USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 541 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 Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.73 K(o=-1.7,f=-0.081) USER MOD Single : A 20 SER OG : rot -21:sc= 0.326! USER MOD Single : A 23 GLN : amide:sc= -0.114 X(o=-0.11,f=-0.014) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.437 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 41 CYS SG : rot 2:sc= 0.291 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 SER OG : rot -84:sc= -0.752! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0365 USER MOD Single : A 50 CYS SG : rot 11:sc= 0.473 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 149:sc= -0.405 (180deg=-1.58!) USER MOD Single : A 67 SER OG : rot 180:sc= -0.931 USER MOD Single : A 69 THR OG1 : rot 180:sc= -1.02 USER MOD Single : A 70 GLN : amide:sc= -0.0854 K(o=-0.085,f=-0.78) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= -0.0317 X(o=-0.032,f=-0.0018) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 147 N THR A 13 10.728 18.840 3.457 1.00 0.00 N ATOM 148 CA THR A 13 11.098 18.149 4.686 1.00 0.00 C ATOM 149 C THR A 13 10.649 16.692 4.654 1.00 0.00 C ATOM 150 O THR A 13 9.515 16.375 4.294 1.00 0.00 O ATOM 151 CB THR A 13 10.487 18.836 5.922 1.00 0.00 C ATOM 152 OG1 THR A 13 11.252 19.996 6.266 1.00 0.00 O ATOM 153 CG2 THR A 13 10.444 17.881 7.106 1.00 0.00 C ATOM 0 HA THR A 13 12.185 18.190 4.757 1.00 0.00 H new ATOM 0 HB THR A 13 9.467 19.133 5.678 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.856 20.428 7.052 1.00 0.00 H new ATOM 0 HG21 THR A 13 10.009 18.388 7.967 1.00 0.00 H new ATOM 0 HG22 THR A 13 9.837 17.013 6.851 1.00 0.00 H new ATOM 0 HG23 THR A 13 11.456 17.557 7.349 1.00 0.00 H new ATOM 161 N PRO A 14 11.557 15.784 5.040 1.00 0.00 N ATOM 162 CA PRO A 14 11.276 14.345 5.065 1.00 0.00 C ATOM 163 C PRO A 14 10.288 13.968 6.163 1.00 0.00 C ATOM 164 O PRO A 14 10.105 14.707 7.129 1.00 0.00 O ATOM 165 CB PRO A 14 12.646 13.721 5.342 1.00 0.00 C ATOM 166 CG PRO A 14 13.412 14.786 6.050 1.00 0.00 C ATOM 167 CD PRO A 14 12.928 16.091 5.481 1.00 0.00 C ATOM 0 HA PRO A 14 10.816 14.003 4.138 1.00 0.00 H new ATOM 0 HB2 PRO A 14 12.556 12.824 5.955 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.141 13.426 4.417 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.240 14.741 7.125 1.00 0.00 H new ATOM 0 HG3 PRO A 14 14.484 14.665 5.893 1.00 0.00 H new ATOM 0 HD2 PRO A 14 12.941 16.885 6.228 1.00 0.00 H new ATOM 0 HD3 PRO A 14 13.552 16.424 4.651 1.00 0.00 H new ATOM 175 N VAL A 15 9.652 12.811 6.008 1.00 0.00 N ATOM 176 CA VAL A 15 8.683 12.332 6.986 1.00 0.00 C ATOM 177 C VAL A 15 8.708 10.812 7.088 1.00 0.00 C ATOM 178 O VAL A 15 9.275 10.131 6.233 1.00 0.00 O ATOM 179 CB VAL A 15 7.256 12.790 6.632 1.00 0.00 C ATOM 180 CG1 VAL A 15 6.382 12.829 7.877 1.00 0.00 C ATOM 181 CG2 VAL A 15 7.286 14.149 5.949 1.00 0.00 C ATOM 0 H VAL A 15 9.791 12.187 5.213 1.00 0.00 H new ATOM 0 HA VAL A 15 8.966 12.760 7.947 1.00 0.00 H new ATOM 0 HB VAL A 15 6.825 12.069 5.937 1.00 0.00 H new ATOM 0 HG11 VAL A 15 5.378 13.155 7.606 1.00 0.00 H new ATOM 0 HG12 VAL A 15 6.334 11.834 8.319 1.00 0.00 H new ATOM 0 HG13 VAL A 15 6.808 13.526 8.599 1.00 0.00 H new ATOM 0 HG21 VAL A 15 6.269 14.457 5.706 1.00 0.00 H new ATOM 0 HG22 VAL A 15 7.737 14.882 6.617 1.00 0.00 H new ATOM 0 HG23 VAL A 15 7.874 14.083 5.033 1.00 0.00 H new ATOM 191 N PHE A 16 8.087 10.285 8.138 1.00 0.00 N ATOM 192 CA PHE A 16 8.038 8.842 8.352 1.00 0.00 C ATOM 193 C PHE A 16 6.648 8.407 8.807 1.00 0.00 C ATOM 194 O PHE A 16 6.076 8.987 9.730 1.00 0.00 O ATOM 195 CB PHE A 16 9.081 8.424 9.390 1.00 0.00 C ATOM 196 CG PHE A 16 9.637 7.048 9.159 1.00 0.00 C ATOM 197 CD1 PHE A 16 10.654 6.842 8.241 1.00 0.00 C ATOM 198 CD2 PHE A 16 9.143 5.959 9.861 1.00 0.00 C ATOM 199 CE1 PHE A 16 11.168 5.577 8.027 1.00 0.00 C ATOM 200 CE2 PHE A 16 9.652 4.692 9.650 1.00 0.00 C ATOM 201 CZ PHE A 16 10.666 4.501 8.733 1.00 0.00 C ATOM 0 H PHE A 16 7.611 10.834 8.854 1.00 0.00 H new ATOM 0 HA PHE A 16 8.261 8.351 7.405 1.00 0.00 H new ATOM 0 HB2 PHE A 16 9.899 9.144 9.382 1.00 0.00 H new ATOM 0 HB3 PHE A 16 8.631 8.464 10.382 1.00 0.00 H new ATOM 0 HD1 PHE A 16 11.050 7.680 7.686 1.00 0.00 H new ATOM 0 HD2 PHE A 16 8.351 6.103 10.581 1.00 0.00 H new ATOM 0 HE1 PHE A 16 11.961 5.430 7.309 1.00 0.00 H new ATOM 0 HE2 PHE A 16 9.257 3.852 10.202 1.00 0.00 H new ATOM 0 HZ PHE A 16 11.066 3.512 8.568 1.00 0.00 H new ATOM 211 N GLU A 17 6.111 7.384 8.152 1.00 0.00 N ATOM 212 CA GLU A 17 4.787 6.872 8.488 1.00 0.00 C ATOM 213 C GLU A 17 4.756 5.348 8.406 1.00 0.00 C ATOM 214 O GLU A 17 5.418 4.749 7.560 1.00 0.00 O ATOM 215 CB GLU A 17 3.733 7.465 7.550 1.00 0.00 C ATOM 216 CG GLU A 17 2.434 7.831 8.249 1.00 0.00 C ATOM 217 CD GLU A 17 2.469 9.221 8.855 1.00 0.00 C ATOM 218 OE1 GLU A 17 2.572 10.201 8.088 1.00 0.00 O ATOM 219 OE2 GLU A 17 2.393 9.327 10.098 1.00 0.00 O ATOM 0 H GLU A 17 6.571 6.893 7.386 1.00 0.00 H new ATOM 0 HA GLU A 17 4.560 7.169 9.512 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.143 8.355 7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 17 3.520 6.748 6.757 1.00 0.00 H new ATOM 0 HG2 GLU A 17 1.612 7.770 7.535 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.230 7.102 9.033 1.00 0.00 H new ATOM 226 N GLN A 18 3.983 4.731 9.294 1.00 0.00 N ATOM 227 CA GLN A 18 3.867 3.277 9.324 1.00 0.00 C ATOM 228 C GLN A 18 2.429 2.840 9.060 1.00 0.00 C ATOM 229 O GLN A 18 1.490 3.373 9.652 1.00 0.00 O ATOM 230 CB GLN A 18 4.339 2.734 10.674 1.00 0.00 C ATOM 231 CG GLN A 18 5.771 2.226 10.659 1.00 0.00 C ATOM 232 CD GLN A 18 6.003 1.103 11.650 1.00 0.00 C ATOM 233 OE1 GLN A 18 5.678 1.225 12.832 1.00 0.00 O ATOM 234 NE2 GLN A 18 6.567 -0.001 11.173 1.00 0.00 N ATOM 0 H GLN A 18 3.429 5.214 10.001 1.00 0.00 H new ATOM 0 HA GLN A 18 4.501 2.871 8.536 1.00 0.00 H new ATOM 0 HB2 GLN A 18 4.249 3.520 11.424 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.678 1.923 10.981 1.00 0.00 H new ATOM 0 HG2 GLN A 18 6.018 1.877 9.656 1.00 0.00 H new ATOM 0 HG3 GLN A 18 6.447 3.050 10.885 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.820 -0.059 10.187 1.00 0.00 H new ATOM 0 HE22 GLN A 18 6.747 -0.791 11.793 1.00 0.00 H new ATOM 243 N LEU A 19 2.266 1.869 8.169 1.00 0.00 N ATOM 244 CA LEU A 19 0.942 1.360 7.826 1.00 0.00 C ATOM 245 C LEU A 19 0.905 -0.162 7.914 1.00 0.00 C ATOM 246 O LEU A 19 1.634 -0.852 7.203 1.00 0.00 O ATOM 247 CB LEU A 19 0.550 1.811 6.418 1.00 0.00 C ATOM 248 CG LEU A 19 -0.496 2.925 6.337 1.00 0.00 C ATOM 249 CD1 LEU A 19 -0.025 4.155 7.099 1.00 0.00 C ATOM 250 CD2 LEU A 19 -0.791 3.275 4.886 1.00 0.00 C ATOM 0 H LEU A 19 3.033 1.418 7.671 1.00 0.00 H new ATOM 0 HA LEU A 19 0.227 1.764 8.542 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.450 2.146 5.902 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.173 0.946 5.873 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.417 2.567 6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.781 4.937 7.031 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.135 3.896 8.145 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.909 4.515 6.667 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.537 4.069 4.848 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.124 3.613 4.400 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.172 2.394 4.369 1.00 0.00 H new ATOM 262 N SER A 20 0.048 -0.677 8.789 1.00 0.00 N ATOM 263 CA SER A 20 -0.084 -2.119 8.971 1.00 0.00 C ATOM 264 C SER A 20 -1.091 -2.701 7.984 1.00 0.00 C ATOM 265 O SER A 20 -2.266 -2.336 7.990 1.00 0.00 O ATOM 266 CB