A 183 -10.470 2.966 -30.994 1.00 0.00 H new ATOM 0 HG2 PRO A 183 -10.088 0.021 -31.747 1.00 0.00 H new ATOM 0 HG3 PRO A 183 -9.309 0.912 -30.455 1.00 0.00 H new ATOM 0 HD2 PRO A 183 -11.548 -0.628 -30.003 1.00 0.00 H new ATOM 0 HD3 PRO A 183 -11.202 0.801 -29.049 1.00 0.00 H new ATOM 258 N ASP A 184 -12.492 1.901 -34.210 1.00 0.00 N ATOM 259 CA ASP A 184 -12.647 1.308 -35.544 1.00 0.00 C ATOM 260 C ASP A 184 -11.380 0.516 -35.932 1.00 0.00 C ATOM 261 O ASP A 184 -10.258 0.958 -35.662 1.00 0.00 O ATOM 262 CB ASP A 184 -12.969 2.395 -36.583 1.00 0.00 C ATOM 263 CG ASP A 184 -11.811 3.370 -36.834 1.00 0.00 C ATOM 264 OD1 ASP A 184 -11.585 4.248 -35.966 1.00 0.00 O ATOM 265 OD2 ASP A 184 -11.165 3.253 -37.903 1.00 0.00 O ATOM 0 H ASP A 184 -12.344 2.910 -34.221 1.00 0.00 H new ATOM 0 HA ASP A 184 -13.484 0.610 -35.523 1.00 0.00 H new ATOM 0 HB2 ASP A 184 -13.240 1.917 -37.524 1.00 0.00 H new ATOM 0 HB3 ASP A 184 -13.840 2.958 -36.249 1.00 0.00 H new ATOM 270 N LYS A 185 -11.549 -0.643 -36.578 1.00 0.00 N ATOM 271 CA LYS A 185 -10.471 -1.541 -37.025 1.00 0.00 C ATOM 272 C LYS A 185 -10.761 -2.074 -38.432 1.00 0.00 C ATOM 273 O LYS A 185 -11.901 -2.024 -38.893 1.00 0.00 O ATOM 274 CB LYS A 185 -10.325 -2.692 -36.012 1.00 0.00 C ATOM 275 CG LYS A 185 -9.764 -2.302 -34.634 1.00 0.00 C ATOM 276 CD LYS A 185 -8.301 -1.839 -34.692 1.00 0.00 C ATOM 277 CE LYS A 185 -7.784 -1.552 -33.280 1.00 0.00 C ATOM 278 NZ LYS A 185 -6.371 -1.119 -33.307 1.00 0.00 N ATOM 0 H LYS A 185 -12.476 -0.998 -36.814 1.00 0.00 H new ATOM 0 HA LYS A 185 -9.532 -0.990 -37.074 1.00 0.00 H new ATOM 0 HB2 LYS A 185 -11.303 -3.151 -35.869 1.00 0.00 H new ATOM 0 HB3 LYS A 185 -9.676 -3.453 -36.446 1.00 0.00 H new ATOM 0 HG2 LYS A 185 -10.375 -1.505 -34.211 1.00 0.00 H new ATOM 0 HG3 LYS A 185 -9.843 -3.156 -33.961 1.00 0.00 H new ATOM 0 HD2 LYS A 185 -7.687 -2.606 -35.164 1.00 0.00 H new ATOM 0 HD3 LYS A 185 -8.219 -0.943 -35.307 1.00 0.00 H new ATOM 0 HE2 LYS A 185 -8.396 -0.778 -32.816 1.00 0.00 H new ATOM 0 HE3 LYS A 185 -7.881 -2.447 -32.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 185 -6.047 -0.931 -32.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 185 -5.786 -1.869 -33.729 1.00 0.00 H new ATOM 0 HZ3 LYS A 185 -6.284 -0.252 -33.875 1.00 0.00 H new ATOM 292 N PHE A 186 -9.735 -2.583 -39.113 1.00 0.00 N ATOM 293 CA PHE A 186 -9.824 -3.080 -40.493 1.00 0.00 C ATOM 294 C PHE A 186 -8.875 -4.264 -40.760 1.00 0.00 C ATOM 295 O PHE A 186 -7.846 -4.409 -40.093 1.00 0.00 O ATOM 296 CB PHE A 186 -9.513 -1.896 -41.432 1.00 0.00 C ATOM 297 CG PHE A 186 -9.480 -2.216 -42.918 1.00 0.00 C ATOM 298 CD1 PHE A 186 -10.677 -2.459 -43.615 1.00 0.00 C ATOM 299 CD2 PHE A 186 -8.252 -2.286 -43.605 1.00 0.00 C ATOM 300 CE1 PHE A 186 -10.650 -2.822 -44.973 1.00 0.00 C ATOM 301 CE2 PHE A 186 -8.226 -2.605 -44.975 1.00 0.00 C ATOM 302 CZ PHE A 186 -9.423 -2.885 -45.657 1.00 0.00 C ATOM 0 H PHE A 186 -8.799 -2.665 -38.717 1.00 0.00 H new ATOM 0 HA PHE A 186 -10.828 -3.465 -40.673 1.00 0.00 H new ATOM 0 HB2 PHE A 186 -10.259 -1.119 -41.264 1.00 0.00 H new ATOM 0 HB3 PHE A 186 -8.547 -1.477 -41.149 1.00 0.00 H new ATOM 0 HD1 PHE A 186 -11.624 -2.366 -43.104 1.00 0.00 H new ATOM 0 HD2 PHE A 186 -7.329 -2.094 -43.079 1.00 0.00 H new ATOM 0 HE1 PHE A 186 -11.570 -3.052 -45.490 1.00 0.00 H new ATOM 0 HE2 PHE A 186 -7.285 -2.635 -45.504 1.00 0.00 H new ATOM 0 HZ PHE A 186 -9.400 -3.148 -46.704 1.00 0.00 H new ATOM 312 N CYS A 187 -9.215 -5.084 -41.757 1.00 0.00 N ATOM 313 CA CYS A 187 -8.453 -6.234 -42.242 1.00 0.00 C ATOM 314 C CYS A 187 -8.261 -6.109 -43.765 1.00 0.00 C ATOM 315 O CYS A 187 -9.218 -6.179 -44.543 1.00 0.00 O ATOM 316 CB CYS A 187 -9.183 -7.532 -41.866 1.00 0.00 C ATOM 317 SG CYS A 187 -8.187 -8.966 -42.376 1.00 0.00 S ATOM 0 H CYS A 187 -10.082 -4.954 -42.278 1.00 0.00 H new ATOM 0 HA CYS A 187 -7.468 -6.259 -41.776 1.00 0.00 H new ATOM 0 HB2 CYS A 187 -9.359 -7.563 -40.791 1.00 0.00 H new ATOM 0 HB3 CYS A 187 -10.159 -7.565 -42.350 1.00 0.00 H new ATOM 322 N SER A 188 -7.013 -5.891 -44.193 1.00 0.00 N ATOM 323 CA SER A 188 -6.650 -5.737 -45.609 1.00 0.00 C ATOM 324 C SER A 188 -6.706 -7.061 -46.390 1.00 0.00 C ATOM 325 O SER A 188 -7.041 -7.073 -47.578 1.00 0.00 O ATOM 326 CB SER A 188 -5.245 -5.127 -45.701 1.00 0.00 C ATOM 327 OG SER A 188 -4.950 -4.722 -47.028 1.00 0.00 O ATOM 0 H SER A 188 -6.217 -5.815 -43.560 1.00 0.00 H new ATOM 0 HA SER A 188 -7.385 -5.077 -46.069 1.00 0.00 H new ATOM 0 HB2 SER A 188 -5.173 -4.270 -45.031 1.00 0.00 H new ATOM 0 HB3 SER A 188 -4.506 -5.856 -45.367 1.00 0.00 H new ATOM 0 HG SER A 188 -4.050 -4.335 -47.060 1.00 0.00 H new ATOM 333 N LEU A 189 -6.419 -8.189 -45.727 1.00 0.00 N ATOM 334 CA LEU A 189 -6.430 -9.531 -46.325 1.00 0.00 C ATOM 335 C LEU A 189 -7.851 -10.038 -46.656 1.00 0.00 C ATOM 336 O LEU A 189 -7.982 -10.917 -47.513 1.00 0.00 O ATOM 337 CB LEU A 189 -5.710 -10.533 -45.395 1.00 0.00 C ATOM 338 CG LEU A 189 -4.173 -10.450 -45.291 1.00 0.00 C ATOM 339 CD1 LEU A 189 -3.483 -10.593 -46.651 1.00 0.00 C ATOM 340 CD2 LEU A 189 -3.654 -9.176 -44.621 1.00 0.00 C ATOM 0 H LEU A 189 -6.167 -8.194 -44.739 1.00 0.00 H new ATOM 0 HA LEU A 189 -5.897 -9.455 -47.273 1.00 0.00 H new ATOM 0 HB2 LEU A 189 -6.119 -10.411 -44.392 1.00 0.00 H new ATOM 0 HB3 LEU A 189 -5.968 -11.539 -45.725 1.00 0.00 H new ATOM 0 HG LEU A 189 -3.918 -11.296 -44.652 1.00 