USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 588 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 19 GLN : amide:sc=-0.00632 X(o=-0.0063,f=-0.44) USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0339 USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.342 USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 ASN : amide:sc= -6.49! C(o=-6.5!,f=-16!) USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.951 X(o=-0.95,f=-0.62) USER MOD Single : A 77 HIS : no HD1:sc= -2.14! K(o=-2.1!,f=0.15) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 HIS : no HE2:sc= 0.815 K(o=0.81,f=-4.9!) USER MOD Single : A 82 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 84 SER OG : rot 180:sc= -0.0494 USER MOD Single : A 91 SER OG : rot -113:sc= 1.4 USER MOD Single : A 92 CYS SG : rot 180:sc= -2.59 USER MOD Single : A 96 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.106 K(o=-0.11,f=-1.2) USER MOD ----------------------------------------------------------------- ATOM 80 N ALA A 9 -17.756 -0.355 6.641 1.00 0.00 N ATOM 81 CA ALA A 9 -17.813 -1.667 6.008 1.00 0.00 C ATOM 82 C ALA A 9 -17.072 -2.710 6.839 1.00 0.00 C ATOM 83 O ALA A 9 -16.540 -2.403 7.906 1.00 0.00 O ATOM 84 CB ALA A 9 -17.234 -1.601 4.603 1.00 0.00 C ATOM 0 HA ALA A 9 -18.859 -1.967 5.944 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -17.283 -2.588 4.143 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -17.808 -0.893 4.006 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -16.195 -1.275 4.653 1.00 0.00 H new ATOM 90 N ARG A 10 -17.043 -3.943 6.343 1.00 0.00 N ATOM 91 CA ARG A 10 -16.369 -5.031 7.041 1.00 0.00 C ATOM 92 C ARG A 10 -15.258 -5.624 6.180 1.00 0.00 C ATOM 93 O ARG A 10 -15.119 -5.282 5.005 1.00 0.00 O ATOM 94 CB ARG A 10 -17.373 -6.122 7.419 1.00 0.00 C ATOM 95 CG ARG A 10 -18.236 -5.767 8.619 1.00 0.00 C ATOM 96 CD ARG A 10 -19.152 -6.917 9.007 1.00 0.00 C ATOM 97 NE ARG A 10 -20.268 -7.065 8.077 1.00 0.00 N ATOM 98 CZ ARG A 10 -21.318 -7.846 8.307 1.00 0.00 C ATOM 99 NH1 ARG A 10 -21.394 -8.545 9.431 1.00 0.00 N ATOM 100 NH2 ARG A 10 -22.294 -7.928 7.413 1.00 0.00 N ATOM 0 H ARG A 10 -17.478 -4.213 5.461 1.00 0.00 H new ATOM 0 HA ARG A 10 -15.924 -4.625 7.949 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -18.019 -6.321 6.564 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -16.832 -7.044 7.631 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -17.598 -5.508 9.464 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -18.834 -4.885 8.390 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -18.579 -7.844 9.036 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -19.538 -6.750 10.013 1.00 0.00 H new ATOM 0 HE ARG A 10 -20.240 -6.540 7.203 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -20.645 -8.484 10.121 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -22.201 -9.144 9.606 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -22.239 -7.391 6.547 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -23.099 -8.528 7.591 1.00 0.00 H new ATOM 114 N LEU A 11 -14.468 -6.512 6.773 1.00 0.00 N ATOM 115 CA LEU A 11 -13.368 -7.153 6.060 1.00 0.00 C ATOM 116 C LEU A 11 -13.715 -8.595 5.705 1.00 0.00 C ATOM 117 O LEU A 11 -14.261 -9.333 6.525 1.00 0.00 O ATOM 118 CB LEU A 11 -12.096 -7.117 6.909 1.00 0.00 C ATOM 119 CG LEU A 11 -10.821 -7.617 6.228 1.00 0.00 C ATOM 120 CD1 LEU A 11 -10.483 -6.751 5.025 1.00 0.00 C ATOM 121 CD2 LEU A 11 -9.662 -7.638 7.215 1.00 0.00 C ATOM 0 H LEU A 11 -14.568 -6.805 7.745 1.00 0.00 H new ATOM 0 HA LEU A 11 -13.197 -6.602 5.135 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -11.931 -6.091 7.237 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -12.264 -7.715 7.805 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.994 -8.635 5.879 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.573 -7.122 4.554 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -11.304 -6.787 4.308 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -10.330 -5.722 5.349 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.763 -7.996 6.713 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -9.489 -6.631 7.594 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.903 -8.302 8.045 1.00 0.00 H new ATOM 133 N VAL A 12 -13.394 -8.990 4.477 1.00 0.00 N ATOM 134 CA VAL A 12 -13.669 -10.345 4.014 1.00 0.00 C ATOM 135 C VAL A 12 -12.377 -11.092 3.701 1.00 0.00 C ATOM 136 O VAL A 12 -12.243 -12.276 4.007 1.00 0.00 O ATOM 137 CB VAL A 12 -14.562 -10.339 2.759 1.00 0.00 C ATOM 138 CG1 VAL A 12 -16.027 -10.463 3.146 1.00 0.00 C ATOM 139 CG2 VAL A 12 -14.323 -9.078 1.942 1.00 0.00 C ATOM 0 H VAL A 12 -12.943 -8.391 3.785 1.00 0.00 H new ATOM 0 HA VAL A 12 -14.194 -10.855 4.822 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.300 -11.199 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -16.643 -10.457 2.247 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -16.183 -11.397 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -16.307 -9.624 3.783 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.962 -9.090 1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -14.557 -8.202 2.547 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.278 -9.037 1.633 1.00 0.00 H new ATOM 149 N ALA A 13 -11.428 -10.390 3.090 1.00 0.00 N ATOM 150 CA ALA A 13 -10.145 -10.986 2.737 1.00 0.00 C ATOM 151 C ALA A 13 -8.990 -10.062 3.109 1.00 0.00 C ATOM 152 O ALA A 13 -8.426 -9.382 2.252 1.00 0.00 O ATOM 153 CB ALA A 13 -10.105 -11.313 1.252 1.00 0.00 C ATOM 0 H ALA A 13 -11.523 -9.408 2.829 1.00 0.00 H new ATOM 0 HA ALA A 13 -10.034 -11.910 3.304 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -9.141 -11.757 1.003 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -10.902 -12.017 1.013 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.243 -10.399 0.674 1.00 0.00 H new ATOM 159 N GLY A 14 -8.643 -10.041 4.392 1.00 0.00 N ATOM 160 CA GLY A 14 -7.558 -9.196 4.854 1.00 0.00 C ATOM 161 C GLY A 14 -6.344 -9.265 3.949 1.00 0.00 C ATOM 162 O GLY A 14 -6.254 -10.136 3.083 1.00 0.00 O ATOM 0 H GLY A 14 -9.094 -10.595 5.120 1.00 0.00 H new ATOM 0 HA2 GLY A 14 -7.905 -8.164 4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -7.273 -9.495 5.863 1.00 0.00 H new ATOM 166 N LEU A 15 -5.408 -8.343 4.146 1.00 0.00 N ATOM 167 CA LEU A 15 -4.194 -8.300 3.339 1.00 0.00 C ATOM 168 C LEU A 15 -3.375 -9.575 3.521 1.00 0.00 C ATOM 169 O LEU A 15 -3.604 -10.343 4.454 1.00 0.00 O ATOM 170 CB LEU A 15 -3.350 -7.081 3.715 1.00 0.00 C ATOM 171 CG LEU A 15 -3.971 -5.717 3.412 1.00 0.00 C ATOM 172 CD1 LEU A 15 -3.488 -4.677 4.411 1.00 0.00 C ATOM 173 CD2 LEU A 15 -3.644 -5.285 1.990 1.00 0.00 C ATOM 0 H LEU A 15 -5.467 -7.615 4.858 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.486 -8.223 2.292 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.132 -7.130 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.396 -7.148 3.191 1.00 0.00 H new ATOM 0 HG LEU A 15 -5.054 -5.804 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.940 -3.713 4.180 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.774 -4.980 5.418 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.403 -4.592 4.352 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.094 -4.312 1.793 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.563 -5.215 1.870 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.040 -6.018 1.287 1.00 0.00 H new ATOM 185 N GLU A 16 -2.419 -9.790 2.623 1.00 0.00 N ATOM 186 CA GLU A 16 -1.565 -10.971 2.686 1.00 0.00 C ATOM 187 C GLU A 16 -0.091 -10.579 2.650 1.00 0.00 C ATOM 188 O GLU A 16 0.292 -9.623 1.975 1.00 0.00 O ATOM 189 CB GLU A 16 -1.880 -11.918 1.526 1.00 0.00 C ATOM 190 CG GLU A 16 -1.717 -11.279 0.157 1.00 0.00 C ATOM 191 CD GLU A 16 -1.669 -12.301 -0.962 1.00 0.00 C ATOM 192 OE1 GLU A 16 -1.314 -13.467 -0.687 1.00 0.00 O ATOM 193 OE2 GLU A 16 -1.988 -11.936 -2.113 1.00 0.00 O ATOM 0 H GLU A 16 -2.216 -9.163 1.844 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.765 -11.482 3.628 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -1.227 -12.789 1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -2.903 -12.278 1.630 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -2.544 -10.591 -0.019 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -0.802 -10.687 0.143 1.00 0.00 H new ATOM 200 N ASP A 17 0.731 -11.323 3.382 1.00 0.00 N ATOM 201 CA ASP A 17 2.163 -11.055 3.435 1.00 0.00 C ATOM 202 C ASP A 17 2.777 -11.102 2.039 1.00 0.00 C ATOM 203 O ASP A 17 2.480 -11.999 1.249 1.00 0.00 O ATOM 204 CB ASP A 17 2.860 -12.066 4.347 1.00 0.00 C ATOM 205 CG ASP A 17 2.239 -13.447 4.261 1.00 0.00 C ATOM 206 OD1 ASP A 17 1.131 -13.634 4.808 1.00 0.00 O ATOM 207 OD2 ASP A 17 2.859 -14.339 3.647 1.00 0.00 O ATOM 0 H ASP A 17 0.430 -12.117 3.947 1.00 0.00 H new