USER MOD reduce.3.24.130724 H: found=0, std=0, add=654, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 655 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 12 HIS :FLIP no HD1:sc= -0.0214 F(o=-0.57,f=-0.021) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 13:sc= 0.884 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -1.85 K(o=-1.8,f=-5.2!) USER MOD Single : A 54 CYS SG : rot -160:sc= -1.28 USER MOD Single : A 65 HIS : no HD1:sc= -2.52 K(o=-2.5,f=-4.1!) USER MOD Single : A 67 ASN : amide:sc= -5.15! C(o=-5.1!,f=-14!) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 THR OG1 : rot -28:sc= 0.994 USER MOD Single : A 72 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0.0158 USER MOD Single : A 76 HIS : no HD1:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 78 GLN : amide:sc= -0.0482 K(o=-0.048,f=-0.58) USER MOD Single : A 89 GLN : amide:sc= -0.455 K(o=-0.45,f=-2.8!) USER MOD Single : A 91 HIS : no HD1:sc= -1.2 X(o=-1.2,f=-1.7) USER MOD ----------------------------------------------------------------- ATOM 111 N HIS A 12 -3.503 -11.096 -3.631 1.00 0.00 N ATOM 112 CA HIS A 12 -3.561 -9.697 -3.224 1.00 0.00 C ATOM 113 C HIS A 12 -4.558 -9.503 -2.085 1.00 0.00 C ATOM 114 O HIS A 12 -5.719 -9.898 -2.189 1.00 0.00 O ATOM 115 CB HIS A 12 -3.947 -8.814 -4.411 1.00 0.00 C ATOM 116 CG HIS A 12 -3.333 -9.250 -5.706 1.00 0.00 C ATOM 117 ND1 HIS A 12 -2.077 -9.660 -5.996 1.00 0.00 N flip ATOM 118 CD2 HIS A 12 -4.034 -9.295 -6.893 1.00 0.00 C flip ATOM 119 CE1 HIS A 12 -2.041 -9.944 -7.339 1.00 0.00 C flip ATOM 120 NE2 HIS A 12 -3.235 -9.716 -7.857 1.00 0.00 N flip ATOM 0 HA HIS A 12 -2.572 -9.406 -2.871 1.00 0.00 H new ATOM 0 HB2 HIS A 12 -5.032 -8.813 -4.515 1.00 0.00 H new ATOM 0 HB3 HIS A 12 -3.646 -7.787 -4.203 1.00 0.00 H new ATOM 0 HD2 HIS A 12 -5.073 -9.028 -7.015 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -1.177 -10.296 -7.883 1.00 0.00 H new ATOM 0 HE2 HIS A 12 -3.495 -9.843 -8.835 1.00 0.00 H new ATOM 129 N PHE A 13 -4.097 -8.892 -0.999 1.00 0.00 N ATOM 130 CA PHE A 13 -4.948 -8.647 0.160 1.00 0.00 C ATOM 131 C PHE A 13 -4.948 -7.167 0.531 1.00 0.00 C ATOM 132 O PHE A 13 -4.066 -6.413 0.121 1.00 0.00 O ATOM 133 CB PHE A 13 -4.476 -9.483 1.352 1.00 0.00 C ATOM 134 CG PHE A 13 -3.085 -9.147 1.807 1.00 0.00 C ATOM 135 CD1 PHE A 13 -2.869 -8.134 2.727 1.00 0.00 C ATOM 136 CD2 PHE A 13 -1.993 -9.844 1.315 1.00 0.00 C ATOM 137 CE1 PHE A 13 -1.590 -7.822 3.147 1.00 0.00 C ATOM 138 CE2 PHE A 13 -0.711 -9.536 1.731 1.00 0.00 C ATOM 139 CZ PHE A 13 -0.510 -8.524 2.649 1.00 0.00 C ATOM 0 H PHE A 13 -3.139 -8.557 -0.897 1.00 0.00 H new ATOM 0 HA PHE A 13 -5.966 -8.939 -0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.166 -9.338 2.183 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -4.517 -10.539 1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -3.710 -7.582 3.120 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -2.145 -10.637 0.598 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -1.435 -7.030 3.864 1.00 0.00 H new ATOM 0 HE2 PHE A 13 0.132 -10.086 1.339 1.00 0.00 H new ATOM 0 HZ PHE A 13 0.490 -8.282 2.977 1.00 0.00 H new ATOM 149 N SER A 14 -5.945 -6.759 1.310 1.00 0.00 N ATOM 150 CA SER A 14 -6.064 -5.369 1.734 1.00 0.00 C ATOM 151 C SER A 14 -5.890 -5.245 3.244 1.00 0.00 C ATOM 152 O SER A 14 -6.170 -6.181 3.992 1.00 0.00 O ATOM 153 CB SER A 14 -7.423 -4.802 1.317 1.00 0.00 C ATOM 154 OG SER A 14 -7.799 -5.269 0.033 1.00 0.00 O ATOM 0 H SER A 14 -6.682 -7.371 1.660 1.00 0.00 H new ATOM 0 HA SER A 14 -5.274 -4.797 1.247 1.00 0.00 H new ATOM 0 HB2 SER A 14 -8.180 -5.089 2.047 1.00 0.00 H new ATOM 0 HB3 SER A 14 -7.380 -3.713 1.313 1.00 0.00 H new ATOM 0 HG SER A 14 -8.671 -4.894 -0.209 1.00 0.00 H new ATOM 160 N VAL A 15 -5.425 -4.080 3.686 1.00 0.00 N ATOM 161 CA VAL A 15 -5.213 -3.831 5.107 1.00 0.00 C ATOM 162 C VAL A 15 -6.132 -2.725 5.613 1.00 0.00 C ATOM 163 O VAL A 15 -6.297 -1.695 4.961 1.00 0.00 O ATOM 164 CB VAL A 15 -3.751 -3.442 5.397 1.00 0.00 C ATOM 165 CG1 VAL A 15 -3.501 -3.388 6.896 1.00 0.00 C ATOM 166 CG2 VAL A 15 -2.797 -4.416 4.723 1.00 0.00 C ATOM 0 H VAL A 15 -5.188 -3.294 3.080 1.00 0.00 H new ATOM 0 HA VAL A 15 -5.444 -4.759 5.629 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.569 -2.449 4.987 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.463 -3.112 7.082 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -4.160 -2.647 7.348 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -3.700 -4.366 7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -1.769 -4.126 4.938 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.977 -5.422 5.101 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -2.961 -4.399 3.645 1.00 0.00 H new ATOM 176 N GLU A 16 -6.727 -2.946 6.781 1.00 0.00 N ATOM 177 CA GLU A 16 -7.631 -1.967 7.375 1.00 0.00 C ATOM 178 C GLU A 16 -7.209 -1.634 8.803 1.00 0.00 C ATOM 179 O GLU A 16 -7.157 -2.511 9.668 1.00 0.00 O ATOM 180 CB GLU A 16 -9.067 -2.494 7.365 1.00 0.00 C ATOM 181 CG GLU A 16 -9.737 -2.410 6.004 1.00 0.00 C ATOM 182 CD GLU A 16 -9.359 -3.564 5.096 1.00 0.00 C ATOM 183 OE1 GLU A 16 -9.843 -4.690 5.336 1.00 0.00 O ATOM 184 OE2 GLU A 16 -8.579 -3.342 4.146 1.00 0.00 O ATOM 0 H GLU A 16 -6.600 -3.793 7.334 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.582 -1.056 6.778 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -9.066 -3.532 7.697 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.657 -1.929 8.087 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -10.819 -2.396 6.136 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.462 -1.470 5.525 1.00 0.00 H new ATOM 191 N LEU A 17 -6.908 -0.363 9.044 1.00 0.00 N ATOM 192 CA LEU A 17 -6.490 0.087 10.367 1.00 0.00 C ATOM 193 C LEU A 17 -7.288 1.312 10.803 1.00 0.00 C ATOM 194 O LEU A 17 -7.892 1.998 9.978 1.00 0.00 O ATOM 195 CB LEU A 17 -4.995 0.411 10.369 1.00 0.00 C ATOM 196 CG LEU A 17 -4.080 -0.641 9.741 1.00 0.00 C ATOM 197 CD1 LEU A 17 -2.638 -0.157 9.732 1.00 0.00 C ATOM 198 CD2 LEU A 17 -4.197 -1.963 10.485 1.00 0.00 C ATOM 0 H LEU A 17 -6.946 0.374 8.340 1.00 0.00 H new ATOM 0 HA LEU A 17 -6.681 -0.719 11.075 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.847 1.354 9.842 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -4.679 0.569 11.400 1.00 0.00 H new ATOM 0 HG LEU A 17 -4.395 -0.799 8.710 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -2.001 -0.919 9.282 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -2.567 0.764 9.153 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -2.311 0.031 10.755 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -3.539 -2.699 10.024 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -3.909 -1.821 11.527 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -5.227 -2.317 10.438 1.00 0.00 H new ATOM 210 N VAL A 18 -7.284 1.583 12.104 1.00 0.00 N ATOM 211 CA VAL A 18 -8.004 2.727 12.649 1.00 0.00 C ATOM 212 C VAL A 18 -7.039 3.780 13.183 1.00 0.00 C ATOM 213 O VAL A 18 -6.264 3.517 14.102 1.00 0.00 O ATOM 214 CB VAL A 18 -8.959 2.302 13.780 1.00 0.00 C ATOM 215 CG1 VAL A 18 -9.634 3.519 14.395 1.00 0.00 C ATOM 216 CG2 VAL A 18 -9.994 1.315 13.260 1.00 0.00 C ATOM 0 H VAL A 18 -6.790 1.025 12.800 1.00 0.00 H new ATOM 0 HA VAL A 18 -8.587 3.153 11.832 1.00 0.00 H new ATOM 0 HB VAL A 18 -8.376 1.808 14.557 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -10.305 3.199 15.192 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -8.876 4.187 14.805 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -10.205 4.044 13.629 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.661 1.025 14.072 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -10.574 1.782 12.464 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.490 0.430 12.871 1.00 0.00 H new ATOM 226 N ARG A 19 -7.094 4.974 12.601 1.00 0.00 N ATOM 227 CA ARG A 19 -6.224 6.067 13.017 1.00 0.00 C ATOM 228 C ARG A 19 -6.057 6.082 14.534 1.00 0.00 C ATOM 229 O ARG A 19 -6.944 6.525 15.262 1.00 0.00 O ATOM 230 CB ARG A 19 -6.791 7.407 12.543 1.00 0.00 C ATOM 231 CG ARG A 19 -5.746 8.505 12.431 1.00 0.00 C ATOM 232 CD ARG A 19 -6.160 9.568 11.426 1.00 0.00 C ATOM 233 NE ARG A 19 -5.593 10.875 11.747 1.00 0.00 N ATOM 234 CZ ARG A 19 -6.001 12.010 11.189 1.00 0.00 C ATOM 235 NH1 ARG A 19 -6.974 11.997 10.288 1.00 0.00 N ATOM 236 NH2 ARG A 19 -5.436 13.160 11.533 1.00 0.00 N ATOM 0 H ARG A 19 -7.732 5.209 11.840 1.00 0.00 H new ATOM 0 HA ARG A 19 -5.246 5.912 12.562 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -7.265 7.268 11.571 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -7.570 7.728 13.235 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.594 8.965 13.407 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.792 8.071 12.131 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -5.839 9.269 10.428 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -7.247 9.640 11.402 1.00 0.00 H new ATOM 0 HE ARG A 19 -4.843 10.919 12.437 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -7.411 11.115 10.022 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.285 12.869 9.861 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.688 13.173 12.226 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.750 14.031 11.104 1.00 0.00 H new ATOM 250 N GLY A 20 -4.913 5.593 15.003 1.00 0.00 N ATOM 251 CA GLY A 20 -4.651 5.558 16.430 1.00 0.00 C ATOM 252 C GLY A 20 -4.559 6.944 17.036 1.00 0.00 C ATOM 253 O GLY A 20 -5.578 7.578 17.313 