0.00 H new ATOM 0 HD11 LEU A 189 -2.403 -10.527 -46.520 1.00 0.00 H new ATOM 0 HD12 LEU A 189 -3.737 -11.559 -47.088 1.00 0.00 H new ATOM 0 HD13 LEU A 189 -3.817 -9.795 -47.314 1.00 0.00 H new ATOM 0 HD21 LEU A 189 -2.565 -9.199 -44.589 1.00 0.00 H new ATOM 0 HD22 LEU A 189 -3.982 -8.306 -45.190 1.00 0.00 H new ATOM 0 HD23 LEU A 189 -4.045 -9.114 -43.606 1.00 0.00 H new ATOM 352 N CYS A 190 -8.883 -9.481 -46.010 1.00 0.00 N ATOM 353 CA CYS A 190 -10.299 -9.849 -46.158 1.00 0.00 C ATOM 354 C CYS A 190 -11.203 -8.684 -46.621 1.00 0.00 C ATOM 355 O CYS A 190 -12.383 -8.904 -46.918 1.00 0.00 O ATOM 356 CB CYS A 190 -10.810 -10.353 -44.792 1.00 0.00 C ATOM 357 SG CYS A 190 -9.872 -11.772 -44.146 1.00 0.00 S ATOM 0 H CYS A 190 -8.748 -8.726 -45.338 1.00 0.00 H new ATOM 0 HA CYS A 190 -10.352 -10.614 -46.933 1.00 0.00 H new ATOM 0 HB2 CYS A 190 -10.762 -9.537 -44.071 1.00 0.00 H new ATOM 0 HB3 CYS A 190 -11.859 -10.633 -44.886 1.00 0.00 H new ATOM 362 N HIS A 191 -10.680 -7.449 -46.648 1.00 0.00 N ATOM 363 CA HIS A 191 -11.416 -6.205 -46.927 1.00 0.00 C ATOM 364 C HIS A 191 -12.662 -6.096 -46.022 1.00 0.00 C ATOM 365 O HIS A 191 -13.801 -5.987 -46.487 1.00 0.00 O ATOM 366 CB HIS A 191 -11.666 -6.043 -48.437 1.00 0.00 C ATOM 367 CG HIS A 191 -11.942 -4.614 -48.833 1.00 0.00 C ATOM 368 ND1 HIS A 191 -13.158 -3.962 -48.751 1.00 0.00 N ATOM 369 CD2 HIS A 191 -11.025 -3.719 -49.313 1.00 0.00 C ATOM 370 CE1 HIS A 191 -12.985 -2.694 -49.172 1.00 0.00 C ATOM 371 NE2 HIS A 191 -11.694 -2.528 -49.519 1.00 0.00 N ATOM 0 H HIS A 191 -9.690 -7.282 -46.468 1.00 0.00 H new ATOM 0 HA HIS A 191 -10.809 -5.340 -46.661 1.00 0.00 H new ATOM 0 HB2 HIS A 191 -10.797 -6.406 -48.986 1.00 0.00 H new ATOM 0 HB3 HIS A 191 -12.511 -6.666 -48.730 1.00 0.00 H new ATOM 0 HD2 HIS A 191 -9.977 -3.908 -49.496 1.00 0.00 H new ATOM 0 HE1 HIS A 191 -13.753 -1.937 -49.223 1.00 0.00 H new ATOM 0 HE2 HIS A 191 -11.279 -1.667 -49.875 1.00 0.00 H new ATOM 380 N ALA A 192 -12.426 -6.173 -44.709 1.00 0.00 N ATOM 381 CA ALA A 192 -13.441 -6.189 -43.648 1.00 0.00 C ATOM 382 C ALA A 192 -13.175 -5.107 -42.585 1.00 0.00 C ATOM 383 O ALA A 192 -12.021 -4.792 -42.300 1.00 0.00 O ATOM 384 CB ALA A 192 -13.448 -7.596 -43.027 1.00 0.00 C ATOM 0 H ALA A 192 -11.478 -6.229 -44.338 1.00 0.00 H new ATOM 0 HA ALA A 192 -14.419 -5.960 -44.071 1.00 0.00 H new ATOM 0 HB1 ALA A 192 -14.194 -7.640 -42.233 1.00 0.00 H new ATOM 0 HB2 ALA A 192 -13.691 -8.331 -43.794 1.00 0.00 H new ATOM 0 HB3 ALA A 192 -12.464 -7.816 -42.613 1.00 0.00 H new ATOM 390 N THR A 193 -14.238 -4.551 -41.991 1.00 0.00 N ATOM 391 CA THR A 193 -14.184 -3.462 -40.989 1.00 0.00 C ATOM 392 C THR A 193 -14.902 -3.867 -39.696 1.00 0.00 C ATOM 393 O THR A 193 -15.897 -4.597 -39.743 1.00 0.00 O ATOM 394 CB THR A 193 -14.821 -2.177 -41.561 1.00 0.00 C ATOM 395 OG1 THR A 193 -14.287 -1.871 -42.835 1.00 0.00 O ATOM 396 CG2 THR A 193 -14.589 -0.931 -40.703 1.00 0.00 C ATOM 0 H THR A 193 -15.191 -4.850 -42.196 1.00 0.00 H new ATOM 0 HA THR A 193 -13.136 -3.271 -40.756 1.00 0.00 H new ATOM 0 HB THR A 193 -15.887 -2.401 -41.596 1.00 0.00 H new ATOM 0 HG1 THR A 193 -14.706 -1.054 -43.178 1.00 0.00 H new ATOM 0 HG21 THR A 193 -15.067 -0.072 -41.173 1.00 0.00 H new ATOM 0 HG22 THR A 193 -15.015 -1.087 -39.712 1.00 0.00 H new ATOM 0 HG23 THR A 193 -13.519 -0.746 -40.612 1.00 0.00 H new ATOM 404 N PHE A 194 -14.415 -3.393 -38.543 1.00 0.00 N ATOM 405 CA PHE A 194 -14.939 -3.719 -37.207 1.00 0.00 C ATOM 406 C PHE A 194 -15.033 -2.462 -36.329 1.00 0.00 C ATOM 407 O PHE A 194 -14.326 -1.480 -36.566 1.00 0.00 O ATOM 408 CB PHE A 194 -14.037 -4.783 -36.542 1.00 0.00 C ATOM 409 CG PHE A 194 -13.424 -5.782 -37.510 1.00 0.00 C ATOM 410 CD1 PHE A 194 -14.216 -6.802 -38.071 1.00 0.00 C ATOM 411 CD2 PHE A 194 -12.098 -5.605 -37.953 1.00 0.00 C ATOM 412 CE1 PHE A 194 -13.692 -7.617 -39.090 1.00 0.00 C ATOM 413 CE2 PHE A 194 -11.576 -6.417 -38.971 1.00 0.00 C ATOM 414 CZ PHE A 194 -12.377 -7.416 -39.546 1.00 0.00 C ATOM 0 H PHE A 194 -13.622 -2.753 -38.511 1.00 0.00 H new ATOM 0 HA PHE A 194 -15.946 -4.122 -37.315 1.00 0.00 H new ATOM 0 HB2 PHE A 194 -13.235 -4.277 -36.005 1.00 0.00 H new ATOM 0 HB3 PHE A 194 -14.623 -5.327 -35.801 1.00 0.00 H new ATOM 0 HD1 PHE A 194 -15.225 -6.958 -37.719 1.00 0.00 H new ATOM 0 HD2 PHE A 194 -11.480 -4.840 -37.506 1.00 0.00 H new ATOM 0 HE1 PHE A 194 -14.300 -8.398 -39.523 1.00 0.00 H new ATOM 0 HE2 PHE A 194 -10.561 -6.274 -39.311 1.00 0.00 H new ATOM 0 HZ PHE A 194 -11.982 -8.032 -40.341 1.00 0.00 H new ATOM 424 N ASN A 195 -15.899 -2.487 -35.309 1.00 0.00 N ATOM 425 CA ASN A 195 -16.148 -1.354 -34.401 1.00 0.00 C ATOM 426 C ASN A 195 -16.257 -1.771 -32.916 1.00 0.00 C ATOM 427 O ASN A 195 -16.809 -1.035 -32.098 1.00 0.00 O ATOM 428 CB ASN A 195 -17.404 -0.604 -34.895 1.00 0.00 C ATOM 429 CG ASN A 195 -17.221 0.034 -36.264 1.00 0.00 C ATOM 430 OD1 ASN A 195 -17.567 -0.529 -37.294 1.00 0.00 O ATOM 431 ND2 ASN A 195 -16.681 1.232 -36.322 1.00 0.00 N ATOM 0 H ASN A 195 -16.459 -3.310 -35.085 1.00 0.00 H new ATOM 0 HA ASN A 195 -15.286 -0.687 -34.430 1.00 0.00 H new ATOM 0 HB2 ASN A 195 -18.242 -1.299 -34.934 1.00 0.00 H new ATOM 0 HB3 ASN A 195 -17.665 0.169 -34.173 1.00 0.00 H new ATOM 0 HD21 ASN A 195 -16.551 1.690 -37.224 1.00 0.00 H new ATOM 0 HD22 ASN A 195 -16.392 1.703 -35.465 1.00 0.00 H new ATOM 438 N ASP A 196 -15.732 -2.944 -32.547 1.00 0.00 N ATOM 439 CA ASP A 196 -15.723 -3.482 -31.178 1.00 0.00 C ATOM 440 C ASP A 196 -14.429 -4.282 -30.918 1.00 0.00 C ATOM 441 O ASP A 196 -13.866 -4.846 -31.864 1.00 0.00 O ATOM 442 CB ASP A 196 -16.965 -4.366 -30.958 1.00 0.00 C ATOM 443 CG ASP A 196 -18.245 -3.543 -30.781 1.00 0.00 C ATOM 444 OD1 ASP A 196 -18.410 -2.962 -29.683 1.00 0.00 O ATOM 445 OD2 ASP A 196 -19.067 -3.518 -31.728 1.00 0.00 O ATOM 0 H ASP A 196 -15.284 -3.570 -33.217 1.00 0.00 H new ATOM 0 HA ASP A 196 -15.753 -2.653 -30.471 1.00 0.00 H new ATOM 0 HB2 ASP A 196 -17.084 -5.039 -31.807 1.00 0.00 H new ATOM 0 HB3 ASP A 196 -16.812 -4.989 -30.077 1.00 0.00 H new ATOM 450 N PRO A 197 -13.944 -4.355 -29.660 1.00 0.00 N ATOM 451 CA PRO A 197 -12.685 -5.029 -29.334 1.00 0.00 C ATOM 452 C PRO A 197 -12.722 -6.528 -29.625 1.00 0.00 C ATOM 453 O PRO A 197 -11.828 -7.078 -30.268 1.00 0.00 O ATOM 454 CB PRO A 197 -12.449 -4.789 -27.833 1.00 0.00 C ATOM 455 CG PRO A 197 -13.811 -4.377 -27.275 1.00 0.00 C ATOM 456 CD PRO A 197 -14.537 -3.766 -28.467 1.00 0.00 C ATOM 0 HA PRO A 197 -11.882 -4.628 -29.953 1.00 0.00 H new ATOM 0 HB2 PRO A 197 -12.079 -5.690 -27.343 1.00 0.00 H new ATOM 0 HB3 PRO A 197 -11.705 -4.009 -27.671 1.00 0.00 H new ATOM 0 HG2 PRO A 197 -14.353 -5.234 -26.876 1.00 0.00 H new ATOM 0 HG3 PRO A 197 -13.707 -3.659 -26.462 1.00 0.00 H new ATOM 0 HD2 PRO A 197 -15.605 -3.977 -28.420 1.00 0.00 H new ATOM 0 HD3 PRO A 197 -14.427 -2.682 -28.474 1.00 0.00 H new ATOM 464 N VAL A 198 -13.777 -7.191 -29.148 1.00 0.00 N ATOM 465 CA VAL A 198 -13.971 -8.636 -29.300 1.00 0.00 C ATOM 466 C VAL A 198 -14.269 -8.990 -30.757 1.00 0.00 C ATOM 467 O VAL A 198 -13.749 -9.985 -31.245 1.00 0.00 O ATOM 468 CB VAL A 198 -15.051 -9.132 -28.319 1.00 0.00 C ATOM 469 CG1 VAL A 198 -15.304 -10.639 -28.438 1.00 0.00 C ATOM 470 CG2 VAL A 198 -14.605 -8.840 -26.875 1.00 0.00 C ATOM 0 H VAL A 198 -14.532 -6.733 -28.638 1.00 0.00 H new ATOM 0 HA VAL A 198 -13.049 -9.158 -29.043 1.00 0.00 H new ATOM 0 HB VAL A 198 -15.972 -8.606 -28.569 1.00 0.00 H new ATOM 0 HG11 VAL A 198 -16.073 -10.936 -27.725 1.00 0.00 H new ATOM 0 HG12 VAL A 198 -15.636 -10.873 -29.449 1.00 0.00 H new ATOM 0 HG13 VAL A 198 -14.383 -11.181 -28.224 1.00 0.00 H new ATOM 0 HG21 VAL A 198 -15.368 -9.191 -26.180 1.00 0.00 H new ATOM 0 HG22 VAL A 198 -13.666 -9.356 -26.673 1.00 0.00 H new ATOM 0 HG23 VAL A 198 -14.464 -7.767 -26.748 1.00 0.00 H new ATOM 480 N MET A 199 -15.021 -8.159 -31.488 1.00 0.00 N ATOM 481 CA MET A 199 -15.287 -8.363 -32.922 1.00 0.00 C ATOM 482 C MET A 199 -13.978 -8.359 -33.727 1.00 0.00 C ATOM 483 O MET A 199 -13.736 -9.272 -34.519 1.00 0.00 O ATOM 484 CB MET A 199 -16.242 -7.262 -33.411 1.00 0.00 C ATOM 485 CG MET A 199 -16.684 -7.428 -34.870 1.00 0.00 C ATOM 486 SD MET A 199 -17.563 -5.989 -35.551 1.00 0.00 S ATOM 487 CE MET A 199 -19.076 -5.998 -34.548 1.00 0.00 C ATOM 0 H MET A 199 -15.464 -7.324 -31.104 1.00 0.00 H new ATOM 0 HA MET A 199 -15.754 -9.336 -33.072 1.00 0.00 H new ATOM 0 HB2 MET A 199 -17.125 -7.251 -32.773 1.00 0.00 H new ATOM 0 HB3 MET A 199 -15.754 -6.294 -33.297 1.00 0.00 H new ATOM 0 HG2 MET A 199 -15.805 -7.627 -35.484 1.00 0.00 H new ATOM 0 HG3 MET A 199 -17.330 -8.303 -34.945 1.00 0.00 H new ATOM 0 HE1 MET A 199 -19.749 -5.215 -34.897 1.00 0.00 H new ATOM 0 HE2 MET A 199 -19.568 -6.966 -34.640 1.00 0.00 H new ATOM 0 HE3 MET A 199 -18.821 -5.818 -33.504 1.00 0.00 H new ATOM 497 N ALA A 200 -13.111 -7.367 -33.486 1.00 0.00 N ATOM 498 CA ALA A 200 -11.795 -7.277 -34.115 1.00 0.00 C ATOM 499 C ALA A 200 -10.932 -8.502 -33.768 1.00 0.00 C ATOM 500 O ALA A 200 -10.429 -9.192 -34.657 1.00 0.00 O ATOM 501 CB ALA A 200 -11.117 -5.987 -33.636 1.00 0.00 C ATOM 0 H ALA A 200 -13.309 -6.600 -32.843 1.00 0.00 H new ATOM 0 HA ALA A 200 -11.910 -7.258 -35.199 1.00 0.00 H new ATOM 0 HB1 ALA A 200 -10.132 -5.902 -34.095 1.00 0.00 H new ATOM 0 HB2 ALA A 200 -11.726 -5.129 -33.921 1.00 0.00 H new ATOM 0 HB3 ALA A 200 -11.011 -6.013 -32.551 1.00 0.00 H new ATOM 507 N GLN A 201 -10.786 -8.790 -32.469 1.00 0.00 N ATOM 508 CA GLN A 201 -9.981 -9.905 -31.972 1.00 0.00 C ATOM 509 C GLN A 201 -10.445 -11.266 -32.526 1.00 0.00 C ATOM 510 O GLN A 201 -9.615 -12.069 -32.957 1.00 0.00 O ATOM 511 CB GLN A 201 -9.991 -9.882 -30.435 1.00 0.00 C ATOM 512 CG GLN A 201 -9.025 -10.909 -29.821 1.00 0.00 C ATOM 513 CD GLN A 201 -8.978 -10.819 -28.294 1.00 0.00 C ATOM 514 OE1 GLN A 201 -9.992 -10.801 -27.607 1.00 0.00 O ATOM 515 NE2 GLN A 201 -7.805 -10.763 -27.697 1.00 0.00 N ATOM 0 H GLN A 201 -11.230 -8.248 -31.728 1.00 0.00 H new ATOM 0 HA GLN A 201 -8.959 -9.779 -32.330 1.00 0.00 H new ATOM 0 HB2 GLN A 201 -9.722 -8.884 -30.089 1.00 0.00 H new ATOM 0 HB3 GLN A 201 -11.002 -10.082 -30.079 1.00 0.00 H new ATOM 0 HG2 GLN A 201 -9.331 -11.913 -30.115 1.00 0.00 H new ATOM 0 HG3 GLN A 201 -8.025 -10.750 -30.223 1.00 0.00 H new ATOM 0 HE21 GLN A 201 -6.949 -10.777 -28.252 1.00 0.00 H new ATOM 0 HE22 GLN A 201 -7.753 -10.706 -26.680 1.00 0.00 H new ATOM 524 N GLN A 202 -11.760 -11.519 -32.550 1.00 0.00 N ATOM 525 CA GLN A 202 -12.355 -12.746 -33.088 1.00 0.00 C ATOM 526 C GLN A 202 -12.089 -12.880 -34.590 1.00 0.00 C ATOM 527 O GLN A 202 -11.727 -13.967 -35.045 1.00 0.00 O ATOM 528 CB GLN A 202 -13.869 -12.781 -32.803 1.00 0.00 C ATOM 529 CG GLN A 202 -14.190 -13.138 -31.338 1.00 0.00 C ATOM 530 CD GLN A 202 -13.840 -14.576 -30.947 1.00 0.00 C ATOM 531 OE1 GLN A 202 -13.776 -15.492 -31.758 1.00 0.00 O ATOM 532 NE2 GLN A 202 -13.593 -14.838 -29.680 1.00 0.00 N ATOM 0 H GLN A 202 -12.452 -10.863 -32.189 1.00 0.00 H new ATOM 0 HA GLN A 202 -11.885 -13.593 -32.588 1.00 0.00 H new ATOM 0 HB2 GLN A 202 -14.302 -11.809 -33.039 1.00 0.00 H new ATOM 0 HB3 GLN A 202 -14.342 -13.509 -33.462 1.00 0.00 H new ATOM 0 HG2 GLN A 202 -13.649 -12.454 -30.683 1.00 0.00 H new ATOM 0 HG3 GLN A 202 -15.253 -12.975 -31.161 1.00 0.00 H new ATOM 0 HE21 GLN A 202 -13.640 -14.092 -28.986 1.00 0.00 H new ATOM 0 HE22 GLN A 202 -13.355 -15.787 -29.393 1.00 0.00 H new ATOM 541 N HIS A 203 -12.209 -11.793 -35.364 1.00 0.00 N ATOM 542 CA HIS A 203 -11.906 -11.838 -36.796 1.00 0.00 C ATOM 543 C HIS A 203 -10.447 -12.260 -37.034 1.00 0.00 C ATOM 544 O HIS A 203 -10.197 -13.203 -37.782 1.00 0.00 O ATOM 545 CB HIS A 203 -12.204 -10.496 -37.484 1.00 0.00 C ATOM 546 CG HIS A 203 -11.955 -10.591 -38.971 1.00 0.00 C ATOM 547 ND1 HIS A 203 -12.842 -11.063 -39.916 1.00 0.00 N ATOM 548 CD2 HIS A 203 -10.752 -10.406 -39.608 1.00 0.00 C ATOM 549 CE1 HIS A 203 -12.182 -11.193 -41.081 1.00 0.00 C ATOM 550 NE2 HIS A 203 -10.900 -10.821 -40.937 1.00 0.00 N ATOM 0 H HIS A 203 -12.511 -10.880 -35.024 1.00 0.00 H new ATOM 0 HA HIS A 203 -12.559 -12.587 -37.243 1.00 0.00 H new ATOM 0 HB2 HIS A 203 -13.240 -10.210 -37.301 1.00 0.00 H new ATOM 0 HB3 HIS A 203 -11.577 -9.714 -37.055 1.00 0.00 H new ATOM 0 HD1 HIS A 203 -13.827 -11.276 -39.759 1.00 0.00 H new ATOM 0 HD2 HIS A 203 -9.851 -10.010 -39.162 1.00 0.00 H new ATOM 0 HE1 HIS A 203 -12.621 -11.547 -42.002 1.00 0.00 H new ATOM 558 N TYR A 204 -9.485 -11.609 -36.372 1.00 0.00 N ATOM 559 CA TYR A 204 -8.049 -11.887 -36.521 1.00 0.00 C ATOM 560 C TYR A 204 -7.574 -13.301 -36.101 1.00 0.00 C ATOM 561 O TYR A 204 -6.389 -13.605 -36.262 1.00 0.00 O ATOM 562 CB TYR A 204 -7.243 -10.803 -35.781 1.00 0.00 C ATOM 563 CG TYR A 204 -7.484 -9.363 -36.216 1.00 0.00 C ATOM 564 CD1 TYR A 204 -7.647 -9.036 -37.579 1.00 0.00 C ATOM 565 CD2 TYR A 204 -7.505 -8.336 -35.250 1.00 0.00 C ATOM 566 CE1 TYR A 204 -7.859 -7.702 -37.972 1.00 0.00 C ATOM 567 CE2 TYR A 204 -7.707 -6.997 -35.639 1.00 0.00 C ATOM 568 CZ TYR A 204 -7.882 -6.674 -37.002 1.00 0.00 C ATOM 569 OH TYR A 204 -8.039 -5.374 -37.367 1.00 0.00 O ATOM 0 H TYR A 204 -9.683 -10.862 -35.707 1.00 0.00 H new ATOM 0 HA TYR A 204 -7.864 -11.862 -37.595 1.00 0.00 H new ATOM 0 HB2 TYR A 204 -7.465 -10.880 -34.717 1.00 0.00 H new ATOM 0 HB3 TYR A 204 -6.182 -11.023 -35.902 1.00 0.00 H new ATOM 0 HD1 TYR A 204 -7.609 -9.815 -38.326 1.00 0.00 H new ATOM 0 HD2 TYR A 204 -7.366 -8.577 -34.207 1.00 0.00 H new ATOM 0 HE1 TYR A 204 -8.004 -7.463 -39.015 1.00 0.00 H new ATOM 0 HE2 TYR A 204 -7.728 -6.216 -34.893 1.00 0.00 H new ATOM 0 HH TYR A 204 -7.929 -5.291 -38.337 1.00 0.00 H new ATOM 579 N VAL A 205 -8.449 -14.174 -35.576 1.00 0.00 N ATOM 580 CA VAL A 205 -8.098 -15.545 -35.143 1.00 0.00 C ATOM 581 C VAL A 205 -9.060 -16.639 -35.642 1.00 0.00 C ATOM 582 O VAL A 205 -8.678 -17.811 -35.691 1.00 0.00 O ATOM 583 CB VAL A 205 -7.916 -15.573 -33.608 1.00 0.00 C ATOM 584 CG1 VAL A 205 -9.244 -15.554 -32.840 1.00 0.00 C ATOM 585 CG2 VAL A 205 -7.083 -16.768 -33.130 1.00 0.00 C ATOM 0 H VAL A 205 -9.434 -13.949 -35.437 1.00 0.00 H new ATOM 0 HA VAL A 205 -7.152 -15.797 -35.622 1.00 0.00 H new ATOM 0 HB VAL A 205 -7.375 -14.653 -33.386 1.00 0.00 H new ATOM 0 HG11 VAL A 205 -9.045 -15.575 -31.769 1.00 0.00 H new ATOM 0 HG12 VAL A 205 -9.795 -14.647 -33.089 1.00 0.00 H new ATOM 0 HG13 VAL A 205 -9.837 -16.426 -33.116 1.00 0.00 H new ATOM 0 HG21 VAL A 205 -6.989 -16.735 -32.045 1.00 0.00 H new ATOM 0 HG22 VAL A 205 -7.575 -17.695 -33.424 1.00 0.00 H new ATOM 0 HG23 VAL A 205 -6.092 -16.725 -33.582 1.00 0.00 H new ATOM 595 N GLY A 206 -10.290 -16.292 -36.039 1.00 0.00 N ATOM 596 CA GLY A 206 -11.290 -17.242 -36.542 1.00 0.00 C ATOM 597 C GLY A 206 -10.940 -17.848 -37.909 1.00 0.00 C ATOM 598 O GLY A 206 -10.269 -17.222 -38.734 1.00 0.00 O ATOM 0 H GLY A 206 -10.624 -15.328 -36.020 1.00 0.00 H new ATOM 0 HA2 GLY A 206 -11.408 -18.048 -35.818 1.00 0.00 H new ATOM 0 HA3 GLY A 206 -12.253 -16.736 -36.615 1.00 0.00 H new ATOM 602 N LYS A 207 -11.416 -19.074 -38.169 1.00 0.00 N ATOM 603 CA LYS A 207 -11.163 -19.839 -39.411 1.00 0.00 C ATOM 604 C LYS A 207 -11.485 -19.072 -40.701 1.00 0.00 C ATOM 605 O LYS A 207 -10.759 -19.209 -41.686 1.00 0.00 O ATOM 606 CB LYS A 207 -11.925 -21.177 -39.329 1.00 0.00 C ATOM 607 CG LYS A 207 -11.653 -22.166 -40.477 1.00 0.00 C ATOM 608 CD LYS A 207 -10.177 -22.592 -40.577 1.00 0.00 C ATOM 609 CE LYS A 207 -9.956 -23.669 -41.646 1.00 0.00 C ATOM 610 NZ LYS A 207 -10.568 -24.961 -41.268 1.00 0.00 N ATOM 0 H LYS A 207 -12.004 -19.580 -37.507 1.00 0.00 H new ATOM 0 HA LYS A 207 -10.090 -20.021 -39.474 1.00 0.00 H new ATOM 0 HB2 LYS A 207 -11.671 -21.662 -38.387 1.00 0.00 H new ATOM 0 HB3 LYS A 207 -12.994 -20.965 -39.301 1.00 0.00 H new ATOM 0 HG2 LYS A 207 -12.271 -23.053 -40.337 1.00 0.00 H new ATOM 0 HG3 LYS A 207 -11.957 -21.711 -41.419 1.00 0.00 H new ATOM 0 HD2 LYS A 207 -9.564 -21.721 -40.809 1.00 0.00 H new ATOM 0 HD3 LYS A 207 -9.843 -22.968 -39.610 1.00 0.00 H new ATOM 0 HE2 LYS A 207 -10.378 -23.332 -42.593 1.00 0.00 H new ATOM 0 HE3 LYS A 207 -8.887 -23.808 -41.