ATOM 0 HA ASP A 17 2.305 -10.054 3.841 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.914 -12.127 4.078 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.814 -11.714 5.377 1.00 0.00 H new ATOM 212 N VAL A 18 3.633 -10.130 1.742 1.00 0.00 N ATOM 213 CA VAL A 18 4.289 -10.061 0.441 1.00 0.00 C ATOM 214 C VAL A 18 5.799 -9.917 0.594 1.00 0.00 C ATOM 215 O VAL A 18 6.278 -9.072 1.349 1.00 0.00 O ATOM 216 CB VAL A 18 3.754 -8.883 -0.395 1.00 0.00 C ATOM 217 CG1 VAL A 18 4.547 -8.740 -1.685 1.00 0.00 C ATOM 218 CG2 VAL A 18 2.273 -9.066 -0.687 1.00 0.00 C ATOM 0 H VAL A 18 3.889 -9.380 2.384 1.00 0.00 H new ATOM 0 HA VAL A 18 4.067 -10.995 -0.076 1.00 0.00 H new ATOM 0 HB VAL A 18 3.876 -7.966 0.182 1.00 0.00 H new ATOM 0 HG11 VAL A 18 4.155 -7.903 -2.262 1.00 0.00 H new ATOM 0 HG12 VAL A 18 5.596 -8.558 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 18 4.460 -9.656 -2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 18 1.912 -8.225 -1.278 1.00 0.00 H new ATOM 0 HG22 VAL A 18 2.123 -9.991 -1.243 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.720 -9.114 0.251 1.00 0.00 H new ATOM 228 N GLN A 19 6.543 -10.749 -0.128 1.00 0.00 N ATOM 229 CA GLN A 19 7.999 -10.714 -0.073 1.00 0.00 C ATOM 230 C GLN A 19 8.598 -10.706 -1.475 1.00 0.00 C ATOM 231 O GLN A 19 8.375 -11.626 -2.262 1.00 0.00 O ATOM 232 CB GLN A 19 8.529 -11.914 0.714 1.00 0.00 C ATOM 233 CG GLN A 19 8.778 -13.143 -0.146 1.00 0.00 C ATOM 234 CD GLN A 19 9.043 -14.388 0.678 1.00 0.00 C ATOM 235 OE1 GLN A 19 8.363 -14.646 1.671 1.00 0.00 O ATOM 236 NE2 GLN A 19 10.037 -15.168 0.269 1.00 0.00 N ATOM 0 H GLN A 19 6.161 -11.455 -0.757 1.00 0.00 H new ATOM 0 HA GLN A 19 8.296 -9.796 0.433 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.459 -11.632 1.208 1.00 0.00 H new ATOM 0 HB3 GLN A 19 7.816 -12.168 1.498 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.914 -13.314 -0.788 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.629 -12.957 -0.801 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.575 -14.916 -0.560 1.00 0.00 H new ATOM 0 HE22 GLN A 19 10.262 -16.019 0.784 1.00 0.00 H new ATOM 245 N VAL A 20 9.359 -9.661 -1.783 1.00 0.00 N ATOM 246 CA VAL A 20 9.991 -9.533 -3.091 1.00 0.00 C ATOM 247 C VAL A 20 11.424 -9.029 -2.962 1.00 0.00 C ATOM 248 O VAL A 20 11.783 -8.393 -1.970 1.00 0.00 O ATOM 249 CB VAL A 20 9.202 -8.576 -4.004 1.00 0.00 C ATOM 250 CG1 VAL A 20 7.810 -9.126 -4.277 1.00 0.00 C ATOM 251 CG2 VAL A 20 9.124 -7.190 -3.382 1.00 0.00 C ATOM 0 H VAL A 20 9.553 -8.890 -1.144 1.00 0.00 H new ATOM 0 HA VAL A 20 9.998 -10.527 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 20 9.727 -8.493 -4.955 1.00 0.00 H new ATOM 0 HG11 VAL A 20 7.267 -8.437 -4.924 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.892 -10.096 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 20 7.273 -9.240 -3.336 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.563 -6.527 -4.040 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.622 -7.252 -2.416 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.131 -6.796 -3.243 1.00 0.00 H new ATOM 261 N TYR A 21 12.239 -9.316 -3.971 1.00 0.00 N ATOM 262 CA TYR A 21 13.634 -8.893 -3.970 1.00 0.00 C ATOM 263 C TYR A 21 13.761 -7.431 -4.390 1.00 0.00 C ATOM 264 O TYR A 21 12.868 -6.879 -5.032 1.00 0.00 O ATOM 265 CB TYR A 21 14.457 -9.777 -4.909 1.00 0.00 C ATOM 266 CG TYR A 21 14.856 -11.102 -4.298 1.00 0.00 C ATOM 267 CD1 TYR A 21 13.904 -12.077 -4.023 1.00 0.00 C ATOM 268 CD2 TYR A 21 16.183 -11.378 -3.994 1.00 0.00 C ATOM 269 CE1 TYR A 21 14.263 -13.288 -3.464 1.00 0.00 C ATOM 270 CE2 TYR A 21 16.551 -12.587 -3.436 1.00 0.00 C ATOM 271 CZ TYR A 21 15.588 -13.539 -3.173 1.00 0.00 C ATOM 272 OH TYR A 21 15.951 -14.744 -2.617 1.00 0.00 O ATOM 0 H TYR A 21 11.958 -9.840 -4.800 1.00 0.00 H new ATOM 0 HA TYR A 21 14.017 -8.995 -2.955 1.00 0.00 H new ATOM 0 HB2 TYR A 21 13.882 -9.963 -5.816 1.00 0.00 H new ATOM 0 HB3 TYR A 21 15.356 -9.238 -5.207 1.00 0.00 H new ATOM 0 HD1 TYR A 21 12.866 -11.884 -4.250 1.00 0.00 H new ATOM 0 HD2 TYR A 21 16.940 -10.635 -4.197 1.00 0.00 H new ATOM 0 HE1 TYR A 21 13.511 -14.034 -3.256 1.00 0.00 H new ATOM 0 HE2 TYR A 21 17.588 -12.786 -3.207 1.00 0.00 H new ATOM 0 HH TYR A 21 16.921 -14.760 -2.475 1.00 0.00 H new ATOM 282 N ASP A 22 14.877 -6.812 -4.022 1.00 0.00 N ATOM 283 CA ASP A 22 15.123 -5.415 -4.360 1.00 0.00 C ATOM 284 C ASP A 22 14.838 -5.155 -5.836 1.00 0.00 C ATOM 285 O ASP A 22 15.094 -6.005 -6.687 1.00 0.00 O ATOM 286 CB ASP A 22 16.569 -5.036 -4.033 1.00 0.00 C ATOM 287 CG ASP A 22 17.094 -3.930 -4.927 1.00 0.00 C ATOM 288 OD1 ASP A 22 16.908 -2.746 -4.577 1.00 0.00 O ATOM 289 OD2 ASP A 22 17.691 -4.249 -5.976 1.00 0.00 O ATOM 0 H ASP A 22 15.626 -7.255 -3.490 1.00 0.00 H new ATOM 0 HA ASP A 22 14.450 -4.799 -3.764 1.00 0.00 H new ATOM 0 HB2 ASP A 22 16.632 -4.718 -2.992 1.00 0.00 H new ATOM 0 HB3 ASP A 22 17.204 -5.916 -4.137 1.00 0.00 H new ATOM 294 N GLY A 23 14.304 -3.973 -6.131 1.00 0.00 N ATOM 295 CA GLY A 23 13.991 -3.623 -7.504 1.00 0.00 C ATOM 296 C GLY A 23 12.652 -4.174 -7.952 1.00 0.00 C ATOM 297 O GLY A 23 11.961 -3.559 -8.763 1.00 0.00 O ATOM 0 H GLY A 23 14.083 -3.252 -5.444 1.00 0.00 H new ATOM 0 HA2 GLY A 23 13.987 -2.538 -7.607 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.774 -4.002 -8.160 1.00 0.00 H new ATOM 301 N GLU A 24 12.286 -5.338 -7.424 1.00 0.00 N ATOM 302 CA GLU A 24 11.022 -5.972 -7.778 1.00 0.00 C ATOM 303 C GLU A 24 9.846 -5.046 -7.479 1.00 0.00 C ATOM 304 O GLU A 24 10.033 -3.898 -7.077 1.00 0.00 O ATOM 305 CB GLU A 24 10.855 -7.289 -7.015 1.00 0.00 C ATOM 306 CG GLU A 24 11.929 -8.316 -7.333 1.00 0.00 C ATOM 307 CD GLU A 24 12.083 -8.558 -8.822 1.00 0.00 C ATOM 308 OE1 GLU A 24 12.741 -7.735 -9.492 1.00 0.00 O ATOM 309 OE2 GLU A 24 11.544 -9.570 -9.317 1.00 0.00 O ATOM 0 H GLU A 24 12.846 -5.860 -6.750 1.00 0.00 H new ATOM 0 HA GLU A 24 11.036 -6.179 -8.848 1.00 0.00 H new ATOM 0 HB2 GLU A 24 10.866 -7.083 -5.945 1.00 0.00 H new ATOM 0 HB3 GLU A 24 9.878 -7.713 -7.248 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.881 -7.979 -6.923 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.684 -9.257 -6.839 1.00 0.00 H new ATOM 316 N ASP A 25 8.635 -5.555 -7.679 1.00 0.00 N ATOM 317 CA ASP A 25 7.428 -4.775 -7.430 1.00 0.00 C ATOM 318 C ASP A 25 6.516 -5.486 -6.436 1.00 0.00 C ATOM 319 O ASP A 25 6.008 -6.572 -6.712 1.00 0.00 O ATOM 320 CB ASP A 25 6.679 -4.524 -8.740 1.00 0.00 C ATOM 321 CG ASP A 25 7.610 -4.167 -9.881 1.00 0.00 C ATOM 322 OD1 ASP A 25 8.704 -3.631 -9.608 1.00 0.00 O ATOM 323 OD2 ASP A 25 7.245 -4.422 -11.048 1.00 0.00 O ATOM 0 H ASP A 25 8.463 -6.503 -8.013 1.00 0.00 H new ATOM 0 HA ASP A 25 7.725 -3.818 -7.001 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.109 -5.414 -9.005 1.00 0.00 H new ATOM 0 HB3 ASP A 25 5.961 -3.717 -8.595 1.00 0.00 H new ATOM 328 N ALA A 26 6.315 -4.867 -5.277 1.00 0.00 N ATOM 329 CA ALA A 26 5.464 -5.440 -4.242 1.00 0.00 C ATOM 330 C ALA A 26 4.063 -4.841 -4.290 1.00 0.00 C ATOM 331 O ALA A 26 3.895 -3.623 -4.235 1.00 0.00 O ATOM 332 CB ALA A 26 6.085 -5.226 -2.870 1.00 0.00 C ATOM 0 H ALA A 26 6.730 -3.968 -5.032 1.00 0.00 H new ATOM 0 HA ALA A 26 5.379 -6.511 -4.427 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.439 -5.659 -2.107 1.00 0.00 H new ATOM 0 HB2 ALA A 26 7.062 -5.707 -2.834 1.00 0.00 H new ATOM 0 HB3 ALA A 26 6.200 -4.158 -2.685 1.00 0.00 H new ATOM 338 N VAL A 27 3.058 -5.706 -4.392 1.00 0.00 N ATOM 339 CA VAL A 27 1.670 -5.262 -4.447 1.00 0.00 C ATOM 340 C VAL A 27 0.824 -5.975 -3.398 1.00 0.00 C ATOM 341 O VAL A 27 1.069 -7.137 -3.072 1.00 0.00 O ATOM 342 CB VAL A 27 1.057 -5.507 -5.838 1.00 0.00 C ATOM 343 CG1 VAL A 27 1.674 -6.738 -6.485 1.00 0.00 C ATOM 344 CG2 VAL A 27 -0.454 -5.650 -5.737 1.00 0.00 C ATOM 0 H VAL A 27 3.179 -6.718 -4.438 1.00 0.00 H new ATOM 0 HA VAL A 27 1.671 -4.191 -4.243 1.00 0.00 H new ATOM 0 HB VAL A 27 1.277 -4.645 -6.469 1.00 0.00 H new ATOM 0 HG11 VAL A 27 1.228 -6.895 -7.467 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.749 -6.592 -6.593 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.488 -7.610 -5.858 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -0.870 -5.823 -6.729 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.697 -6.493 -5.090 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.879 -4.737 -5.319 1.00 0.00 H new ATOM 354 N PHE A 28 -0.174 -5.271 -2.873 1.00 0.00 N ATOM 355 CA PHE A 28 -1.057 -5.836 -1.860 1.00 0.00 C ATOM 356 C PHE A 28 -2.518 -5.720 -2.286 1.00 0.00 C ATOM 357 O PHE A 28 -2.901 -4.775 -2.976 1.00 0.00 O ATOM 358 CB PHE A 28 -0.848 -5.130 -0.519 1.00 0.00 C ATOM 359 CG PHE A 28 0.455 -5.478 0.144 1.00 0.00 C ATOM 360 CD1 PHE A 28 0.582 -6.643 0.883 1.00 0.00 C ATOM 361 CD2 PHE A 28 1.551 -4.638 0.030 1.00 