USER MOD reduce.3.24.130724 H: found=0, std=0, add=725, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 729 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 9 HIS : no HD1:sc= -1.02 K(o=-1,f=-3.8!) USER MOD Single : A 11 HIS : no HD1:sc=-0.00212 X(o=-0.0021,f=-0.015) USER MOD Single : A 21 GLN : amide:sc= 0.23 K(o=0.23,f=-0.29) USER MOD Single : A 24 ASN : amide:sc= -0.565 K(o=-0.57,f=-3.6!) USER MOD Single : A 26 HIS : no HD1:sc= -0.356 X(o=-0.36,f=-0.011) USER MOD Single : A 29 TYR OH : rot -27:sc= 1.38 USER MOD Single : A 33 GLN : amide:sc= -0.68 X(o=-0.68,f=-0.83) USER MOD Single : A 34 ASN : amide:sc= -4.52! C(o=-4.5!,f=-2.9!) USER MOD Single : A 37 SER OG : rot 180:sc= -0.0859 USER MOD Single : A 40 TYR OH : rot 180:sc= -0.189 USER MOD Single : A 42 HIS : no HD1:sc= -0.82 K(o=-0.7,f=-3!) USER MOD Single : A 45 MET CE :methyl 178:sc= -1.3 (180deg=-1.34) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 27:sc= 0.323 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot -140:sc= -0.268 USER MOD Single : A 67 ASN : amide:sc= -0.872 K(o=-0.87,f=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 73 THR OG1 : rot 88:sc= 0.841 USER MOD Single : A 77 GLN : amide:sc= -1.66 K(o=-1.7,f=-0.39) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 HIS : no HE2:sc= -0.389 K(o=-0.39,f=-1.2) USER MOD Single : A 95 TYR OH : rot 21:sc= 0.768 USER MOD Single : A 98 MET CE :methyl -166:sc= -0.0969 (180deg=-0.173) USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 HIS : no HD1:sc= -0.119 X(o=-0.12,f=0.02) USER MOD ----------------------------------------------------------------- ATOM 62 N PHE A 5 -4.987 10.223 -4.759 1.00 0.00 N ATOM 63 CA PHE A 5 -3.957 9.909 -3.760 1.00 0.00 C ATOM 64 C PHE A 5 -3.707 11.101 -2.814 1.00 0.00 C ATOM 65 O PHE A 5 -3.822 12.269 -3.204 1.00 0.00 O ATOM 66 CB PHE A 5 -2.658 9.512 -4.511 1.00 0.00 C ATOM 67 CG PHE A 5 -1.407 9.345 -3.638 1.00 0.00 C ATOM 68 CD1 PHE A 5 -1.273 8.256 -2.781 1.00 0.00 C ATOM 69 CD2 PHE A 5 -0.371 10.282 -3.673 1.00 0.00 C ATOM 70 CE1 PHE A 5 -0.157 8.114 -1.984 1.00 0.00 C ATOM 71 CE2 PHE A 5 0.747 10.134 -2.879 1.00 0.00 C ATOM 72 CZ PHE A 5 0.856 9.050 -2.034 1.00 0.00 C ATOM 0 HA PHE A 5 -4.294 9.081 -3.136 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -2.838 8.575 -5.039 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -2.452 10.269 -5.267 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -2.055 7.512 -2.740 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -0.447 11.135 -4.331 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.075 7.267 -1.318 1.00 0.00 H new ATOM 0 HE2 PHE A 5 1.538 10.868 -2.919 1.00 0.00 H new ATOM 0 HZ PHE A 5 1.732 8.934 -1.413 1.00 0.00 H new ATOM 82 N GLU A 6 -3.362 10.760 -1.567 1.00 0.00 N ATOM 83 CA GLU A 6 -3.100 11.707 -0.479 1.00 0.00 C ATOM 84 C GLU A 6 -1.890 11.215 0.375 1.00 0.00 C ATOM 85 O GLU A 6 -1.591 10.019 0.380 1.00 0.00 O ATOM 86 CB GLU A 6 -4.380 11.849 0.397 1.00 0.00 C ATOM 87 CG GLU A 6 -5.022 10.508 0.850 1.00 0.00 C ATOM 88 CD GLU A 6 -6.074 9.938 -0.129 1.00 0.00 C ATOM 89 OE1 GLU A 6 -7.233 10.391 -0.097 1.00 0.00 O ATOM 90 OE2 GLU A 6 -5.762 9.005 -0.899 1.00 0.00 O ATOM 0 H GLU A 6 -3.254 9.787 -1.279 1.00 0.00 H new ATOM 0 HA GLU A 6 -2.847 12.684 -0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -4.132 12.433 1.284 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -5.122 12.419 -0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -4.232 9.769 0.985 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -5.491 10.655 1.823 1.00 0.00 H new ATOM 97 N PRO A 7 -1.141 12.131 1.077 1.00 0.00 