USER MOD reduce.3.24.130724 H: found=0, std=0, add=823, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 824 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 66 ASN : amide:sc= -1.08 K(o=-0.95,f=-0.28) USER MOD Set 1.2: A 85 SER OG : rot 72:sc= 0.13 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.421 X(o=-0.42,f=-0.45) USER MOD Single : A 17 CYS SG : rot -123:sc= 1.17 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ -152:sc= 1.24 (180deg=1.09) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 25 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 TYR OH : rot 31:sc= 0.808 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 HIS : no HD1:sc= -0.193 K(o=-0.19,f=-0.85) USER MOD Single : A 49 SER OG : rot -103:sc= 1.28 USER MOD Single : A 53 LYS NZ :NH3+ 149:sc= -0.248 (180deg=-0.958) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= -1.9 X(o=-1.9,f=-1.6) USER MOD Single : A 77 GLN : amide:sc= -0.104 X(o=-0.1,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 ASN : amide:sc=-0.00275 X(o=-0.0027,f=-0.0027) USER MOD Single : A 88 SER OG : rot 20:sc= 0.202 USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= -0.153 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 GLN : amide:sc= 0 K(o=0,f=-0.81) USER MOD Single : A 110 LYS NZ :NH3+ -152:sc= -0.142 (180deg=-0.659) USER MOD Single : A 114 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 104 N THR A 11 -10.327 -12.548 9.369 1.00 0.00 N ATOM 105 CA THR A 11 -10.038 -11.371 8.559 1.00 0.00 C ATOM 106 C THR A 11 -9.169 -10.379 9.323 1.00 0.00 C ATOM 107 O THR A 11 -9.316 -10.213 10.534 1.00 0.00 O ATOM 108 CB THR A 11 -11.332 -10.665 8.112 1.00 0.00 C ATOM 109 OG1 THR A 11 -11.025 -9.631 7.171 1.00 0.00 O ATOM 110 CG2 THR A 11 -12.065 -10.072 9.305 1.00 0.00 C ATOM 0 HA THR A 11 -9.500 -11.718 7.677 1.00 0.00 H new ATOM 0 HB THR A 11 -11.979 -11.404 7.640 1.00 0.00 H new ATOM 0 HG1 THR A 11 -11.853 -9.188 6.890 1.00 0.00 H new ATOM 0 HG21 THR A 11 -12.975 -9.579 8.964 1.00 0.00 H new ATOM 0 HG22 THR A 11 -12.323 -10.867 10.005 1.00 0.00 H new ATOM 0 HG23 THR A 11 -11.423 -9.345 9.802 1.00 0.00 H new ATOM 118 N PHE A 12 -8.263 -9.720 8.608 1.00 0.00 N ATOM 119 CA PHE A 12 -7.370 -8.743 9.219 1.00 0.00 C ATOM 120 C PHE A 12 -7.951 -7.336 9.116 1.00 0.00 C ATOM 121 O PHE A 12 -8.857 -7.083 8.324 1.00 0.00 O ATOM 122 CB PHE A 12 -5.995 -8.790 8.550 1.00 0.00 C ATOM 123 CG PHE A 12 -5.302 -10.115 8.693 1.00 0.00 C ATOM 124 CD1 PHE A 12 -5.539 -11.137 7.788 1.00 0.00 C ATOM 125 CD2 PHE A 12 -4.415 -10.339 9.734 1.00 0.00 C ATOM 126 CE1 PHE A 12 -4.904 -12.357 7.918 1.00 0.00 C ATOM 127 CE2 PHE A 12 -3.777 -11.557 9.869 1.00 0.00 C ATOM 128 CZ PHE A 12 -4.021 -12.567 8.959 1.00 0.00 C ATOM 0 H PHE A 12 -8.128 -9.845 7.605 1.00 0.00 H new ATOM 0 HA PHE A 12 -7.262 -8.996 10.274 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -6.108 -8.561 7.490 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -5.364 -8.011 8.979 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.228 -10.978 6.972 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -4.220 -9.552 10.448 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -5.098 -13.146 7.206 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -3.088 -11.719 10.685 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.522 -13.519 9.061 1.00 0.00 H new ATOM 138 N ASN A 13 -7.421 -6.423 9.924 1.00 0.00 N ATOM 139 CA ASN A 13 -7.887 -5.041 9.926 1.00 0.00 C ATOM 140 C ASN A 13 -6.816 -4.105 9.375 1.00 0.00 C ATOM 141 O ASN A 13 -5.928 -3.646 10.093 1.00 0.00 O ATOM 142 CB ASN A 13 -8.274 -4.613 11.343 1.00 0.00 C ATOM 143 CG ASN A 13 -8.126 -3.119 11.556 1.00 0.00 C ATOM 144 OD1 ASN A 13 -8.801 -2.319 10.908 1.00 0.00 O ATOM 145 ND2 ASN A 13 -7.241 -2.736 12.469 1.00 0.00 N ATOM 0 H ASN A 13 -6.669 -6.615 10.585 1.00 0.00 H new ATOM 0 HA ASN A 13 -8.765 -4.979 9.283 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -9.306 -4.905 11.539 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -7.651 -5.143 12.063 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -7.099 -1.744 12.657 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -6.703 -3.434 12.983 1.00 0.00 H new ATOM 152 N PRO A 14 -6.900 -3.814 8.068 1.00 0.00 N ATOM 153 CA PRO A 14 -5.947 -2.930 7.391 1.00 0.00 C ATOM 154 C PRO A 14 -6.097 -1.475 7.825 1.00 0.00 C ATOM 155 O PRO A 14 -7.091 -1.103 8.448 1.00 0.00 O ATOM 156 CB PRO A 14 -6.307 -3.086 5.912 1.00 0.00 C ATOM 157 CG PRO A 14 -7.739 -3.496 5.912 1.00 0.00 C ATOM 158 CD PRO A 14 -7.932 -4.326 7.151 1.00 0.00 C ATOM 0 HA PRO A 14 -4.914 -3.191 7.622 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.163 -2.152 5.369 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -5.680 -3.836 5.429 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -8.394 -2.625 5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -7.981 -4.069 5.017 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.933 -4.204 7.564 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.798 -5.389 6.948 1.00 0.00 H new ATOM 166 N ARG A 15 -5.104 -0.658 7.491 1.00 0.00 N ATOM 167 CA ARG A 15 -5.125 0.756 7.847 1.00 0.00 C ATOM 168 C ARG A 15 -5.115 1.631 6.597 1.00 0.00 C ATOM 169 O ARG A 15 -4.351 1.389 5.665 1.00 0.00 O ATOM 170 CB ARG A 15 -3.926 1.099 8.733 1.00 0.00 C ATOM 171 CG ARG A 15 -4.120 0.722 10.192 1.00 0.00 C ATOM 172 CD ARG A 15 -2.792 0.649 10.929 1.00 0.00 C ATOM 173 NE ARG A 15 -1.870 -0.297 10.305 1.00 0.00 N ATOM 174 CZ ARG A 15 -0.550 -0.233 10.436 1.00 0.00 C ATOM 175 NH1 ARG A 15 0.001 0.728 11.165 1.00 0.00 N ATOM 176 NH2 ARG A 15 0.222 -1.130 9.837 1.00 0.00 N ATOM 0 H ARG A 15 -4.275 -0.951 6.974 1.00 0.00 H new ATOM 0 HA ARG A 15 -6.044 0.952 8.400 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -3.043 0.588 8.349 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -3.730 2.169 8.666 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -4.766 1.455 10.676 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -4.626 -0.241 10.256 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -2.335 1.638 10.952 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -2.968 0.355 11.964 1.00 0.00 H new ATOM 0 HE ARG A 15 -2.262 -1.048 9.737 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -0.589 1.420 11.627 1.00 0.00 H new ATOM 0 HH12 ARG A 15 1.015 0.775 11.264 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -0.198 -1.870 9.275 1.00 0.00 H new ATOM 0 HH22 ARG A 15 1.236 -1.080 9.939 1.00 0.00 H new ATOM 190 N GLU A 16 -5.971 2.649 6.587 1.00 0.00 N ATOM 191 CA GLU A 16 -6.060 3.559 5.452 1.00 0.00 C ATOM 192 C GLU A 16 -5.238 4.821 5.699 1.00 0.00 C ATOM 193 O GLU A 16 -5.168 5.318 6.824 1.00 0.00 O ATOM 194 CB GLU A 16 -7.520 3.933 5.183 1.00 0.00 C ATOM 195 CG GLU A 16 -7.737 4.611 3.841 1.00 0.00 C ATOM 196 CD GLU A 16 -9.206 4.761 3.494 1.00 0.00 C ATOM 197 OE1 GLU A 16 -9.916 5.485 4.223 1.00 0.00 O ATOM 198 OE2 GLU A 16 -9.646 4.153 2.495 1.00 0.00 O ATOM 0 H GLU A 16 -6.611 2.863 7.351 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.656 3.048 4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.131 3.032 5.228 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.869 4.595 5.976 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -7.269 5.595 3.855 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.241 4.033 3.062 1.00 0.00 H new ATOM 205 N CYS A 17 -4.619 5.333 4.641 1.00 0.00 N ATOM 206 CA CYS A 17 -3.801 6.536 4.743 1.00 0.00 C ATOM 207 C CYS A 17 -4.066 7.475 3.570 1.00 0.00 C ATOM 208 O CYS A 17 -4.160 7.040 2.422 1.00 0.00 O ATOM 209 CB CYS A 17 -2.317 6.166 4.791 1.00 0.00 C ATOM 210 SG CYS A 17 -1.843 5.204 6.247 1.00 0.00 S ATOM 0 H CYS A 17 -4.668 4.934 3.703 1.00 0.00 H new ATOM 0 HA CYS A 17 -4.070 7.051 5.665 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -2.066 5.597 3.896 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -1.724 7.080 4.764 1.00 0.00 H new ATOM 0 HG CYS A 17 -0.893 5.821 6.884 1.00 0.00 H new ATOM 216 N LYS A 18 -4.186 8.764 3.867 1.00 0.00 N ATOM 217 CA LYS A 18 -4.440 9.766 2.838 1.00 0.00 C ATOM 218 C LYS A 18 -3.280 10.751 2.740 1.00 0.00 C ATOM 219 O LYS A 18 -3.225 11.738 3.475 1.00 0.00 O ATOM 220 CB LYS A 18 -5.738 10.519 3.141 1.00 0.00 C ATOM 221 CG LYS A 18 -6.982 9.819 2.621 1.00 0.00 C ATOM 222 CD LYS A 18 -8.236 10.324 3.314 1.00 0.00 C ATOM 223 CE LYS A 18 -8.449 9.636 4.654 1.00 0.00 C ATOM 224 NZ LYS A 18 -9.823 9.860 5.181 1.00 0.00 N ATOM 0 H LYS A 18 -4.111 9.140 4.812 1.00 0.00 H new ATOM 0 HA LYS A 18 -4.539 9.252 1.882 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.829 10.650 4.219 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -5.681 11.515 2.702 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -7.069 9.980 1.546 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -6.887 8.744 2.776 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -8.161 11.401 3.465 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -9.101 10.151 2.674 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.272 8.566 4.545 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -7.719 10.008 5.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.928 9.375 6.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -9.984 10.879 5.310 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -10.519 9.482 4.507 1.00 0.00 H new ATOM 238 N LEU A 19 -2.355 10.479 1.826 1.00 0.00 N ATOM 239 CA LEU A 19 -1.196 11.343 1.629 1.00 0.00 C ATOM 240 C LEU A 19 -1.573 12.587 0.832 1.00 0.00 C ATOM 241 O LEU A 19 -2.256 12.500 -0.189 1.00 0.00 O ATOM 242 CB LEU A 19 -0.083 10.580 0.909 1.00 0.00 C ATOM 243 CG LEU A 19 0.911 9.838 1.805 1.00 0.00 C ATOM 244 CD1 LEU A 19 0.369 8.468 2.182 1.00 0.00 C ATOM 245 CD2 LEU A 19 2.259 9.709 1.112 1.00 0.00 C ATOM 0 H LEU A 19 -2.385 9.667 1.210 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.837 11.657 2.609 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.543 9.858 0.234 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.472 11.285 0.291 1.00 0.00 H new ATOM 0 HG LEU A 19 1.049 10.415 2.719 1.00 0.00 H new ATOM 0 HD11 LEU A 19 1.089 7.955 2.819 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.572 8.584 2.719 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.201 7.882 1.278 1.00 0.00 H new ATOM 0 HD21 LEU A 19 2.954 9.179 1.763 1.00 0.00 H new ATOM 0 HD22 LEU A 19 2.138 9.154 0.182 1.00 0.00 H new ATOM 0 HD23 LEU A 19 2.652 10.702 0.894 1.00 0.00 H new ATOM 257 N SER A 20 -1.122 13.745 1.304 1.00 0.00 N ATOM 258 CA SER A 20 -1.414 15.008 0.636 1.00 0.00 C ATOM 259 C SER A 20 -0.139 15.820 0.428 1.00 0.00 C ATOM 260 O SER A 20 0.689 15.940 1.332 1.00 0.00 O ATOM 261 CB SER A 20 -2.422 15.820 1.451 1.00 0.00 C ATOM 262 OG SER A 20 -3.100 16.759 0.635 1.00 0.00 O ATOM 0 H SER A 20 -0.553 13.835 2.146 1.00 0.00 H new ATOM 0 HA SER A 20 -1.844 14.783 -0.340 1.00 0.00 H new ATOM 0 HB2 SER A 20 -3.144 15.148 1.915 1.00 0.00 H new ATOM 0 HB3 SER A 20 -1.907 16.340 2.258 1.00 0.00 H new ATOM 0 HG SER A 20 -3.740 17.264 1.179 1.00 0.00 H new ATOM 268 N LYS A 21 0.013 16.375 -0.769 1.00 0.00 N ATOM 269 CA LYS A 21 1.186 17.178 -1.098 1.00 0.00 C ATOM 270 C LYS A 21 0.839 18.255 -2.120 1.00 0.00 C ATOM 271 O LYS A 21 -0.226 18.218 -2.736 1.00 0.00 O ATOM 272 CB LYS A 21 2.304 16.285 -1.642 1.00 0.00 C ATOM 273 CG LYS A 21 2.014 15.720 -3.022 1.00 0.00 C ATOM 274 CD LYS A 21 3.221 14.993 -3.591 1.00 0.00 C ATOM 275 CE LYS A 21 3.078 14.764 -5.088 1.00 0.00 C ATOM 276 NZ LYS A 21 4.400 14.597 -5.752 1.00 0.00 N ATOM 0 H LYS A 21 -0.662 16.284 -1.529 1.00 0.00 H new ATOM 0 HA LYS A 21 1.529 17.665 -0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 21 3.230 16.859 -1.681 1.00 0.00 H new ATOM 0 HB3 LYS A 21 2.469 15.461 -0.948 1.00 0.00 H new ATOM 0 HG2 LYS A 21 1.168 15.034 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 21 1.725 16.528 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS A 21 4.123 15.573 -3.395 1.00 0.00 H new ATOM 0 HD3 LYS A 21 3.342 14.035 -3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 21 2.469 13.877 -5.263 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.551 15.606 -5.