USER MOD reduce.3.24.130724 H: found=0, std=0, add=498, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 499 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 12 SER OG : rot -62:sc= 2.08 USER MOD Set 1.2: A 14 THR OG1 : rot 67:sc= 1.24 USER MOD Single : A 5 SER OG : rot 150:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.0205) USER MOD Single : A 24 CYS SG : rot 17:sc= 0.21 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 175:sc= 1.18 (180deg=1.07) USER MOD Single : A 30 HIS : no HE2:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 32 HIS : no HD1:sc= -0.175 K(o=-0.18,f=-0.81) USER MOD Single : A 33 LYS NZ :NH3+ -146:sc= -0.0344 (180deg=-0.154) USER MOD Single : A 35 ASN : amide:sc= -0.0816 K(o=-0.082,f=-0.96) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 LYS NZ :NH3+ -165:sc= -0.0474 (180deg=-0.268) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -1.37 K(o=-1.4,f=-4.7!) USER MOD Single : A 53 TYR OH : rot 180:sc= 1.06 USER MOD Single : A 56 LYS NZ :NH3+ -157:sc= -0.139 (180deg=-0.698) USER MOD Single : A 58 THR OG1 : rot -80:sc= 1.49 USER MOD Single : A 61 SER OG : rot 26:sc= 1.22 USER MOD Single : A 64 LYS NZ :NH3+ 145:sc= -1.8! (180deg=-3.86!) USER MOD Single : A 66 LYS NZ :NH3+ -177:sc= 2.32 (180deg=2.3) USER MOD ----------------------------------------------------------------- ATOM 45 N SER A 5 -10.773 -3.181 4.517 1.00 0.00 N ATOM 46 CA SER A 5 -10.052 -1.979 4.097 1.00 0.00 C ATOM 47 C SER A 5 -9.260 -1.372 5.266 1.00 0.00 C ATOM 48 O SER A 5 -9.502 -1.690 6.434 1.00 0.00 O ATOM 49 CB SER A 5 -11.036 -0.968 3.506 1.00 0.00 C ATOM 50 OG SER A 5 -10.377 0.157 2.961 1.00 0.00 O ATOM 0 HA SER A 5 -9.330 -2.252 3.328 1.00 0.00 H new ATOM 0 HB2 SER A 5 -11.630 -1.451 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 5 -11.729 -0.642 4.281 1.00 0.00 H new ATOM 0 HG SER A 5 -10.904 0.516 2.216 1.00 0.00 H new ATOM 56 N ARG A 6 -8.266 -0.550 4.946 1.00 0.00 N ATOM 57 CA ARG A 6 -7.462 0.126 5.963 1.00 0.00 C ATOM 58 C ARG A 6 -6.987 1.476 5.462 1.00 0.00 C ATOM 59 O ARG A 6 -7.278 1.868 4.338 1.00 0.00 O ATOM 60 CB ARG A 6 -6.256 -0.720 6.378 1.00 0.00 C ATOM 61 CG ARG A 6 -5.623 -1.491 5.239 1.00 0.00 C ATOM 62 CD ARG A 6 -5.759 -2.989 5.464 1.00 0.00 C ATOM 63 NE ARG A 6 -7.092 -3.342 5.959 1.00 0.00 N ATOM 64 CZ ARG A 6 -7.549 -4.586 6.083 1.00 0.00 C ATOM 65 NH1 ARG A 6 -6.788 -5.619 5.753 1.00 0.00 N ATOM 66 NH2 ARG A 6 -8.772 -4.788 6.555 1.00 0.00 N ATOM 0 H ARG A 6 -7.996 -0.334 3.987 1.00 0.00 H new ATOM 0 HA ARG A 6 -8.099 0.270 6.835 1.00 0.00 H new ATOM 0 HB2 ARG A 6 -5.504 -0.069 6.824 1.00 0.00 H new ATOM 0 HB3 ARG A 6 -6.567 -1.423 7.150 1.00 0.00 H new ATOM 0 HG2 ARG A 6 -6.098 -1.215 4.298 1.00 0.00 H new ATOM 0 HG3 ARG A 6 -4.569 -1.225 5.154 1.00 0.00 H new ATOM 0 HD2 ARG A 6 -5.566 -3.517 4.530 1.00 0.00 H new ATOM 0 HD3 ARG A 6 -5.006 -3.320 6.179 1.00 0.00 H new ATOM 0 HE ARG A 6 -7.714 -2.580 6.228 1.00 0.00 H new ATOM 0 HH11 ARG A 6 -5.843 -5.465 5.401 1.00 0.00 H new ATOM 0 HH12 ARG A 6 -7.147 -6.569 5.851 1.00 0.00 H new ATOM 0 HH21 ARG A 6 -9.354 -3.993 6.820 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -9.130 -5.738 6.653 1.00 0.00 H new ATOM 80 N LEU A 7 -6.246 2.171 6.306 1.00 0.00 N ATOM 81 CA LEU A 7 -5.796 3.519 6.004 1.00 0.00 C ATOM 82 C LEU A 7 -4.324 3.488 5.611 1.00 0.00 C ATOM 83 O LEU A 7 -3.451 3.255 6.449 1.00 0.00 O ATOM 84 CB LEU A 7 -6.030 4.427 7.223 1.00 0.00 C ATOM 85 CG LEU A 7 -5.976 5.946 6.975 1.00 0.00 C ATOM 86 CD1 LEU A 7 -4.548 6.426 6.766 1.00 0.00 C ATOM 87 CD2 LEU A 7 -6.843 6.325 5.783 1.00 0.00 C ATOM 0 H LEU A 7 -5.941 1.821 7.214 1.00 0.00 H new ATOM 0 HA LEU A 7 -6.365 3.923 5.166 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -7.006 4.186 7.645 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -5.286 4.179 7.980 1.00 0.00 H new ATOM 0 HG LEU A 7 -6.367 6.440 7.864 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -4.547 7.502 6.594 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -3.955 6.200 7.652 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -4.117 5.920 5.902 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -6.792 7.402 5.624 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -6.483 5.809 4.893 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -7.876 6.036 5.978 1.00 0.00 H new ATOM 99 N TRP A 8 -4.070 3.700 4.331 1.00 0.00 N ATOM 100 CA TRP A 8 -2.719 3.698 3.788 1.00 0.00 C ATOM 101 C TRP A 8 -2.161 5.113 3.773 1.00 0.00 C ATOM 102 O TRP A 8 -2.903 6.069 3.567 1.00 0.00 O ATOM 103 CB TRP A 8 -2.722 3.138 2.360 1.00 0.00 C ATOM 104 CG TRP A 8 -3.247 1.738 2.260 1.00 0.00 C ATOM 105 CD1 TRP A 8 -4.540 1.339 2.415 1.00 0.00 C ATOM 106 CD2 TRP A 8 -2.492 0.558 1.971 1.00 0.00 C ATOM 107 NE1 TRP A 8 -4.639 -0.020 2.250 1.00 0.00 N ATOM 108 CE2 TRP A 8 -3.391 -0.523 1.973 1.00 0.00 C ATOM 109 CE3 TRP A 8 -1.142 0.312 1.710 1.00 0.00 C ATOM 110 CZ2 TRP A 8 -2.981 -1.832 1.727 1.00 0.00 C ATOM 111 CZ3 TRP A 8 -0.736 -0.984 1.465 1.00 0.00 C ATOM 112 CH2 TRP A 8 -1.652 -2.043 1.472 1.00 0.00 C ATOM 0 H TRP A 8 -4.795 3.879 3.636 1.00 0.00 H new ATOM 0 HA TRP A 8 -2.093 3.068 4.420 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -3.325 3.788 1.726 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.705 3.164 1.968 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -5.368 1.997 2.636 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -5.497 -0.566 2.321 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -0.428 1.122 1.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -3.686 -2.650 1.737 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 0.306 -1.185 1.264 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.304 -3.046 1.272 1.00 0.00 H new ATOM 123 N VAL A 9 -0.864 5.247 4.000 1.00 0.00 N ATOM 124 CA VAL A 9 -0.208 6.551 3.973 1.00 0.00 C ATOM 125 C VAL A 9 1.006 6.495 3.051 1.00 0.00 C ATOM 126 O VAL A 9 1.623 5.441 2.905 1.00 0.00 O ATOM 127 CB VAL A 9 0.247 6.982 5.387 1.00 0.00 C ATOM 128 CG1 VAL A 9 0.765 8.410 5.374 1.00 0.00 C ATOM 129 CG2 VAL A 9 -0.886 6.839 6.389 1.00 0.00 C ATOM 0 H VAL A 9 -0.240 4.467 4.206 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.927 7.282 3.604 1.00 0.00 H new ATOM 0 HB VAL A 9 1.059 6.323 5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.079 8.692 6.379 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.614 8.483 4.694 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -0.026 9.081 5.040 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -0.541 7.148 7.375 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.723 7.467 6.084 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.209 5.799 6.427 1.00 0.00 H new ATOM 139 N ASP A 10 1.334 7.610 2.401 1.00 0.00 N ATOM 140 CA ASP A 10 2.527 7.652 1.554 1.00 0.00 C ATOM 141 C ASP A 10 3.770 8.010 2.368 1.00 0.00 C ATOM 142 O ASP A 10 3.674 8.285 3.565 1.00 0.00 O ATOM 143 CB ASP A 10 2.365 8.650 0.408 1.00 0.00 C ATOM 144 CG ASP A 10 2.659 10.075 0.822 1.00 0.00 C ATOM 145 OD1 ASP A 10 1.760 10.735 1.363 1.00 0.00 O ATOM 146 OD2 ASP A 10 3.802 10.536 0.617 1.00 0.00 O ATOM 0 H ASP A 10 0.804 8.480 2.441 1.00 0.00 H new ATOM 0 HA ASP A 10 2.652 6.654 1.134 1.00 0.00 H new ATOM 0 HB2 ASP A 10 3.031 8.369 -0.408 