USER MOD reduce.3.24.130724 H: found=0, std=0, add=593, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 594 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 16 SER OG : rot 80:sc= 1.69 USER MOD Set 1.2: A 55 THR OG1 : rot -121:sc= 0.552 USER MOD Single : A 10 SER OG : rot 180:sc= -0.991 USER MOD Single : A 15 GLN : amide:sc= -0.125 K(o=-0.13,f=-1.9!) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.091) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 150:sc= -2.39! USER MOD Single : A 27 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 MET CE :methyl 166:sc= -2.16 (180deg=-2.4!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -3.1 K(o=-3.1,f=-10!) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 159:sc= -0.325 (180deg=-0.57) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 140:sc= -0.835 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 GLN : amide:sc= -0.12 K(o=-0.12,f=-1.7!) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 HIS :FLIP no HE2:sc= -0.575 F(o=-2,f=-0.57) USER MOD Single : A 69 GLN : amide:sc= -0.271 K(o=-0.27,f=-1.9!) USER MOD Single : A 75 LYS NZ :NH3+ -150:sc= -0.188 (180deg=-0.914) USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 130 N SER A 10 14.446 -3.033 9.411 1.00 0.00 N ATOM 131 CA SER A 10 14.350 -4.476 9.544 1.00 0.00 C ATOM 132 C SER A 10 13.731 -5.099 8.295 1.00 0.00 C ATOM 133 O SER A 10 12.871 -4.496 7.653 1.00 0.00 O ATOM 134 CB SER A 10 13.526 -4.845 10.779 1.00 0.00 C ATOM 135 OG SER A 10 14.016 -6.028 11.385 1.00 0.00 O ATOM 0 HA SER A 10 15.359 -4.872 9.662 1.00 0.00 H new ATOM 0 HB2 SER A 10 13.555 -4.026 11.497 1.00 0.00 H new ATOM 0 HB3 SER A 10 12.483 -4.983 10.496 1.00 0.00 H new ATOM 0 HG SER A 10 13.473 -6.241 12.173 1.00 0.00 H new ATOM 141 N PRO A 11 14.162 -6.320 7.932 1.00 0.00 N ATOM 142 CA PRO A 11 13.645 -7.021 6.753 1.00 0.00 C ATOM 143 C PRO A 11 12.191 -7.449 6.918 1.00 0.00 C ATOM 144 O PRO A 11 11.496 -7.714 5.937 1.00 0.00 O ATOM 145 CB PRO A 11 14.553 -8.244 6.635 1.00 0.00 C ATOM 146 CG PRO A 11 15.053 -8.472 8.016 1.00 0.00 C ATOM 147 CD PRO A 11 15.185 -7.111 8.639 1.00 0.00 C ATOM 0 HA PRO A 11 13.652 -6.383 5.869 1.00 0.00 H new ATOM 0 HB2 PRO A 11 14.006 -9.110 6.263 1.00 0.00 H new ATOM 0 HB3 PRO A 11 15.374 -8.063 5.941 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.362 -9.095 8.583 1.00 0.00 H new ATOM 0 HG3 PRO A 11 16.012 -8.990 8.003 1.00 0.00 H new ATOM 0 HD2 PRO A 11 15.001 -7.140 9.713 1.00 0.00 H new ATOM 0 HD3 PRO A 11 16.184 -6.698 8.497 1.00 0.00 H new ATOM 155 N ASP A 12 11.739 -7.514 8.163 1.00 0.00 N ATOM 156 CA ASP A 12 10.368 -7.908 8.459 1.00 0.00 C ATOM 157 C ASP A 12 9.384 -6.818 8.056 1.00 0.00 C ATOM 158 O ASP A 12 8.211 -7.089 7.802 1.00 0.00 O ATOM 159 CB ASP A 12 10.217 -8.227 9.945 1.00 0.00 C ATOM 160 CG ASP A 12 9.967 -9.700 10.199 1.00 0.00 C ATOM 161 OD1 ASP A 12 8.835 -10.163 9.943 1.00 0.00 O ATOM 162 OD2 ASP A 12 10.902 -10.391 10.656 1.00 0.00 O ATOM 0 H ASP A 12 12.303 -7.299 8.985 1.00 0.00 H new ATOM 0 HA ASP A 12 10.143 -8.802 7.878 1.00 0.00 H new ATOM 0 HB2 ASP A 12 11.119 -7.918 10.473 1.00 0.00 H new ATOM 0 HB3 ASP A 12 9.392 -7.645 10.356 1.00 0.00 H new ATOM 167 N ILE A 13 9.871 -5.587 7.995 1.00 0.00 N ATOM 168 CA ILE A 13 9.039 -4.457 7.618 1.00 0.00 C ATOM 169 C ILE A 13 8.831 -4.427 6.118 1.00 0.00 C ATOM 170 O ILE A 13 7.712 -4.259 5.632 1.00 0.00 O ATOM 171 CB ILE A 13 9.642 -3.124 8.074 1.00 0.00 C ATOM 172 CG1 ILE A 13 10.198 -3.238 9.495 1.00 0.00 C ATOM 173 CG2 ILE A 13 8.602 -2.016 7.992 1.00 0.00 C ATOM 174 CD1 ILE A 13 9.175 -3.703 10.509 1.00 0.00 C ATOM 0 H ILE A 13 10.840 -5.347 8.202 1.00 0.00 H new ATOM 0 HA ILE A 13 8.080 -4.587 8.119 1.00 0.00 H new ATOM 0 HB ILE A 13 10.467 -2.874 7.407 1.00 0.00 H new ATOM 0 HG12 ILE A 13 11.038 -3.933 9.493 1.00 0.00 H new ATOM 0 HG13 ILE A 13 10.588 -2.268 9.803 1.00 0.00 H new ATOM 0 HG21 ILE A 13 9.046 -1.076 8.319 1.00 0.00 H new ATOM 0 HG22 ILE A 13 8.257 -1.916 6.963 1.00 0.00 H new ATOM 0 HG23 ILE A 13 7.757 -2.262 8.635 1.00 0.00 H new ATOM 0 HD11 ILE A 13 9.639 -3.761 11.494 1.00 0.00 H new ATOM 0 HD12 ILE A 13 8.346 -2.996 10.539 1.00 0.00 H new ATOM 0 HD13 ILE A 13 8.803 -4.687 10.225 1.00 0.00 H new ATOM 186 N GLU A 14 9.917 -4.612 5.390 1.00 0.00 N ATOM 187 CA GLU A 14 9.867 -4.631 3.939 1.00 0.00 C ATOM 188 C GLU A 14 9.103 -5.856 3.460 1.00 0.00 C ATOM 189 O GLU A 14 8.537 -5.863 2.366 1.00 0.00 O ATOM 190 CB GLU A 14 11.280 -4.625 3.352 1.00 0.00 C ATOM 191 CG GLU A 14 11.367 -3.971 1.982 1.00 0.00 C ATOM 192 CD GLU A 14 12.792 -3.867 1.475 1.00 0.00 C ATOM 193 OE1 GLU A 14 13.530 -2.981 1.955 1.00 0.00 O ATOM 194 OE2 GLU A 14 13.169 -4.671 0.597 1.00 0.00 O ATOM 0 H GLU A 14 10.848 -4.752 5.782 1.00 0.00 H new ATOM 0 HA GLU A 14 9.349 -3.735 3.597 1.00 0.00 H new ATOM 0 HB2 GLU A 14 11.947 -4.103 4.038 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.638 -5.652 3.279 1.00 0.00 H new ATOM 0 HG2 GLU A 14 10.773 -4.545 1.271 1.00 0.00 H new ATOM 0 HG3 GLU A 14 10.929 -2.974 2.031 1.00 0.00 H new ATOM 201 N GLN A 15 9.082 -6.889 4.296 1.00 0.00 N ATOM 202 CA GLN A 15 8.381 -8.115 3.975 1.00 0.00 C ATOM 203 C GLN A 15 6.889 -7.936 4.157 1.00 0.00 C ATOM 204 O GLN A 15 6.091 -8.304 3.295 1.00 0.00 O ATOM 205 CB GLN A 15 8.892 -9.246 4.840 1.00 0.00 C ATOM 206 CG GLN A 15 10.006 -10.026 4.178 1.00 0.00 C ATOM 207 CD GLN A 15 9.492 -11.112 3.252 1.00 0.00 C ATOM 208 OE1 GLN A 15 8.314 -11.467 3.286 1.00 0.00 O ATOM 209 NE2 GLN A 15 10.377 -11.644 2.417 1.00 0.00 N ATOM 0 H GLN A 15 9.547 -6.895 5.204 1.00 0.00 H new ATOM 0 HA GLN A 15 8.568 -8.363 2.930 1.00 0.00 H new ATOM 0 HB2 GLN A 15 9.249 -8.841 5.787 1.00 0.00 H new ATOM 0 HB3 GLN A 15 8.069 -9.921 5.072 1.00 0.00 H new ATOM 0 HG2 GLN A 15 10.637 -9.341 3.612 1.00 0.00 H new ATOM 0 HG3 GLN A 15 10.634 -10.477 4.946 1.00 0.00 H new ATOM 0 HE21 GLN A 15 11.344 -11.319 2.423 1.00 0.00 H new ATOM 0 HE22 GLN A 15 10.090 -12.378 1.769 1.00 0.00 H new ATOM 218 N SER A 16 6.523 -7.342 5.280 1.00 0.00 N ATOM 219 CA SER A 16 5.128 -7.078 5.580 1.00 0.00 C ATOM 220 C SER A 16 4.571 -6.060 4.592 1.00 0.00 C ATOM 221 O SER A 16 3.359 -5.960 4.399 1.00 0.00 O ATOM 222 CB SER A 16 4.974 -6.565 7.012 1.00 0.00 C ATOM 223 OG SER A 16 5.622 -7.424 7.935 1.00 0.00 O ATOM 0 H SER A 16 7.176 -7.033 6.000 1.00 0.00 H new ATOM 0 HA SER A 16 4.567 -8.008 5.488 1.00 0.00 H new ATOM 0 HB2 SER A 16 5.393 -5.562 7.089 1.00 0.00 H new ATOM 0 HB3 SER A 16 3.916 -6.489 7.262 1.00 0.00 H new ATOM 0 HG SER A 16 6.584 -7.238 7.935 1.00 0.00 H new ATOM 229 N PHE A 17 5.474 -5.310 3.962 1.00 0.00 N ATOM 230 CA PHE A 17 5.089 -4.304 2.988 1.00 0.00 C ATOM 231 C PHE A 17 4.563 -4.956 1.722 1.00 0.00 C ATOM 232 O PHE A 17 3.578 -4.503 1.139 1.00 0.00 O ATOM 233 CB PHE A 17 6.275 -3.399 2.663 1.00 0.00 C ATOM 234 CG PHE A 17 6.081 -1.972 3.089 1.00 0.00 C ATOM 235 CD1 PHE A 17 5.655 -1.670 4.372 1.00 0.00 C ATOM 236 CD2 PHE A 17 6.326 -0.933 2.206 1.00 0.00 C ATOM 237 CE1 PHE A 17 5.477 -0.358 4.767 1.00 0.00 C ATOM 238 CE2 PHE A 17 6.150 0.381 2.595 1.00 0.00 C ATOM 239 CZ PHE A 17 5.725 0.668 3.877 1.00 0.00 C ATOM 0 H PHE A 17 6.480 -5.385 4.113 1.00 0.00 H new ATOM 0 HA PHE A 17 4.292 -3.697 3.419 1.00 0.00 H new ATOM 0 HB2 PHE A 17 7.167 -3.796 3.148 1.00 0.00 H new ATOM 0 HB3 PHE A 17 6.458 -3.426 1.589 1.00 0.00 H new ATOM 0 HD1 PHE A 17 5.460 -2.469 5.072 1.00 0.00 H new ATOM 0 HD2 PHE A 17 6.658 -1.153 1.202 1.00 0.00 H new ATOM 0 HE1 PHE A 17 5.144 -0.135 5.770 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.345 1.182 1.898 1.00 0.00 H new ATOM 0 HZ PHE A 17 5.587 1.694 4.183 1.00 0.00 H new ATOM 249 N GLN A 18 5.220 -6.027 1.306 1.00 0.00 N ATOM 250 CA GLN A 18 4.806 -6.744 0.111 1.00 0.00 C ATOM 251 C GLN A 18 3.472 -7.432 0.345 1.00 0.00 C ATOM 252 O GLN A 18 2.676 -7.602 -0.577 1.00 0.00 O ATOM 253 CB GLN A 18 5.855 -7.775 -0.308 1.00 0.00 C ATOM 254 CG GLN A 18 5.349 -8.756 -1.356 1.00 0.00 C ATOM 255 CD GLN A 18 6.469 -9.526 -2.028 1.00 0.00 C ATOM 256 OE1 GLN A 18 7.450 -9.905 -1.387 1.00 0.00 O ATOM 257 NE2 GLN A 18 6.330 -9.760 -3.328 1.00 0.00 N ATOM 0 H GLN A 18 6.037 -6.417 1.775 1.00 0.00 H new ATOM 0 HA GLN A 18 4.700 -6.017 -0.694 1.00 0.00 H new ATOM 0 HB2 GLN A 18 6.730 -7.255 -0.699 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.181 -8.330 0.572 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.661 -9.459 -0.887 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.783 -8.213 -2.112 1.00 0.00 H new ATOM 0 HE21 GLN A 18 5.501 -9.428 -3.820 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.053 -10.272 -3.834 1.00 0.00 H