1.00 0.00 O ATOM 0 H GLY A 20 -4.163 5.221 14.420 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.443 4.999 16.928 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.719 5.022 16.612 1.00 0.00 H new ATOM 257 N TYR A 21 -3.335 7.417 17.245 1.00 0.00 N ATOM 258 CA TYR A 21 -3.113 8.735 17.826 1.00 0.00 C ATOM 259 C TYR A 21 -2.571 9.707 16.782 1.00 0.00 C ATOM 260 O TYR A 21 -1.384 10.030 16.776 1.00 0.00 O ATOM 261 CB TYR A 21 -2.142 8.640 19.004 1.00 0.00 C ATOM 262 CG TYR A 21 -1.960 9.945 19.746 1.00 0.00 C ATOM 263 CD1 TYR A 21 -2.957 10.438 20.579 1.00 0.00 C ATOM 264 CD2 TYR A 21 -0.791 10.685 19.614 1.00 0.00 C ATOM 265 CE1 TYR A 21 -2.795 11.629 21.258 1.00 0.00 C ATOM 266 CE2 TYR A 21 -0.620 11.877 20.290 1.00 0.00 C ATOM 267 CZ TYR A 21 -1.625 12.345 21.111 1.00 0.00 C ATOM 268 OH TYR A 21 -1.459 13.533 21.786 1.00 0.00 O ATOM 0 H TYR A 21 -2.481 6.906 17.020 1.00 0.00 H new ATOM 0 HA TYR A 21 -4.071 9.112 18.184 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -2.502 7.883 19.701 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -1.173 8.301 18.638 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -3.874 9.880 20.697 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -0.003 10.322 18.972 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.580 11.998 21.901 1.00 0.00 H new ATOM 0 HE2 TYR A 21 0.295 12.439 20.177 1.00 0.00 H new ATOM 0 HH TYR A 21 -0.580 13.910 21.574 1.00 0.00 H new ATOM 278 N ALA A 22 -3.452 10.170 15.901 1.00 0.00 N ATOM 279 CA ALA A 22 -3.064 11.106 14.854 1.00 0.00 C ATOM 280 C ALA A 22 -2.006 10.499 13.938 1.00 0.00 C ATOM 281 O ALA A 22 -0.996 11.133 13.636 1.00 0.00 O ATOM 282 CB ALA A 22 -2.554 12.402 15.467 1.00 0.00 C ATOM 0 H ALA A 22 -4.439 9.912 15.892 1.00 0.00 H new ATOM 0 HA ALA A 22 -3.946 11.324 14.252 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -2.268 13.092 14.673 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -3.340 12.852 16.073 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -1.688 12.192 16.095 1.00 0.00 H new ATOM 288 N GLY A 23 -2.246 9.267 13.500 1.00 0.00 N ATOM 289 CA GLY A 23 -1.304 8.595 12.624 1.00 0.00 C ATOM 290 C GLY A 23 -1.346 7.087 12.775 1.00 0.00 C ATOM 291 O GLY A 23 -1.810 6.571 13.792 1.00 0.00 O ATOM 0 H GLY A 23 -3.076 8.722 13.736 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.522 8.860 11.589 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.296 8.951 12.838 1.00 0.00 H new ATOM 295 N PHE A 24 -0.862 6.379 11.761 1.00 0.00 N ATOM 296 CA PHE A 24 -0.848 4.921 11.784 1.00 0.00 C ATOM 297 C PHE A 24 0.524 4.396 12.196 1.00 0.00 C ATOM 298 O PHE A 24 0.663 3.244 12.605 1.00 0.00 O ATOM 299 CB PHE A 24 -1.228 4.364 10.410 1.00 0.00 C ATOM 300 CG PHE A 24 -2.663 4.608 10.040 1.00 0.00 C ATOM 301 CD1 PHE A 24 -3.652 3.716 10.424 1.00 0.00 C ATOM 302 CD2 PHE A 24 -3.024 5.728 9.309 1.00 0.00 C ATOM 303 CE1 PHE A 24 -4.974 3.938 10.086 1.00 0.00 C ATOM 304 CE2 PHE A 24 -4.344 5.955 8.968 1.00 0.00 C ATOM 305 CZ PHE A 24 -5.320 5.058 9.356 1.00 0.00 C ATOM 0 H PHE A 24 -0.474 6.791 10.912 1.00 0.00 H new ATOM 0 HA PHE A 24 -1.581 4.588 12.519 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.585 4.814 9.654 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -1.035 3.291 10.396 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -3.387 2.838 10.994 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -2.265 6.432 9.002 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -5.735 3.236 10.393 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -4.612 6.833 8.399 1.00 0.00 H new ATOM 0 HZ PHE A 24 -6.352 5.232 9.089 1.00 0.00 H new ATOM 315 N GLY A 25 1.536 5.251 12.084 1.00 0.00 N ATOM 316 CA GLY A 25 2.885 4.856 12.447 1.00 0.00 C ATOM 317 C GLY A 25 3.539 3.986 11.392 1.00 0.00 C ATOM 318 O GLY A 25 4.414 3.176 11.699 1.00 0.00 O ATOM 0 H GLY A 25 1.446 6.210 11.748 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.491 5.748 12.605 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.860 4.316 13.394 1.00 0.00 H new ATOM 322 N LEU A 26 3.113 4.152 10.144 1.00 0.00 N ATOM 323 CA LEU A 26 3.662 3.374 9.039 1.00 0.00 C ATOM 324 C LEU A 26 4.619 4.217 8.203 1.00 0.00 C ATOM 325 O LEU A 26 4.266 5.302 7.739 1.00 0.00 O ATOM 326 CB LEU A 26 2.533 2.838 8.157 1.00 0.00 C ATOM 327 CG LEU A 26 2.931 1.779 7.128 1.00 0.00 C ATOM 328 CD1 LEU A 26 3.318 0.481 7.820 1.00 0.00 C ATOM 329 CD2 LEU A 26 1.797 1.542 6.141 1.00 0.00 C ATOM 0 H LEU A 26 2.390 4.818 9.873 1.00 0.00 H new ATOM 0 HA LEU A 26 4.217 2.535 9.458 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.763 2.417 8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 26 2.082 3.678 7.629 1.00 0.00 H new ATOM 0 HG LEU A 26 3.797 2.144 6.575 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.598 -0.261 7.072 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.162 0.661 8.486 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.472 0.111 8.399 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.098 0.786 5.416 1.00 0.00 H new ATOM 0 HD22 LEU A 26 0.913 1.199 6.678 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.567 2.472 5.621 1.00 0.00 H new ATOM 341 N THR A 27 5.834 3.711 8.012 1.00 0.00 N ATOM 342 CA THR A 27 6.842 4.416 7.231 1.00 0.00 C ATOM 343 C THR A 27 7.289 3.587 6.033 1.00 0.00 C ATOM 344 O THR A 27 7.760 2.459 6.187 1.00 0.00 O ATOM 345 CB THR A 27 8.074 4.765 8.088 1.00 0.00 C ATOM 346 OG1 THR A 27 7.658 5.327 9.338 1.00 0.00 O ATOM 347 CG2 THR A 27 8.979 5.747 7.360 1.00 0.00 C ATOM 0 H THR A 27 6.143 2.815 8.388 1.00 0.00 H new ATOM 0 HA THR A 27 6.380 5.338 6.879 1.00 0.00 H new ATOM 0 HB THR A 27 8.634 3.848 8.271 1.00 0.00 H new ATOM 0 HG1 THR A 27 8.447 5.544 9.878 1.00 0.00 H new ATOM 0 HG21 THR A 27 9.842 5.978 7.985 1.00 0.00 H new ATOM 0 HG22 THR A 27 9.317 5.304 6.423 1.00 0.00 H new ATOM 0 HG23 THR A 27 8.427 6.663 7.150 1.00 0.00 H new ATOM 355 N LEU A 28 7.139 4.151 4.840 1.00 0.00 N ATOM 356 CA LEU A 28 7.528 3.463 3.614 1.00 0.00 C ATOM 357 C LEU A 28 8.945 3.847 3.200 1.00 0.00 C ATOM 358 O LEU A 28 9.375 4.982 3.402 1.00 0.00 O ATOM 359 CB LEU A 28 6.548 3.794 2.487 1.00 0.00 C ATOM 360 CG LEU A 28 5.341 2.864 2.352 1.00 0.00 C ATOM 361 CD1 LEU A 28 4.155 3.611 1.762 1.00 0.00 C ATOM 362 CD2 LEU A 28 5.692 1.655 1.496 1.00 0.00 C ATOM 0 H LEU A 28 6.751 5.083 4.695 1.00 0.00 H new ATOM 0 HA LEU A 28 7.503 2.390 3.805 1.00 0.00 H new ATOM 0 HB2 LEU A 28 6.183 4.810 2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.094 3.787 1.544 1.00 0.00 H new ATOM 0 HG LEU A 28 5.065 2.512 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.306 2.933 1.673 1.00 0.00 H new ATOM 0 HD12 LEU A 28 3.889 4.443 2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 28 4.419 3.992 0.776 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.822 1.004 1.411 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.995 1.988 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.511 1.106 1.960 1.00 0.00 H new ATOM 374 N GLY A 29 9.665 2.894 2.617 1.00 0.00 N ATOM 375 CA GLY A 29 11.025 3.153 2.182 1.00 0.00 C ATOM 376 C GLY A 29 11.283 2.672 0.767 1.00 0.00 C ATOM 377 O GLY A 29 11.326 1.469 0.511 1.00 0.00 O ATOM 0 H GLY A 29 9.331 1.947 2.438 1.00 0.00 H new ATOM 0 HA2 GLY A 29 11.224 4.223 2.241 1.00 0.00 H new ATOM 0 HA3 GLY A 29 11.721 2.661 2.862 1.00 0.00 H new ATOM 381 N GLY A 30 11.452 3.615 -0.155 1.00 0.00 N ATOM 382 CA GLY A 30 11.703 3.261 -1.540 1.00 0.00 C ATOM 383 C GLY A 30 10.804 4.011 -2.502 1.00 0.00 C ATOM 384 O GLY A 30 10.591 5.214 -2.354 1.00 0.00 O ATOM 0 H GLY A 30 11.420 4.617 0.032 1.00 0.00 H new ATOM 0 HA2 GLY A 30 12.745 3.471 -1.782 1.00 0.00 H new ATOM 0 HA3 GLY A 30 11.555 2.189 -1.670 1.00 0.00 H new ATOM 388 N GLY A 31 10.275 3.300 -3.493 1.00 0.00 N ATOM 389 CA GLY A 31 9.401 3.924 -4.470 1.00 0.00 C ATOM 390 C GLY A 31 10.170 4.668 -5.544 1.00 0.00 C ATOM 391 O GLY A 31 11.348 4.395 -5.775 1.00 0.00 O ATOM 0 H GLY A 31 10.436 2.303 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.778 3.160 -4.936 1.00 0.00 H new ATOM 0 HA3 GLY A 31 8.730 4.617 -3.962 1.00 0.00 H new ATOM 395 N ARG A 32 9.502 5.609 -6.203 1.00 0.00 N ATOM 396 CA ARG A 32 10.130 6.392 -7.260 1.00 0.00 C ATOM 397 C ARG A 32 11.241 7.273 -6.698 1.00 0.00 C ATOM 398 O ARG A 32 10.982 8.213 -5.946 1.00 0.00 O ATOM 399 CB ARG A 32 9.087 7.259 -7.969 1.00 0.00 C ATOM 400 CG ARG A 32 9.638 8.020 -9.164 1.00 0.00 C ATOM 401 CD ARG A 32 9.592 7.179 -10.430 1.00 0.00 C ATOM 402 NE ARG A 32 9.674 7.999 -11.635 1.00 0.00 N ATOM 403 CZ ARG A 32 10.771 8.648 -12.009 1.00 0.00 C ATOM 404 NH1 ARG A 32 11.873 8.572 -11.276 1.00 0.00 N ATOM 405 NH2 ARG A 32 10.768 9.374 -13.120 1.00 0.00 N ATOM 0 H ARG A 32 8.527 5.847 -6.024 1.00 0.00 H new ATOM 0 HA ARG A 32 10.568 5.700 -7.979 1.00 0.00 H new ATOM 0 HB2 ARG A 32 8.265 6.625 -8.301 1.00 0.00 H new ATOM 0 HB3 ARG A 32 8.673 7.971 -7.255 1.00 0.00 H new ATOM 0 HG2 ARG A 32 9.062 8.934 -9.312 1.00 0.00 H new ATOM 0 HG3 ARG A 32 10.666 8.320 -8.963 1.00 0.00 H new ATOM 0 HD2 ARG A 32 10.415 6.465 -10.421 1.00 0.00 H new ATOM 0 HD3 ARG A 32 8.668 6.600 -10.447 1.00 0.00 H new ATOM 0 HE ARG A 32 8.843 8.078 -12.222 1.00 0.00 H new ATOM 0 HH11 ARG A 32 11.880 8.014 -10.422 1.00 0.00 H new ATOM 0 HH12 ARG A 32 12.714 9.071 -11.566 1.00 0.00 H new ATOM 0 HH21 ARG A 32 9.923 9.434 -13.688 1.00 0.00 H new ATOM 0 HH22 ARG A 32 11.611 9.872 -13.406 1.00 0.00 H new ATOM 419 N ASP A 33 12.479 