N ATOM 98 CA PRO A 7 -0.035 11.736 1.996 1.00 0.00 C ATOM 99 C PRO A 7 -0.491 10.775 3.122 1.00 0.00 C ATOM 100 O PRO A 7 -1.106 11.201 4.107 1.00 0.00 O ATOM 101 CB PRO A 7 0.464 13.093 2.572 1.00 0.00 C ATOM 102 CG PRO A 7 0.061 14.104 1.538 1.00 0.00 C ATOM 103 CD PRO A 7 -1.259 13.610 0.981 1.00 0.00 C ATOM 0 HA PRO A 7 0.741 11.176 1.474 1.00 0.00 H new ATOM 0 HB2 PRO A 7 0.007 13.308 3.538 1.00 0.00 H new ATOM 0 HB3 PRO A 7 1.543 13.088 2.724 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -0.046 15.095 1.979 1.00 0.00 H new ATOM 0 HG3 PRO A 7 0.813 14.184 0.753 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -2.104 13.984 1.559 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -1.408 13.935 -0.049 1.00 0.00 H new ATOM 111 N GLY A 8 -0.216 9.471 2.940 1.00 0.00 N ATOM 112 CA GLY A 8 -0.525 8.443 3.941 1.00 0.00 C ATOM 113 C GLY A 8 -1.411 7.329 3.387 1.00 0.00 C ATOM 114 O GLY A 8 -1.367 6.194 3.870 1.00 0.00 O ATOM 0 H GLY A 8 0.225 9.105 2.097 1.00 0.00 H new ATOM 0 HA2 GLY A 8 0.405 8.012 4.312 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -1.022 8.908 4.792 1.00 0.00 H new ATOM 118 N HIS A 9 -2.180 7.635 2.332 1.00 0.00 N ATOM 119 CA HIS A 9 -3.236 6.741 1.812 1.00 0.00 C ATOM 120 C HIS A 9 -3.371 6.900 0.285 1.00 0.00 C ATOM 121 O HIS A 9 -3.101 7.959 -0.255 1.00 0.00 O ATOM 122 CB HIS A 9 -4.573 7.061 2.540 1.00 0.00 C ATOM 123 CG HIS A 9 -5.793 6.343 2.016 1.00 0.00 C ATOM 124 ND1 HIS A 9 -6.635 6.896 1.084 1.00 0.00 N ATOM 125 CD2 HIS A 9 -6.313 5.123 2.303 1.00 0.00 C ATOM 126 CE1 HIS A 9 -7.610 6.069 0.823 1.00 0.00 C ATOM 127 NE2 HIS A 9 -7.447 4.980 1.544 1.00 0.00 N ATOM 0 H HIS A 9 -2.091 8.508 1.812 1.00 0.00 H new ATOM 0 HA HIS A 9 -2.971 5.702 2.007 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -4.457 6.818 3.596 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -4.751 8.134 2.477 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -5.910 4.401 2.998 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -8.418 6.249 0.129 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -8.061 4.166 1.539 1.00 0.00 H new ATOM 136 N LEU A 10 -3.788 5.826 -0.389 1.00 0.00 N ATOM 137 CA LEU A 10 -4.040 5.785 -1.837 1.00 0.00 C ATOM 138 C LEU A 10 -5.483 5.308 -2.044 1.00 0.00 C ATOM 139 O LEU A 10 -5.891 4.294 -1.454 1.00 0.00 O ATOM 140 CB LEU A 10 -3.042 4.811 -2.521 1.00 0.00 C ATOM 141 CG LEU A 10 -3.319 4.460 -4.023 1.00 0.00 C ATOM 142 CD1 LEU A 10 -3.258 5.715 -4.928 1.00 0.00 C ATOM 143 CD2 LEU A 10 -2.352 3.358 -4.517 1.00 0.00 C ATOM 0 H LEU A 10 -3.966 4.932 0.069 1.00 0.00 H new ATOM 0 HA LEU A 10 -3.903 6.771 -2.281 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -2.043 5.242 -2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -3.029 3.882 -1.951 1.00 0.00 H new ATOM 0 HG LEU A 10 -4.335 4.071 -4.089 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -3.455 5.429 -5.961 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -4.008 6.436 -4.602 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -2.268 6.165 -4.859 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.563 3.131 -5.562 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.324 3.707 -4.422 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -2.487 2.459 -3.916 1.00 0.00 H new ATOM 155 N HIS A 11 -6.256 6.044 -2.854 1.00 0.00 N ATOM 156 CA HIS A 11 -7.671 5.726 -3.106 1.00 0.00 C ATOM 157 C HIS A 11 -7.812 4.942 -4.427 1.00 0.00 C ATOM 158 O HIS A 11 -7.215 5.325 -5.443 1.00 0.00 O ATOM 159 CB HIS A 11 -8.496 7.044 -3.177 1.00 0.00 C ATOM 160 CG HIS A 11 -9.960 6.885 -2.831 1.00 0.00 C ATOM 161 ND1 HIS A 11 -10.622 