new ATOM 266 N GLU A 19 3.238 -7.830 1.584 1.00 0.00 N ATOM 267 CA GLU A 19 2.003 -8.503 1.943 1.00 0.00 C ATOM 268 C GLU A 19 0.827 -7.549 1.842 1.00 0.00 C ATOM 269 O GLU A 19 -0.281 -7.950 1.493 1.00 0.00 O ATOM 270 CB GLU A 19 2.099 -9.090 3.348 1.00 0.00 C ATOM 271 CG GLU A 19 1.926 -10.600 3.390 1.00 0.00 C ATOM 272 CD GLU A 19 3.097 -11.337 2.771 1.00 0.00 C ATOM 273 OE1 GLU A 19 3.062 -11.586 1.547 1.00 0.00 O ATOM 274 OE2 GLU A 19 4.050 -11.666 3.509 1.00 0.00 O ATOM 0 H GLU A 19 3.888 -7.698 2.359 1.00 0.00 H new ATOM 0 HA GLU A 19 1.842 -9.321 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 19 3.068 -8.832 3.775 1.00 0.00 H new ATOM 0 HB3 GLU A 19 1.339 -8.628 3.978 1.00 0.00 H new ATOM 0 HG2 GLU A 19 1.806 -10.920 4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 19 1.011 -10.872 2.864 1.00 0.00 H new ATOM 281 N ALA A 20 1.079 -6.283 2.134 1.00 0.00 N ATOM 282 CA ALA A 20 0.044 -5.270 2.060 1.00 0.00 C ATOM 283 C ALA A 20 -0.098 -4.764 0.635 1.00 0.00 C ATOM 284 O ALA A 20 -1.187 -4.389 0.198 1.00 0.00 O ATOM 285 CB ALA A 20 0.343 -4.124 3.014 1.00 0.00 C ATOM 0 H ALA A 20 1.993 -5.934 2.424 1.00 0.00 H new ATOM 0 HA ALA A 20 -0.902 -5.720 2.361 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -0.446 -3.375 2.942 1.00 0.00 H new ATOM 0 HB2 ALA A 20 0.391 -4.503 4.035 1.00 0.00 H new ATOM 0 HB3 ALA A 20 1.298 -3.671 2.750 1.00 0.00 H new ATOM 291 N LEU A 21 1.011 -4.772 -0.089 1.00 0.00 N ATOM 292 CA LEU A 21 1.024 -4.334 -1.471 1.00 0.00 C ATOM 293 C LEU A 21 0.549 -5.455 -2.385 1.00 0.00 C ATOM 294 O LEU A 21 -0.008 -5.207 -3.454 1.00 0.00 O ATOM 295 CB LEU A 21 2.423 -3.873 -1.874 1.00 0.00 C ATOM 296 CG LEU A 21 2.523 -2.407 -2.298 1.00 0.00 C ATOM 297 CD1 LEU A 21 1.599 -2.127 -3.473 1.00 0.00 C ATOM 298 CD2 LEU A 21 2.195 -1.491 -1.128 1.00 0.00 C ATOM 0 H LEU A 21 1.918 -5.080 0.263 1.00 0.00 H new ATOM 0 HA LEU A 21 0.342 -3.490 -1.573 1.00 0.00 H new ATOM 0 HB2 LEU A 21 3.100 -4.040 -1.036 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.773 -4.498 -2.696 1.00 0.00 H new ATOM 0 HG LEU A 21 3.547 -2.208 -2.613 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.684 -1.079 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.880 -2.759 -4.316 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.570 -2.342 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.271 -0.452 -1.447 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.181 -1.691 -0.782 1.00 0.00 H new ATOM 0 HD23 LEU A 21 2.898 -1.673 -0.315 1.00 0.00 H new ATOM 310 N SER A 22 0.764 -6.691 -1.948 1.00 0.00 N ATOM 311 CA SER A 22 0.350 -7.852 -2.713 1.00 0.00 C ATOM 312 C SER A 22 -1.133 -8.114 -2.510 1.00 0.00 C ATOM 313 O SER A 22 -1.828 -8.576 -3.414 1.00 0.00 O ATOM 314 CB SER A 22 1.163 -9.083 -2.307 1.00 0.00 C ATOM 315 OG SER A 22 0.874 -10.186 -3.148 1.00 0.00 O ATOM 0 H SER A 22 1.224 -6.911 -1.065 1.00 0.00 H new ATOM 0 HA SER A 22 0.531 -7.651 -3.769 1.00 0.00 H new ATOM 0 HB2 SER A 22 2.227 -8.852 -2.357 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.942 -9.343 -1.272 1.00 0.00 H new ATOM 0 HG SER A 22 1.407 -10.959 -2.868 1.00 0.00 H new ATOM 321 N ILE A 23 -1.609 -7.806 -1.311 1.00 0.00 N ATOM 322 CA ILE A 23 -3.011 -7.997 -0.975 1.00 0.00 C ATOM 323 C ILE A 23 -3.872 -6.872 -1.549 1.00 0.00 C ATOM 324 O ILE A 23 -5.075 -7.038 -1.750 1.00 0.00 O ATOM 325 CB ILE A 23 -3.212 -8.098 0.555 1.00 0.00 C ATOM 326 CG1 ILE A 23 -3.390 -9.560 0.970 1.00 0.00 C ATOM 327 CG2 ILE A 23 -4.398 -7.264 1.025 1.00 0.00 C ATOM 328 CD1 ILE A 23 -2.123 -10.379 0.853 1.00 0.00 C ATOM 0 H ILE A 23 -1.043 -7.422 -0.555 1.00 0.00 H new ATOM 0 HA ILE A 23 -3.329 -8.938 -1.424 1.00 0.00 H new ATOM 0 HB ILE A 23 -2.319 -7.697 1.034 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.743 -9.597 2.001 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -4.165 -10.013 0.352 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -4.506 -7.361 2.105 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -4.231 -6.218 0.770 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -5.307 -7.616 0.536 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -2.323 -11.405 1.163 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -1.780 -10.373 -0.182 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -1.352 -9.950 1.493 1.00 0.00 H new ATOM 340 N TYR A 24 -3.247 -5.728 -1.808 1.00 0.00 N ATOM 341 CA TYR A 24 -3.949 -4.580 -2.354 1.00 0.00 C ATOM 342 C TYR A 24 -3.274 -4.069 -3.624 1.00 0.00 C ATOM 343 O TYR A 24 -2.526 -3.092 -3.589 1.00 0.00 O ATOM 344 CB TYR A 24 -4.028 -3.465 -1.323 1.00 0.00 C ATOM 345 CG TYR A 24 -4.706 -3.871 -0.034 1.00 0.00 C ATOM 346 CD1 TYR A 24 -5.860 -4.644 -0.047 1.00 0.00 C ATOM 347 CD2 TYR A 24 -4.190 -3.480 1.194 1.00 0.00 C ATOM 348 CE1 TYR A 24 -6.481 -5.017 1.130 1.00 0.00 C ATOM 349 CE2 TYR A 24 -4.805 -3.849 2.376 1.00 0.00 C ATOM 350 CZ TYR A 24 -5.950 -4.617 2.338 1.00 0.00 C ATOM 351 OH TYR A 24 -6.565 -4.987 3.512 1.00 0.00 O ATOM 0 H TYR A 24 -2.252 -5.575 -1.647 1.00 0.00 H new ATOM 0 HA TYR A 24 -4.959 -4.901 -2.610 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -3.019 -3.119 -1.098 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -4.566 -2.621 -1.755 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -6.279 -4.958 -0.992 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -3.294 -2.878 1.227 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -7.378 -5.619 1.104 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -4.391 -3.538 3.324 1.00 0.00 H new ATOM 0 HH TYR A 24 -5.894 -5.069 4.221 1.00 0.00 H new ATOM 361 N PRO A 25 -3.532 -4.725 -4.768 1.00 0.00 N ATOM 362 CA PRO A 25 -2.956 -4.342 -6.048 1.00 0.00 C ATOM 363 C PRO A 25 -3.782 -3.266 -6.752 1.00 0.00 C ATOM 364 O PRO A 25 -5.005 -3.230 -6.623 1.00 0.00 O ATOM 365 CB PRO A 25 -2.974 -5.647 -6.856 1.00 0.00 C ATOM 366 CG PRO A 25 -3.811 -6.623 -6.083 1.00 0.00 C ATOM 367 CD PRO A 25 -4.404 -5.889 -4.911 1.00 0.00 C ATOM 0 HA PRO A 25 -1.961 -3.912 -5.935 1.00 0.00 H new ATOM 0 HB2 PRO A 25 -3.391 -5.481 -7.849 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -1.963 -6.030 -6.995 1.00 0.00 H new ATOM 0 HG2 PRO A 25 -4.598 -7.036 -6.714 1.00 0.00 H new ATOM 0 HG3 PRO A 25 -3.204 -7.461 -5.742 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -5.437 -5.597 -5.100 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -4.406 -6.503 -4.011 1.00 0.00 H new ATOM 375 N PRO A 26 -3.122 -2.369 -7.507 1.00 0.00 N ATOM 376 CA PRO A 26 -3.805 -1.291 -8.228 1.00 0.00 C ATOM 377 C PRO A 26 -4.857 -1.814 -9.194 1.00 0.00 C ATOM 378 O PRO A 26 -6.055 -1.606 -9.004 1.00 0.00 O ATOM 379 CB PRO A 26 -2.680 -0.582 -8.992 1.00 0.00 C ATOM 380 CG PRO A 26 -1.533 -1.532 -8.979 1.00 0.00 C ATOM 381 CD PRO A 26 -1.668 -2.333 -7.718 1.00 0.00 C ATOM 0 HA PRO A 26 -4.345 -0.635 -7.546 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.985 -0.348 -10.012 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.414 0.361 -8.514 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -1.554 -2.179 -9.856 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.584 -0.997 -9.000 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.251 -3.334 -7.828 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.150 -1.862 -6.883 1.00 0.00 H new ATOM 389 N CYS A 27 -4.394 -2.492 -10.229 1.00 0.00 N ATOM 390 CA CYS A 27 -5.278 -3.054 -11.240 1.00 0.00 C ATOM 391 C CYS A 27 -6.072 -4.230 -10.680 1.00 0.00 C ATOM 392 O CYS A 27 -5.691 -4.825 -9.672 1.00 0.00 O ATOM 393 CB CYS A 27 -4.473 -3.495 -12.460 1.00 0.00 C ATOM 394 SG CYS A 27 -4.895 -2.613 -13.981 1.00 0.00 S ATOM 0 H CYS A 27 -3.403 -2.669 -10.394 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.984 -2.280 -11.542 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -3.412 -3.353 -12.253 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -4.627 -4.563 -12.617 1.00 0.00 H new ATOM 0 HG CYS A 27 -4.159 -3.055 -14.957 1.00 0.00 H new ATOM 400 N GLY A 28 -7.175 -4.562 -11.343 1.00 0.00 N ATOM 401 CA GLY A 28 -8.005 -5.667 -10.898 1.00 0.00 C ATOM 402 C GLY A 28 -9.467 -5.285 -10.782 1.00 0.00 C ATOM 403 O GLY A 28 -10.348 -6.050 -11.175 1.00 0.00 O ATOM 0 H GLY A 28 -7.509 -4.086 -12.181 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.904 -6.497 -11.597 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -7.647 -6.019 -9.931 1.00 0.00 H new ATOM 407 N ARG A 29 -9.727 -4.098 -10.242 1.00 0.00 N ATOM 408 CA ARG A 29 -11.089 -3.616 -10.078 1.00 0.00 C ATOM 409 C ARG A 29 -11.116 -2.098 -9.928 1.00 0.00 C ATOM 410 O ARG A 29 -10.202 -1.505 -9.356 1.00 0.00 O ATOM 411 CB ARG A 29 -11.745 -4.274 -8.862 