6.962 -7.067 1.00 0.00 N ATOM 420 CA ASP A 33 13.631 7.725 -6.600 1.00 0.00 C ATOM 421 C ASP A 33 14.443 8.258 -7.776 1.00 0.00 C ATOM 422 O ASP A 33 14.526 7.620 -8.826 1.00 0.00 O ATOM 423 CB ASP A 33 14.516 6.856 -5.704 1.00 0.00 C ATOM 424 CG ASP A 33 14.060 6.861 -4.259 1.00 0.00 C ATOM 425 OD1 ASP A 33 12.869 6.576 -4.011 1.00 0.00 O ATOM 426 OD2 ASP A 33 14.893 7.150 -3.375 1.00 0.00 O ATOM 0 H ASP A 33 12.711 6.187 -7.688 1.00 0.00 H new ATOM 0 HA ASP A 33 13.264 8.573 -6.022 1.00 0.00 H new ATOM 0 HB2 ASP A 33 14.514 5.833 -6.079 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.544 7.213 -5.758 1.00 0.00 H new ATOM 431 N VAL A 34 15.039 9.432 -7.593 1.00 0.00 N ATOM 432 CA VAL A 34 15.844 10.051 -8.639 1.00 0.00 C ATOM 433 C VAL A 34 16.941 9.107 -9.120 1.00 0.00 C ATOM 434 O VAL A 34 17.419 9.218 -10.248 1.00 0.00 O ATOM 435 CB VAL A 34 16.488 11.362 -8.150 1.00 0.00 C ATOM 436 CG1 VAL A 34 17.299 12.007 -9.263 1.00 0.00 C ATOM 437 CG2 VAL A 34 15.424 12.317 -7.632 1.00 0.00 C ATOM 0 H VAL A 34 14.979 9.973 -6.730 1.00 0.00 H new ATOM 0 HA VAL A 34 15.171 10.272 -9.467 1.00 0.00 H new ATOM 0 HB VAL A 34 17.165 11.129 -7.329 1.00 0.00 H new ATOM 0 HG11 VAL A 34 17.746 12.932 -8.898 1.00 0.00 H new ATOM 0 HG12 VAL A 34 18.087 11.324 -9.582 1.00 0.00 H new ATOM 0 HG13 VAL A 34 16.646 12.228 -10.108 1.00 0.00 H new ATOM 0 HG21 VAL A 34 15.897 13.238 -7.291 1.00 0.00 H new ATOM 0 HG22 VAL A 34 14.720 12.546 -8.432 1.00 0.00 H new ATOM 0 HG23 VAL A 34 14.892 11.853 -6.802 1.00 0.00 H new ATOM 447 N ALA A 35 17.335 8.178 -8.255 1.00 0.00 N ATOM 448 CA ALA A 35 18.374 7.212 -8.592 1.00 0.00 C ATOM 449 C ALA A 35 17.767 5.907 -9.094 1.00 0.00 C ATOM 450 O ALA A 35 18.408 4.857 -9.053 1.00 0.00 O ATOM 451 CB ALA A 35 19.264 6.953 -7.386 1.00 0.00 C ATOM 0 H ALA A 35 16.951 8.074 -7.316 1.00 0.00 H new ATOM 0 HA ALA A 35 18.981 7.632 -9.394 1.00 0.00 H new ATOM 0 HB1 ALA A 35 20.035 6.230 -7.652 1.00 0.00 H new ATOM 0 HB2 ALA A 35 19.733 7.886 -7.073 1.00 0.00 H new ATOM 0 HB3 ALA A 35 18.662 6.557 -6.568 1.00 0.00 H new ATOM 457 N GLY A 36 16.527 5.979 -9.568 1.00 0.00 N ATOM 458 CA GLY A 36 15.855 4.795 -10.071 1.00 0.00 C ATOM 459 C GLY A 36 14.503 4.576 -9.422 1.00 0.00 C ATOM 460 O GLY A 36 14.204 5.163 -8.381 1.00 0.00 O ATOM 0 H GLY A 36 15.976 6.836 -9.613 1.00 0.00 H new ATOM 0 HA2 GLY A 36 15.727 4.885 -11.150 1.00 0.00 H new ATOM 0 HA3 GLY A 36 16.484 3.922 -9.896 1.00 0.00 H new ATOM 464 N ASP A 37 13.683 3.731 -10.037 1.00 0.00 N ATOM 465 CA ASP A 37 12.354 3.437 -9.512 1.00 0.00 C ATOM 466 C ASP A 37 12.360 2.135 -8.717 1.00 0.00 C ATOM 467 O ASP A 37 12.381 1.045 -9.289 1.00 0.00 O ATOM 468 CB ASP A 37 11.340 3.347 -10.654 1.00 0.00 C ATOM 469 CG ASP A 37 11.903 2.645 -11.874 1.00 0.00 C ATOM 470 OD1 ASP A 37 12.377 1.498 -11.732 1.00 0.00 O ATOM 471 OD2 ASP A 37 11.871 3.242 -12.970 1.00 0.00 O ATOM 0 H ASP A 37 13.915 3.238 -10.899 1.00 0.00 H new ATOM 0 HA ASP A 37 12.066 4.249 -8.844 1.00 0.00 H new ATOM 0 HB2 ASP A 37 10.454 2.814 -10.308 1.00 0.00 H new ATOM 0 HB3 ASP A 37 11.020 4.351 -10.932 1.00 0.00 H new ATOM 476 N THR A 38 12.342 2.256 -7.393 1.00 0.00 N ATOM 477 CA THR A 38 12.348 1.090 -6.519 1.00 0.00 C ATOM 478 C THR A 38 10.934 0.724 -6.082 1.00 0.00 C ATOM 479 O THR A 38 10.067 1.582 -5.916 1.00 0.00 O ATOM 480 CB THR A 38 13.214 1.330 -5.268 1.00 0.00 C ATOM 481 OG1 THR A 38 12.892 2.597 -4.685 1.00 0.00 O ATOM 482 CG2 THR A 38 14.694 1.287 -5.618 1.00 0.00 C ATOM 0 H THR A 38 12.323 3.150 -6.903 1.00 0.00 H new ATOM 0 HA THR A 38 12.773 0.267 -7.093 1.00 0.00 H new ATOM 0 HB THR A 38 13.004 0.537 -4.550 1.00 0.00 H new ATOM 0 HG1 THR A 38 12.060 2.936 -5.078 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.286 1.459 -4.719 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.941 0.310 -6.034 1.00 0.00 H new ATOM 0 HG23 THR A 38 14.917 2.061 -6.353 1.00 0.00 H new ATOM 490 N PRO A 39 10.693 -0.582 -5.888 1.00 0.00 N ATOM 491 CA PRO A 39 9.385 -1.091 -5.466 1.00 0.00 C ATOM 492 C PRO A 39 9.054 -0.716 -4.025 1.00 0.00 C ATOM 493 O PRO A 39 9.729 -1.150 -3.090 1.00 0.00 O ATOM 494 CB PRO A 39 9.534 -2.608 -5.603 1.00 0.00 C ATOM 495 CG PRO A 39 10.996 -2.859 -5.468 1.00 0.00 C ATOM 496 CD PRO A 39 11.679 -1.661 -6.067 1.00 0.00 C ATOM 0 HA PRO A 39 8.573 -0.673 -6.062 1.00 0.00 H new ATOM 0 HB2 PRO A 39 8.970 -3.132 -4.832 1.00 0.00 H new ATOM 0 HB3 PRO A 39 9.160 -2.957 -6.565 1.00 0.00 H new ATOM 0 HG2 PRO A 39 11.275 -2.985 -4.422 1.00 0.00 H new ATOM 0 HG3 PRO A 39 11.285 -3.773 -5.987 1.00 0.00 H new ATOM 0 HD2 PRO A 39 12.617 -1.437 -5.559 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.916 -1.818 -7.119 1.00 0.00 H new ATOM 504 N LEU A 40 8.013 0.090 -3.853 1.00 0.00 N ATOM 505 CA LEU A 40 7.592 0.523 -2.525 1.00 0.00 C ATOM 506 C LEU A 40 7.392 -0.673 -1.600 1.00 0.00 C ATOM 507 O LEU A 40 6.772 -1.666 -1.980 1.00 0.00 O ATOM 508 CB LEU A 40 6.298 1.334 -2.617 1.00 0.00 C ATOM 509 CG LEU A 40 6.460 2.827 -2.904 1.00 0.00 C ATOM 510 CD1 LEU A 40 5.226 3.373 -3.604 1.00 0.00 C ATOM 511 CD2 LEU A 40 6.728 3.591 -1.615 1.00 0.00 C ATOM 0 H LEU A 40 7.445 0.457 -4.616 1.00 0.00 H new ATOM 0 HA LEU A 40 8.379 1.153 -2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.676 0.900 -3.399 1.00 0.00 H new ATOM 0 HB3 LEU A 40 5.755 1.222 -1.679 1.00 0.00 H new ATOM 0 HG LEU A 40 7.316 2.960 -3.566 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.360 4.437 -3.800 1.00 0.00 H new ATOM 0 HD12 LEU A 40 5.079 2.846 -4.547 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.353 3.228 -2.968 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.841 4.652 -1.838 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.893 3.451 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 40 7.643 3.218 -1.154 1.00 0.00 H new ATOM 523 N ALA A 41 7.919 -0.570 -0.385 1.00 0.00 N ATOM 524 CA ALA A 41 7.794 -1.642 0.596 1.00 0.00 C ATOM 525 C ALA A 41 7.946 -1.107 2.016 1.00 0.00 C ATOM 526 O ALA A 41 8.803 -0.266 2.285 1.00 0.00 O ATOM 527 CB ALA A 41 8.825 -2.727 0.325 1.00 0.00 C ATOM 0 H ALA A 41 8.437 0.245 -0.056 1.00 0.00 H new ATOM 0 HA ALA A 41 6.797 -2.072 0.503 1.00 0.00 H new ATOM 0 HB1 ALA A 41 8.721 -3.521 1.064 1.00 0.00 H new ATOM 0 HB2 ALA A 41 8.668 -3.137 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 41 9.826 -2.301 0.389 1.00 0.00 H new ATOM 533 N VAL A 42 7.107 -1.601 2.922 1.00 0.00 N ATOM 534 CA VAL A 42 7.148 -1.173 4.315 1.00 0.00 C ATOM 535 C VAL A 42 8.585 -1.046 4.808 1.00 0.00 C ATOM 536 O VAL A 42 9.397 -1.953 4.626 1.00 0.00 O ATOM 537 CB VAL A 42 6.389 -2.155 5.226 1.00 0.00 C ATOM 538 CG1 VAL A 42 6.583 -1.785 6.689 1.00 0.00 C ATOM 539 CG2 VAL A 42 4.911 -2.181 4.866 1.00 0.00 C ATOM 0 H VAL A 42 6.391 -2.298 2.716 1.00 0.00 H new ATOM 0 HA VAL A 42 6.663 -0.198 4.361 1.00 0.00 H new ATOM 0 HB VAL A 42 6.795 -3.155 5.072 1.00 0.00 H new ATOM 0 HG11 VAL A 42 6.039 -2.490 7.318 1.00 0.00 H new ATOM 0 HG12 VAL A 42 7.644 -1.822 6.936 1.00 0.00 H new ATOM 0 HG13 VAL A 42 6.205 -0.778 6.863 1.00 0.00 H new ATOM 0 HG21 VAL A 42 4.390 -2.880 5.520 1.00 0.00 H new ATOM 0 HG22 VAL A 42 4.489 -1.184 4.991 1.00 0.00 H new ATOM 0 HG23 VAL A 42 4.794 -2.498 3.829 1.00 0.00 H new ATOM 549 N ARG A 43 8.892 0.085 5.435 1.00 0.00 N ATOM 550 CA ARG A 43 10.232 0.331 5.955 1.00 0.00 C ATOM 551 C ARG A 43 10.281 0.099 7.463 1.00 0.00 C ATOM 552 O ARG A 43 10.878 -0.868 7.933 1.00 0.00 O ATOM 553 CB ARG A 43 10.672 1.760 5.634 1.00 0.00 C ATOM 554 CG ARG A 43 12.164 1.993 5.812 1.00 0.00 C ATOM 555 CD ARG A 43 12.496 2.410 7.236 1.00 0.00 C ATOM 556 NE ARG A 43 13.841 1.995 7.628 1.00 0.00 N ATOM 557 CZ ARG A 43 14.461 2.444 8.713 1.00 0.00 C ATOM 558 NH1 ARG A 43 13.861 3.317 9.510 1.00 0.00 N ATOM 559 NH2 ARG A 43 15.685 2.020 9.003 1.00 0.00 N ATOM 0 H ARG A 43 8.231 0.845 5.595 1.00 0.00 H new ATOM 0 HA ARG A 43 10.915 -0.369 5.474 1.00 0.00 H new ATOM 0 HB2 ARG A 43 10.397 1.993 4.606 1.00 0.00 H new ATOM 0 HB3 ARG A 43 10.126 2.452 6.275 1.00 0.00 H new ATOM 0 HG2 ARG A 43 12.708 1.082 5.562 1.00 0.00 H new ATOM 0 HG3 ARG A 43 12.498 2.764 5.118 1.00 0.00 H new ATOM 0 HD2 ARG A 43 12.410 3.493 7.326 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.768 1.974 7.920 1.00 0.00 H new ATOM 0 HE ARG A 43 14.330 1.324 7.036 1.00 0.00 H new ATOM 0 HH11 ARG A 43 12.921 3.646 9.290 1.00 0.00 H new ATOM 0 HH12 ARG A 43 14.340 3.660 10.343 1.00 0.00 H new ATOM 0 HH21 ARG A 43 16.150 1.349 8.392 1.00 0.00 H new ATOM 0 HH22 ARG A 43 16.160 2.366 9.837 1.00 0.00 H new ATOM 573 N GLY A 44 9.649 0.995 8.215 1.00 0.00 N ATOM 574 CA GLY A 44 9.633 0.871 9.661 1.00 0.00 C ATOM 575 C GLY A 44 8.231 0.714 10.214 1.00 0.00 C ATOM 576 O GLY A 44 7.262 1.183 9.614 1.00 0.00 O ATOM 0 H GLY A 44 9.148 1.804 7.849 1.00 0.00 H new ATOM 0 HA2 GLY A 44 10.235 0.011 9.955 1.00 0.00 H new ATOM 0 HA3 GLY A 44 10.098 1.752 10.103 1.00 0.00 H new ATOM 580 N LEU A 45 8.119 0.052 11.360 1.00 0.00 N ATOM 581 CA LEU A 45 6.824 -0.167 11.995 1.00 0.00 C ATOM 582 C LEU A 45 6.788 0.452 13.388 1.00 0.00 C ATOM 583 O LEU A 45 7.408 -0.059 14.322 1.00 0.00 O ATOM 584 CB LEU A 45 6.524 -1.665 12.082 1.00 0.00 C ATOM 585 CG LEU A 45 5.828 -2.281 10.868 1.00 0.00 C ATOM 586 CD1 LEU A 45 5.755 -3.794 11.006 1.00 0.00 C ATOM 587 CD2 LEU A 45 4.435 -1.692 10.695 1.00 0.00 C ATOM 0 H LEU A 45 8.910 -0.343 11.869 1.00 0.00 H new ATOM 0 HA LEU A 45 6.061 0.316 11.384 1.00 0.00 H new ATOM 0 HB2 LEU A 45 7.463 -2.194 12.245 1.00 0.00 H new ATOM 0 HB3 LEU A 45 5.902 -1.840 12.960 1.00 0.00 H new ATOM 0 HG LEU A 45 6.413 -2.045 9.979 1.00 0.00 H new ATOM 0 HD11 LEU A 45 5.257 -4.215 10.133 1.00 0.00 H new ATOM 0 HD12 LEU A 45 6.763 -4.202 11.080 1.00 0.00 H new ATOM 0 HD13 LEU A 45 5.193 -4.051 11.904 1.00 0.00 H new ATOM 0 HD21 LEU A 45 3.955 -2.142 9.826 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.840 -1.897 11.585 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.511 -0.614 10.550 1.00 0.00 H new ATOM 599 N LEU A 46 6.057 1.553 13.522 1.00 0.00 N ATOM 600 CA LEU A 46 5.938 2.241 14.803 1.00 0.00 C ATOM 601 C LEU A 46 5.608 1.258 15.921 1.00 0.00 C ATOM 602 O LEU A 46 4.771 0.370 15.755 1.00 0.00 O ATOM 603 CB LEU A 46 4.859 3.323 14.724 1.00 0.00 C ATOM 604 CG LEU A 46 4.921 4.412 15.796 1.00 0.00 C ATOM 605 CD1 LEU A 46 5.886 5.512 15.383 1.00 0.00 C ATOM 606 CD2 LEU A 46 3.535 4.984 16.055 1.00 0.00 C ATOM 0 H LEU A 46 5.538 1.988 12.760 1.00 0.00 H new ATOM 0 HA LEU A 46 6.897 2.708 15.027 1.00 0.00 H new ATOM 0 HB2 LEU A 46 4.922 3.800 13.746 1.00 0.00 H new ATOM 0 HB3 LEU A 46 3.883 2.840 14.781 1.00 0.00 H new ATOM 0 HG LEU A 46 5.286 3.966 16.721 1.00 0.00 H new ATOM 0 HD11 LEU A 46 5.917 6.278 16.158 1.00 0.00 H new ATOM 0 HD12 LEU A 46 6.882 5.091 15.249 1.00 0.00 H new ATOM 0 HD13 LEU A 46 5.551 5.957 14.446 1.00 0.00 H new ATOM 0 HD21 LEU A 46 3.598 5.757 16.820 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.142 5.415 15.135 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.871 4.189 16.396 1.00 0.00 H new ATOM 618 N LYS A 47 6.270 1.423 17.061 1.00 0.00 N ATOM 619 CA LYS A 47 6.046 0.553 18.209 1.00 0.00 C ATOM 620 C LYS A 47 4.727 0.890 18.898 1.00 0.00 C ATOM 621 O LYS A 47 4.438 2.055 19.172 1.00 0.00 O ATOM 622 CB LYS A 47 7.200 0.681 19.206 1.00 0.00 C ATOM 623 CG LYS A 47 6.821 0.304 20.627 1.00 0.00 C ATOM 624 CD LYS A 47 6.473 -1.170 20.740 1.00 0.00 C ATOM 625 CE LYS A 47 7.479 -2.039 20.000 1.00 0.00 C ATOM 626 NZ LYS A 47 7.544 -3.415 20.564 1.00 0.00 N ATOM 0 H LYS A 47 6.967 2.152 17.214 1.00 0.00 H new ATOM 0 HA LYS A 47 5.997 -0.475 17.849 1.00 0.00 H new ATOM 0 HB2 LYS A 47 8.024 0.047 18.878 1.00 0.00 H new ATOM 0 HB3 LYS A 47 7.565 1.708 19.197 1.00 0.00 H new ATOM 0 HG2 LYS A 47 7.648 0.536 21.298 1.00 0.00 H new ATOM 0 HG3 LYS A 47 5.971 0.905 20.949 1.00 0.00 H new ATOM 0 HD2 LYS A 47 6.445 -1.459 21.791 1.00 0.00 H new ATOM 0 HD3 LYS A 47 5.475 -1.341 20.335 1.00 0.00 H new ATOM 0 HE2 LYS A 47 7.208 -2.091 18.946 1.00 0.00 H new ATOM 0 HE3 LYS A 47 8.465 -1.578 20.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 8.240 -3.975 20.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 7.828 -3.367 21.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 6.609 -3.865 20.491 1.00 0.00 H new ATOM 640 N ASP A 48 3.931 -0.137 19.176 1.00 0.00 N ATOM 641 CA ASP A 48 2.643 0.051 19.835 1.00 0.00 C ATOM 642 C ASP A 48 1.667 0.786 18.922 1.00 0.00 C ATOM 643 O ASP A 48 0.924 1.660 19.367 1.00 0.00 O ATOM 644 CB ASP A 48 2.823 0.826 21.141 1.00 0.00 C ATOM 645 CG ASP A 48 1.661 0.632 22.094 1.00 0.00 C ATOM 646 OD1 ASP A 48 0.575 1.187 21.827 1.00 0.00 O ATOM 647 OD2 ASP A 48 1.837 -0.076 23.109 1.00 0.00 O ATOM 0 H ASP A 48 4.155 -1.107 18.956 1.00 0.00 H new ATOM 0 HA ASP A 48 2.230 -0.933 20.060 1.00 0.00 H new ATOM 0 HB2 ASP A 48 3.745 0.505 21.626 1.00 0.00 H new ATOM 0 HB3 ASP A 48 2.933 1.887 20.918 1.00 0.00 H new ATOM 652 N GLY A 49 1.676 0.426 17.642 1.00 0.00 N ATOM 653 CA GLY A 49 0.789 1.063 16.687 1.00 0.00 C ATOM 654 C GLY A 49 -0.286 0.123 16.178 1.00 0.00 C ATOM 655 O GLY A 49 -0.272 -1.077 16.452 1.00 0.00 O ATOM 0 H GLY A 49 2.282 -0.295 17.250 1.00 0.00 H new ATOM 0 HA2 GLY A 49 0.319 1.929 17.154 1.00 0.00 H new ATOM 0 HA3 GLY A 49 1.373 1.433 15.844 1.00 0.00 H new ATOM 659 N PRO A 50 -1.247 0.671 15.419 1.00 0.00 N ATOM 660 CA PRO A 50 -2.353 -0.109 14.856 1.00 0.00 C ATOM 661 C PRO A 50 -1.891 -1.060 13.757 1.00 0.00 C ATOM 662 O PRO A 50 -2.438 -2.151 13.597 1.00 0.00 O ATOM 663 CB PRO A 50 -3.285 0.960 14.281 1.00 0.00 C ATOM 664 CG PRO A 50 -2.397 2.122 13.996 1.00 0.00 C ATOM 665 CD PRO A 50 -1.327 2.095 15.052 1.00 0.00 C ATOM 0 HA PRO A 50 -2.824 -0.747 15.604 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -3.780 0.608 13.376 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -4.069 1.225 14.990 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -1.963 2.046 12.999 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -2.955 3.057 14.030 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -0.376 2.466 14.670 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -1.591 2.716 15.908 1.00 0.00 H new ATOM 673 N ALA A 51 -0.881 -0.639 13.003 1.00 0.00 N ATOM 674 CA ALA A 51 -0.345 -1.455 11.920 1.00 0.00 C ATOM 675 C ALA A 51 0.547 -2.567 12.462 1.00 0.00 C ATOM 676 O ALA A 51 0.281 -3.749 12.243 1.00 0.00 O ATOM 677 CB ALA A 51 0.428 -0.587 10.939 1.00 0.00 C ATOM 0 H ALA A 51 -0.418 0.262 13.122 1.00 0.00 H new ATOM 0 HA ALA A 51 -1.182 -1.918 11.397 1.00 0.00 H new ATOM 0 HB1 ALA A 51 0.823 -1.209 10.136 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -0.236 0.169 10.520 1.00 0.00 H new ATOM 0 HB3 ALA A 51 1.253 -0.098 11.458 1.00 0.00 H new ATOM 683 N GLN A 52 1.605 -2.181 13.167 1.00 0.00 N ATOM 684 CA GLN A 52 2.537 -3.147 13.737 1.00 0.00 C ATOM 685 C GLN A 52 1.791 -4.238 14.499 1.00 0.00 C ATOM 686 O GLN A 52 2.193 -5.401 14.490 1.00 0.00 O ATOM 687 CB GLN A 52 3.527 -2.444 14.668 1.00 0.00 C ATOM 688 CG GLN A 52 4.296 -3.397 15.569 1.00 0.00 C ATOM 689 CD GLN A 52 5.285 -2.680 16.466 1.00 0.00 C ATOM 690 OE1 GLN A 52 5.169 -2.716 17.692 1.00 0.00 O ATOM 691 NE2 GLN A 52 6.268 -2.024 15.860 1.00 0.00 N ATOM 0 H GLN A 52 1.838 -1.206 13.357 1.00 0.00 H new ATOM 0 HA GLN A 52 3.086 -3.611 12.918 1.00 0.00 H new ATOM 0 HB2 GLN A 52 4.236 -1.874 14.067 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.986 -1.729 15.287 1.00 0.00 H new ATOM 0 HG2 GLN A 52 3.592 -3.957 16.185 1.00 0.00 H new ATOM 0 HG3 GLN A 52 4.828 -4.123 14.954 1.00 0.00 H new ATOM 0 HE21 GLN A 52 6.327 -2.020 14.842 1.00 0.00 H new ATOM 0 HE22 GLN A 52 6.964 -1.524 16.413 1.00 0.00 H new ATOM 700 N ARG A 53 0.702 -3.854 15.158 1.00 0.00 N ATOM 701 CA ARG A 53 -0.099 -4.799 15.927 1.00 0.00 C ATOM 702 C ARG A 53 -0.959 -5.658 15.005 1.00 0.00 C ATOM 703 O ARG A 53 -1.255 -6.813 15.314 1.00 0.00 O ATOM 704 CB ARG A 53 -0.988 -4.054 16.924 1.00 0.00 C ATOM 705 CG ARG A 53 -0.256 -3.612 18.180 1.00 0.00 C ATOM 706 CD ARG A 53 -1.166 -2.818 19.105 1.00 0.00 C ATOM 707 NE ARG A 53 -2.143 -3.671 19.776 1.00 0.00 N ATOM 708 CZ ARG A 53 -1.844 -4.472 20.792 1.00 0.00 C ATOM 709 NH1 ARG A 53 -0.602 -4.530 21.252 1.00 0.00 N ATOM 710 NH2 ARG A 53 -2.788 -5.218 21.351 1.00 0.00 N ATOM 0 H ARG A 53 0.354 -2.895 15.175 1.00 0.00 H new ATOM 0 HA ARG A 53 0.581 -5.452 16.475 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -1.414 -3.178 16.434 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -1.821 -4.698 17.207 1.00 0.00 H new ATOM 0 HG2 ARG A 53 0.126 -4.487 18.707 1.00 0.00 H new ATOM 0 HG3 ARG A 53 0.606 -3.004 17.905 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -0.563 -2.301 19.851 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -1.687 -2.052 18.531 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.108 -3.650 19.446 1.00 0.00 H new ATOM 0 HH11 ARG A 53 0.127 -3.958 20.825 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -0.376 -5.146 22.033 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.745 -5.177 21.000 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -2.557 -5.833 22.131 1.00 0.00 H new ATOM 724 N CYS A 54 -1.356 -5.087 13.873 1.00 0.00 N ATOM 725 CA CYS A 54 -2.184 -5.800 12.906 1.00 0.00 C ATOM 726 C CYS A 54 -1.418 -6.966 12.290 1.00 0.00 C ATOM 727 O CYS A 54 -1.983 -8.028 12.035 1.00 0.00 O ATOM 728 CB CYS A 54 -2.656 -4.847 11.807 1.00 0.00 C ATOM 729 SG CYS A 54 -4.247 -5.297 11.074 1.00 0.00 S ATOM 0 H CYS A 54 -1.118 -4.133 13.602 1.00 0.00 H new ATOM 0 HA CYS A 54 -3.053 -6.196 13.431 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.730 -3.841 12.220 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.902 -4.814 11.021 1.00 0.00 H new ATOM 0 HG CYS A 54 -4.369 -4.722 9.914 1.00 0.00 H new ATOM 735 N GLY A 55 -0.126 -6.759 12.052 1.00 0.00 N ATOM 736 CA GLY A 55 0.697 -7.801 11.466 1.00 0.00 C ATOM 737 C GLY A 55 0.669 -7.778 9.950 1.00 0.00 C ATOM 738 O GLY A 55 1.713 -7.852 9.302 1.00 0.00 O ATOM 0 H GLY A 55 0.365 -5.888 12.255 1.00 0.00 H new ATOM 0 HA2 GLY A 55 1.725 -7.684 11.809 1.00 0.00 H new ATOM 0 HA3 GLY A 55 0.352 -8.773 11.818 1.00 0.00 H new ATOM 742 N ARG A 56 -0.529 -7.676 9.383 1.00 0.00 N ATOM 743 CA ARG A 56 -0.688 -7.646 7.934 1.00 0.00 C ATOM 744 C ARG A 56 0.480 -6.919 7.274 1.00 0.00 C ATOM 745 O ARG A 56 0.980 -7.344 6.231 1.00 0.00 O ATOM 746 CB ARG A 56 -2.005 -6.965 7.558 1.00 0.00 C ATOM 747 CG ARG A 56 -3.220 -7.867 7.701 1.00 0.00 C ATOM 748 CD ARG A 56 -3.496 -8.204 9.158 1.00 0.00 C ATOM 749 NE ARG A 56 -2.765 -9.391 9.594 1.00 0.00 N ATOM 750 CZ ARG A 56 -3.016 -10.033 10.729 1.00 0.00 C ATOM 751 NH1 ARG A 56 -3.975 -9.604 11.539 1.00 0.00 N ATOM 752 NH2 ARG A 56 -2.308 -11.106 11.057 1.00 0.00 N ATOM 0 H ARG A 56 -1.403 -7.613 9.905 1.00 0.00 H new ATOM 0 HA ARG A 56 -0.703 -8.675 7.574 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.141 -6.084 8.186 