0.00 C ATOM 362 CE1 PHE A 28 1.779 -6.966 1.494 1.00 0.00 C ATOM 363 CE2 PHE A 28 2.751 -4.956 0.638 1.00 0.00 C ATOM 364 CZ PHE A 28 2.865 -6.121 1.372 1.00 0.00 C ATOM 0 H PHE A 28 -0.391 -4.309 -3.133 1.00 0.00 H new ATOM 0 HA PHE A 28 -0.812 -6.892 -1.749 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -0.891 -4.052 -0.674 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -1.668 -5.389 0.151 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -0.264 -7.307 0.983 1.00 0.00 H new ATOM 0 HD2 PHE A 28 1.467 -3.725 -0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 28 1.865 -7.878 2.066 1.00 0.00 H new ATOM 0 HE2 PHE A 28 3.599 -4.294 0.539 1.00 0.00 H new ATOM 0 HZ PHE A 28 3.801 -6.370 1.849 1.00 0.00 H new ATOM 374 N SER A 29 -3.329 -6.687 -1.869 1.00 0.00 N ATOM 375 CA SER A 29 -4.747 -6.696 -2.210 1.00 0.00 C ATOM 376 C SER A 29 -5.593 -7.092 -1.004 1.00 0.00 C ATOM 377 O SER A 29 -5.129 -7.802 -0.111 1.00 0.00 O ATOM 378 CB SER A 29 -5.008 -7.659 -3.369 1.00 0.00 C ATOM 379 OG SER A 29 -6.356 -8.095 -3.377 1.00 0.00 O ATOM 0 H SER A 29 -3.028 -7.474 -1.294 1.00 0.00 H new ATOM 0 HA SER A 29 -5.029 -5.688 -2.514 1.00 0.00 H new ATOM 0 HB2 SER A 29 -4.776 -7.167 -4.314 1.00 0.00 H new ATOM 0 HB3 SER A 29 -4.345 -8.520 -3.287 1.00 0.00 H new ATOM 0 HG SER A 29 -6.497 -8.708 -4.128 1.00 0.00 H new ATOM 385 N LEU A 30 -6.838 -6.629 -0.985 1.00 0.00 N ATOM 386 CA LEU A 30 -7.751 -6.934 0.110 1.00 0.00 C ATOM 387 C LEU A 30 -9.202 -6.738 -0.319 1.00 0.00 C ATOM 388 O LEU A 30 -9.517 -5.818 -1.074 1.00 0.00 O ATOM 389 CB LEU A 30 -7.442 -6.049 1.320 1.00 0.00 C ATOM 390 CG LEU A 30 -7.750 -4.560 1.158 1.00 0.00 C ATOM 391 CD1 LEU A 30 -9.169 -4.256 1.614 1.00 0.00 C ATOM 392 CD2 LEU A 30 -6.747 -3.721 1.936 1.00 0.00 C ATOM 0 H LEU A 30 -7.238 -6.041 -1.716 1.00 0.00 H new ATOM 0 HA LEU A 30 -7.611 -7.979 0.386 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -8.006 -6.425 2.174 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.385 -6.157 1.563 1.00 0.00 H new ATOM 0 HG LEU A 30 -7.667 -4.304 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -9.370 -3.192 1.491 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.875 -4.830 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.280 -4.528 2.664 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -6.981 -2.664 1.810 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.799 -3.980 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.742 -3.917 1.563 1.00 0.00 H new ATOM 404 N ASP A 31 -10.080 -7.609 0.167 1.00 0.00 N ATOM 405 CA ASP A 31 -11.498 -7.530 -0.164 1.00 0.00 C ATOM 406 C ASP A 31 -12.298 -6.963 1.005 1.00 0.00 C ATOM 407 O ASP A 31 -11.849 -6.993 2.151 1.00 0.00 O ATOM 408 CB ASP A 31 -12.033 -8.912 -0.542 1.00 0.00 C ATOM 409 CG ASP A 31 -11.434 -9.431 -1.835 1.00 0.00 C ATOM 410 OD1 ASP A 31 -10.242 -9.803 -1.828 1.00 0.00 O ATOM 411 OD2 ASP A 31 -12.157 -9.464 -2.853 1.00 0.00 O ATOM 0 H ASP A 31 -9.835 -8.377 0.791 1.00 0.00 H new ATOM 0 HA ASP A 31 -11.610 -6.860 -1.016 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -11.817 -9.615 0.263 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -13.117 -8.864 -0.641 1.00 0.00 H new ATOM 416 N LEU A 32 -13.485 -6.447 0.707 1.00 0.00 N ATOM 417 CA LEU A 32 -14.349 -5.872 1.733 1.00 0.00 C ATOM 418 C LEU A 32 -15.792 -6.331 1.550 1.00 0.00 C ATOM 419 O LEU A 32 -16.102 -7.085 0.627 1.00 0.00 O ATOM 420 CB LEU A 32 -14.278 -4.345 1.689 1.00 0.00 C ATOM 421 CG LEU A 32 -12.880 -3.734 1.796 1.00 0.00 C ATOM 422 CD1 LEU A 32 -12.956 -2.216 1.746 1.00 0.00 C ATOM 423 CD2 LEU A 32 -12.194 -4.193 3.074 1.00 0.00 C ATOM 0 H LEU A 32 -13.872 -6.415 -0.236 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.998 -6.218 2.705 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -14.730 -4.007 0.756 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.889 -3.949 2.501 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.289 -4.076 0.947 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.952 -1.799 1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -13.406 -1.905 0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.564 -1.855 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.201 -3.749 3.133 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.784 -3.880 3.936 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.106 -5.279 3.070 1.00 0.00 H new ATOM 435 N SER A 33 -16.670 -5.870 2.434 1.00 0.00 N ATOM 436 CA SER A 33 -18.081 -6.235 2.371 1.00 0.00 C ATOM 437 C SER A 33 -18.848 -5.282 1.460 1.00 0.00 C ATOM 438 O SER A 33 -19.803 -5.678 0.790 1.00 0.00 O ATOM 439 CB SER A 33 -18.695 -6.224 3.772 1.00 0.00 C ATOM 440 OG SER A 33 -20.050 -6.639 3.739 1.00 0.00 O ATOM 0 H SER A 33 -16.430 -5.243 3.202 1.00 0.00 H new ATOM 0 HA SER A 33 -18.153 -7.241 1.958 1.00 0.00 H new ATOM 0 HB2 SER A 33 -18.125 -6.883 4.427 1.00 0.00 H new ATOM 0 HB3 SER A 33 -18.629 -5.221 4.193 1.00 0.00 H new ATOM 0 HG SER A 33 -20.419 -6.625 4.647 1.00 0.00 H new ATOM 446 N THR A 34 -18.424 -4.023 1.439 1.00 0.00 N ATOM 447 CA THR A 34 -19.070 -3.012 0.611 1.00 0.00 C ATOM 448 C THR A 34 -18.135 -1.837 0.348 1.00 0.00 C ATOM 449 O THR A 34 -17.032 -1.776 0.891 1.00 0.00 O ATOM 450 CB THR A 34 -20.361 -2.489 1.269 1.00 0.00 C ATOM 451 OG1 THR A 34 -20.935 -1.452 0.465 1.00 0.00 O ATOM 452 CG2 THR A 34 -20.080 -1.958 2.666 1.00 0.00 C ATOM 0 H THR A 34 -17.635 -3.678 1.986 1.00 0.00 H new ATOM 0 HA THR A 34 -19.321 -3.491 -0.335 1.00 0.00 H new ATOM 0 HB THR A 34 -21.064 -3.318 1.348 1.00 0.00 H new ATOM 0 HG1 THR A 34 -21.756 -1.126 0.889 1.00 0.00 H new ATOM 0 HG21 THR A 34 -21.007 -1.594 3.110 1.00 0.00 H new ATOM 0 HG22 THR A 34 -19.671 -2.757 3.284 1.00 0.00 H new ATOM 0 HG23 THR A 34 -19.361 -1.141 2.607 1.00 0.00 H new ATOM 460 N ILE A 35 -18.584 -0.905 -0.486 1.00 0.00 N ATOM 461 CA ILE A 35 -17.787 0.269 -0.819 1.00 0.00 C ATOM 462 C ILE A 35 -17.487 1.100 0.424 1.00 0.00 C ATOM 463 O ILE A 35 -18.350 1.286 1.282 1.00 0.00 O ATOM 464 CB ILE A 35 -18.500 1.157 -1.856 1.00 0.00 C ATOM 465 CG1 ILE A 35 -18.767 0.367 -3.139 1.00 0.00 C ATOM 466 CG2 ILE A 35 -17.668 2.396 -2.154 1.00 0.00 C ATOM 467 CD1 ILE A 35 -20.024 0.797 -3.862 1.00 0.00 C ATOM 0 H ILE A 35 -19.495 -0.940 -0.943 1.00 0.00 H new ATOM 0 HA ILE A 35 -16.852 -0.094 -1.245 1.00 0.00 H new ATOM 0 HB ILE A 35 -19.457 1.476 -1.442 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -17.915 0.480 -3.810 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -18.842 -0.693 -2.895 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -18.185 3.013 -2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -17.524 2.967 -1.237 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -16.698 2.096 -2.551 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -20.150 0.195 -4.762 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -20.885 0.658 -3.208 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -19.944 1.849 -4.138 1.00 0.00 H new ATOM 479 N ILE A 36 -16.258 1.598 0.513 1.00 0.00 N ATOM 480 CA ILE A 36 -15.845 2.411 1.650 1.00 0.00 C ATOM 481 C ILE A 36 -14.589 3.213 1.324 1.00 0.00 C ATOM 482 O ILE A 36 -13.717 2.747 0.592 1.00 0.00 O ATOM 483 CB ILE A 36 -15.579 1.545 2.895 1.00 0.00 C ATOM 484 CG1 ILE A 36 -15.477 2.424 4.143 1.00 0.00 C ATOM 485 CG2 ILE A 36 -14.308 0.729 2.711 1.00 0.00 C ATOM 486 CD1 ILE A 36 -15.663 1.662 5.436 1.00 0.00 C ATOM 0 H ILE A 36 -15.532 1.453 -0.188 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.666 3.096 1.863 1.00 0.00 H new ATOM 0 HB ILE A 36 -16.414 0.857 3.025 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -14.502 2.912 4.155 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -16.227 3.213 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.133 0.122 3.599 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -14.416 0.079 1.843 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -13.463 1.401 2.559 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -15.578 2.348 6.278 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -16.649 1.196 5.445 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -14.897 0.891 5.517 1.00 0.00 H new ATOM 498 N GLN A 37 -14.505 4.420 1.875 1.00 0.00 N ATOM 499 CA GLN A 37 -13.355 5.286 1.644 1.00 0.00 C ATOM 500 C GLN A 37 -12.351 5.174 2.787 1.00 0.00 C ATOM 501 O GLN A 37 -12.519 5.793 3.836 1.00 0.00 O ATOM 502 CB GLN A 37 -13.807 6.738 1.487 1.00 0.00 C ATOM 503 CG GLN A 37 -12.716 7.663 0.970 1.00 0.00 C ATOM 504 CD GLN A 37 -13.260 8.990 0.479 1.00 0.00 C ATOM 505 OE1 GLN A 37 -13.758 9.093 -0.642 1.00 0.00 O ATOM 506 NE2 GLN A 37 -13.167 10.015 1.319 1.00 0.00 N ATOM 0 H GLN A 37 -15.219 4.820 2.484 1.00 0.00 H new ATOM 0 HA GLN A 37 -12.868 4.963 0.724 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -14.656 