1.00 0.00 C ATOM 412 CG ARG A 29 -12.124 -5.728 -9.089 1.00 0.00 C ATOM 413 CD ARG A 29 -13.025 -6.248 -7.980 1.00 0.00 C ATOM 414 NE ARG A 29 -13.606 -7.547 -8.310 1.00 0.00 N ATOM 415 CZ ARG A 29 -12.916 -8.685 -8.328 1.00 0.00 C ATOM 416 NH1 ARG A 29 -11.622 -8.689 -8.034 1.00 0.00 N ATOM 417 NH2 ARG A 29 -13.522 -9.822 -8.640 1.00 0.00 N ATOM 0 H ARG A 29 -9.009 -3.453 -9.911 1.00 0.00 H new ATOM 0 HA ARG A 29 -11.651 -3.884 -10.973 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -11.063 -4.213 -8.014 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -12.639 -3.712 -8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -12.632 -5.827 -10.048 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -11.221 -6.337 -9.141 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -12.452 -6.331 -7.057 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -13.824 -5.530 -7.796 1.00 0.00 H new ATOM 0 HE ARG A 29 -14.599 -7.584 -8.540 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -11.151 -7.817 -7.793 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -11.098 -9.564 -8.049 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -14.517 -9.824 -8.866 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -12.994 -10.694 -8.654 1.00 0.00 H new ATOM 431 N ARG A 30 -12.170 -1.477 -10.445 1.00 0.00 N ATOM 432 CA ARG A 30 -12.317 -0.028 -10.367 1.00 0.00 C ATOM 433 C ARG A 30 -12.361 0.436 -8.915 1.00 0.00 C ATOM 434 O ARG A 30 -13.123 -0.094 -8.107 1.00 0.00 O ATOM 435 CB ARG A 30 -13.586 0.417 -11.096 1.00 0.00 C ATOM 436 CG ARG A 30 -13.580 1.886 -11.486 1.00 0.00 C ATOM 437 CD ARG A 30 -14.992 2.425 -11.648 1.00 0.00 C ATOM 438 NE ARG A 30 -15.557 2.097 -12.955 1.00 0.00 N ATOM 439 CZ ARG A 30 -15.244 2.736 -14.080 1.00 0.00 C ATOM 440 NH1 ARG A 30 -14.372 3.736 -14.062 1.00 0.00 N ATOM 441 NH2 ARG A 30 -15.804 2.373 -15.226 1.00 0.00 N ATOM 0 H ARG A 30 -12.935 -1.954 -10.922 1.00 0.00 H new ATOM 0 HA ARG A 30 -11.452 0.427 -10.849 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.710 -0.188 -11.994 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -14.448 0.222 -10.458 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -13.054 2.463 -10.726 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.031 2.014 -12.419 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -15.629 2.014 -10.864 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -14.984 3.507 -11.518 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.231 1.333 -13.008 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.938 4.018 -13.183 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.136 4.222 -14.927 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -16.474 1.604 -15.245 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -15.564 2.862 -16.088 1.00 0.00 H new ATOM 455 N LYS A 31 -11.539 1.429 -8.590 1.00 0.00 N ATOM 456 CA LYS A 31 -11.484 1.963 -7.235 1.00 0.00 C ATOM 457 C LYS A 31 -12.846 2.500 -6.804 1.00 0.00 C ATOM 458 O LYS A 31 -13.587 3.060 -7.612 1.00 0.00 O ATOM 459 CB LYS A 31 -10.434 3.072 -7.144 1.00 0.00 C ATOM 460 CG LYS A 31 -10.754 4.285 -8.002 1.00 0.00 C ATOM 461 CD LYS A 31 -10.306 5.575 -7.333 1.00 0.00 C ATOM 462 CE LYS A 31 -8.954 6.032 -7.854 1.00 0.00 C ATOM 463 NZ LYS A 31 -9.088 7.068 -8.916 1.00 0.00 N ATOM 0 H LYS A 31 -10.902 1.880 -9.247 1.00 0.00 H new ATOM 0 HA LYS A 31 -11.205 1.151 -6.563 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -10.340 3.387 -6.105 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -9.466 2.670 -7.444 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.263 4.187 -8.970 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -11.827 4.325 -8.191 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -11.047 6.354 -7.510 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -10.250 5.427 -6.255 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -8.364 6.432 -7.029 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -8.409 5.175 -8.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.143 7.353 -9.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -9.629 6.679 -9.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.585 7.897 -8.532 1.00 0.00 H new ATOM 477 N ILE A 32 -13.169 2.322 -5.528 1.00 0.00 N ATOM 478 CA ILE A 32 -14.431 2.780 -4.986 1.00 0.00 C ATOM 479 C ILE A 32 -14.483 4.303 -4.918 1.00 0.00 C ATOM 480 O ILE A 32 -13.533 4.983 -5.307 1.00 0.00 O ATOM 481 CB ILE A 32 -14.662 2.203 -3.579 1.00 0.00 C ATOM 482 CG1 ILE A 32 -13.401 2.346 -2.722 1.00 0.00 C ATOM 483 CG2 ILE A 32 -15.090 0.746 -3.665 1.00 0.00 C ATOM 484 CD1 ILE A 32 -13.669 2.264 -1.235 1.00 0.00 C ATOM 0 H ILE A 32 -12.565 1.859 -4.849 1.00 0.00 H new ATOM 0 HA ILE A 32 -15.217 2.429 -5.655 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.463 2.769 -3.103 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -12.693 1.565 -2.999 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -12.926 3.301 -2.945 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -15.249 0.354 -2.661 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -16.016 0.672 -4.234 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -14.312 0.167 -4.162 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -12.731 2.373 -0.690 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -14.353 3.061 -0.944 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -14.116 1.298 -0.999 1.00 0.00 H new ATOM 496 N ILE A 33 -15.596 4.832 -4.422 1.00 0.00 N ATOM 497 CA ILE A 33 -15.769 6.274 -4.305 1.00 0.00 C ATOM 498 C ILE A 33 -17.044 6.608 -3.526 1.00 0.00 C ATOM 499 O ILE A 33 -18.128 6.123 -3.852 1.00 0.00 O ATOM 500 CB ILE A 33 -15.789 6.945 -5.703 1.00 0.00 C ATOM 501 CG1 ILE A 33 -15.024 8.271 -5.669 1.00 0.00 C ATOM 502 CG2 ILE A 33 -17.213 7.156 -6.206 1.00 0.00 C ATOM 503 CD1 ILE A 33 -15.663 9.324 -4.791 1.00 0.00 C ATOM 0 H ILE A 33 -16.391 4.284 -4.095 1.00 0.00 H new ATOM 0 HA ILE A 33 -14.918 6.671 -3.751 1.00 0.00 H new ATOM 0 HB ILE A 33 -15.293 6.272 -6.402 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -14.009 8.085 -5.317 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -14.943 8.659 -6.684 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -17.186 7.628 -7.188 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -17.719 6.193 -6.280 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -17.753 7.797 -5.510 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -15.063 10.234 -4.819 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -16.668 9.540 -5.155 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -15.719 8.958 -3.766 1.00 0.00 H new ATOM 515 N LEU A 34 -16.900 7.428 -2.487 1.00 0.00 N ATOM 516 CA LEU A 34 -18.030 7.820 -1.645 1.00 0.00 C ATOM 517 C LEU A 34 -19.251 8.212 -2.474 1.00 0.00 C ATOM 518 O LEU A 34 -20.390 8.042 -2.040 1.00 0.00 O ATOM 519 CB LEU A 34 -17.628 8.973 -0.727 1.00 0.00 C ATOM 520 CG LEU A 34 -17.677 8.657 0.769 1.00 0.00 C ATOM 521 CD1 LEU A 34 -16.541 9.355 1.501 1.00 0.00 C ATOM 522 CD2 LEU A 34 -19.021 9.064 1.355 1.00 0.00 C ATOM 0 H LEU A 34 -16.008 7.836 -2.207 1.00 0.00 H new ATOM 0 HA LEU A 34 -18.305 6.954 -1.042 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -16.616 9.286 -0.984 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -18.284 9.821 -0.925 1.00 0.00 H new ATOM 0 HG LEU A 34 -17.557 7.581 0.898 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -16.593 9.118 2.564 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -15.586 9.015 1.100 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -16.629 10.433 1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -19.039 8.832 2.420 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -19.170 10.135 1.214 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -19.818 8.517 0.851 1.00 0.00 H new ATOM 534 N SER A 35 -19.005 8.737 -3.664 1.00 0.00 N ATOM 535 CA SER A 35 -20.085 9.155 -4.552 1.00 0.00 C ATOM 536 C SER A 35 -21.019 7.991 -4.874 1.00 0.00 C ATOM 537 O SER A 35 -22.167 8.195 -5.269 1.00 0.00 O ATOM 538 CB SER A 35 -19.520 9.745 -5.843 1.00 0.00 C ATOM 539 OG SER A 35 -19.907 11.099 -5.997 1.00 0.00 O ATOM 0 H SER A 35 -18.068 8.885 -4.040 1.00 0.00 H new ATOM 0 HA SER A 35 -20.661 9.922 -4.034 1.00 0.00 H new ATOM 0 HB2 SER A 35 -18.432 9.673 -5.834 1.00 0.00 H new ATOM 0 HB3 SER A 35 -19.871 9.164 -6.696 1.00 0.00 H new ATOM 0 HG SER A 35 -19.531 11.454 -6.830 1.00 0.00 H new ATOM 545 N ASP A 36 -20.521 6.771 -4.704 1.00 0.00 N ATOM 546 CA ASP A 36 -21.306 5.580 -4.976 1.00 0.00 C ATOM 547 C ASP A 36 -21.521 4.761 -3.706 1.00 0.00 C ATOM 548 O ASP A 36 -22.616 4.745 -3.144 1.00 0.00 O ATOM 549 CB