SER A 20 -0.516 -2.436 10.404 1.00 0.00 C ATOM 267 OG SER A 20 -1.908 -2.690 10.473 1.00 0.00 O ATOM 0 H SER A 20 -0.565 -0.119 9.383 1.00 0.00 H new ATOM 0 HA SER A 20 0.888 -2.575 8.783 1.00 0.00 H new ATOM 0 HB2 SER A 20 0.034 -3.304 10.769 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.263 -1.600 11.057 1.00 0.00 H new ATOM 0 HG SER A 20 -2.352 -2.295 9.694 1.00 0.00 H new ATOM 273 N VAL A 21 -0.621 -3.610 7.136 1.00 0.00 N ATOM 274 CA VAL A 21 -1.479 -4.244 6.142 1.00 0.00 C ATOM 275 C VAL A 21 -1.499 -5.758 6.321 1.00 0.00 C ATOM 276 O VAL A 21 -0.543 -6.365 6.803 1.00 0.00 O ATOM 277 CB VAL A 21 -1.017 -3.915 4.710 1.00 0.00 C ATOM 278 CG1 VAL A 21 -0.650 -2.443 4.593 1.00 0.00 C ATOM 279 CG2 VAL A 21 0.154 -4.799 4.310 1.00 0.00 C ATOM 0 H VAL A 21 0.349 -3.924 7.117 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.484 -3.848 6.292 1.00 0.00 H new ATOM 0 HB VAL A 21 -1.842 -4.115 4.026 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.326 -2.229 3.575 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -1.519 -1.831 4.834 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.159 -2.213 5.287 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.466 -4.552 3.295 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.985 -4.634 4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.149 -5.845 4.352 1.00 0.00 H new ATOM 289 N PRO A 22 -2.616 -6.386 5.925 1.00 0.00 N ATOM 290 CA PRO A 22 -2.790 -7.838 6.030 1.00 0.00 C ATOM 291 C PRO A 22 -1.899 -8.600 5.056 1.00 0.00 C ATOM 292 O PRO A 22 -1.569 -8.100 3.980 1.00 0.00 O ATOM 293 CB PRO A 22 -4.265 -8.046 5.680 1.00 0.00 C ATOM 294 CG PRO A 22 -4.622 -6.875 4.831 1.00 0.00 C ATOM 295 CD PRO A 22 -3.797 -5.726 5.341 1.00 0.00 C ATOM 0 HA PRO A 22 -2.516 -8.210 7.017 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -4.416 -8.984 5.145 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.883 -8.087 6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -4.407 -7.074 3.781 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -5.687 -6.652 4.901 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -3.520 -5.043 4.538 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.339 -5.141 6.084 1.00 0.00 H new ATOM 303 N GLN A 23 -1.513 -9.813 5.439 1.00 0.00 N ATOM 304 CA GLN A 23 -0.659 -10.643 4.597 1.00 0.00 C ATOM 305 C GLN A 23 -1.470 -11.316 3.495 1.00 0.00 C ATOM 306 O GLN A 23 -0.911 -11.905 2.570 1.00 0.00 O ATOM 307 CB GLN A 23 0.051 -11.702 5.443 1.00 0.00 C ATOM 308 CG GLN A 23 -0.818 -12.908 5.763 1.00 0.00 C ATOM 309 CD GLN A 23 -0.220 -14.208 5.263 1.00 0.00 C ATOM 310 OE1 GLN A 23 -0.880 -14.983 4.572 1.00 0.00 O ATOM 311 NE2 GLN A 23 1.039 -14.452 5.609 1.00 0.00 N ATOM 0 H GLN A 23 -1.778 -10.242 6.326 1.00 0.00 H new ATOM 0 HA GLN A 23 0.087 -9.999 4.132 1.00 0.00 H new ATOM 0 HB2 GLN A 23 0.944 -12.038 4.916 1.00 0.00 H new ATOM 0 HB3 GLN A 23 0.384 -11.247 6.376 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.963 -12.970 6.842 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.803 -12.770 5.316 1.00 0.00 H new ATOM 0 HE21 GLN A 23 1.549 -13.781 6.184 1.00 0.00 H new ATOM 0 HE22 GLN A 23 1.496 -15.310 5.300 1.00 0.00 H new ATOM 320 N ARG A 24 -2.792 -11.224 3.600 1.00 0.00 N ATOM 321 CA ARG A 24 -3.680 -11.825 2.612 1.00 0.00 C ATOM 322 C ARG A 24 -3.841 -10.913 1.399 1.00 0.00 C ATOM 323 O ARG A 24 -4.202 -11.366 0.314 1.00 0.00 O ATOM 324 CB ARG A 24 -5.049 -12.112 3.233 1.00 0.00 C ATOM 325 CG ARG A 24 -5.932 -10.881 3.355 1.00 0.00 C ATOM 326 CD ARG A 24 -6.949 -11.034 4.476 1.00 0.00 C ATOM 327 NE ARG A 24 -7.389 -9.743 4.996 1.00 0.00 N ATOM 328 CZ ARG A 24 -8.225 -9.609 6.020 1.00 0.00 C ATOM 329 NH1 ARG A 24 -8.708 -10.682 6.630 1.00 0.00 N ATOM 330 NH2 ARG A 24 -8.578 -8.400 6.436 1.00 0.00 N ATOM 0 H ARG A 24 -3.271 -10.739 4.359 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.234 -12.763 2.283 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.563 -12.859 2.629 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.906 -12.546 4.223 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.312 -10.004 3.542 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -6.451 -10.709 2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.812 -11.590 4.109 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.512 -11.620 5.284 1.00 0.00 H new ATOM 0 HE ARG A 24 -7.035 -8.897 4.549 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.438 -11.613 6.314 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.350 -10.576 7.416 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -8.208 -7.572 5.970 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -9.220 -8.298 7.222 1.00 0.00 H new ATOM 344 N SER A 25 -3.571 -9.626 1.593 1.00 0.00 N ATOM 345 CA SER A 25 -3.691 -8.650 0.517 1.00 0.00 C ATOM 346 C SER A 25 -2.328 -8.061 0.163 1.00 0.00 C ATOM 347 O SER A 25 -2.200 -7.285 -0.784 1.00 0.00 O ATOM 348 CB SER A 25 -4.653 -7.530 0.920 1.00 0.00 C ATOM 349 OG SER A 25 -5.890 -8.056 1.365 1.00 0.00 O ATOM 0 H SER A 25 -3.268 -9.235 2.485 1.00 0.00 H new ATOM 0 HA SER A 25 -4.086 -9.161 -0.361 1.00 0.00 H new ATOM 0 HB2 SER A 25 -4.205 -6.928 1.711 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.820 -6.867 0.071 1.00 0.00 H new ATOM 0 HG SER A 25 -6.486 -7.321 1.618 1.00 0.00 H new ATOM 355 N VAL A 26 -1.310 -8.438 0.932 1.00 0.00 N ATOM 356 CA VAL A 26 0.043 -7.950 0.701 1.00 0.00 C ATOM 357 C VAL A 26 0.563 -8.396 -0.662 1.00 0.00 C ATOM 358 O VAL A 26 1.388 -7.720 -1.275 1.00 0.00 O ATOM 359 CB VAL A 26 1.012 -8.442 1.792 1.00 0.00 C ATOM 360 CG1 VAL A 26 1.382 -9.900 1.561 1.00 0.00 C ATOM 361 CG2 VAL A 26 2.255 -7.568 1.835 1.00 0.00 C ATOM 0 H VAL A 26 -1.398 -9.080 1.720 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.005 -6.861 0.731 1.00 0.00 H new ATOM 0 HB VAL A 26 0.511 -8.368 2.757 1.00 0.00 H new ATOM 0 HG11 VAL A 26 2.067 -10.230 2.342 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.481 -10.513 1.587 1.00 0.00 H new ATOM 0 HG13 VAL A 26 1.863 -10.004 0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 26 2.928 -7.931 2.612 1.00 0.00 H new ATOM 0 HG22 VAL A 26 2.760 -7.606 0.870 1.00 0.00 H new ATOM 0 HG23 VAL A 26 1.969 -6.539 2.054 1.00 0.00 H new ATOM 371 N GLY A 27 0.073 -9.539 -1.131 1.00 0.00 N ATOM 372 CA GLY A 27 0.498 -10.056 -2.419 1.00 0.00 C ATOM 373 C GLY A 27 0.094 -9.154 -3.568 1.00 0.00 C ATOM 374 O GLY A 27 0.693 -9.199 -4.642 1.00 0.00 O ATOM 0 H GLY A 27 -0.611 -10.117 -0.642 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.581 -10.176 -2.419 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.067 -11.046 -2.570 1.00 0.00 H new ATOM 378 N ARG A 28 -0.927 -8.333 -3.343 1.00 0.00 N ATOM 379 CA ARG A 28 -1.413 -7.420 -4.370 1.00 0.00 C ATOM 380 C ARG A 28 -0.715 -6.067 -4.269 1.00 0.00 C ATOM 381 O ARG A 28 -0.534 -5.374 -5.270 1.00 0.00 O ATOM 382 CB ARG A 28 -2.926 -7.234 -4.242 1.00 0.00 C ATOM 383 CG ARG A 28 -3.558 -6.542 -5.440 1.00 0.00 C ATOM 384 CD ARG A 28 -4.119 -7.549 -6.433 1.00 0.00 C ATOM 385 NE ARG A 28 -3.152 -7.889 -7.473 1.00 0.00 N ATOM 386 CZ ARG A 28 -3.269 -8.946 -8.268 1.00 0.00 C ATOM 387 NH1 ARG A 28 -4.307 -9.761 -8.145 1.00 0.00 N ATOM 388 NH2 ARG A 28 -2.348 -9.189 -9.192 1.00 0.00 N ATOM 0 H ARG A 28 -1.433 -8.282 -2.459 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.187 -7.855 -5.344 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.394 -8.210 -4.108 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -3.138 -6.653 -3.344 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.355 -5.881 -5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -2.814 -5.917 -5.935 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.415 -8.454 -5.903 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.019 -7.141 -6.894 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.342 -7.281 -7.595 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -5.019 -9.577 -7.438 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.394 -10.572 -8.757 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.549 -8.563 -9.292 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.439 -10.001 -9.802 1.00 0.00 H new ATOM 402 N ILE A 29 -0.323 -5.698 -3.053 1.00 0.00 N ATOM 403 CA ILE A 29 0.356 -4.430 -2.821 1.00 0.00 C ATOM 404 C ILE A 29 1.834 -4.525 -3.183 1.00 0.00 C ATOM 405 O ILE A 29 2.358 -3.693 -3.924 1.00 0.00 O ATOM 406 CB ILE A 29 0.225 -3.981 -1.355 1.00 0.00 C ATOM 407 CG1 ILE A 29 -1.241 -4.013 -0.916 1.00 0.00 C ATOM 408 CG2 ILE A 29 0.806 -2.586 -1.173 1.00 0.00 C ATOM 409 CD1 ILE A 29 -1.426 -4.310 0.555 1.00 0.00 C ATOM 0 H ILE A 29 -0.465 -6.260 -2.214 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.126 -3.692 -3.462 1.00 0.00 H new ATOM 0 HB ILE A 29 0.788 -4.673 -0.729 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -1.701 -3.052 -1.145 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -1.770 -4.766 -1.500 1.00 0.00 H new ATOM 0 HG21 ILE A 29 0.706 -2.283 -0.131 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.860 -2.592 -1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.269 -1.882 -1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -2.489 -4.317 0.794 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -0.996 -5.284 0.786 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -0.926 -3.543 1.147 1.00 0.00 H new ATOM 421 N ILE A 30 2.503 -5.544 -2.654 1.00 0.00 N ATOM 422 CA ILE A 30 3.921 -5.750 -2.923 1.00 0.00 C ATOM 423 C ILE A 30 4.135 -6.369 -4.300 1.00 0.00 C ATOM 424 O ILE A 30 5.210 -6.249 -4.885 1.00 0.00 O ATOM 425 CB ILE A 30 4.570 -6.653 -1.859 1.00 0.00 C ATOM 426 CG1 ILE A 30 4.829 -5.863 -0.575 1.00 0.00 C ATOM 427 CG2 ILE A 30 5.865 -7.250 -2.389 1.00 0.00 C ATOM 428 CD1 ILE A 30 6.238 -5.323 -0.470 1.00 0.00 C ATOM 0 H ILE A 30 2.086 -6.240 -2.036 1.00 0.00 H new ATOM 0 HA ILE A 30 4.394 -4.769 -2.892 1.00 0.00 H new ATOM 0 HB ILE A 30 3.883 -7.468 -1.629 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.126 -5.032 -0.521 1.00 0.00 H new ATOM 0 HG13 ILE A 30 4.630 -6.505 0.283 1.00 0.00 H new ATOM 0 HG21 ILE A 30 6.312 -7.886 -1.625 1.00 0.00 H new ATOM 0 HG22 ILE A 30 5.655 -7.844 -3.278 1.00 0.00 H new ATOM 0 HG23 ILE A 30 6.558 -6.448 -2.644 1.00 0.00 H new ATOM 0 HD11 ILE A 30 6.349 -4.774 0.465 1.00 0.00 H new ATOM 0 HD12 ILE A 30 6.947 -6.150 -0.491 1.00 0.00 H new ATOM 0 HD13 ILE A 30 6.435 -4.655 -1.308 1.00 0.00 H new ATOM 440 N GLY A 31 3.102 -7.031 -4.812 1.00 0.00 N ATOM 441 CA GLY A 31 3.198 -7.658 -6.117 1.00 0.00 C ATOM 442 C GLY A 31 3.684 -9.092 -6.038 1.00 0.00 C ATOM 443 O GLY A 31 3.357 -9.815 -5.096 1.00 0.00 O ATOM 0 H GLY A 31 2.201 -7.144 -4.347 1.00 0.00 H new ATOM 0 HA2 GLY A 31 2.221 -7.635 -6.600 1.00 0.00 H new ATOM 0 HA3 GLY A 31 3.878 -7.081 -6.744 1.00 0.00 H new ATOM 447 N ARG A 32 4.468 -9.506 -7.029 1.00 0.00 N ATOM 448 CA ARG A 32 4.998 -10.862 -7.069 1.00 0.00 C ATOM 449 C ARG A 32 6.399 -10.916 -6.468 1.00 0.00 C ATOM 450 O ARG A 32 7.217 -11.753 -6.849 1.00 0.00 O ATOM 451 CB ARG A 32 5.028 -11.379 -8.508 1.00 0.00 C ATOM 452 CG ARG A 32 6.112 -10.742 -9.361 1.00 0.00 C ATOM 453 CD ARG A 32 5.966 -11.125 -10.825 1.00 0.00 C ATOM 454 NE ARG A 32 5.226 -10.121 -11.583 1.00 0.00 N ATOM 455 CZ ARG A 32 5.068 -10.163 -12.902 1.00 0.00 C ATOM 456 NH1 ARG A 32 5.595 -11.157 -13.604 1.00 0.00 N ATOM 457 NH2 ARG A 32 4.381 -9.211 -13.519 1.00 0.00 N ATOM 0 H ARG A 32 4.750 -8.920 -7.815 1.00 0.00 H new ATOM 0 HA ARG A 32 4.342 -11.499 -6.476 1.00 0.00 H new ATOM 0 HB2 ARG A 32 5.176 -12.459 -8.494 1.00 0.00 H new ATOM 0 HB3 ARG A 32 4.058 -11.196 -8.971 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.065 -9.658 -9.261 1.00 0.00 H new ATOM 0 HG3 ARG A 32 7.092 -11.053 -8.998 1.00 0.00 H new ATOM 0 HD2 ARG A 32 6.954 -11.256 -11.266 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.454 -12.085 -10.899 1.00 0.00 H new ATOM 0 HE ARG A 32 4.807 -9.344 -11.072 1.00 0.00 H new ATOM 0 HH11 ARG A 32 6.123 -11.891 -13.132 1.00 0.00 H new ATOM 0 HH12 ARG A 32 5.473 -11.187 -14.616 1.00 0.00 H new ATOM 0 HH21 ARG A 32 3.974 -8.446 -12.981 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.260 -9.244 -14.531 1.00 0.00 H new ATOM 471 N GLY A 33 6.670 -10.016 -5.528 1.00 0.00 N ATOM 472 CA GLY A 33 7.973 -9.978 -4.890 1.00 0.00 C ATOM 473 C GLY A 33 8.455 -8.563 -4.640 1.00 0.00 C ATOM 474 O GLY A 33 9.342 -8.337 -3.818 1.00 0.00 O ATOM 0 H GLY A 33 6.010 -9.312 -5.197 1.00 0.00 H new ATOM 0 HA2 GLY A 33 7.926 -10.515 -3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.696 -10.500 -5.517 1.00 0.00 H new ATOM 478 N GLY A 34 7.869 -7.605 -5.353 1.00 0.00 N ATOM 479 CA GLY A 34 8.258 -6.216 -5.189 1.00 0.00 C ATOM 480 C GLY A 34 7.989 -5.390 -6.432 1.00 0.00 C ATOM 481 O GLY A 34 7.855 -4.169 -6.355 1.00 0.00 O ATOM 0 H GLY A 34 7.133 -7.766 -6.040 1.00 0.00 H new ATOM 0 HA2 GLY A 34 7.716 -5.787 -4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 34 9.319 -6.165 -4.945 1.00 0.00 H new ATOM 485 N GLU A 35 7.910 -6.056 -7.579 1.00 0.00 N ATOM 486 CA GLU A 35 7.658 -5.373 -8.842 1.00 0.00 C ATOM 487 C GLU A 35 6.554 -4.331 -8.687 1.00 0.00 C ATOM 488 O GLU A 35 6.530 -3.325 -9.397 1.00 0.00 O ATOM 489 CB GLU A 35 7.272 -6.383 -9.925 1.00 0.00 C ATOM 490 CG GLU A 35 5.864 -6.932 -9.771 1.00 0.00 C ATOM 491 CD GLU A 35 4.820 -6.060 -10.440 1.00 0.00 C ATOM 492 OE1 GLU A 35 5.176 -4.952 -10.895 1.00 0.00 O ATOM 493 OE2 GLU A 35 3.648 -6.484 -10.509 1.00 0.00 O ATOM 0 H GLU A 35 8.017 -7.067 -7.660 1.00 0.00 H new ATOM 0 HA GLU A 35 8.575 -4.864 -9.139 1.00 0.00 H new ATOM 0 HB2 GLU A 35 7.363 -5.908 -10.902 1.00 0.00 H new ATOM 0 HB3 GLU A 35 7.980 -7.212 -9.906 1.00 0.00 H new ATOM 0 HG2 GLU A 35 5.821 -7.935 -10.196 1.00 0.00 H new ATOM 0 HG3 GLU A 35 5.629 -7.025 -8.711 1.00 0.00 H new ATOM 500 N THR A 36 5.641 -4.580 -7.753 1.00 0.00 N ATOM 501 CA THR A 36 4.534 -3.666 -7.504 1.00 0.00 C ATOM 502 C THR A 36 4.882 -2.666 -6.406 1.00 0.00 C ATOM 503 O THR A 36 4.441 -1.517 -6.439 1.00 0.00 O ATOM 504 CB THR A 36 3.256 -4.427 -7.103 1.00 0.00 C ATOM 505 OG1 THR A 36 2.926 -5.393 -8.106 1.00 0.00 O ATOM 506 CG2 THR A 36 2.091 -3.467 -6.914 1.00 0.00 C ATOM 0 H THR A 36 5.647 -5.407 -7.157 1.00 0.00 H new ATOM 0 HA THR A 36 4.352 -3.130 -8.435 1.00 0.00 H new ATOM 0 HB THR A 36 3.444 -4.935 -6.157 1.00 0.00 H new ATOM 0 HG1 THR A 36 2.113 -5.873 -7.843 1.00 0.00 H new ATOM 0 HG21 THR A 36 1.200 -4.027 -6.631 1.00 0.00 H new ATOM 0 HG22 THR A 36 2.333 -2.751 -6.129 1.00 0.00 H new ATOM 0 HG23 THR A 36 1.904 -2.934 -7.846 1.00 0.00 H new ATOM 514 N ILE A 37 5.674 -3.111 -5.438 1.00 0.00 N ATOM 515 CA ILE A 37 6.083 -2.254 -4.332 1.00 0.00 C ATOM 516 C ILE A 37 7.091 -1.206 -4.791 1.00 0.00 C ATOM 517 O ILE A 37 7.299 -0.194 -4.122 1.00 0.00 O ATOM 518 CB ILE A 37 6.699 -3.072 -3.182 1.00 0.00 C ATOM 519 CG1 ILE A 37 6.448 -2.379 -1.842 1.00 0.00 C ATOM 520 CG2 ILE A 37 8.190 -3.270 -3.412 1.00 0.00 C ATOM 521 CD1 ILE A 37 4.981 -2.187 -1.525 1.00 0.00 C ATOM 0 H ILE A 37 6.046 -4.060 -5.396 1.00 0.00 H new ATOM 0 HA ILE A 37 5.183 -1.756 -3.971 1.00 0.00 H new ATOM 0 HB ILE A 37 6.222 -4.052 -3.157 1.00 0.00 H new ATOM 0 HG12 ILE A 37 6.909 -2.965 -1.047 1.00 0.00 H new ATOM 0 HG13 ILE A 37 6.940 -1.407 -1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 37 8.611 -3.850 -2.591 1.00 0.00 H new ATOM 0 HG22 ILE A 37 8.346 -3.803 -4.350 1.00 0.00 H new ATOM 0 HG23 ILE A 37 8.683 -2.299 -3.460 1.00 0.00 H new ATOM 0 HD11 ILE A 37 4.879 -1.690 -0.560 1.00 0.00 H new ATOM 0 HD12 ILE A 37 4.519 -1.575 -2.299 1.00 0.00 H new ATOM 0 HD13 ILE A 37 4.487 -3.158 -1.487 1.00 0.00 H new ATOM 533 N ARG A 38 7.713 -1.455 -5.939 1.00 0.00 N ATOM 534 CA ARG A 38 8.700 -0.533 -6.489 1.00 0.00 C ATOM 535 C ARG A 38 8.033 0.505 -7.387 1.00 0.00 C ATOM 536 O ARG A 38 8.475 1.652 -7.462 1.00 0.00 O ATOM 537 CB ARG A 38 9.761 -1.300 -7.280 1.00 0.00 C ATOM 538 CG ARG A 38 10.497 -2.344 -6.457 1.00 0.00 C ATOM 539 CD ARG A 38 11.874 -2.638 -7.033 1.00 0.00 C ATOM 540 NE ARG A 38 12.802 -1.531 -6.824 1.00 0.00 N ATOM 541 CZ ARG A 38 14.091 -1.582 -7.145 1.00 0.00 C ATOM 542 NH1 ARG A 38 14.599 -2.680 -7.688 1.00 0.00 N ATOM 543 NH2 ARG A 38 14.873 -0.533 -6.925 1.00 0.00 N ATOM 0 H ARG A 38 7.551 -2.287 -6.506 1.00 0.00 H new ATOM 0 HA ARG A 38 9.179 -0.016 -5.658 1.00 0.00 H new ATOM 0 HB2 ARG A 38 9.285 -1.789 -8.130 1.00 0.00 H new ATOM 0 HB3 ARG A 38 10.484 -0.591 -7.683 1.00 0.00 H new ATOM 0 HG2 ARG A 38 10.598 -1.994 -5.430 1.00 0.00 H new ATOM 0 HG3 ARG A 38 9.911 -3.263 -6.425 1.00 0.00 H new ATOM 0 HD2 ARG A 38 12.275 -3.540 -6.571 1.00 0.00 H new ATOM 0 HD3 ARG A 38 11.785 -2.840 -8.100 1.00 0.00 H new ATOM 0 HE ARG A 38 12.442 -0.672 -6.409 1.00 0.00 H new ATOM 0 HH11 ARG A 38 14.000 -3.488 -7.860 1.00 0.00 H new ATOM 0 HH12 ARG A 38 15.588 -2.717 -7.933 1.00 0.00 H new ATOM 0 HH21 ARG A 38 14.485 0.314 -6.509 1.00 0.00 H new ATOM 0 HH22 ARG A 38 15.862 -0.573 -7.172 1.00 0.00 H new ATOM 557 N SER A 39 6.967 0.095 -8.066 1.00 0.00 N ATOM 558 CA SER A 39 6.241 0.988 -8.962 1.00 0.00 C ATOM 559 C SER A 39 5.551 2.099 -8.179 1.00 0.00 C ATOM 560 O SER A 39 5.381 3.213 -8.679 1.00 0.00 O ATOM 561 CB SER A 39 5.208 0.202 -9.773 1.00 0.00 C ATOM 562 OG SER A 39 5.034 0.767 -11.061 1.00 0.00 O ATOM 0 H SER A 39 6.587 -0.850 -8.013 1.00 0.00 H new ATOM 0 HA SER A 39 6.960 1.441 -9.645 1.00 0.00 H new ATOM 0 HB2 SER A 39 5.528 -0.836 -9.868 1.00 0.00 H new ATOM 0 HB3 SER A 39 4.255 0.194 -9.244 1.00 0.00 H new ATOM 0 HG SER A 39 4.371 0.246 -11.560 1.00 0.00 H new ATOM 568 N ILE A 40 5.154 1.791 -6.950 1.00 0.00 N ATOM 569 CA ILE A 40 4.483 2.764 -6.097 1.00 0.00 C ATOM 570 C ILE A 40 5.464 3.812 -5.581 1.00 0.00 C ATOM 571 O ILE A 40 5.137 4.997 -5.501 1.00 0.00 O ATOM 572 CB ILE A 40 3.798 2.084 -4.896 1.00 0.00 C ATOM 573 CG1 ILE A 40 2.878 0.959 -5.377 1.00 0.00 C ATOM 574 CG2 ILE A 40 3.016 3.104 -4.083 1.00 0.00 C ATOM 575 CD1 ILE A 40 2.471 0.001 -4.279 1.00 0.00 C ATOM 0 H ILE A 40 5.285 0.875 -6.522 1.00 0.00 H new ATOM 0 HA ILE A 40 3.724 3.250 -6.710 1.00 0.00 H new ATOM 0 HB ILE A 40 4.567 1.652 -4.255 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.982 1.396 -5.817 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.381 0.401 -6.167 1.00 0.00 H new ATOM 0 HG21 ILE A 40 2.538 2.607 -3.239 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.695 3.873 -3.715 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.254 3.564 -4.712 1.00 0.00 H new ATOM 0 HD11 ILE A 40 1.820 -0.770 -4.691 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.360 -0.464 -3.854 1.00 0.00 H new ATOM 0 HD13 ILE A 40 1.939 0.546 -3.499 1.00 0.00 H new ATOM 587 N CYS A 41 6.666 3.368 -5.235 1.00 0.00 N ATOM 588 CA CYS A 41 7.696 4.268 -4.727 1.00 0.00 C ATOM 589 C CYS A 41 8.069 5.313 -5.774 1.00 0.00 C ATOM 590 O CYS A 41 8.441 6.438 -5.440 1.00 0.00 O ATOM 591 CB CYS A 41 8.938 3.474 -4.316 1.00 0.00 C ATOM 592 SG CYS A 41 10.454 4.458 -4.252 1.00 0.00 S ATOM 0 H CYS A 41 6.952 2.391 -5.297 1.00 0.00 H new ATOM 0 HA CYS A 41 7.296 4.782 -3.853 1.00 0.00 H new ATOM 0 HB2 CYS A 41 8.764 3.029 -3.336 1.00 0.00 H new ATOM 0 HB3 CYS A 41 9.080 2.652 -5.018 1.00 0.00 H new ATOM 0 HG CYS A 41 10.179 5.697 -4.533 1.00 0.00 H new ATOM 598 N LYS A 42 7.970 4.933 -7.043 1.00 0.00 N ATOM 599 CA LYS A 42 8.297 5.835 -8.141 1.00 0.00 C ATOM 600 C LYS A 42 7.093 6.694 -8.516 1.00 0.00 C ATOM 601 O LYS A 42 7.245 7.816 -8.995 1.00 0.00 O ATOM 602 CB LYS A 42 8.768 5.039 -9.360 1.00 0.00 C ATOM 603 CG LYS A 42 7.646 4.323 -10.091 1.00 0.00 C ATOM 604 CD LYS A 42 8.004 4.059 -11.543 1.00 0.00 C ATOM 605 CE LYS A 42 8.744 2.741 -11.705 1.00 0.00 C ATOM 606 NZ LYS A 42 9.826 2.833 -12.723 1.00 0.00 N ATOM 0 H LYS A 42 7.665 4.005 -7.337 1.00 0.00 H new ATOM 0 HA LYS A 42 9.102 6.492 -7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 42 9.268 5.715 -10.053 1.00 0.00 H new ATOM 0 HB3 LYS A 42 9.508 4.305 -9.040 1.00 0.00 H new ATOM 0 HG2 LYS A 42 7.430 3.379 -9.591 1.00 0.00 H new ATOM 0 HG3 LYS A 42 6.738 4.924 -10.043 1.00 0.00 H new ATOM 0 HD2 LYS A 42 7.096 4.044 -12.145 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.623 4.873 -11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 42 9.171 2.444 -10.747 1.00 0.00 H new ATOM 0 HE3 LYS A 42 8.039 1.962 -11.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 10.306 1.914 -12.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 9.416 3.091 -13.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 10.513 3.558 -12.435 1.00 0.00 H new ATOM 620 N ALA A 43 5.897 6.158 -8.292 1.00 0.00 N ATOM 621 CA ALA A 43 4.668 6.877 -8.604 1.00 0.00 C ATOM 622 C ALA A 43 4.392 7.966 -7.573 1.00 0.00 C ATOM 623 O ALA A 43 3.758 8.977 -7.877 1.00 0.00 O ATOM 624 CB ALA A 43 3.496 5.910 -8.679 1.00 0.00 C ATOM 0 H ALA A 43 5.754 5.229 -7.896 1.00 0.00 H new ATOM 0 HA ALA A 43 4.793 7.356 -9.575 1.00 0.00 H new ATOM 0 HB1 ALA A 43 2.585 6.460 -8.913 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.683 5.171 -9.458 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.379 5.405 -7.720 1.00 0.00 H new ATOM 630 N SER A 44 4.874 7.753 -6.351 1.00 0.00 N ATOM 631 CA SER A 44 4.675 8.716 -5.274 1.00 0.00 C ATOM 632 C SER A 44 5.973 9.453 -4.959 1.00 0.00 C ATOM 633 O SER A 44 5.962 10.639 -4.629 1.00 0.00 O ATOM 634 CB SER A 44 4.160 8.009 -4.019 1.00 0.00 C ATOM 635 OG SER A 44 4.960 6.883 -3.703 1.00 0.00 O ATOM 0 H SER A 44 5.404 6.924 -6.083 1.00 0.00 H new ATOM 0 HA SER A 44 3.934 9.444 -5.603 1.00 0.00 H new ATOM 0 HB2 SER A 44 4.159 8.705 -3.180 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.128 7.694 -4.173 1.00 0.00 H new ATOM 0 HG SER A 44 4.663 6.112 -4.230 1.00 0.00 H new ATOM 641 N GLY A 45 7.092 8.742 -5.063 1.00 0.00 N ATOM 642 CA GLY A 45 8.383 9.345 -4.786 1.00 0.00 C ATOM 643 C GLY A 45 8.891 9.013 -3.397 1.00 0.00 C ATOM 644 O GLY A 45 10.056 9.251 -3.082 1.00 0.00 O ATOM 0 H GLY A 45 7.127 7.759 -5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 45 9.107 9.003 -5.526 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.306 10.427 -4.892 1.00 0.00 H new ATOM 648 N ALA A 46 8.014 8.464 -2.563 1.00 0.00 N ATOM 649 CA ALA A 46 8.381 8.100 -1.200 1.00 0.00 C ATOM 650 C ALA A 46 8.828 6.644 -1.123 1.00 0.00 C ATOM 651 O ALA A 46 8.359 5.798 -1.883 1.00 0.00 O ATOM 652 CB ALA A 46 7.213 8.346 -0.256 1.00 0.00 C ATOM 0 H ALA A 46 7.045 8.262 -2.807 1.00 0.00 H new ATOM 0 HA ALA A 46 9.219 8.727 -0.895 1.00 0.00 H new ATOM 0 HB1 ALA A 46 7.501 8.070 0.758 1.00 0.00 H new ATOM 0 HB2 ALA A 46 6.941 9.401 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 46 6.360 7.743 -0.568 1.00 0.00 H new ATOM 658 N LYS A 47 9.739 6.360 -0.199 1.00 0.00 N ATOM 659 CA LYS A 47 10.251 5.005 -0.020 1.00 0.00 C ATOM 660 C LYS A 47 9.286 4.164 0.810 1.00 0.00 C ATOM 661 O LYS A 47 8.973 4.507 1.951 1.00 0.00 O ATOM 662 CB LYS A 47 11.624 5.042 0.655 1.00 0.00 C ATOM 663 CG LYS A 47 12.057 3.702 1.226 1.00 0.00 C ATOM 664 CD LYS A 47 12.520 2.754 0.132 1.00 0.00 C ATOM 665 CE LYS A 47 12.187 1.309 0.471 1.00 0.00 C ATOM 666 NZ LYS A 47 12.502 0.389 -0.657 1.00 0.00 N ATOM 0 H LYS A 47 10.139 7.049 0.438 1.00 0.00 H new ATOM 0 HA LYS A 47 10.349 4.547 -1.004 1.00 0.00 H new ATOM 0 HB2 LYS A 47 12.367 5.376 -0.069 1.00 0.00 H new ATOM 0 HB3 LYS A 47 11.606 5.780 1.457 1.00 0.00 H new ATOM 0 HG2 LYS A 47 12.864 3.854 1.943 1.00 0.00 H new ATOM 0 HG3 LYS A 47 11.227 3.252 1.771 1.00 0.00 H new ATOM 0 HD2 LYS A 47 12.047 3.026 -0.811 1.00 0.00 H new ATOM 0 HD3 LYS A 47 13.596 2.857 -0.010 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.747 1.005 1.355 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.129 1.229 0.721 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 12.261 -0.586 -0.