6.774 0.804 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -14.158 7.107 2.451 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -11.991 7.843 1.764 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -12.182 7.170 0.157 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -12.746 9.884 2.239 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -13.516 10.933 1.044 1.00 0.00 H new ATOM 515 N GLY A 38 -11.306 4.379 2.575 1.00 0.00 N ATOM 516 CA GLY A 38 -10.290 4.201 3.596 1.00 0.00 C ATOM 517 C GLY A 38 -8.972 4.848 3.222 1.00 0.00 C ATOM 518 O GLY A 38 -8.906 5.647 2.287 1.00 0.00 O ATOM 0 H GLY A 38 -11.145 3.855 1.715 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.645 4.625 4.535 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -10.133 3.136 3.766 1.00 0.00 H new ATOM 522 N THR A 39 -7.917 4.505 3.956 1.00 0.00 N ATOM 523 CA THR A 39 -6.594 5.060 3.698 1.00 0.00 C ATOM 524 C THR A 39 -5.515 3.992 3.828 1.00 0.00 C ATOM 525 O THR A 39 -5.608 3.102 4.673 1.00 0.00 O ATOM 526 CB THR A 39 -6.274 6.218 4.662 1.00 0.00 C ATOM 527 OG1 THR A 39 -7.180 7.304 4.442 1.00 0.00 O ATOM 528 CG2 THR A 39 -4.843 6.699 4.473 1.00 0.00 C ATOM 0 H THR A 39 -7.954 3.846 4.733 1.00 0.00 H new ATOM 0 HA THR A 39 -6.604 5.439 2.676 1.00 0.00 H new ATOM 0 HB THR A 39 -6.387 5.853 5.683 1.00 0.00 H new ATOM 0 HG1 THR A 39 -6.970 8.035 5.060 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.640 7.517 5.164 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.154 5.878 4.670 1.00 0.00 H new ATOM 0 HG23 THR A 39 -4.709 7.047 3.449 1.00 0.00 H new ATOM 536 N TRP A 40 -4.492 4.086 2.987 1.00 0.00 N ATOM 537 CA TRP A 40 -3.393 3.127 3.008 1.00 0.00 C ATOM 538 C TRP A 40 -2.260 3.617 3.903 1.00 0.00 C ATOM 539 O TRP A 40 -1.971 4.812 3.956 1.00 0.00 O ATOM 540 CB TRP A 40 -2.872 2.885 1.591 1.00 0.00 C ATOM 541 CG TRP A 40 -3.670 1.870 0.830 1.00 0.00 C ATOM 542 CD1 TRP A 40 -4.690 2.118 -0.044 1.00 0.00 C ATOM 543 CD2 TRP A 40 -3.515 0.448 0.876 1.00 0.00 C ATOM 544 NE1 TRP A 40 -5.179 0.935 -0.544 1.00 0.00 N ATOM 545 CE2 TRP A 40 -4.474 -0.105 0.005 1.00 0.00 C ATOM 546 CE3 TRP A 40 -2.659 -0.413 1.568 1.00 0.00 C ATOM 547 CZ2 TRP A 40 -4.599 -1.477 -0.191 1.00 0.00 C ATOM 548 CZ3 TRP A 40 -2.784 -1.776 1.373 1.00 0.00 C ATOM 549 CH2 TRP A 40 -3.748 -2.297 0.499 1.00 0.00 C ATOM 0 H TRP A 40 -4.400 4.817 2.281 1.00 0.00 H new ATOM 0 HA TRP A 40 -3.771 2.188 3.413 1.00 0.00 H new ATOM 0 HB2 TRP A 40 -2.879 3.827 1.043 1.00 0.00 H new ATOM 0 HB3 TRP A 40 -1.834 2.555 1.644 1.00 0.00 H new ATOM 0 HD1 TRP A 40 -5.058 3.100 -0.304 1.00 0.00 H new ATOM 0 HE1 TRP A 40 -5.942 0.845 -1.215 1.00 0.00 H new ATOM 0 HE3 TRP A 40 -1.913 -0.021 2.243 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 -5.341 -1.880 -0.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 -2.128 -2.451 1.903 1.00 0.00 H new ATOM 0 HH2 TRP A 40 -3.821 -3.367 0.368 1.00 0.00 H new ATOM 560 N PHE A 41 -1.622 2.686 4.606 1.00 0.00 N ATOM 561 CA PHE A 41 -0.521 3.025 5.500 1.00 0.00 C ATOM 562 C PHE A 41 0.761 2.313 5.076 1.00 0.00 C ATOM 563 O PHE A 41 0.719 1.278 4.410 1.00 0.00 O ATOM 564 CB PHE A 41 -0.873 2.651 6.941 1.00 0.00 C ATOM 565 CG PHE A 41 -1.584 3.744 7.687 1.00 0.00 C ATOM 566 CD1 PHE A 41 -2.843 4.165 7.291 1.00 0.00 C ATOM 567 CD2 PHE A 41 -0.993 4.350 8.784 1.00 0.00 C ATOM 568 CE1 PHE A 41 -3.499 5.171 7.975 1.00 0.00 C ATOM 569 CE2 PHE A 41 -1.645 5.356 9.472 1.00 0.00 C ATOM 570 CZ PHE A 41 -2.900 5.766 9.068 1.00 0.00 C ATOM 0 H PHE A 41 -1.849 1.692 4.574 1.00 0.00 H new ATOM 0 HA PHE A 41 -0.355 4.101 5.442 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -1.500 1.759 6.934 1.00 0.00 H new ATOM 0 HB3 PHE A 41 0.042 2.393 7.475 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -3.317 3.702 6.438 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -0.012 4.033 9.105 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -4.479 5.492 7.655 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.173 5.821 10.325 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.412 6.550 9.606 1.00 0.00 H new ATOM 580 N LEU A 42 1.899 2.876 5.467 1.00 0.00 N ATOM 581 CA LEU A 42 3.195 2.297 5.129 1.00 0.00 C ATOM 582 C LEU A 42 4.168 2.419 6.297 1.00 0.00 C ATOM 583 O LEU A 42 4.588 3.518 6.655 1.00 0.00 O ATOM 584 CB LEU A 42 3.776 2.985 3.892 1.00 0.00 C ATOM 585 CG LEU A 42 5.233 2.658 3.565 1.00 0.00 C ATOM 586 CD1 LEU A 42 5.318 1.428 2.676 1.00 0.00 C ATOM 587 CD2 LEU A 42 5.910 3.848 2.899 1.00 0.00 C ATOM 0 H LEU A 42 1.951 3.733 6.018 1.00 0.00 H new ATOM 0 HA LEU A 42 3.047 1.239 4.913 1.00 0.00 H new ATOM 0 HB2 LEU A 42 3.163 2.719 3.031 1.00 0.00 H new ATOM 0 HB3 LEU A 42 3.688 4.063 4.025 1.00 0.00 H new ATOM 0 HG LEU A 42 5.755 2.443 4.497 1.00 0.00 H new ATOM 0 HD11 LEU A 42 6.363 1.211 2.454 1.00 0.00 H new ATOM 0 HD12 LEU A 42 4.872 0.576 3.189 1.00 0.00 H new ATOM 0 HD13 LEU A 42 4.780 1.613 1.746 1.00 0.00 H new ATOM 0 HD21 LEU A 42 6.947 3.597 2.673 1.00 0.00 H new ATOM 0 HD22 LEU A 42 5.387 4.094 1.975 1.00 0.00 H new ATOM 0 HD23 LEU A 42 5.882 4.706 3.571 1.00 0.00 H new ATOM 599 N ASN A 43 4.523 1.281 6.886 1.00 0.00 N ATOM 600 CA ASN A 43 5.448 1.261 8.013 1.00 0.00 C ATOM 601 C ASN A 43 4.929 2.123 9.159 1.00 0.00 C ATOM 602 O ASN A 43 5.664 2.932 9.725 1.00 0.00 O ATOM 603 CB ASN A 43 6.829 1.753 7.575 1.00 0.00 C ATOM 604 CG ASN A 43 7.348 1.011 6.359 1.00 0.00 C ATOM 605 OD1 ASN A 43 6.572 0.543 5.525 1.00 0.00 O ATOM 606 ND2 ASN A 43 8.667 0.899 6.252 1.00 0.00 N ATOM 0 H ASN A 43 4.184 0.362 6.602 1.00 0.00 H new ATOM 0 HA ASN A 43 5.530 0.233 8.364 1.00 0.00 H new ATOM 0 HB2 ASN A 43 6.778 2.819 7.353 1.00 0.00 H new ATOM 0 HB3 ASN A 43 7.533 1.632 8.399 1.00 0.00 H new ATOM 0 HD21 ASN A 43 9.074 0.410 5.455 1.00 0.00 H new ATOM 0 HD22 ASN A 43 9.273 1.302 6.967 1.00 0.00 H new ATOM 613 N GLY A 44 3.655 1.945 9.498 1.00 0.00 N ATOM 614 CA GLY A 44 3.059 2.713 10.575 1.00 0.00 C ATOM 615 C GLY A 44 2.593 4.082 10.121 1.00 0.00 C ATOM 616 O GLY A 44 1.603 4.607 10.630 1.00 0.00 O ATOM 0 H GLY A 44 3.025 1.282 9.045 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.213 2.162 10.985 1.00 0.00 H new ATOM 0 HA3 GLY A 44 3.785 2.828 11.380 1.00 0.00 H new ATOM 620 N GLU A 45 3.309 4.662 9.163 1.00 0.00 N ATOM 621 CA GLU A 45 2.963 5.980 8.644 1.00 0.00 C ATOM 622 C GLU A 45 1.767 5.897 7.700 1.00 0.00 C ATOM 623 O GLU A 45 1.336 4.807 7.323 1.00 0.00 O ATOM 624 CB GLU A 45 4.159 6.595 7.915 1.00 0.00 C ATOM 625 CG GLU A 45 5.086 7.385 8.824 1.00 0.00 C ATOM 626 CD GLU A 45 6.316 7.898 8.100 1.00 0.00 C ATOM 627 OE1 GLU A 45 6.170 8.790 7.239 1.00 0.00 O ATOM 628 OE2 GLU A 45 7.425 7.406 8.396 1.00 0.00 O ATOM 0 H GLU A 45 4.131 4.241 8.731 1.00 0.00 H new ATOM 0 HA GLU A 45 2.694 6.615 9.488 1.00 0.00 H new ATOM 0 HB2 GLU A 45 4.728 5.800 7.433 1.00 0.00 H new ATOM 0 HB3 GLU A 45 3.794 7.250 7.124 1.00 0.00 H new ATOM 0 HG2 GLU A 45 4.541 8.228 9.248 1.00 0.00 H new ATOM 0 HG3 GLU A 45 5.396 6.754 9.657 1.00 0.00 H new ATOM 635 N GLU A 46 1.234 7.056 7.325 1.00 0.00 N ATOM 636 CA GLU A 46 0.087 7.113 6.427 1.00 0.00 C ATOM 637 C GLU A 46 0.512 7.548 5.028 1.00 0.00 C ATOM 638 O GLU A 46 1.441 8.341 4.867 1.00 0.00 O ATOM 639 CB GLU A 46 -0.969 8.077 6.974 1.00 0.00 C ATOM 640 CG GLU A 46 -2.202 8.191 6.094 1.00 0.00 C ATOM 641 CD GLU A 46 -2.907 9.525 6.247 1.00 0.00 C ATOM 642 OE1 GLU A 46 -3.604 9.714 7.266 1.00 0.00 O ATOM 643 OE2 GLU A 46 -2.761 10.380 5.349 1.00 0.00 O ATOM 0 H GLU A 46 1.578 7.967 7.629 1.00 0.00 H new ATOM 0 HA GLU A 46 -0.342 6.113 6.363 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -1.271 7.746 7.968 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -0.522 9.065 7.089 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -1.914 8.054 5.052 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -2.896 7.387 6.341 1.00 0.00 H new ATOM 650 N LEU A 47 -0.172 7.022 4.018 1.00 0.00 N ATOM 651 CA LEU A 47 0.134 7.355 2.631 1.00 0.00 C ATOM 652 C LEU A 47 -0.840 8.398 2.093 1.00 0.00 C ATOM 653 O LEU A 47 -1.976 8.501 2.558 1.00 0.00 O ATOM 654 CB LEU A 47 0.083 6.097 1.761 1.00 0.00 C ATOM 655 CG LEU A 47 1.234 5.107 1.946 1.00 0.00 C ATOM 656 CD1 LEU A 47 0.863 3.745 1.379 1.00 0.00 C ATOM 657 CD2 LEU A 47 2.501 5.633 1.289 1.00 0.00 C ATOM 0 H LEU A 47 -0.942 6.363 4.133 1.00 0.00 H new ATOM 0 HA LEU A 47 1.140 7.773 2.597 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -0.853 5.577 1.963 1.00 0.00 H new ATOM 0 HB3 LEU A 47 0.058 6.403 0.715 1.00 0.00 H new ATOM 0 HG LEU A 47 1.423 4.994 3.014 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.694 3.054 1.520 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -0.018 3.364 1.896 1.00 0.00 H new ATOM 0 HD13 LEU A 47 0.647 3.841 0.315 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.309 