ASP A 36 -20.621 4.724 -6.044 1.00 0.00 C ATOM 550 CG ASP A 36 -21.335 4.787 -7.380 1.00 0.00 C ATOM 551 OD1 ASP A 36 -21.102 5.756 -8.133 1.00 0.00 O ATOM 552 OD2 ASP A 36 -22.126 3.866 -7.674 1.00 0.00 O ATOM 0 H ASP A 36 -19.573 6.584 -4.378 1.00 0.00 H new ATOM 0 HA ASP A 36 -22.281 5.897 -5.346 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -19.591 5.059 -6.169 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -20.580 3.689 -5.705 1.00 0.00 H new ATOM 557 N GLU A 37 -20.470 4.080 -3.261 1.00 0.00 N ATOM 558 CA GLU A 37 -20.544 3.256 -2.062 1.00 0.00 C ATOM 559 C GLU A 37 -20.728 4.110 -0.812 1.00 0.00 C ATOM 560 O GLU A 37 -21.270 3.650 0.193 1.00 0.00 O ATOM 561 CB GLU A 37 -19.289 2.396 -1.931 1.00 0.00 C ATOM 562 CG GLU A 37 -19.566 0.905 -1.981 1.00 0.00 C ATOM 563 CD GLU A 37 -19.151 0.189 -0.710 1.00 0.00 C ATOM 564 OE1 GLU A 37 -17.967 -0.194 -0.605 1.00 0.00 O ATOM 565 OE2 GLU A 37 -20.010 0.012 0.179 1.00 0.00 O ATOM 0 H GLU A 37 -19.556 4.083 -3.714 1.00 0.00 H new ATOM 0 HA GLU A 37 -21.414 2.606 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -18.596 2.655 -2.731 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -18.793 2.633 -0.990 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -20.630 0.743 -2.153 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -19.036 0.469 -2.828 1.00 0.00 H new ATOM 572 N GLY A 38 -20.273 5.354 -0.882 1.00 0.00 N ATOM 573 CA GLY A 38 -20.394 6.254 0.250 1.00 0.00 C ATOM 574 C GLY A 38 -19.674 5.744 1.484 1.00 0.00 C ATOM 575 O GLY A 38 -19.928 6.209 2.595 1.00 0.00 O ATOM 0 H GLY A 38 -19.822 5.757 -1.703 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -19.992 7.230 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -21.449 6.398 0.483 1.00 0.00 H new ATOM 579 N LYS A 39 -18.762 4.798 1.287 1.00 0.00 N ATOM 580 CA LYS A 39 -17.994 4.239 2.378 1.00 0.00 C ATOM 581 C LYS A 39 -16.592 3.887 1.904 1.00 0.00 C ATOM 582 O LYS A 39 -16.339 2.777 1.437 1.00 0.00 O ATOM 583 CB LYS A 39 -18.687 2.999 2.945 1.00 0.00 C ATOM 584 CG LYS A 39 -19.747 3.317 3.986 1.00 0.00 C ATOM 585 CD LYS A 39 -20.431 2.056 4.488 1.00 0.00 C ATOM 586 CE LYS A 39 -21.642 1.703 3.639 1.00 0.00 C ATOM 587 NZ LYS A 39 -22.369 0.519 4.172 1.00 0.00 N ATOM 0 H LYS A 39 -18.540 4.404 0.373 1.00 0.00 H new ATOM 0 HA LYS A 39 -17.923 4.985 3.169 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -19.148 2.445 2.127 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -17.937 2.346 3.390 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -19.289 3.842 4.824 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -20.490 3.989 3.557 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -19.723 1.227 4.476 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -20.740 2.196 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -22.319 2.557 3.600 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -21.322 1.502 2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -23.187 0.312 3.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -21.731 -0.303 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -22.697 0.719 5.138 1.00 0.00 H new ATOM 601 N MET A 40 -15.688 4.841 2.038 1.00 0.00 N ATOM 602 CA MET A 40 -14.306 4.651 1.639 1.00 0.00 C ATOM 603 C MET A 40 -13.374 5.471 2.522 1.00 0.00 C ATOM 604 O MET A 40 -13.015 6.600 2.189 1.00 0.00 O ATOM 605 CB MET A 40 -14.115 5.035 0.170 1.00 0.00 C ATOM 606 CG MET A 40 -14.461 6.485 -0.130 1.00 0.00 C ATOM 607 SD MET A 40 -13.020 7.462 -0.605 1.00 0.00 S ATOM 608 CE MET A 40 -13.806 8.856 -1.409 1.00 0.00 C ATOM 0 H MET A 40 -15.890 5.763 2.424 1.00 0.00 H new ATOM 0 HA MET A 40 -14.059 3.596 1.760 1.00 0.00 H new ATOM 0 HB2 MET A 40 -13.079 4.851 -0.113 1.00 0.00 H new ATOM 0 HB3 MET A 40 -14.734 4.387 -0.450 1.00 0.00 H new ATOM 0 HG2 MET A 40 -15.198 6.520 -0.932 1.00 0.00 H new ATOM 0 HG3 MET A 40 -14.925 6.933 0.749 1.00 0.00 H new ATOM 0 HE1 MET A 40 -13.080 9.659 -1.536 1.00 0.00 H new ATOM 0 HE2 MET A 40 -14.182 8.549 -2.385 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.635 9.209 -0.796 1.00 0.00 H new ATOM 618 N TYR A 41 -12.987 4.891 3.650 1.00 0.00 N ATOM 619 CA TYR A 41 -12.096 5.558 4.588 1.00 0.00 C ATOM 620 C TYR A 41 -10.688 5.674 4.014 1.00 0.00 C ATOM 621 O TYR A 41 -10.443 5.301 2.866 1.00 0.00 O ATOM 622 CB TYR A 41 -12.062 4.803 5.915 1.00 0.00 C ATOM 623 CG TYR A 41 -12.570 5.612 7.087 1.00 0.00 C ATOM 624 CD1 TYR A 41 -13.927 5.859 7.249 1.00 0.00 C ATOM 625 CD2 TYR A 41 -11.692 6.129 8.031 1.00 0.00 C ATOM 626 CE1 TYR A 41 -14.395 6.598 8.319 1.00 0.00 C ATOM 627 CE2 TYR A 41 -12.152 6.869 9.103 1.00 0.00 C ATOM 628 CZ TYR A 41 -13.504 7.101 9.243 1.00 0.00 C ATOM 629 OH TYR A 41 -13.966 7.837 10.309 1.00 0.00 O ATOM 0 H TYR A 41 -13.278 3.957 3.938 1.00 0.00 H new ATOM 0 HA TYR A 41 -12.479 6.564 4.762 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.661 3.897 5.823 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -11.038 4.489 6.118 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -14.628 5.467 6.527 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.632 5.950 7.925 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -15.454 6.781 8.431 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -11.456 7.264 9.828 1.00 0.00 H new ATOM 0 HH TYR A 41 -13.210 8.116 10.866 1.00 0.00 H new ATOM 639 N GLY A 42 -9.765 6.192 4.818 1.00 0.00 N ATOM 640 CA GLY A 42 -8.392 6.346 4.371 1.00 0.00 C ATOM 641 C GLY A 42 -7.787 5.039 3.896 1.00 0.00 C ATOM 642 O GLY A 42 -7.527 4.141 4.697 1.00 0.00 O ATOM 0 H GLY A 42 -9.943 6.508 5.771 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -8.356 7.075 3.561 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.790 6.746 5.187 1.00 0.00 H new ATOM 646 N ARG A 43 -7.566 4.931 2.590 1.00 0.00 N ATOM 647 CA ARG A 43 -6.991 3.723 2.009 1.00 0.00 C ATOM 648 C ARG A 43 -5.632 3.408 2.624 1.00 0.00 C ATOM 649 O ARG A 43 -5.212 2.252 2.667 1.00 0.00 O ATOM 650 CB ARG A 43 -6.862 3.873 0.495 1.00 0.00 C ATOM 651 CG ARG A 43 -7.684 2.863 -0.289 1.00 0.00 C ATOM 652 CD ARG A 43 -9.021 3.445 -0.717 1.00 0.00 C ATOM 653 NE ARG A 43 -9.525 2.820 -1.937 1.00 0.00 N ATOM 654 CZ ARG A 43 -9.973 1.567 -1.998 1.00 0.00 C ATOM 655 NH1 ARG A 43 -9.980 0.805 -0.911 1.00 0.00 N ATOM 656 NH2 ARG A 43 -10.414 1.076 -3.148 1.00 0.00 N ATOM 0 H ARG A 43 -7.776 5.665 1.914 1.00 0.00 H new ATOM 0 HA ARG A 43 -7.662 2.892 2.228 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -7.170 4.879 0.210 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -5.813 3.770 0.216 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -7.126 2.544 -1.169 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -7.851 1.976 0.322 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -9.747 3.312 0.085 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -8.915 4.518 -0.877 1.00 0.00 H new ATOM 0 HE ARG A 43 -9.535 3.375 -2.792 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -9.641 1.178 -0.024 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -10.324 -0.154 -0.963 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -10.410 1.658 -3.986 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -10.757 0.117 -3.195 1.00 0.00 H new ATOM 670 N ASN A 44 -4.953 4.443 3.098 1.00 0.00 N ATOM 671 CA ASN A 44 -3.642 4.281 3.711 1.00 0.00 C ATOM 672 C ASN A 44 -3.751 3.594 5.067 1.00 0.00 C ATOM 673 O ASN A 44 -2.811 2.944 5.524 1.00 0.00 O ATOM 674 CB ASN A 44 -2.954 5.637 3.860 1.00 0.00 C ATOM 675 CG ASN A 44 -1.686 5.739 3.034 1.00 0.00 C ATOM 676 OD1 ASN A 44 -1.390 4.867 2.217 1.00 0.00 O ATOM 677 ND2 ASN A 44 -0.929 6.810 3.243 1.00 0.00 N ATOM 0 H ASN A 44 -5.289 5.406 3.070 1.00 0.00 H new ATOM 0 HA ASN A 44 -3.041 3.649 3.058 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -3.644 6.426 3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -2.714 5.806 4.910 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -0.064 6.934 2.716 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -1.212 7.509 3.930 1.00 0.00 H new ATOM 684 N GLU A 45 -4.904 3.742 5.704 1.00 0.00 N ATOM 685 CA GLU A 45 -5.140 3.135 7.005 1.00 0.00 C ATOM 686 C GLU A 45 -5.360 1.633 6.871 1.00 0.00 C ATOM 687 O GLU A 45 -5.116 0.872 7.807 1.00 0.00 O ATOM 688 CB GLU A 45 -6.346 3.784 7.686 1.00 0.00 C ATOM 689 CG GLU A 45 -6.197 3.911 9.194 1.00 0.00 C ATOM 690 CD GLU A 45 -7.519 3.769 9.923 1.00 0.00 C ATOM 691 OE1 GLU A 45 -8.010 2.627 10.046 1.00 0.00 O ATOM 692 OE2 GLU A 45 -8.062 4.800 10.373 1.00 0.00 O ATOM 0 H GLU A 45 -5.691 4.278 5.340 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.256 3.300 7.621 