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -1.942 -6.615 6.528 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.092 -7.376 7.269 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.060 -8.786 7.138 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.218 -7.357 9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -4.565 -8.366 9.296 1.00 0.00 H new ATOM 0 HE ARG A 56 -2.021 -9.746 8.994 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -4.521 -8.779 11.291 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -4.166 -10.099 12.410 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -1.570 -11.439 10.437 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -2.502 -11.598 11.929 1.00 0.00 H new ATOM 766 N LEU A 57 0.910 -5.822 7.887 1.00 0.00 N ATOM 767 CA LEU A 57 2.018 -5.035 7.359 1.00 0.00 C ATOM 768 C LEU A 57 3.320 -5.379 8.075 1.00 0.00 C ATOM 769 O LEU A 57 3.421 -5.249 9.295 1.00 0.00 O ATOM 770 CB LEU A 57 1.723 -3.541 7.503 1.00 0.00 C ATOM 771 CG LEU A 57 0.517 -3.017 6.723 1.00 0.00 C ATOM 772 CD1 LEU A 57 0.148 -1.617 7.188 1.00 0.00 C ATOM 773 CD2 LEU A 57 0.802 -3.027 5.228 1.00 0.00 C ATOM 0 H LEU A 57 0.508 -5.457 8.751 1.00 0.00 H new ATOM 0 HA LEU A 57 2.131 -5.276 6.302 1.00 0.00 H new ATOM 0 HB2 LEU A 57 1.570 -3.321 8.560 1.00 0.00 H new ATOM 0 HB3 LEU A 57 2.605 -2.985 7.186 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.329 -3.676 6.915 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.712 -1.260 6.622 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.100 -1.640 8.249 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.992 -0.946 7.027 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.068 -2.651 4.689 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.662 -2.392 5.017 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.016 -4.046 4.905 1.00 0.00 H new ATOM 785 N GLU A 58 4.314 -5.816 7.308 1.00 0.00 N ATOM 786 CA GLU A 58 5.610 -6.177 7.871 1.00 0.00 C ATOM 787 C GLU A 58 6.747 -5.599 7.032 1.00 0.00 C ATOM 788 O GLU A 58 6.584 -5.338 5.840 1.00 0.00 O ATOM 789 CB GLU A 58 5.748 -7.698 7.957 1.00 0.00 C ATOM 790 CG GLU A 58 4.787 -8.341 8.942 1.00 0.00 C ATOM 791 CD GLU A 58 5.251 -9.709 9.402 1.00 0.00 C ATOM 792 OE1 GLU A 58 6.423 -9.830 9.817 1.00 0.00 O ATOM 793 OE2 GLU A 58 4.442 -10.659 9.348 1.00 0.00 O ATOM 0 H GLU A 58 4.247 -5.929 6.296 1.00 0.00 H new ATOM 0 HA GLU A 58 5.671 -5.757 8.875 1.00 0.00 H new ATOM 0 HB2 GLU A 58 5.582 -8.126 6.968 1.00 0.00 H new ATOM 0 HB3 GLU A 58 6.770 -7.946 8.244 1.00 0.00 H new ATOM 0 HG2 GLU A 58 4.672 -7.690 9.809 1.00 0.00 H new ATOM 0 HG3 GLU A 58 3.805 -8.432 8.479 1.00 0.00 H new ATOM 800 N VAL A 59 7.900 -5.401 7.665 1.00 0.00 N ATOM 801 CA VAL A 59 9.064 -4.855 6.978 1.00 0.00 C ATOM 802 C VAL A 59 9.463 -5.728 5.793 1.00 0.00 C ATOM 803 O VAL A 59 9.893 -6.867 5.965 1.00 0.00 O ATOM 804 CB VAL A 59 10.267 -4.723 7.932 1.00 0.00 C ATOM 805 CG1 VAL A 59 11.457 -4.111 7.209 1.00 0.00 C ATOM 806 CG2 VAL A 59 9.890 -3.896 9.152 1.00 0.00 C ATOM 0 H VAL A 59 8.052 -5.611 8.652 1.00 0.00 H new ATOM 0 HA VAL A 59 8.784 -3.865 6.618 1.00 0.00 H new ATOM 0 HB VAL A 59 10.552 -5.719 8.271 1.00 0.00 H new ATOM 0 HG11 VAL A 59 12.297 -4.026 7.898 1.00 0.00 H new ATOM 0 HG12 VAL A 59 11.739 -4.747 6.370 1.00 0.00 H new ATOM 0 HG13 VAL A 59 11.189 -3.121 6.840 1.00 0.00 H new ATOM 0 HG21 VAL A 59 10.751 -3.813 9.815 1.00 0.00 H new ATOM 0 HG22 VAL A 59 9.579 -2.901 8.835 1.00 0.00 H new ATOM 0 HG23 VAL A 59 9.070 -4.381 9.681 1.00 0.00 H new ATOM 816 N GLY A 60 9.317 -5.183 4.589 1.00 0.00 N ATOM 817 CA GLY A 60 9.667 -5.926 3.392 1.00 0.00 C ATOM 818 C GLY A 60 8.497 -6.076 2.441 1.00 0.00 C ATOM 819 O GLY A 60 8.677 -6.103 1.223 1.00 0.00 O ATOM 0 H GLY A 60 8.963 -4.241 4.421 1.00 0.00 H new ATOM 0 HA2 GLY A 60 10.485 -5.420 2.880 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.031 -6.914 3.675 1.00 0.00 H new ATOM 823 N ASP A 61 7.294 -6.177 2.996 1.00 0.00 N ATOM 824 CA ASP A 61 6.089 -6.326 2.188 1.00 0.00 C ATOM 825 C ASP A 61 6.111 -5.373 0.997 1.00 0.00 C ATOM 826 O ASP A 61 6.678 -4.282 1.072 1.00 0.00 O ATOM 827 CB ASP A 61 4.844 -6.070 3.039 1.00 0.00 C ATOM 828 CG ASP A 61 4.381 -7.311 3.776 1.00 0.00 C ATOM 829 OD1 ASP A 61 5.147 -7.820 4.622 1.00 0.00 O ATOM 830 OD2 ASP A 61 3.252 -7.773 3.509 1.00 0.00 O ATOM 0 H ASP A 61 7.127 -6.158 4.002 1.00 0.00 H new ATOM 0 HA ASP A 61 6.058 -7.348 1.811 1.00 0.00 H new ATOM 0 HB2 ASP A 61 5.057 -5.281 3.760 1.00 0.00 H new ATOM 0 HB3 ASP A 61 4.038 -5.709 2.400 1.00 0.00 H new ATOM 835 N LEU A 62 5.492 -5.793 -0.101 1.00 0.00 N ATOM 836 CA LEU A 62 5.442 -4.977 -1.309 1.00 0.00 C ATOM 837 C LEU A 62 4.050 -4.387 -1.510 1.00 0.00 C ATOM 838 O LEU A 62 3.043 -5.080 -1.363 1.00 0.00 O ATOM 839 CB LEU A 62 5.834 -5.813 -2.529 1.00 0.00 C ATOM 840 CG LEU A 62 7.032 -6.745 -2.346 1.00 0.00 C ATOM 841 CD1 LEU A 62 6.967 -7.898 -3.337 1.00 0.00 C ATOM 842 CD2 LEU A 62 8.336 -5.976 -2.505 1.00 0.00 C ATOM 0 H LEU A 62 5.018 -6.693 -0.180 1.00 0.00 H new ATOM 0 HA LEU A 62 6.151 -4.157 -1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 62 4.974 -6.413 -2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 62 6.049 -5.135 -3.355 1.00 0.00 H new ATOM 0 HG LEU A 62 6.997 -7.157 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 62 7.828 -8.551 -3.192 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.050 -8.465 -3.176 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.977 -7.505 -4.354 1.00 0.00 H new ATOM 0 HD21 LEU A 62 9.178 -6.656 -2.371 1.00 0.00 H new ATOM 0 HD22 LEU A 62 8.380 -5.536 -3.501 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.386 -5.185 -1.756 1.00 0.00 H new ATOM 854 N VAL A 63 4.000 -3.102 -1.848 1.00 0.00 N ATOM 855 CA VAL A 63 2.732 -2.419 -2.072 1.00 0.00 C ATOM 856 C VAL A 63 2.415 -2.323 -3.561 1.00 0.00 C ATOM 857 O VAL A 63 3.205 -1.792 -4.342 1.00 0.00 O ATOM 858 CB VAL A 63 2.744 -1.002 -1.469 1.00 0.00 C ATOM 859 CG1 VAL A 63 1.324 -0.495 -1.267 1.00 0.00 C ATOM 860 CG2 VAL A 63 3.515 -0.988 -0.158 1.00 0.00 C ATOM 0 H VAL A 63 4.824 -2.513 -1.973 1.00 0.00 H new ATOM 0 HA VAL A 63 1.962 -3.010 -1.577 1.00 0.00 H new ATOM 0 HB VAL A 63 3.247 -0.333 -2.167 1.00 0.00 H new ATOM 0 HG11 VAL A 63 1.353 0.508 -0.840 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.808 -0.466 -2.227 1.00 0.00 H new ATOM 0 HG13 VAL A 63 0.792 -1.163 -0.589 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.513 0.021 0.254 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.043 -1.670 0.549 1.00 0.00 H new ATOM 0 HG23 VAL A 63 4.542 -1.305 -0.337 1.00 0.00 H new ATOM 870 N LEU A 64 1.254 -2.840 -3.947 1.00 0.00 N ATOM 871 CA LEU A 64 0.831 -2.813 -5.342 1.00 0.00 C ATOM 872 C LEU A 64 -0.190 -1.705 -5.580 1.00 0.00 C ATOM 873 O LEU A 64 -0.254 -1.128 -6.666 1.00 0.00 O ATOM 874 CB LEU A 64 0.236 -4.165 -5.742 1.00 0.00 C ATOM 875 CG LEU A 64 1.211 -5.342 -5.783 1.00 0.00 C ATOM 876 CD1 LEU A 64 0.573 -6.541 -6.467 1.00 0.00 C ATOM 877 CD2 LEU A 64 2.498 -4.944 -6.491 1.00 0.00 C ATOM 0 H LEU A 64 0.589 -3.283 -3.313 1.00 0.00 H new ATOM 0 HA LEU A 64 1.708 -2.613 -5.958 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -0.566 -4.407 -5.044 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -0.219 -4.062 -6.727 1.00 0.00 H new ATOM 0 HG LEU A 64 1.455 -5.622 -4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.282 -7.369 -6.487 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.320 -6.841 -5.918 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.299 -6.274 -7.488 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.180 -5.794 -6.511 1.00 0.00 H new ATOM 0 HD22 LEU A 64 2.272 -4.637 -7.512 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.965 -4.116 -5.958 1.00 0.00 H new ATOM 889 N HIS A 65 -0.986 -1.411 -4.557 1.00 0.00 N ATOM 890 CA HIS A 65 -2.002 -0.369 -4.654 1.00 0.00 C ATOM 891 C HIS A 65 -2.322 0.207 -3.278 1.00 0.00 C ATOM 892 O HIS A 65 -1.945 -0.361 -2.253 1.00 0.00 O ATOM 893 CB HIS A 65 -3.274 -0.926 -5.294 1.00 0.00 C ATOM 894 CG HIS A 65 -3.024 -1.688 -6.560 1.00 0.00 C ATOM 895 ND1 HIS A 65 -2.628 -1.085 -7.735 1.00 0.00 N ATOM 896 CD2 HIS A 65 -3.113 -3.011 -6.829 1.00 0.00 C ATOM 897 CE1 HIS A 65 -2.486 -2.004 -8.673 1.00 0.00 C ATOM 898 NE2 HIS A 65 -2.774 -3.182 -8.149 1.00 0.00 N ATOM 0 H HIS A 65 -0.947 -1.879 -3.652 1.00 0.00 H new ATOM 0 HA HIS A 65 -1.608 0.431 -5.281 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -3.774 -1.579 -4.579 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -3.956 -0.102 -5.504 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -3.398 -3.788 -6.135 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -2.186 -1.823 -9.694 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -2.749 -4.073 -8.644 1.00 0.00 H new ATOM 907 N ILE A 66 -3.019 1.339 -3.263 1.00 0.00 N ATOM 908 CA ILE A 66 -3.389 1.991 -2.013 1.00 0.00 C ATOM 909 C ILE A 66 -4.698 2.760 -2.161 1.00 0.00 C ATOM 910 O ILE A 66 -4.850 3.577 -3.068 1.00 0.00 O ATOM 911 CB ILE A 66 -2.290 2.958 -1.536 1.00 0.00 C ATOM 912 CG1 ILE A 66 -1.031 2.181 -1.146 1.00 0.00 C ATOM 913 CG2 ILE A 66 -2.789 3.791 -0.365 1.00 0.00 C ATOM 914 CD1 ILE A 66 0.149 3.069 -0.815 1.00 0.00 C ATOM 0 H ILE A 66 -3.338 1.823 -4.102 1.00 0.00 H new ATOM 0 HA ILE A 66 -3.515 1.203 -1.271 1.00 0.00 H new ATOM 0 HB ILE A 66 -2.039 3.632 -2.355 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -1.255 1.551 -0.285 