4.916 1.431 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.326 5.776 0.223 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.777 6.585 1.742 1.00 0.00 H new ATOM 910 N ARG A 64 0.834 2.456 -7.341 1.00 0.00 N ATOM 911 CA ARG A 64 -0.471 2.543 -7.985 1.00 0.00 C ATOM 912 C ARG A 64 -1.584 2.170 -7.010 1.00 0.00 C ATOM 913 O ARG A 64 -1.629 1.049 -6.504 1.00 0.00 O ATOM 914 CB ARG A 64 -0.521 1.625 -9.208 1.00 0.00 C ATOM 915 CG ARG A 64 -1.832 1.702 -9.973 1.00 0.00 C ATOM 916 CD ARG A 64 -1.687 1.152 -11.383 1.00 0.00 C ATOM 917 NE ARG A 64 -0.920 2.048 -12.244 1.00 0.00 N ATOM 918 CZ ARG A 64 -1.455 3.066 -12.909 1.00 0.00 C ATOM 919 NH1 ARG A 64 -2.754 3.316 -12.811 1.00 0.00 N ATOM 920 NH2 ARG A 64 -0.691 3.837 -13.673 1.00 0.00 N ATOM 0 HA ARG A 64 -0.623 3.574 -8.306 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.298 1.883 -9.880 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.357 0.596 -8.887 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -2.599 1.141 -9.440 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -2.168 2.738 -10.018 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -1.197 0.179 -11.344 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -2.676 0.994 -11.814 1.00 0.00 H new ATOM 0 HE ARG A 64 0.082 1.883 -12.340 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -3.344 2.726 -12.224 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -3.163 4.098 -13.322 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.308 3.648 -13.750 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -1.103 4.618 -14.183 1.00 0.00 H new ATOM 934 N ILE A 65 -2.478 3.118 -6.752 1.00 0.00 N ATOM 935 CA ILE A 65 -3.591 2.889 -5.838 1.00 0.00 C ATOM 936 C ILE A 65 -4.924 2.909 -6.579 1.00 0.00 C ATOM 937 O ILE A 65 -5.384 3.961 -7.021 1.00 0.00 O ATOM 938 CB ILE A 65 -3.625 3.944 -4.717 1.00 0.00 C ATOM 939 CG1 ILE A 65 -2.360 3.852 -3.861 1.00 0.00 C ATOM 940 CG2 ILE A 65 -4.867 3.763 -3.857 1.00 0.00 C ATOM 941 CD1 ILE A 65 -2.231 4.969 -2.850 1.00 0.00 C ATOM 0 H ILE A 65 -2.454 4.051 -7.162 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.438 1.905 -5.395 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.662 4.934 -5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -2.355 2.896 -3.337 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.488 3.862 -4.514 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -4.877 4.516 -3.069 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.757 3.874 -4.476 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -4.858 2.769 -3.409 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -1.311 4.839 -2.279 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.204 5.928 -3.368 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -3.085 4.947 -2.172 1.00 0.00 H new ATOM 953 N GLU A 66 -5.539 1.738 -6.710 1.00 0.00 N ATOM 954 CA GLU A 66 -6.820 1.621 -7.397 1.00 0.00 C ATOM 955 C GLU A 66 -7.916 1.178 -6.432 1.00 0.00 C ATOM 956 O GLU A 66 -7.967 0.018 -6.025 1.00 0.00 O ATOM 957 CB GLU A 66 -6.714 0.628 -8.556 1.00 0.00 C ATOM 958 CG GLU A 66 -5.640 0.988 -9.569 1.00 0.00 C ATOM 959 CD GLU A 66 -6.066 2.107 -10.499 1.00 0.00 C ATOM 960 OE1 GLU A 66 -7.167 2.007 -11.081 1.00 0.00 O ATOM 961 OE2 GLU A 66 -5.300 3.082 -10.646 1.00 0.00 O ATOM 0 H GLU A 66 -5.171 0.857 -6.350 1.00 0.00 H new ATOM 0 HA GLU A 66 -7.082 2.602 -7.792 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -6.506 -0.364 -8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.677 0.571 -9.064 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -4.733 1.284 -9.042 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -5.392 0.105 -10.159 1.00 0.00 H new ATOM 1014 N LEU A 70 -15.419 -2.404 -2.647 1.00 0.00 N ATOM 1015 CA LEU A 70 -14.917 -3.326 -1.634 1.00 0.00 C ATOM 1016 C LEU A 70 -13.688 -4.075 -2.140 1.00 0.00 C ATOM 1017 O LEU A 70 -13.480 -5.241 -1.805 1.00 0.00 O ATOM 1018 CB LEU A 70 -16.008 -4.322 -1.237 1.00 0.00 C ATOM 1019 CG LEU A 70 -16.942 -4.777 -2.359 1.00 0.00 C ATOM 1020 CD1 LEU A 70 -17.380 -6.217 -2.138 1.00 0.00 C ATOM 1021 CD2 LEU A 70 -18.151 -3.858 -2.452 1.00 0.00 C ATOM 0 HA LEU A 70 -14.630 -2.744 -0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -15.529 -5.203 -0.810 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -16.612 -3.873 -0.448 1.00 0.00 H new ATOM 0 HG LEU A 70 -16.398 -4.725 -3.302 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -18.044 -6.523 -2.946 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -16.504 -6.865 -2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -17.906 -6.295 -1.187 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -18.805 -4.197 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -18.696 -3.877 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -17.819 -2.840 -2.659 1.00 0.00 H new ATOM 1033 N GLN A 71 -12.878 -3.396 -2.946 1.00 0.00 N ATOM 1034 CA GLN A 71 -11.670 -3.998 -3.497 1.00 0.00 C ATOM 1035 C GLN A 71 -10.554 -2.965 -3.618 1.00 0.00 C ATOM 1036 O GLN A 71 -10.581 -2.109 -4.503 1.00 0.00 O ATOM 1037 CB GLN A 71 -11.960 -4.616 -4.866 1.00 0.00 C ATOM 1038 CG GLN A 71 -10.891 -5.590 -5.333 1.00 0.00 C ATOM 1039 CD GLN A 71 -11.384 -6.518 -6.425 1.00 0.00 C ATOM 1040 OE1 GLN A 71 -11.871 -6.069 -7.464 1.00 0.00 O ATOM 1041 NE2 GLN A 71 -11.260 -7.820 -6.197 1.00 0.00 N ATOM 0 H GLN A 71 -13.036 -2.430 -3.232 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.342 -4.783 -2.815 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -12.919 -5.133 -4.826 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -12.059 -3.818 -5.602 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -10.030 -5.031 -5.698 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.549 -6.183 -4.484 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -10.851 -8.148 -5.322 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -11.574 -8.492 -6.897 1.00 0.00 H new ATOM 1050 N HIS A 72 -9.575 -3.051 -2.724 1.00 0.00 N ATOM 1051 CA HIS A 72 -8.449 -2.123 -2.731 1.00 0.00 C ATOM 1052 C HIS A 72 -7.155 -2.842 -3.101 1.00 0.00 C ATOM 1053 O HIS A 72 -7.027 -4.050 -2.903 1.00 0.00 O ATOM 1054 CB HIS A 72 -8.302 -1.456 -1.363 1.00 0.00 C ATOM 1055 CG HIS A 72 -9.536 -0.736 -0.912 1.00 0.00 C ATOM 1056 ND1 HIS A 72 -9.531 0.580 -0.500 1.00 0.00 N ATOM 1057 CD2 HIS A 72 -10.819 -1.156 -0.811 1.00 0.00 C ATOM 1058 CE1 HIS A 72 -10.758 0.937 -0.163 1.00 0.00 C ATOM 1059 NE2 HIS A 72 -11.558 -0.098 -0.343 1.00 0.00 N ATOM 0 H HIS A 72 -9.538 -3.753 -1.985 1.00 0.00 H new ATOM 0 HA HIS A 72 -8.646 -1.357 -3.481 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -8.043 -2.214 -0.624 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -7.472 -0.750 -1.399 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -11.192 -2.140 -1.053 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -11.056 1.910 0.198 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -12.562 -0.110 -0.163 1.00 0.00 H new ATOM 1067 N ARG A 73 -6.201 -2.091 -3.640 1.00 0.00 N ATOM 1068 CA ARG A 73 -4.918 -2.656 -4.040 1.00 0.00 C ATOM 1069 C ARG A 73 -3.856 -1.567 -4.159 1.00 0.00 C ATOM 1070 O ARG A 73 -4.123 -0.479 -4.673 1.00 0.00 O ATOM 1071 CB ARG A 73 -5.056 -3.397 -5.372 1.00 0.00 C ATOM 1072 CG ARG A 73 -4.035 -4.507 -5.560 1.00 0.00 C ATOM 1073 CD ARG A 73 -4.240 -5.235 -6.879 1.00 0.00 C ATOM 1074 NE ARG A 73 -3.312 -6.352 -7.038 1.00 0.00 N ATOM 1075 CZ ARG A 73 -3.031 -6.912 -8.209 1.00 0.00 C ATOM 1076 NH1 ARG A 73 -3.603 -6.462 -9.318 1.00 0.00 N ATOM 1077 NH2 ARG A 73 -2.176 -7.924 -8.273 1.00 0.00 N ATOM 0 H ARG A 73 -6.292 -1.089 -3.810 1.00 0.00 H new ATOM 0 HA ARG A 73 -4.605 -3.361 -3.270 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -6.058 -3.821 -5.440 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.957 -2.681 -6.188 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.030 -4.087 -5.527 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -4.111 -5.216 -4.736 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.264 -5.604 -6.934 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -4.109 -4.535 -7.704 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.855 -6.722 -6.204 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.261 -5.684 -9.273 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.385 -6.894 -10.216 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.734 -8.273 -7.423 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.961 -8.354 -9.173 1.00 0.00 H new ATOM 1091 N LEU A 74 -2.653 -1.865 -3.682 1.00 0.00 N ATOM 1092 CA LEU A 74 -1.551 -0.911 -3.735 1.00 0.00 C ATOM 1093 C LEU A 74 -0.294 -1.563 -4.303 1.00 0.00 C ATOM 1094 O LEU A 74 0.399 -2.307 -3.609 1.00 0.00 O ATOM 1095 CB LEU A 74 -1.265 -0.355 -2.339 1.00 0.00 C ATOM 1096 CG LEU A 74 0.018 0.464 -2.193 