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 11.949 0.663 -1.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.516 0.446 -0.879 1.00 0.00 H new ATOM 680 N ILE A 48 8.821 3.062 0.232 1.00 0.00 N ATOM 681 CA ILE A 48 7.895 2.172 0.920 1.00 0.00 C ATOM 682 C ILE A 48 8.532 0.812 1.184 1.00 0.00 C ATOM 683 O ILE A 48 8.920 0.104 0.253 1.00 0.00 O ATOM 684 CB ILE A 48 6.600 1.971 0.110 1.00 0.00 C ATOM 685 CG1 ILE A 48 6.046 3.321 -0.350 1.00 0.00 C ATOM 686 CG2 ILE A 48 5.568 1.223 0.939 1.00 0.00 C ATOM 687 CD1 ILE A 48 6.226 3.575 -1.830 1.00 0.00 C ATOM 0 H ILE A 48 9.070 2.764 -0.711 1.00 0.00 H new ATOM 0 HA ILE A 48 7.650 2.646 1.870 1.00 0.00 H new ATOM 0 HB ILE A 48 6.829 1.374 -0.773 1.00 0.00 H new ATOM 0 HG12 ILE A 48 4.984 3.371 -0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 48 6.538 4.116 0.209 1.00 0.00 H new ATOM 0 HG21 ILE A 48 4.659 1.089 0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 48 5.965 0.248 1.221 1.00 0.00 H new ATOM 0 HG23 ILE A 48 5.339 1.795 1.838 1.00 0.00 H new ATOM 0 HD11 ILE A 48 5.810 4.550 -2.085 1.00 0.00 H new ATOM 0 HD12 ILE A 48 7.288 3.558 -2.076 1.00 0.00 H new ATOM 0 HD13 ILE A 48 5.710 2.801 -2.397 1.00 0.00 H new ATOM 699 N THR A 49 8.638 0.450 2.459 1.00 0.00 N ATOM 700 CA THR A 49 9.228 -0.825 2.846 1.00 0.00 C ATOM 701 C THR A 49 8.277 -1.625 3.729 1.00 0.00 C ATOM 702 O THR A 49 7.289 -1.092 4.236 1.00 0.00 O ATOM 703 CB THR A 49 10.559 -0.624 3.594 1.00 0.00 C ATOM 704 OG1 THR A 49 11.264 -1.867 3.682 1.00 0.00 O ATOM 705 CG2 THR A 49 10.317 -0.072 4.991 1.00 0.00 C ATOM 0 H THR A 49 8.322 1.023 3.242 1.00 0.00 H new ATOM 0 HA THR A 49 9.417 -1.378 1.926 1.00 0.00 H new ATOM 0 HB THR A 49 11.159 0.095 3.036 1.00 0.00 H new ATOM 0 HG1 THR A 49 12.110 -1.730 4.157 1.00 0.00 H new ATOM 0 HG21 THR A 49 11.272 0.062 5.500 1.00 0.00 H new ATOM 0 HG22 THR A 49 9.807 0.888 4.919 1.00 0.00 H new ATOM 0 HG23 THR A 49 9.699 -0.770 5.556 1.00 0.00 H new ATOM 713 N CYS A 50 8.582 -2.905 3.908 1.00 0.00 N ATOM 714 CA CYS A 50 7.753 -3.780 4.731 1.00 0.00 C ATOM 715 C CYS A 50 8.531 -4.284 5.942 1.00 0.00 C ATOM 716 O CYS A 50 9.711 -4.620 5.839 1.00 0.00 O ATOM 717 CB CYS A 50 7.248 -4.964 3.906 1.00 0.00 C ATOM 718 SG CYS A 50 8.456 -6.294 3.708 1.00 0.00 S ATOM 0 H CYS A 50 9.396 -3.360 3.495 1.00 0.00 H new ATOM 0 HA CYS A 50 6.899 -3.203 5.084 1.00 0.00 H new ATOM 0 HB2 CYS A 50 6.353 -5.368 4.380 1.00 0.00 H new ATOM 0 HB3 CYS A 50 6.953 -4.606 2.920 1.00 0.00 H new ATOM 0 HG CYS A 50 9.459 -6.092 4.509 1.00 0.00 H new ATOM 858 N LEU A 60 0.221 -13.041 10.556 1.00 0.00 N ATOM 859 CA LEU A 60 -1.168 -12.705 10.262 1.00 0.00 C ATOM 860 C LEU A 60 -1.251 -11.520 9.304 1.00 0.00 C ATOM 861 O LEU A 60 -1.897 -11.597 8.260 1.00 0.00 O ATOM 862 CB LEU A 60 -1.920 -12.385 11.554 1.00 0.00 C ATOM 863 CG LEU A 60 -1.910 -13.476 12.624 1.00 0.00 C ATOM 864 CD1 LEU A 60 -2.297 -12.901 13.978 1.00 0.00 C ATOM 865 CD2 LEU A 60 -2.847 -14.611 12.238 1.00 0.00 C ATOM 0 HA LEU A 60 -1.631 -13.568 9.784 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.494 -11.479 11.984 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -2.956 -12.161 11.302 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.898 -13.875 12.698 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.284 -13.693 14.727 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.587 -12.124 14.260 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.298 -12.474 13.919 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -2.827 -15.379 13.012 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -3.862 -14.226 12.135 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -2.525 -15.042 11.290 1.00 0.00 H new ATOM 877 N SER A 61 -0.590 -10.425 9.668 1.00 0.00 N ATOM 878 CA SER A 61 -0.591 -9.223 8.842 1.00 0.00 C ATOM 879 C SER A 61 0.807 -8.618 8.762 1.00 0.00 C ATOM 880 O SER A 61 1.604 -8.744 9.693 1.00 0.00 O ATOM 881 CB SER A 61 -1.573 -8.193 9.405 1.00 0.00 C ATOM 882 OG SER A 61 -2.865 -8.754 9.563 1.00 0.00 O ATOM 0 H SER A 61 -0.048 -10.346 10.528 1.00 0.00 H new ATOM 0 HA SER A 61 -0.905 -9.503 7.836 1.00 0.00 H new ATOM 0 HB2 SER A 61 -1.211 -7.828 10.366 1.00 0.00 H new ATOM 0 HB3 SER A 61 -1.626 -7.333 8.737 1.00 0.00 H new ATOM 0 HG SER A 61 -3.474 -8.077 9.925 1.00 0.00 H new ATOM 888 N ARG A 62 1.098 -7.962 7.644 1.00 0.00 N ATOM 889 CA ARG A 62 2.400 -7.339 7.441 1.00 0.00 C ATOM 890 C ARG A 62 2.343 -5.846 7.751 1.00 0.00 C ATOM 891 O ARG A 62 1.265 -5.283 7.948 1.00 0.00 O ATOM 892 CB ARG A 62 2.874 -7.553 6.002 1.00 0.00 C ATOM 893 CG ARG A 62 3.602 -8.870 5.791 1.00 0.00 C ATOM 894 CD ARG A 62 4.929 -8.665 5.077 1.00 0.00 C ATOM 895 NE ARG A 62 5.120 -9.623 3.992 1.00 0.00 N ATOM 896 CZ ARG A 62 6.312 -9.966 3.516 1.00 0.00 C ATOM 897 NH1 ARG A 62 7.413 -9.432 4.028 1.00 0.00 N ATOM 898 NH2 ARG A 62 6.405 -10.845 2.525 1.00 0.00 N ATOM 0 H ARG A 62 0.450 -7.848 6.865 1.00 0.00 H new ATOM 0 HA ARG A 62 3.109 -7.808 8.124 1.00 0.00 H new ATOM 0 HB2 ARG A 62 2.013 -7.512 5.335 1.00 0.00 H new ATOM 0 HB3 ARG A 62 3.535 -6.733 5.720 1.00 0.00 H new ATOM 0 HG2 ARG A 62 3.776 -9.349 6.754 1.00 0.00 H new ATOM 0 HG3 ARG A 62 2.975 -9.545 5.208 1.00 0.00 H new ATOM 0 HD2 ARG A 62 4.973 -7.652 4.678 1.00 0.00 H new ATOM 0 HD3 ARG A 62 5.745 -8.761 5.793 1.00 0.00 H new ATOM 0 HE ARG A 62 4.293 -10.052 3.577 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.346 -8.756 4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 62 8.327 -9.697 3.661 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.561 -11.258 2.128 1.00 0.00 H new ATOM 0 HH22 ARG A 62 7.321 -11.108 2.160 1.00 0.00 H new ATOM 912 N LEU A 63 3.509 -5.210 7.794 1.00 0.00 N ATOM 913 CA LEU A 63 3.591 -3.782 8.080 1.00 0.00 C ATOM 914 C LEU A 63 4.315 -3.043 6.959 1.00 0.00 C ATOM 915 O LEU A 63 5.115 -3.630 6.231 1.00 0.00 O ATOM 916 CB LEU A 63 4.314 -3.549 9.409 1.00 0.00 C ATOM 917 CG LEU A 63 3.736 -2.452 10.303 1.00 0.00 C ATOM 918 CD1 LEU A 63 4.393 -2.481 11.675 1.00 0.00 C ATOM 919 CD2 LEU A 63 3.913 -1.087 9.654 1.00 0.00 C ATOM 0 H LEU A 63 4.410 -5.661 7.635 1.00 0.00 H new ATOM 0 HA LEU A 63 2.576 -3.392 8.152 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.314 -4.484 9.969 1.00 0.00 H new ATOM 0 HB3 LEU A 63 5.355 -3.306 9.196 1.00 0.00 H new ATOM 0 HG LEU A 63 2.669 -2.637 10.429 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.969 -1.693 12.298 1.00 0.00 H new ATOM 0 HD12 LEU A 63 4.215 -3.449 12.143 1.00 0.00 H new ATOM 0 HD13 LEU A 63 5.466 -2.321 11.568 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.496 -0.318 10.304 1.00 0.00 H new ATOM 0 HD22 LEU A 63 4.974 -0.893 9.498 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.396 -1.070 8.695 1.00 0.00 