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 4.334 14.911 -6.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 5.113 15.168 -5.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 4.678 13.595 -5.725 1.00 0.00 H new ATOM 290 N GLN A 22 1.745 19.212 -2.296 1.00 0.00 N ATOM 291 CA GLN A 22 1.533 20.299 -3.244 1.00 0.00 C ATOM 292 C GLN A 22 2.085 19.937 -4.619 1.00 0.00 C ATOM 293 O GLN A 22 3.018 19.142 -4.733 1.00 0.00 O ATOM 294 CB GLN A 22 2.194 21.582 -2.738 1.00 0.00 C ATOM 295 CG GLN A 22 1.845 21.919 -1.297 1.00 0.00 C ATOM 296 CD GLN A 22 0.541 22.683 -1.177 1.00 0.00 C ATOM 297 OE1 GLN A 22 -0.534 22.145 -1.443 1.00 0.00 O ATOM 298 NE2 GLN A 22 0.630 23.945 -0.773 1.00 0.00 N ATOM 0 H GLN A 22 2.632 19.256 -1.795 1.00 0.00 H new ATOM 0 HA GLN A 22 0.459 20.464 -3.335 1.00 0.00 H new ATOM 0 HB2 GLN A 22 3.276 21.483 -2.827 1.00 0.00 H new ATOM 0 HB3 GLN A 22 1.896 22.412 -3.379 1.00 0.00 H new ATOM 0 HG2 GLN A 22 1.777 20.998 -0.718 1.00 0.00 H new ATOM 0 HG3 GLN A 22 2.650 22.510 -0.861 1.00 0.00 H new ATOM 0 HE21 GLN A 22 1.542 24.350 -0.563 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -0.214 24.509 -0.672 1.00 0.00 H new ATOM 307 N GLU A 23 1.502 20.525 -5.659 1.00 0.00 N ATOM 308 CA GLU A 23 1.936 20.262 -7.026 1.00 0.00 C ATOM 309 C GLU A 23 3.419 20.581 -7.197 1.00 0.00 C ATOM 310 O GLU A 23 3.851 21.712 -6.982 1.00 0.00 O ATOM 311 CB GLU A 23 1.109 21.087 -8.015 1.00 0.00 C ATOM 312 CG GLU A 23 1.200 22.585 -7.783 1.00 0.00 C ATOM 313 CD GLU A 23 0.350 23.379 -8.756 1.00 0.00 C ATOM 314 OE1 GLU A 23 -0.892 23.328 -8.636 1.00 0.00 O ATOM 315 OE2 GLU A 23 0.926 24.050 -9.638 1.00 0.00 O ATOM 0 H GLU A 23 0.729 21.186 -5.581 1.00 0.00 H new ATOM 0 HA GLU A 23 1.784 19.202 -7.231 1.00 0.00 H new ATOM 0 HB2 GLU A 23 1.442 20.864 -9.029 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.065 20.780 -7.948 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.886 22.811 -6.764 1.00 0.00 H new ATOM 0 HG3 GLU A 23 2.239 22.900 -7.873 1.00 0.00 H new ATOM 322 N GLY A 24 4.194 19.573 -7.586 1.00 0.00 N ATOM 323 CA GLY A 24 5.619 19.764 -7.778 1.00 0.00 C ATOM 324 C GLY A 24 6.441 19.191 -6.641 1.00 0.00 C ATOM 325 O GLY A 24 7.526 18.654 -6.861 1.00 0.00 O ATOM 0 H GLY A 24 3.860 18.627 -7.772 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.922 19.294 -8.714 1.00 0.00 H new ATOM 0 HA3 GLY A 24 5.830 20.829 -7.873 1.00 0.00 H new ATOM 329 N GLN A 25 5.922 19.305 -5.422 1.00 0.00 N ATOM 330 CA GLN A 25 6.617 18.795 -4.246 1.00 0.00 C ATOM 331 C GLN A 25 6.593 17.270 -4.219 1.00 0.00 C ATOM 332 O GLN A 25 5.823 16.639 -4.940 1.00 0.00 O ATOM 333 CB GLN A 25 5.980 19.350 -2.971 1.00 0.00 C ATOM 334 CG GLN A 25 6.839 19.163 -1.731 1.00 0.00 C ATOM 335 CD GLN A 25 6.610 20.244 -0.693 1.00 0.00 C ATOM 336 OE1 GLN A 25 5.475 20.505 -0.292 1.00 0.00 O ATOM 337 NE2 GLN A 25 7.689 20.880 -0.253 1.00 0.00 N ATOM 0 H GLN A 25 5.024 19.746 -5.224 1.00 0.00 H new ATOM 0 HA GLN A 25 7.655 19.123 -4.297 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.780 20.413 -3.108 1.00 0.00 H new ATOM 0 HB3 GLN A 25 5.018 18.862 -2.813 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.625 18.190 -1.289 1.00 0.00 H new ATOM 0 HG3 GLN A 25 7.890 19.158 -2.019 1.00 0.00 H new ATOM 0 HE21 GLN A 25 8.610 20.631 -0.613 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.597 21.618 0.445 1.00 0.00 H new ATOM 346 N ASN A 26 7.443 16.685 -3.381 1.00 0.00 N ATOM 347 CA ASN A 26 7.520 15.234 -3.260 1.00 0.00 C ATOM 348 C ASN A 26 6.797 14.753 -2.006 1.00 0.00 C ATOM 349 O ASN A 26 6.434 15.552 -1.141 1.00 0.00 O ATOM 350 CB ASN A 26 8.981 14.781 -3.224 1.00 0.00 C ATOM 351 CG ASN A 26 9.819 15.446 -4.299 1.00 0.00 C ATOM 352 OD1 ASN A 26 10.818 16.104 -4.005 1.00 0.00 O ATOM 353 ND2 ASN A 26 9.415 15.278 -5.553 1.00 0.00 N ATOM 0 H ASN A 26 8.088 17.194 -2.776 1.00 0.00 H new ATOM 0 HA ASN A 26 7.031 14.796 -4.130 1.00 0.00 H new ATOM 0 HB2 ASN A 26 9.405 15.007 -2.245 1.00 0.00 H new ATOM 0 HB3 ASN A 26 9.026 13.699 -3.349 1.00 0.00 H new ATOM 0 HD21 ASN A 26 9.939 15.702 -6.319 1.00 0.00 H new ATOM 0 HD22 ASN A 26 8.581 14.725 -5.750 1.00 0.00 H new ATOM 360 N TYR A 27 6.590 13.444 -1.913 1.00 0.00 N ATOM 361 CA TYR A 27 5.908 12.857 -0.766 1.00 0.00 C ATOM 362 C TYR A 27 6.905 12.477 0.324 1.00 0.00 C ATOM 363 O TYR A 27 6.623 12.611 1.514 1.00 0.00 O ATOM 364 CB TYR A 27 5.111 11.624 -1.196 1.00 0.00 C ATOM 365 CG TYR A 27 3.701 11.940 -1.642 1.00 0.00 C ATOM 366 CD1 TYR A 27 2.832 12.644 -0.818 1.00 0.00 C ATOM 367 CD2 TYR A 27 3.239 11.536 -2.888 1.00 0.00 C ATOM 368 CE1 TYR A 27 1.543 12.934 -1.221 1.00 0.00 C ATOM 369 CE2 TYR A 27 1.952 11.822 -3.300 1.00 0.00 C ATOM 370 CZ TYR A 27 1.107 12.521 -2.463 1.00 0.00 C ATOM 371 OH TYR A 27 -0.176 12.809 -2.868 1.00 0.00 O ATOM 0 H TYR A 27 6.885 12.769 -2.619 1.00 0.00 H new ATOM 0 HA TYR A 27 5.222 13.602 -0.363 1.00 0.00 H new ATOM 0 HB2 TYR A 27 5.638 11.127 -2.010 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.071 10.920 -0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 27 3.170 12.970 0.154 1.00 0.00 H new ATOM 0 HD2 TYR A 27 3.898 10.989 -3.546 1.00 0.00 H new ATOM 0 HE1 TYR A 27 0.880 13.481 -0.567 1.00 0.00 H new ATOM 0 HE2 TYR A 27 1.609 11.500 -4.272 1.00 0.00 H new ATOM 0 HH TYR A 27 -0.463 13.656 -2.467 1.00 0.00 H new ATOM 381 N GLY A 28 8.075 12.002 -0.092 1.00 0.00 N ATOM 382 CA GLY A 28 9.098 11.609 0.860 1.00 0.00 C ATOM 383 C GLY A 28 9.347 10.114 0.860 1.00 0.00 C ATOM 384 O GLY A 28 10.422 9.657 1.247 1.00 0.00 O ATOM 0 H GLY A 28 8.333 11.882 -1.072 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.027 12.129 0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 28 8.800 11.924 1.860 1.00 0.00 H new ATOM 388 N PHE A 29 8.350 9.350 0.426 1.00 0.00 N ATOM 389 CA PHE A 29 8.466 7.897 0.380 1.00 0.00 C ATOM 390 C PHE A 29 8.491 7.399 -1.062 1.00 0.00 C ATOM 391 O PHE A 29 7.903 8.012 -1.953 1.00 0.00 O ATOM 392 CB PHE A 29 7.304 7.248 1.135 1.00 0.00 C ATOM 393 CG PHE A 29 6.099 6.992 0.276 1.00 0.00 C ATOM 394 CD1 PHE A 29 5.259 8.032 -0.090 1.00 0.00 C ATOM 395 CD2 PHE A 29 5.805 5.712 -0.164 1.00 0.00 C ATOM 396 CE1 PHE A 29 4.149 7.800 -0.880 1.00 0.00 C ATOM 397 CE2 PHE A 29 4.697 5.474 -0.955 1.00 0.00 C ATOM 398 CZ PHE A 29 3.867 6.519 -1.313 1.00 0.00 C ATOM 0 H PHE A 29 7.454 9.712 0.101 1.00 0.00 H new ATOM 0 HA PHE A 29 9.404 7.617 0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.642 6.304 1.564 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.017 7.891 1.967 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.474 9.035 0.246 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.449 4.891 0.114 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.503 8.619 -1.158 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.480 4.472 -1.293 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.000 6.335 -1.930 1.00 0.00 H new ATOM 408 N PHE A 30 9.176 6.282 -1.284 1.00 0.00 N ATOM 409 CA PHE A 30 9.279 5.701 -2.618 1.00 0.00 C ATOM 410 C PHE A 30 8.962 4.209 -2.587 1.00 0.00 C ATOM 411 O PHE A 30 9.157 3.541 -1.570 1.00 0.00 O ATOM 412 CB PHE A 30 10.682 5.924 -3.187 1.00 0.00 C ATOM 413 CG PHE A 30 11.022 7.373 -3.393 1.00 0.00 C ATOM 414 CD1 PHE A 30 10.367 8.121 -4.357 1.00 0.00 C ATOM 415 CD2 PHE A 30 11.997 7.985 -2.622 1.00 0.00 C ATOM 416 CE1 PHE A 30 10.677 9.455 -4.549 1.00 0.00 C ATOM 417 CE2 PHE A 30 12.311 9.318 -2.809 1.00 0.00 C ATOM 418 CZ PHE A 30 11.651 10.053 -3.774 1.00 0.00 C ATOM 0 H PHE A 30 9.668 5.761 -0.558 1.00 0.00 H new ATOM 0 HA PHE A 30 8.551 6.196 -3.260 1.00 0.00 H new ATOM 0 HB2 PHE A 30 11.414 5.480 -2.512 1.00 0.00 H new ATOM 0 HB3 PHE A 30 10.767 5.400 -4.139 1.00 0.00 H new ATOM 0 HD1 PHE A 30 9.605 7.657 -4.966 1.00 0.00 H new ATOM 0 HD2 PHE A 30 12.517 7.414 -1.867 1.00 0.00 H new ATOM 0 HE1 PHE A 30 10.158 10.028 -5.303 1.00 0.00 H new ATOM 0 HE2 PHE A 30 13.072 9.784 -2.201 1.00 0.00 H new ATOM 0 HZ PHE A 30 11.896 11.094 -3.922 1.00 0.00 H new ATOM 428 N LEU A 31 8.472 3.691 -3.708 1.00 0.00 N ATOM 429 CA LEU A 31 8.127 2.277 -3.811 1.00 0.00 C ATOM 430 C LEU A 31 9.357 1.439 -4.146 1.00 0.00 C ATOM 431 O LEU A 31 9.892 1.519 -5.252 1.00 0.00 O ATOM 432 CB LEU A 31 7.050 2.072 -4.878 1.00 0.00 C ATOM 433 CG LEU A 31 5.643 2.547 -4.513 1.00 0.00 C ATOM 434 CD1 LEU A 31 4.836 2.842 -5.767 1.00 0.00 C ATOM 435 CD2 LEU A 31 4.936 1.509 -3.653 1.00 0.00 C ATOM 0 H LEU A 31 8.305 4.229 -4.558 1.00 0.00 H new ATOM 0 HA LEU A 31 7.741 1.951 -2.845 1.00 0.00 H new ATOM 0 HB2 LEU A 31 7.362 2.590 -5.785 1.00 0.00 H new ATOM 0 HB3 LEU A 31 7.002 1.010 -5.118 1.00 0.00 H new ATOM 0 HG LEU A 31 5.730 3.469 -3.938 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.838 3.179 -5.487 1.00 0.00 H new ATOM 0 HD12 LEU A 31 5.333 3.622 -6.344 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.758 1.938 -6.370 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.936 1.864 -3.403 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.861 0.571 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.504 1.348 -2.737 1.00 0.00 H new ATOM 447 N ARG A 32 9.798 0.636 -3.184 1.00 0.00 N ATOM 448 CA ARG A 32 10.964 -0.218 -3.377 1.00 0.00 C ATOM 449 C ARG A 32 10.559 -1.688 -3.429 1.00 0.00 C ATOM 450 O ARG A 32 9.833 -2.173 -2.560 1.00 0.00 O ATOM 451 CB ARG A 32 11.977 0.004 -2.251 1.00 0.00 C ATOM 452 CG ARG A 32 12.799 1.272 -2.412 1.00 0.00 C ATOM 453 CD ARG A 32 13.711 1.194 -3.627 1.00 0.00 C ATOM 454 NE ARG A 32 13.054 1.680 -4.837 1.00 0.00 N ATOM 455 CZ ARG A 32 12.814 2.964 -5.077 1.00 0.00 C ATOM 456 NH1 ARG A 32 13.175 3.886 -4.196 1.00 0.00 N ATOM 457 NH2 ARG A 32 12.211 3.329 -6.202 1.00 0.00 N ATOM 0 H ARG A 32 9.366 0.559 -2.263 1.00 0.00 H new ATOM 0 HA ARG A 32 11.424 0.048 -4.329 1.00 0.00 H new ATOM 0 HB2 ARG A 32 11.447 0.043 -1.299 1.00 0.00 H new ATOM 0 HB3 ARG A 32 12.650 -0.852 -2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 32 12.133 2.129 -2.510 1.00 0.00 H new ATOM 0 HG3 ARG A 32 13.398 1.435 -1.516 1.00 0.00 H new ATOM 0 HD2 ARG A 32 14.611 1.781 -3.443 1.00 0.00 H new ATOM 0 HD3 ARG A 32 14.028 0.162 -3.776 1.00 0.00 H new ATOM 0 HE ARG A 32 12.764 0.996 -5.536 1.00 0.00 H new ATOM 0 HH11 ARG A 32 13.639 3.610 -3.330 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.989 4.871 -4.384 1.00 0.00 H new ATOM 0 HH21 ARG A 32 11.932 2.623 -6.883 1.00 0.00 H new ATOM 0 HH22 ARG A 32 12.027 4.315 -6.385 1.00 0.00 H new ATOM 471 N ILE A 33 11.032 -2.391 -4.452 1.00 0.00 N ATOM 472 CA ILE A 33 10.720 -3.805 -4.617 1.00 0.00 C ATOM 473 C ILE A 33 11.854 -4.683 -4.098 1.00 0.00 C ATOM 474 O ILE A 33 13.027 -4.332 -4.219 1.00 0.00 O ATOM 475 CB ILE A 33 10.449 -4.154 -6.092 1.00 0.00 C ATOM 476 CG1 ILE A 33 11.671 -3.820 -6.950 1.00 0.00 C ATOM 477 CG2 ILE A 33 9.222 -3.409 -6.596 1.00 0.00 C ATOM 478 CD1 ILE A 33 11.657 -4.487 -8.308 1.00 0.00 C ATOM 0 H ILE A 33 11.633 -2.004 -5.180 1.00 0.00 H new ATOM 0 HA ILE A 33 9.819 -3.999 -4.035 1.00 0.00 H new ATOM 0 HB ILE A 33 10.256 -5.224 -6.167 1.00 0.00 H new ATOM 0 HG12 ILE A 33 11.725 -2.740 -7.085 1.00 0.00 H new ATOM 0 HG13 ILE A 33 12.573 -4.120 -6.416 1.00 0.00 H new ATOM 0 HG21 ILE A 33 9.044 -3.666 -7.640 1.00 0.00 H new ATOM 0 HG22 ILE A 33 8.354 -3.691 -5.999 1.00 0.00 H new ATOM 0 HG23 ILE A 33 9.388 -2.335 -6.510 1.00 0.00 H new ATOM 0 HD11 ILE A 33 12.553 -4.205 -8.861 1.00 0.00 H new ATOM 0 HD12 ILE A 33 11.634 -5.569 -8.182 1.00 0.00 H new ATOM 0 HD13 ILE A 33 10.774 -4.168 -8.861 1.00 0.00 H new ATOM 490 N GLU A 34 11.494 -5.826 -3.523 1.00 0.00 N ATOM 491 CA GLU A 34 12.483 -6.754 -2.987 1.00 0.00 C ATOM 492 C GLU A 34 12.374 -8.116 -3.665 1.00 0.00 C ATOM 493 O GLU A 34 11.306 -8.503 -4.141 1.00 0.00 O ATOM 494 CB GLU A 34 12.303 -6.909 -1.475 1.00 0.00 C ATOM 495 CG GLU A 34 13.532 -7.455 -0.768 1.00 0.00 C ATOM 496 CD GLU A 34 14.798 -6.705 -1.137 1.00 0.00 C ATOM 497 OE1 GLU A 34 15.423 -7.063 -2.157 1.00 0.00 O ATOM 498 OE2 GLU A 34 15.163 -5.762 -0.405 1.00 0.00 O ATOM 0 H GLU A 34 10.527 -6.131 -3.416 1.00 0.00 H new ATOM 0 HA GLU A 34 13.473 -6.345 -3.188 1.00 0.00 H new ATOM 0 HB2 GLU A 34 12.049 -5.939 -1.047 1.00 0.00 H