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 207 -10.282 -25.693 -41.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 207 -10.250 -25.230 -40.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 207 -11.604 -24.869 -41.274 1.00 0.00 H new ATOM 624 N LYS A 208 -12.533 -18.239 -40.696 1.00 0.00 N ATOM 625 CA LYS A 208 -12.948 -17.412 -41.848 1.00 0.00 C ATOM 626 C LYS A 208 -11.819 -16.507 -42.359 1.00 0.00 C ATOM 627 O LYS A 208 -11.610 -16.428 -43.568 1.00 0.00 O ATOM 628 CB LYS A 208 -14.198 -16.584 -41.490 1.00 0.00 C ATOM 629 CG LYS A 208 -15.427 -17.407 -41.058 1.00 0.00 C ATOM 630 CD LYS A 208 -15.916 -18.396 -42.130 1.00 0.00 C ATOM 631 CE LYS A 208 -17.177 -19.151 -41.688 1.00 0.00 C ATOM 632 NZ LYS A 208 -18.354 -18.260 -41.596 1.00 0.00 N ATOM 0 H LYS A 208 -13.131 -18.115 -39.879 1.00 0.00 H new ATOM 0 HA LYS A 208 -13.195 -18.093 -42.663 1.00 0.00 H new ATOM 0 HB2 LYS A 208 -13.940 -15.896 -40.685 1.00 0.00 H new ATOM 0 HB3 LYS A 208 -14.472 -15.977 -42.353 1.00 0.00 H new ATOM 0 HG2 LYS A 208 -15.183 -17.960 -40.151 1.00 0.00 H new ATOM 0 HG3 LYS A 208 -16.240 -16.725 -40.807 1.00 0.00 H new ATOM 0 HD2 LYS A 208 -16.123 -17.855 -43.054 1.00 0.00 H new ATOM 0 HD3 LYS A 208 -15.124 -19.112 -42.350 1.00 0.00 H new ATOM 0 HE2 LYS A 208 -17.385 -19.954 -42.395 1.00 0.00 H new ATOM 0 HE3 LYS A 208 -16.999 -19.617 -40.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 208 -19.208 -18.829 -41.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 208 -18.223 -17.592 -40.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 208 -18.460 -17.732 -42.486 1.00 0.00 H new ATOM 646 N HIS A 209 -11.056 -15.883 -41.455 1.00 0.00 N ATOM 647 CA HIS A 209 -9.898 -15.044 -41.803 1.00 0.00 C ATOM 648 C HIS A 209 -8.798 -15.863 -42.481 1.00 0.00 C ATOM 649 O HIS A 209 -8.284 -15.460 -43.521 1.00 0.00 O ATOM 650 CB HIS A 209 -9.383 -14.344 -40.539 1.00 0.00 C ATOM 651 CG HIS A 209 -8.085 -13.581 -40.702 1.00 0.00 C ATOM 652 ND1 HIS A 209 -7.940 -12.321 -41.292 1.00 0.00 N ATOM 653 CD2 HIS A 209 -6.864 -13.995 -40.249 1.00 0.00 C ATOM 654 CE1 HIS A 209 -6.637 -12.014 -41.196 1.00 0.00 C ATOM 655 NE2 HIS A 209 -5.965 -13.001 -40.575 1.00 0.00 N ATOM 0 H HIS A 209 -11.224 -15.945 -40.451 1.00 0.00 H new ATOM 0 HA HIS A 209 -10.210 -14.287 -42.523 1.00 0.00 H new ATOM 0 HB2 HIS A 209 -10.150 -13.653 -40.189 1.00 0.00 H new ATOM 0 HB3 HIS A 209 -9.249 -15.093 -39.758 1.00 0.00 H new ATOM 0 HD2 HIS A 209 -6.646 -14.920 -39.736 1.00 0.00 H new ATOM 0 HE1 HIS A 209 -6.190 -11.103 -41.565 1.00 0.00 H new ATOM 0 HE2 HIS A 209 -4.964 -13.012 -40.379 1.00 0.00 H new ATOM 663 N ARG A 210 -8.475 -17.055 -41.951 1.00 0.00 N ATOM 664 CA ARG A 210 -7.473 -17.960 -42.549 1.00 0.00 C ATOM 665 C ARG A 210 -7.887 -18.356 -43.973 1.00 0.00 C ATOM 666 O ARG A 210 -7.088 -18.236 -44.903 1.00 0.00 O ATOM 667 CB ARG A 210 -7.242 -19.212 -41.676 1.00 0.00 C ATOM 668 CG ARG A 210 -6.452 -18.985 -40.374 1.00 0.00 C ATOM 669 CD ARG A 210 -7.211 -18.165 -39.319 1.00 0.00 C ATOM 670 NE ARG A 210 -6.556 -18.180 -37.999 1.00 0.00 N ATOM 671 CZ ARG A 210 -5.480 -17.505 -37.629 1.00 0.00 C ATOM 672 NH1 ARG A 210 -4.784 -16.764 -38.452 1.00 0.00 N ATOM 673 NH2 ARG A 210 -5.071 -17.565 -36.392 1.00 0.00 N ATOM 0 H ARG A 210 -8.899 -17.420 -41.098 1.00 0.00 H new ATOM 0 HA ARG A 210 -6.528 -17.420 -42.600 1.00 0.00 H new ATOM 0 HB2 ARG A 210 -8.212 -19.637 -41.420 1.00 0.00 H new ATOM 0 HB3 ARG A 210 -6.715 -19.956 -42.273 1.00 0.00 H new ATOM 0 HG2 ARG A 210 -6.189 -19.953 -39.947 1.00 0.00 H new ATOM 0 HG3 ARG A 210 -5.518 -18.477 -40.612 1.00 0.00 H new ATOM 0 HD2 ARG A 210 -7.300 -17.134 -39.663 1.00 0.00 H new ATOM 0 HD3 ARG A 210 -8.223 -18.557 -39.221 1.00 0.00 H new ATOM 0 HE ARG A 210 -6.980 -18.779 -37.290 1.00 0.00 H new ATOM 0 HH11 ARG A 210 -5.064 -16.687 -39.430 1.00 0.00 H new ATOM 0 HH12 ARG A 210 -3.961 -16.263 -38.116 1.00 0.00 H new ATOM 0 HH21 ARG A 210 -5.580 -18.131 -35.713 1.00 0.00 H new ATOM 0 HH22 ARG A 210 -4.242 -17.046 -36.103 1.00 0.00 H new ATOM 687 N LYS A 211 -9.147 -18.776 -44.152 1.00 0.00 N ATOM 688 CA LYS A 211 -9.730 -19.158 -45.451 1.00 0.00 C ATOM 689 C LYS A 211 -9.695 -18.012 -46.468 1.00 0.00 C ATOM 690 O LYS A 211 -9.135 -18.182 -47.552 1.00 0.00 O ATOM 691 CB LYS A 211 -11.173 -19.663 -45.245 1.00 0.00 C ATOM 692 CG LYS A 211 -11.262 -21.046 -44.573 1.00 0.00 C ATOM 693 CD LYS A 211 -10.788 -22.248 -45.413 1.00 0.00 C ATOM 694 CE LYS A 211 -11.765 -22.687 -46.514 1.00 0.00 C ATOM 695 NZ LYS A 211 -11.696 -21.832 -47.718 1.00 0.00 N ATOM 0 H LYS A 211 -9.808 -18.863 -43.380 1.00 0.00 H new ATOM 0 HA LYS A 211 -9.120 -19.960 -45.866 1.00 0.00 H new ATOM 0 HB2 LYS A 211 -11.717 -18.940 -44.638 1.00 0.00 H new ATOM 0 HB3 LYS A 211 -11.673 -19.707 -46.212 1.00 0.00 H new ATOM 0 HG2 LYS A 211 -10.675 -21.018 -43.655 1.00 0.00 H new ATOM 0 HG3 LYS A 211 -12.298 -21.219 -44.283 1.00 0.00 H new ATOM 0 HD2 LYS A 211 -9.832 -21.998 -45.873 1.00 0.00 H new ATOM 0 HD3 LYS A 211 -10.610 -23.092 -44.747 1.00 0.00 H new ATOM 0 HE2 LYS A 211 -11.550 -23.718 -46.794 1.00 0.00 H new ATOM 0 HE3 LYS A 211 -12.781 -22.669 -46.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 211 -11.821 -22.418 -48.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 211 -12.448 -21.115 -47.