H new ATOM 931 N ILE A 64 4.029 -1.752 6.828 1.00 0.00 N ATOM 932 CA ILE A 64 4.654 -0.932 5.798 1.00 0.00 C ATOM 933 C ILE A 64 5.223 0.354 6.389 1.00 0.00 C ATOM 934 O ILE A 64 4.704 0.881 7.372 1.00 0.00 O ATOM 935 CB ILE A 64 3.656 -0.573 4.681 1.00 0.00 C ATOM 936 CG1 ILE A 64 3.150 -1.841 3.992 1.00 0.00 C ATOM 937 CG2 ILE A 64 4.306 0.362 3.671 1.00 0.00 C ATOM 938 CD1 ILE A 64 4.119 -2.404 2.975 1.00 0.00 C ATOM 0 H ILE A 64 3.368 -1.251 7.422 1.00 0.00 H new ATOM 0 HA ILE A 64 5.465 -1.524 5.373 1.00 0.00 H new ATOM 0 HB ILE A 64 2.804 -0.060 5.126 1.00 0.00 H new ATOM 0 HG12 ILE A 64 2.948 -2.600 4.748 1.00 0.00 H new ATOM 0 HG13 ILE A 64 2.203 -1.623 3.498 1.00 0.00 H new ATOM 0 HG21 ILE A 64 3.589 0.607 2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.622 1.277 4.173 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.174 -0.127 3.228 1.00 0.00 H new ATOM 0 HD11 ILE A 64 3.695 -3.302 2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 64 4.303 -1.662 2.198 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.059 -2.654 3.467 1.00 0.00 H new ATOM 950 N LYS A 65 6.294 0.854 5.782 1.00 0.00 N ATOM 951 CA LYS A 65 6.933 2.079 6.244 1.00 0.00 C ATOM 952 C LYS A 65 7.123 3.063 5.093 1.00 0.00 C ATOM 953 O LYS A 65 7.992 2.875 4.241 1.00 0.00 O ATOM 954 CB LYS A 65 8.286 1.763 6.886 1.00 0.00 C ATOM 955 CG LYS A 65 8.229 1.646 8.399 1.00 0.00 C ATOM 956 CD LYS A 65 9.555 1.179 8.973 1.00 0.00 C ATOM 957 CE LYS A 65 9.549 -0.318 9.243 1.00 0.00 C ATOM 958 NZ LYS A 65 10.042 -1.095 8.072 1.00 0.00 N ATOM 0 H LYS A 65 6.738 0.429 4.968 1.00 0.00 H new ATOM 0 HA LYS A 65 6.282 2.539 6.988 1.00 0.00 H new ATOM 0 HB2 LYS A 65 8.666 0.829 6.472 1.00 0.00 H new ATOM 0 HB3 LYS A 65 8.998 2.544 6.617 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.965 2.612 8.830 1.00 0.00 H new ATOM 0 HG3 LYS A 65 7.443 0.946 8.681 1.00 0.00 H new ATOM 0 HD2 LYS A 65 10.359 1.421 8.278 1.00 0.00 H new ATOM 0 HD3 LYS A 65 9.761 1.716 9.899 1.00 0.00 H new ATOM 0 HE2 LYS A 65 10.173 -0.533 10.110 1.00 0.00 H new ATOM 0 HE3 LYS A 65 8.537 -0.638 9.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 10.513 -1.961 8.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.239 -1.349 7.461 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 10.718 -0.518 7.532 1.00 0.00 H new ATOM 972 N ILE A 66 6.304 4.110 5.074 1.00 0.00 N ATOM 973 CA ILE A 66 6.385 5.122 4.029 1.00 0.00 C ATOM 974 C ILE A 66 7.219 6.316 4.482 1.00 0.00 C ATOM 975 O ILE A 66 6.907 6.960 5.483 1.00 0.00 O ATOM 976 CB ILE A 66 4.986 5.616 3.615 1.00 0.00 C ATOM 977 CG1 ILE A 66 4.107 4.435 3.197 1.00 0.00 C ATOM 978 CG2 ILE A 66 5.094 6.629 2.485 1.00 0.00 C ATOM 979 CD1 ILE A 66 2.726 4.463 3.812 1.00 0.00 C ATOM 0 H ILE A 66 5.578 4.279 5.770 1.00 0.00 H new ATOM 0 HA ILE A 66 6.865 4.651 3.171 1.00 0.00 H new ATOM 0 HB ILE A 66 4.522 6.105 4.471 1.00 0.00 H new ATOM 0 HG12 ILE A 66 4.012 4.429 2.111 1.00 0.00 H new ATOM 0 HG13 ILE A 66 4.603 3.506 3.479 1.00 0.00 H new ATOM 0 HG21 ILE A 66 4.097 6.968 2.204 1.00 0.00 H new ATOM 0 HG22 ILE A 66 5.688 7.481 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 66 5.575 6.164 1.624 1.00 0.00 H new ATOM 0 HD11 ILE A 66 2.159 3.597 3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 66 2.811 4.437 4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.211 5.375 3.510 1.00 0.00 H new ATOM 991 N SER A 67 8.281 6.605 3.737 1.00 0.00 N ATOM 992 CA SER A 67 9.163 7.721 4.064 1.00 0.00 C ATOM 993 C SER A 67 9.288 8.678 2.882 1.00 0.00 C ATOM 994 O SER A 67 9.207 8.268 1.726 1.00 0.00 O ATOM 995 CB SER A 67 10.546 7.204 4.464 1.00 0.00 C ATOM 996 OG SER A 67 10.990 6.193 3.575 1.00 0.00 O ATOM 0 H SER A 67 8.552 6.083 2.904 1.00 0.00 H new ATOM 0 HA SER A 67 8.728 8.263 4.904 1.00 0.00 H new ATOM 0 HB2 SER A 67 11.259 8.029 4.467 1.00 0.00 H new ATOM 0 HB3 SER A 67 10.510 6.810 5.480 1.00 0.00 H new ATOM 0 HG SER A 67 11.877 5.881 3.852 1.00 0.00 H new ATOM 1002 N GLY A 68 9.485 9.957 3.185 1.00 0.00 N ATOM 1003 CA GLY A 68 9.618 10.955 2.139 1.00 0.00 C ATOM 1004 C GLY A 68 9.034 12.295 2.539 1.00 0.00 C ATOM 1005 O GLY A 68 8.796 12.550 3.719 1.00 0.00 O ATOM 0 H GLY A 68 9.555 10.320 4.136 1.00 0.00 H new ATOM 0 HA2 GLY A 68 10.672 11.081 1.893 1.00 0.00 H new ATOM 0 HA3 GLY A 68 9.120 10.600 1.237 1.00 0.00 H new ATOM 1009 N THR A 69 8.808 13.158 1.553 1.00 0.00 N ATOM 1010 CA THR A 69 8.252 14.481 1.808 1.00 0.00 C ATOM 1011 C THR A 69 6.745 14.412 2.030 1.00 0.00 C ATOM 1012 O THR A 69 6.061 13.573 1.443 1.00 0.00 O ATOM 1013 CB THR A 69 8.545 15.447 0.646 1.00 0.00 C ATOM 1014 OG1 THR A 69 7.767 15.084 -0.501 1.00 0.00 O ATOM 1015 CG2 THR A 69 10.023 15.431 0.287 1.00 0.00 C ATOM 0 H THR A 69 9.002 12.964 0.570 1.00 0.00 H new ATOM 0 HA THR A 69 8.732 14.856 2.712 1.00 0.00 H new ATOM 0 HB THR A 69 8.276 16.454 0.964 1.00 0.00 H new ATOM 0 HG1 THR A 69 7.958 15.704 -1.235 1.00 0.00 H new ATOM 0 HG21 THR A 69 10.205 16.121 -0.537 1.00 0.00 H new ATOM 0 HG22 THR A 69 10.611 15.736 1.153 1.00 0.00 H new ATOM 0 HG23 THR A 69 10.314 14.424 -0.013 1.00 0.00 H new ATOM 1023 N GLN A 70 6.235 15.299 2.877 1.00 0.00 N ATOM 1024 CA GLN A 70 4.808 15.337 3.175 1.00 0.00 C ATOM 1025 C GLN A 70 3.984 15.002 1.936 1.00 0.00 C ATOM 1026 O GLN A 70 2.930 14.374 2.029 1.00 0.00 O ATOM 1027 CB GLN A 70 4.413 16.716 3.707 1.00 0.00 C ATOM 1028 CG GLN A 70 3.127 16.711 4.516 1.00 0.00 C ATOM 1029 CD GLN A 70 3.289 16.046 5.868 1.00 0.00 C ATOM 1030 OE1 GLN A 70 4.331 16.173 6.514 1.00 0.00 O ATOM 1031 NE2 GLN A 70 2.260 15.332 6.305 1.00 0.00 N ATOM 0 H GLN A 70 6.788 16.001 3.369 1.00 0.00 H new ATOM 0 HA GLN A 70 4.602 14.588 3.939 1.00 0.00 H new ATOM 0 HB2 GLN A 70 5.221 17.102 4.328 1.00 0.00 H new ATOM 0 HB3 GLN A 70 4.301 17.402 2.867 1.00 0.00 H new ATOM 0 HG2 GLN A 70 2.788 17.737 4.659 1.00 0.00 H new ATOM 0 HG3 GLN A 70 2.350 16.194 3.952 1.00 0.00 H new ATOM 0 HE21 GLN A 70 1.416 15.253 5.738 1.00 0.00 H new ATOM 0 HE22 GLN A 70 2.313 14.862 7.209 1.00 0.00 H new ATOM 1040 N LYS A 71 4.472 15.426 0.775 1.00 0.00 N ATOM 1041 CA LYS A 71 3.783 15.171 -0.484 1.00 0.00 C ATOM 1042 C LYS A 71 3.719 13.674 -0.775 1.00 0.00 C ATOM 1043 O LYS A 71 2.636 13.110 -0.929 1.00 0.00 O ATOM 1044 CB LYS A 71 4.489 15.895 -1.632 1.00 0.00 C ATOM 1045 CG LYS A 71 4.218 17.388 -1.668 1.00 0.00 C ATOM 1046 CD LYS A 71 2.734 17.683 -1.810 1.00 0.00 C ATOM 1047 CE LYS A 71 2.486 19.137 -2.181 1.00 0.00 C ATOM 1048 NZ LYS A 71 1.683 19.260 -3.430 1.00 0.00 N ATOM 0 H LYS A 71 5.343 15.948 0.680 1.00 0.00 H new ATOM 0 HA LYS A 71 2.765 15.550 -0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 71 5.563 15.731 -1.547 1.00 0.00 H new ATOM 0 HB3 LYS A 71 4.173 15.454 -2.577 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.596 17.849 -0.755 1.00 0.00 H new ATOM 0 HG3 LYS A 71 4.760 17.837 -2.500 1.00 0.00 H new ATOM 0 HD2 LYS A 71 2.305 17.034 -2.573 1.00 0.00 H new ATOM 0 HD3 LYS A 71 2.225 17.454 -0.874 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.966 19.637 -1.364 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.441 19.647 -2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 1.535 20.266 -3.