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.504 4.775 7.260 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.237 3.197 7.465 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -5.505 3.149 9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -5.757 4.879 9.432 1.00 0.00 H new ATOM 699 N LEU A 46 -5.823 1.214 5.700 1.00 0.00 N ATOM 700 CA LEU A 46 -6.078 -0.193 5.437 1.00 0.00 C ATOM 701 C LEU A 46 -4.779 -0.950 5.214 1.00 0.00 C ATOM 702 O LEU A 46 -4.635 -2.099 5.633 1.00 0.00 O ATOM 703 CB LEU A 46 -6.992 -0.353 4.226 1.00 0.00 C ATOM 704 CG LEU A 46 -8.143 -1.342 4.407 1.00 0.00 C ATOM 705 CD1 LEU A 46 -8.971 -1.434 3.135 1.00 0.00 C ATOM 706 CD2 LEU A 46 -7.608 -2.712 4.796 1.00 0.00 C ATOM 0 H LEU A 46 -6.030 1.833 4.916 1.00 0.00 H new ATOM 0 HA LEU A 46 -6.574 -0.613 6.312 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -7.408 0.622 3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -6.390 -0.673 3.376 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.786 -0.982 5.210 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -9.786 -2.143 3.282 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -9.382 -0.453 2.896 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -8.340 -1.772 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -8.440 -3.405 4.921 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -6.944 -3.079 4.013 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -7.056 -2.635 5.733 1.00 0.00 H new ATOM 718 N ILE A 47 -3.836 -0.296 4.558 1.00 0.00 N ATOM 719 CA ILE A 47 -2.544 -0.906 4.284 1.00 0.00 C ATOM 720 C ILE A 47 -1.690 -0.926 5.539 1.00 0.00 C ATOM 721 O ILE A 47 -0.921 -1.858 5.767 1.00 0.00 O ATOM 722 CB ILE A 47 -1.766 -0.197 3.144 1.00 0.00 C ATOM 723 CG1 ILE A 47 -2.393 1.156 2.792 1.00 0.00 C ATOM 724 CG2 ILE A 47 -1.708 -1.087 1.911 1.00 0.00 C ATOM 725 CD1 ILE A 47 -1.609 1.936 1.760 1.00 0.00 C ATOM 0 H ILE A 47 -3.939 0.656 4.205 1.00 0.00 H new ATOM 0 HA ILE A 47 -2.751 -1.924 3.953 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.752 -0.013 3.499 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -3.405 0.993 2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -2.479 1.754 3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.159 -0.577 1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -1.203 -2.020 2.159 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -2.721 -1.302 1.570 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.112 2.882 1.560 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -0.605 2.131 2.137 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -1.545 1.358 0.838 1.00 0.00 H new ATOM 737 N ALA A 48 -1.843 0.102 6.357 1.00 0.00 N ATOM 738 CA ALA A 48 -1.099 0.198 7.598 1.00 0.00 C ATOM 739 C ALA A 48 -1.676 -0.749 8.636 1.00 0.00 C ATOM 740 O ALA A 48 -0.957 -1.266 9.491 1.00 0.00 O ATOM 741 CB ALA A 48 -1.095 1.629 8.113 1.00 0.00 C ATOM 0 H ALA A 48 -2.477 0.882 6.182 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.067 -0.093 7.405 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.532 1.679 9.045 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -0.631 2.281 7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.120 1.954 8.291 1.00 0.00 H new ATOM 747 N ARG A 49 -2.976 -0.990 8.541 1.00 0.00 N ATOM 748 CA ARG A 49 -3.645 -1.896 9.457 1.00 0.00 C ATOM 749 C ARG A 49 -3.178 -3.321 9.208 1.00 0.00 C ATOM 750 O ARG A 49 -3.161 -4.153 10.115 1.00 0.00 O ATOM 751 CB ARG A 49 -5.164 -1.800 9.301 1.00 0.00 C ATOM 752 CG ARG A 49 -5.934 -2.607 10.333 1.00 0.00 C ATOM 753 CD ARG A 49 -7.239 -3.139 9.763 1.00 0.00 C ATOM 754 NE ARG A 49 -8.222 -2.077 9.564 1.00 0.00 N ATOM 755 CZ ARG A 49 -9.501 -2.296 9.268 1.00 0.00 C ATOM 756 NH1 ARG A 49 -9.955 -3.537 9.135 1.00 0.00 N ATOM 757 NH2 ARG A 49 -10.328 -1.273 9.104 1.00 0.00 N ATOM 0 H ARG A 49 -3.586 -0.570 7.839 1.00 0.00 H new ATOM 0 HA ARG A 49 -3.389 -1.611 10.477 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.463 -0.754 9.373 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.441 -2.143 8.304 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -5.320 -3.439 10.678 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -6.143 -1.983 11.202 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -7.044 -3.635 8.812 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -7.649 -3.891 10.437 1.00 0.00 H new ATOM 0 HE ARG A 49 -7.910 -1.110 9.657 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -9.323 -4.328 9.260 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -10.936 -3.700 8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -9.984 -0.318 9.205 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -11.308 -1.441 8.877 1.00 0.00 H new ATOM 771 N TYR A 50 -2.781 -3.587 7.969 1.00 0.00 N ATOM 772 CA TYR A 50 -2.292 -4.900 7.590 1.00 0.00 C ATOM 773 C TYR A 50 -0.972 -5.190 8.272 1.00 0.00 C ATOM 774 O TYR A 50 -0.823 -6.185 8.982 1.00 0.00 O ATOM 775 CB TYR A 50 -2.114 -4.987 6.086 1.00 0.00 C ATOM 776 CG TYR A 50 -1.973 -6.402 5.577 1.00 0.00 C ATOM 777 CD1 TYR A 50 -0.822 -7.134 5.832 1.00 0.00 C ATOM 778 CD2 TYR A 50 -2.987 -7.006 4.845 1.00 0.00 C ATOM 779 CE1 TYR A 50 -0.682 -8.429 5.373 1.00 0.00 C ATOM 780 CE2 TYR A 50 -2.857 -8.302 4.382 1.00 0.00 C ATOM 781 CZ TYR A 50 -1.702 -9.009 4.649 1.00 0.00 C ATOM 782 OH TYR A 50 -1.568 -10.299 4.189 1.00 0.00 O ATOM 0 H TYR A 50 -2.790 -2.906 7.210 1.00 0.00 H new ATOM 0 HA TYR A 50 -3.028 -5.640 7.906 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -2.969 -4.518 5.599 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -1.231 -4.416 5.799 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -0.021 -6.683 6.400 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -3.891 -6.454 4.634 1.00 0.00 H new ATOM 0 HE1 TYR A 50 0.221 -8.984 5.580 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -3.654 -8.759 3.815 1.00 0.00 H new ATOM 0 HH TYR A 50 -2.376 -10.557 3.698 1.00 0.00 H new ATOM 792 N ILE A 51 -0.018 -4.307 8.045 1.00 0.00 N ATOM 793 CA ILE A 51 1.308 -4.454 8.637 1.00 0.00 C ATOM 794 C ILE A 51 1.221 -4.472 10.159 1.00 0.00 C ATOM 795 O ILE A 51 2.110 -4.991 10.834 1.00 0.00 O ATOM 796 CB ILE A 51 2.310 -3.350 8.198 1.00 0.00 C ATOM 797 CG1 ILE A 51 1.713 -2.409 7.143 1.00 0.00 C ATOM 798 CG2 ILE A 51 3.578 -3.992 7.662 1.00 0.00 C ATOM 799 CD1 ILE A 51 1.524 -3.056 5.786 1.00 0.00 C ATOM 0 H ILE A 51 -0.131 -3.481 7.457 1.00 0.00 H new ATOM 0 HA ILE A 51 1.690 -5.406 8.268 1.00 0.00 H new ATOM 0 HB ILE A 51 2.541 -2.747 9.077 1.00 0.00 H new ATOM 0 HG12 ILE A 51 0.750 -2.044 7.499 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.363 -1.541 7.034 1.00 0.00 H new ATOM 0 HG21 ILE A 51 4.278 -3.215 7.355 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.033 -4.604 8.441 1.00 0.00 H new ATOM 0 HG23 ILE A 51 3.334 -4.619 6.805 1.00 0.00 H new ATOM 0 HD11 ILE A 51 1.098 -2.330 5.093 1.00 0.00 H new ATOM 0 HD12 ILE A 51 2.488 -3.397 5.408 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.850 -3.907 5.880 1.00 0.00 H new ATOM 811 N LYS A 52 0.143 -3.908 10.695 1.00 0.00 N ATOM 812 CA LYS A 52 -0.057 -3.869 12.135 1.00 0.00 C ATOM 813 C LYS A 52 -0.502 -5.230 12.652 1.00 0.00 C ATOM 814 O LYS A 52 -0.170 -5.625 13.769 1.00 0.00 O ATOM 815 CB LYS A 52 -1.092 -2.804 12.502 1.00 0.00 C ATOM 816 CG LYS A 52 -0.772 -2.064 13.791 1.00 0.00 C ATOM 817 CD LYS A 52 -1.177 -2.873 15.012 1.00 0.00 C ATOM 818 CE LYS A 52 -2.672 -3.144 15.031 1.00 0.00 C ATOM 819 NZ LYS A 52 -3.213 -3.183 16.418 1.00 0.00 N ATOM 0 H LYS A 52 -0.603 -3.473 10.153 1.00 0.00 H new ATOM 0 HA LYS A 52 0.893 -3.612 12.604 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -1.164 -2.083 11.687 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -2.070 -3.277 12.597 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.296 -1.849 13.833 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.291 -1.105 13.800 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.635 -3.819 15.019 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.892 -2.335 15.916 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -3.188 -2.371 14.462 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -2.875 -4.093 14.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -4.236 -3.370 16.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -2.739 -3.938 16.