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -0.756 1.516 -1.964 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -2.001 4.470 -0.039 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -3.660 4.369 -0.674 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -3.064 3.132 0.459 1.00 0.00 H new ATOM 0 HD11 ILE A 66 1.006 2.451 -0.548 1.00 0.00 H new ATOM 0 HD12 ILE A 66 0.399 3.680 -1.682 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -0.107 3.717 0.024 1.00 0.00 H new ATOM 926 N ASN A 67 -5.640 2.492 -1.262 1.00 0.00 N ATOM 927 CA ASN A 67 -6.936 3.160 -1.292 1.00 0.00 C ATOM 928 C ASN A 67 -7.642 2.918 -2.622 1.00 0.00 C ATOM 929 O ASN A 67 -8.338 3.793 -3.136 1.00 0.00 O ATOM 930 CB ASN A 67 -6.765 4.662 -1.058 1.00 0.00 C ATOM 931 CG ASN A 67 -5.915 4.965 0.161 1.00 0.00 C ATOM 932 OD1 ASN A 67 -4.944 5.718 0.083 1.00 0.00 O ATOM 933 ND2 ASN A 67 -6.277 4.377 1.295 1.00 0.00 N ATOM 0 H ASN A 67 -5.530 1.818 -0.505 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.550 2.743 -0.494 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.307 5.114 -1.938 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.746 5.122 -0.937 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -5.743 4.542 2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -7.089 3.760 1.313 1.00 0.00 H new ATOM 940 N GLY A 68 -7.458 1.723 -3.175 1.00 0.00 N ATOM 941 CA GLY A 68 -8.084 1.387 -4.441 1.00 0.00 C ATOM 942 C GLY A 68 -7.522 2.189 -5.597 1.00 0.00 C ATOM 943 O GLY A 68 -8.121 2.246 -6.670 1.00 0.00 O ATOM 0 H GLY A 68 -6.887 0.982 -2.769 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -7.947 0.324 -4.640 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -9.158 1.562 -4.370 1.00 0.00 H new ATOM 947 N GLU A 69 -6.368 2.812 -5.378 1.00 0.00 N ATOM 948 CA GLU A 69 -5.726 3.617 -6.411 1.00 0.00 C ATOM 949 C GLU A 69 -4.574 2.854 -7.057 1.00 0.00 C ATOM 950 O GLU A 69 -4.113 1.841 -6.531 1.00 0.00 O ATOM 951 CB GLU A 69 -5.214 4.931 -5.819 1.00 0.00 C ATOM 952 CG GLU A 69 -6.309 5.796 -5.217 1.00 0.00 C ATOM 953 CD GLU A 69 -7.116 6.532 -6.269 1.00 0.00 C ATOM 954 OE1 GLU A 69 -6.565 7.458 -6.899 1.00 0.00 O ATOM 955 OE2 GLU A 69 -8.299 6.181 -6.462 1.00 0.00 O ATOM 0 H GLU A 69 -5.859 2.775 -4.495 1.00 0.00 H new ATOM 0 HA GLU A 69 -6.468 3.837 -7.178 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.474 4.709 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.704 5.496 -6.599 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.976 5.170 -4.624 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.862 6.520 -4.536 1.00 0.00 H new ATOM 962 N SER A 70 -4.114 3.348 -8.202 1.00 0.00 N ATOM 963 CA SER A 70 -3.018 2.711 -8.924 1.00 0.00 C ATOM 964 C SER A 70 -1.705 3.449 -8.679 1.00 0.00 C ATOM 965 O SER A 70 -1.505 4.563 -9.163 1.00 0.00 O ATOM 966 CB SER A 70 -3.322 2.672 -10.423 1.00 0.00 C ATOM 967 OG SER A 70 -4.032 1.496 -10.769 1.00 0.00 O ATOM 0 H SER A 70 -4.483 4.187 -8.650 1.00 0.00 H new ATOM 0 HA SER A 70 -2.916 1.691 -8.554 1.00 0.00 H new ATOM 0 HB2 SER A 70 -3.907 3.549 -10.702 1.00 0.00 H new ATOM 0 HB3 SER A 70 -2.391 2.718 -10.987 1.00 0.00 H new ATOM 0 HG SER A 70 -4.216 1.496 -11.732 1.00 0.00 H new ATOM 973 N THR A 71 -0.812 2.818 -7.923 1.00 0.00 N ATOM 974 CA THR A 71 0.482 3.413 -7.611 1.00 0.00 C ATOM 975 C THR A 71 1.419 3.350 -8.811 1.00 0.00 C ATOM 976 O THR A 71 2.579 3.753 -8.725 1.00 0.00 O ATOM 977 CB THR A 71 1.150 2.710 -6.414 1.00 0.00 C ATOM 978 OG1 THR A 71 2.404 3.334 -6.117 1.00 0.00 O ATOM 979 CG2 THR A 71 1.369 1.234 -6.708 1.00 0.00 C ATOM 0 H THR A 71 -0.961 1.895 -7.515 1.00 0.00 H new ATOM 0 HA THR A 71 0.297 4.456 -7.353 1.00 0.00 H new ATOM 0 HB THR A 71 0.488 2.798 -5.553 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.777 3.724 -6.935 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.842 0.758 -5.849 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.409 0.756 -6.905 1.00 0.00 H new ATOM 0 HG23 THR A 71 2.013 1.129 -7.581 1.00 0.00 H new ATOM 987 N GLN A 72 0.909 2.843 -9.929 1.00 0.00 N ATOM 988 CA GLN A 72 1.703 2.728 -11.147 1.00 0.00 C ATOM 989 C GLN A 72 2.288 4.079 -11.545 1.00 0.00 C ATOM 990 O GLN A 72 3.353 4.149 -12.156 1.00 0.00 O ATOM 991 CB GLN A 72 0.848 2.173 -12.287 1.00 0.00 C ATOM 992 CG GLN A 72 -0.167 3.168 -12.827 1.00 0.00 C ATOM 993 CD GLN A 72 -1.125 2.544 -13.822 1.00 0.00 C ATOM 994 OE1 GLN A 72 -0.729 1.726 -14.653 1.00 0.00 O ATOM 995 NE2 GLN A 72 -2.394 2.926 -13.742 1.00 0.00 N ATOM 0 H GLN A 72 -0.050 2.506 -10.017 1.00 0.00 H new ATOM 0 HA GLN A 72 2.526 2.040 -10.951 1.00 0.00 H new ATOM 0 HB2 GLN A 72 1.502 1.857 -13.100 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.322 1.285 -11.937 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.735 3.589 -11.997 1.00 0.00 H new ATOM 0 HG3 GLN A 72 0.359 3.995 -13.305 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -2.678 3.607 -13.038 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -3.085 2.539 -14.385 1.00 0.00 H new ATOM 1004 N GLY A 73 1.583 5.150 -11.194 1.00 0.00 N ATOM 1005 CA GLY A 73 2.048 6.485 -11.524 1.00 0.00 C ATOM 1006 C GLY A 73 2.050 7.411 -10.324 1.00 0.00 C ATOM 1007 O GLY A 73 1.974 8.631 -10.472 1.00 0.00 O ATOM 0 H GLY A 73 0.698 5.117 -10.687 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.056 6.424 -11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 73 1.412 6.906 -12.303 1.00 0.00 H new ATOM 1011 N LEU A 74 2.137 6.832 -9.132 1.00 0.00 N ATOM 1012 CA LEU A 74 2.147 7.613 -7.900 1.00 0.00 C ATOM 1013 C LEU A 74 3.455 7.415 -7.140 1.00 0.00 C ATOM 1014 O LEU A 74 3.761 6.313 -6.684 1.00 0.00 O ATOM 1015 CB LEU A 74 0.965 7.220 -7.013 1.00 0.00 C ATOM 1016 CG LEU A 74 -0.416 7.285 -7.668 1.00 0.00 C ATOM 1017 CD1 LEU A 74 -1.468 6.672 -6.757 1.00 0.00 C ATOM 1018 CD2 LEU A 74 -0.777 8.723 -8.009 1.00 0.00 C ATOM 0 H LEU A 74 2.202 5.824 -8.992 1.00 0.00 H new ATOM 0 HA LEU A 74 2.058 8.666 -8.167 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.128 6.204 -6.654 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.961 7.870 -6.138 1.00 0.00 H new ATOM 0 HG LEU A 74 -0.386 6.709 -8.593 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -2.444 6.727 -7.239 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -1.218 5.629 -6.562 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -1.497 7.220 -5.815 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -1.762 8.750 -8.474 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.789 9.321 -7.098 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -0.038 9.130 -8.700 1.00 0.00 H new ATOM 1030 N THR A 75 4.224 8.492 -7.005 1.00 0.00 N ATOM 1031 CA THR A 75 5.498 8.437 -6.300 1.00 0.00 C ATOM 1032 C THR A 75 5.289 8.270 -4.799 1.00 0.00 C ATOM 1033 O THR A 75 4.156 8.174 -4.327 1.00 0.00 O ATOM 1034 CB THR A 75 6.335 9.705 -6.553 1.00 0.00 C ATOM 1035 OG1 THR A 75 5.509 10.869 -6.431 1.00 0.00 O ATOM 1036 CG2 THR A 75 6.968 9.670 -7.935 1.00 0.00 C ATOM 0 H THR A 75 3.986 9.412 -7.375 1.00 0.00 H new ATOM 0 HA THR A 75 6.037 7.572 -6.687 1.00 0.00 H new ATOM 0 HB THR A 75 7.130 9.743 -5.808 1.00 0.00 H new ATOM 0 HG1 THR A 75 6.048 11.671 -6.591 1.00 0.00 H new ATOM 0 HG21 THR A 75 7.554 10.576 -8.090 1.00 0.00 H new ATOM 0 HG22 THR A 75 7.619 8.799 -8.015 1.00 0.00 H new ATOM 0 HG23 THR A 75 6.186 9.610 -8.692 1.00 0.00 H new ATOM 1044 N HIS A 76 6.389 8.237 -4.053 1.00 0.00 N ATOM 1045 CA HIS A 76 6.326 8.083 -2.604 1.00 0.00 C ATOM 1046 C HIS A 76 5.350 9.084 -1.994 1.00 0.00 C ATOM 1047 O HIS A 76 4.529 8.730 -1.148 1.00 0.00 O ATOM 1048 CB HIS A 76 7.713 8.266 -1.990 1.00 0.00 C ATOM 1049 CG HIS A 76 7.740 8.080 -0.504 1.00 0.00 C ATOM 1050 ND1 HIS A 76 7.695 9.130 0.388 1.00 0.00 N ATOM 1051 CD2 HIS A 76 7.805 6.955 0.246 1.00 0.00 C ATOM 1052 CE1 HIS A 76 7.733 8.660 1.622 1.00 0.00 C ATOM 1053 NE2 HIS A 76 7.800 7.342 1.563 1.00 0.00 N ATOM 0 H HIS A 76 7.334 8.315 -4.428 1.00 0.00 H new ATOM 0 HA HIS A 76 5.971 7.076 -2.385 1.00 0.00 H new ATOM 0 HB2 HIS A 76 8.401 7.556 -2.449 1.00 0.00 H new ATOM 0 HB3 HIS A 76 8.078 9.265 -2.230 1.00 0.00 H new ATOM 0 HD2 HIS A 76 7.852 5.941 -0.123 1.00 0.00 H new ATOM 0 HE1 HIS A 76 7.713 9.252 2.525 1.00 0.00 H new ATOM 0 HE2 HIS A 76 7.841 6.714 2.366 1.00 0.00 H new ATOM 1062 N ALA A 77 5.446 10.337 -2.428 1.00 0.00 N ATOM 1063 CA ALA A 77 4.571 11.389 -1.925 1.00 0.00 C ATOM 1064 C ALA A 77 3.126 11.151 -2.350 1.00 0.00 C ATOM 1065 O ALA A 77 2.206 11.262 -1.541 1.00 0.00 O ATOM 1066 CB ALA A 77 5.049 12.750 -2.410 1.00 0.00 C ATOM 0 H ALA A 77 6.121 10.648 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 77 4.610 11.370 -0.836 1.00 0.00 H new ATOM 0 HB1 ALA A 77 4.386 13.526 -2.027 1.00 0.00 H new ATOM 0 HB2 ALA A 77 6.063 12.929 -2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 77 5.041 12.771 -3.500 1.00 0.00 H new ATOM 1072 N GLN A 78 2.935 10.826 -3.625 1.00 0.00 N ATOM 1073 CA GLN A 78 1.601 10.574 -4.157 1.00 0.00 C ATOM 1074 C GLN A 78 0.917 9.442 -3.398 1.00 0.00 C ATOM 1075 O GLN A 78 -0.266 9.526 -3.072 1.00 0.00 O ATOM 1076 CB GLN A 78 1.679 10.233 -5.646 1.00 0.00 C ATOM 1077 CG GLN A 78 2.116 11.401 -6.516 1.00 0.00 C ATOM 1078 CD GLN A 78 1.076 12.502 -6.579 1.00 0.00 C ATOM 1079 OE1 GLN A 78 -0.115 12.238 -6.745 1.00 0.00 O ATOM 1080 NE2 GLN A 78 1.522 13.746 -6.446 1.00 0.00 N ATOM 0 H GLN A 78 3.687 10.731 -4.308 1.00 0.00 H new ATOM 0 HA GLN A 78 1.009 11.481 -4.030 1.00 0.00 H new ATOM 0 HB2 GLN A 78 2.376 9.407 -5.785 1.00 