1.00 0.00 C ATOM 1097 CD1 LEU A 74 -0.204 1.892 -2.664 1.00 0.00 C ATOM 1098 CD2 LEU A 74 0.501 0.446 -0.750 1.00 0.00 C ATOM 0 H LEU A 74 -2.416 -2.760 -3.254 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.842 -0.092 -4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -2.107 0.269 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -1.221 -1.190 -1.639 1.00 0.00 H new ATOM 0 HG LEU A 74 0.788 0.012 -2.819 1.00 0.00 H new ATOM 0 HD11 LEU A 74 0.720 2.460 -2.553 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -0.503 1.887 -3.712 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -0.989 2.355 -2.065 1.00 0.00 H new ATOM 0 HD21 LEU A 74 1.415 1.034 -0.665 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -0.266 0.873 -0.104 1.00 0.00 H new ATOM 0 HD23 LEU A 74 0.701 -0.581 -0.446 1.00 0.00 H new ATOM 1110 N ILE A 75 -0.005 -1.275 -5.567 1.00 0.00 N ATOM 1111 CA ILE A 75 1.171 -1.830 -6.227 1.00 0.00 C ATOM 1112 C ILE A 75 2.368 -0.895 -6.096 1.00 0.00 C ATOM 1113 O ILE A 75 2.262 0.306 -6.350 1.00 0.00 O ATOM 1114 CB ILE A 75 0.904 -2.099 -7.720 1.00 0.00 C ATOM 1115 CG1 ILE A 75 -0.367 -2.932 -7.892 1.00 0.00 C ATOM 1116 CG2 ILE A 75 2.095 -2.804 -8.352 1.00 0.00 C ATOM 1117 CD1 ILE A 75 -1.618 -2.099 -8.063 1.00 0.00 C ATOM 0 H ILE A 75 -0.568 -0.661 -6.155 1.00 0.00 H new ATOM 0 HA ILE A 75 1.395 -2.774 -5.731 1.00 0.00 H new ATOM 0 HB ILE A 75 0.761 -1.144 -8.226 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.251 -3.581 -8.760 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -0.487 -3.579 -7.023 1.00 0.00 H new ATOM 0 HG21 ILE A 75 1.891 -2.987 -9.407 1.00 0.00 H new ATOM 0 HG22 ILE A 75 2.981 -2.177 -8.257 1.00 0.00 H new ATOM 0 HG23 ILE A 75 2.267 -3.754 -7.845 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -2.480 -2.756 -8.180 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -1.758 -1.469 -7.185 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -1.519 -1.471 -8.948 1.00 0.00 H new ATOM 1129 N LEU A 76 3.506 -1.452 -5.699 1.00 0.00 N ATOM 1130 CA LEU A 76 4.726 -0.668 -5.536 1.00 0.00 C ATOM 1131 C LEU A 76 5.857 -1.237 -6.387 1.00 0.00 C ATOM 1132 O LEU A 76 6.505 -2.212 -6.005 1.00 0.00 O ATOM 1133 CB LEU A 76 5.144 -0.639 -4.065 1.00 0.00 C ATOM 1134 CG LEU A 76 4.059 -0.233 -3.067 1.00 0.00 C ATOM 1135 CD1 LEU A 76 4.346 -0.825 -1.696 1.00 0.00 C ATOM 1136 CD2 LEU A 76 3.951 1.283 -2.984 1.00 0.00 C ATOM 0 H LEU A 76 3.610 -2.444 -5.484 1.00 0.00 H new ATOM 0 HA LEU A 76 4.522 0.349 -5.870 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.509 -1.629 -3.792 1.00 0.00 H new ATOM 0 HB3 LEU A 76 5.982 0.049 -3.960 1.00 0.00 H new ATOM 0 HG LEU A 76 3.105 -0.627 -3.417 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.563 -0.525 -0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.371 -1.912 -1.767 1.00 0.00 H new ATOM 0 HD13 LEU A 76 5.309 -0.462 -1.337 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.174 1.554 -2.269 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.905 1.698 -2.658 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.697 1.684 -3.965 1.00 0.00 H new ATOM 1148 N HIS A 77 6.091 -0.621 -7.541 1.00 0.00 N ATOM 1149 CA HIS A 77 7.146 -1.064 -8.445 1.00 0.00 C ATOM 1150 C HIS A 77 8.484 -0.437 -8.066 1.00 0.00 C ATOM 1151 O HIS A 77 8.570 0.765 -7.819 1.00 0.00 O ATOM 1152 CB HIS A 77 6.793 -0.707 -9.889 1.00 0.00 C ATOM 1153 CG HIS A 77 5.320 -0.695 -10.160 1.00 0.00 C ATOM 1154 ND1 HIS A 77 4.688 -1.649 -10.930 1.00 0.00 N ATOM 1155 CD2 HIS A 77 4.353 0.162 -9.758 1.00 0.00 C ATOM 1156 CE1 HIS A 77 3.397 -1.378 -10.990 1.00 0.00 C ATOM 1157 NE2 HIS A 77 3.167 -0.284 -10.287 1.00 0.00 N ATOM 0 H HIS A 77 5.564 0.187 -7.872 1.00 0.00 H new ATOM 0 HA HIS A 77 7.234 -2.147 -8.358 1.00 0.00 H new ATOM 0 HB2 HIS A 77 7.205 0.275 -10.123 1.00 0.00 H new ATOM 0 HB3 HIS A 77 7.272 -1.422 -10.559 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.489 1.035 -9.136 1.00 0.00 H new ATOM 0 HE1 HIS A 77 2.655 -1.953 -11.524 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.257 0.158 -10.158 1.00 0.00 H new ATOM 1166 N ALA A 78 9.526 -1.261 -8.022 1.00 0.00 N ATOM 1167 CA ALA A 78 10.860 -0.787 -7.674 1.00 0.00 C ATOM 1168 C ALA A 78 10.975 -0.518 -6.178 1.00 0.00 C ATOM 1169 O ALA A 78 11.353 0.577 -5.761 1.00 0.00 O ATOM 1170 CB ALA A 78 11.197 0.468 -8.466 1.00 0.00 C ATOM 0 H ALA A 78 9.472 -2.260 -8.223 1.00 0.00 H new ATOM 0 HA ALA A 78 11.575 -1.569 -7.931 1.00 0.00 H new ATOM 0 HB1 ALA A 78 12.196 0.811 -8.196 1.00 0.00 H new ATOM 0 HB2 ALA A 78 11.166 0.245 -9.532 1.00 0.00 H new ATOM 0 HB3 ALA A 78 10.471 1.248 -8.237 1.00 0.00 H new ATOM 1176 N VAL A 79 10.645 -1.524 -5.373 1.00 0.00 N ATOM 1177 CA VAL A 79 10.712 -1.395 -3.922 1.00 0.00 C ATOM 1178 C VAL A 79 12.139 -1.581 -3.419 1.00 0.00 C ATOM 1179 O VAL A 79 12.770 -2.607 -3.673 1.00 0.00 O ATOM 1180 CB VAL A 79 9.796 -2.419 -3.226 1.00 0.00 C ATOM 1181 CG1 VAL A 79 8.336 -2.126 -3.534 1.00 0.00 C ATOM 1182 CG2 VAL A 79 10.164 -3.834 -3.645 1.00 0.00 C ATOM 0 H VAL A 79 10.329 -2.437 -5.701 1.00 0.00 H new ATOM 0 HA VAL A 79 10.372 -0.389 -3.677 1.00 0.00 H new ATOM 0 HB VAL A 79 9.939 -2.335 -2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 79 7.704 -2.860 -3.034 1.00 0.00 H new ATOM 0 HG12 VAL A 79 8.083 -1.127 -3.179 1.00 0.00 H new ATOM 0 HG13 VAL A 79 8.173 -2.181 -4.610 1.00 0.00 H new ATOM 0 HG21 VAL A 79 9.507 -4.544 -3.144 1.00 0.00 H new ATOM 0 HG22 VAL A 79 10.051 -3.935 -4.724 1.00 0.00 H new ATOM 0 HG23 VAL A 79 11.198 -4.038 -3.368 1.00 0.00 H new ATOM 1192 N LYS A 80 12.642 -0.581 -2.703 1.00 0.00 N ATOM 1193 CA LYS A 80 13.995 -0.633 -2.161 1.00 0.00 C ATOM 1194 C LYS A 80 14.035 -1.456 -0.877 1.00 0.00 C ATOM 1195 O LYS A 80 13.098 -1.427 -0.079 1.00 0.00 O ATOM 1196 CB LYS A 80 14.512 0.781 -1.889 1.00 0.00 C ATOM 1197 CG LYS A 80 14.601 1.646 -3.135 1.00 0.00 C ATOM 1198 CD LYS A 80 13.235 2.163 -3.553 1.00 0.00 C ATOM 1199 CE LYS A 80 13.348 3.447 -4.360 1.00 0.00 C ATOM 1200 NZ LYS A 80 14.009 3.220 -5.675 1.00 0.00 N ATOM 0 H LYS A 80 12.133 0.275 -2.484 1.00 0.00 H new ATOM 0 HA LYS A 80 14.638 -1.112 -2.900 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.856 1.266 -1.166 1.00 0.00 H new ATOM 0 HB3 LYS A 80 15.499 0.716 -1.431 1.00 0.00 H new ATOM 0 HG2 LYS A 80 15.268 2.488 -2.948 1.00 0.00 H new ATOM 0 HG3 LYS A 80 15.037 1.068 -3.950 1.00 0.00 H new ATOM 0 HD2 LYS A 80 12.723 1.404 -4.145 1.00 0.00 H new ATOM 0 HD3 LYS A 80 12.626 2.341 -2.667 1.00 0.00 H new ATOM 0 HE2 LYS A 80 12.354 3.864 -4.521 1.00 0.00 H new ATOM 0 HE3 LYS A 80 13.914 4.184 -3.791 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 14.067 4.119 -6.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 14.967 2.846 -5.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.455 2.536 -6.228 1.00 0.00 H new ATOM 1214 N HIS A 81 15.128 -2.189 -0.683 1.00 0.00 N ATOM 1215 CA HIS A 81 15.291 -3.018 0.505 1.00 0.00 C ATOM 1216 C HIS A 81 15.298 -2.162 1.768 1.00 0.00 C ATOM 1217 O HIS A 81 14.848 -2.599 2.827 1.00 0.00 O ATOM 1218 CB HIS A 81 16.586 -3.826 0.416 1.00 0.00 C ATOM 1219 CG HIS A 81 17.082 -4.312 1.743 1.00 0.00 C ATOM 1220 ND1 HIS A 81 16.414 -5.255 2.496 1.00 0.00 N ATOM 1221 CD2 HIS A 81 18.188 -3.982 2.449 1.00 0.00 C ATOM 1222 CE1 HIS A 81 17.088 -5.482 3.610 1.00 0.00 C ATOM 1223 NE2 HIS A 81 18.169 -4.722 3.606 1.00 0.00 N ATOM 0 H HIS A 81 15.913 -2.225 -1.333 1.00 0.00 H new ATOM 0 HA HIS A 81 14.446 -3.705 0.557 1.00 0.00 H new ATOM 0 HB2 HIS A 81 16.426 -4.683 -0.238 1.00 0.00 H new ATOM 0 HB3 HIS A 81 17.357 -3.211 -0.048 1.00 0.00 H new ATOM 0 HD1 HIS A 81 15.538 -5.706 2.234 1.00 0.00 H new ATOM 0 HD2 HIS A 81 18.945 -3.269 2.157 1.00 0.00 H new ATOM 0 HE1 HIS A 81 16.804 -6.172 4.391 1.00 0.00 H new ATOM 1232 N GLN A 82 15.812 -0.942 1.648 1.00 0.00 N ATOM 1233 CA GLN A 82 15.878 -0.027 2.781 1.00 0.00 C ATOM 1234 C GLN A 82 14.541 0.033 3.512 1.00 0.00 C ATOM 1235 O GLN A 82 14.485 0.357 4.698 1.00 0.00 O ATOM 1236 CB GLN A 82 16.279 1.372 2.310 1.00 0.00 C ATOM 1237 CG GLN A 82 15.296 1.988 1.327 1.00 0.00 C ATOM 1238 CD GLN A 82 15.865 3.198 0.613 1.00 0.00 C ATOM 1239 OE1 GLN A 82 16.233 3.125 -0.560 1.00 0.00 O ATOM 1240 NE2 GLN A 82 15.941 4.321 1.318 1.00 0.00 N ATOM 0 H GLN A 82 16.188 -0.565 0.778 1.00 0.00 H new ATOM 0 HA GLN A 82 16.632 -0.400 3.474 1.00 0.00 H new ATOM 0 HB2 GLN A 82 16.371 2.026 3.177 1.00 0.00 H new ATOM 0 HB3 GLN A 82 17.263 1.321 1.844 1.00 0.00 H new ATOM 0 HG2 GLN A 82 15.007 1.239 0.590 1.00 0.00 H new ATOM 0 HG3 GLN A 82 14.390 2.278 1.859 1.00 0.00 H new ATOM 0 HE21 GLN A 82 15.625 4.337 2.288 1.00 0.00 H new ATOM 0 HE22 GLN A 82 16.316 5.168 0.890 1.00 0.00 H new ATOM 1249 N ASP A 83 13.467 -0.281 2.796 1.00 0.00 N ATOM 1250 CA ASP A 83 12.129 -0.263 3.376 1.00 