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 211 -10.770 -21.360 -47.756 1.00 0.00 H new ATOM 709 N GLN A 212 -10.261 -16.851 -46.134 1.00 0.00 N ATOM 710 CA GLN A 212 -10.299 -15.698 -47.045 1.00 0.00 C ATOM 711 C GLN A 212 -8.905 -15.127 -47.347 1.00 0.00 C ATOM 712 O GLN A 212 -8.649 -14.784 -48.500 1.00 0.00 O ATOM 713 CB GLN A 212 -11.256 -14.612 -46.522 1.00 0.00 C ATOM 714 CG GLN A 212 -12.706 -14.787 -47.013 1.00 0.00 C ATOM 715 CD GLN A 212 -13.371 -16.097 -46.590 1.00 0.00 C ATOM 716 OE1 GLN A 212 -13.213 -17.137 -47.216 1.00 0.00 O ATOM 717 NE2 GLN A 212 -14.159 -16.107 -45.535 1.00 0.00 N ATOM 0 H GLN A 212 -10.704 -16.680 -45.231 1.00 0.00 H new ATOM 0 HA GLN A 212 -10.687 -16.063 -47.996 1.00 0.00 H new ATOM 0 HB2 GLN A 212 -11.245 -14.623 -45.432 1.00 0.00 H new ATOM 0 HB3 GLN A 212 -10.890 -13.634 -46.835 1.00 0.00 H new ATOM 0 HG2 GLN A 212 -13.304 -13.955 -46.641 1.00 0.00 H new ATOM 0 HG3 GLN A 212 -12.716 -14.725 -48.101 1.00 0.00 H new ATOM 0 HE21 GLN A 212 -14.305 -15.251 -44.999 1.00 0.00 H new ATOM 0 HE22 GLN A 212 -14.624 -16.970 -45.254 1.00 0.00 H new ATOM 726 N GLU A 213 -7.988 -15.076 -46.375 1.00 0.00 N ATOM 727 CA GLU A 213 -6.607 -14.629 -46.601 1.00 0.00 C ATOM 728 C GLU A 213 -5.945 -15.493 -47.683 1.00 0.00 C ATOM 729 O GLU A 213 -5.452 -14.956 -48.675 1.00 0.00 O ATOM 730 CB GLU A 213 -5.825 -14.649 -45.274 1.00 0.00 C ATOM 731 CG GLU A 213 -4.332 -14.305 -45.394 1.00 0.00 C ATOM 732 CD GLU A 213 -3.447 -15.558 -45.485 1.00 0.00 C ATOM 733 OE1 GLU A 213 -3.255 -16.217 -44.435 1.00 0.00 O ATOM 734 OE2 GLU A 213 -2.943 -15.850 -46.595 1.00 0.00 O ATOM 0 H GLU A 213 -8.181 -15.343 -45.410 1.00 0.00 H new ATOM 0 HA GLU A 213 -6.606 -13.601 -46.963 1.00 0.00 H new ATOM 0 HB2 GLU A 213 -6.290 -13.944 -44.585 1.00 0.00 H new ATOM 0 HB3 GLU A 213 -5.919 -15.640 -44.829 1.00 0.00 H new ATOM 0 HG2 GLU A 213 -4.174 -13.687 -46.278 1.00 0.00 H new ATOM 0 HG3 GLU A 213 -4.028 -13.711 -44.532 1.00 0.00 H new ATOM 741 N THR A 214 -5.985 -16.824 -47.539 1.00 0.00 N ATOM 742 CA THR A 214 -5.433 -17.748 -48.543 1.00 0.00 C ATOM 743 C THR A 214 -6.122 -17.580 -49.901 1.00 0.00 C ATOM 744 O THR A 214 -5.433 -17.509 -50.919 1.00 0.00 O ATOM 745 CB THR A 214 -5.531 -19.209 -48.068 1.00 0.00 C ATOM 746 OG1 THR A 214 -4.805 -19.383 -46.867 1.00 0.00 O ATOM 747 CG2 THR A 214 -4.961 -20.215 -49.072 1.00 0.00 C ATOM 0 H THR A 214 -6.397 -17.290 -46.730 1.00 0.00 H new ATOM 0 HA THR A 214 -4.380 -17.497 -48.667 1.00 0.00 H new ATOM 0 HB THR A 214 -6.597 -19.399 -47.939 1.00 0.00 H new ATOM 0 HG1 THR A 214 -5.341 -19.063 -46.111 1.00 0.00 H new ATOM 0 HG21 THR A 214 -5.062 -21.224 -48.673 1.00 0.00 H new ATOM 0 HG22 THR A 214 -5.507 -20.140 -50.012 1.00 0.00 H new ATOM 0 HG23 THR A 214 -3.907 -19.998 -49.246 1.00 0.00 H new ATOM 755 N LYS A 215 -7.461 -17.478 -49.943 1.00 0.00 N ATOM 756 CA LYS A 215 -8.223 -17.304 -51.194 1.00 0.00 C ATOM 757 C LYS A 215 -7.849 -16.024 -51.946 1.00 0.00 C ATOM 758 O LYS A 215 -7.548 -16.091 -53.138 1.00 0.00 O ATOM 759 CB LYS A 215 -9.731 -17.346 -50.898 1.00 0.00 C ATOM 760 CG LYS A 215 -10.221 -18.779 -50.632 1.00 0.00 C ATOM 761 CD LYS A 215 -11.604 -18.828 -49.968 1.00 0.00 C ATOM 762 CE LYS A 215 -12.687 -18.097 -50.767 1.00 0.00 C ATOM 763 NZ LYS A 215 -13.989 -18.169 -50.072 1.00 0.00 N ATOM 0 H LYS A 215 -8.048 -17.514 -49.110 1.00 0.00 H new ATOM 0 HA LYS A 215 -7.959 -18.132 -51.852 1.00 0.00 H new ATOM 0 HB2 LYS A 215 -9.949 -16.721 -50.032 1.00 0.00 H new ATOM 0 HB3 LYS A 215 -10.279 -16.925 -51.741 1.00 0.00 H new ATOM 0 HG2 LYS A 215 -10.257 -19.325 -51.575 1.00 0.00 H new ATOM 0 HG3 LYS A 215 -9.500 -19.291 -49.995 1.00 0.00 H new ATOM 0 HD2 LYS A 215 -11.900 -19.869 -49.837 1.00 0.00 H new ATOM 0 HD3 LYS A 215 -11.537 -18.388 -48.973 1.00 0.00 H new ATOM 0 HE2 LYS A 215 -12.401 -17.054 -50.907 1.00 0.00 H new ATOM 0 HE3 LYS A 215 -12.774 -18.539 -51.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 215 -14.680 -17.570 -50.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 215 -14.325 -19.153 -50.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 215 -13.879 -17.835 -49.093 1.00 0.00 H new ATOM 777 N LEU A 216 -7.836 -14.867 -51.277 1.00 0.00 N ATOM 778 CA LEU A 216 -7.493 -13.586 -51.909 1.00 0.00 C ATOM 779 C LEU A 216 -6.008 -13.515 -52.305 1.00 0.00 C ATOM 780 O LEU A 216 -5.702 -13.026 -53.393 1.00 0.00 O ATOM 781 CB LEU A 216 -7.928 -12.402 -51.019 1.00 0.00 C ATOM 782 CG LEU A 216 -9.374 -11.935 -51.301 1.00 0.00 C ATOM 783 CD1 LEU A 216 -10.441 -12.978 -50.956 1.00 0.00 C ATOM 784 CD2 LEU A 216 -9.698 -10.663 -50.517 1.00 0.00 C ATOM 0 H LEU A 216 -8.062 -14.790 -50.285 1.00 0.00 H new ATOM 0 HA LEU A 216 -8.053 -13.513 -52.841 1.00 0.00 H new ATOM 0 HB2 LEU A 216 -7.843 -12.691 -49.972 1.00 0.00 H new ATOM 0 HB3 LEU A 216 -7.245 -11.567 -51.175 1.00 0.00 H new ATOM 0 HG LEU A 216 -9.406 -11.758 -52.376 1.00 0.00 H new ATOM 0 HD11 LEU A 216 -11.429 -12.576 -51.182 1.00 0.00 H new ATOM 0 HD12 LEU A 216 -10.273 -13.879 -51.545 1.00 0.00 H new ATOM 0 HD13 LEU A 216 -10.382 -13.222 -49.895 1.00 0.00 H new ATOM 0 HD21 LEU A 216 -10.721 -10.354 -50.732 1.00 0.00 H new ATOM 0 HD22 LEU A 216 -9.594 -10.857 -49.449 1.00 0.00 H new ATOM 0 HD23 LEU A 216 -9.010 -9.870 -50.810 1.00 0.00 H new ATOM 796 N LYS A 217 -5.086 -14.044 -51.487 1.00 0.00 N ATOM 797 CA LYS A 217 -3.648 -14.104 -51.825 1.00 0.00 C ATOM 798 C LYS A 217 -3.410 -14.978 -53.062 1.00 0.00 C ATOM 799 O LYS A 217 -2.693 -14.564 -53.973 1.00 0.00 O ATOM 800 CB LYS A 217 -2.839 -14.608 -50.615 1.00 0.00 C ATOM 801 CG LYS A 217 -2.735 -13.559 -49.490 1.00 0.00 C ATOM 802 CD LYS A 217 -1.666 -12.477 -49.724 1.00 0.00 C ATOM 803 CE LYS A 217 -0.227 -13.005 -49.650 1.00 0.00 C ATOM 804 NZ LYS A 217 0.108 -13.502 -48.297 1.00 0.00 N ATOM 0 H LYS A 217 -5.310 -14.442 -50.575 1.00 0.00 H new ATOM 0 HA LYS A 217 -3.305 -13.098 -52.068 1.00 0.00 H new ATOM 0 HB2 LYS A 217 -3.306 -15.511 -50.222 1.00 0.00 H new ATOM 0 HB3 LYS A 217 -1.837 -14.884 -50.943 1.00 0.00 H new ATOM 0 HG2 LYS A 217 -3.704 -13.075 -49.371 1.00 0.00 H new ATOM 0 HG3 LYS A 217 -2.517 -14.070 -48.552 1.00 0.00 H new ATOM 0 HD2 LYS A 217 -1.828 -12.025 -50.702 1.00 0.00 H new ATOM 0 HD3 LYS A 217 -1.792 -11.688 -48.983 1.00 0.00 H new ATOM 0 HE2 LYS A 217 -0.097 -13.809 -50.375 1.00 0.00 H new ATOM 0 HE3 LYS A 217 0.466 -12.211 -49.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 217 1.126 -13.707 -48.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 217 -0.136 -12.778 -47.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 217 -0.431 -14.370 -48.103 1.00 0.00 H new ATOM 818 N LEU A 218 -4.051 -16.149 -53.133 1.00 0.00 N ATOM 819 CA LEU A 218 -3.988 -17.057 -54.286 1.00 0.00 C ATOM 820 C LEU A 218 -4.578 -16.392 -55.542 1.00 0.00 C ATOM 821 O LEU A 218 -3.960 -16.431 -56.606 1.00 0.00 O ATOM 822 CB LEU A 218 -4.691 -18.374 -53.899 1.00 0.00 C ATOM 823 CG LEU A 218 -4.655 -19.481 -54.972 1.00 0.00 C ATOM 824 CD1 LEU A 218 -4.696 -20.857 -54.306 1.00 0.00 C ATOM 825 CD2 LEU A 218 -5.850 -19.417 -55.930 1.00 0.00 C ATOM 0 H LEU A 218 -4.639 -16.500 -52.377 1.00 0.00 H new ATOM 0 HA LEU A 218 -2.954 -17.287 -54.543 1.00 0.00 H new ATOM 0 HB2 LEU A 218 -4.231 -18.758 -52.989 1.00 0.00 H new ATOM 0 HB3 LEU A 218 -5.732 -18.155 -53.662 1.00 0.00 H new ATOM 0 HG LEU A 218 -3.734 -19.325 -55.534 1.00 0.00 H new ATOM 0 HD11 LEU A 218 -4.670 -21.633 -55.071 1.00 0.00 H new ATOM 0 HD12 LEU A 218 -3.835 -20.968 -53.647 1.00 0.00 H new ATOM 0 HD13 LEU A 218 -5.613 -20.952 -53.724 1.00 0.00 H new ATOM 0 HD21 LEU A 218 -5.772 -20.220 -56.663 1.00 0.00 H new ATOM 0 HD22 LEU A 218 -6.775 -19.530 -55.365 1.00 0.00 H new ATOM 0 HD23 LEU A 218 -5.854 -18.455 -56.443 1.00 0.00 H new ATOM 837 N MET A 219 -5.744 -15.745 -55.418 1.00 0.00 N ATOM 838 CA MET A 219 -6.398 -15.019 -56.515 1.00 0.00 C ATOM 839 C MET A 219 -5.494 -13.905 -57.070 1.00 0.00 C ATOM 840 O MET A 219 -5.359 -13.777 -58.286 1.00 0.00 O ATOM 841 CB MET A 219 -7.746 -14.466 -56.025 1.00 0.00 C ATOM 842 CG MET A 219 -8.544 -13.779 -57.138 1.00 0.00 C ATOM 843 SD MET A 219 -10.160 -13.160 -56.593 1.00 0.00 S ATOM 844 CE MET A 219 -10.737 -12.425 -58.148 1.00 0.00 C ATOM 0 H MET A 219 -6.266 -15.710 -54.543 1.00 0.00 H new ATOM 0 HA MET A 219 -6.580 -15.709 -57.339 1.00 0.00 H new ATOM 0 HB2 MET A 219 -8.338 -15.281 -55.609 1.00 0.00 H new ATOM 0 HB3 MET A 219 -7.570 -13.755 -55.218 1.00 0.00 H new ATOM 0 HG2 MET A 219 -7.960 -12.948 -57.533 1.00 0.00 H new ATOM 0 HG3 MET A 219 -8.691 -14.483 -57.957 1.00 0.00 H new ATOM 0 HE1 MET A 219 -11.726 -11.991 -58.001 1.00 0.00 H new ATOM 0 HE2 MET A 219 -10.042 -11.646 -58.462 1.00 0.00 H new ATOM 0 HE3 MET A 219 -10.790 -13.196 -58.917 1.00 0.00 H new ATOM 854 N ALA A 220 -4.842 -13.128 -56.196 1.00 0.00 N ATOM 855 CA ALA A 220 -3.905 -12.075 -56.591 1.00 0.00 C ATOM 856 C ALA A 220 -2.659 -12.653 -57.293 1.00 0.00 C ATOM 857 O ALA A 220 -2.262 -12.158 -58.350 1.00 0.00 O ATOM 858 CB ALA A 220 -3.529 -11.262 -55.345 1.00 0.00 C ATOM 0 H ALA A 220 -4.953 -13.215 -55.186 1.00 0.00 H new ATOM 0 HA ALA A 220 -4.384 -11.420 -57.319 1.00 0.00 H new ATOM 0 HB1 ALA A 220 -2.831 -10.473 -55.623 1.00 0.00 H new ATOM 0 HB2 ALA A 220 -4.427 -10.818 -54.916 1.00 0.00 H new ATOM 0 HB3 ALA A 220 -3.062 -11.918 -54.610 1.00 0.00 H new ATOM 864 N ARG A 221 -2.065 -13.725 -56.743 1.00 0.00 N ATOM 865 CA ARG A 221 -0.891 -14.428 -57.304 1.00 0.00 C ATOM 866 C ARG A 221 -1.133 -14.967 -58.722 1.00 0.00 C ATOM 867 O ARG A 221 -0.202 -14.999 -59.527 1.00 0.00 O ATOM 868 CB ARG A 221 -0.454 -15.517 -56.303 1.00 0.00 C ATOM 869 CG ARG A 221 0.812 -16.300 -56.699 1.00 0.00 C ATOM 870 CD ARG A 221 0.515 -17.613 -57.439 1.00 0.00 C ATOM 871 NE ARG A 221 -0.122 -18.609 -56.559 1.00 0.00 N ATOM 872 CZ ARG A 221 0.475 -19.578 -55.884 1.00 0.00 C ATOM 873 NH1 ARG A 221 1.768 -19.776 -55.914 1.00 0.00 N ATOM 874 NH2 ARG A 221 -0.229 -20.382 -55.132 1.00 0.00 N ATOM 0 H ARG A 221 -2.395 -14.141 -55.872 1.00 0.00 H new ATOM 0 HA ARG A 221 -0.075 -13.717 -57.433 1.00 0.00 H new ATOM 0 HB2 ARG A 221 -0.285 -15.050 -55.333 1.00 0.00 H new ATOM 0 HB3 ARG A 221 -1.275 -16.223 -56.178 1.00 0.00 H new ATOM 0 HG2 ARG A 221 1.437 -15.669 -57.332 1.00 0.00 H new ATOM 0 HG3 ARG A 221 1.389 -16.521 -55.801 1.00 0.00 H new ATOM 0 HD2 ARG A 221 -0.136 -17.411 -58.289 1.00 0.00 H new ATOM 0 HD3 ARG A 221 1.443 -18.022 -57.838 1.00 0.00 H new ATOM 0 HE ARG A 221 -1.135 -18.544 -56.459 1.00 0.00 H new ATOM 0 HH11 ARG A 221 2.364 -19.169 -56.476 1.00 0.00 H new ATOM 0 HH12 ARG A 221 2.180 -20.538 -55.375 1.00 0.00 H new ATOM 0 HH21 ARG A 221 -1.240 -20.263 -55.065 1.00 0.00 H new ATOM 0 HH22 ARG A 221 0.232 -21.129 -54.612 1.00 0.00 H new ATOM 888 N TYR A 222 -2.374 -15.344 -59.041 1.00 0.00 N ATOM 889 CA TYR A 222 -2.802 -15.839 -60.359 1.00 0.00 