0.00 H new ATOM 0 HB3 GLN A 78 0.702 9.886 -5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 78 3.049 11.809 -6.128 1.00 0.00 H new ATOM 0 HG3 GLN A 78 2.321 11.041 -7.524 1.00 0.00 H new ATOM 0 HE21 GLN A 78 2.518 13.919 -6.310 1.00 0.00 H new ATOM 0 HE22 GLN A 78 0.868 14.528 -6.480 1.00 0.00 H new ATOM 1089 N ALA A 79 1.670 8.382 -3.122 1.00 0.00 N ATOM 1090 CA ALA A 79 1.137 7.233 -2.401 1.00 0.00 C ATOM 1091 C ALA A 79 0.719 7.619 -0.985 1.00 0.00 C ATOM 1092 O ALA A 79 -0.409 7.359 -0.567 1.00 0.00 O ATOM 1093 CB ALA A 79 2.163 6.111 -2.363 1.00 0.00 C ATOM 0 H ALA A 79 2.651 8.295 -3.387 1.00 0.00 H new ATOM 0 HA ALA A 79 0.251 6.882 -2.931 1.00 0.00 H new ATOM 0 HB1 ALA A 79 1.751 5.259 -1.821 1.00 0.00 H new ATOM 0 HB2 ALA A 79 2.410 5.809 -3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 79 3.065 6.459 -1.859 1.00 0.00 H new ATOM 1099 N VAL A 80 1.637 8.240 -0.251 1.00 0.00 N ATOM 1100 CA VAL A 80 1.365 8.662 1.117 1.00 0.00 C ATOM 1101 C VAL A 80 0.157 9.591 1.176 1.00 0.00 C ATOM 1102 O VAL A 80 -0.682 9.477 2.068 1.00 0.00 O ATOM 1103 CB VAL A 80 2.580 9.377 1.737 1.00 0.00 C ATOM 1104 CG1 VAL A 80 2.214 9.982 3.084 1.00 0.00 C ATOM 1105 CG2 VAL A 80 3.750 8.416 1.875 1.00 0.00 C ATOM 0 H VAL A 80 2.576 8.462 -0.582 1.00 0.00 H new ATOM 0 HA VAL A 80 1.154 7.759 1.690 1.00 0.00 H new ATOM 0 HB VAL A 80 2.881 10.187 1.072 1.00 0.00 H new ATOM 0 HG11 VAL A 80 3.085 10.483 3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 80 1.409 10.704 2.952 1.00 0.00 H new ATOM 0 HG13 VAL A 80 1.886 9.193 3.760 1.00 0.00 H new ATOM 0 HG21 VAL A 80 4.600 8.938 2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 80 3.463 7.584 2.518 1.00 0.00 H new ATOM 0 HG23 VAL A 80 4.027 8.036 0.892 1.00 0.00 H new ATOM 1115 N GLU A 81 0.077 10.509 0.218 1.00 0.00 N ATOM 1116 CA GLU A 81 -1.028 11.458 0.161 1.00 0.00 C ATOM 1117 C GLU A 81 -2.369 10.731 0.122 1.00 0.00 C ATOM 1118 O GLU A 81 -3.330 11.142 0.773 1.00 0.00 O ATOM 1119 CB GLU A 81 -0.891 12.363 -1.065 1.00 0.00 C ATOM 1120 CG GLU A 81 -1.508 13.739 -0.879 1.00 0.00 C ATOM 1121 CD GLU A 81 -0.563 14.716 -0.207 1.00 0.00 C ATOM 1122 OE1 GLU A 81 0.211 14.282 0.672 1.00 0.00 O ATOM 1123 OE2 GLU A 81 -0.598 15.914 -0.558 1.00 0.00 O ATOM 0 H GLU A 81 0.764 10.615 -0.529 1.00 0.00 H new ATOM 0 HA GLU A 81 -0.992 12.071 1.062 1.00 0.00 H new ATOM 0 HB2 GLU A 81 0.166 12.478 -1.305 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -1.361 11.876 -1.920 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.803 14.135 -1.851 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -2.416 13.648 -0.282 1.00 0.00 H new ATOM 1130 N ARG A 82 -2.425 9.647 -0.645 1.00 0.00 N ATOM 1131 CA ARG A 82 -3.647 8.863 -0.771 1.00 0.00 C ATOM 1132 C ARG A 82 -4.025 8.227 0.564 1.00 0.00 C ATOM 1133 O ARG A 82 -5.206 8.097 0.888 1.00 0.00 O ATOM 1134 CB ARG A 82 -3.475 7.777 -1.835 1.00 0.00 C ATOM 1135 CG ARG A 82 -3.224 8.325 -3.230 1.00 0.00 C ATOM 1136 CD ARG A 82 -4.453 9.030 -3.781 1.00 0.00 C ATOM 1137 NE ARG A 82 -4.553 10.408 -3.306 1.00 0.00 N ATOM 1138 CZ ARG A 82 -5.521 11.242 -3.670 1.00 0.00 C ATOM 1139 NH1 ARG A 82 -6.466 10.841 -4.508 1.00 0.00 N ATOM 1140 NH2 ARG A 82 -5.544 12.481 -3.194 1.00 0.00 N ATOM 0 H ARG A 82 -1.638 9.292 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 82 -4.450 9.535 -1.074 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -2.643 7.132 -1.552 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -4.369 7.154 -1.854 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -2.385 9.021 -3.203 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -2.941 7.510 -3.897 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -4.416 9.024 -4.870 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.348 8.480 -3.489 1.00 0.00 H new ATOM 0 HE ARG A 82 -3.841 10.748 -2.660 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.452 9.890 -4.875 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -7.208 11.484 -4.785 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -4.818 12.793 -2.549 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -6.287 13.121 -3.474 1.00 0.00 H new ATOM 1154 N ILE A 83 -3.016 7.832 1.332 1.00 0.00 N ATOM 1155 CA ILE A 83 -3.242 7.211 2.631 1.00 0.00 C ATOM 1156 C ILE A 83 -3.799 8.217 3.632 1.00 0.00 C ATOM 1157 O ILE A 83 -4.800 7.955 4.299 1.00 0.00 O ATOM 1158 CB ILE A 83 -1.945 6.603 3.198 1.00 0.00 C ATOM 1159 CG1 ILE A 83 -1.333 5.625 2.193 1.00 0.00 C ATOM 1160 CG2 ILE A 83 -2.222 5.907 4.522 1.00 0.00 C ATOM 1161 CD1 ILE A 83 0.100 5.254 2.507 1.00 0.00 C ATOM 0 H ILE A 83 -2.033 7.931 1.077 1.00 0.00 H new ATOM 0 HA ILE A 83 -3.970 6.414 2.477 1.00 0.00 H new ATOM 0 HB ILE A 83 -1.230 7.407 3.375 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -1.937 4.718 2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.376 6.066 1.197 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -1.296 5.482 4.910 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.618 6.629 5.237 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -2.950 5.111 4.369 1.00 0.00 H new ATOM 0 HD11 ILE A 83 0.469 4.558 1.754 1.00 0.00 H new ATOM 0 HD12 ILE A 83 0.717 6.152 2.505 1.00 0.00 H new ATOM 0 HD13 ILE A 83 0.147 4.784 3.489 1.00 0.00 H new ATOM 1173 N ARG A 84 -3.145 9.370 3.730 1.00 0.00 N ATOM 1174 CA ARG A 84 -3.575 10.416 4.650 1.00 0.00 C ATOM 1175 C ARG A 84 -4.952 10.948 4.262 1.00 0.00 C ATOM 1176 O ARG A 84 -5.689 11.462 5.103 1.00 0.00 O ATOM 1177 CB ARG A 84 -2.560 11.560 4.664 1.00 0.00 C ATOM 1178 CG ARG A 84 -2.791 12.594 3.574 1.00 0.00 C ATOM 1179 CD ARG A 84 -1.892 13.806 3.756 1.00 0.00 C ATOM 1180 NE ARG A 84 -2.282 14.913 2.886 1.00 0.00 N ATOM 1181 CZ ARG A 84 -3.414 15.594 3.025 1.00 0.00 C ATOM 1182 NH1 ARG A 84 -4.263 15.284 3.995 1.00 0.00 N ATOM 1183 NH2 ARG A 84 -3.698 16.588 2.194 1.00 0.00 N ATOM 0 H ARG A 84 -2.316 9.603 3.184 1.00 0.00 H new ATOM 0 HA ARG A 84 -3.639 9.984 5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -2.596 12.054 5.635 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -1.558 11.146 4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -2.604 12.144 2.599 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -3.834 12.909 3.585 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -1.929 14.132 4.796 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -0.860 13.526 3.546 1.00 0.00 H new ATOM 0 HE ARG A 84 -1.650 15.178 2.130 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -4.048 14.521 4.637 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -5.132 15.809 4.100 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -3.047 16.830 1.447 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -4.568 17.110 2.302 1.00 0.00 H new ATOM 1197 N ALA A 85 -5.291 10.821 2.983 1.00 0.00 N ATOM 1198 CA ALA A 85 -6.579 11.288 2.485 1.00 0.00 C ATOM 1199 C ALA A 85 -7.597 10.153 2.448 1.00 0.00 C ATOM 1200 O ALA A 85 -8.736 10.341 2.023 1.00 0.00 O ATOM 1201 CB ALA A 85 -6.419 11.901 1.102 1.00 0.00 C ATOM 0 H ALA A 85 -4.692 10.399 2.274 1.00 0.00 H new ATOM 0 HA ALA A 85 -6.950 12.052 3.168 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -7.389 12.245 0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.731 12.745 1.155 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.023 11.153 0.416 1.00 0.00 H new ATOM 1207 N GLY A 86 -7.178 8.973 2.896 1.00 0.00 N ATOM 1208 CA GLY A 86 -8.065 7.825 2.905 1.00 0.00 C ATOM 1209 C GLY A 86 -9.193 7.971 3.907 1.00 0.00 C ATOM 1210 O GLY A 86 -10.195 7.261 3.833 1.00 0.00 O ATOM 0 H GLY A 86 -6.240 8.792 3.253 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -8.484 7.686 1.908 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -7.491 6.928 3.137 1.00 0.00 H new ATOM 1214 N GLY A 87 -9.028 8.894 4.850 1.00 0.00 N ATOM 1215 CA GLY A 87 -10.047 9.113 5.860 1.00 0.00 C ATOM 1216 C GLY A 87 -9.733 8.405 7.163 1.00 0.00 C ATOM 1217 O GLY A 87 -8.581 8.088 7.460 1.00 0.00 O ATOM 0 H GLY A 87 -8.207 9.494 4.932 1.00 0.00 H new ATOM 0 HA2 GLY A 87 -10.146 10.182 6.046 1.00 0.00 H new ATOM 0 HA3 GLY A 87 -11.009 8.764 5.483 1.00 0.00 H new ATOM 1221 N PRO A 88 -10.775 8.149 7.968 1.00 0.00 N ATOM 1222 CA PRO A 88 -10.629 7.473 9.261 1.00 0.00 C ATOM 1223 C PRO A 88 -10.260 6.002 9.107 1.00 0.00 C ATOM 1224 O PRO A 88 -9.979 5.318 10.091 1.00 0.00 O ATOM 1225 CB PRO A 88 -12.016 7.614 9.893 1.00 0.00 C ATOM 1226 CG PRO A 88 -12.946 7.761 8.738 1.00 0.00 C ATOM 1227 CD PRO A 88 -12.176 8.499 7.678 1.00 0.00 C ATOM 0 HA PRO A 88 -9.827 7.905 9.859 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -12.267 6.741 10.495 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -12.064 8.480 10.553 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -13.274 6.787 8.375 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -13.841 8.313 9.025 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -12.469 8.185 6.676 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -12.342 9.575 7.736 1.00 0.00 H new ATOM 1235 N GLN A 89 -10.263 5.522 7.868 1.00 0.00 N ATOM 1236 CA GLN A 89 -9.929 4.131 7.587 1.00 0.00 C ATOM 1237 C GLN A 89 -8.801 4.038 6.564 1.00 0.00 C ATOM 1238 O GLN A 89 -8.886 4.612 5.478 1.00 0.00 O ATOM 1239 CB GLN A 89 -11.160 3.381 7.076 1.00 0.00 C ATOM 1240 CG GLN A 89 -12.025 2.805 8.185 1.00 0.00 C ATOM 1241 CD GLN A 89 -11.470 1.510 8.745 1.00 0.00 C ATOM 1242 OE1 GLN A 89 -10.364 1.477 9.285 1.00 0.00 O ATOM 1243 NE2 GLN A 89 -12.237 0.433 