0.00 C ATOM 1251 C ASP A 83 11.681 -1.672 3.752 1.00 0.00 C ATOM 1252 O ASP A 83 10.488 -1.975 3.753 1.00 0.00 O ATOM 1253 CB ASP A 83 11.133 0.358 2.397 1.00 0.00 C ATOM 1254 CG ASP A 83 11.106 1.872 2.480 1.00 0.00 C ATOM 1255 OD1 ASP A 83 12.047 2.511 1.964 1.00 0.00 O ATOM 1256 OD2 ASP A 83 10.144 2.417 3.060 1.00 0.00 O ATOM 0 H ASP A 83 13.497 -0.551 1.813 1.00 0.00 H new ATOM 0 HA ASP A 83 12.161 0.343 4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 83 11.391 0.057 1.381 1.00 0.00 H new ATOM 0 HB3 ASP A 83 10.136 -0.032 2.601 1.00 0.00 H new ATOM 1261 N SER A 84 12.646 -2.530 4.068 1.00 0.00 N ATOM 1262 CA SER A 84 12.352 -3.909 4.440 1.00 0.00 C ATOM 1263 C SER A 84 11.511 -3.961 5.711 1.00 0.00 C ATOM 1264 O SER A 84 11.441 -2.989 6.463 1.00 0.00 O ATOM 1265 CB SER A 84 13.649 -4.694 4.641 1.00 0.00 C ATOM 1266 OG SER A 84 13.383 -6.055 4.928 1.00 0.00 O ATOM 0 H SER A 84 13.638 -2.294 4.074 1.00 0.00 H new ATOM 0 HA SER A 84 11.783 -4.364 3.629 1.00 0.00 H new ATOM 0 HB2 SER A 84 14.264 -4.622 3.744 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.222 -4.253 5.456 1.00 0.00 H new ATOM 0 HG SER A 84 14.229 -6.535 5.050 1.00 0.00 H new ATOM 1272 N GLY A 85 10.872 -5.103 5.945 1.00 0.00 N ATOM 1273 CA GLY A 85 10.043 -5.262 7.126 1.00 0.00 C ATOM 1274 C GLY A 85 9.055 -4.125 7.298 1.00 0.00 C ATOM 1275 O GLY A 85 8.749 -3.724 8.420 1.00 0.00 O ATOM 0 H GLY A 85 10.914 -5.921 5.338 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.500 -6.205 7.061 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.680 -5.322 8.008 1.00 0.00 H new ATOM 1279 N ALA A 86 8.554 -3.605 6.182 1.00 0.00 N ATOM 1280 CA ALA A 86 7.595 -2.508 6.214 1.00 0.00 C ATOM 1281 C ALA A 86 6.250 -2.972 6.763 1.00 0.00 C ATOM 1282 O ALA A 86 6.022 -4.168 6.948 1.00 0.00 O ATOM 1283 CB ALA A 86 7.424 -1.916 4.823 1.00 0.00 C ATOM 0 H ALA A 86 8.797 -3.926 5.245 1.00 0.00 H new ATOM 0 HA ALA A 86 7.983 -1.737 6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 86 6.705 -1.098 4.862 1.00 0.00 H new ATOM 0 HB2 ALA A 86 8.383 -1.540 4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 86 7.061 -2.686 4.142 1.00 0.00 H new ATOM 1289 N LEU A 87 5.361 -2.018 7.021 1.00 0.00 N ATOM 1290 CA LEU A 87 4.037 -2.329 7.549 1.00 0.00 C ATOM 1291 C LEU A 87 2.947 -1.672 6.709 1.00 0.00 C ATOM 1292 O LEU A 87 2.623 -0.500 6.900 1.00 0.00 O ATOM 1293 CB LEU A 87 3.925 -1.866 9.003 1.00 0.00 C ATOM 1294 CG LEU A 87 2.999 -2.687 9.900 1.00 0.00 C ATOM 1295 CD1 LEU A 87 1.622 -2.818 9.268 1.00 0.00 C ATOM 1296 CD2 LEU A 87 3.597 -4.061 10.169 1.00 0.00 C ATOM 0 H LEU A 87 5.533 -1.024 6.873 1.00 0.00 H new ATOM 0 HA LEU A 87 3.901 -3.410 7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.922 -1.872 9.443 1.00 0.00 H new ATOM 0 HB3 LEU A 87 3.580 -0.832 9.008 1.00 0.00 H new ATOM 0 HG LEU A 87 2.892 -2.167 10.852 1.00 0.00 H new ATOM 0 HD11 LEU A 87 0.976 -3.406 9.921 1.00 0.00 H new ATOM 0 HD12 LEU A 87 1.190 -1.827 9.127 1.00 0.00 H new ATOM 0 HD13 LEU A 87 1.711 -3.315 8.302 1.00 0.00 H new ATOM 0 HD21 LEU A 87 2.924 -4.632 10.809 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.735 -4.589 9.225 1.00 0.00 H new ATOM 0 HD23 LEU A 87 4.561 -3.948 10.665 1.00 0.00 H new ATOM 1308 N VAL A 88 2.384 -2.436 5.778 1.00 0.00 N ATOM 1309 CA VAL A 88 1.328 -1.929 4.910 1.00 0.00 C ATOM 1310 C VAL A 88 -0.047 -2.364 5.406 1.00 0.00 C ATOM 1311 O VAL A 88 -0.343 -3.556 5.479 1.00 0.00 O ATOM 1312 CB VAL A 88 1.514 -2.410 3.459 1.00 0.00 C ATOM 1313 CG1 VAL A 88 0.474 -1.776 2.548 1.00 0.00 C ATOM 1314 CG2 VAL A 88 2.922 -2.100 2.972 1.00 0.00 C ATOM 0 H VAL A 88 2.642 -3.408 5.606 1.00 0.00 H new ATOM 0 HA VAL A 88 1.393 -0.841 4.935 1.00 0.00 H new ATOM 0 HB VAL A 88 1.374 -3.491 3.432 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.622 -2.128 1.527 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -0.524 -2.054 2.887 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.578 -0.691 2.576 1.00 0.00 H new ATOM 0 HG21 VAL A 88 3.036 -2.447 1.945 1.00 0.00 H new ATOM 0 HG22 VAL A 88 3.093 -1.024 3.013 1.00 0.00 H new ATOM 0 HG23 VAL A 88 3.647 -2.607 3.609 1.00 0.00 H new ATOM 1324 N GLY A 89 -0.884 -1.388 5.745 1.00 0.00 N ATOM 1325 CA GLY A 89 -2.219 -1.691 6.229 1.00 0.00 C ATOM 1326 C GLY A 89 -3.248 -0.682 5.759 1.00 0.00 C ATOM 1327 O GLY A 89 -2.953 0.507 5.640 1.00 0.00 O ATOM 0 H GLY A 89 -0.662 -0.394 5.693 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -2.508 -2.686 5.890 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -2.210 -1.716 7.319 1.00 0.00 H new ATOM 1331 N PHE A 90 -4.460 -1.157 5.491 1.00 0.00 N ATOM 1332 CA PHE A 90 -5.536 -0.289 5.029 1.00 0.00 C ATOM 1333 C PHE A 90 -6.480 0.065 6.175 1.00 0.00 C ATOM 1334 O PHE A 90 -7.269 -0.767 6.622 1.00 0.00 O ATOM 1335 CB PHE A 90 -6.318 -0.965 3.900 1.00 0.00 C ATOM 1336 CG PHE A 90 -7.680 -0.374 3.677 1.00 0.00 C ATOM 1337 CD1 PHE A 90 -7.837 0.768 2.908 1.00 0.00 C ATOM 1338 CD2 PHE A 90 -8.805 -0.961 4.234 1.00 0.00 C ATOM 1339 CE1 PHE A 90 -9.089 1.314 2.701 1.00 0.00 C ATOM 1340 CE2 PHE A 90 -10.060 -0.420 4.031 1.00 0.00 C ATOM 1341 CZ PHE A 90 -10.202 0.719 3.262 1.00 0.00 C ATOM 0 H PHE A 90 -4.721 -2.138 5.586 1.00 0.00 H new ATOM 0 HA PHE A 90 -5.089 0.631 4.652 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -5.743 -0.892 2.977 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -6.424 -2.026 4.127 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -6.971 1.237 2.465 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -8.699 -1.853 4.834 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.197 2.205 2.101 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -10.928 -0.887 4.473 1.00 0.00 H new ATOM 0 HZ PHE A 90 -11.182 1.143 3.100 1.00 0.00 H new ATOM 1351 N SER A 91 -6.390 1.305 6.646 1.00 0.00 N ATOM 1352 CA SER A 91 -7.232 1.768 7.743 1.00 0.00 C ATOM 1353 C SER A 91 -8.511 2.410 7.213 1.00 0.00 C ATOM 1354 O SER A 91 -8.466 3.294 6.356 1.00 0.00 O ATOM 1355 CB SER A 91 -6.469 2.769 8.612 1.00 0.00 C ATOM 1356 OG SER A 91 -6.077 3.904 7.860 1.00 0.00 O ATOM 0 H SER A 91 -5.743 2.006 6.285 1.00 0.00 H new ATOM 0 HA SER A 91 -7.504 0.904 8.349 1.00 0.00 H new ATOM 0 HB2 SER A 91 -7.096 3.081 9.447 1.00 0.00 H new ATOM 0 HB3 SER A 91 -5.588 2.288 9.037 1.00 0.00 H new ATOM 0 HG SER A 91 -5.100 3.924 7.783 1.00 0.00 H new ATOM 1362 N CYS A 92 -9.649 1.958 7.728 1.00 0.00 N ATOM 1363 CA CYS A 92 -10.942 2.487 7.307 1.00 0.00 C ATOM 1364 C CYS A 92 -11.937 2.474 8.462 1.00 0.00 C ATOM 1365 O CYS A 92 -11.801 1.716 9.422 1.00 0.00 O ATOM 1366 CB CYS A 92 -11.492 1.672 6.135 1.00 0.00 C ATOM 1367 SG CYS A 92 -12.581 0.315 6.626 1.00 0.00 S ATOM 0 H CYS A 92 -9.703 1.227 8.437 1.00 0.00 H new ATOM 0 HA CYS A 92 -10.798 3.519 6.987 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -12.038 2.339 5.468 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -10.656 1.265 5.565 1.00 0.00 H new ATOM 0 HG CYS A 92 -12.996 -0.313 5.566 1.00 0.00 H new ATOM 1373 N PRO A 93 -12.962 3.335 8.370 1.00 0.00 N ATOM 1374 CA PRO A 93 -14.000 3.443 9.400 1.00 0.00 C ATOM 1375 C PRO A 93 -14.905 2.217 9.441 1.00 0.00 C ATOM 1376 O PRO A 93 -16.021 2.240 8.923 1.00 0.00 O ATOM 1377 CB PRO A 93 -14.794 4.680 8.975 1.00 0.00 C ATOM 1378 CG PRO A 93 -14.577 4.783 7.504 1.00 0.00 C ATOM 1379 CD PRO A 93 -13.186 4.268 7.254 1.00 0.00 C ATOM 0 HA PRO A 93 -13.575 3.516 10.401 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -15.852 4.572 9.212 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -14.441 5.573 9.491 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -15.315 4.195 6.958 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -14.678 5.814 7.166 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -13.111 3.766 6.289 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -12.453 5.075 7.252 1.00 0.00 H new ATOM 1387 N GLY A 94 -14.417 1.146 10.061 1.00 0.00 N ATOM 1388 CA GLY A 94 -15.196 -0.074 10.158 1.00 0.00 C ATOM 1389 C GLY A 94 -14.334 -1.319 10.094 1.00 0.00 C ATOM 1390 O GLY A 94 -14.759 -2.399 10.504 1.00 0.00 O ATOM 0 H GLY A 94 -13.496 1.102 10.498 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -15.755 -0.071 11.094 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -15.927 -0.100 9.350 1.00 0.00 H new ATOM 1394 N VAL A 95 -13.119 -1.170 9.576 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.195 -2.291 9.459 1.00 0.00 C ATOM 1396 C VAL A 95 -10.768 -1.863 9.783 1.00 0.00 C ATOM 1397 O VAL A 95 -10.373 -0.729 9.513 1.00 0.00 O ATOM 1398 CB VAL A 95 -12.227 -2.900 8.044 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -11.118 -3.927 7.879 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -13.587 -3.522 7.764 1.00 0.00 C ATOM 0 H VAL A 95 -12.752 -0.283 9.231 1.00 0.00 H new ATOM 0 HA VAL A 