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.347 8.592 0.023 1.00 0.00 H new ATOM 151 N ARG A 11 4.928 8.024 1.711 1.00 0.00 N ATOM 152 CA ARG A 11 6.202 8.293 2.378 1.00 0.00 C ATOM 153 C ARG A 11 6.203 9.613 3.144 1.00 0.00 C ATOM 154 O ARG A 11 6.654 9.679 4.289 1.00 0.00 O ATOM 155 CB ARG A 11 7.361 8.261 1.372 1.00 0.00 C ATOM 156 CG ARG A 11 6.998 8.688 -0.044 1.00 0.00 C ATOM 157 CD ARG A 11 6.978 10.198 -0.230 1.00 0.00 C ATOM 158 NE ARG A 11 8.318 10.783 -0.211 1.00 0.00 N ATOM 159 CZ ARG A 11 8.573 12.065 -0.463 1.00 0.00 C ATOM 160 NH1 ARG A 11 7.588 12.893 -0.796 1.00 0.00 N ATOM 161 NH2 ARG A 11 9.820 12.512 -0.406 1.00 0.00 N ATOM 0 H ARG A 11 5.011 7.851 0.709 1.00 0.00 H new ATOM 0 HA ARG A 11 6.341 7.499 3.111 1.00 0.00 H new ATOM 0 HB2 ARG A 11 8.157 8.909 1.738 1.00 0.00 H new ATOM 0 HB3 ARG A 11 7.764 7.249 1.338 1.00 0.00 H new ATOM 0 HG2 ARG A 11 7.713 8.252 -0.742 1.00 0.00 H new ATOM 0 HG3 ARG A 11 6.018 8.284 -0.298 1.00 0.00 H new ATOM 0 HD2 ARG A 11 6.494 10.438 -1.177 1.00 0.00 H new ATOM 0 HD3 ARG A 11 6.377 10.650 0.559 1.00 0.00 H new ATOM 0 HE ARG A 11 9.105 10.172 0.009 1.00 0.00 H new ATOM 0 HH11 ARG A 11 6.631 12.547 -0.860 1.00 0.00 H new ATOM 0 HH12 ARG A 11 7.790 13.874 -0.988 1.00 0.00 H new ATOM 0 HH21 ARG A 11 10.580 11.874 -0.170 1.00 0.00 H new ATOM 0 HH22 ARG A 11 10.019 13.494 -0.598 1.00 0.00 H new ATOM 175 N SER A 12 5.685 10.652 2.518 1.00 0.00 N ATOM 176 CA SER A 12 5.746 11.990 3.089 1.00 0.00 C ATOM 177 C SER A 12 4.592 12.238 4.049 1.00 0.00 C ATOM 178 O SER A 12 4.713 13.012 5.002 1.00 0.00 O ATOM 179 CB SER A 12 5.737 13.041 1.980 1.00 0.00 C ATOM 180 OG SER A 12 4.591 12.902 1.149 1.00 0.00 O ATOM 0 H SER A 12 5.216 10.599 1.614 1.00 0.00 H new ATOM 0 HA SER A 12 6.677 12.069 3.651 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.752 14.038 2.420 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.640 12.945 1.377 1.00 0.00 H new ATOM 0 HG SER A 12 4.609 12.025 0.711 1.00 0.00 H new ATOM 186 N GLY A 13 3.475 11.569 3.795 1.00 0.00 N ATOM 187 CA GLY A 13 2.283 11.800 4.577 1.00 0.00 C ATOM 188 C GLY A 13 1.382 12.821 3.923 1.00 0.00 C ATOM 189 O GLY A 13 0.524 13.417 4.576 1.00 0.00 O ATOM 0 H GLY A 13 3.376 10.870 3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 13 1.741 10.862 4.703 1.00 0.00 H new ATOM 0 HA3 GLY A 13 2.561 12.143 5.573 1.00 0.00 H new ATOM 193 N THR A 14 1.574 13.013 2.628 1.00 0.00 N ATOM 194 CA THR A 14 0.792 13.963 1.864 1.00 0.00 C ATOM 195 C THR A 14 -0.579 13.379 1.538 1.00 0.00 C ATOM 196 O THR A 14 -1.590 14.087 1.565 1.00 0.00 O ATOM 197 CB THR A 14 1.509 14.353 0.551 1.00 0.00 C ATOM 198 OG1 THR A 14 2.809 14.886 0.840 1.00 0.00 O ATOM 199 CG2 THR A 14 0.705 15.383 -0.232 1.00 0.00 C ATOM 0 H THR A 14 2.276 12.514 2.081 1.00 0.00 H new ATOM 0 HA THR A 14 0.673 14.859 2.474 1.00 0.00 H new ATOM 0 HB THR A 14 1.606 13.453 -0.056 1.00 0.00 H new ATOM 0 HG1 THR A 14 3.376 14.180 1.214 1.00 0.00 H new ATOM 0 HG21 THR A 14 1.235 15.637 -1.150 1.00 0.00 H new ATOM 0 HG22 THR A 14 -0.273 14.969 -0.480 1.00 0.00 H new ATOM 0 HG23 THR A 14 0.576 16.281 0.373 1.00 0.00 H new ATOM 207 N PHE A 15 -0.622 12.079 1.252 1.00 0.00 N ATOM 208 CA PHE A 15 -1.883 11.438 0.926 1.00 0.00 C ATOM 209 C PHE A 15 -2.081 10.135 1.680 1.00 0.00 C ATOM 210 O PHE A 15 -1.178 9.304 1.790 1.00 0.00 O ATOM 211 CB PHE A 15 -2.061 11.234 -0.589 1.00 0.00 C ATOM 212 CG PHE A 15 -0.951 10.492 -1.290 1.00 0.00 C ATOM 213 CD1 PHE A 15 0.120 11.184 -1.834 1.00 0.00 C ATOM 214 CD2 PHE A 15 -0.993 9.109 -1.434 1.00 0.00 C ATOM 215 CE1 PHE A 15 1.127 10.518 -2.505 1.00 0.00 C ATOM 216 CE2 PHE A 15 0.015 8.440 -2.101 1.00 0.00 C ATOM 217 CZ PHE A 15 1.076 9.145 -2.638 1.00 0.00 C ATOM 0 H PHE A 15 0.190 11.462 1.240 1.00 0.00 H new ATOM 0 HA PHE A 15 -2.662 12.125 1.255 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -2.994 10.695 -0.756 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -2.170 12.212 -1.057 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.168 12.258 -1.732 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -1.821 8.553 -1.020 1.00 0.00 H new ATOM 0 HE1 PHE A 15 1.954 11.071 -2.925 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -0.026 7.366 -2.203 1.00 0.00 H new ATOM 0 HZ PHE A 15 1.864 8.622 -3.161 1.00 0.00 H new ATOM 227 N LYS A 16 -3.276 9.998 2.229 1.00 0.00 N ATOM 228 CA LYS A 16 -3.683 8.785 2.909 1.00 0.00 C ATOM 229 C LYS A 16 -4.950 8.260 2.249 1.00 0.00 C ATOM 230 O LYS A 16 -5.792 9.048 1.816 1.00 0.00 O ATOM 231 CB LYS A 16 -3.940 9.056 4.394 1.00 0.00 C ATOM 232 CG LYS A 16 -2.918 9.982 5.037 1.00 0.00 C ATOM 233 CD LYS A 16 -3.158 10.137 6.532 1.00 0.00 C ATOM 234 CE LYS A 16 -4.607 10.482 6.850 1.00 0.00 C ATOM 235 NZ LYS A 16 -5.059 11.734 6.181 1.00 0.00 N ATOM 0 H LYS A 16 -3.990 10.726 2.215 1.00 0.00 H new ATOM 0 HA LYS A 16 -2.887 8.044 2.835 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -4.933 9.492 4.507 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -3.945 8.107 4.931 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.915 9.590 4.869 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.962 10.960 4.558 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -2.887 9.211 7.040 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -2.506 10.918 6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.249 9.657 6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.723 10.589 7.929 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.046 11.932 6.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.455 12.526 6.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.992 11.620 5.149 1.00 0.00 H new ATOM 249 N VAL A 17 -5.085 6.948 2.157 1.00 0.00 N ATOM 250 CA VAL A 17 -6.220 6.360 1.459 1.00 0.00 C ATOM 251 C VAL A 17 -6.808 5.170 2.198 1.00 0.00 C ATOM 252 O VAL A 17 -6.087 4.308 2.686 1.00 0.00 O ATOM 253 CB VAL A 17 -5.857 5.912 0.028 1.00 0.00 C ATOM 254 CG1 VAL A 17 -6.435 6.883 -0.981 1.00 0.00 C ATOM 255 CG2 VAL A 17 -4.349 5.778 -0.150 1.00 0.00 C ATOM 0 H VAL A 17 -4.430 6.273 2.552 1.00 0.00 H new ATOM 0 HA VAL A 17 -6.965 7.155 1.414 1.00 0.00 H new ATOM 0 HB VAL A 17 -6.292 4.927 -0.141 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -6.174 6.559 -1.988 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.520 6.911 -0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -6.028 7.878 -0.803 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -4.130 5.461 -1.170 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -3.873 6.740 0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -3.964 5.037 0.551 1.00 0.00 H new ATOM 265 N ASP A 18 -8.129 5.139 2.265 1.00 0.00 N ATOM 266 CA ASP A 18 -8.850 4.004 2.821 1.00 0.00 C ATOM 267 C ASP A 18 -9.062 2.968 1.747 1.00 0.00 C ATOM 268 O ASP A 18 -9.899 3.118 0.862 1.00 0.00 O ATOM 269 CB ASP A 18 -10.193 4.442 3.392 1.00 0.00 C ATOM 270 CG ASP A 18 -11.045 5.189 2.374 1.00 0.00 C ATOM 271 OD1 ASP A 18 -10.595 6.241 1.863 1.00 0.00 O ATOM 272 OD2 ASP A 18 -12.152 4.707 2.046 1.00 0.00 O ATOM 0 H ASP A 18 -8.730 5.895 1.938 1.00 0.00 H new ATOM 0 HA ASP A 18 -8.258 3.577 3.630 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -10.738 3.566 3.743 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.024 5.081 4.259 1.00 