C ATOM 890 C TYR A 222 -3.602 -14.794 -61.176 1.00 0.00 C ATOM 891 O TYR A 222 -4.248 -15.142 -62.170 1.00 0.00 O ATOM 892 CB TYR A 222 -3.571 -17.162 -60.184 1.00 0.00 C ATOM 893 CG TYR A 222 -2.737 -18.346 -59.719 1.00 0.00 C ATOM 894 CD1 TYR A 222 -1.619 -18.764 -60.470 1.00 0.00 C ATOM 895 CD2 TYR A 222 -3.123 -19.078 -58.579 1.00 0.00 C ATOM 896 CE1 TYR A 222 -0.883 -19.899 -60.077 1.00 0.00 C ATOM 897 CE2 TYR A 222 -2.400 -20.223 -58.192 1.00 0.00 C ATOM 898 CZ TYR A 222 -1.275 -20.634 -58.938 1.00 0.00 C ATOM 899 OH TYR A 222 -0.580 -21.741 -58.556 1.00 0.00 O ATOM 0 H TYR A 222 -3.139 -15.313 -58.366 1.00 0.00 H new ATOM 0 HA TYR A 222 -1.908 -16.027 -60.953 1.00 0.00 H new ATOM 0 HB2 TYR A 222 -4.376 -17.002 -59.466 1.00 0.00 H new ATOM 0 HB3 TYR A 222 -4.038 -17.419 -61.135 1.00 0.00 H new ATOM 0 HD1 TYR A 222 -1.326 -18.211 -61.350 1.00 0.00 H new ATOM 0 HD2 TYR A 222 -3.977 -18.760 -57.999 1.00 0.00 H new ATOM 0 HE1 TYR A 222 -0.019 -20.207 -60.647 1.00 0.00 H new ATOM 0 HE2 TYR A 222 -2.707 -20.787 -57.324 1.00 0.00 H new ATOM 0 HH TYR A 222 -0.988 -22.122 -57.751 1.00 0.00 H new ATOM 909 N GLY A 223 -3.563 -13.511 -60.789 1.00 0.00 N ATOM 910 CA GLY A 223 -4.239 -12.417 -61.500 1.00 0.00 C ATOM 911 C GLY A 223 -3.655 -12.144 -62.896 1.00 0.00 C ATOM 912 O GLY A 223 -2.575 -12.637 -63.241 1.00 0.00 O ATOM 0 H GLY A 223 -3.054 -13.200 -59.962 1.00 0.00 H new ATOM 0 HA2 GLY A 223 -5.298 -12.656 -61.598 1.00 0.00 H new ATOM 0 HA3 GLY A 223 -4.172 -11.508 -60.902 1.00 0.00 H new ATOM 916 N ARG A 224 -4.361 -11.340 -63.705 1.00 0.00 N ATOM 917 CA ARG A 224 -3.982 -10.963 -65.085 1.00 0.00 C ATOM 918 C ARG A 224 -2.559 -10.386 -65.143 1.00 0.00 C ATOM 919 O ARG A 224 -2.332 -9.247 -64.732 1.00 0.00 O ATOM 920 CB ARG A 224 -5.006 -9.976 -65.685 1.00 0.00 C ATOM 921 CG ARG A 224 -6.356 -10.590 -66.109 1.00 0.00 C ATOM 922 CD ARG A 224 -7.219 -11.182 -64.985 1.00 0.00 C ATOM 923 NE ARG A 224 -7.493 -10.199 -63.918 1.00 0.00 N ATOM 924 CZ ARG A 224 -8.156 -10.426 -62.795 1.00 0.00 C ATOM 925 NH1 ARG A 224 -8.632 -11.602 -62.481 1.00 0.00 N ATOM 926 NH2 ARG A 224 -8.350 -9.457 -61.944 1.00 0.00 N ATOM 0 H ARG A 224 -5.242 -10.918 -63.412 1.00 0.00 H new ATOM 0 HA ARG A 224 -3.990 -11.870 -65.689 1.00 0.00 H new ATOM 0 HB2 ARG A 224 -5.198 -9.191 -64.954 1.00 0.00 H new ATOM 0 HB3 ARG A 224 -4.556 -9.498 -66.555 1.00 0.00 H new ATOM 0 HG2 ARG A 224 -6.937 -9.820 -66.617 1.00 0.00 H new ATOM 0 HG3 ARG A 224 -6.160 -11.375 -66.839 1.00 0.00 H new ATOM 0 HD2 ARG A 224 -8.162 -11.537 -65.401 1.00 0.00 H new ATOM 0 HD3 ARG A 224 -6.713 -12.048 -64.558 1.00 0.00 H new ATOM 0 HE ARG A 224 -7.137 -9.254 -64.060 1.00 0.00 H new ATOM 0 HH11 ARG A 224 -8.499 -12.392 -63.113 1.00 0.00 H new ATOM 0 HH12 ARG A 224 -9.137 -11.730 -61.604 1.00 0.00 H new ATOM 0 HH21 ARG A 224 -7.991 -8.523 -62.144 1.00 0.00 H new ATOM 0 HH22 ARG A 224 -8.861 -9.633 -61.079 1.00 0.00 H new ATOM 940 N LEU A 225 -1.608 -11.193 -65.631 1.00 0.00 N ATOM 941 CA LEU A 225 -0.167 -10.892 -65.738 1.00 0.00 C ATOM 942 C LEU A 225 0.457 -10.416 -64.397 1.00 0.00 C ATOM 943 O LEU A 225 1.431 -9.660 -64.374 1.00 0.00 O ATOM 944 CB LEU A 225 0.097 -9.946 -66.938 1.00 0.00 C ATOM 945 CG LEU A 225 -0.029 -10.575 -68.344 1.00 0.00 C ATOM 946 CD1 LEU A 225 -1.452 -10.986 -68.735 1.00 0.00 C ATOM 947 CD2 LEU A 225 0.453 -9.566 -69.389 1.00 0.00 C ATOM 0 H LEU A 225 -1.831 -12.124 -65.982 1.00 0.00 H new ATOM 0 HA LEU A 225 0.361 -11.822 -65.949 1.00 0.00 H new ATOM 0 HB2 LEU A 225 -0.598 -9.109 -66.874 1.00 0.00 H new ATOM 0 HB3 LEU A 225 1.101 -9.535 -66.835 1.00 0.00 H new ATOM 0 HG LEU A 225 0.576 -11.481 -68.312 1.00 0.00 H new ATOM 0 HD11 LEU A 225 -1.444 -11.417 -69.736 1.00 0.00 H new ATOM 0 HD12 LEU A 225 -1.826 -11.724 -68.025 1.00 0.00 H new ATOM 0 HD13 LEU A 225 -2.100 -10.110 -68.723 1.00 0.00 H new ATOM 0 HD21 LEU A 225 0.367 -10.003 -70.384 1.00 0.00 H new ATOM 0 HD22 LEU A 225 -0.159 -8.665 -69.334 1.00 0.00 H new ATOM 0 HD23 LEU A 225 1.494 -9.310 -69.194 1.00 0.00 H new ATOM 959 N ALA A 226 -0.101 -10.861 -63.264 1.00 0.00 N ATOM 960 CA ALA A 226 0.312 -10.506 -61.899 1.00 0.00 C ATOM 961 C ALA A 226 1.558 -11.264 -61.367 1.00 0.00 C ATOM 962 O ALA A 226 1.772 -11.337 -60.155 1.00 0.00 O ATOM 963 CB ALA A 226 -0.910 -10.696 -60.991 1.00 0.00 C ATOM 0 H ALA A 226 -0.889 -11.508 -63.274 1.00 0.00 H new ATOM 0 HA ALA A 226 0.646 -9.468 -61.906 1.00 0.00 H new ATOM 0 HB1 ALA A 226 -0.644 -10.442 -59.965 1.00 0.00 H new ATOM 0 HB2 ALA A 226 -1.718 -10.047 -61.328 1.00 0.00 H new ATOM 0 HB3 ALA A 226 -1.237 -11.735 -61.034 1.00 0.00 H new ATOM 969 N ASP A 227 2.387 -11.835 -62.249 1.00 0.00 N ATOM 970 CA ASP A 227 3.606 -12.604 -61.940 1.00 0.00 C ATOM 971 C ASP A 227 3.427 -13.605 -60.784 1.00 0.00 C ATOM 972 O ASP A 227 3.966 -14.719 -60.822 1.00 0.00 O ATOM 973 CB ASP A 227 4.768 -11.631 -61.680 1.00 0.00 C ATOM 974 CG ASP A 227 6.101 -12.356 -61.464 1.00 0.00 C ATOM 975 OD1 ASP A 227 6.695 -12.796 -62.477 1.00 0.00 O ATOM 976 OD2 ASP A 227 6.527 -12.471 -60.289 1.00 0.00 O ATOM 0 H ASP A 227 2.219 -11.771 -63.253 1.00 0.00 H new ATOM 0 HA ASP A 227 3.835 -13.221 -62.809 1.00 0.00 H new ATOM 0 HB2 ASP A 227 4.862 -10.948 -62.524 1.00 0.00 H new ATOM 0 HB3 ASP A 227 4.541 -11.025 -60.803 1.00 0.00 H new TER 981 ASP A 227 HETATM 982 ZN ZN A 301 -9.237 -10.963 -42.151 1.00 0.00 ZN