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -3.043 -2.268 16.883 1.00 0.00 H new ATOM 833 N LEU A 53 -1.256 -5.940 11.829 1.00 0.00 N ATOM 834 CA LEU A 53 -1.754 -7.258 12.186 1.00 0.00 C ATOM 835 C LEU A 53 -0.789 -8.355 11.747 1.00 0.00 C ATOM 836 O LEU A 53 -0.810 -9.465 12.280 1.00 0.00 O ATOM 837 CB LEU A 53 -3.130 -7.490 11.557 1.00 0.00 C ATOM 838 CG LEU A 53 -3.727 -8.879 11.789 1.00 0.00 C ATOM 839 CD1 LEU A 53 -5.244 -8.823 11.705 1.00 0.00 C ATOM 840 CD2 LEU A 53 -3.171 -9.876 10.782 1.00 0.00 C ATOM 0 H LEU A 53 -1.538 -5.622 10.902 1.00 0.00 H new ATOM 0 HA LEU A 53 -1.842 -7.300 13.272 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -3.822 -6.745 11.950 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -3.054 -7.320 10.483 1.00 0.00 H new ATOM 0 HG LEU A 53 -3.448 -9.213 12.789 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -5.655 -9.819 11.872 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -5.626 -8.141 12.465 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -5.541 -8.469 10.718 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -3.608 -10.858 10.963 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.419 -9.550 9.772 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -2.088 -9.935 10.889 1.00 0.00 H new ATOM 852 N ARG A 54 0.042 -8.043 10.760 1.00 0.00 N ATOM 853 CA ARG A 54 1.001 -9.005 10.228 1.00 0.00 C ATOM 854 C ARG A 54 2.119 -9.310 11.215 1.00 0.00 C ATOM 855 O ARG A 54 2.323 -10.459 11.606 1.00 0.00 O ATOM 856 CB ARG A 54 1.595 -8.487 8.918 1.00 0.00 C ATOM 857 CG ARG A 54 1.912 -9.586 7.917 1.00 0.00 C ATOM 858 CD ARG A 54 3.053 -10.467 8.400 1.00 0.00 C ATOM 859 NE ARG A 54 3.910 -10.905 7.301 1.00 0.00 N ATOM 860 CZ ARG A 54 4.793 -11.897 7.399 1.00 0.00 C ATOM 861 NH1 ARG A 54 4.938 -12.555 8.543 1.00 0.00 N ATOM 862 NH2 ARG A 54 5.533 -12.231 6.351 1.00 0.00 N ATOM 0 H ARG A 54 0.071 -7.128 10.310 1.00 0.00 H new ATOM 0 HA ARG A 54 0.459 -9.933 10.046 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.896 -7.785 8.464 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.507 -7.932 9.137 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.024 -10.197 7.752 1.00 0.00 H new ATOM 0 HG3 ARG A 54 2.176 -9.141 6.958 1.00 0.00 H new ATOM 0 HD2 ARG A 54 3.650 -9.919 9.129 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.646 -11.339 8.912 1.00 0.00 H new ATOM 0 HE ARG A 54 3.827 -10.423 6.406 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.372 -12.302 9.352 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.616 -13.314 8.612 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.426 -11.728 5.470 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.209 -12.991 6.426 1.00 0.00 H new ATOM 876 N THR A 55 2.853 -8.279 11.595 1.00 0.00 N ATOM 877 CA THR A 55 3.969 -8.431 12.515 1.00 0.00 C ATOM 878 C THR A 55 3.754 -7.659 13.814 1.00 0.00 C ATOM 879 O THR A 55 4.339 -7.990 14.845 1.00 0.00 O ATOM 880 CB THR A 55 5.269 -7.974 11.847 1.00 0.00 C ATOM 881 OG1 THR A 55 4.997 -7.242 10.665 1.00 0.00 O ATOM 882 CG2 THR A 55 6.187 -9.119 11.474 1.00 0.00 C ATOM 0 H THR A 55 2.696 -7.322 11.279 1.00 0.00 H new ATOM 0 HA THR A 55 4.038 -9.489 12.768 1.00 0.00 H new ATOM 0 HB THR A 55 5.770 -7.354 12.590 1.00 0.00 H new ATOM 0 HG1 THR A 55 5.418 -7.687 9.900 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.089 -8.725 11.005 1.00 0.00 H new ATOM 0 HG22 THR A 55 6.458 -9.675 12.371 1.00 0.00 H new ATOM 0 HG23 THR A 55 5.676 -9.783 10.776 1.00 0.00 H new ATOM 890 N GLY A 56 2.924 -6.627 13.759 1.00 0.00 N ATOM 891 CA GLY A 56 2.664 -5.827 14.936 1.00 0.00 C ATOM 892 C GLY A 56 3.595 -4.635 15.048 1.00 0.00 C ATOM 893 O GLY A 56 3.312 -3.683 15.776 1.00 0.00 O ATOM 0 H GLY A 56 2.426 -6.330 12.920 1.00 0.00 H new ATOM 0 HA2 GLY A 56 1.632 -5.476 14.912 1.00 0.00 H new ATOM 0 HA3 GLY A 56 2.768 -6.450 15.824 1.00 0.00 H new ATOM 897 N LYS A 57 4.707 -4.686 14.322 1.00 0.00 N ATOM 898 CA LYS A 57 5.682 -3.606 14.334 1.00 0.00 C ATOM 899 C LYS A 57 5.141 -2.385 13.598 1.00 0.00 C ATOM 900 O LYS A 57 3.964 -2.337 13.244 1.00 0.00 O ATOM 901 CB LYS A 57 6.993 -4.067 13.700 1.00 0.00 C ATOM 902 CG LYS A 57 8.174 -4.037 14.656 1.00 0.00 C ATOM 903 CD LYS A 57 9.455 -4.490 13.974 1.00 0.00 C ATOM 904 CE LYS A 57 9.571 -6.005 13.957 1.00 0.00 C ATOM 905 NZ LYS A 57 9.144 -6.581 12.652 1.00 0.00 N ATOM 0 H LYS A 57 4.954 -5.468 13.716 1.00 0.00 H new ATOM 0 HA LYS A 57 5.873 -3.328 15.370 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.867 -5.082 13.323 1.00 0.00 H new ATOM 0 HB3 LYS A 57 7.215 -3.433 12.842 1.00 0.00 H new ATOM 0 HG2 LYS A 57 8.304 -3.026 15.043 1.00 0.00 H new ATOM 0 HG3 LYS A 57 7.968 -4.682 15.511 1.00 0.00 H new ATOM 0 HD2 LYS A 57 9.478 -4.111 12.952 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.314 -4.064 14.492 1.00 0.00 H new ATOM 0 HE2 LYS A 57 10.603 -6.292 14.160 1.00 0.00 H new ATOM 0 HE3 LYS A 57 8.960 -6.425 14.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 9.555 -7.530 12.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 8.106 -6.647 12.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 9.472 -5.968 11.878 1.00 0.00 H new ATOM 919 N THR A 58 6.005 -1.399 13.372 1.00 0.00 N ATOM 920 CA THR A 58 5.606 -0.177 12.678 1.00 0.00 C ATOM 921 C THR A 58 4.815 -0.504 11.412 1.00 0.00 C ATOM 922 O THR A 58 4.850 -1.634 10.924 1.00 0.00 O ATOM 923 CB THR A 58 6.838 0.661 12.325 1.00 0.00 C ATOM 924 OG1 THR A 58 6.458 1.967 11.928 1.00 0.00 O ATOM 925 CG2 THR A 58 7.674 0.068 11.209 1.00 0.00 C ATOM 0 H THR A 58 6.984 -1.422 13.658 1.00 0.00 H new ATOM 0 HA THR A 58 4.965 0.399 13.346 1.00 0.00 H new ATOM 0 HB THR A 58 7.440 0.681 13.233 1.00 0.00 H new ATOM 0 HG1 THR A 58 7.258 2.488 11.708 1.00 0.00 H new ATOM 0 HG21 THR A 58 8.529 0.714 11.012 1.00 0.00 H new ATOM 0 HG22 THR A 58 8.026 -0.920 11.504 1.00 0.00 H new ATOM 0 HG23 THR A 58 7.069 -0.017 10.307 1.00 0.00 H new ATOM 933 N ARG A 59 4.112 0.489 10.882 1.00 0.00 N ATOM 934 CA ARG A 59 3.330 0.306 9.677 1.00 0.00 C ATOM 935 C ARG A 59 3.133 1.636 8.967 1.00 0.00 C ATOM 936 O ARG A 59 2.018 2.151 8.877 1.00 0.00 O ATOM 937 CB ARG A 59 1.975 -0.323 10.010 1.00 0.00 C ATOM 938 CG ARG A 59 1.193 0.439 11.069 1.00 0.00 C ATOM 939 CD ARG A 59 1.756 0.200 12.462 1.00 0.00 C ATOM 940 NE ARG A 59 2.329 1.415 13.036 1.00 0.00 N ATOM 941 CZ ARG A 59 1.604 2.451 13.451 1.00 0.00 C ATOM 942 NH1 ARG A 59 0.280 2.424 13.358 1.00 0.00 N ATOM 943 NH2 ARG A 59 2.204 3.518 13.961 1.00 0.00 N ATOM 0 H ARG A 59 4.071 1.430 11.273 1.00 0.00 H new ATOM 0 HA ARG A 59 3.872 -0.367 9.012 1.00 0.00 H new ATOM 0 HB2 ARG A 59 1.377 -0.381 9.100 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.133 -1.346 10.353 1.00 0.00 H new ATOM 0 HG2 ARG A 59 1.218 1.505 10.844 1.00 0.00 H new ATOM 0 HG3 ARG A 59 0.147 0.132 11.041 1.00 0.00 H new ATOM 0 HD2 ARG A 59 0.965 -0.171 13.114 1.00 0.00 H new ATOM 0 HD3 ARG A 59 2.521 -0.575 12.416 1.00 0.00 H new ATOM 0 HE ARG A 59 3.344 1.473 13.124 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -0.187 1.606 12.967 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -0.270 3.221 13.678 1.00 0.00 H new ATOM 0 HH21 ARG A 59 3.221 3.545 14.035 1.00 0.00 H new ATOM 0 HH22 ARG A 59 1.649 4.312 14.279 1.00 0.00 H new ATOM 957 N THR A 60 4.227 2.183 8.459 1.00 0.00 N ATOM 958 CA THR A 60 4.190 3.456 7.744 1.00 0.00 C ATOM 959 C THR A 60 3.069 3.459 6.706 1.00 0.00 C ATOM 960 O THR A 60 2.711 2.412 6.168 1.00 0.00 O ATOM 961 CB THR A 60 5.537 3.728 7.068 1.00 0.00 C ATOM 962 OG1 THR A 60 5.398 4.693 6.040 1.00 0.00 O ATOM 963 CG2 THR A 60 6.163 2.493 6.456 1.00 0.00 C ATOM 0 H THR A 60 5.155 1.766 8.527 1.00 0.00 H new ATOM 0 HA THR A 60 3.994 4.248 8.467 1.00 0.00 H new ATOM 0 HB THR A 60 6.189 4.089 7.864 1.00 0.00 H new ATOM 0 HG1 THR A 60 6.166 5.301 6.056 1.00 0.00 H new ATOM 0 HG21 THR A 60 7.114 2.758 5.994 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.332 1.747 7.233 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.494 2.083 5.699 1.00 0.00 H new ATOM 971 N ARG A 61 2.512 4.635 6.435 1.00 0.00 N ATOM 972 CA ARG A 61 1.430 4.760 5.474 1.00 0.00 C ATOM 973 C ARG A 61 1.887 5.483 4.216 1.00 0.00 C ATOM 974 O ARG A 61 1.416 5.198 3.114 1.00 0.00 O ATOM 975 CB ARG A 61 0.244 5.497 6.099 1.00 0.00 C ATOM 976 CG ARG A 61 0.645 6.718 6.911 1.00 0.00 C ATOM 977 CD ARG A 61 -0.416 7.806 6.847 1.00 0.00 C ATOM 978 NE ARG A 61 -1.106 7.973 8.124 1.00 0.00 N ATOM 979 CZ ARG A 61 -2.085 7.177 8.548 1.00 0.00 C ATOM 980 NH1 ARG A 61 -2.492 6.158 7.802 1.00 0.00 N ATOM 981 NH2 ARG A 61 -2.658 7.400 9.723 1.00 0.00 N ATOM 0 H ARG A 61 2.795 5.514 6.869 1.00 0.00 H new ATOM 0 HA ARG A 61 1.118 3.754 5.193 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -0.439 5.806 5.308 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -0.304 4.808 6.742 1.00 0.00 H new ATOM 0 HG2 ARG A 61 0.807 6.428 7.949 1.00 0.00 H new ATOM 0 HG3 ARG A 61 1.591 7.109 6.538 