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 2.191 18.805 -4.215 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 0.762 18.795 -3.298 1.00 0.00 H new ATOM 1062 N GLU A 72 4.884 13.040 -0.849 1.00 0.00 N ATOM 1063 CA GLU A 72 4.959 11.610 -1.121 1.00 0.00 C ATOM 1064 C GLU A 72 4.295 10.808 -0.005 1.00 0.00 C ATOM 1065 O GLU A 72 3.241 10.202 -0.202 1.00 0.00 O ATOM 1066 CB GLU A 72 6.416 11.173 -1.280 1.00 0.00 C ATOM 1067 CG GLU A 72 7.283 12.192 -2.002 1.00 0.00 C ATOM 1068 CD GLU A 72 6.651 12.685 -3.289 1.00 0.00 C ATOM 1069 OE1 GLU A 72 5.449 13.023 -3.270 1.00 0.00 O ATOM 1070 OE2 GLU A 72 7.361 12.735 -4.316 1.00 0.00 O ATOM 0 H GLU A 72 5.789 13.494 -0.724 1.00 0.00 H new ATOM 0 HA GLU A 72 4.426 11.416 -2.052 1.00 0.00 H new ATOM 0 HB2 GLU A 72 6.839 10.983 -0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 72 6.446 10.231 -1.827 1.00 0.00 H new ATOM 0 HG2 GLU A 72 7.466 13.041 -1.343 1.00 0.00 H new ATOM 0 HG3 GLU A 72 8.253 11.746 -2.225 1.00 0.00 H new ATOM 1077 N VAL A 73 4.920 10.809 1.169 1.00 0.00 N ATOM 1078 CA VAL A 73 4.391 10.082 2.316 1.00 0.00 C ATOM 1079 C VAL A 73 2.870 10.178 2.373 1.00 0.00 C ATOM 1080 O VAL A 73 2.201 9.277 2.879 1.00 0.00 O ATOM 1081 CB VAL A 73 4.977 10.618 3.637 1.00 0.00 C ATOM 1082 CG1 VAL A 73 4.339 9.917 4.827 1.00 0.00 C ATOM 1083 CG2 VAL A 73 6.488 10.447 3.656 1.00 0.00 C ATOM 0 H VAL A 73 5.793 11.305 1.350 1.00 0.00 H new ATOM 0 HA VAL A 73 4.682 9.039 2.193 1.00 0.00 H new ATOM 0 HB VAL A 73 4.753 11.682 3.709 1.00 0.00 H new ATOM 0 HG11 VAL A 73 4.765 10.308 5.751 1.00 0.00 H new ATOM 0 HG12 VAL A 73 3.263 10.094 4.820 1.00 0.00 H new ATOM 0 HG13 VAL A 73 4.531 8.846 4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 73 6.886 10.831 4.596 1.00 0.00 H new ATOM 0 HG22 VAL A 73 6.736 9.390 3.562 1.00 0.00 H new ATOM 0 HG23 VAL A 73 6.927 10.998 2.824 1.00 0.00 H new ATOM 1093 N ALA A 74 2.331 11.274 1.851 1.00 0.00 N ATOM 1094 CA ALA A 74 0.889 11.485 1.839 1.00 0.00 C ATOM 1095 C ALA A 74 0.250 10.852 0.608 1.00 0.00 C ATOM 1096 O ALA A 74 -0.834 10.277 0.686 1.00 0.00 O ATOM 1097 CB ALA A 74 0.573 12.972 1.894 1.00 0.00 C ATOM 0 H ALA A 74 2.871 12.030 1.431 1.00 0.00 H new ATOM 0 HA ALA A 74 0.470 11.002 2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.508 13.115 1.884 1.00 0.00 H new ATOM 0 HB2 ALA A 74 0.987 13.398 2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.012 13.470 1.030 1.00 0.00 H new ATOM 1103 N ALA A 75 0.931 10.962 -0.528 1.00 0.00 N ATOM 1104 CA ALA A 75 0.431 10.398 -1.776 1.00 0.00 C ATOM 1105 C ALA A 75 0.624 8.886 -1.812 1.00 0.00 C ATOM 1106 O ALA A 75 -0.330 8.133 -2.007 1.00 0.00 O ATOM 1107 CB ALA A 75 1.123 11.049 -2.965 1.00 0.00 C ATOM 0 H ALA A 75 1.830 11.436 -0.610 1.00 0.00 H new ATOM 0 HA ALA A 75 -0.638 10.603 -1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.740 10.618 -3.890 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.929 12.122 -2.957 1.00 0.00 H new ATOM 0 HB3 ALA A 75 2.197 10.874 -2.901 1.00 0.00 H new ATOM 1113 N ALA A 76 1.865 8.448 -1.622 1.00 0.00 N ATOM 1114 CA ALA A 76 2.183 7.026 -1.632 1.00 0.00 C ATOM 1115 C ALA A 76 1.244 6.247 -0.715 1.00 0.00 C ATOM 1116 O ALA A 76 0.869 5.113 -1.011 1.00 0.00 O ATOM 1117 CB ALA A 76 3.630 6.805 -1.220 1.00 0.00 C ATOM 0 H ALA A 76 2.666 9.058 -1.459 1.00 0.00 H new ATOM 0 HA ALA A 76 2.046 6.656 -2.648 1.00 0.00 H new ATOM 0 HB1 ALA A 76 3.853 5.738 -1.232 1.00 0.00 H new ATOM 0 HB2 ALA A 76 4.290 7.321 -1.917 1.00 0.00 H new ATOM 0 HB3 ALA A 76 3.786 7.197 -0.215 1.00 0.00 H new ATOM 1123 N LYS A 77 0.871 6.863 0.402 1.00 0.00 N ATOM 1124 CA LYS A 77 -0.024 6.229 1.362 1.00 0.00 C ATOM 1125 C LYS A 77 -1.328 5.803 0.694 1.00 0.00 C ATOM 1126 O LYS A 77 -1.897 4.764 1.027 1.00 0.00 O ATOM 1127 CB LYS A 77 -0.321 7.184 2.520 1.00 0.00 C ATOM 1128 CG LYS A 77 -0.795 6.483 3.781 1.00 0.00 C ATOM 1129 CD LYS A 77 -1.527 7.437 4.710 1.00 0.00 C ATOM 1130 CE LYS A 77 -0.637 7.893 5.856 1.00 0.00 C ATOM 1131 NZ LYS A 77 -0.386 9.360 5.813 1.00 0.00 N ATOM 0 H LYS A 77 1.175 7.801 0.664 1.00 0.00 H new ATOM 0 HA LYS A 77 0.472 5.339 1.749 1.00 0.00 H new ATOM 0 HB2 LYS A 77 0.579 7.755 2.748 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -1.081 7.899 2.204 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -1.454 5.658 3.513 1.00 0.00 H new ATOM 0 HG3 LYS A 77 0.060 6.052 4.302 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.869 8.305 4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -2.415 6.947 5.110 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -1.105 7.632 6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 77 0.313 7.361 5.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 0.224 9.631 6.610 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 0.084 9.606 4.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.290 9.869 5.881 1.00 0.00 H new ATOM 1145 N HIS A 78 -1.794 6.612 -0.252 1.00 0.00 N ATOM 1146 CA HIS A 78 -3.029 6.317 -0.969 1.00 0.00 C ATOM 1147 C HIS A 78 -2.796 5.252 -2.038 1.00 0.00 C ATOM 1148 O HIS A 78 -3.630 4.369 -2.241 1.00 0.00 O ATOM 1149 CB HIS A 78 -3.587 7.588 -1.611 1.00 0.00 C ATOM 1150 CG HIS A 78 -4.989 7.438 -2.113 1.00 0.00 C ATOM 1151 ND1 HIS A 78 -6.088 7.922 -1.435 1.00 0.00 N ATOM 1152 CD2 HIS A 78 -5.471 6.855 -3.238 1.00 0.00 C ATOM 1153 CE1 HIS A 78 -7.184 7.642 -2.118 1.00 0.00 C ATOM 1154 NE2 HIS A 78 -6.837 6.996 -3.217 1.00 0.00 N ATOM 0 H HIS A 78 -1.335 7.476 -0.540 1.00 0.00 H new ATOM 0 HA HIS A 78 -3.754 5.933 -0.251 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -3.555 8.398 -0.882 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -2.942 7.880 -2.440 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -4.889 6.370 -4.008 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -8.192 7.898 -1.827 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.479 6.657 -3.933 1.00 0.00 H new ATOM 1162 N LEU A 79 -1.660 5.343 -2.718 1.00 0.00 N ATOM 1163 CA LEU A 79 -1.317 4.389 -3.767 1.00 0.00 C ATOM 1164 C LEU A 79 -1.150 2.986 -3.193 1.00 0.00 C ATOM 1165 O LEU A 79 -1.332 1.992 -3.896 1.00 0.00 O ATOM 1166 CB LEU A 79 -0.031 4.819 -4.476 1.00 0.00 C ATOM 1167 CG LEU A 79 -0.078 6.171 -5.189 1.00 0.00 C ATOM 1168 CD1 LEU A 79 1.262 6.477 -5.841 1.00 0.00 C ATOM 1169 CD2 LEU A 79 -1.194 6.190 -6.224 1.00 0.00 C ATOM 0 H LEU A 79 -0.960 6.068 -2.562 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.133 4.372 -4.489 1.00 0.00 H new ATOM 0 HB2 LEU A 79 0.774 4.846 -3.741 1.00 0.00 H new ATOM 0 HB3 LEU A 79 0.230 4.054 -5.207 1.00 0.00 H new ATOM 0 HG LEU A 79 -0.284 6.944 -4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.210 7.443 -6.344 1.00 0.00 H new ATOM 0 HD12 LEU A 79 2.040 6.507 -5.078 1.00 0.00 H new ATOM 0 HD13 LEU A 79 1.498 5.701 -6.569 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -1.212 7.160 -6.721 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.019 5.407 -6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.151 6.017 -5.731 1.00 0.00 H new ATOM 1181 N ILE A 80 -0.803 2.914 -1.912 1.00 0.00 N ATOM 1182 CA ILE A 80 -0.615 1.633 -1.243 1.00 0.00 C ATOM 1183 C ILE A 80 -1.952 0.946 -0.986 1.00 0.00 C ATOM 1184 O ILE A 80 -2.093 -0.260 -1.195 1.00 0.00 O ATOM 1185 CB ILE A 80 0.129 1.800 0.095 1.00 0.00 C ATOM 1186 CG1 ILE A 80 1.535 2.354 -0.145 1.00 0.00 C ATOM 1187 CG2 ILE A 80 0.196 0.472 0.833 1.00 0.00 C ATOM 1188 CD1 ILE A 80 2.029 3.250 0.970 1.00 0.00 C ATOM 0 H ILE A 80 -0.646 3.728 -1.317 1.00 0.00 H new ATOM 0 HA ILE A 80 -0.013 1.015 -1.909 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.420 2.510 0.714 1.00 0.00 H new ATOM 0 HG12 ILE A 80 2.229 1.522 -0.266 1.00 0.00 H new ATOM 0 HG13 ILE A 80 1.542 2.914 -1.080 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.725 0.606 1.777 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -0.814 0.114 1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 80 0.726 -0.258 0.221 1.00 0.00 H new ATOM 0 HD11 ILE A 80 3.031 3.607 0.733 1.00 0.00 H new ATOM 0 HD12 ILE A 80 1.357 4.101 1.077 1.00 0.00 H new