new ATOM 0 HB3 GLU A 34 11.460 -7.573 -1.284 1.00 0.00 H new ATOM 0 HG2 GLU A 34 13.382 -7.398 0.310 1.00 0.00 H new ATOM 0 HG3 GLU A 34 13.652 -8.509 -1.018 1.00 0.00 H new ATOM 505 N LYS A 35 13.487 -8.841 -3.707 1.00 0.00 N ATOM 506 CA LYS A 35 13.519 -10.160 -4.326 1.00 0.00 C ATOM 507 C LYS A 35 12.900 -11.208 -3.406 1.00 0.00 C ATOM 508 O LYS A 35 13.198 -11.253 -2.213 1.00 0.00 O ATOM 509 CB LYS A 35 14.959 -10.552 -4.667 1.00 0.00 C ATOM 510 CG LYS A 35 15.093 -11.963 -5.212 1.00 0.00 C ATOM 511 CD LYS A 35 16.538 -12.431 -5.200 1.00 0.00 C ATOM 512 CE LYS A 35 16.992 -12.803 -3.796 1.00 0.00 C ATOM 513 NZ LYS A 35 18.200 -13.672 -3.816 1.00 0.00 N ATOM 0 H LYS A 35 14.380 -8.536 -3.319 1.00 0.00 H new ATOM 0 HA LYS A 35 12.934 -10.117 -5.244 1.00 0.00 H new ATOM 0 HB2 LYS A 35 15.354 -9.849 -5.401 1.00 0.00 H new ATOM 0 HB3 LYS A 35 15.574 -10.457 -3.772 1.00 0.00 H new ATOM 0 HG2 LYS A 35 14.484 -12.643 -4.616 1.00 0.00 H new ATOM 0 HG3 LYS A 35 14.707 -11.999 -6.231 1.00 0.00 H new ATOM 0 HD2 LYS A 35 16.648 -13.292 -5.859 1.00 0.00 H new ATOM 0 HD3 LYS A 35 17.180 -11.643 -5.594 1.00 0.00 H new ATOM 0 HE2 LYS A 35 17.207 -11.896 -3.231 1.00 0.00 H new ATOM 0 HE3 LYS A 35 16.183 -13.317 -3.277 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.478 -13.903 -2.841 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 17.988 -14.549 -4.333 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 18.980 -13.172 -4.288 1.00 0.00 H new ATOM 527 N ASP A 36 12.040 -12.049 -3.970 1.00 0.00 N ATOM 528 CA ASP A 36 11.381 -13.098 -3.200 1.00 0.00 C ATOM 529 C ASP A 36 10.491 -12.499 -2.116 1.00 0.00 C ATOM 530 O ASP A 36 10.505 -12.946 -0.968 1.00 0.00 O ATOM 531 CB ASP A 36 12.421 -14.026 -2.569 1.00 0.00 C ATOM 532 CG ASP A 36 12.802 -15.174 -3.483 1.00 0.00 C ATOM 533 OD1 ASP A 36 11.945 -15.607 -4.282 1.00 0.00 O ATOM 534 OD2 ASP A 36 13.958 -15.639 -3.400 1.00 0.00 O ATOM 0 H ASP A 36 11.783 -12.025 -4.957 1.00 0.00 H new ATOM 0 HA ASP A 36 10.755 -13.675 -3.880 1.00 0.00 H new ATOM 0 HB2 ASP A 36 13.313 -13.451 -2.321 1.00 0.00 H new ATOM 0 HB3 ASP A 36 12.028 -14.425 -1.634 1.00 0.00 H new ATOM 539 N THR A 37 9.716 -11.484 -2.487 1.00 0.00 N ATOM 540 CA THR A 37 8.821 -10.823 -1.546 1.00 0.00 C ATOM 541 C THR A 37 7.543 -10.360 -2.236 1.00 0.00 C ATOM 542 O THR A 37 7.577 -9.877 -3.368 1.00 0.00 O ATOM 543 CB THR A 37 9.501 -9.610 -0.882 1.00 0.00 C ATOM 544 OG1 THR A 37 10.702 -10.023 -0.220 1.00 0.00 O ATOM 545 CG2 THR A 37 8.566 -8.947 0.119 1.00 0.00 C ATOM 0 H THR A 37 9.691 -11.102 -3.433 1.00 0.00 H new ATOM 0 HA THR A 37 8.571 -11.556 -0.779 1.00 0.00 H new ATOM 0 HB THR A 37 9.746 -8.887 -1.660 1.00 0.00 H new ATOM 0 HG1 THR A 37 11.129 -9.246 0.198 1.00 0.00 H new ATOM 0 HG21 THR A 37 9.067 -8.093 0.575 1.00 0.00 H new ATOM 0 HG22 THR A 37 7.666 -8.608 -0.393 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.294 -9.664 0.893 1.00 0.00 H new ATOM 553 N ASP A 38 6.417 -10.510 -1.547 1.00 0.00 N ATOM 554 CA ASP A 38 5.127 -10.105 -2.093 1.00 0.00 C ATOM 555 C ASP A 38 4.720 -8.733 -1.567 1.00 0.00 C ATOM 556 O ASP A 38 5.032 -8.374 -0.432 1.00 0.00 O ATOM 557 CB ASP A 38 4.055 -11.138 -1.743 1.00 0.00 C ATOM 558 CG ASP A 38 3.953 -12.241 -2.778 1.00 0.00 C ATOM 559 OD1 ASP A 38 3.372 -11.993 -3.854 1.00 0.00 O ATOM 560 OD2 ASP A 38 4.454 -13.354 -2.510 1.00 0.00 O ATOM 0 H ASP A 38 6.372 -10.909 -0.609 1.00 0.00 H new ATOM 0 HA ASP A 38 5.222 -10.044 -3.177 1.00 0.00 H new ATOM 0 HB2 ASP A 38 4.281 -11.576 -0.771 1.00 0.00 H new ATOM 0 HB3 ASP A 38 3.090 -10.639 -1.652 1.00 0.00 H new ATOM 565 N GLY A 39 4.022 -7.968 -2.400 1.00 0.00 N ATOM 566 CA GLY A 39 3.585 -6.642 -2.001 1.00 0.00 C ATOM 567 C GLY A 39 4.634 -5.581 -2.268 1.00 0.00 C ATOM 568 O GLY A 39 5.732 -5.887 -2.735 1.00 0.00 O ATOM 0 H GLY A 39 3.751 -8.242 -3.344 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.671 -6.388 -2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.341 -6.648 -0.939 1.00 0.00 H new ATOM 572 N HIS A 40 4.297 -4.330 -1.973 1.00 0.00 N ATOM 573 CA HIS A 40 5.218 -3.219 -2.185 1.00 0.00 C ATOM 574 C HIS A 40 5.733 -2.679 -0.854 1.00 0.00 C ATOM 575 O HIS A 40 4.951 -2.280 0.010 1.00 0.00 O ATOM 576 CB HIS A 40 4.531 -2.102 -2.970 1.00 0.00 C ATOM 577 CG HIS A 40 4.497 -2.342 -4.448 1.00 0.00 C ATOM 578 ND1 HIS A 40 5.614 -2.247 -5.252 1.00 0.00 N ATOM 579 CD2 HIS A 40 3.474 -2.678 -5.268 1.00 0.00 C ATOM 580 CE1 HIS A 40 5.278 -2.512 -6.502 1.00 0.00 C ATOM 581 NE2 HIS A 40 3.985 -2.777 -6.538 1.00 0.00 N ATOM 0 H HIS A 40 3.393 -4.060 -1.586 1.00 0.00 H new ATOM 0 HA HIS A 40 6.067 -3.588 -2.761 1.00 0.00 H new ATOM 0 HB2 HIS A 40 3.510 -1.988 -2.605 1.00 0.00 H new ATOM 0 HB3 HIS A 40 5.047 -1.162 -2.775 1.00 0.00 H new ATOM 0 HD2 HIS A 40 2.446 -2.838 -4.977 1.00 0.00 H new ATOM 0 HE1 HIS A 40 5.947 -2.512 -7.350 1.00 0.00 H new ATOM 0 HE2 HIS A 40 3.452 -3.016 -7.374 1.00 0.00 H new ATOM 590 N LEU A 41 7.052 -2.669 -0.696 1.00 0.00 N ATOM 591 CA LEU A 41 7.672 -2.179 0.530 1.00 0.00 C ATOM 592 C LEU A 41 8.155 -0.742 0.359 1.00 0.00 C ATOM 593 O LEU A 41 8.805 -0.410 -0.632 1.00 0.00 O ATOM 594 CB LEU A 41 8.843 -3.079 0.929 1.00 0.00 C ATOM 595 CG LEU A 41 8.481 -4.500 1.359 1.00 0.00 C ATOM 596 CD1 LEU A 41 8.385 -5.417 0.150 1.00 0.00 C ATOM 597 CD2 LEU A 41 9.502 -5.033 2.354 1.00 0.00 C ATOM 0 H LEU A 41 7.713 -2.995 -1.402 1.00 0.00 H new ATOM 0 HA LEU A 41 6.922 -2.199 1.320 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.532 -3.140 0.086 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.381 -2.600 1.746 1.00 0.00 H new ATOM 0 HG LEU A 41 7.507 -4.473 1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 41 8.126 -6.424 0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 41 7.616 -5.047 -0.527 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.344 -5.439 -0.367 1.00 0.00 H new ATOM 0 HD21 LEU A 41 9.228 -6.046 2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 41 10.489 -5.044 1.892 1.00 0.00 H new ATOM 0 HD23 LEU A 41 9.521 -4.391 3.235 1.00 0.00 H new ATOM 609 N ILE A 42 7.834 0.104 1.332 1.00 0.00 N ATOM 610 CA ILE A 42 8.239 1.504 1.290 1.00 0.00 C ATOM 611 C ILE A 42 9.595 1.704 1.957 1.00 0.00 C ATOM 612 O ILE A 42 9.875 1.123 3.006 1.00 0.00 O ATOM 613 CB ILE A 42 7.201 2.410 1.979 1.00 0.00 C ATOM 614 CG1 ILE A 42 5.869 2.359 1.229 1.00 0.00 C ATOM 615 CG2 ILE A 42 7.716 3.840 2.058 1.00 0.00 C ATOM 616 CD1 ILE A 42 4.949 1.257 1.707 1.00 0.00 C ATOM 0 H ILE A 42 7.295 -0.155 2.158 1.00 0.00 H new ATOM 0 HA ILE A 42 8.310 1.781 0.238 1.00 0.00 H new ATOM 0 HB ILE A 42 7.039 2.046 2.993 1.00 0.00 H new ATOM 0 HG12 ILE A 42 5.362 3.318 1.339 1.00 0.00 H new ATOM 0 HG13 ILE A 42 6.065 2.222 0.166 1.00 0.00 H new ATOM 0 HG21 ILE A 42 6.972 4.468 2.547 1.00 0.00 H new ATOM 0 HG22 ILE A 42 8.643 3.862 2.631 1.00 0.00 H new ATOM 0 HG23 ILE A 42 7.903 4.215 1.052 1.00 0.00 H new ATOM 0 HD11 ILE A 42 4.024 1.280 1.131 1.00 0.00 H new ATOM 0 HD12 ILE A 42 5.437 0.292 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 42 4.723 1.404 2.763 1.00 0.00 H new ATOM 628 N ARG A 43 10.434 2.532 1.343 1.00 0.00 N ATOM 629 CA ARG A 43 11.762 2.810 1.877 1.00 0.00 C ATOM 630 C ARG A 43 12.195 4.235 1.542 1.00 0.00 C ATOM 631 O ARG A 43 11.669 4.853 0.617 1.00 0.00 O ATOM 632 CB ARG A 43 12.778 1.812 1.321 1.00 0.00 C ATOM 633 CG ARG A 43 13.932 1.526 2.268 1.00 0.00 C ATOM 634 CD ARG A 43 13.621 0.355 3.187 1.00 0.00 C ATOM 635 NE ARG A 43 13.753 -0.929 2.502 1.00 0.00 N ATOM 636 CZ ARG A 43 14.906 -1.574 2.367 1.00 0.00 C ATOM 637 NH1 ARG A 43 16.020 -1.059 2.867 1.00 0.00 N ATOM 638 NH2 ARG A 43 14.945 -2.738 1.730 1.00 0.00 N ATOM 0 H ARG A 43 10.218 3.022 0.475 1.00 0.00 H new ATOM 0 HA ARG A 43 11.719 2.707 2.961 1.00 0.00 H new ATOM 0 HB2 ARG A 43 12.268 0.877 1.091 1.00 0.00 H new ATOM 0 HB3 ARG A 43 13.176 2.197 0.382 1.00 0.00 H new ATOM 0 HG2 ARG A 43 14.832 1.309 1.692 1.00 0.00 H new ATOM 0 HG3 ARG A 43 14.142 2.413 2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 43 14.293 0.379 4.045 1.00 0.00 H new ATOM 0 HD3 ARG A 43 12.607 0.457 3.574 1.00 0.00 H new ATOM 0 HE ARG A 43 12.914 -1.353 2.106 1.00 0.00 H new ATOM 0 HH11 ARG A 43 15.993 -0.165 3.357 1.00 0.00 H new ATOM 0 HH12 ARG A 43 16.904 -1.557 2.762 1.00 0.00 H new ATOM 0 HH21 ARG A 43 14.089 -3.137 1.344 1.00 0.00 H new ATOM 0 HH22 ARG A 43 15.831 -3.233 1.626 1.00 0.00 H new ATOM 652 N VAL A 44 13.157 4.749 2.301 1.00 0.00 N ATOM 653 CA VAL A 44 13.662 6.100 2.085 1.00 0.00 C ATOM 654 C VAL A 44 12.656 7.144 2.554 1.00 0.00 C ATOM 655 O VAL A 44 12.281 8.043 1.800 1.00 0.00 O ATOM 656 CB VAL A 44 13.986 6.346 0.599 1.00 0.00 C ATOM 657 CG1 VAL A 44 14.820 7.608 0.437 1.00 0.00 C ATOM 658 CG2 VAL A 44 14.702 5.143 0.004 1.00 0.00 C ATOM 0 H VAL A 44 13.603 4.250 3.071 1.00 0.00 H new ATOM 0 HA VAL A 44 14.577 6.194 2.670 1.00 0.00 H new ATOM 0 HB VAL A 44 13.050 6.486 0.058 1.00 0.00 H new ATOM 0 HG11 VAL A 44 15.039 7.766 -0.619 1.00 0.00 H new ATOM 0 HG12 VAL A 44 14.266 8.463 0.824 1.00 0.00 H new ATOM 0 HG13 VAL A 44 15.753 7.501 0.989 1.00 0.00 H new ATOM 0 HG21 VAL A 44 14.923 5.334 -1.046 1.00 0.00 H new ATOM 0 HG22 VAL A 44 15.632 4.969 0.545 1.00 0.00 H new ATOM 0 HG23 VAL A 44 14.064 4.263 0.086 1.00 0.00 H new ATOM 668 N ILE A 45 12.223 7.020 3.804 1.00 0.00 N ATOM 669 CA ILE A 45 11.261 7.955 4.375 1.00 0.00 C ATOM 670 C ILE A 45 11.966 9.136 5.033 1.00 0.00 C ATOM 671 O ILE A 45 12.469 9.026 6.151 1.00 0.00 O ATOM 672 CB ILE A 45 10.356 7.268 5.415 1.00 0.00 C ATOM 673 CG1 ILE A 45 9.623 6.083 4.782 1.00 0.00 C ATOM 674 CG2 ILE A 45 9.363 8.264 5.994 1.00 0.00 C ATOM 675 CD1 ILE A 45 8.807 5.280 5.769 1.00 0.00 C ATOM 0 H ILE A 45 12.523 6.282 4.441 1.00 0.00 H new ATOM 0 HA ILE A 45 10.645 8.315 3.551 1.00 0.00 H new ATOM 0 HB ILE A 45 10.980 6.894 6.227 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.966 6.452 3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.352 5.427 4.307 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.731 7.763 6.727 1.00 0.00 H new ATOM 0 HG22 ILE A 45 9.904 9.078 6.477 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.742 8.666 5.193 1.00 0.00 H new ATOM 0 HD11 ILE A 45 8.316 4.457 5.250 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.462 4.881 6.544 1.00 0.00 H new ATOM 0 HD13 ILE A 45 8.054 5.922 6.226 1.00 0.00 H new ATOM 687 N GLU A 46 11.997 10.265 4.333 1.00 0.00 N ATOM 688 CA GLU A 46 12.640 11.467 4.850 1.00 0.00 C ATOM 689 C GLU A 46 11.933 11.964 6.108 1.00 0.00 C ATOM 690 O GLU A 46 10.720 11.814 6.250 1.00 0.00 O ATOM 691 CB GLU A 46 12.646 12.568 3.787 1.00 0.00 C ATOM 692 CG GLU A 46 13.804 13.542 3.925 1.00 0.00 C ATOM 693 CD GLU A 46 15.124 12.845 4.193 1.00 0.00 C ATOM 694 OE1 GLU A 46 15.723 12.318 3.232 1.00 0.00 O ATOM 695 OE2 GLU A 46 15.558 12.827 5.364 1.00 0.00 O ATOM 0 H GLU A 46 11.584 10.373 3.406 1.00 0.00 H new ATOM 0 HA GLU A 46 13.669 11.215 5.107 1.00 0.00 H new ATOM 0 HB2 GLU A 46 12.685 12.108 2.800 1.00 0.00 H new ATOM 0 HB3 GLU A 46 11.708 13.121 3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 46 13.888 14.132 3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 46 13.594 14.238 4.737 1.00 0.00 H new ATOM 702 N GLU A 47 12.701 12.555 7.017 1.00 0.00 N ATOM 703 CA GLU A 47 12.149 13.073 8.264 1.00 0.00 C ATOM 704 C GLU A 47 11.347 14.347 8.015 1.00 0.00 C ATOM 705 O GLU A 47 11.833 15.287 7.387 1.00 0.00 O ATOM 706 CB GLU A 47 13.269 13.349 9.268 1.00 0.00 C ATOM 707 CG GLU A 47 12.834 13.213 10.718 1.00 0.00 C ATOM 708 CD GLU A 47 13.986 12.877 11.644 1.00 0.00 C ATOM 709 OE1 GLU A 47 14.484 11.733 11.580 1.00 0.00 O ATOM 710 OE2 GLU A 47 14.390 13.756 12.433 1.00 0.00 O ATOM 0 H GLU A 47 13.707 12.687 6.914 1.00 0.00 H new ATOM 0 HA GLU A 47 11.480 12.318 8.677 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.093 12.661 9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 47 13.651 14.357 9.105 1.00 0.00 H new ATOM 0 HG2 GLU A 47 12.371 14.145 11.043 1.00 0.00 H new ATOM 0 HG3 GLU A 47 12.073 12.436 10.794 1.00 0.00 H new ATOM 717 N GLY A 48 10.115 14.371 8.514 1.00 0.00 N ATOM 718 CA GLY A 48 9.265 15.534 8.336 1.00 0.00 C ATOM 