0.00 H new ATOM 277 N ALA A 19 -8.308 1.914 1.828 1.00 0.00 N ATOM 278 CA ALA A 19 -8.292 0.944 0.756 1.00 0.00 C ATOM 279 C ALA A 19 -7.853 -0.427 1.227 1.00 0.00 C ATOM 280 O ALA A 19 -7.283 -0.586 2.307 1.00 0.00 O ATOM 281 CB ALA A 19 -7.384 1.435 -0.358 1.00 0.00 C ATOM 0 H ALA A 19 -7.697 1.697 2.616 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.312 0.840 0.385 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -7.372 0.704 -1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -7.755 2.388 -0.736 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.373 1.566 0.028 1.00 0.00 H new ATOM 287 N GLU A 20 -8.158 -1.414 0.412 1.00 0.00 N ATOM 288 CA GLU A 20 -7.681 -2.764 0.616 1.00 0.00 C ATOM 289 C GLU A 20 -6.841 -3.173 -0.579 1.00 0.00 C ATOM 290 O GLU A 20 -7.178 -2.839 -1.720 1.00 0.00 O ATOM 291 CB GLU A 20 -8.861 -3.723 0.786 1.00 0.00 C ATOM 292 CG GLU A 20 -8.835 -4.499 2.093 1.00 0.00 C ATOM 293 CD GLU A 20 -7.694 -5.495 2.183 1.00 0.00 C ATOM 294 OE1 GLU A 20 -6.521 -5.075 2.132 1.00 0.00 O ATOM 295 OE2 GLU A 20 -7.969 -6.708 2.335 1.00 0.00 O ATOM 0 H GLU A 20 -8.746 -1.302 -0.414 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.075 -2.805 1.521 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -9.790 -3.156 0.729 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -8.867 -4.428 -0.045 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -8.759 -3.796 2.922 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -9.780 -5.029 2.210 1.00 0.00 H new ATOM 302 N PHE A 21 -5.741 -3.863 -0.317 1.00 0.00 N ATOM 303 CA PHE A 21 -4.874 -4.344 -1.380 1.00 0.00 C ATOM 304 C PHE A 21 -5.586 -5.430 -2.162 1.00 0.00 C ATOM 305 O PHE A 21 -6.164 -6.353 -1.588 1.00 0.00 O ATOM 306 CB PHE A 21 -3.554 -4.877 -0.818 1.00 0.00 C ATOM 307 CG PHE A 21 -2.719 -5.645 -1.823 1.00 0.00 C ATOM 308 CD1 PHE A 21 -2.904 -7.012 -1.976 1.00 0.00 C ATOM 309 CD2 PHE A 21 -1.756 -5.020 -2.606 1.00 0.00 C ATOM 310 CE1 PHE A 21 -2.159 -7.734 -2.885 1.00 0.00 C ATOM 311 CE2 PHE A 21 -1.010 -5.742 -3.515 1.00 0.00 C ATOM 312 CZ PHE A 21 -1.210 -7.099 -3.653 1.00 0.00 C ATOM 0 H PHE A 21 -5.428 -4.102 0.624 1.00 0.00 H new ATOM 0 HA PHE A 21 -4.642 -3.510 -2.042 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -2.968 -4.039 -0.439 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -3.769 -5.526 0.031 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -3.643 -7.519 -1.373 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -1.590 -3.958 -2.502 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -2.320 -8.796 -2.994 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -0.268 -5.243 -4.120 1.00 0.00 H new ATOM 0 HZ PHE A 21 -0.623 -7.663 -4.363 1.00 0.00 H new ATOM 322 N ILE A 22 -5.544 -5.306 -3.469 1.00 0.00 N ATOM 323 CA ILE A 22 -6.192 -6.266 -4.342 1.00 0.00 C ATOM 324 C ILE A 22 -5.152 -7.027 -5.149 1.00 0.00 C ATOM 325 O ILE A 22 -5.172 -8.255 -5.224 1.00 0.00 O ATOM 326 CB ILE A 22 -7.160 -5.575 -5.324 1.00 0.00 C ATOM 327 CG1 ILE A 22 -7.497 -4.155 -4.865 1.00 0.00 C ATOM 328 CG2 ILE A 22 -8.437 -6.384 -5.459 1.00 0.00 C ATOM 329 CD1 ILE A 22 -8.321 -3.380 -5.873 1.00 0.00 C ATOM 0 H ILE A 22 -5.066 -4.547 -3.955 1.00 0.00 H new ATOM 0 HA ILE A 22 -6.756 -6.950 -3.708 1.00 0.00 H new ATOM 0 HB ILE A 22 -6.664 -5.515 -6.293 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -8.042 -4.205 -3.922 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -6.571 -3.614 -4.670 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -9.112 -5.885 -6.155 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -8.199 -7.379 -5.834 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -8.919 -6.469 -4.485 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -8.525 -2.382 -5.486 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -7.769 -3.300 -6.810 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -9.263 -3.900 -6.050 1.00 0.00 H new ATOM 341 N GLY A 23 -4.242 -6.276 -5.747 1.00 0.00 N ATOM 342 CA GLY A 23 -3.192 -6.856 -6.553 1.00 0.00 C ATOM 343 C GLY A 23 -2.052 -5.881 -6.733 1.00 0.00 C ATOM 344 O GLY A 23 -2.245 -4.676 -6.592 1.00 0.00 O ATOM 0 H GLY A 23 -4.214 -5.258 -5.686 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.826 -7.767 -6.080 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -3.590 -7.140 -7.527 1.00 0.00 H new ATOM 348 N CYS A 24 -0.872 -6.382 -7.033 1.00 0.00 N ATOM 349 CA CYS A 24 0.296 -5.527 -7.165 1.00 0.00 C ATOM 350 C CYS A 24 0.816 -5.598 -8.603 1.00 0.00 C ATOM 351 O CYS A 24 0.797 -6.668 -9.213 1.00 0.00 O ATOM 352 CB CYS A 24 1.368 -5.966 -6.160 1.00 0.00 C ATOM 353 SG CYS A 24 2.184 -7.525 -6.578 1.00 0.00 S ATOM 0 H CYS A 24 -0.693 -7.374 -7.190 1.00 0.00 H new ATOM 0 HA CYS A 24 0.032 -4.492 -6.948 1.00 0.00 H new ATOM 0 HB2 CYS A 24 2.122 -5.183 -6.086 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.910 -6.062 -5.176 1.00 0.00 H new ATOM 0 HG CYS A 24 1.969 -7.806 -7.829 1.00 0.00 H new ATOM 359 N ALA A 25 1.258 -4.474 -9.162 1.00 0.00 N ATOM 360 CA ALA A 25 1.648 -4.448 -10.562 1.00 0.00 C ATOM 361 C ALA A 25 2.958 -3.708 -10.752 1.00 0.00 C ATOM 362 O ALA A 25 3.006 -2.476 -10.659 1.00 0.00 O ATOM 363 CB ALA A 25 0.552 -3.813 -11.403 1.00 0.00 C ATOM 0 H ALA A 25 1.353 -3.584 -8.673 1.00 0.00 H new ATOM 0 HA ALA A 25 1.793 -5.477 -10.892 1.00 0.00 H new ATOM 0 HB1 ALA A 25 0.858 -3.800 -12.449 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -0.366 -4.391 -11.300 1.00 0.00 H new ATOM 0 HB3 ALA A 25 0.378 -2.792 -11.063 1.00 0.00 H new ATOM 369 N LYS A 26 4.019 -4.468 -10.998 1.00 0.00 N ATOM 370 CA LYS A 26 5.340 -3.905 -11.242 1.00 0.00 C ATOM 371 C LYS A 26 5.774 -3.077 -10.035 1.00 0.00 C ATOM 372 O LYS A 26 6.315 -1.977 -10.160 1.00 0.00 O ATOM 373 CB LYS A 26 5.328 -3.067 -12.530 1.00 0.00 C ATOM 374 CG LYS A 26 6.698 -2.593 -12.989 1.00 0.00 C ATOM 375 CD LYS A 26 7.660 -3.750 -13.196 1.00 0.00 C ATOM 376 CE LYS A 26 7.178 -4.711 -14.274 1.00 0.00 C ATOM 377 NZ LYS A 26 8.137 -5.828 -14.483 1.00 0.00 N ATOM 0 H LYS A 26 3.988 -5.487 -11.034 1.00 0.00 H new ATOM 0 HA LYS A 26 6.063 -4.709 -11.380 1.00 0.00 H new ATOM 0 HB2 LYS A 26 4.876 -3.657 -13.327 1.00 0.00 H new ATOM 0 HB3 LYS A 26 4.690 -2.197 -12.376 1.00 0.00 H new ATOM 0 HG2 LYS A 26 6.596 -2.036 -13.920 1.00 0.00 H new ATOM 0 HG3 LYS A 26 7.111 -1.906 -12.250 1.00 0.00 H new ATOM 0 HD2 LYS A 26 8.640 -3.361 -13.470 1.00 0.00 H new ATOM 0 HD3 LYS A 26 7.783 -4.291 -12.258 1.00 0.00 H new ATOM 0 HE2 LYS A 26 6.205 -5.114 -13.993 1.00 0.00 H new ATOM 0 HE3 LYS A 26 7.041 -4.169 -15.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 7.775 -6.462 -15.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 9.059 -5.444 -14.