1.00 0.00 H new ATOM 0 HD2 ARG A 61 0.049 8.749 6.560 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.142 7.559 6.072 1.00 0.00 H new ATOM 0 HE ARG A 61 -0.821 8.745 8.726 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -2.054 5.981 6.898 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -3.243 5.552 8.133 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -2.348 8.181 10.301 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -3.408 6.790 10.048 1.00 0.00 H new ATOM 995 N LYS A 62 2.800 6.423 4.390 1.00 0.00 N ATOM 996 CA LYS A 62 3.323 7.198 3.275 1.00 0.00 C ATOM 997 C LYS A 62 4.218 6.348 2.386 1.00 0.00 C ATOM 998 O LYS A 62 4.249 6.522 1.168 1.00 0.00 O ATOM 999 CB LYS A 62 4.088 8.416 3.788 1.00 0.00 C ATOM 1000 CG LYS A 62 3.558 9.737 3.255 1.00 0.00 C ATOM 1001 CD LYS A 62 4.348 10.206 2.044 1.00 0.00 C ATOM 1002 CE LYS A 62 4.532 11.715 2.050 1.00 0.00 C ATOM 1003 NZ LYS A 62 5.857 12.115 1.501 1.00 0.00 N ATOM 0 H LYS A 62 3.197 6.670 5.297 1.00 0.00 H new ATOM 0 HA LYS A 62 2.478 7.538 2.676 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.044 8.430 4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.138 8.318 3.512 1.00 0.00 H new ATOM 0 HG2 LYS A 62 2.508 9.627 2.985 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.608 10.493 4.039 1.00 0.00 H new ATOM 0 HD2 LYS A 62 5.323 9.719 2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.832 9.905 1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 62 3.740 12.180 1.462 1.00 0.00 H new ATOM 0 HE3 LYS A 62 4.434 12.089 3.069 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.943 13.151 1.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.613 11.693 2.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 5.941 11.781 0.520 1.00 0.00 H new ATOM 1017 N GLN A 63 4.941 5.429 3.003 1.00 0.00 N ATOM 1018 CA GLN A 63 5.835 4.547 2.270 1.00 0.00 C ATOM 1019 C GLN A 63 5.049 3.471 1.534 1.00 0.00 C ATOM 1020 O GLN A 63 5.484 2.967 0.498 1.00 0.00 O ATOM 1021 CB GLN A 63 6.852 3.911 3.215 1.00 0.00 C ATOM 1022 CG GLN A 63 8.288 4.319 2.926 1.00 0.00 C ATOM 1023 CD GLN A 63 9.280 3.213 3.226 1.00 0.00 C ATOM 1024 OE1 GLN A 63 8.926 2.186 3.805 1.00 0.00 O ATOM 1025 NE2 GLN A 63 10.531 3.417 2.832 1.00 0.00 N ATOM 0 H GLN A 63 4.927 5.274 4.011 1.00 0.00 H new ATOM 0 HA GLN A 63 6.372 5.143 1.532 1.00 0.00 H new ATOM 0 HB2 GLN A 63 6.604 4.185 4.240 1.00 0.00 H new ATOM 0 HB3 GLN A 63 6.770 2.826 3.147 1.00 0.00 H new ATOM 0 HG2 GLN A 63 8.376 4.607 1.878 1.00 0.00 H new ATOM 0 HG3 GLN A 63 8.539 5.198 3.520 1.00 0.00 H new ATOM 0 HE21 GLN A 63 10.781 4.283 2.355 1.00 0.00 H new ATOM 0 HE22 GLN A 63 11.243 2.707 3.006 1.00 0.00 H new ATOM 1034 N VAL A 64 3.887 3.128 2.073 1.00 0.00 N ATOM 1035 CA VAL A 64 3.034 2.119 1.468 1.00 0.00 C ATOM 1036 C VAL A 64 2.236 2.697 0.307 1.00 0.00 C ATOM 1037 O VAL A 64 1.759 1.960 -0.554 1.00 0.00 O ATOM 1038 CB VAL A 64 2.057 1.505 2.488 1.00 0.00 C ATOM 1039 CG1 VAL A 64 1.340 0.308 1.884 1.00 0.00 C ATOM 1040 CG2 VAL A 64 2.786 1.109 3.761 1.00 0.00 C ATOM 0 H VAL A 64 3.514 3.536 2.930 1.00 0.00 H new ATOM 0 HA VAL A 64 3.697 1.336 1.101 1.00 0.00 H new ATOM 0 HB VAL A 64 1.312 2.258 2.745 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.654 -0.114 2.618 1.00 0.00 H new ATOM 0 HG12 VAL A 64 0.780 0.625 1.004 1.00 0.00 H new ATOM 0 HG13 VAL A 64 2.072 -0.447 1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 64 2.077 0.678 4.467 1.00 0.00 H new ATOM 0 HG22 VAL A 64 3.556 0.374 3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 64 3.249 1.991 4.204 1.00 0.00 H new ATOM 1050 N SER A 65 2.100 4.018 0.281 1.00 0.00 N ATOM 1051 CA SER A 65 1.368 4.682 -0.783 1.00 0.00 C ATOM 1052 C SER A 65 2.281 4.912 -1.972 1.00 0.00 C ATOM 1053 O SER A 65 1.852 4.873 -3.125 1.00 0.00 O ATOM 1054 CB SER A 65 0.788 6.010 -0.293 1.00 0.00 C ATOM 1055 OG SER A 65 -0.478 6.261 -0.879 1.00 0.00 O ATOM 0 H SER A 65 2.487 4.646 0.985 1.00 0.00 H new ATOM 0 HA SER A 65 0.541 4.042 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 65 0.692 5.990 0.793 1.00 0.00 H new ATOM 0 HB3 SER A 65 1.473 6.822 -0.538 1.00 0.00 H new ATOM 0 HG SER A 65 -0.828 7.115 -0.548 1.00 0.00 H new ATOM 1061 N SER A 66 3.549 5.136 -1.672 1.00 0.00 N ATOM 1062 CA SER A 66 4.553 5.358 -2.691 1.00 0.00 C ATOM 1063 C SER A 66 4.863 4.061 -3.419 1.00 0.00 C ATOM 1064 O SER A 66 5.156 4.056 -4.615 1.00 0.00 O ATOM 1065 CB SER A 66 5.816 5.916 -2.054 1.00 0.00 C ATOM 1066 OG SER A 66 6.338 6.999 -2.804 1.00 0.00 O ATOM 0 H SER A 66 3.908 5.168 -0.718 1.00 0.00 H new ATOM 0 HA SER A 66 4.170 6.077 -3.414 1.00 0.00 H new ATOM 0 HB2 SER A 66 5.598 6.246 -1.038 1.00 0.00 H new ATOM 0 HB3 SER A 66 6.566 5.129 -1.979 1.00 0.00 H new ATOM 0 HG SER A 66 7.148 7.338 -2.369 1.00 0.00 H new ATOM 1072 N HIS A 67 4.795 2.965 -2.681 1.00 0.00 N ATOM 1073 CA HIS A 67 5.066 1.648 -3.238 1.00 0.00 C ATOM 1074 C HIS A 67 3.981 1.235 -4.221 1.00 0.00 C ATOM 1075 O HIS A 67 4.250 0.546 -5.205 1.00 0.00 O ATOM 1076 CB HIS A 67 5.188 0.609 -2.122 1.00 0.00 C ATOM 1077 CG HIS A 67 5.914 -0.631 -2.540 1.00 0.00 C ATOM 1078 ND1 HIS A 67 5.692 -1.482 -3.570 1.00 0.00 N flip ATOM 1079 CD2 HIS A 67 7.014 -1.123 -1.869 1.00 0.00 C flip ATOM 1080 CE1 HIS A 67 6.652 -2.461 -3.503 1.00 0.00 C flip ATOM 1081 NE2 HIS A 67 7.438 -2.222 -2.469 1.00 0.00 N flip ATOM 0 H HIS A 67 4.553 2.961 -1.690 1.00 0.00 H new ATOM 0 HA HIS A 67 6.012 1.701 -3.776 1.00 0.00 H new ATOM 0 HB2 HIS A 67 5.707 1.057 -1.274 1.00 0.00 H new ATOM 0 HB3 HIS A 67 4.190 0.338 -1.778 1.00 0.00 H new ATOM 0 HD1 HIS A 67 4.950 -1.409 -4.266 1.00 0.00 H new ATOM 0 HD2 HIS A 67 7.459 -0.680 -0.991 1.00 0.00 H new ATOM 0 HE1 HIS A 67 6.749 -3.292 -4.186 1.00 0.00 H new ATOM 1090 N ILE A 68 2.756 1.663 -3.954 1.00 0.00 N ATOM 1091 CA ILE A 68 1.634 1.339 -4.822 1.00 0.00 C ATOM 1092 C ILE A 68 1.722 2.110 -6.132 1.00 0.00 C ATOM 1093 O ILE A 68 1.231 1.658 -7.166 1.00 0.00 O ATOM 1094 CB ILE A 68 0.281 1.636 -4.145 1.00 0.00 C ATOM 1095 CG1 ILE A 68 0.203 0.939 -2.787 1.00 0.00 C ATOM 1096 CG2 ILE A 68 -0.870 1.192 -5.037 1.00 0.00 C ATOM 1097 CD1 ILE A 68 -0.680 1.659 -1.792 1.00 0.00 C ATOM 0 H ILE A 68 2.514 2.235 -3.145 1.00 0.00 H new ATOM 0 HA ILE A 68 1.690 0.270 -5.025 1.00 0.00 H new ATOM 0 HB ILE A 68 0.200 2.712 -3.989 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -0.173 -0.074 -2.928 1.00 0.00 H new ATOM 0 HG13 ILE A 68 1.208 0.852 -2.373 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -1.817 1.409 -4.544 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.823 1.728 -5.985 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -0.795 0.120 -5.222 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -0.690 1.110 -0.850 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.293 2.664 -1.622 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -1.695 1.723 -2.185 1.00 0.00 H new ATOM 1109 N GLN A 69 2.359 3.272 -6.080 1.00 0.00 N ATOM 1110 CA GLN A 69 2.522 4.105 -7.261 1.00 0.00 C ATOM 1111 C GLN A 69 3.548 3.499 -8.209 1.00 0.00 C ATOM 1112 O GLN A 69 3.493 3.712 -9.421 1.00 0.00 O ATOM 1113 CB GLN A 69 2.942 5.520 -6.862 1.00 0.00 C ATOM 1114 CG GLN A 69 1.949 6.212 -5.942 1.00 0.00 C ATOM 1115 CD GLN A 69 1.815 7.693 -6.237 1.00 0.00 C ATOM 1116 OE1 GLN A 69 2.032 8.135 -7.366 1.00 0.00 O ATOM 1117 NE2 GLN A 69 1.456 8.469 -5.221 1.00 0.00 N ATOM 0 H GLN A 69 2.771 3.658 -5.231 1.00 0.00 H new ATOM 0 HA GLN A 69 1.563 4.157 -7.777 1.00 0.00 H new ATOM 0 HB2 GLN A 69 3.913 5.476 -6.368 1.00 0.00 H new ATOM 0 HB3 GLN A 69 3.069 6.120 -7.763 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.974 5.736 -6.042 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.264 6.079 -4.907 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.286 8.060 -4.302 1.00 0.00 H new ATOM 0 HE22 GLN A 69 1.350 9.474 -5.359 1.00 0.00 H new ATOM 1126 N VAL A 70 4.480 2.738 -7.649 1.00 0.00 N ATOM 1127 CA VAL A 70 5.517 2.093 -8.439 1.00 0.00 C ATOM 1128 C VAL A 70 4.952 0.925 -9.234 1.00 0.00 C ATOM 1129 O VAL A 70 5.481 0.560 -10.284 1.00 0.00 O ATOM 1130 CB VAL A 70 6.674 1.591 -7.566 1.00 0.00 C ATOM 1131 CG1 VAL A 70 7.926 1.384 -8.403 1.00 0.00 C ATOM 1132 CG2 VAL A 70 6.945 2.550 -6.415 1.00 0.00 C ATOM 0 H VAL A 70 4.537 2.553 -6.648 1.00 0.00 H new ATOM 0 HA VAL A 70 5.900 2.849 -9.124 1.00 0.00 H new ATOM 0 HB VAL A 70 6.385 0.630 -7.140 1.00 0.00 H new ATOM 0 HG11 VAL A 70 8.735 1.028 -7.765 1.00 0.00 H new ATOM 0 HG12 VAL A 70 7.726 0.647 -9.181 1.00 0.00 H new ATOM 0 HG13 VAL A 70 8.216 2.328 -8.864 1.00 0.00 H new ATOM 0 HG21 VAL A 70 7.770 2.171 -5.812 1.00 0.00 H new ATOM 0 HG22 VAL A 