719 C GLY A 48 8.592 15.558 6.978 1.00 0.00 C ATOM 720 O GLY A 48 8.381 16.624 6.401 1.00 0.00 O ATOM 0 H GLY A 48 9.690 13.606 9.038 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.503 15.546 9.116 1.00 0.00 H new ATOM 0 HA3 GLY A 48 9.861 16.438 8.459 1.00 0.00 H new ATOM 724 N SER A 49 8.254 14.378 6.466 1.00 0.00 N ATOM 725 CA SER A 49 7.606 14.267 5.164 1.00 0.00 C ATOM 726 C SER A 49 6.120 13.963 5.322 1.00 0.00 C ATOM 727 O SER A 49 5.679 13.394 6.322 1.00 0.00 O ATOM 728 CB SER A 49 8.276 13.175 4.329 1.00 0.00 C ATOM 729 OG SER A 49 8.323 11.948 5.036 1.00 0.00 O ATOM 0 H SER A 49 8.418 13.486 6.933 1.00 0.00 H new ATOM 0 HA SER A 49 7.711 15.223 4.650 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.729 13.040 3.396 1.00 0.00 H new ATOM 0 HB3 SER A 49 9.287 13.484 4.064 1.00 0.00 H new ATOM 0 HG SER A 49 9.228 11.806 5.385 1.00 0.00 H new ATOM 735 N PRO A 50 5.327 14.350 4.312 1.00 0.00 N ATOM 736 CA PRO A 50 3.878 14.128 4.314 1.00 0.00 C ATOM 737 C PRO A 50 3.516 12.655 4.163 1.00 0.00 C ATOM 738 O PRO A 50 2.355 12.272 4.308 1.00 0.00 O ATOM 739 CB PRO A 50 3.396 14.924 3.098 1.00 0.00 C ATOM 740 CG PRO A 50 4.578 14.986 2.193 1.00 0.00 C ATOM 741 CD PRO A 50 5.784 15.032 3.090 1.00 0.00 C ATOM 0 HA PRO A 50 3.420 14.438 5.253 1.00 0.00 H new ATOM 0 HB2 PRO A 50 2.552 14.434 2.613 1.00 0.00 H new ATOM 0 HB3 PRO A 50 3.064 15.922 3.384 1.00 0.00 H new ATOM 0 HG2 PRO A 50 4.613 14.117 1.536 1.00 0.00 H new ATOM 0 HG3 PRO A 50 4.534 15.867 1.553 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.638 14.524 2.642 1.00 0.00 H new ATOM 0 HD3 PRO A 50 6.094 16.057 3.294 1.00 0.00 H new ATOM 749 N ALA A 51 4.517 11.831 3.870 1.00 0.00 N ATOM 750 CA ALA A 51 4.305 10.399 3.702 1.00 0.00 C ATOM 751 C ALA A 51 4.244 9.691 5.051 1.00 0.00 C ATOM 752 O ALA A 51 3.433 8.788 5.252 1.00 0.00 O ATOM 753 CB ALA A 51 5.405 9.800 2.838 1.00 0.00 C ATOM 0 H ALA A 51 5.484 12.131 3.744 1.00 0.00 H new ATOM 0 HA ALA A 51 3.347 10.255 3.202 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.234 8.730 2.721 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.399 10.278 1.858 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.372 9.963 3.315 1.00 0.00 H new ATOM 759 N GLU A 52 5.109 10.107 5.972 1.00 0.00 N ATOM 760 CA GLU A 52 5.153 9.510 7.302 1.00 0.00 C ATOM 761 C GLU A 52 3.992 10.004 8.159 1.00 0.00 C ATOM 762 O GLU A 52 3.409 9.245 8.934 1.00 0.00 O ATOM 763 CB GLU A 52 6.482 9.835 7.987 1.00 0.00 C ATOM 764 CG GLU A 52 6.679 9.112 9.309 1.00 0.00 C ATOM 765 CD GLU A 52 7.545 9.893 10.277 1.00 0.00 C ATOM 766 OE1 GLU A 52 8.785 9.762 10.203 1.00 0.00 O ATOM 767 OE2 GLU A 52 6.983 10.635 11.110 1.00 0.00 O ATOM 0 H GLU A 52 5.787 10.854 5.822 1.00 0.00 H new ATOM 0 HA GLU A 52 5.065 8.429 7.190 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.300 9.575 7.315 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.539 10.910 8.158 1.00 0.00 H new ATOM 0 HG2 GLU A 52 5.707 8.926 9.766 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.135 8.140 9.123 1.00 0.00 H new ATOM 774 N LYS A 53 3.661 11.283 8.016 1.00 0.00 N ATOM 775 CA LYS A 53 2.569 11.881 8.776 1.00 0.00 C ATOM 776 C LYS A 53 1.371 10.940 8.840 1.00 0.00 C ATOM 777 O LYS A 53 0.564 11.010 9.766 1.00 0.00 O ATOM 778 CB LYS A 53 2.152 13.212 8.146 1.00 0.00 C ATOM 779 CG LYS A 53 2.914 14.408 8.692 1.00 0.00 C ATOM 780 CD LYS A 53 2.192 15.039 9.870 1.00 0.00 C ATOM 781 CE LYS A 53 2.641 14.430 11.190 1.00 0.00 C ATOM 782 NZ LYS A 53 4.104 14.600 11.409 1.00 0.00 N ATOM 0 H LYS A 53 4.134 11.926 7.380 1.00 0.00 H new ATOM 0 HA LYS A 53 2.922 12.061 9.792 1.00 0.00 H new ATOM 0 HB2 LYS A 53 2.302 13.157 7.068 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.086 13.365 8.312 1.00 0.00 H new ATOM 0 HG2 LYS A 53 3.911 14.095 9.001 1.00 0.00 H new ATOM 0 HG3 LYS A 53 3.043 15.149 7.903 1.00 0.00 H new ATOM 0 HD2 LYS A 53 2.380 16.113 9.881 1.00 0.00 H new ATOM 0 HD3 LYS A 53 1.117 14.905 9.753 1.00 0.00 H new ATOM 0 HE2 LYS A 53 2.094 14.896 12.010 1.00 0.00 H new ATOM 0 HE3 LYS A 53 2.392 13.369 11.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 4.296 14.679 12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 4.611 13.777 11.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 4.429 15.463 10.928 1.00 0.00 H new ATOM 796 N ALA A 54 1.263 10.059 7.851 1.00 0.00 N ATOM 797 CA ALA A 54 0.165 9.101 7.797 1.00 0.00 C ATOM 798 C ALA A 54 0.546 7.791 8.478 1.00 0.00 C ATOM 799 O ALA A 54 0.069 6.722 8.101 1.00 0.00 O ATOM 800 CB ALA A 54 -0.244 8.848 6.354 1.00 0.00 C ATOM 0 H ALA A 54 1.922 9.989 7.076 1.00 0.00 H new ATOM 0 HA ALA A 54 -0.683 9.527 8.334 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.065 8.131 6.329 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.566 9.784 5.898 1.00 0.00 H new ATOM 0 HB3 ALA A 54 0.605 8.447 5.800 1.00 0.00 H new ATOM 806 N GLY A 55 1.410 7.882 9.485 1.00 0.00 N ATOM 807 CA GLY A 55 1.841 6.696 10.203 1.00 0.00 C ATOM 808 C GLY A 55 2.535 5.694 9.302 1.00 0.00 C ATOM 809 O GLY A 55 2.606 4.507 9.621 1.00 0.00 O ATOM 0 H GLY A 55 1.819 8.756 9.816 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.517 6.987 11.007 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.977 6.223 10.669 1.00 0.00 H new ATOM 813 N LEU A 56 3.047 6.171 8.173 1.00 0.00 N ATOM 814 CA LEU A 56 3.738 5.308 7.221 1.00 0.00 C ATOM 815 C LEU A 56 5.165 5.025 7.679 1.00 0.00 C ATOM 816 O LEU A 56 5.986 5.937 7.789 1.00 0.00 O ATOM 817 CB LEU A 56 3.754 5.954 5.835 1.00 0.00 C ATOM 818 CG LEU A 56 3.841 4.994 4.648 1.00 0.00 C ATOM 819 CD1 LEU A 56 2.561 4.182 4.524 1.00 0.00 C ATOM 820 CD2 LEU A 56 4.115 5.760 3.362 1.00 0.00 C ATOM 0 H LEU A 56 2.997 7.151 7.894 1.00 0.00 H new ATOM 0 HA LEU A 56 3.199 4.362 7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.851 6.554 5.726 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.600 6.639 5.785 1.00 0.00 H new ATOM 0 HG LEU A 56 4.669 4.306 4.821 1.00 0.00 H new ATOM 0 HD11 LEU A 56 2.641 3.504 3.674 1.00 0.00 H new ATOM 0 HD12 LEU A 56 2.407 3.604 5.435 1.00 0.00 H new ATOM 0 HD13 LEU A 56 1.717 4.855 4.374 1.00 0.00 H new ATOM 0 HD21 LEU A 56 4.174 5.061 2.528 1.00 0.00 H new ATOM 0 HD22 LEU A 56 3.309 6.471 3.183 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.059 6.297 3.453 1.00 0.00 H new ATOM 832 N LEU A 57 5.455 3.756 7.944 1.00 0.00 N ATOM 833 CA LEU A 57 6.785 3.352 8.389 1.00 0.00 C ATOM 834 C LEU A 57 7.455 2.454 7.353 1.00 0.00 C ATOM 835 O LEU A 57 6.788 1.863 6.504 1.00 0.00 O ATOM 836 CB LEU A 57 6.696 2.623 9.731 1.00 0.00 C ATOM 837 CG LEU A 57 6.784 3.503 10.979 1.00 0.00 C ATOM 838 CD1 LEU A 57 5.442 4.157 11.267 1.00 0.00 C ATOM 839 CD2 LEU A 57 7.249 2.685 12.175 1.00 0.00 C ATOM 0 H LEU A 57 4.788 2.989 7.859 1.00 0.00 H new ATOM 0 HA LEU A 57 7.390 4.251 8.511 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.754 2.075 9.763 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.496 1.884 9.774 1.00 0.00 H new ATOM 0 HG LEU A 57 7.515 4.290 10.795 1.00 0.00 H new ATOM 0 HD11 LEU A 57 5.524 4.779 12.158 1.00 0.00 H new ATOM 0 HD12 LEU A 57 5.149 4.775 10.419 1.00 0.00 H new ATOM 0 HD13 LEU A 57 4.689 3.386 11.431 1.00 0.00 H new ATOM 0 HD21 LEU A 57 7.306 3.326 13.054 1.00 0.00 H new ATOM 0 HD22 LEU A 57 6.541 1.877 12.361 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.233 2.265 11.968 1.00 0.00 H new ATOM 851 N ASP A 58 8.778 2.356 7.431 1.00 0.00 N ATOM 852 CA ASP A 58 9.539 1.527 6.503 1.00 0.00 C ATOM 853 C ASP A 58 9.257 0.047 6.740 1.00 0.00 C ATOM 854 O ASP A 58 9.390 -0.450 7.857 1.00 0.00 O ATOM 855 CB ASP A 58 11.036 1.804 6.649 1.00 0.00 C ATOM 856 CG ASP A 58 11.606 1.241 7.937 1.00 0.00 C ATOM 857 OD1 ASP A 58 11.015 1.496 9.007 1.00 0.00 O ATOM 858 OD2 ASP A 58 12.642 0.547 7.874 1.00 0.00 O ATOM 0 H ASP A 58 9.345 2.840 8.127 1.00 0.00 H new ATOM 0 HA ASP A 58 9.228 1.779 5.489 1.00 0.00 H new ATOM 0 HB2 ASP A 58 11.567 1.372 5.801 1.00 0.00 H new ATOM 0 HB3 ASP A 58 11.208 2.880 6.619 1.00 0.00 H new ATOM 863 N GLY A 59 8.865 -0.653 5.679 1.00 0.00 N ATOM 864 CA GLY A 59 8.569 -2.069 5.792 1.00 0.00 C ATOM 865 C GLY A 59 7.086 -2.362 5.686 1.00 0.00 C ATOM 866 O GLY A 59 6.643 -3.472 5.981 1.00 0.00 O ATOM 0 H GLY A 59 8.747 -0.264 4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 59 9.100 -2.611 5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 59 8.942 -2.440 6.747 1.00 0.00 H new ATOM 870 N ASP A 60 6.316 -1.364 5.267 1.00 0.00 N ATOM 871 CA ASP A 60 4.873 -1.519 5.123 1.00 0.00 C ATOM 872 C ASP A 60 4.519 -2.054 3.739 1.00 0.00 C ATOM 873 O ASP A 60 5.278 -1.885 2.785 1.00 0.00 O ATOM 874 CB ASP A 60 4.169 -0.183 5.363 1.00 0.00 C ATOM 875 CG ASP A 60 4.334 0.312 6.786 1.00 0.00 C ATOM 876 OD1 ASP A 60 4.467 -0.532 7.697 1.00 0.00 O ATOM 877 OD2 ASP A 60 4.331 1.544 6.990 1.00 0.00 O ATOM 0 H ASP A 60 6.667 -0.438 5.021 1.00 0.00 H new ATOM 0 HA ASP A 60 4.533 -2.239 5.868 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.566 0.562 4.674 1.00 0.00 H new ATOM 0 HB3 ASP A 60 3.108 -0.290 5.140 1.00 0.00 H new ATOM 882 N ARG A 61 3.363 -2.701 3.639 1.00 0.00 N ATOM 883 CA ARG A 61 2.909 -3.262 2.372 1.00 0.00 C ATOM 884 C ARG A 61 1.571 -2.658 1.957 1.00 0.00 C ATOM 885 O ARG A 61 0.604 -2.683 2.719 1.00 0.00 O ATOM 886 CB ARG A 61 2.783 -4.783 2.480 1.00 0.00 C ATOM 887 CG ARG A 61 4.066 -5.526 2.144 1.00 0.00 C ATOM 888 CD ARG A 61 5.062 -5.464 3.291 1.00 0.00 C ATOM 889 NE ARG A 61 6.113 -6.470 3.158 1.00 0.00 N ATOM 890 CZ ARG A 61 7.031 -6.701 4.090 1.00 0.00 C ATOM 891 NH1 ARG A 61 7.028 -6.002 5.216 1.00 0.00 N ATOM 892 NH2 ARG A 61 7.955 -7.633 3.895 1.00 0.00 N ATOM 0 H ARG A 61 2.724 -2.850 4.420 1.00 0.00 H new ATOM 0 HA ARG A 61 3.649 -3.018 1.610 1.00 0.00 H new ATOM 0 HB2 ARG A 61 2.478 -5.043 3.494 1.00 0.00 H new ATOM 0 HB3 ARG A 61 1.991 -5.122 1.812 1.00 0.00 H new ATOM 0 HG2 ARG A 61 3.836 -6.567 1.916 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.513 -5.095 1.248 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.512 -4.472 3.327 1.00 0.00 H new ATOM 0 HD3 ARG A 61 4.537 -5.610 4.235 1.00 0.00 H new ATOM 0 HE ARG A 61 6.144 -7.025 2.303 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.319 -5.284 5.369 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.734 -6.182 5.930 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.961 -8.172 3.029 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.660 -7.810 4.611 1.00 0.00 H new ATOM 906 N VAL A 62 1.522 -2.116 0.745 1.00 0.00 N ATOM 907 CA VAL A 62 0.303 -1.506 0.228 1.00 0.00 C ATOM 908 C VAL A 62 -0.554 -2.529 -0.508 1.00 0.00 C ATOM 909 O VAL A 62 -0.135 -3.094 -1.519 1.00 0.00 O ATOM 910 CB VAL A 62 0.620 -0.337 -0.724 1.00 0.00 C ATOM 911 CG1 VAL A 62 1.581 -0.783 -1.815 1.00 0.00 C ATOM 912 CG2 VAL A 62 -0.661 0.221 -1.326 1.00 0.00 C ATOM 0 H VAL A 62 2.313 -2.087 0.102 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.249 -1.125 1.087 1.00 0.00 H new ATOM 0 HB VAL A 62 1.101 0.456 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 62 1.793 0.056 -2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.509 -1.132 -1.362 1.00 0.00 H new ATOM 0 HG13 VAL A 62 1.130 -1.593 -2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -0.419 1.046 -1.996 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.172 -0.563 -1.885 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -1.311 0.580 -0.529 1.00 0.00 H new ATOM 922 N LEU A 63 -1.757 -2.764 0.005 1.00 0.00 N ATOM 923 CA LEU A 63 -2.675 -3.720 -0.604 1.00 0.00 C ATOM 924 C LEU A 63 -3.373 -3.109 -1.815 1.00 0.00 C ATOM 925 O LEU A 63 -3.245 -3.607 -2.933 1.00 0.00 O ATOM 926 CB LEU A 63 -3.715 -4.181 0.419 1.00 0.00 C ATOM 927 CG LEU A 63 -3.164 -4.788 1.710 1.00 0.00 C ATOM 928 CD1 LEU A 63 -4.116 -4.536 2.868 1.00 0.00 C ATOM 929 CD2 LEU A 63 -2.917 -6.280 1.534 1.00 0.00 C ATOM 0 H LEU A 63 -2.119 -2.306 0.841 1.00 0.00 H new ATOM 0 HA LEU A 63 -2.096 -4.581 -0.937 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -4.341 -3.328 0.681 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -4.362 -4.917 -0.057 1.00 0.00 H new ATOM 0 HG LEU A 63 -2.213 -4.307 1.938 