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 8.249 -6.360 -13.596 1.00 0.00 H new ATOM 391 N GLY A 27 5.502 -3.614 -8.857 1.00 0.00 N ATOM 392 CA GLY A 27 5.881 -2.946 -7.635 1.00 0.00 C ATOM 393 C GLY A 27 4.783 -2.059 -7.080 1.00 0.00 C ATOM 394 O GLY A 27 4.808 -1.713 -5.902 1.00 0.00 O ATOM 0 H GLY A 27 5.023 -4.505 -8.727 1.00 0.00 H new ATOM 0 HA2 GLY A 27 6.150 -3.692 -6.888 1.00 0.00 H new ATOM 0 HA3 GLY A 27 6.770 -2.343 -7.818 1.00 0.00 H new ATOM 398 N LYS A 28 3.816 -1.686 -7.915 1.00 0.00 N ATOM 399 CA LYS A 28 2.760 -0.788 -7.468 1.00 0.00 C ATOM 400 C LYS A 28 1.606 -1.578 -6.884 1.00 0.00 C ATOM 401 O LYS A 28 1.488 -2.779 -7.106 1.00 0.00 O ATOM 402 CB LYS A 28 2.271 0.099 -8.612 1.00 0.00 C ATOM 403 CG LYS A 28 1.078 -0.437 -9.372 1.00 0.00 C ATOM 404 CD LYS A 28 0.602 0.569 -10.405 1.00 0.00 C ATOM 405 CE LYS A 28 1.692 0.905 -11.417 1.00 0.00 C ATOM 406 NZ LYS A 28 2.139 -0.294 -12.179 1.00 0.00 N ATOM 0 H LYS A 28 3.743 -1.986 -8.887 1.00 0.00 H new ATOM 0 HA LYS A 28 3.173 -0.143 -6.692 1.00 0.00 H new ATOM 0 HB2 LYS A 28 2.015 1.079 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.092 0.248 -9.313 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.345 -1.372 -9.864 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.269 -0.662 -8.677 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -0.267 0.169 -10.927 1.00 0.00 H new ATOM 0 HD3 LYS A 28 0.280 1.481 -9.902 1.00 0.00 H new ATOM 0 HE2 LYS A 28 1.321 1.658 -12.112 1.00 0.00 H new ATOM 0 HE3 LYS A 28 2.545 1.343 -10.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 2.818 -0.006 -12.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.595 -0.967 -11.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.317 -0.747 -12.627 1.00 0.00 H new ATOM 420 N ILE A 29 0.755 -0.892 -6.155 1.00 0.00 N ATOM 421 CA ILE A 29 -0.331 -1.526 -5.445 1.00 0.00 C ATOM 422 C ILE A 29 -1.682 -1.074 -5.990 1.00 0.00 C ATOM 423 O ILE A 29 -1.942 0.124 -6.104 1.00 0.00 O ATOM 424 CB ILE A 29 -0.242 -1.178 -3.948 1.00 0.00 C ATOM 425 CG1 ILE A 29 1.121 -1.598 -3.398 1.00 0.00 C ATOM 426 CG2 ILE A 29 -1.360 -1.852 -3.173 1.00 0.00 C ATOM 427 CD1 ILE A 29 1.459 -0.981 -2.060 1.00 0.00 C ATOM 0 H ILE A 29 0.797 0.120 -6.038 1.00 0.00 H new ATOM 0 HA ILE A 29 -0.246 -2.604 -5.583 1.00 0.00 H new ATOM 0 HB ILE A 29 -0.353 -0.100 -3.831 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.144 -2.684 -3.303 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.892 -1.325 -4.118 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -1.279 -1.593 -2.117 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -2.323 -1.515 -3.556 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -1.282 -2.933 -3.288 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.441 -1.328 -1.737 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.470 0.105 -2.152 1.00 0.00 H new ATOM 0 HD13 ILE A 29 0.710 -1.275 -1.324 1.00 0.00 H new ATOM 439 N HIS A 30 -2.528 -2.028 -6.353 1.00 0.00 N ATOM 440 CA HIS A 30 -3.917 -1.722 -6.663 1.00 0.00 C ATOM 441 C HIS A 30 -4.708 -1.738 -5.377 1.00 0.00 C ATOM 442 O HIS A 30 -4.661 -2.716 -4.623 1.00 0.00 O ATOM 443 CB HIS A 30 -4.548 -2.722 -7.637 1.00 0.00 C ATOM 444 CG HIS A 30 -3.963 -2.721 -9.017 1.00 0.00 C ATOM 445 ND1 HIS A 30 -4.431 -1.912 -10.026 1.00 0.00 N ATOM 446 CD2 HIS A 30 -2.972 -3.461 -9.563 1.00 0.00 C ATOM 447 CE1 HIS A 30 -3.759 -2.154 -11.131 1.00 0.00 C ATOM 448 NE2 HIS A 30 -2.864 -3.093 -10.883 1.00 0.00 N ATOM 0 H HIS A 30 -2.279 -3.013 -6.440 1.00 0.00 H new ATOM 0 HA HIS A 30 -3.938 -0.744 -7.143 1.00 0.00 H new ATOM 0 HB2 HIS A 30 -4.451 -3.724 -7.219 1.00 0.00 H new ATOM 0 HB3 HIS A 30 -5.615 -2.510 -7.711 1.00 0.00 H new ATOM 0 HD1 HIS A 30 -5.183 -1.230 -9.932 1.00 0.00 H new ATOM 0 HD2 HIS A 30 -2.375 -4.204 -9.056 1.00 0.00 H new ATOM 0 HE1 HIS A 30 -3.914 -1.666 -12.082 1.00 0.00 H new ATOM 457 N LEU A 31 -5.426 -0.671 -5.133 1.00 0.00 N ATOM 458 CA LEU A 31 -6.163 -0.527 -3.895 1.00 0.00 C ATOM 459 C LEU A 31 -7.622 -0.241 -4.166 1.00 0.00 C ATOM 460 O LEU A 31 -7.966 0.543 -5.050 1.00 0.00 O ATOM 461 CB LEU A 31 -5.570 0.595 -3.044 1.00 0.00 C ATOM 462 CG LEU A 31 -4.159 0.345 -2.517 1.00 0.00 C ATOM 463 CD1 LEU A 31 -3.603 1.598 -1.861 1.00 0.00 C ATOM 464 CD2 LEU A 31 -4.168 -0.806 -1.525 1.00 0.00 C ATOM 0 H LEU A 31 -5.518 0.116 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.085 -1.468 -3.350 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.561 1.510 -3.636 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.230 0.771 -2.195 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.517 0.082 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -2.597 1.400 -1.492 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -3.569 2.406 -2.591 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.244 1.888 -1.029 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -3.157 -0.976 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -4.823 -0.561 -0.689 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.530 -1.708 -2.018 1.00 0.00 H new ATOM 476 N HIS A 32 -8.473 -0.887 -3.402 1.00 0.00 N ATOM 477 CA HIS A 32 -9.900 -0.679 -3.515 1.00 0.00 C ATOM 478 C HIS A 32 -10.384 0.134 -2.326 1.00 0.00 C ATOM 479 O HIS A 32 -10.373 -0.353 -1.196 1.00 0.00 O ATOM 480 CB HIS A 32 -10.629 -2.026 -3.592 1.00 0.00 C ATOM 481 CG HIS A 32 -12.119 -1.912 -3.713 1.00 0.00 C ATOM 482 ND1 HIS A 32 -12.986 -2.272 -2.707 1.00 0.00 N ATOM 483 CD2 HIS A 32 -12.892 -1.495 -4.742 1.00 0.00 C ATOM 484 CE1 HIS A 32 -14.228 -2.088 -3.112 1.00 0.00 C ATOM 485 NE2 HIS A 32 -14.201 -1.617 -4.345 1.00 0.00 N ATOM 0 H HIS A 32 -8.200 -1.565 -2.691 1.00 0.00 H new ATOM 0 HA HIS A 32 -10.118 -0.129 -4.430 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -10.248 -2.584 -4.447 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -10.391 -2.607 -2.701 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -12.544 -1.133 -5.698 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -15.117 -2.289 -2.533 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -15.018 -1.382 -4.910 1.00 0.00 H new ATOM 494 N LYS A 33 -10.769 1.380 -2.589 1.00 0.00 N ATOM 495 CA LYS A 33 -11.275 2.268 -1.554 1.00 0.00 C ATOM 496 C LYS A 33 -12.487 1.645 -0.886 1.00 0.00 C ATOM 497 O LYS A 33 -13.231 0.885 -1.511 1.00 0.00 O ATOM 498 CB LYS A 33 -11.697 3.623 -2.141 1.00 0.00 C ATOM 499 CG LYS A 33 -10.696 4.267 -3.089 1.00 0.00 C ATOM 500 CD LYS A 33 -9.307 4.413 -2.485 1.00 0.00 C ATOM 501 CE LYS A 33 -9.313 5.166 -1.161 1.00 0.00 C ATOM 502 NZ LYS A 33 -10.099 6.427 -1.198 1.00 0.00 N ATOM 0 H LYS A 33 -10.738 1.797 -3.519 1.00 0.00 H new ATOM 0 HA LYS A 33 -10.473 2.421 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -12.640 3.492 -2.671 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -11.887 4.312 -1.318 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -10.629 3.669 -3.998 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -11.063 5.251 -3.381 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -8.877 3.423 -2.332 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -8.662 4.935 -3.192 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -9.719 4.517 -0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -8.286 5.396 -0.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -9.650 7.134 -0.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -10.131 6.788 -2.