70 7.207 3.530 -6.812 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.052 2.637 -5.796 1.00 0.00 H new ATOM 1142 N LEU A 71 3.872 0.346 -8.730 1.00 0.00 N ATOM 1143 CA LEU A 71 3.229 -0.776 -9.395 1.00 0.00 C ATOM 1144 C LEU A 71 2.439 -0.303 -10.610 1.00 0.00 C ATOM 1145 O LEU A 71 2.195 -1.070 -11.542 1.00 0.00 O ATOM 1146 CB LEU A 71 2.314 -1.519 -8.423 1.00 0.00 C ATOM 1147 CG LEU A 71 2.696 -2.976 -8.160 1.00 0.00 C ATOM 1148 CD1 LEU A 71 3.782 -3.059 -7.098 1.00 0.00 C ATOM 1149 CD2 LEU A 71 1.474 -3.779 -7.740 1.00 0.00 C ATOM 0 H LEU A 71 3.423 0.636 -7.861 1.00 0.00 H new ATOM 0 HA LEU A 71 4.005 -1.461 -9.736 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.307 -0.984 -7.473 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.296 -1.491 -8.812 1.00 0.00 H new ATOM 0 HG LEU A 71 3.087 -3.403 -9.084 1.00 0.00 H new ATOM 0 HD11 LEU A 71 4.041 -4.103 -6.924 1.00 0.00 H new ATOM 0 HD12 LEU A 71 4.665 -2.518 -7.437 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.419 -2.616 -6.171 1.00 0.00 H new ATOM 0 HD21 LEU A 71 1.764 -4.814 -7.557 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.054 -3.353 -6.829 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.727 -3.746 -8.533 1.00 0.00 H new ATOM 1161 N ALA A 72 2.044 0.965 -10.593 1.00 0.00 N ATOM 1162 CA ALA A 72 1.284 1.542 -11.690 1.00 0.00 C ATOM 1163 C ALA A 72 2.177 1.822 -12.889 1.00 0.00 C ATOM 1164 O ALA A 72 1.748 1.709 -14.037 1.00 0.00 O ATOM 1165 CB ALA A 72 0.583 2.814 -11.238 1.00 0.00 C ATOM 0 H ALA A 72 2.239 1.612 -9.829 1.00 0.00 H new ATOM 0 HA ALA A 72 0.530 0.817 -11.996 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.018 3.234 -12.071 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -0.097 2.583 -10.418 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.325 3.538 -10.901 1.00 0.00 H new ATOM 1171 N ARG A 73 3.421 2.184 -12.613 1.00 0.00 N ATOM 1172 CA ARG A 73 4.379 2.476 -13.669 1.00 0.00 C ATOM 1173 C ARG A 73 4.856 1.192 -14.327 1.00 0.00 C ATOM 1174 O ARG A 73 5.099 1.147 -15.533 1.00 0.00 O ATOM 1175 CB ARG A 73 5.571 3.258 -13.115 1.00 0.00 C ATOM 1176 CG ARG A 73 6.210 2.615 -11.897 1.00 0.00 C ATOM 1177 CD ARG A 73 7.526 3.286 -11.538 1.00 0.00 C ATOM 1178 NE ARG A 73 8.675 2.564 -12.078 1.00 0.00 N ATOM 1179 CZ ARG A 73 9.921 2.716 -11.636 1.00 0.00 C ATOM 1180 NH1 ARG A 73 10.184 3.563 -10.649 1.00 0.00 N ATOM 1181 NH2 ARG A 73 10.908 2.019 -12.183 1.00 0.00 N ATOM 0 H ARG A 73 3.791 2.283 -11.667 1.00 0.00 H new ATOM 0 HA ARG A 73 3.880 3.089 -14.420 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.323 3.360 -13.898 1.00 0.00 H new ATOM 0 HB3 ARG A 73 5.244 4.265 -12.854 1.00 0.00 H new ATOM 0 HG2 ARG A 73 5.526 2.677 -11.051 1.00 0.00 H new ATOM 0 HG3 ARG A 73 6.381 1.556 -12.091 1.00 0.00 H new ATOM 0 HD2 ARG A 73 7.528 4.307 -11.919 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.616 3.351 -10.454 1.00 0.00 H new ATOM 0 HE ARG A 73 8.513 1.904 -12.839 1.00 0.00 H new ATOM 0 HH11 ARG A 73 9.429 4.102 -10.225 1.00 0.00 H new ATOM 0 HH12 ARG A 73 11.141 3.675 -10.315 1.00 0.00 H new ATOM 0 HH21 ARG A 73 10.712 1.367 -12.942 1.00 0.00 H new ATOM 0 HH22 ARG A 73 11.863 2.135 -11.844 1.00 0.00 H new ATOM 1195 N ARG A 74 4.979 0.149 -13.523 1.00 0.00 N ATOM 1196 CA ARG A 74 5.418 -1.149 -14.010 1.00 0.00 C ATOM 1197 C ARG A 74 4.302 -1.841 -14.783 1.00 0.00 C ATOM 1198 O ARG A 74 4.556 -2.651 -15.674 1.00 0.00 O ATOM 1199 CB ARG A 74 5.875 -2.030 -12.846 1.00 0.00 C ATOM 1200 CG ARG A 74 7.264 -1.687 -12.333 1.00 0.00 C ATOM 1201 CD ARG A 74 8.323 -2.594 -12.939 1.00 0.00 C ATOM 1202 NE ARG A 74 9.013 -1.959 -14.059 1.00 0.00 N ATOM 1203 CZ ARG A 74 10.189 -2.364 -14.531 1.00 0.00 C ATOM 1204 NH1 ARG A 74 10.809 -3.403 -13.985 1.00 0.00 N ATOM 1205 NH2 ARG A 74 10.747 -1.730 -15.553 1.00 0.00 N ATOM 0 H ARG A 74 4.780 0.176 -12.523 1.00 0.00 H new ATOM 0 HA ARG A 74 6.260 -0.992 -14.684 1.00 0.00 H new ATOM 0 HB2 ARG A 74 5.161 -1.936 -12.028 1.00 0.00 H new ATOM 0 HB3 ARG A 74 5.861 -3.073 -13.163 1.00 0.00 H new ATOM 0 HG2 ARG A 74 7.494 -0.648 -12.570 1.00 0.00 H new ATOM 0 HG3 ARG A 74 7.284 -1.778 -11.247 1.00 0.00 H new ATOM 0 HD2 ARG A 74 9.049 -2.865 -12.173 1.00 0.00 H new ATOM 0 HD3 ARG A 74 7.857 -3.519 -13.278 1.00 0.00 H new ATOM 0 HE ARG A 74 8.567 -1.158 -14.506 1.00 0.00 H new ATOM 0 HH11 ARG A 74 10.384 -3.895 -13.199 1.00 0.00 H new ATOM 0 HH12 ARG A 74 11.710 -3.709 -14.351 1.00 0.00 H new ATOM 0 HH21 ARG A 74 10.275 -0.932 -15.977 1.00 0.00 H new ATOM 0 HH22 ARG A 74 11.649 -2.040 -15.915 1.00 0.00 H new ATOM 1219 N LYS A 75 3.065 -1.512 -14.433 1.00 0.00 N ATOM 1220 CA LYS A 75 1.903 -2.094 -15.085 1.00 0.00 C ATOM 1221 C LYS A 75 1.580 -1.369 -16.389 1.00 0.00 C ATOM 1222 O LYS A 75 0.870 -1.899 -17.243 1.00 0.00 O ATOM 1223 CB LYS A 75 0.693 -2.052 -14.150 1.00 0.00 C ATOM 1224 CG LYS A 75 0.641 -3.211 -13.169 1.00 0.00 C ATOM 1225 CD LYS A 75 -0.791 -3.627 -12.873 1.00 0.00 C ATOM 1226 CE LYS A 75 -0.884 -5.107 -12.540 1.00 0.00 C ATOM 1227 NZ LYS A 75 -0.388 -5.959 -13.656 1.00 0.00 N ATOM 0 H LYS A 75 2.842 -0.842 -13.697 1.00 0.00 H new ATOM 0 HA LYS A 75 2.137 -3.132 -15.321 1.00 0.00 H new ATOM 0 HB2 LYS A 75 0.708 -1.116 -13.592 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -0.218 -2.052 -14.748 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.190 -4.059 -13.577 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.137 -2.926 -12.241 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -1.176 -3.041 -12.039 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -1.421 -3.407 -13.735 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -0.305 -5.314 -11.640 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -1.920 -5.365 -12.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.894 -6.868 -13.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -0.554 -5.476 -14.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.631 -6.129 -13.536 1.00 0.00 H new ATOM 1241 N SER A 76 2.102 -0.154 -16.536 1.00 0.00 N ATOM 1242 CA SER A 76 1.863 0.639 -17.738 1.00 0.00 C ATOM 1243 C SER A 76 2.339 -0.093 -18.988 1.00 0.00 C ATOM 1244 O SER A 76 1.904 0.210 -20.099 1.00 0.00 O ATOM 1245 CB SER A 76 2.561 1.995 -17.628 1.00 0.00 C ATOM 1246 OG SER A 76 1.869 2.987 -18.367 1.00 0.00 O ATOM 0 H SER A 76 2.692 0.302 -15.840 1.00 0.00 H new ATOM 0 HA SER A 76 0.788 0.796 -17.825 1.00 0.00 H new ATOM 0 HB2 SER A 76 2.621 2.293 -16.581 1.00 0.00 H new ATOM 0 HB3 SER A 76 3.584 1.912 -17.995 1.00 0.00 H new ATOM 0 HG SER A 76 2.335 3.845 -18.279 1.00 0.00 H new ATOM 1252 N ARG A 77 3.229 -1.062 -18.803 1.00 0.00 N ATOM 1253 CA ARG A 77 3.754 -1.838 -19.919 1.00 0.00 C ATOM 1254 C ARG A 77 2.634 -2.584 -20.643 1.00 0.00 C ATOM 1255 O ARG A 77 2.810 -3.036 -21.774 1.00 0.00 O ATOM 1256 CB ARG A 77 4.808 -2.830 -19.426 1.00 0.00 C ATOM 1257 CG ARG A 77 4.303 -3.765 -18.339 1.00 0.00 C ATOM 1258 CD ARG A 77 3.855 -5.098 -18.915 1.00 0.00 C ATOM 1259 NE ARG A 77 3.069 -5.872 -17.957 1.00 0.00 N ATOM 1260 CZ ARG A 77 2.853 -7.182 -18.061 1.00 0.00 C ATOM 1261 NH1 ARG A 77 3.362 -7.866 -19.078 1.00 0.00 N ATOM 1262 NH2 ARG A 77 2.127 -7.808 -17.146 1.00 0.00 N ATOM 0 H ARG A 77 3.601 -1.328 -17.891 1.00 0.00 H new ATOM 0 HA ARG A 77 4.217 -1.146 -20.623 1.00 0.00 H new ATOM 0 HB2 ARG A 77 5.159 -3.424 -20.270 1.00 0.00 H new ATOM 0 HB3 ARG A 77 5.667 -2.276 -19.047 1.00 0.00 H new ATOM 0 HG2 ARG A 77 5.092 -3.931 -17.605 1.00 0.00 H new ATOM 0 HG3 ARG A 77 3.471 -3.297 -17.812 1.00 0.00 H new ATOM 0 HD2 ARG A 77 3.263 -4.924 -19.813 1.00 0.00 H new ATOM 0 HD3 ARG A 77 4.729 -5.675 -19.217 1.00 0.00 H new ATOM 0 HE ARG A 77 2.662 -5.380 -17.162 1.00 0.00 H new ATOM 0 HH11 ARG A 77 3.922 -7.389 -19.785 1.00 0.00 H new ATOM 0 HH12 ARG A 77 3.194 -8.869 -19.153 1.00 0.00 H new ATOM 0 HH21 ARG A 77 1.734 -7.286 -16.362 1.00 0.00 H new ATOM 0 HH22 ARG A 77 1.961 -8.811 -17.225 1.00 0.00 H new ATOM 1276 N ASP A 78 1.484 -2.711 -19.985 1.00 0.00 N ATOM 1277 CA ASP A 78 0.342 -3.403 -20.570 1.00 0.00 C ATOM 1278 C ASP A 78 -0.176 -2.672 -21.807 1.00 0.00 C ATOM 1279 O ASP A 78 -0.900 -3.247 -22.619 1.00 0.00 O ATOM 1280 CB ASP A 78 -0.775 -3.545 -19.538 1.00 0.00 C ATOM 1281 CG ASP A 78 -1.090 -4.994 -19.220 1.00 0.00 C ATOM 1282 OD1 ASP A 78 -1.928 -5.589 -19.930 1.00 0.00 O ATOM 1283 OD2 ASP A 78 -0.497 -5.534 -18.263 1.00 0.00 O ATOM 0 H ASP A 78 1.320 -2.344 -19.048 1.00 0.00 H new ATOM 0 HA ASP A 78 0.673 -4.395 -20.878 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -0.487 -3.030 -18.622 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -1.674 -3.054 -19.910 1.00 0.00 H new