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.707 -4.975 3.778 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -4.242 -3.462 3.008 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -5.083 -4.989 2.649 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -2.525 -6.696 2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.854 -6.777 1.281 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -2.195 -6.437 0.733 1.00 0.00 H new ATOM 941 N ARG A 64 -4.109 -2.027 -1.584 1.00 0.00 N ATOM 942 CA ARG A 64 -4.826 -1.347 -2.656 1.00 0.00 C ATOM 943 C ARG A 64 -4.368 0.102 -2.783 1.00 0.00 C ATOM 944 O ARG A 64 -4.193 0.798 -1.782 1.00 0.00 O ATOM 945 CB ARG A 64 -6.334 -1.396 -2.401 1.00 0.00 C ATOM 946 CG ARG A 64 -6.917 -2.799 -2.464 1.00 0.00 C ATOM 947 CD ARG A 64 -8.366 -2.779 -2.924 1.00 0.00 C ATOM 948 NE ARG A 64 -9.090 -3.975 -2.502 1.00 0.00 N ATOM 949 CZ ARG A 64 -10.220 -4.387 -3.066 1.00 0.00 C ATOM 950 NH1 ARG A 64 -10.752 -3.704 -4.070 1.00 0.00 N ATOM 951 NH2 ARG A 64 -10.820 -5.486 -2.626 1.00 0.00 N ATOM 0 H ARG A 64 -4.224 -1.602 -0.664 1.00 0.00 H new ATOM 0 HA ARG A 64 -4.605 -1.863 -3.591 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -6.542 -0.969 -1.420 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -6.839 -0.769 -3.136 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -6.326 -3.410 -3.146 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -6.852 -3.266 -1.481 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -8.862 -1.895 -2.523 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -8.400 -2.699 -4.010 1.00 0.00 H new ATOM 0 HE ARG A 64 -8.707 -4.524 -1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -10.294 -2.859 -4.412 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -11.620 -4.023 -4.501 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -10.414 -6.015 -1.854 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -11.688 -5.802 -3.060 1.00 0.00 H new ATOM 965 N ILE A 65 -4.175 0.550 -4.019 1.00 0.00 N ATOM 966 CA ILE A 65 -3.737 1.917 -4.276 1.00 0.00 C ATOM 967 C ILE A 65 -4.862 2.749 -4.882 1.00 0.00 C ATOM 968 O ILE A 65 -5.403 2.409 -5.933 1.00 0.00 O ATOM 969 CB ILE A 65 -2.522 1.951 -5.222 1.00 0.00 C ATOM 970 CG1 ILE A 65 -1.716 3.233 -5.006 1.00 0.00 C ATOM 971 CG2 ILE A 65 -2.975 1.840 -6.670 1.00 0.00 C ATOM 972 CD1 ILE A 65 -2.559 4.489 -5.038 1.00 0.00 C ATOM 0 H ILE A 65 -4.315 -0.013 -4.858 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.450 2.343 -3.314 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.880 1.099 -4.997 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -1.204 3.173 -4.046 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -0.946 3.302 -5.774 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -2.105 1.866 -7.326 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -3.510 0.901 -6.813 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -3.635 2.674 -6.910 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.922 5.359 -4.878 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -3.051 4.573 -6.007 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.313 4.442 -4.252 1.00 0.00 H new ATOM 984 N ASN A 66 -5.208 3.844 -4.211 1.00 0.00 N ATOM 985 CA ASN A 66 -6.268 4.726 -4.685 1.00 0.00 C ATOM 986 C ASN A 66 -7.510 3.928 -5.070 1.00 0.00 C ATOM 987 O ASN A 66 -8.311 4.366 -5.894 1.00 0.00 O ATOM 988 CB ASN A 66 -5.782 5.545 -5.883 1.00 0.00 C ATOM 989 CG ASN A 66 -6.576 6.824 -6.069 1.00 0.00 C ATOM 990 OD1 ASN A 66 -7.445 6.907 -6.937 1.00 0.00 O ATOM 991 ND2 ASN A 66 -6.279 7.828 -5.253 1.00 0.00 N ATOM 0 H ASN A 66 -4.770 4.141 -3.339 1.00 0.00 H new ATOM 0 HA ASN A 66 -6.531 5.404 -3.873 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -4.729 5.791 -5.748 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -5.855 4.940 -6.787 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -6.779 8.714 -5.331 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -5.551 7.714 -4.548 1.00 0.00 H new ATOM 998 N GLY A 67 -7.662 2.753 -4.466 1.00 0.00 N ATOM 999 CA GLY A 67 -8.808 1.912 -4.759 1.00 0.00 C ATOM 1000 C GLY A 67 -8.538 0.936 -5.887 1.00 0.00 C ATOM 1001 O GLY A 67 -9.396 0.713 -6.742 1.00 0.00 O ATOM 0 H GLY A 67 -7.013 2.369 -3.780 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.087 1.358 -3.863 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.658 2.541 -5.023 1.00 0.00 H new ATOM 1005 N VAL A 68 -7.343 0.355 -5.893 1.00 0.00 N ATOM 1006 CA VAL A 68 -6.962 -0.601 -6.925 1.00 0.00 C ATOM 1007 C VAL A 68 -5.971 -1.627 -6.386 1.00 0.00 C ATOM 1008 O VAL A 68 -4.859 -1.280 -5.986 1.00 0.00 O ATOM 1009 CB VAL A 68 -6.341 0.106 -8.144 1.00 0.00 C ATOM 1010 CG1 VAL A 68 -5.877 -0.912 -9.174 1.00 0.00 C ATOM 1011 CG2 VAL A 68 -7.334 1.082 -8.756 1.00 0.00 C ATOM 0 H VAL A 68 -6.621 0.530 -5.194 1.00 0.00 H new ATOM 0 HA VAL A 68 -7.874 -1.110 -7.236 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.470 0.670 -7.810 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -5.441 -0.393 -10.028 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.129 -1.567 -8.727 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.728 -1.507 -9.507 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.879 1.573 -9.616 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -8.225 0.542 -9.076 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -7.611 1.832 -8.015 1.00 0.00 H new ATOM 1021 N PHE A 69 -6.381 -2.891 -6.379 1.00 0.00 N ATOM 1022 CA PHE A 69 -5.529 -3.968 -5.888 1.00 0.00 C ATOM 1023 C PHE A 69 -4.222 -4.027 -6.673 1.00 0.00 C ATOM 1024 O PHE A 69 -4.202 -4.418 -7.840 1.00 0.00 O ATOM 1025 CB PHE A 69 -6.258 -5.309 -5.988 1.00 0.00 C ATOM 1026 CG PHE A 69 -5.741 -6.345 -5.032 1.00 0.00 C ATOM 1027 CD1 PHE A 69 -6.042 -6.274 -3.682 1.00 0.00 C ATOM 1028 CD2 PHE A 69 -4.952 -7.392 -5.484 1.00 0.00 C ATOM 1029 CE1 PHE A 69 -5.567 -7.226 -2.800 1.00 0.00 C ATOM 1030 CE2 PHE A 69 -4.474 -8.347 -4.607 1.00 0.00 C ATOM 1031 CZ PHE A 69 -4.782 -8.264 -3.263 1.00 0.00 C ATOM 0 H PHE A 69 -7.298 -3.195 -6.708 1.00 0.00 H new ATOM 0 HA PHE A 69 -5.296 -3.766 -4.842 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.320 -5.151 -5.800 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.167 -5.688 -7.006 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -6.655 -5.465 -3.314 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -4.708 -7.462 -6.534 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -5.809 -7.158 -1.750 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -3.860 -9.157 -4.972 1.00 0.00 H new ATOM 0 HZ PHE A 69 -4.410 -9.009 -2.576 1.00 0.00 H new ATOM 1041 N VAL A 70 -3.130 -3.636 -6.023 1.00 0.00 N ATOM 1042 CA VAL A 70 -1.818 -3.645 -6.658 1.00 0.00 C ATOM 1043 C VAL A 70 -0.872 -4.610 -5.953 1.00 0.00 C ATOM 1044 O VAL A 70 0.281 -4.278 -5.680 1.00 0.00 O ATOM 1045 CB VAL A 70 -1.188 -2.239 -6.665 1.00 0.00 C ATOM 1046 CG1 VAL A 70 -2.015 -1.287 -7.515 1.00 0.00 C ATOM 1047 CG2 VAL A 70 -1.046 -1.713 -5.244 1.00 0.00 C ATOM 0 H VAL A 70 -3.129 -3.309 -5.057 1.00 0.00 H new ATOM 0 HA VAL A 70 -1.967 -3.974 -7.687 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.193 -2.307 -7.104 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.554 -0.299 -7.508 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.060 -1.659 -8.539 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.024 -1.220 -7.109 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -0.599 -0.719 -5.267 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -2.029 -1.658 -4.776 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -0.408 -2.384 -4.670 1.00 0.00 H new ATOM 1057 N ASP A 71 -1.368 -5.808 -5.661 1.00 0.00 N ATOM 1058 CA ASP A 71 -0.567 -6.824 -4.989 1.00 0.00 C ATOM 1059 C ASP A 71 0.365 -7.522 -5.975 1.00 0.00 C ATOM 1060 O ASP A 71 1.538 -7.753 -5.680 1.00 0.00 O ATOM 1061 CB ASP A 71 -1.473 -7.852 -4.310 1.00 0.00 C ATOM 1062 CG ASP A 71 -0.733 -8.692 -3.288 1.00 0.00 C ATOM 1063 OD1 ASP A 71 0.505 -8.807 -3.401 1.00 0.00 O ATOM 1064 OD2 ASP A 71 -1.391 -9.234 -2.375 1.00 0.00 O ATOM 0 H ASP A 71 -2.321 -6.099 -5.879 1.00 0.00 H new ATOM 0 HA ASP A 71 0.040 -6.329 -4.231 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -2.300 -7.336 -3.822 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -1.907 -8.505 -5.067 1.00 0.00 H new ATOM 1069 N LYS A 72 -0.164 -7.856 -7.147 1.00 0.00 N ATOM 1070 CA LYS A 72 0.619 -8.527 -8.177 1.00 0.00 C ATOM 1071 C LYS A 72 1.097 -7.533 -9.231 1.00 0.00 C ATOM 1072 O LYS A 72 2.091 -7.772 -9.915 1.00 0.00 O ATOM 1073 CB LYS A 72 -0.211 -9.629 -8.840 1.00 0.00 C ATOM 1074 CG LYS A 72 -0.171 -10.952 -8.094 1.00 0.00 C ATOM 1075 CD LYS A 72 1.163 -11.656 -8.279 1.00 0.00 C ATOM 1076 CE LYS A 72 1.227 -12.947 -7.476 1.00 0.00 C ATOM 1077 NZ LYS A 72 0.603 -14.085 -8.206 1.00 0.00 N ATOM 0 H LYS A 72 -1.133 -7.673 -7.407 1.00 0.00 H new ATOM 0 HA LYS A 72 1.492 -8.974 -7.701 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -1.246 -9.296 -8.917 1.00 0.00 H new ATOM 0 HB3 LYS A 72 0.151 -9.783 -9.856 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -0.347 -10.778 -7.033 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -0.976 -11.596 -8.449 1.00 0.00 H new ATOM 0 HD2 LYS A 72 1.317 -11.875 -9.336 1.00 0.00 H new ATOM 0 HD3 LYS A 72 1.971 -10.993 -7.970 1.00 0.00 H new ATOM 0 HE2 LYS A 72 2.267 -13.185 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 72 0.720 -12.806 -6.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 0.667 -14.946 -7.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -0.396 -13.869 -8.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 1.102 -14.236 -9.106 1.00 0.00 H new ATOM 1091 N GLU A 73 0.383 -6.418 -9.354 1.00 0.00 N ATOM 1092 CA GLU A 73 0.737 -5.388 -10.324 1.00 0.00 C ATOM 1093 C GLU A 73 2.208 -5.002 -10.195 1.00 0.00 C ATOM 1094 O GLU A 73 2.853 -5.302 -9.192 1.00 0.00 O ATOM 1095 CB GLU A 73 -0.145 -4.153 -10.133 1.00 0.00 C ATOM 1096 CG GLU A 73 -1.597 -4.375 -10.522 1.00 0.00 C ATOM 1097 CD GLU A 73 -1.820 -4.288 -12.020 1.00 0.00 C ATOM 1098 OE1 GLU A 73 -1.633 -5.313 -12.708 1.00 0.00 O ATOM 1099 OE2 GLU A 73 -2.181 -3.194 -12.502 1.00 0.00 O ATOM 0 H GLU A 73 -0.443 -6.205 -8.795 1.00 0.00 H new ATOM 0 HA GLU A 73 0.572 -5.792 -11.323 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -0.101 -3.844 -9.089 1.00 0.00 H new ATOM 0 HB3 GLU A 73 0.260 -3.333 -10.726 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -1.919 -5.354 -10.167 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -2.221 -3.634 -10.022 1.00 0.00 H new ATOM 1106 N GLU A 74 2.730 -4.335 -11.220 1.00 0.00 N ATOM 1107 CA GLU A 74 4.124 -3.909 -11.222 1.00 0.00 C ATOM 1108 C GLU A 74 4.248 -2.448 -10.800 1.00 0.00 C ATOM 1109 O GLU A 74 3.325 -1.655 -10.991 1.00 0.00 O ATOM 1110 CB GLU A 74 4.738 -4.104 -12.610 1.00 0.00 C ATOM 1111 CG GLU A 74 6.247 -3.925 -12.639 1.00 0.00 C ATOM 1112 CD GLU A 74 6.804 -3.901 -14.049 1.00 0.00 C ATOM 1113 OE1 GLU A 74 6.878 -4.977 -14.678 1.00 0.00 O ATOM 1114 OE2 GLU A 74 7.167 -2.804 -14.524 1.00 0.00 O ATOM 0 H GLU A 74 2.209 -4.078 -12.058 1.00 0.00 H new ATOM 0 HA GLU A 74 4.666 -4.524 -10.503 1.00 0.00 H new ATOM 0 HB2 GLU A 74 4.492 -5.103 -12.970 1.00 0.00 H new ATOM 0 HB3 GLU A 74 4.283 -3.395 -13.302 1.00 0.00 H new ATOM 0 HG2 GLU A 74 6.509 -2.996 -12.133 1.00 0.00 H new ATOM 0 HG3 GLU A 74 6.716 -4.735 -12.081 1.00 0.00 H new ATOM 1121 N HIS A 75 5.394 -2.098 -10.225 1.00 0.00 N ATOM 1122 CA HIS A 75 5.639 -0.733 -9.776 1.00 0.00 C ATOM 1123 C HIS A 75 5.189 0.275 -10.830 1.00 0.00 C ATOM 1124 O HIS A 75 4.361 1.144 -10.559 1.00 0.00 O ATOM 1125 CB HIS A 75 7.122 -0.534 -9.464 1.00 0.00 C ATOM 1126 CG HIS A 75 7.512 0.902 -9.295 1.00 0.00 C ATOM 1127 ND1 HIS A 75 7.683 1.495 -8.062 1.00 0.00 N ATOM 1128 CD2 HIS A 75 7.766 1.864 -10.212 1.00 0.00 C ATOM 1129 CE1 HIS A 75 8.024 2.761 -8.228 1.00 0.00 C ATOM 1130 NE2 HIS A 75 8.081 3.010 -9.524 1.00 0.00 N ATOM 0 H HIS A 75 6.168 -2.742 -10.059 1.00 0.00 H new ATOM 0 HA HIS A 75 5.059 -0.566 -8.868 1.00 0.00 H new ATOM 0 HB2 HIS A 75 7.369 -1.079 -8.553 1.00 0.00 H new ATOM 0 HB3 HIS A 75 7.715 -0.971 -10.267 