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -11.067 6.243 -0.866 1.00 0.00 H new ATOM 516 N ALA A 34 -12.700 1.995 0.372 1.00 0.00 N ATOM 517 CA ALA A 34 -13.836 1.488 1.126 1.00 0.00 C ATOM 518 C ALA A 34 -15.145 2.019 0.548 1.00 0.00 C ATOM 519 O ALA A 34 -16.221 1.499 0.838 1.00 0.00 O ATOM 520 CB ALA A 34 -13.705 1.866 2.593 1.00 0.00 C ATOM 0 H ALA A 34 -12.098 2.631 0.895 1.00 0.00 H new ATOM 0 HA ALA A 34 -13.847 0.401 1.048 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -14.562 1.481 3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.789 1.438 2.999 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.671 2.951 2.687 1.00 0.00 H new ATOM 526 N ASN A 35 -15.036 3.062 -0.271 1.00 0.00 N ATOM 527 CA ASN A 35 -16.198 3.668 -0.913 1.00 0.00 C ATOM 528 C ASN A 35 -16.491 3.006 -2.267 1.00 0.00 C ATOM 529 O ASN A 35 -17.504 3.296 -2.906 1.00 0.00 O ATOM 530 CB ASN A 35 -15.974 5.173 -1.096 1.00 0.00 C ATOM 531 CG ASN A 35 -17.247 5.906 -1.478 1.00 0.00 C ATOM 532 OD1 ASN A 35 -18.343 5.529 -1.067 1.00 0.00 O ATOM 533 ND2 ASN A 35 -17.119 6.961 -2.262 1.00 0.00 N ATOM 0 H ASN A 35 -14.149 3.507 -0.506 1.00 0.00 H new ATOM 0 HA ASN A 35 -17.062 3.512 -0.267 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -15.579 5.594 -0.171 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -15.220 5.334 -1.867 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -17.944 7.490 -2.544 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -16.195 7.247 -2.585 1.00 0.00 H new ATOM 540 N GLY A 36 -15.602 2.125 -2.711 1.00 0.00 N ATOM 541 CA GLY A 36 -15.853 1.386 -3.936 1.00 0.00 C ATOM 542 C GLY A 36 -14.884 1.716 -5.058 1.00 0.00 C ATOM 543 O GLY A 36 -14.687 0.908 -5.964 1.00 0.00 O ATOM 0 H GLY A 36 -14.718 1.910 -2.250 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -15.799 0.318 -3.723 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -16.869 1.593 -4.273 1.00 0.00 H new ATOM 547 N VAL A 37 -14.278 2.894 -5.003 1.00 0.00 N ATOM 548 CA VAL A 37 -13.350 3.328 -6.050 1.00 0.00 C ATOM 549 C VAL A 37 -12.083 2.471 -6.045 1.00 0.00 C ATOM 550 O VAL A 37 -11.638 2.017 -4.994 1.00 0.00 O ATOM 551 CB VAL A 37 -12.964 4.817 -5.868 1.00 0.00 C ATOM 552 CG1 VAL A 37 -12.115 5.314 -7.031 1.00 0.00 C ATOM 553 CG2 VAL A 37 -14.210 5.675 -5.712 1.00 0.00 C ATOM 0 H VAL A 37 -14.409 3.568 -4.249 1.00 0.00 H new ATOM 0 HA VAL A 37 -13.858 3.208 -7.007 1.00 0.00 H new ATOM 0 HB VAL A 37 -12.367 4.900 -4.959 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -11.860 6.362 -6.874 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -11.201 4.724 -7.092 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -12.676 5.212 -7.960 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -13.920 6.718 -5.585 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -14.833 5.577 -6.601 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -14.771 5.346 -4.838 1.00 0.00 H new ATOM 563 N LYS A 38 -11.514 2.229 -7.216 1.00 0.00 N ATOM 564 CA LYS A 38 -10.267 1.486 -7.311 1.00 0.00 C ATOM 565 C LYS A 38 -9.145 2.400 -7.790 1.00 0.00 C ATOM 566 O LYS A 38 -9.294 3.116 -8.781 1.00 0.00 O ATOM 567 CB LYS A 38 -10.422 0.297 -8.262 1.00 0.00 C ATOM 568 CG LYS A 38 -9.212 -0.620 -8.289 1.00 0.00 C ATOM 569 CD LYS A 38 -9.414 -1.788 -9.240 1.00 0.00 C ATOM 570 CE LYS A 38 -9.558 -1.327 -10.681 1.00 0.00 C ATOM 571 NZ LYS A 38 -9.666 -2.477 -11.617 1.00 0.00 N ATOM 0 H LYS A 38 -11.895 2.535 -8.111 1.00 0.00 H new ATOM 0 HA LYS A 38 -10.014 1.107 -6.321 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.299 -0.280 -7.969 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.608 0.670 -9.269 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.332 -0.053 -8.591 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.019 -0.997 -7.285 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.569 -2.471 -9.160 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -10.303 -2.345 -8.947 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.442 -0.697 -10.775 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.699 -0.714 -10.955 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.763 -2.124 -12.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.811 -3.065 -11.545 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.500 -3.048 -11.371 1.00 0.00 H new ATOM 585 N ILE A 39 -8.031 2.375 -7.078 1.00 0.00 N ATOM 586 CA ILE A 39 -6.893 3.228 -7.399 1.00 0.00 C ATOM 587 C ILE A 39 -5.629 2.390 -7.557 1.00 0.00 C ATOM 588 O ILE A 39 -5.602 1.218 -7.177 1.00 0.00 O ATOM 589 CB ILE A 39 -6.642 4.297 -6.305 1.00 0.00 C ATOM 590 CG1 ILE A 39 -6.156 3.642 -5.004 1.00 0.00 C ATOM 591 CG2 ILE A 39 -7.900 5.119 -6.053 1.00 0.00 C ATOM 592 CD1 ILE A 39 -5.910 4.626 -3.878 1.00 0.00 C ATOM 0 H ILE A 39 -7.888 1.771 -6.269 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.132 3.734 -8.334 1.00 0.00 H new ATOM 0 HB ILE A 39 -5.861 4.968 -6.662 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -6.895 2.910 -4.679 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -5.234 3.097 -5.205 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -7.700 5.863 -5.282 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.197 5.622 -6.974 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.704 4.461 -5.723 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.569 4.089 -2.993 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -5.148 5.344 -4.182 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -6.835 5.154 -3.648 1.00 0.00 H new ATOM 604 N ALA A 40 -4.596 2.986 -8.129 1.00 0.00 N ATOM 605 CA ALA A 40 -3.291 2.351 -8.211 1.00 0.00 C ATOM 606 C ALA A 40 -2.237 3.279 -7.635 1.00 0.00 C ATOM 607 O ALA A 40 -2.103 4.424 -8.068 1.00 0.00 O ATOM 608 CB ALA A 40 -2.951 1.979 -9.646 1.00 0.00 C ATOM 0 H ALA A 40 -4.637 3.916 -8.546 1.00 0.00 H new ATOM 0 HA ALA A 40 -3.314 1.430 -7.629 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -1.969 1.506 -9.676 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.700 1.286 -10.029 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -2.940 2.878 -10.262 1.00 0.00 H new ATOM 614 N VAL A 41 -1.500 2.780 -6.663 1.00 0.00 N ATOM 615 CA VAL A 41 -0.519 3.575 -5.950 1.00 0.00 C ATOM 616 C VAL A 41 0.802 2.826 -5.906 1.00 0.00 C ATOM 617 O VAL A 41 0.866 1.702 -5.411 1.00 0.00 O ATOM 618 CB VAL A 41 -0.990 3.891 -4.508 1.00 0.00 C ATOM 619 CG1 VAL A 41 0.100 4.588 -3.713 1.00 0.00 C ATOM 620 CG2 VAL A 41 -2.246 4.748 -4.527 1.00 0.00 C ATOM 0 H VAL A 41 -1.564 1.813 -6.345 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.394 4.520 -6.478 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.217 2.942 -4.022 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.261 4.796 -2.706 1.00 0.00 H new ATOM 0 HG12 VAL A 41 0.978 3.945 -3.658 1.00 0.00 H new ATOM 0 HG13 VAL A 41 0.366 5.524 -4.204 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.559 4.958 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.039 5.686 -5.043 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.042 4.216 -5.048 1.00 0.00 H new ATOM 630 N ALA A 42 1.844 3.428 -6.456 1.00 0.00 N ATOM 631 CA ALA A 42 3.154 2.811 -6.452 1.00 0.00 C ATOM 632 C ALA A 42 3.674 2.711 -5.020 1.00 0.00 C ATOM 633 O ALA A 42 3.683 3.699 -4.285 1.00 0.00 O ATOM 634 CB ALA A 42 4.112 3.610 -7.322 1.00 0.00 C ATOM 0 H ALA A 42 1.805 4.341 -6.909 1.00 0.00 H new ATOM 0 HA ALA A 42 3.079 1.805 -6.864 1.00 0.00 H new ATOM 0 HB1 ALA A 42 5.094 3.137 -7.311 1.00 0.00 H new ATOM 0 HB2 ALA A 42 3.735 3.641 -8.344 1.00 0.00 H new ATOM 0 HB3 ALA A 42 4.195 4.625 -6.935 1.00 0.00 H new ATOM 640 N ALA A 43 4.114 1.519 -4.640 1.00 0.00 N ATOM 641 CA ALA A 43 4.504 1.235 -3.260 