95 -12.518 -3.044 10.178 1.00 0.00 H new ATOM 0 HB VAL A 95 -12.061 -2.103 7.320 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -11.157 -4.346 6.874 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -10.152 -3.447 8.035 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -11.249 -4.725 8.610 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -13.593 -3.948 6.761 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -13.785 -4.308 8.493 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.359 -2.756 7.838 1.00 0.00 H new ATOM 1410 N GLN A 96 -9.999 -2.779 10.363 1.00 0.00 N ATOM 1411 CA GLN A 96 -8.615 -2.496 10.725 1.00 0.00 C ATOM 1412 C GLN A 96 -7.739 -3.730 10.535 1.00 0.00 C ATOM 1413 O GLN A 96 -7.862 -4.710 11.271 1.00 0.00 O ATOM 1414 CB GLN A 96 -8.533 -2.016 12.175 1.00 0.00 C ATOM 1415 CG GLN A 96 -9.449 -0.842 12.480 1.00 0.00 C ATOM 1416 CD GLN A 96 -9.366 -0.397 13.927 1.00 0.00 C ATOM 1417 OE1 GLN A 96 -8.292 -0.054 14.422 1.00 0.00 O ATOM 1418 NE2 GLN A 96 -10.502 -0.400 14.614 1.00 0.00 N ATOM 0 H GLN A 96 -10.311 -3.723 10.592 1.00 0.00 H new ATOM 0 HA GLN A 96 -8.248 -1.708 10.067 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -8.784 -2.844 12.838 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -7.505 -1.731 12.397 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -9.189 -0.005 11.831 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -10.477 -1.119 12.247 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -11.369 -0.692 14.164 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -10.507 -0.110 15.592 1.00 0.00 H new ATOM 1427 N ASP A 97 -6.856 -3.676 9.544 1.00 0.00 N ATOM 1428 CA ASP A 97 -5.959 -4.789 9.258 1.00 0.00 C ATOM 1429 C ASP A 97 -4.639 -4.289 8.681 1.00 0.00 C ATOM 1430 O ASP A 97 -4.553 -3.166 8.184 1.00 0.00 O ATOM 1431 CB ASP A 97 -6.618 -5.766 8.283 1.00 0.00 C ATOM 1432 CG ASP A 97 -6.087 -7.178 8.429 1.00 0.00 C ATOM 1433 OD1 ASP A 97 -6.566 -7.902 9.328 1.00 0.00 O ATOM 1434 OD2 ASP A 97 -5.194 -7.560 7.645 1.00 0.00 O ATOM 0 H ASP A 97 -6.742 -2.873 8.925 1.00 0.00 H new ATOM 0 HA ASP A 97 -5.753 -5.306 10.195 1.00 0.00 H new ATOM 0 HB2 ASP A 97 -7.695 -5.768 8.448 1.00 0.00 H new ATOM 0 HB3 ASP A 97 -6.452 -5.423 7.262 1.00 0.00 H new ATOM 1439 N SER A 98 -3.611 -5.129 8.752 1.00 0.00 N ATOM 1440 CA SER A 98 -2.293 -4.770 8.242 1.00 0.00 C ATOM 1441 C SER A 98 -1.484 -6.018 7.900 1.00 0.00 C ATOM 1442 O SER A 98 -1.709 -7.089 8.462 1.00 0.00 O ATOM 1443 CB SER A 98 -1.538 -3.924 9.269 1.00 0.00 C ATOM 1444 OG SER A 98 -1.232 -4.681 10.427 1.00 0.00 O ATOM 0 H SER A 98 -3.666 -6.063 9.158 1.00 0.00 H new ATOM 0 HA SER A 98 -2.430 -4.186 7.332 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.618 -3.544 8.826 1.00 0.00 H new ATOM 0 HB3 SER A 98 -2.140 -3.058 9.545 1.00 0.00 H new ATOM 0 HG SER A 98 -0.748 -4.118 11.067 1.00 0.00 H new ATOM 1450 N ALA A 99 -0.542 -5.870 6.975 1.00 0.00 N ATOM 1451 CA ALA A 99 0.302 -6.983 6.559 1.00 0.00 C ATOM 1452 C ALA A 99 1.772 -6.693 6.843 1.00 0.00 C ATOM 1453 O ALA A 99 2.116 -5.634 7.368 1.00 0.00 O ATOM 1454 CB ALA A 99 0.096 -7.278 5.081 1.00 0.00 C ATOM 0 H ALA A 99 -0.344 -4.990 6.499 1.00 0.00 H new ATOM 0 HA ALA A 99 0.014 -7.861 7.137 1.00 0.00 H new ATOM 0 HB1 ALA A 99 0.733 -8.111 4.784 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -0.948 -7.538 4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 99 0.355 -6.397 4.494 1.00 0.00 H new ATOM 1460 N ALA A 100 2.636 -7.640 6.492 1.00 0.00 N ATOM 1461 CA ALA A 100 4.069 -7.486 6.708 1.00 0.00 C ATOM 1462 C ALA A 100 4.842 -7.652 5.404 1.00 0.00 C ATOM 1463 O ALA A 100 4.726 -8.675 4.728 1.00 0.00 O ATOM 1464 CB ALA A 100 4.558 -8.486 7.745 1.00 0.00 C ATOM 0 H ALA A 100 2.368 -8.523 6.056 1.00 0.00 H new ATOM 0 HA ALA A 100 4.248 -6.477 7.080 1.00 0.00 H new ATOM 0 HB1 ALA A 100 5.630 -8.359 7.896 1.00 0.00 H new ATOM 0 HB2 ALA A 100 4.037 -8.317 8.687 1.00 0.00 H new ATOM 0 HB3 ALA A 100 4.358 -9.499 7.396 1.00 0.00 H new ATOM 1470 N LEU A 101 5.629 -6.641 5.056 1.00 0.00 N ATOM 1471 CA LEU A 101 6.421 -6.674 3.831 1.00 0.00 C ATOM 1472 C LEU A 101 7.838 -7.164 4.112 1.00 0.00 C ATOM 1473 O LEU A 101 8.395 -6.909 5.181 1.00 0.00 O ATOM 1474 CB LEU A 101 6.467 -5.286 3.191 1.00 0.00 C ATOM 1475 CG LEU A 101 7.268 -5.170 1.894 1.00 0.00 C ATOM 1476 CD1 LEU A 101 6.519 -5.826 0.744 1.00 0.00 C ATOM 1477 CD2 LEU A 101 7.564 -3.711 1.578 1.00 0.00 C ATOM 0 H LEU A 101 5.736 -5.788 5.604 1.00 0.00 H new ATOM 0 HA LEU A 101 5.946 -7.370 3.140 1.00 0.00 H new ATOM 0 HB2 LEU A 101 5.444 -4.966 2.992 1.00 0.00 H new ATOM 0 HB3 LEU A 101 6.885 -4.587 3.916 1.00 0.00 H new ATOM 0 HG LEU A 101 8.216 -5.691 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 101 7.104 -5.734 -0.171 1.00 0.00 H new ATOM 0 HD12 LEU A 101 6.360 -6.881 0.968 1.00 0.00 H new ATOM 0 HD13 LEU A 101 5.556 -5.334 0.610 1.00 0.00 H new ATOM 0 HD21 LEU A 101 8.135 -3.648 0.652 1.00 0.00 H new ATOM 0 HD22 LEU A 101 6.627 -3.166 1.465 1.00 0.00 H new ATOM 0 HD23 LEU A 101 8.143 -3.273 2.391 1.00 0.00 H new ATOM 1489 N THR A 102 8.418 -7.868 3.145 1.00 0.00 N ATOM 1490 CA THR A 102 9.770 -8.393 3.288 1.00 0.00 C ATOM 1491 C THR A 102 10.570 -8.208 2.003 1.00 0.00 C ATOM 1492 O THR A 102 10.156 -8.653 0.933 1.00 0.00 O ATOM 1493 CB THR A 102 9.756 -9.888 3.659 1.00 0.00 C ATOM 1494 OG1 THR A 102 9.081 -10.076 4.908 1.00 0.00 O ATOM 1495 CG2 THR A 102 11.173 -10.435 3.755 1.00 0.00 C ATOM 0 H THR A 102 7.972 -8.088 2.254 1.00 0.00 H new ATOM 0 HA THR A 102 10.244 -7.831 4.093 1.00 0.00 H new ATOM 0 HB THR A 102 9.227 -10.430 2.875 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.075 -11.029 5.136 1.00 0.00 H new ATOM 0 HG21 THR A 102 11.138 -11.492 4.018 1.00 0.00 H new ATOM 0 HG22 THR A 102 11.675 -10.317 2.795 1.00 0.00 H new ATOM 0 HG23 THR A 102 11.723 -9.889 4.521 1.00 0.00 H new ATOM 1503 N ILE A 103 11.718 -7.548 2.117 1.00 0.00 N ATOM 1504 CA ILE A 103 12.577 -7.306 0.964 1.00 0.00 C ATOM 1505 C ILE A 103 13.996 -7.803 1.222 1.00 0.00 C ATOM 1506 O ILE A 103 14.708 -7.263 2.067 1.00 0.00 O ATOM 1507 CB ILE A 103 12.627 -5.810 0.604 1.00 0.00 C ATOM 1508 CG1 ILE A 103 11.216 -5.280 0.337 1.00 0.00 C ATOM 1509 CG2 ILE A 103 13.520 -5.586 -0.607 1.00 0.00 C ATOM 1510 CD1 ILE A 103 11.103 -3.776 0.454 1.00 0.00 C ATOM 0 H ILE A 103 12.075 -7.172 2.995 1.00 0.00 H new ATOM 0 HA ILE A 103 12.147 -7.858 0.128 1.00 0.00 H new ATOM 0 HB ILE A 103 13.047 -5.262 1.447 1.00 0.00 H new ATOM 0 HG12 ILE A 103 10.906 -5.583 -0.663 1.00 0.00 H new ATOM 0 HG13 ILE A 103 10.523 -5.744 1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 103 13.545 -4.524 -0.849 1.00 0.00 H new ATOM 0 HG22 ILE A 103 14.529 -5.931 -0.384 1.00 0.00 H new ATOM 0 HG23 ILE A 103 13.126 -6.143 -1.457 1.00 0.00 H new ATOM 0 HD11 ILE A 103 10.076 -3.471 0.252 1.00 0.00 H new ATOM 0 HD12 ILE A 103 11.381 -3.468 1.462 1.00 0.00 H new ATOM 0 HD13 ILE A 103 11.770 -3.304 -0.267 1.00 0.00 H new ATOM 1522 N GLN A 104 14.398 -8.834 0.486 1.00 0.00 N ATOM 1523 CA GLN A 104 15.733 -9.402 0.634 1.00 0.00 C ATOM 1524 C GLN A 104 16.724 -8.714 -0.299 1.00 0.00 C ATOM 1525 O GLN A 104 16.447 -8.524 -1.483 1.00 0.00 O ATOM 1526 CB GLN A 104 15.704 -10.905 0.349 1.00 0.00 C ATOM 1527 CG GLN A 104 15.045 -11.720 1.449 1.00 0.00 C ATOM 1528 CD GLN A 104 15.864 -11.750 2.724 1.00 0.00 C ATOM 1529 OE1 GLN A 104 17.069 -11.496 2.708 1.00 0.00 O ATOM 1530 NE2 GLN A 104 15.214 -12.060 3.840 1.00 0.00 N ATOM 0 H GLN A 104 13.819 -9.293 -0.218 1.00 0.00 H new ATOM 0 HA GLN A 104 16.058 -9.240 1.662 1.00 0.00 H new ATOM 0 HB2 GLN A 104 15.174 -11.079 -0.588 1.00 0.00 H new ATOM 0 HB3 GLN A 104 16.725 -11.259 0.208 1.00 0.00 H new ATOM 0 HG2 GLN A 104 14.061 -11.304 1.664 1.00 0.00 H new ATOM 0 HG3 GLN A 104 14.890 -12.740 1.097 1.00 0.00 H new ATOM 0 HE21 GLN A 104 14.215 -12.264 3.809 1.00 0.00 H new ATOM 0 HE22 GLN A 104 15.714 -12.094 4.728 1.00 0.00 H new ATOM 1539 N GLU A 105 17.880 -8.345 0.243 1.00 0.00 N ATOM 1540 CA GLU A 105 18.912 -7.677 -0.542 1.00 0.00 C ATOM 1541 C GLU A 105 19.151 -8.407 -1.861 1.00 0.00 C ATOM 1542 O GLU A 105 18.790 -9.574 -2.010 1.00 0.00 O ATOM 1543 CB GLU A 105 20.217 -7.596 0.253 1.00 0.00 C ATOM 1544 CG GLU A 105 20.155 -6.636 1.428 1.00 0.00 C ATOM 1545 CD GLU A 105 21.447 -6.601 2.222 1.00 0.00 C ATOM 1546 OE1 GLU A 105 22.510 -6.355 1.615 1.00 0.00 O ATOM 1547 OE2 GLU A 105 21.393 -6.820 3.450 1.00 0.00 O ATOM 0 H GLU A 105 18.126 -8.497 1.221 1.00 0.00 H new ATOM 0 HA GLU A 105 18.567 -6.667 -0.763 1.00 0.00 H new ATOM 0 HB2 GLU A 105 20.471 -8.590 0.620 1.00 0.00 H new ATOM 0 HB3 GLU A 105 21.021 -7.288 -0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 105 19.931 -5.634 1.062 1.00 0.00 H new ATOM 0 HG3 GLU A 105 19.336 -6.926 2.086 1.00 0.00 H new