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.728 1.751 -11.285 1.00 0.00 H new ATOM 0 HE1 HIS A 75 8.222 3.471 -7.439 1.00 0.00 H new ATOM 0 HE2 HIS A 75 8.320 3.908 -9.945 1.00 0.00 H new ATOM 1139 N ALA A 76 5.742 0.152 -12.032 1.00 0.00 N ATOM 1140 CA ALA A 76 5.397 1.051 -13.127 1.00 0.00 C ATOM 1141 C ALA A 76 3.887 1.238 -13.229 1.00 0.00 C ATOM 1142 O ALA A 76 3.407 2.329 -13.536 1.00 0.00 O ATOM 1143 CB ALA A 76 5.955 0.523 -14.440 1.00 0.00 C ATOM 0 H ALA A 76 6.431 -0.561 -12.272 1.00 0.00 H new ATOM 0 HA ALA A 76 5.844 2.023 -12.920 1.00 0.00 H new ATOM 0 HB1 ALA A 76 5.690 1.204 -15.248 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.040 0.448 -14.370 1.00 0.00 H new ATOM 0 HB3 ALA A 76 5.536 -0.462 -14.644 1.00 0.00 H new ATOM 1149 N GLN A 77 3.144 0.166 -12.970 1.00 0.00 N ATOM 1150 CA GLN A 77 1.688 0.213 -13.035 1.00 0.00 C ATOM 1151 C GLN A 77 1.114 0.966 -11.840 1.00 0.00 C ATOM 1152 O GLN A 77 0.117 1.678 -11.962 1.00 0.00 O ATOM 1153 CB GLN A 77 1.113 -1.204 -13.084 1.00 0.00 C ATOM 1154 CG GLN A 77 1.408 -1.935 -14.384 1.00 0.00 C ATOM 1155 CD GLN A 77 0.404 -3.034 -14.675 1.00 0.00 C ATOM 1156 OE1 GLN A 77 0.735 -4.219 -14.636 1.00 0.00 O ATOM 1157 NE2 GLN A 77 -0.831 -2.645 -14.970 1.00 0.00 N ATOM 0 H GLN A 77 3.526 -0.744 -12.714 1.00 0.00 H new ATOM 0 HA GLN A 77 1.407 0.744 -13.945 1.00 0.00 H new ATOM 0 HB2 GLN A 77 1.518 -1.781 -12.252 1.00 0.00 H new ATOM 0 HB3 GLN A 77 0.033 -1.154 -12.941 1.00 0.00 H new ATOM 0 HG2 GLN A 77 1.408 -1.220 -15.207 1.00 0.00 H new ATOM 0 HG3 GLN A 77 2.408 -2.365 -14.336 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -1.062 -1.652 -14.991 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -1.549 -3.340 -15.176 1.00 0.00 H new ATOM 1166 N VAL A 78 1.750 0.805 -10.683 1.00 0.00 N ATOM 1167 CA VAL A 78 1.304 1.470 -9.466 1.00 0.00 C ATOM 1168 C VAL A 78 1.612 2.963 -9.510 1.00 0.00 C ATOM 1169 O VAL A 78 0.714 3.797 -9.396 1.00 0.00 O ATOM 1170 CB VAL A 78 1.964 0.858 -8.216 1.00 0.00 C ATOM 1171 CG1 VAL A 78 1.427 1.512 -6.953 1.00 0.00 C ATOM 1172 CG2 VAL A 78 1.745 -0.647 -8.182 1.00 0.00 C ATOM 0 H VAL A 78 2.576 0.219 -10.564 1.00 0.00 H new ATOM 0 HA VAL A 78 0.225 1.326 -9.405 1.00 0.00 H new ATOM 0 HB VAL A 78 3.037 1.046 -8.264 1.00 0.00 H new ATOM 0 HG11 VAL A 78 1.905 1.066 -6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 78 1.641 2.581 -6.977 1.00 0.00 H new ATOM 0 HG13 VAL A 78 0.349 1.359 -6.894 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.218 -1.063 -7.293 1.00 0.00 H new ATOM 0 HG22 VAL A 78 0.676 -0.859 -8.158 1.00 0.00 H new ATOM 0 HG23 VAL A 78 2.184 -1.099 -9.071 1.00 0.00 H new ATOM 1182 N VAL A 79 2.889 3.293 -9.676 1.00 0.00 N ATOM 1183 CA VAL A 79 3.317 4.685 -9.737 1.00 0.00 C ATOM 1184 C VAL A 79 2.365 5.516 -10.591 1.00 0.00 C ATOM 1185 O VAL A 79 2.012 6.638 -10.231 1.00 0.00 O ATOM 1186 CB VAL A 79 4.742 4.810 -10.308 1.00 0.00 C ATOM 1187 CG1 VAL A 79 4.812 4.211 -11.704 1.00 0.00 C ATOM 1188 CG2 VAL A 79 5.185 6.265 -10.320 1.00 0.00 C ATOM 0 H VAL A 79 3.645 2.615 -9.771 1.00 0.00 H new ATOM 0 HA VAL A 79 3.309 5.063 -8.715 1.00 0.00 H new ATOM 0 HB VAL A 79 5.423 4.252 -9.665 1.00 0.00 H new ATOM 0 HG11 VAL A 79 5.826 4.308 -12.091 1.00 0.00 H new ATOM 0 HG12 VAL A 79 4.540 3.156 -11.662 1.00 0.00 H new ATOM 0 HG13 VAL A 79 4.120 4.738 -12.361 1.00 0.00 H new ATOM 0 HG21 VAL A 79 6.194 6.335 -10.726 1.00 0.00 H new ATOM 0 HG22 VAL A 79 4.503 6.848 -10.939 1.00 0.00 H new ATOM 0 HG23 VAL A 79 5.176 6.657 -9.303 1.00 0.00 H new ATOM 1198 N GLU A 80 1.952 4.955 -11.724 1.00 0.00 N ATOM 1199 CA GLU A 80 1.041 5.645 -12.629 1.00 0.00 C ATOM 1200 C GLU A 80 -0.256 6.016 -11.916 1.00 0.00 C ATOM 1201 O GLU A 80 -0.748 7.139 -12.042 1.00 0.00 O ATOM 1202 CB GLU A 80 0.735 4.769 -13.846 1.00 0.00 C ATOM 1203 CG GLU A 80 -0.349 5.336 -14.747 1.00 0.00 C ATOM 1204 CD GLU A 80 -0.289 4.776 -16.155 1.00 0.00 C ATOM 1205 OE1 GLU A 80 0.830 4.638 -16.690 1.00 0.00 O ATOM 1206 OE2 GLU A 80 -1.361 4.477 -16.721 1.00 0.00 O ATOM 0 H GLU A 80 2.234 4.026 -12.036 1.00 0.00 H new ATOM 0 HA GLU A 80 1.527 6.562 -12.964 1.00 0.00 H new ATOM 0 HB2 GLU A 80 1.648 4.638 -14.428 1.00 0.00 H new ATOM 0 HB3 GLU A 80 0.431 3.780 -13.504 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -1.326 5.119 -14.315 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -0.252 6.421 -14.787 1.00 0.00 H new ATOM 1213 N LEU A 81 -0.806 5.066 -11.169 1.00 0.00 N ATOM 1214 CA LEU A 81 -2.047 5.291 -10.435 1.00 0.00 C ATOM 1215 C LEU A 81 -1.850 6.333 -9.338 1.00 0.00 C ATOM 1216 O LEU A 81 -2.723 7.166 -9.095 1.00 0.00 O ATOM 1217 CB LEU A 81 -2.548 3.981 -9.826 1.00 0.00 C ATOM 1218 CG LEU A 81 -2.895 2.869 -10.817 1.00 0.00 C ATOM 1219 CD1 LEU A 81 -2.757 1.505 -10.160 1.00 0.00 C ATOM 1220 CD2 LEU A 81 -4.304 3.061 -11.361 1.00 0.00 C ATOM 0 H LEU A 81 -0.413 4.132 -11.055 1.00 0.00 H new ATOM 0 HA LEU A 81 -2.792 5.666 -11.137 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -1.786 3.606 -9.143 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -3.434 4.197 -9.228 1.00 0.00 H new ATOM 0 HG LEU A 81 -2.194 2.920 -11.650 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -3.008 0.727 -10.881 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -1.731 1.367 -9.820 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -3.433 1.442 -9.307 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -4.535 2.261 -12.065 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -5.018 3.037 -10.538 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -4.369 4.022 -11.871 1.00 0.00 H new ATOM 1232 N VAL A 82 -0.696 6.280 -8.680 1.00 0.00 N ATOM 1233 CA VAL A 82 -0.382 7.221 -7.612 1.00 0.00 C ATOM 1234 C VAL A 82 -0.243 8.640 -8.151 1.00 0.00 C ATOM 1235 O VAL A 82 -0.500 9.613 -7.442 1.00 0.00 O ATOM 1236 CB VAL A 82 0.918 6.830 -6.884 1.00 0.00 C ATOM 1237 CG1 VAL A 82 1.157 7.743 -5.690 1.00 0.00 C ATOM 1238 CG2 VAL A 82 0.868 5.373 -6.450 1.00 0.00 C ATOM 0 H VAL A 82 0.036 5.595 -8.868 1.00 0.00 H new ATOM 0 HA VAL A 82 -1.211 7.185 -6.905 1.00 0.00 H new ATOM 0 HB VAL A 82 1.752 6.951 -7.576 1.00 0.00 H new ATOM 0 HG11 VAL A 82 2.080 7.452 -5.188 1.00 0.00 H new ATOM 0 HG12 VAL A 82 1.240 8.775 -6.032 1.00 0.00 H new ATOM 0 HG13 VAL A 82 0.323 7.657 -4.994 1.00 0.00 H new ATOM 0 HG21 VAL A 82 1.794 5.114 -5.937 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.026 5.223 -5.775 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.748 4.736 -7.326 1.00 0.00 H new ATOM 1248 N ARG A 83 0.165 8.750 -9.411 1.00 0.00 N ATOM 1249 CA ARG A 83 0.339 10.051 -10.047 1.00 0.00 C ATOM 1250 C ARG A 83 -1.010 10.654 -10.430 1.00 0.00 C ATOM 1251 O ARG A 83 -1.367 11.741 -9.977 1.00 0.00 O ATOM 1252 CB ARG A 83 1.223 9.921 -11.289 1.00 0.00 C ATOM 1253 CG ARG A 83 1.153 11.124 -12.215 1.00 0.00 C ATOM 1254 CD ARG A 83 2.439 11.293 -13.007 1.00 0.00 C ATOM 1255 NE ARG A 83 3.428 12.088 -12.283 1.00 0.00 N ATOM 1256 CZ ARG A 83 3.354 13.407 -12.147 1.00 0.00 C ATOM 1257 NH1 ARG A 83 2.342 14.076 -12.683 1.00 0.00 N ATOM 1258 NH2 ARG A 83 4.292 14.060 -11.474 1.00 0.00 N ATOM 0 H ARG A 83 0.381 7.954 -10.012 1.00 0.00 H new ATOM 0 HA ARG A 83 0.824 10.715 -9.332 1.00 0.00 H new ATOM 0 HB2 ARG A 83 2.257 9.774 -10.975 1.00 0.00 H new ATOM 0 HB3 ARG A 83 0.928 9.029 -11.843 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.314 11.008 -12.901 1.00 0.00 H new ATOM 0 HG3 ARG A 83 0.964 12.024 -11.630 1.00 0.00 H new ATOM 0 HD2 ARG A 83 2.857 10.312 -13.232 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.217 11.772 -13.961 1.00 0.00 H new ATOM 0 HE ARG A 83 4.219 11.603 -11.859 1.00 0.00 H new ATOM 0 HH11 ARG A 83 1.618 13.577 -13.201 1.00 0.00 H new ATOM 0 HH12 ARG A 83 2.287 15.089 -12.577 1.00 0.00 H new ATOM 0 HH21 ARG A 83 5.072 13.549 -11.060 1.00 0.00 H new ATOM 0 HH22 ARG A 83 4.234 15.073 -11.371 1.00 0.00 H new ATOM 1272 N LYS A 84 -1.754 9.940 -11.268 1.00 0.00 N ATOM 1273 CA LYS A 84 -3.063 10.403 -11.713 1.00 0.00 C ATOM 1274 C LYS A 84 -3.954 10.741 -10.522 1.00 0.00 C ATOM 1275 O LYS A 84 -4.767 11.663 -10.585 1.00 0.00 O ATOM 1276 CB LYS A 84 -3.736 9.336 -12.580 1.00 0.00 C ATOM 1277 CG LYS A 84 -4.288 8.166 -11.785 1.00 0.00 C ATOM 1278 CD LYS A 84 -4.960 7.145 -12.689 1.00 0.00 C ATOM 1279 CE LYS A 84 -6.436 7.459 -12.883 1.00 0.00 C ATOM 1280 NZ LYS A 84 -6.962 6.884 -14.151 1.00 0.00 N ATOM 0 H LYS A 84 -1.473 9.038 -11.653 1.00 0.00 H new ATOM 0 HA LYS A 84 -2.919 11.307 -12.305 1.00 0.00 H new ATOM 0 HB2 LYS A 84 -4.547 9.797 -13.144 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -3.015 8.963 -13.307 1.00 0.00 H new ATOM 0 HG2 LYS A 84 -3.480 7.687 -11.232 1.00 0.00 H new ATOM 0 HG3 LYS A 84 -5.006 8.531 -11.050 1.00 0.00 H new ATOM 0 HD2 LYS A 84 -4.460 7.130 -13.657 1.00 0.00 H new ATOM 0 HD3 LYS A 84 -4.852 6.149 -12.259 1.00 0.00 H new ATOM 0 HE2 LYS A 84 -7.005 7.064 -12.041 1.00 0.00 H new ATOM 0 HE3 LYS A 84 -6.580 8.539 -12.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 -7.970 7.120 -14.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 -6.436 7.280 -14.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 -6.848 5.850 -14.137 1.00 0.00 H new ATOM 1294 N SER A 85 -3.794 9.991 -9.436 1.00 0.00 N ATOM 1295 CA SER A 85 -4.585 10.211 -8.232 1.00 0.00 C ATOM 1296 C SER A 85 -4.757 11.702 -7.958 1.00 0.00 C ATOM 1297 O SER A 85 -5.866 12.178 -7.723 1.00 0.00 O ATOM 1298 CB SER A 85 -3.923 9.533 -7.030 1.00 0.00 C ATOM 1299 OG SER A 85 -4.217 8.147 -7.000 1.00 0.00 O ATOM 0 H SER A 85 -3.123 9.226 -9.366 1.00 0.00 H new ATOM 0 HA SER A 85 -5.570 9.773 -8.390 1.00 0.00 H new ATOM 0 HB2 SER A 85 -2.844 9.678 -7.076 1.00 0.00 H new ATOM 0 HB3 SER A 85 -4.269 10.001 -6.108 1.00 0.00 H new ATOM 0 HG SER A 85 -3.729 7.693 -7.719 1.00 0.00 H new ATOM 1305 N GLY A 86 -3.647 12.434 -7.991 1.00 0.00 N ATOM 1306 CA GLY A 86 -3.695 13.864 -7.746 1.00 0.00 C ATOM 1307 C GLY A 86 -2.952 14.261 -6.486 1.00 0.00 C ATOM 1308 O GLY A 86 -1.981 13.611 -6.099 1.00 0.00 O ATOM 0 H GLY A 86 -2.717 12.063 -8.183 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.266 14.390 -8.598 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -4.735 14.181 -7.666 1.00 0.00 H new ATOM 1312 N ASN A 87 -3.407 15.332 -5.844 1.00 0.00 N ATOM 1313 CA ASN A 87 -2.777 15.815 -4.621 1.00 0.00 C ATOM 1314 C ASN A 87 -3.014 14.846 -3.467 1.00 0.00 C ATOM 1315 O ASN A 87 -2.107 14.563 -2.684 1.00 0.00 O ATOM 1316 CB ASN A 87 -3.317 17.200 -4.258 1.00 0.00 C ATOM 1317 CG ASN A 87 -3.194 18.187 -5.403 1.00 0.00 C ATOM 1318 OD1 ASN A 87 -4.195 18.698 -5.907 1.00 0.00 O ATOM 1319 ND2 ASN A 87 -1.963 18.459 -5.820 1.00 0.00 N ATOM 0 H ASN A 87 -4.210 15.882 -6.150 1.00 0.00 H new ATOM 0 HA ASN A 87 -1.704 15.885 -4.798 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -4.364 17.114 -3.967 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -2.776 17.583 -3.392 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -1.818 19.115 -6.588 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -1.163 18.012 -5.373 1.00 0.00 H new ATOM 1326 N SER A 88 -4.239 14.341 -3.367 1.00 0.00 N ATOM 1327 CA SER A 88 -4.597 13.406 -2.307 1.00 0.00 C ATOM 1328 C SER A 88 -4.608 11.972 -2.828 1.00 0.00 C ATOM 1329 O SER A 88 -5.250 11.670 -3.835 1.00 0.00 O ATOM 1330 CB SER A 88 -5.967 13.760 -1.727 1.00 0.00 C ATOM 1331 OG SER A 88 -6.993 13.569 -2.686 1.00 0.00 O ATOM 0 H SER A 88 -5.001 14.564 -4.008 1.00 0.00 H new ATOM 0 HA SER A 88 -3.846 13.483 -1.520 1.00 0.00 H new ATOM 0 HB2 SER A 88 -6.165 13.143 -0.851 1.00 0.00 H new ATOM 0 HB3 SER A 88 -5.966 14.797 -1.392 1.00 0.00 H new ATOM 0 HG SER A 88 -6.675 12.965 -3.389 1.00 0.00 H new ATOM 1337 N VAL A 89 -3.893 11.091 -2.135 1.00 0.00 N ATOM 1338 CA VAL A 89 -3.821 9.689 -2.526 1.00 0.00 C ATOM 1339 C VAL A 89 -4.109 8.773 -1.342 1.00 0.00 C ATOM 1340 O VAL A 89 -3.562 8.954 -0.254 1.00 0.00 O ATOM 1341 CB VAL A 89 -2.438 9.339 -3.107 1.00 0.00 C ATOM 1342 CG1 VAL A 89 -2.415 7.901 -3.602 1.00 0.00 C ATOM 1343 CG2 VAL A 89 -2.070 10.302 -4.225 1.00 0.00 C ATOM 0 H VAL A 89 -3.356 11.324 -1.300 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.579 9.535 -3.294 1.00 0.00 H new ATOM 0 HB VAL A 89 -1.696 9.437 -2.315 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.430 7.672 -4.009 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.631 7.227 -2.773 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -3.168 7.772 -4.380 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.090 10.039 -4.623 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.814 10.238 -5.019 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.042 11.319 -3.835 1.00 0.00 H new ATOM 1353 N THR A 90 -4.973 7.786 -1.561 1.00 0.00 N ATOM 1354 CA THR A 90 -5.336 6.841 -0.512 1.00 0.00 C ATOM 1355 C THR A 90 -4.563 5.535 -0.657 1.00 0.00 C ATOM 1356 O THR A 90 -4.348 5.049 -1.769 1.00 0.00 O ATOM 1357 CB THR A 90 -6.845 6.536 -0.529 1.00 0.00 C ATOM 1358 OG1 THR A 90 -7.592 7.757 -0.552 1.00 0.00 O ATOM 1359 CG2 THR A 90 -7.244 5.714 0.688 1.00 0.00 C ATOM 0 H THR A 90 -5.434 7.621 -2.456 1.00 0.00 H new ATOM 0 HA THR A 90 -5.078 7.309 0.438 1.00 0.00 H new ATOM 0 HB THR A 90 -7.067 5.959 -1.427 1.00 0.00 H new ATOM 0 HG1 THR A 90 -8.551 7.554 -0.564 1.00 0.00 H new ATOM 0 HG21 THR A 90 -8.314 5.511 0.655 1.00 0.00 H new ATOM 0 HG22 THR A 90 -6.695 4.772 0.687 1.00 0.00 H new ATOM 0 HG23 THR A 90 -7.008 6.270 1.596 1.00 0.00 H new ATOM 1367 N LEU A 91 -4.147 4.971 0.471 1.00 0.00 N ATOM 1368 CA LEU A 91 -3.398 3.719 0.469 1.00 0.00 C ATOM 1369 C LEU A 91 -3.802 2.841 1.649 1.00 0.00 C ATOM 1370 O LEU A 91 -4.200 3.342 2.702 1.00 0.00 O ATOM 1371 CB LEU A 91 -1.895 4.001 0.520 1.00 0.00 C ATOM 1372 CG LEU A 91 -1.363 4.990 -0.518 1.00 0.00 C ATOM 1373 CD1 LEU A 91 0.022 5.481 -0.126 1.00 0.00 C ATOM 1374 CD2 LEU A 91 -1.332 4.349 -1.898 1.00 0.00 C ATOM 0 H LEU A 91 -4.315 5.360 1.399 1.00 0.00 H new ATOM 0 HA LEU A 91 -3.631 3.186 -0.453 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -1.650 4.379 1.512 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -1.364 3.057 0.399 1.00 0.00 H new ATOM 0 HG LEU A 91 -2.034 5.848 -0.552 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.385 6.184 -0.876 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -0.029 5.978 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 91 0.704 4.633 -0.063 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.951 5.067 -2.624 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.683 3.474 -1.878 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.340 4.047 -2.181 1.00 0.00 H new ATOM 1386 N LEU A 92 -3.695 1.529 1.468 1.00 0.00 N ATOM 1387 CA LEU A 92 -4.047 0.581 2.518 1.00 0.00 C ATOM 1388 C LEU A 92 -2.834 -0.245 2.936 1.00 0.00 C ATOM 1389 O LEU A 92 -2.355 -1.089 2.179 1.00 0.00 O ATOM 1390 CB LEU A 92 -5.169 -0.345 2.043 1.00 0.00 C ATOM 1391 CG LEU A 92 -6.587 0.222 2.124 1.00 0.00 C ATOM 1392 CD1 LEU A 92 -7.556 -0.650 1.342 1.00 0.00 C ATOM 1393 CD2 LEU A 92 -7.029 0.347 3.575 1.00 0.00 C ATOM 0 H LEU A 92 -3.367 1.098 0.604 1.00 0.00 H new ATOM 0 HA LEU A 92 -4.393 1.148 3.382 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -4.969 -0.624 1.008 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -5.131 -1.261 2.633 1.00 0.00 H new ATOM 0 HG LEU A 92 -6.586 1.217 1.679 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -8.560 -0.231 1.411 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -7.250 -0.687 0.297 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -7.554 -1.658 1.757 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -8.040 0.752 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -7.014 -0.636 4.046 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -6.350 1.014 4.106 1.00 0.00 H new ATOM 1405 N VAL A 93 -2.344 0.004 4.146 1.00 0.00 N ATOM 1406 CA VAL A 93 -1.189 -0.719 4.665 1.00 0.00 C ATOM 1407 C VAL A 93 -1.591 -1.656 5.798 1.00 0.00 C ATOM 1408 O VAL A 93 -2.434 -1.318 6.630 1.00 0.00 O ATOM 1409 CB VAL A 93 -0.105 0.249 5.176 1.00 0.00 C ATOM 1410 CG1 VAL A 93 0.335 1.192 4.066 1.00 0.00 C ATOM 1411 CG2 VAL A 93 -0.612 1.030 6.379 1.00 0.00 C ATOM 0 H VAL A 93 -2.728 0.700 4.785 1.00 0.00 H new ATOM 0 HA VAL A 93 -0.784 -1.304 3.839 1.00 0.00 H new ATOM 0 HB VAL A 93 0.760 -0.335 5.489 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.101 1.868 4.445 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.741 0.613 3.236 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.521 1.771 3.720 1.00 0.00 H new ATOM 0 HG21 VAL A 93 0.167 1.709 6.727 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.494 1.604 6.095 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -0.873 0.337 7.179 1.00 0.00 H new ATOM 1421 N LEU A 94 -0.983 -2.837 5.825 1.00 0.00 N ATOM 1422 CA LEU A 94 -1.277 -3.826 6.856 1.00 0.00 C ATOM 1423 C LEU A 94 -0.107 -3.968 7.824 1.00 0.00 C ATOM 1424 O LEU A 94 1.021 -3.589 7.509 1.00 0.00 O ATOM 1425 CB LEU A 94 -1.593 -5.180 6.218 1.00 0.00 C ATOM 1426 CG LEU A 94 -2.290 -6.200 7.118 1.00 0.00 C ATOM 1427 CD1 LEU A 94 -3.673 -5.706 7.515 1.00 0.00 C ATOM 1428 CD2 LEU A 94 -2.385 -7.550 6.422 1.00 0.00 C ATOM 0 H LEU A 94 -0.283 -3.133 5.144 1.00 0.00 H new ATOM 0 HA LEU A 94 -2.148 -3.483 7.415 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.220 -5.009 5.343 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -0.660 -5.617 5.861 1.00 0.00 H new ATOM 0 HG LEU A 94 -1.695 -6.321 8.024 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -4.154 -6.446 8.155 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -3.582 -4.763 8.055 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.276 -5.555 6.620 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -2.884 -8.263 7.078 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -2.956 -7.444 5.500 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -1.383 -7.911 6.189 1.00 0.00 H new ATOM 1440 N ASP A 95 -0.382 -4.519 9.001 1.00 0.00 N ATOM 1441 CA ASP A 95 0.648 -4.715 10.014 1.00 0.00 C ATOM 1442 C ASP A 95 1.631 -5.801 9.586 1.00 0.00 C ATOM 1443 O ASP A 95 1.238 -6.820 9.020 1.00 0.00 O ATOM 1444 CB ASP A 95 0.012 -5.084 11.355 1.00 0.00 C ATOM 1445 CG ASP A 95 -0.907 -3.998 11.878 1.00 0.00 C ATOM 1446 OD1 ASP A 95 -1.842 -3.610 11.147 1.00 0.00 O ATOM 1447 OD2 ASP A 95 -0.691 -3.535 13.018 1.00 0.00 O ATOM 0 H ASP A 95 -1.311 -4.838 9.277 1.00 0.00 H new ATOM 0 HA ASP A 95 1.195 -3.779 10.127 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -0.552 -6.010 11.244 1.00 0.00 H new ATOM 0 HB3 ASP A 95 0.798 -5.274 12.086 1.00 0.00 H new ATOM 1452 N GLY A 96 2.912 -5.575 9.861 1.00 0.00 N ATOM 1453 CA GLY A 96 3.931 -6.542 9.497 1.00 0.00 C ATOM 1454 C GLY A 96 3.550 -7.958 9.882 1.00 0.00 C ATOM 1455 O GLY A 96 3.209 -8.772 9.023 1.00 0.00 O ATOM 0 H GLY A 96 3.262 -4.739 10.329 1.00 0.00 H new ATOM 0 HA2 GLY A 96 4.104 -6.495 8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 96 4.870 -6.277 9.983 1.00 0.00 H new ATOM 1459 N ASP A 97 3.609 -8.253 11.176 1.00 0.00 N ATOM 1460 CA ASP A 97 3.268 -9.581 11.673 1.00 0.00 C ATOM 1461 C ASP A 97 2.016 -10.115 10.984 1.00 0.00 C ATOM 1462 O ASP A 97 1.959 -11.282 10.596 1.00 0.00 O ATOM 1463 CB ASP A 97 3.054 -9.543 13.187 1.00 0.00 C ATOM 1464 CG ASP A 97 4.356 -9.412 13.953 1.00 0.00 C ATOM 1465 OD1 ASP A 97 4.988 -8.338 13.871 1.00 0.00 O ATOM 1466 OD2 ASP A 97 4.743 -10.384 14.634 1.00 0.00 O ATOM 0 H ASP A 97 3.890 -7.591 11.899 1.00 0.00 H new ATOM 0 HA ASP A 97 4.098 -10.250 11.447 1.00 0.00 H new ATOM 0 HB2 ASP A 97 2.402 -8.706 13.438 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.541 -10.452 13.501 1.00 0.00 H new ATOM 1471 N SER A 98 1.015 -9.253 10.836 1.00 0.00 N ATOM 1472 CA SER A 98 -0.238 -9.639 10.197 1.00 0.00 C ATOM 1473 C SER A 98 0.009 -10.153 8.783 1.00 0.00 C ATOM 1474 O SER A 98 -0.329 -11.291 8.456 1.00 0.00 O ATOM 1475 CB SER A 98 -1.202 -8.452 10.160 1.00 0.00 C ATOM 1476 OG SER A 98 -1.699 -8.156 11.454 1.00 0.00 O ATOM 0 H SER A 98 1.047 -8.283 11.150 1.00 0.00 H new ATOM 0 HA SER A 98 -0.684 -10.442 10.783 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.692 -7.578 9.755 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.033 -8.675 9.491 1.00 0.00 H new ATOM 0 HG SER A 98 -2.311 -7.393 11.403 1.00 0.00 H new ATOM 1482 N TYR A 99 0.600 -9.306 7.947 1.00 0.00 N ATOM 1483 CA TYR A 99 0.891 -9.673 6.566 1.00 0.00 C ATOM 1484 C TYR A 99 1.657 -10.990 6.502 1.00 0.00 C ATOM 1485 O TYR A 99 1.206 -11.954 5.884 1.00 0.00 O ATOM 1486 CB TYR A 99 1.696 -8.567 5.881 1.00 0.00 C ATOM 1487 CG TYR A 99 1.654 -8.634 4.371 1.00 0.00 C ATOM 1488 CD1 TYR A 99 2.451 -9.532 3.673 1.00 0.00 C ATOM 1489 CD2 TYR A 99 0.815 -7.798 3.643 1.00 0.00 C ATOM 1490 CE1 TYR A 99 2.415 -9.595 2.293 1.00 0.00 C ATOM 1491 CE2 TYR A 99 0.772 -7.856 2.264 1.00 0.00 C ATOM 1492 CZ TYR A 99 1.575 -8.755 1.593 1.00 0.00 C ATOM 1493 OH TYR A 99 1.536 -8.816 0.219 1.00 0.00 O ATOM 0 H TYR A 99 0.887 -8.361 8.202 1.00 0.00 H new ATOM 0 HA TYR A 99 -0.057 -9.800 6.043 1.00 0.00 H new ATOM 0 HB2 TYR A 99 1.315 -7.598 6.204 1.00 0.00 H new ATOM 0 HB3 TYR A 99 2.733 -8.627 6.210 1.00 0.00 H new ATOM 0 HD1 TYR A 99 3.110 -10.192 4.218 1.00 0.00 H new ATOM 0 HD2 TYR A 99 0.186 -7.091 4.165 1.00 0.00 H new ATOM 0 HE1 TYR A 99 3.042 -10.299 1.765 1.00 0.00 H new ATOM 0 HE2 TYR A 99 0.113 -7.201 1.714 1.00 0.00 H new ATOM 0 HH TYR A 99 0.892 -8.159 -0.119 1.00 0.00 H new ATOM 1503 N GLU A 100 2.820 -11.023 7.146 1.00 0.00 N ATOM 1504 CA GLU A 100 3.650 -12.222 7.162 1.00 0.00 C ATOM 1505 C GLU A 100 2.814 -13.458 7.478 1.00 0.00 C ATOM 1506 O GLU A 100 2.888 -14.468 6.777 1.00 0.00 O ATOM 1507 CB GLU A 100 4.774 -12.076 8.190 1.00 0.00 C ATOM 1508 CG GLU A 100 5.711 -10.914 7.907 1.00 0.00 C ATOM 1509 CD GLU A 100 7.059 -11.074 8.583 1.00 0.00 C ATOM 1510 OE1 GLU A 100 7.122 -11.757 9.626 1.00 0.00 O ATOM 1511 OE2 GLU A 100 8.051 -10.516 8.068 1.00 0.00 O ATOM 0 H GLU A 100 3.208 -10.234 7.663 1.00 0.00 H new ATOM 0 HA GLU A 100 4.087 -12.344 6.171 1.00 0.00 H new ATOM 0 HB2 GLU A 100 4.335 -11.945 9.179 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.352 -13.000 8.217 1.00 0.00 H new ATOM 0 HG2 GLU A 100 5.857 -10.824 6.831 1.00 0.00 H new ATOM 0 HG3 GLU A 100 5.247 -9.987 8.245 1.00 0.00 H new ATOM 1518 N LYS A 101 2.018 -13.372 8.538 1.00 0.00 N ATOM 1519 CA LYS A 101 1.167 -14.482 8.949 1.00 0.00 C ATOM 1520 C LYS A 101 0.198 -14.866 7.835 1.00 0.00 C ATOM 1521 O LYS A 101 0.238 -15.984 7.323 1.00 0.00 O ATOM 1522 CB LYS A 101 0.386 -14.113 10.213 1.00 0.00 C ATOM 1523 CG LYS A 101 -0.629 -15.163 10.629 1.00 0.00 C ATOM 1524 CD LYS A 101 -1.440 -14.709 11.831 1.00 0.00 C ATOM 1525 CE LYS A 101 -0.614 -14.749 13.108 1.00 0.00 C ATOM 1526 NZ LYS A 101 -0.715 -16.068 13.792 1.00 0.00 N ATOM 0 H LYS A 101 1.944 -12.544 9.129 1.00 0.00 H new ATOM 0 HA LYS A 101 1.807 -15.338 9.162 1.00 0.00 H new ATOM 0 HB2 LYS A 101 1.089 -13.955 11.031 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -0.129 -13.167 10.048 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -1.299 -15.373 9.795 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -0.114 -16.094 10.867 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -1.804 -13.695 11.664 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -2.316 -15.348 11.943 1.00 0.00 H new ATOM 0 HE2 LYS A 101 0.430 -14.541 12.872 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -0.951 -13.963 13.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -0.138 -16.055 14.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -1.707 -16.255 14.