8.619 1.00 0.00 N ATOM 0 H GLN A 89 -10.493 6.076 7.043 1.00 0.00 H new ATOM 0 HA GLN A 89 -9.592 3.670 8.516 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -11.763 4.058 6.471 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.836 2.572 6.421 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -12.113 3.536 8.989 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -13.030 2.630 7.802 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -13.147 0.505 8.164 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -11.916 -0.467 8.977 1.00 0.00 H new ATOM 1252 N LEU A 90 -7.747 3.312 6.918 1.00 0.00 N ATOM 1253 CA LEU A 90 -6.601 3.143 6.031 1.00 0.00 C ATOM 1254 C LEU A 90 -6.749 1.884 5.183 1.00 0.00 C ATOM 1255 O LEU A 90 -7.057 0.809 5.698 1.00 0.00 O ATOM 1256 CB LEU A 90 -5.307 3.075 6.844 1.00 0.00 C ATOM 1257 CG LEU A 90 -4.172 2.255 6.230 1.00 0.00 C ATOM 1258 CD1 LEU A 90 -2.822 2.795 6.676 1.00 0.00 C ATOM 1259 CD2 LEU A 90 -4.311 0.787 6.606 1.00 0.00 C ATOM 0 H LEU A 90 -7.662 2.831 7.813 1.00 0.00 H new ATOM 0 HA LEU A 90 -6.559 4.004 5.365 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -4.948 4.092 7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -5.539 2.660 7.825 1.00 0.00 H new ATOM 0 HG LEU A 90 -4.234 2.339 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -2.026 2.199 6.229 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -2.722 3.832 6.357 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -2.749 2.741 7.762 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -3.495 0.218 6.160 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -4.275 0.684 7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -5.263 0.405 6.237 1.00 0.00 H new ATOM 1271 N HIS A 91 -6.527 2.025 3.880 1.00 0.00 N ATOM 1272 CA HIS A 91 -6.633 0.898 2.960 1.00 0.00 C ATOM 1273 C HIS A 91 -5.372 0.768 2.111 1.00 0.00 C ATOM 1274 O HIS A 91 -5.031 1.671 1.345 1.00 0.00 O ATOM 1275 CB HIS A 91 -7.855 1.063 2.056 1.00 0.00 C ATOM 1276 CG HIS A 91 -8.406 -0.235 1.550 1.00 0.00 C ATOM 1277 ND1 HIS A 91 -8.352 -0.609 0.224 1.00 0.00 N ATOM 1278 CD2 HIS A 91 -9.022 -1.249 2.201 1.00 0.00 C ATOM 1279 CE1 HIS A 91 -8.913 -1.796 0.080 1.00 0.00 C ATOM 1280 NE2 HIS A 91 -9.328 -2.207 1.265 1.00 0.00 N ATOM 0 H HIS A 91 -6.273 2.908 3.438 1.00 0.00 H new ATOM 0 HA HIS A 91 -6.747 -0.011 3.551 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -8.635 1.590 2.606 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -7.586 1.690 1.206 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -9.234 -1.296 3.259 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.015 -2.338 -0.848 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -9.799 -3.092 1.454 1.00 0.00 H new ATOM 1289 N LEU A 92 -4.683 -0.358 2.253 1.00 0.00 N ATOM 1290 CA LEU A 92 -3.458 -0.605 1.500 1.00 0.00 C ATOM 1291 C LEU A 92 -3.465 -2.005 0.893 1.00 0.00 C ATOM 1292 O LEU A 92 -3.741 -2.989 1.580 1.00 0.00 O ATOM 1293 CB LEU A 92 -2.236 -0.435 2.404 1.00 0.00 C ATOM 1294 CG LEU A 92 -2.307 0.705 3.421 1.00 0.00 C ATOM 1295 CD1 LEU A 92 -1.171 0.596 4.426 1.00 0.00 C ATOM 1296 CD2 LEU A 92 -2.270 2.052 2.715 1.00 0.00 C ATOM 0 H LEU A 92 -4.951 -1.115 2.882 1.00 0.00 H new ATOM 0 HA LEU A 92 -3.406 0.122 0.690 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -2.076 -1.368 2.945 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -1.361 -0.278 1.773 1.00 0.00 H new ATOM 0 HG LEU A 92 -3.250 0.626 3.961 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -1.238 1.416 5.141 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -1.243 -0.354 4.955 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -0.216 0.648 3.903 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -2.321 2.852 3.454 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -1.343 2.141 2.148 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -3.119 2.130 2.036 1.00 0.00 H new ATOM 1308 N VAL A 93 -3.157 -2.087 -0.397 1.00 0.00 N ATOM 1309 CA VAL A 93 -3.124 -3.366 -1.096 1.00 0.00 C ATOM 1310 C VAL A 93 -1.717 -3.953 -1.103 1.00 0.00 C ATOM 1311 O VAL A 93 -0.826 -3.447 -1.785 1.00 0.00 O ATOM 1312 CB VAL A 93 -3.617 -3.226 -2.548 1.00 0.00 C ATOM 1313 CG1 VAL A 93 -3.885 -4.594 -3.156 1.00 0.00 C ATOM 1314 CG2 VAL A 93 -4.863 -2.355 -2.605 1.00 0.00 C ATOM 0 H VAL A 93 -2.927 -1.282 -0.980 1.00 0.00 H new ATOM 0 HA VAL A 93 -3.792 -4.038 -0.557 1.00 0.00 H new ATOM 0 HB VAL A 93 -2.835 -2.742 -3.134 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -4.233 -4.474 -4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -2.967 -5.181 -3.150 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -4.648 -5.108 -2.572 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -5.198 -2.266 -3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -5.652 -2.809 -2.005 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -4.633 -1.365 -2.212 1.00 0.00 H new ATOM 1324 N ILE A 94 -1.525 -5.023 -0.339 1.00 0.00 N ATOM 1325 CA ILE A 94 -0.226 -5.680 -0.259 1.00 0.00 C ATOM 1326 C ILE A 94 -0.295 -7.104 -0.801 1.00 0.00 C ATOM 1327 O ILE A 94 -1.323 -7.773 -0.688 1.00 0.00 O ATOM 1328 CB ILE A 94 0.297 -5.719 1.189 1.00 0.00 C ATOM 1329 CG1 ILE A 94 0.407 -4.301 1.753 1.00 0.00 C ATOM 1330 CG2 ILE A 94 1.643 -6.424 1.247 1.00 0.00 C ATOM 1331 CD1 ILE A 94 1.345 -3.410 0.968 1.00 0.00 C ATOM 0 H ILE A 94 -2.252 -5.453 0.233 1.00 0.00 H new ATOM 0 HA ILE A 94 0.461 -5.094 -0.870 1.00 0.00 H new ATOM 0 HB ILE A 94 -0.411 -6.279 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -0.584 -3.847 1.769 1.00 0.00 H new ATOM 0 HG13 ILE A 94 0.750 -4.355 2.786 1.00 0.00 H new ATOM 0 HG21 ILE A 94 1.999 -6.443 2.277 1.00 0.00 H new ATOM 0 HG22 ILE A 94 1.535 -7.445 0.881 1.00 0.00 H new ATOM 0 HG23 ILE A 94 2.361 -5.890 0.625 1.00 0.00 H new ATOM 0 HD11 ILE A 94 1.374 -2.421 1.424 1.00 0.00 H new ATOM 0 HD12 ILE A 94 2.346 -3.841 0.973 1.00 0.00 H new ATOM 0 HD13 ILE A 94 0.992 -3.325 -0.060 1.00 0.00 H new ATOM 1343 N ARG A 95 0.805 -7.562 -1.389 1.00 0.00 N ATOM 1344 CA ARG A 95 0.870 -8.907 -1.948 1.00 0.00 C ATOM 1345 C ARG A 95 2.172 -9.598 -1.553 1.00 0.00 C ATOM 1346 O ARG A 95 3.223 -9.346 -2.143 1.00 0.00 O ATOM 1347 CB ARG A 95 0.749 -8.855 -3.472 1.00 0.00 C ATOM 1348 CG ARG A 95 1.207 -10.129 -4.163 1.00 0.00 C ATOM 1349 CD ARG A 95 1.352 -9.927 -5.663 1.00 0.00 C ATOM 1350 NE ARG A 95 2.657 -9.376 -6.017 1.00 0.00 N ATOM 1351 CZ ARG A 95 2.939 -8.864 -7.210 1.00 0.00 C ATOM 1352 NH1 ARG A 95 2.012 -8.832 -8.157 1.00 0.00 N ATOM 1353 NH2 ARG A 95 4.150 -8.381 -7.457 1.00 0.00 N ATOM 0 H ARG A 95 1.664 -7.021 -1.491 1.00 0.00 H new ATOM 0 HA ARG A 95 0.037 -9.482 -1.544 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -0.290 -8.660 -3.739 1.00 0.00 H new ATOM 0 HB3 ARG A 95 1.337 -8.017 -3.846 1.00 0.00 H new ATOM 0 HG2 ARG A 95 2.161 -10.449 -3.744 1.00 0.00 H new ATOM 0 HG3 ARG A 95 0.490 -10.927 -3.970 1.00 0.00 H new ATOM 0 HD2 ARG A 95 1.211 -10.880 -6.173 1.00 0.00 H new ATOM 0 HD3 ARG A 95 0.568 -9.257 -6.016 1.00 0.00 H new ATOM 0 HE ARG A 95 3.392 -9.385 -5.310 1.00 0.00 H new ATOM 0 HH11 ARG A 95 1.080 -9.201 -7.971 1.00 0.00 H new ATOM 0 HH12 ARG A 95 2.231 -8.438 -9.072 1.00 0.00 H new ATOM 0 HH21 ARG A 95 4.866 -8.403 -6.730 1.00 0.00 H new ATOM 0 HH22 ARG A 95 4.365 -7.988 -8.373 1.00 0.00 H new ATOM 1367 N ARG A 96 2.094 -10.468 -0.552 1.00 0.00 N ATOM 1368 CA ARG A 96 3.266 -11.194 -0.078 1.00 0.00 C ATOM 1369 C ARG A 96 3.911 -11.987 -1.212 1.00 0.00 C ATOM 1370 O ARG A 96 3.280 -12.831 -1.848 1.00 0.00 O ATOM 1371 CB ARG A 96 2.882 -12.137 1.063 1.00 0.00 C ATOM 1372 CG ARG A 96 2.775 -11.448 2.414 1.00 0.00 C ATOM 1373 CD ARG A 96 2.177 -12.370 3.464 1.00 0.00 C ATOM 1374 NE ARG A 96 2.548 -11.969 4.819 1.00 0.00 N ATOM 1375 CZ ARG A 96 1.894 -11.048 5.518 1.00 0.00 C ATOM 1376 NH1 ARG A 96 0.841 -10.436 4.992 1.00 0.00 N ATOM 1377 NH2 ARG A 96 2.292 -10.737 6.745 1.00 0.00 N ATOM 0 H ARG A 96 1.232 -10.687 -0.053 1.00 0.00 H new ATOM 0 HA ARG A 96 3.988 -10.465 0.290 1.00 0.00 H new ATOM 0 HB2 ARG A 96 1.927 -12.608 0.828 1.00 0.00 H new ATOM 0 HB3 ARG A 96 3.623 -12.934 1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 96 3.764 -11.121 2.736 1.00 0.00 H new ATOM 0 HG3 ARG A 96 2.159 -10.554 2.320 1.00 0.00 H new ATOM 0 HD2 ARG A 96 1.091 -12.370 3.370 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.513 -13.391 3.283 1.00 0.00 H new ATOM 0 HE ARG A 96 3.353 -12.421 5.252 1.00 0.00 H new ATOM 0 HH11 ARG A 96 0.532 -10.672 4.049 1.00 0.00 H new ATOM 0 HH12 ARG A 96 0.340 -9.729 5.531 1.00 0.00 H new ATOM 0 HH21 ARG A 96 3.101 -11.205 7.153 1.00 0.00 H new ATOM 0 HH22 ARG A 96 1.789 -10.030 7.280 1.00 0.00 H new ATOM 1391 N PRO A 97 5.197 -11.709 -1.472 1.00 0.00 N ATOM 1392 CA PRO A 97 5.955 -12.384 -2.529 1.00 0.00 C ATOM 1393 C PRO A 97 6.236 -13.846 -2.197 1.00 0.00 C ATOM 1394 O PRO A 97 5.758 -14.367 -1.188 1.00 0.00 O ATOM 1395 CB PRO A 97 7.261 -11.590 -2.593 1.00 0.00 C ATOM 1396 CG PRO A 97 7.407 -10.992 -1.236 1.00 0.00 C ATOM 1397 CD PRO A 97 6.011 -10.714 -0.753 1.00 0.00 C ATOM 0 HA PRO A 97 5.408 -12.406 -3.472 1.00 0.00 H new ATOM 0 HB2 PRO A 97 8.105 -12.236 -2.834 1.00 0.00 H new ATOM 0 HB3 PRO A 97 7.219 -10.820 -3.363 1.00 0.00 H new ATOM 0 HG2 PRO A 97 7.924 -11.675 -0.562 1.00 0.00 H new ATOM 0 HG3 PRO A 97 7.996 -10.076 -1.275 1.00 0.00 H new ATOM 0 HD2 PRO A 97 5.929 -10.832 0.327 1.00 0.00 H new ATOM 0 HD3 PRO A 97 5.700 -9.696 -0.987 1.00 0.00 H new