1.00 0.00 C ATOM 642 C ALA A 43 5.780 1.968 -2.876 1.00 0.00 C ATOM 643 O ALA A 43 6.080 2.142 -1.700 1.00 0.00 O ATOM 644 CB ALA A 43 4.693 -0.260 -3.072 1.00 0.00 C ATOM 0 H ALA A 43 4.211 0.725 -5.273 1.00 0.00 H new ATOM 0 HA ALA A 43 3.705 1.589 -2.609 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.983 -0.463 -2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 43 3.759 -0.776 -3.294 1.00 0.00 H new ATOM 0 HB3 ALA A 43 5.473 -0.616 -3.746 1.00 0.00 H new ATOM 650 N ASP A 44 6.512 2.404 -3.881 1.00 0.00 N ATOM 651 CA ASP A 44 7.816 3.030 -3.663 1.00 0.00 C ATOM 652 C ASP A 44 7.689 4.425 -3.075 1.00 0.00 C ATOM 653 O ASP A 44 8.604 4.908 -2.415 1.00 0.00 O ATOM 654 CB ASP A 44 8.639 3.097 -4.949 1.00 0.00 C ATOM 655 CG ASP A 44 7.928 3.804 -6.080 1.00 0.00 C ATOM 656 OD1 ASP A 44 7.948 5.050 -6.121 1.00 0.00 O ATOM 657 OD2 ASP A 44 7.350 3.114 -6.942 1.00 0.00 O ATOM 0 H ASP A 44 6.233 2.340 -4.860 1.00 0.00 H new ATOM 0 HA ASP A 44 8.335 2.395 -2.945 1.00 0.00 H new ATOM 0 HB2 ASP A 44 9.579 3.609 -4.744 1.00 0.00 H new ATOM 0 HB3 ASP A 44 8.890 2.084 -5.264 1.00 0.00 H new ATOM 662 N LYS A 45 6.567 5.082 -3.314 1.00 0.00 N ATOM 663 CA LYS A 45 6.344 6.387 -2.720 1.00 0.00 C ATOM 664 C LYS A 45 5.305 6.286 -1.615 1.00 0.00 C ATOM 665 O LYS A 45 4.586 7.237 -1.314 1.00 0.00 O ATOM 666 CB LYS A 45 5.969 7.429 -3.787 1.00 0.00 C ATOM 667 CG LYS A 45 4.939 6.967 -4.806 1.00 0.00 C ATOM 668 CD LYS A 45 3.522 7.049 -4.270 1.00 0.00 C ATOM 669 CE LYS A 45 2.509 6.659 -5.332 1.00 0.00 C ATOM 670 NZ LYS A 45 2.526 7.585 -6.498 1.00 0.00 N ATOM 0 H LYS A 45 5.809 4.740 -3.905 1.00 0.00 H new ATOM 0 HA LYS A 45 7.273 6.733 -2.268 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.588 8.319 -3.286 1.00 0.00 H new ATOM 0 HB3 LYS A 45 6.874 7.725 -4.317 1.00 0.00 H new ATOM 0 HG2 LYS A 45 5.021 7.578 -5.705 1.00 0.00 H new ATOM 0 HG3 LYS A 45 5.156 5.939 -5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 45 3.419 6.392 -3.406 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.319 8.063 -3.925 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.716 5.645 -5.673 1.00 0.00 H new ATOM 0 HE3 LYS A 45 1.511 6.650 -4.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 1.668 7.441 -7.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 2.557 8.568 -6.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 3.365 7.393 -7.081 1.00 0.00 H new ATOM 684 N LEU A 46 5.256 5.114 -1.001 1.00 0.00 N ATOM 685 CA LEU A 46 4.317 4.832 0.065 1.00 0.00 C ATOM 686 C LEU A 46 5.052 4.742 1.408 1.00 0.00 C ATOM 687 O LEU A 46 6.280 4.821 1.456 1.00 0.00 O ATOM 688 CB LEU A 46 3.633 3.514 -0.262 1.00 0.00 C ATOM 689 CG LEU A 46 2.229 3.315 0.287 1.00 0.00 C ATOM 690 CD1 LEU A 46 1.299 4.432 -0.175 1.00 0.00 C ATOM 691 CD2 LEU A 46 1.727 1.971 -0.186 1.00 0.00 C ATOM 0 H LEU A 46 5.869 4.332 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 46 3.578 5.629 0.147 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.591 3.413 -1.347 1.00 0.00 H new ATOM 0 HB3 LEU A 46 4.261 2.704 0.109 1.00 0.00 H new ATOM 0 HG LEU A 46 2.250 3.344 1.376 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.301 4.266 0.231 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.679 5.391 0.177 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.251 4.438 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 46 0.720 1.804 0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 46 1.710 1.952 -1.276 1.00 0.00 H new ATOM 0 HD23 LEU A 46 2.388 1.186 0.181 1.00 0.00 H new ATOM 703 N SER A 47 4.297 4.599 2.491 1.00 0.00 N ATOM 704 CA SER A 47 4.875 4.495 3.825 1.00 0.00 C ATOM 705 C SER A 47 5.378 3.081 4.087 1.00 0.00 C ATOM 706 O SER A 47 4.739 2.087 3.738 1.00 0.00 O ATOM 707 CB SER A 47 3.839 4.913 4.875 1.00 0.00 C ATOM 708 OG SER A 47 4.356 4.811 6.193 1.00 0.00 O ATOM 0 H SER A 47 3.278 4.552 2.471 1.00 0.00 H new ATOM 0 HA SER A 47 5.730 5.168 3.892 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.523 5.939 4.686 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.953 4.285 4.782 1.00 0.00 H new ATOM 0 HG SER A 47 3.670 5.087 6.836 1.00 0.00 H new ATOM 714 N ASN A 48 6.557 3.031 4.707 1.00 0.00 N ATOM 715 CA ASN A 48 7.275 1.790 4.988 1.00 0.00 C ATOM 716 C ASN A 48 6.392 0.776 5.682 1.00 0.00 C ATOM 717 O ASN A 48 6.453 -0.413 5.389 1.00 0.00 O ATOM 718 CB ASN A 48 8.462 2.057 5.907 1.00 0.00 C ATOM 719 CG ASN A 48 9.499 3.006 5.329 1.00 0.00 C ATOM 720 OD1 ASN A 48 9.192 3.865 4.500 1.00 0.00 O ATOM 721 ND2 ASN A 48 10.739 2.865 5.772 1.00 0.00 N ATOM 0 H ASN A 48 7.047 3.865 5.033 1.00 0.00 H new ATOM 0 HA ASN A 48 7.603 1.398 4.026 1.00 0.00 H new ATOM 0 HB2 ASN A 48 8.094 2.469 6.847 1.00 0.00 H new ATOM 0 HB3 ASN A 48 8.945 1.109 6.142 1.00 0.00 H new ATOM 0 HD21 ASN A 48 11.477 3.479 5.427 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.956 2.143 6.459 1.00 0.00 H new ATOM 728 N GLU A 49 5.593 1.257 6.623 1.00 0.00 N ATOM 729 CA GLU A 49 4.751 0.416 7.423 1.00 0.00 C ATOM 730 C GLU A 49 3.706 -0.257 6.552 1.00 0.00 C ATOM 731 O GLU A 49 3.468 -1.472 6.647 1.00 0.00 O ATOM 732 CB GLU A 49 4.103 1.288 8.483 1.00 0.00 C ATOM 733 CG GLU A 49 5.107 2.042 9.343 1.00 0.00 C ATOM 734 CD GLU A 49 6.073 1.117 10.053 1.00 0.00 C ATOM 735 OE1 GLU A 49 7.051 0.663 9.418 1.00 0.00 O ATOM 736 OE2 GLU A 49 5.856 0.828 11.249 1.00 0.00 O ATOM 0 H GLU A 49 5.519 2.250 6.845 1.00 0.00 H new ATOM 0 HA GLU A 49 5.332 -0.373 7.900 1.00 0.00 H new ATOM 0 HB2 GLU A 49 3.441 2.005 7.998 1.00 0.00 H new ATOM 0 HB3 GLU A 49 3.482 0.664 9.126 1.00 0.00 H new ATOM 0 HG2 GLU A 49 5.668 2.736 8.717 1.00 0.00 H new ATOM 0 HG3 GLU A 49 4.572 2.639 10.081 1.00 0.00 H new ATOM 743 N ASP A 50 3.107 0.540 5.683 1.00 0.00 N ATOM 744 CA ASP A 50 2.164 0.069 4.721 1.00 0.00 C ATOM 745 C ASP A 50 2.817 -0.955 3.804 1.00 0.00 C ATOM 746 O ASP A 50 2.193 -1.954 3.436 1.00 0.00 O ATOM 747 CB ASP A 50 1.653 1.265 3.935 1.00 0.00 C ATOM 748 CG ASP A 50 0.937 2.275 4.813 1.00 0.00 C ATOM 749 OD1 ASP A 50 1.618 3.004 5.566 1.00 0.00 O ATOM 750 OD2 ASP A 50 -0.308 2.328 4.772 1.00 0.00 O ATOM 0 H ASP A 50 3.275 1.545 5.637 1.00 0.00 H new ATOM 0 HA ASP A 50 1.327 -0.424 5.216 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.490 1.752 3.435 1.00 0.00 H new ATOM 0 HB3 ASP A 50 0.974 0.920 3.155 1.00 0.00 H new ATOM 755 N LEU A 51 4.096 -0.739 3.466 1.00 0.00 N ATOM 756 CA LEU A 51 4.816 -1.698 2.652 1.00 0.00 C ATOM 757 C LEU A 51 5.015 -2.986 3.426 1.00 0.00 C ATOM 758 O LEU A 51 4.800 -4.061 2.892 1.00 0.00 O ATOM 759 CB LEU A 51 6.176 -1.152 2.194 1.00 0.00 C ATOM 760 CG LEU A 51 6.156 -0.163 1.020 1.00 0.00 C ATOM 761 CD1 LEU A 51 4.752 -0.003 0.465 1.00 0.00 C ATOM 762 CD2 LEU A 51 6.731 1.183 1.438 1.00 0.00 C ATOM 0 H LEU A 51 4.636 0.080 3.744 1.00 0.00 H new ATOM 0 HA LEU A 51 4.217 -1.891 1.762 1.00 0.00 H new ATOM 0 HB2 LEU A 51 6.651 -0.663 3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 51 6.808 -1.997 1.918 1.00 0.00 H new ATOM 0 HG LEU A 51 6.784 -0.569 0.227 1.00 0.00 H new ATOM 0 HD11 LEU A 51 4.767 0.703 -0.365 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.387 -0.968 0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 51 4.092 0.371 1.247 1.00 0.00 H new ATOM 0 HD21 LEU A 51 6.707 1.868 0.590 1.00 0.00 