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -0.370 -16.816 13.157 1.00 0.00 H new ATOM 1540 N ALA A 102 -0.669 -13.930 7.463 1.00 0.00 N ATOM 1541 CA ALA A 102 -1.645 -14.170 6.407 1.00 0.00 C ATOM 1542 C ALA A 102 -1.001 -14.863 5.211 1.00 0.00 C ATOM 1543 O ALA A 102 -1.399 -15.965 4.831 1.00 0.00 O ATOM 1544 CB ALA A 102 -2.289 -12.860 5.976 1.00 0.00 C ATOM 0 H ALA A 102 -0.715 -12.999 7.877 1.00 0.00 H new ATOM 0 HA ALA A 102 -2.417 -14.829 6.803 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.016 -13.054 5.187 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -2.792 -12.404 6.829 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -1.521 -12.182 5.603 1.00 0.00 H new ATOM 1550 N VAL A 103 -0.005 -14.211 4.621 1.00 0.00 N ATOM 1551 CA VAL A 103 0.695 -14.766 3.468 1.00 0.00 C ATOM 1552 C VAL A 103 0.988 -16.249 3.664 1.00 0.00 C ATOM 1553 O VAL A 103 0.744 -17.065 2.775 1.00 0.00 O ATOM 1554 CB VAL A 103 2.018 -14.023 3.204 1.00 0.00 C ATOM 1555 CG1 VAL A 103 2.779 -14.677 2.060 1.00 0.00 C ATOM 1556 CG2 VAL A 103 1.754 -12.554 2.908 1.00 0.00 C ATOM 0 H VAL A 103 0.336 -13.298 4.922 1.00 0.00 H new ATOM 0 HA VAL A 103 0.038 -14.639 2.608 1.00 0.00 H new ATOM 0 HB VAL A 103 2.634 -14.085 4.101 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.711 -14.138 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 103 3.001 -15.713 2.316 1.00 0.00 H new ATOM 0 HG13 VAL A 103 2.171 -14.649 1.156 1.00 0.00 H new ATOM 0 HG21 VAL A 103 2.700 -12.044 2.724 1.00 0.00 H new ATOM 0 HG22 VAL A 103 1.118 -12.469 2.027 1.00 0.00 H new ATOM 0 HG23 VAL A 103 1.255 -12.095 3.761 1.00 0.00 H new ATOM 1566 N LYS A 104 1.513 -16.593 4.835 1.00 0.00 N ATOM 1567 CA LYS A 104 1.839 -17.978 5.151 1.00 0.00 C ATOM 1568 C LYS A 104 0.617 -18.876 4.985 1.00 0.00 C ATOM 1569 O LYS A 104 0.674 -19.897 4.302 1.00 0.00 O ATOM 1570 CB LYS A 104 2.372 -18.085 6.582 1.00 0.00 C ATOM 1571 CG LYS A 104 3.364 -19.218 6.778 1.00 0.00 C ATOM 1572 CD LYS A 104 4.790 -18.762 6.520 1.00 0.00 C ATOM 1573 CE LYS A 104 5.126 -18.793 5.036 1.00 0.00 C ATOM 1574 NZ LYS A 104 6.583 -18.612 4.793 1.00 0.00 N ATOM 0 H LYS A 104 1.722 -15.930 5.582 1.00 0.00 H new ATOM 0 HA LYS A 104 2.610 -18.311 4.456 1.00 0.00 H new ATOM 0 HB2 LYS A 104 2.850 -17.144 6.854 1.00 0.00 H new ATOM 0 HB3 LYS A 104 1.533 -18.226 7.264 1.00 0.00 H new ATOM 0 HG2 LYS A 104 3.282 -19.602 7.795 1.00 0.00 H new ATOM 0 HG3 LYS A 104 3.117 -20.040 6.106 1.00 0.00 H new ATOM 0 HD2 LYS A 104 4.925 -17.751 6.903 1.00 0.00 H new ATOM 0 HD3 LYS A 104 5.482 -19.404 7.064 1.00 0.00 H new ATOM 0 HE2 LYS A 104 4.802 -19.743 4.610 1.00 0.00 H new ATOM 0 HE3 LYS A 104 4.572 -18.008 4.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 6.770 -18.639 3.770 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 6.888 -17.695 5.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 7.111 -19.376 5.262 1.00 0.00 H new ATOM 1588 N ASN A 105 -0.488 -18.487 5.613 1.00 0.00 N ATOM 1589 CA ASN A 105 -1.724 -19.256 5.533 1.00 0.00 C ATOM 1590 C ASN A 105 -2.528 -18.867 4.297 1.00 0.00 C ATOM 1591 O ASN A 105 -3.734 -19.103 4.229 1.00 0.00 O ATOM 1592 CB ASN A 105 -2.566 -19.040 6.792 1.00 0.00 C ATOM 1593 CG ASN A 105 -1.758 -19.211 8.064 1.00 0.00 C ATOM 1594 OD1 ASN A 105 -1.385 -20.326 8.430 1.00 0.00 O ATOM 1595 ND2 ASN A 105 -1.486 -18.104 8.745 1.00 0.00 N ATOM 0 H ASN A 105 -0.552 -17.644 6.183 1.00 0.00 H new ATOM 0 HA ASN A 105 -1.462 -20.311 5.456 1.00 0.00 H new ATOM 0 HB2 ASN A 105 -2.997 -18.039 6.770 1.00 0.00 H new ATOM 0 HB3 ASN A 105 -3.397 -19.745 6.795 1.00 0.00 H new ATOM 0 HD21 ASN A 105 -0.947 -18.156 9.610 1.00 0.00 H new ATOM 0 HD22 ASN A 105 -1.816 -17.201 8.404 1.00 0.00 H new ATOM 1602 N GLN A 106 -1.852 -18.269 3.321 1.00 0.00 N ATOM 1603 CA GLN A 106 -2.504 -17.847 2.087 1.00 0.00 C ATOM 1604 C GLN A 106 -3.924 -17.364 2.360 1.00 0.00 C ATOM 1605 O GLN A 106 -4.870 -17.771 1.685 1.00 0.00 O ATOM 1606 CB GLN A 106 -2.529 -18.997 1.079 1.00 0.00 C ATOM 1607 CG GLN A 106 -1.162 -19.331 0.504 1.00 0.00 C ATOM 1608 CD GLN A 106 -1.216 -20.450 -0.518 1.00 0.00 C ATOM 1609 OE1 GLN A 106 -2.255 -20.695 -1.132 1.00 0.00 O ATOM 1610 NE2 GLN A 106 -0.095 -21.135 -0.706 1.00 0.00 N ATOM 0 H GLN A 106 -0.853 -18.066 3.361 1.00 0.00 H new ATOM 0 HA GLN A 106 -1.932 -17.019 1.668 1.00 0.00 H new ATOM 0 HB2 GLN A 106 -2.937 -19.884 1.563 1.00 0.00 H new ATOM 0 HB3 GLN A 106 -3.204 -18.739 0.263 1.00 0.00 H new ATOM 0 HG2 GLN A 106 -0.740 -18.440 0.039 1.00 0.00 H new ATOM 0 HG3 GLN A 106 -0.491 -19.616 1.314 1.00 0.00 H new ATOM 0 HE21 GLN A 106 0.743 -20.897 -0.175 1.00 0.00 H new ATOM 0 HE22 GLN A 106 -0.071 -21.899 -1.381 1.00 0.00 H new ATOM 1619 N VAL A 107 -4.067 -16.493 3.354 1.00 0.00 N ATOM 1620 CA VAL A 107 -5.373 -15.954 3.716 1.00 0.00 C ATOM 1621 C VAL A 107 -5.820 -14.885 2.725 1.00 0.00 C ATOM 1622 O VAL A 107 -5.109 -13.908 2.487 1.00 0.00 O ATOM 1623 CB VAL A 107 -5.357 -15.350 5.133 1.00 0.00 C ATOM 1624 CG1 VAL A 107 -6.722 -14.777 5.485 1.00 0.00 C ATOM 1625 CG2 VAL A 107 -4.929 -16.395 6.153 1.00 0.00 C ATOM 0 H VAL A 107 -3.295 -16.146 3.923 1.00 0.00 H new ATOM 0 HA VAL A 107 -6.077 -16.786 3.691 1.00 0.00 H new ATOM 0 HB VAL A 107 -4.632 -14.537 5.154 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -6.691 -14.355 6.489 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -6.984 -13.996 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -7.470 -15.569 5.447 1.00 0.00 H new ATOM 0 HG21 VAL A 107 -4.923 -15.951 7.148 1.00 0.00 H new ATOM 0 HG22 VAL A 107 -5.628 -17.231 6.133 1.00 0.00 H new ATOM 0 HG23 VAL A 107 -3.929 -16.753 5.910 1.00 0.00 H new ATOM 1635 N ASP A 108 -7.001 -15.077 2.150 1.00 0.00 N ATOM 1636 CA ASP A 108 -7.545 -14.129 1.184 1.00 0.00 C ATOM 1637 C ASP A 108 -7.266 -12.693 1.617 1.00 0.00 C ATOM 1638 O ASP A 108 -7.754 -12.240 2.654 1.00 0.00 O ATOM 1639 CB ASP A 108 -9.051 -14.342 1.021 1.00 0.00 C ATOM 1640 CG ASP A 108 -9.743 -14.624 2.340 1.00 0.00 C ATOM 1641 OD1 ASP A 108 -10.064 -13.656 3.060 1.00 0.00 O ATOM 1642 OD2 ASP A 108 -9.961 -15.814 2.653 1.00 0.00 O ATOM 0 H ASP A 108 -7.601 -15.881 2.336 1.00 0.00 H new ATOM 0 HA ASP A 108 -7.056 -14.303 0.226 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -9.493 -13.456 0.565 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -9.225 -15.173 0.338 1.00 0.00 H new ATOM 1647 N LEU A 109 -6.479 -11.982 0.818 1.00 0.00 N ATOM 1648 CA LEU A 109 -6.133 -10.597 1.118 1.00 0.00 C ATOM 1649 C LEU A 109 -7.059 -9.633 0.383 1.00 0.00 C ATOM 1650 O LEU A 109 -7.433 -8.588 0.914 1.00 0.00 O ATOM 1651 CB LEU A 109 -4.679 -10.318 0.734 1.00 0.00 C ATOM 1652 CG LEU A 109 -3.615 -11.028 1.573 1.00 0.00 C ATOM 1653 CD1 LEU A 109 -2.232 -10.803 0.982 1.00 0.00 C ATOM 1654 CD2 LEU A 109 -3.666 -10.546 3.015 1.00 0.00 C ATOM 0 H LEU A 109 -6.068 -12.342 -0.043 1.00 0.00 H new ATOM 0 HA LEU A 109 -6.255 -10.443 2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -4.539 -10.601 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -4.507 -9.244 0.799 1.00 0.00 H new ATOM 0 HG LEU A 109 -3.823 -12.098 1.561 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -1.488 -11.315 1.592 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -2.202 -11.197 -0.034 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -2.013 -9.735 0.964 1.00 0.00 H new ATOM 0 HD21 LEU A 109 -2.903 -11.061 3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -3.483 -9.472 3.046 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -4.649 -10.759 3.435 1.00 0.00 H new ATOM 1666 N LYS A 110 -7.427 -9.993 -0.842 1.00 0.00 N ATOM 1667 CA LYS A 110 -8.312 -9.163 -1.650 1.00 0.00 C ATOM 1668 C LYS A 110 -9.484 -8.648 -0.820 1.00 0.00 C ATOM 1669 O LYS A 110 -9.978 -7.544 -1.046 1.00 0.00 O ATOM 1670 CB LYS A 110 -8.834 -9.956 -2.851 1.00 0.00 C ATOM 1671 CG LYS A 110 -7.937 -9.869 -4.073 1.00 0.00 C ATOM 1672 CD LYS A 110 -8.191 -8.595 -4.862 1.00 0.00 C ATOM 1673 CE LYS A 110 -9.296 -8.787 -5.889 1.00 0.00 C ATOM 1674 NZ LYS A 110 -8.920 -9.784 -6.929 1.00 0.00 N ATOM 0 H LYS A 110 -7.126 -10.855 -1.297 1.00 0.00 H new ATOM 0 HA LYS A 110 -7.739 -8.308 -2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -8.944 -11.002 -2.565 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -9.827 -9.591 -3.113 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -6.893 -9.903 -3.762 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.108 -10.735 -4.713 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -8.464 -7.791 -4.179 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -7.274 -8.289 -5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -10.206 -9.113 -5.386 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -9.519 -7.832 -6.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -9.417 -9.565 -7.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -7.893 -9.747 -7.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -9.187 -10.737 -6.609 1.00 0.00 H new ATOM 1688 N GLU A 111 -9.922 -9.455 0.141 1.00 0.00 N ATOM 1689 CA GLU A 111 -11.035 -9.079 1.005 1.00 0.00 C ATOM 1690 C GLU A 111 -10.666 -7.884 1.878 1.00 0.00 C ATOM 1691 O GLU A 111 -11.472 -6.973 2.076 1.00 0.00 O ATOM 1692 CB GLU A 111 -11.448 -10.261 1.885 1.00 0.00 C ATOM 1693 CG GLU A 111 -11.926 -11.469 1.098 1.00 0.00 C ATOM 1694 CD GLU A 111 -12.246 -12.655 1.987 1.00 0.00 C ATOM 1695 OE1 GLU A 111 -12.644 -12.434 3.150 1.00 0.00 O ATOM 1696 OE2 GLU A 111 -12.100 -13.804 1.520 1.00 0.00 O ATOM 0 H GLU A 111 -9.524 -10.372 0.341 1.00 0.00 H new ATOM 0 HA GLU A 111 -11.875 -8.797 0.371 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -10.601 -10.554 2.505 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -12.242 -9.941 2.560 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -12.814 -11.198 0.527 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -11.159 -11.756 0.378 1.00 0.00 H new ATOM 1703 N LEU A 112 -9.444 -7.894 2.399 1.00 0.00 N ATOM 1704 CA LEU A 112 -8.967 -6.812 3.253 1.00 0.00 C ATOM 1705 C LEU A 112 -9.405 -5.456 2.709 1.00 0.00 C ATOM 1706 O LEU A 112 -8.781 -4.911 1.798 1.00 0.00 O ATOM 1707 CB LEU A 112 -7.443 -6.860 3.368 1.00 0.00 C ATOM 1708 CG LEU A 112 -6.844 -8.202 3.790 1.00 0.00 C ATOM 1709 CD1 LEU A 112 -5.331 -8.182 3.642 1.00 0.00 C ATOM 1710 CD2 LEU A 112 -7.236 -8.534 5.223 1.00 0.00 C ATOM 0 H LEU A 112 -8.765 -8.640 2.245 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.404 -6.944 4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.017 -6.582 2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.129 -6.103 4.086 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.243 -8.977 3.136 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.923 -9.146 3.947 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.070 -7.990 2.601 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.914 -7.396 4.271 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -6.801 -9.492 5.506 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.866 -7.756 5.891 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -8.322 -8.592 5.299 1.00 0.00 H new ATOM 1722 N ASP A 113 -10.480 -4.916 3.273 1.00 0.00 N ATOM 1723 CA ASP A 113 -10.999 -3.622 2.846 1.00 0.00 C ATOM 1724 C ASP A 113 -11.743 -2.933 3.986 1.00 0.00 C ATOM 1725 O ASP A 113 -12.827 -3.362 4.380 1.00 0.00 O ATOM 1726 CB ASP A 113 -11.928 -3.793 1.644 1.00 0.00 C ATOM 1727 CG ASP A 113 -13.215 -4.509 2.003 1.00 0.00 C ATOM 1728 OD1 ASP A 113 -13.178 -5.386 2.892 1.00 0.00 O ATOM 1729 OD2 ASP A 113 -14.259 -4.193 1.396 1.00 0.00 O ATOM 0 H ASP A 113 -11.009 -5.354 4.027 1.00 0.00 H new ATOM 0 HA ASP A 113 -10.155 -2.997 2.556 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -12.165 -2.813 1.229 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -11.410 -4.352 0.865 1.00 0.00 H new ATOM 1734 N GLN A 114 -11.153 -1.865 4.511 1.00 0.00 N ATOM 1735 CA GLN A 114 -11.759 -1.118 5.607 1.00 0.00 C ATOM 1736 C GLN A 114 -13.227 -0.821 5.316 1.00 0.00 C ATOM 1737 O GLN A 114 -14.122 -1.420 5.914 1.00 0.00 O ATOM 1738 CB GLN A 114 -11.000 0.189 5.843 1.00 0.00 C ATOM 1739 CG GLN A 114 -11.570 1.027 6.976 1.00 0.00 C ATOM 1740 CD GLN A 114 -11.298 0.426 8.341 1.00 0.00 C ATOM 1741 OE1 GLN A 114 -10.178 0.490 8.849 1.00 0.00 O ATOM 1742 NE2 GLN A 114 -12.324 -0.163 8.944 1.00 0.00 N ATOM 0 H GLN A 114 -10.256 -1.497 4.195 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.701 -1.731 6.507 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -9.957 -0.040 6.061 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -11.012 0.777 4.925 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -11.142 2.029 6.933 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -12.646 1.134 6.838 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -13.235 -0.193 8.487 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -12.201 -0.585 9.864 1.00 0.00 H new