ATOM 0 HD13 ILE A 80 2.055 2.688 1.904 1.00 0.00 H new ATOM 1200 N LEU A 81 -2.932 1.719 -0.534 1.00 0.00 N ATOM 1201 CA LEU A 81 -4.259 1.186 -0.250 1.00 0.00 C ATOM 1202 C LEU A 81 -4.936 0.700 -1.528 1.00 0.00 C ATOM 1203 O LEU A 81 -5.593 -0.340 -1.536 1.00 0.00 O ATOM 1204 CB LEU A 81 -5.125 2.251 0.425 1.00 0.00 C ATOM 1205 CG LEU A 81 -4.913 2.435 1.929 1.00 0.00 C ATOM 1206 CD1 LEU A 81 -5.049 3.900 2.312 1.00 0.00 C ATOM 1207 CD2 LEU A 81 -5.899 1.583 2.713 1.00 0.00 C ATOM 0 H LEU A 81 -2.833 2.718 -0.356 1.00 0.00 H new ATOM 0 HA LEU A 81 -4.145 0.338 0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -4.941 3.206 -0.067 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -6.172 2.001 0.254 1.00 0.00 H new ATOM 0 HG LEU A 81 -3.903 2.109 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -4.895 4.011 3.385 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -4.303 4.487 1.776 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -6.046 4.254 2.050 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -5.734 1.726 3.781 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -6.917 1.879 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -5.753 0.533 2.461 1.00 0.00 H new ATOM 1219 N GLU A 82 -4.767 1.459 -2.605 1.00 0.00 N ATOM 1220 CA GLU A 82 -5.361 1.105 -3.890 1.00 0.00 C ATOM 1221 C GLU A 82 -5.211 -0.389 -4.164 1.00 0.00 C ATOM 1222 O GLU A 82 -6.081 -1.011 -4.774 1.00 0.00 O ATOM 1223 CB GLU A 82 -4.711 1.909 -5.017 1.00 0.00 C ATOM 1224 CG GLU A 82 -5.351 3.268 -5.244 1.00 0.00 C ATOM 1225 CD GLU A 82 -6.866 3.216 -5.188 1.00 0.00 C ATOM 1226 OE1 GLU A 82 -7.482 2.805 -6.193 1.00 0.00 O ATOM 1227 OE2 GLU A 82 -7.433 3.585 -4.139 1.00 0.00 O ATOM 0 H GLU A 82 -4.224 2.323 -2.614 1.00 0.00 H new ATOM 0 HA GLU A 82 -6.423 1.345 -3.849 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -3.654 2.048 -4.789 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -4.765 1.333 -5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.987 3.967 -4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.040 3.654 -6.215 1.00 0.00 H new ATOM 1234 N LYS A 83 -4.101 -0.960 -3.708 1.00 0.00 N ATOM 1235 CA LYS A 83 -3.835 -2.380 -3.902 1.00 0.00 C ATOM 1236 C LYS A 83 -4.509 -3.213 -2.817 1.00 0.00 C ATOM 1237 O LYS A 83 -4.887 -4.362 -3.047 1.00 0.00 O ATOM 1238 CB LYS A 83 -2.327 -2.643 -3.898 1.00 0.00 C ATOM 1239 CG LYS A 83 -1.664 -2.396 -5.243 1.00 0.00 C ATOM 1240 CD LYS A 83 -1.714 -0.927 -5.627 1.00 0.00 C ATOM 1241 CE LYS A 83 -1.107 -0.690 -7.002 1.00 0.00 C ATOM 1242 NZ LYS A 83 -2.151 -0.420 -8.030 1.00 0.00 N ATOM 0 H LYS A 83 -3.371 -0.460 -3.201 1.00 0.00 H new ATOM 0 HA LYS A 83 -4.246 -2.672 -4.868 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -1.857 -2.006 -3.148 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.147 -3.675 -3.598 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -0.627 -2.728 -5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -2.161 -2.991 -6.009 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.748 -0.583 -5.620 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -1.177 -0.337 -4.884 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -0.418 0.153 -6.954 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -0.524 -1.562 -7.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -1.697 -0.264 -8.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -2.794 -1.235 -8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.691 0.427 -7.762 1.00 0.00 H new ATOM 1256 N VAL A 84 -4.658 -2.626 -1.633 1.00 0.00 N ATOM 1257 CA VAL A 84 -5.289 -3.314 -0.513 1.00 0.00 C ATOM 1258 C VAL A 84 -6.771 -3.558 -0.781 1.00 0.00 C ATOM 1259 O VAL A 84 -7.289 -4.643 -0.521 1.00 0.00 O ATOM 1260 CB VAL A 84 -5.141 -2.512 0.794 1.00 0.00 C ATOM 1261 CG1 VAL A 84 -6.084 -3.049 1.859 1.00 0.00 C ATOM 1262 CG2 VAL A 84 -3.700 -2.545 1.277 1.00 0.00 C ATOM 0 H VAL A 84 -4.350 -1.676 -1.425 1.00 0.00 H new ATOM 0 HA VAL A 84 -4.780 -4.272 -0.403 1.00 0.00 H new ATOM 0 HB VAL A 84 -5.410 -1.474 0.597 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -5.966 -2.470 2.775 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -7.113 -2.967 1.509 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -5.851 -4.095 2.058 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.613 -1.974 2.201 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -3.401 -3.577 1.459 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.052 -2.108 0.518 1.00 0.00 H new ATOM 1272 N SER A 85 -7.447 -2.540 -1.304 1.00 0.00 N ATOM 1273 CA SER A 85 -8.870 -2.642 -1.606 1.00 0.00 C ATOM 1274 C SER A 85 -9.109 -3.570 -2.793 1.00 0.00 C ATOM 1275 O SER A 85 -10.189 -4.141 -2.940 1.00 0.00 O ATOM 1276 CB SER A 85 -9.450 -1.258 -1.902 1.00 0.00 C ATOM 1277 OG SER A 85 -10.100 -0.722 -0.762 1.00 0.00 O ATOM 0 H SER A 85 -7.032 -1.635 -1.527 1.00 0.00 H new ATOM 0 HA SER A 85 -9.372 -3.060 -0.734 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.652 -0.586 -2.219 1.00 0.00 H new ATOM 0 HB3 SER A 85 -10.157 -1.326 -2.729 1.00 0.00 H new ATOM 0 HG SER A 85 -10.460 0.164 -0.977 1.00 0.00 H new ATOM 1283 N GLU A 86 -8.091 -3.716 -3.637 1.00 0.00 N ATOM 1284 CA GLU A 86 -8.192 -4.574 -4.812 1.00 0.00 C ATOM 1285 C GLU A 86 -8.313 -6.040 -4.405 1.00 0.00 C ATOM 1286 O GLU A 86 -9.364 -6.657 -4.576 1.00 0.00 O ATOM 1287 CB GLU A 86 -6.971 -4.383 -5.715 1.00 0.00 C ATOM 1288 CG GLU A 86 -7.137 -3.270 -6.735 1.00 0.00 C ATOM 1289 CD GLU A 86 -6.803 -3.717 -8.145 1.00 0.00 C ATOM 1290 OE1 GLU A 86 -7.702 -4.250 -8.828 1.00 0.00 O ATOM 1291 OE2 GLU A 86 -5.640 -3.534 -8.565 1.00 0.00 O ATOM 0 H GLU A 86 -7.189 -3.252 -3.529 1.00 0.00 H new ATOM 0 HA GLU A 86 -9.090 -4.292 -5.362 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -6.101 -4.169 -5.095 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -6.767 -5.317 -6.239 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -8.164 -2.906 -6.707 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -6.495 -2.433 -6.461 1.00 0.00 H new ATOM 1298 N ASP A 87 -7.230 -6.591 -3.866 1.00 0.00 N ATOM 1299 CA ASP A 87 -7.215 -7.984 -3.436 1.00 0.00 C ATOM 1300 C ASP A 87 -8.360 -8.266 -2.468 1.00 0.00 C ATOM 1301 O ASP A 87 -8.789 -9.409 -2.317 1.00 0.00 O ATOM 1302 CB ASP A 87 -5.877 -8.320 -2.774 1.00 0.00 C ATOM 1303 CG ASP A 87 -5.472 -9.765 -2.989 1.00 0.00 C ATOM 1304 OD1 ASP A 87 -6.349 -10.580 -3.346 1.00 0.00 O ATOM 1305 OD2 ASP A 87 -4.279 -10.080 -2.802 1.00 0.00 O ATOM 0 H ASP A 87 -6.352 -6.094 -3.717 1.00 0.00 H new ATOM 0 HA ASP A 87 -7.345 -8.613 -4.317 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -5.103 -7.665 -3.174 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -5.943 -8.119 -1.705 1.00 0.00 H new ATOM 1310 N GLU A 88 -8.850 -7.215 -1.816 1.00 0.00 N ATOM 1311 CA GLU A 88 -9.944 -7.352 -0.862 1.00 0.00 C ATOM 1312 C GLU A 88 -11.233 -7.761 -1.568 1.00 0.00 C ATOM 1313 O GLU A 88 -11.972 -8.618 -1.084 1.00 0.00 O ATOM 1314 CB GLU A 88 -10.158 -6.040 -0.106 1.00 0.00 C ATOM 1315 CG GLU A 88 -11.491 -5.963 0.618 1.00 0.00 C ATOM 1316 CD GLU A 88 -11.334 -5.757 2.111 1.00 0.00 C ATOM 1317 OE1 GLU A 88 -10.500 -4.918 2.511 1.00 0.00 O ATOM 1318 OE2 GLU A 88 -12.046 -6.435 2.882 1.00 0.00 O ATOM 0 H GLU A 88 -8.507 -6.261 -1.931 1.00 0.00 H new ATOM 0 HA GLU A 88 -9.676 -8.133 -0.151 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -9.353 -5.913 0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -10.088 -5.210 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -12.079 -5.145 0.202 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -12.051 -6.881 0.439 1.00 0.00 H new