H new ATOM 0 HD22 LEU A 51 6.137 1.595 2.254 1.00 0.00 H new ATOM 0 HD23 LEU A 51 7.761 1.052 1.769 1.00 0.00 H new ATOM 774 N ALA A 52 5.373 -2.865 4.703 1.00 0.00 N ATOM 775 CA ALA A 52 5.644 -4.032 5.537 1.00 0.00 C ATOM 776 C ALA A 52 4.405 -4.902 5.641 1.00 0.00 C ATOM 777 O ALA A 52 4.486 -6.118 5.801 1.00 0.00 O ATOM 778 CB ALA A 52 6.113 -3.602 6.918 1.00 0.00 C ATOM 0 H ALA A 52 5.482 -1.971 5.182 1.00 0.00 H new ATOM 0 HA ALA A 52 6.439 -4.615 5.072 1.00 0.00 H new ATOM 0 HB1 ALA A 52 6.310 -4.485 7.526 1.00 0.00 H new ATOM 0 HB2 ALA A 52 7.026 -3.014 6.825 1.00 0.00 H new ATOM 0 HB3 ALA A 52 5.339 -2.999 7.394 1.00 0.00 H new ATOM 784 N TYR A 53 3.259 -4.259 5.552 1.00 0.00 N ATOM 785 CA TYR A 53 1.989 -4.958 5.549 1.00 0.00 C ATOM 786 C TYR A 53 1.749 -5.666 4.208 1.00 0.00 C ATOM 787 O TYR A 53 1.497 -6.880 4.153 1.00 0.00 O ATOM 788 CB TYR A 53 0.892 -3.929 5.830 1.00 0.00 C ATOM 789 CG TYR A 53 -0.509 -4.406 5.535 1.00 0.00 C ATOM 790 CD1 TYR A 53 -1.212 -5.188 6.441 1.00 0.00 C ATOM 791 CD2 TYR A 53 -1.119 -4.074 4.336 1.00 0.00 C ATOM 792 CE1 TYR A 53 -2.491 -5.621 6.157 1.00 0.00 C ATOM 793 CE2 TYR A 53 -2.393 -4.500 4.045 1.00 0.00 C ATOM 794 CZ TYR A 53 -3.075 -5.278 4.956 1.00 0.00 C ATOM 795 OH TYR A 53 -4.345 -5.712 4.665 1.00 0.00 O ATOM 0 H TYR A 53 3.181 -3.245 5.480 1.00 0.00 H new ATOM 0 HA TYR A 53 1.986 -5.732 6.316 1.00 0.00 H new ATOM 0 HB2 TYR A 53 0.948 -3.635 6.878 1.00 0.00 H new ATOM 0 HB3 TYR A 53 1.090 -3.036 5.237 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -0.752 -5.461 7.379 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.584 -3.470 3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.031 -6.225 6.871 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.857 -4.227 3.109 1.00 0.00 H new ATOM 0 HH TYR A 53 -4.609 -5.382 3.781 1.00 0.00 H new ATOM 805 N VAL A 54 1.892 -4.924 3.119 1.00 0.00 N ATOM 806 CA VAL A 54 1.626 -5.471 1.798 1.00 0.00 C ATOM 807 C VAL A 54 2.684 -6.503 1.405 1.00 0.00 C ATOM 808 O VAL A 54 2.413 -7.399 0.608 1.00 0.00 O ATOM 809 CB VAL A 54 1.468 -4.357 0.743 1.00 0.00 C ATOM 810 CG1 VAL A 54 2.632 -3.420 0.779 1.00 0.00 C ATOM 811 CG2 VAL A 54 1.262 -4.922 -0.656 1.00 0.00 C ATOM 0 H VAL A 54 2.189 -3.948 3.124 1.00 0.00 H new ATOM 0 HA VAL A 54 0.671 -5.995 1.838 1.00 0.00 H new ATOM 0 HB VAL A 54 0.569 -3.795 0.997 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.497 -2.643 0.026 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.699 -2.961 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 54 3.549 -3.971 0.572 1.00 0.00 H new ATOM 0 HG21 VAL A 54 1.155 -4.103 -1.367 1.00 0.00 H new ATOM 0 HG22 VAL A 54 2.122 -5.533 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 54 0.361 -5.536 -0.672 1.00 0.00 H new ATOM 821 N GLU A 55 3.884 -6.383 1.976 1.00 0.00 N ATOM 822 CA GLU A 55 4.880 -7.452 1.891 1.00 0.00 C ATOM 823 C GLU A 55 4.248 -8.778 2.299 1.00 0.00 C ATOM 824 O GLU A 55 4.432 -9.799 1.639 1.00 0.00 O ATOM 825 CB GLU A 55 6.069 -7.201 2.825 1.00 0.00 C ATOM 826 CG GLU A 55 6.865 -5.949 2.523 1.00 0.00 C ATOM 827 CD GLU A 55 8.138 -5.856 3.348 1.00 0.00 C ATOM 828 OE1 GLU A 55 9.169 -6.412 2.923 1.00 0.00 O ATOM 829 OE2 GLU A 55 8.109 -5.227 4.424 1.00 0.00 O ATOM 0 H GLU A 55 4.188 -5.562 2.499 1.00 0.00 H new ATOM 0 HA GLU A 55 5.232 -7.479 0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.701 -7.142 3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 55 6.738 -8.060 2.776 1.00 0.00 H new ATOM 0 HG2 GLU A 55 7.120 -5.931 1.463 1.00 0.00 H new ATOM 0 HG3 GLU A 55 6.246 -5.073 2.716 1.00 0.00 H new ATOM 836 N LYS A 56 3.483 -8.741 3.383 1.00 0.00 N ATOM 837 CA LYS A 56 2.854 -9.935 3.913 1.00 0.00 C ATOM 838 C LYS A 56 1.705 -10.372 3.020 1.00 0.00 C ATOM 839 O LYS A 56 1.453 -11.566 2.854 1.00 0.00 O ATOM 840 CB LYS A 56 2.361 -9.684 5.342 1.00 0.00 C ATOM 841 CG LYS A 56 3.369 -10.040 6.435 1.00 0.00 C ATOM 842 CD LYS A 56 4.632 -9.184 6.397 1.00 0.00 C ATOM 843 CE LYS A 56 5.658 -9.718 5.403 1.00 0.00 C ATOM 844 NZ LYS A 56 6.108 -11.091 5.749 1.00 0.00 N ATOM 0 H LYS A 56 3.285 -7.891 3.911 1.00 0.00 H new ATOM 0 HA LYS A 56 3.592 -10.737 3.937 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.094 -8.632 5.441 1.00 0.00 H new ATOM 0 HB3 LYS A 56 1.450 -10.260 5.504 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.892 -9.928 7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 56 3.647 -11.089 6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.368 -8.161 6.130 1.00 0.00 H new ATOM 0 HD3 LYS A 56 5.076 -9.149 7.392 1.00 0.00 H new ATOM 0 HE2 LYS A 56 5.226 -9.720 4.402 1.00 0.00 H new ATOM 0 HE3 LYS A 56 6.519 -9.050 5.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 7.040 -11.268 5.323 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 6.176 -11.184 6.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 5.423 -11.783 5.384 1.00 0.00 H new ATOM 858 N ILE A 57 1.016 -9.401 2.438 1.00 0.00 N ATOM 859 CA ILE A 57 -0.090 -9.705 1.530 1.00 0.00 C ATOM 860 C ILE A 57 0.421 -10.340 0.233 1.00 0.00 C ATOM 861 O ILE A 57 -0.235 -11.205 -0.351 1.00 0.00 O ATOM 862 CB ILE A 57 -0.912 -8.446 1.151 1.00 0.00 C ATOM 863 CG1 ILE A 57 -1.028 -7.477 2.331 1.00 0.00 C ATOM 864 CG2 ILE A 57 -2.299 -8.848 0.658 1.00 0.00 C ATOM 865 CD1 ILE A 57 -1.607 -8.088 3.585 1.00 0.00 C ATOM 0 H ILE A 57 1.197 -8.406 2.573 1.00 0.00 H new ATOM 0 HA ILE A 57 -0.733 -10.400 2.070 1.00 0.00 H new ATOM 0 HB ILE A 57 -0.384 -7.932 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 57 -0.039 -7.080 2.558 1.00 0.00 H new ATOM 0 HG13 ILE A 57 -1.649 -6.633 2.032 1.00 0.00 H new ATOM 0 HG21 ILE A 57 -2.865 -7.954 0.395 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -2.202 -9.487 -0.220 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -2.822 -9.390 1.446 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -1.653 -7.333 4.370 1.00 0.00 H new ATOM 0 HD12 ILE A 57 -2.611 -8.459 3.379 1.00 0.00 H new ATOM 0 HD13 ILE A 57 -0.975 -8.913 3.913 1.00 0.00 H new ATOM 877 N THR A 58 1.600 -9.921 -0.213 1.00 0.00 N ATOM 878 CA THR A 58 2.086 -10.313 -1.528 1.00 0.00 C ATOM 879 C THR A 58 3.079 -11.466 -1.469 1.00 0.00 C ATOM 880 O THR A 58 2.943 -12.454 -2.191 1.00 0.00 O ATOM 881 CB THR A 58 2.762 -9.129 -2.247 1.00 0.00 C ATOM 882 OG1 THR A 58 3.769 -8.555 -1.404 1.00 0.00 O ATOM 883 CG2 THR A 58 1.750 -8.064 -2.624 1.00 0.00 C ATOM 0 H THR A 58 2.231 -9.315 0.312 1.00 0.00 H new ATOM 0 HA THR A 58 1.205 -10.639 -2.081 1.00 0.00 H new ATOM 0 HB THR A 58 3.219 -9.508 -3.161 1.00 0.00 H new ATOM 0 HG1 THR A 58 3.347 -7.966 -0.744 1.00 0.00 H new ATOM 0 HG21 THR A 58 2.258 -7.242 -3.129 1.00 0.00 H new ATOM 0 HG22 THR A 58 1.002 -8.493 -3.290 1.00 0.00 H new ATOM 0 HG23 THR A 58 1.262 -7.690 -1.724 1.00 0.00 H new ATOM 891 N GLY A 59 4.054 -11.349 -0.582 1.00 0.00 N ATOM 892 CA GLY A 59 5.157 -12.284 -0.561 1.00 0.00 C ATOM 893 C GLY A 59 6.424 -11.635 -1.079 1.00 0.00 C ATOM 894 O GLY A 59 7.482 -12.263 -1.139 1.00 0.00 O ATOM 0 H GLY A 59 4.101 -10.618 0.128 1.00 0.00 H new ATOM 0 HA2 GLY A 59 5.316 -12.642 0.456 1.00 0.00 H new ATOM 0 HA3 GLY A 59 4.913 -13.154 -1.171 1.00 0.00 H new ATOM 898 N PHE A 60 6.304 -10.368 -1.465 1.00 0.00 N ATOM 899 CA PHE A 60 7.437 -9.587 -1.938 1.00 0.00 C ATOM 900 C PHE A 60 7.907 -8.658 -0.836 1.00 0.00 C ATOM 901 O PHE A 60 7.092 -8.096 -0.109 1.00 0.00 O ATOM 902 CB PHE A 60 7.053 -8.748 -3.163 1.00 0.00 C ATOM 903 CG PHE A 60 6.556 -9.545 -4.333 1.00 0.00 C ATOM 904 CD1 PHE A 60 7.443 -10.048 -5.270 1.00 0.00 C ATOM 905 CD2 PHE A 60 5.201 -9.780 -4.504 1.00 0.00 C ATOM 906 CE1 PHE A 60 6.989 -10.772 -6.352 1.00 0.00 C ATOM 907 CE2 PHE A 60 4.742 -10.506 -5.584 1.00 0.00 C ATOM 908 CZ PHE A 60 5.637 -11.002 -6.508 1.00 0.00 C ATOM 0 H PHE A 60 5.421 -9.857 -1.458 1.00 0.00 H new ATOM 0 HA PHE A 60 8.233 -10.277 -2.218 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.282 -8.035 -2.872 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.921 -8.168 -3.477 1.00 0.00 H new ATOM 0 HD1 PHE A 60 8.502 -9.871 -5.152 1.00 0.00 H new ATOM 0 HD2 PHE A 60 4.496 -9.391 -3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 60 7.690 -11.159 -7.077 1.00 0.00 H new ATOM 0 HE2 PHE A 60 3.684 -10.685 -5.705 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.280 -11.571 -7.354 1.00 0.00 H new ATOM 918 N SER A 61 9.211 -8.492 -0.711 1.00 0.00 N ATOM 919 CA SER A 61 9.750 -7.574 0.270 1.00 0.00 C ATOM 920 C SER A 61 9.853 -6.184 -0.346 1.00 0.00 C ATOM 921 O SER A 61 10.653 -5.953 -1.258 1.00 0.00 O ATOM 922 CB SER A 61 11.117 -8.045 0.774 1.00 0.00 C ATOM 923 OG SER A 61 11.545 -7.266 1.881 1.00 0.00 O ATOM 0 H SER A 61 9.910 -8.978 -1.273 1.00 0.00 H new ATOM 0 HA SER A 61 9.079 -7.540 1.129 1.00 0.00 H new ATOM 0 HB2 SER A 61 11.061 -9.094 1.063 1.00 0.00 H new ATOM 0 HB3 SER A 61 11.849 -7.975 -0.030 1.00 0.00 H new ATOM 0 HG SER A 61 10.763 -6.897 2.343 1.00 0.00 H new ATOM 929 N LEU A 62 9.034 -5.264 0.140 1.00 0.00 N ATOM 930 CA LEU A 62 8.995 -3.916 -0.406 1.00 0.00 C ATOM 931 C LEU A 62 9.973 -3.004 0.314 1.00 0.00 C ATOM 932 O LEU A 62 9.803 -1.793 0.324 1.00 0.00 O ATOM 933 CB LEU A 62 7.579 -3.328 -0.342 1.00 0.00 C ATOM 934 CG LEU A 62 6.513 -4.141 -1.083 1.00 0.00 C ATOM 935 CD1 LEU A 62 5.196 -3.396 -1.096 1.00 0.00 C ATOM 936 CD2 LEU A 62 6.952 -4.441 -2.507 1.00 0.00 C ATOM 0 H LEU A 62 8.387 -5.426 0.912 1.00 0.00 H new ATOM 0 HA LEU A 62 9.291 -3.983 -1.453 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.285 -3.237 0.704 1.00 0.00 H new ATOM 0 HB3 LEU A 62 7.600 -2.320 -0.756 1.00 0.00 H new ATOM 0 HG LEU A 62 6.382 -5.086 -0.555 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.449 -3.987 -1.626 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.864 -3.226 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 62 5.325 -2.438 -1.599 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.178 -5.019 -3.012 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.114 -3.506 -3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.879 -5.014 -2.489 1.00 0.00 H new ATOM 948 N GLU A 63 11.005 -3.594 0.905 1.00 0.00 N ATOM 949 CA GLU A 63 12.057 -2.850 1.543 1.00 0.00 C ATOM 950 C GLU A 63 12.713 -1.894 0.551 1.00 0.00 C ATOM 951 O GLU A 63 12.987 -0.740 0.871 1.00 0.00 O ATOM 952 CB GLU A 63 13.076 -3.837 2.084 1.00 0.00 C ATOM 953 CG GLU A 63 12.688 -4.472 3.410 1.00 0.00 C ATOM 954 CD GLU A 63 12.573 -3.468 4.540 1.00 0.00 C ATOM 955 OE1 GLU A 63 13.214 -2.399 4.466 1.00 0.00 O ATOM 956 OE2 GLU A 63 11.849 -3.755 5.517 1.00 0.00 O ATOM 0 H GLU A 63 11.126 -4.606 0.949 1.00 0.00 H new ATOM 0 HA GLU A 63 11.649 -2.252 2.358 1.00 0.00 H new ATOM 0 HB2 GLU A 63 13.227 -4.626 1.347 1.00 0.00 H new ATOM 0 HB3 GLU A 63 14.031 -3.326 2.205 1.00 0.00 H new ATOM 0 HG2 GLU A 63 11.736 -4.989 3.293 1.00 0.00 H new ATOM 0 HG3 GLU A 63 13.429 -5.226 3.676 1.00 0.00 H new ATOM 963 N LYS A 64 12.915 -2.379 -0.670 1.00 0.00 N ATOM 964 CA LYS A 64 13.520 -1.583 -1.737 1.00 0.00 C ATOM 965 C LYS A 64 12.562 -0.497 -2.230 1.00 0.00 C ATOM 966 O LYS A 64 12.918 0.329 -3.070 1.00 0.00 O ATOM 967 CB LYS A 64 13.925 -2.488 -2.903 1.00 0.00 C ATOM 968 CG LYS A 64 12.782 -3.341 -3.429 1.00 0.00 C ATOM 969 CD LYS A 64 13.184 -4.174 -4.640 1.00 0.00 C ATOM 970 CE LYS A 64 13.250 -3.350 -5.923 1.00 0.00 C ATOM 971 NZ LYS A 64 14.386 -2.388 -5.938 1.00 0.00 N ATOM 0 H LYS A 64 12.667 -3.328 -0.949 1.00 0.00 H new ATOM 0 HA LYS A 64 14.407 -1.096 -1.332 1.00 0.00 H new ATOM 0 HB2 LYS A 64 14.312 -1.872 -3.714 1.00 0.00 H new ATOM 0 HB3 LYS A 64 14.738 -3.140 -2.582 1.00 0.00 H new ATOM 0 HG2 LYS A 64 12.433 -4.003 -2.637 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.945 -2.696 -3.697 1.00 0.00 H new ATOM 0 HD2 LYS A 64 14.156 -4.631 -4.456 1.00 0.00 H new ATOM 0 HD3 LYS A 64 12.470 -4.987 -4.771 1.00 0.00 H new ATOM 0 HE2 LYS A 64 13.339 -4.023 -6.776 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.316 -2.802 -6.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 14.757 -2.304 -6.906 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 14.057 -1.457 -5.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 15.139 -2.730 -5.307 1.00 0.00 H new ATOM 985 N PHE A 65 11.337 -0.523 -1.721 1.00 0.00 N ATOM 986 CA PHE A 65 10.337 0.482 -2.057 1.00 0.00 C ATOM 987 C PHE A 65 10.088 1.399 -0.866 1.00 0.00 C ATOM 988 O PHE A 65 9.344 2.368 -0.961 1.00 0.00 O ATOM 989 CB PHE A 65 9.020 -0.186 -2.475 1.00 0.00 C ATOM 990 CG PHE A 65 9.104 -0.964 -3.759 1.00 0.00 C ATOM 991 CD1 PHE A 65 8.845 -0.350 -4.973 1.00 0.00 C ATOM 992 CD2 PHE A 65 9.433 -2.309 -3.752 1.00 0.00 C ATOM 993 CE1 PHE A 65 8.913 -1.060 -6.154 1.00 0.00 C ATOM 994 CE2 PHE A 65 9.501 -3.027 -4.931 1.00 0.00 C ATOM 995 CZ PHE A 65 9.242 -2.401 -6.134 1.00 0.00 C ATOM 0 H PHE A 65 11.010 -1.236 -1.068 1.00 0.00 H new ATOM 0 HA PHE A 65 10.715 1.072 -2.892 1.00 0.00 H new ATOM 0 HB2 PHE A 65 8.696 -0.856 -1.678 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.253 0.582 -2.578 1.00 0.00 H new ATOM 0 HD1 PHE A 65 8.586 0.698 -4.996 1.00 0.00 H new ATOM 0 HD2 PHE A 65 9.639 -2.803 -2.814 1.00 0.00 H new ATOM 0 HE1 PHE A 65 8.709 -0.567 -7.093 1.00 0.00 H new ATOM 0 HE2 PHE A 65 9.756 -4.076 -4.911 1.00 0.00 H new ATOM 0 HZ PHE A 65 9.297 -2.959 -7.057 1.00 0.00 H new ATOM 1005 N LYS A 66 10.724 1.088 0.256 1.00 0.00 N ATOM 1006 CA LYS A 66 10.505 1.843 1.482 1.00 0.00 C ATOM 1007 C LYS A 66 11.409 3.060 1.541 1.00 0.00 C ATOM 1008 O LYS A 66 12.562 3.008 1.103 1.00 0.00 O ATOM 1009 CB LYS A 66 10.738 0.963 2.713 1.00 0.00 C ATOM 1010 CG LYS A 66 9.732 -0.163 2.848 1.00 0.00 C ATOM 1011 CD LYS A 66 9.977 -0.997 4.091 1.00 0.00 C ATOM 1012 CE LYS A 66 9.045 -2.194 4.132 1.00 0.00 C ATOM 1013 NZ LYS A 66 9.247 -3.023 5.345 1.00 0.00 N ATOM 0 H LYS A 66 11.392 0.322 0.342 1.00 0.00 H new ATOM 0 HA LYS A 66 9.468 2.179 1.481 1.00 0.00 H new ATOM 0 HB2 LYS A 66 11.741 0.540 2.663 1.00 0.00 H new ATOM 0 HB3 LYS A 66 10.698 1.585 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 66 8.725 0.253 2.883 1.00 0.00 H new ATOM 0 HG3 LYS A 66 9.783 -0.802 1.967 1.00 0.00 H new ATOM 0 HD2 LYS A 66 11.013 -1.337 4.108 1.00 0.00 H new ATOM 0 HD3 LYS A 66 9.828 -0.384 4.980 1.00 0.00 H new ATOM 0 HE2 LYS A 66 8.012 -1.849 4.099 1.00 0.00 H new ATOM 0 HE3 LYS A 66 9.205 -2.807 3.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 8.625 -3.855 5.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 10.238 -3.334 5.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 9.020 -2.462 6.191 1.00 0.00 H new