7.708 -1.950 1.00 0.00 N ATOM 162 CD2 HIS A 11 -10.889 5.997 -3.266 1.00 0.00 C ATOM 163 CE1 HIS A 11 -11.878 7.333 -1.854 1.00 0.00 C ATOM 164 NE2 HIS A 11 -12.068 6.301 -2.646 1.00 0.00 N ATOM 0 H HIS A 11 -5.923 6.871 -3.350 1.00 0.00 H new ATOM 0 HA HIS A 11 -8.050 5.108 -2.292 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -8.052 7.773 -2.499 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -8.416 7.455 -4.183 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -10.726 5.197 -3.973 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -12.628 7.795 -1.229 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -12.951 5.808 -2.776 1.00 0.00 H new ATOM 173 N LEU A 12 -8.621 3.861 -4.408 1.00 0.00 N ATOM 174 CA LEU A 12 -8.939 3.060 -5.608 1.00 0.00 C ATOM 175 C LEU A 12 -10.463 2.955 -5.796 1.00 0.00 C ATOM 176 O LEU A 12 -11.160 2.393 -4.958 1.00 0.00 O ATOM 177 CB LEU A 12 -8.344 1.622 -5.525 1.00 0.00 C ATOM 178 CG LEU A 12 -6.791 1.485 -5.437 1.00 0.00 C ATOM 179 CD1 LEU A 12 -6.367 -0.006 -5.470 1.00 0.00 C ATOM 180 CD2 LEU A 12 -6.086 2.285 -6.560 1.00 0.00 C ATOM 0 H LEU A 12 -9.072 3.520 -3.559 1.00 0.00 H new ATOM 0 HA LEU A 12 -8.489 3.573 -6.458 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -8.774 1.130 -4.652 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -8.681 1.068 -6.401 1.00 0.00 H new ATOM 0 HG LEU A 12 -6.475 1.909 -4.484 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -5.281 -0.077 -5.408 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -6.814 -0.530 -4.625 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -6.707 -0.461 -6.400 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -5.006 2.167 -6.468 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -6.410 1.912 -7.531 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -6.344 3.340 -6.472 1.00 0.00 H new ATOM 192 N VAL A 13 -10.964 3.568 -6.864 1.00 0.00 N ATOM 193 CA VAL A 13 -12.279 3.256 -7.464 1.00 0.00 C ATOM 194 C VAL A 13 -12.016 2.986 -8.956 1.00 0.00 C ATOM 195 O VAL A 13 -10.901 3.266 -9.440 1.00 0.00 O ATOM 196 CB VAL A 13 -13.337 4.416 -7.269 1.00 0.00 C ATOM 197 CG1 VAL A 13 -13.586 4.719 -5.764 1.00 0.00 C ATOM 198 CG2 VAL A 13 -12.927 5.699 -8.038 1.00 0.00 C ATOM 0 H VAL A 13 -10.466 4.311 -7.354 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.719 2.391 -6.968 1.00 0.00 H new ATOM 0 HB VAL A 13 -14.278 4.065 -7.693 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -14.318 5.521 -5.671 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -13.964 3.824 -5.270 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.651 5.025 -5.295 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -13.678 6.473 -7.880 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.962 6.049 -7.672 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -12.853 5.477 -9.103 1.00 0.00 H new ATOM 307 N GLN A 21 -16.415 -1.708 -13.111 1.00 0.00 N ATOM 308 CA GLN A 21 -16.935 -2.719 -12.173 1.00 0.00 C ATOM 309 C GLN A 21 -17.206 -2.064 -10.806 1.00 0.00 C ATOM 310 O GLN A 21 -16.663 -0.984 -10.518 1.00 0.00 O ATOM 311 CB GLN A 21 -15.904 -3.874 -12.042 1.00 0.00 C ATOM 312 CG GLN A 21 -16.415 -5.115 -11.294 1.00 0.00 C ATOM 313 CD GLN A 21 -15.336 -6.159 -11.026 1.00 0.00 C ATOM 314 OE1 GLN A 21 -14.362 -6.285 -11.770 1.00 0.00 O ATOM 315 NE2 GLN A 21 -15.517 -6.933 -9.974 1.00 0.00 N ATOM 0 HA GLN A 21 -17.873 -3.130 -12.548 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -15.588 -4.174 -13.041 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -15.020 -3.496 -11.528 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -16.849 -4.802 -10.344 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -17.215 -5.574 -11.874 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -16.335 -6.801 -9.379 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -14.839 -7.663 -9.755 1.00 0.00 H new ATOM 324 N ASP A 22 -18.055 -2.710 -9.968 1.00 0.00 N ATOM 325 CA ASP A 22 -18.303 -2.274 -8.574 1.00 0.00 C ATOM 326 C ASP A 22 -17.075 -2.613 -7.708 1.00 0.00 C ATOM 327 O ASP A 22 -17.029 -3.644 -7.035 1.00 0.00 O ATOM 328 CB ASP A 22 -19.602 -2.921 -7.999 1.00 0.00 C ATOM 329 CG ASP A 22 -19.932 -2.466 -6.556 1.00 0.00 C ATOM 330 OD1 ASP A 22 -20.451 -1.340 -6.385 1.00 0.00 O ATOM 331 OD2 ASP A 22 -19.670 -3.218 -5.588 1.00 0.00 O ATOM 0 H ASP A 22 -18.582 -3.541 -10.238 1.00 0.00 H new ATOM 0 HA ASP A 22 -18.457 -1.195 -8.562 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -20.440 -2.674 -8.650 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -19.496 -4.006 -8.014 1.00 0.00 H new ATOM 336 N ILE A 23 -16.034 -1.779 -7.832 1.00 0.00 N ATOM 337 CA ILE A 23 -14.800 -1.918 -7.046 1.00 0.00 C ATOM 338 C ILE A 23 -14.513 -0.619 -6.284 1.00 0.00 C ATOM 339 O ILE A 23 -14.713 0.494 -6.798 1.00 0.00 O ATOM 340 CB ILE A 23 -13.548 -2.352 -7.925 1.00 0.00 C ATOM 341 CG1 ILE A 23 -12.992 -1.203 -8.852 1.00 0.00 C ATOM 342 CG2 ILE A 23 -13.873 -3.618 -8.753 1.00 0.00 C ATOM 343 CD1 ILE A 23 -11.724 -0.514 -8.344 1.00 0.00 C ATOM 0 H ILE A 23 -16.023 -0.990 -8.479 1.00 0.00 H new ATOM 0 HA ILE A 23 -14.963 -2.726 -6.333 1.00 0.00 H new ATOM 0 HB ILE A 23 -12.749 -2.579 -7.219 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -12.790 -1.620 -9.839 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -13.770 -0.450 -8.977 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -13.003 -3.898 -9.347 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -14.131 -4.436 -8.081 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -14.714 -3.413 -9.416 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -11.422 0.259 -9.050 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -11.920 -0.061 -7.372 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -10.925 -1.249 -8.247 1.00 0.00 H new ATOM 355 N ASN A 24 -14.090 -0.797 -5.038 1.00 0.00 N ATOM 356 CA ASN A 24 -13.602 0.271 -4.163 1.00 0.00 C ATOM 357 C ASN A 24 -12.621 -0.362 -3.169 1.00 0.00 C ATOM 358 O ASN A 24 -12.945 -1.371 -2.529 1.00 0.00 O ATOM 359 CB ASN A 24 -14.773 1.017 -3.456 1.00 0.00 C ATOM 360 CG ASN A 24 -15.746 0.090 -2.726 1.00 0.00 C ATOM 361 OD1 ASN A 24 -15.620 -0.155 -1.526 1.00 0.00 O ATOM 362 ND2 ASN A 24 -16.708 -0.450 -3.455 1.00 0.00 N ATOM 0 H ASN A 24 -14.075 -1.714 -4.592 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.089 1.036 -4.745 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.359 1.729 -2.742 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.324 1.594 -4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -17.375 -1.091 -3.025 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -16.783 -0.225 -4.447 1.00 0.00 H new ATOM 369 N ILE A 25 -11.401 0.200 -3.087 1.00 0.00 N ATOM 370 CA ILE A 25 -10.284 -0.352 -2.301 1.00 0.00 C ATOM 371 C ILE A 25 -9.505 0.819 -1.683 1.00 0.00 C ATOM 372 O ILE A 25 -9.335 1.871 -2.313 1.00 0.00 O ATOM 373 CB ILE A 25 -9.271 -1.213 -3.171 1.00 0.00 C ATOM 374 CG1 ILE A 25 -10.001 -2.295 -4.030 1.00 0.00 C ATOM 375 CG2 ILE A 25 -8.178 -1.873 -2.279 1.00 0.00 C ATOM 376 CD1 ILE A 25 -9.084 -3.140 -4.896 1.00 0.00 C ATOM 0 H ILE A 25 -11.161 1.064 -3.573 1.00 0.00 H new ATOM 0 HA ILE A 25 -10.713 -1.013 -1.547 1.00 0.00 H new ATOM 0 HB ILE A 25 -8.785 -0.521 -3.859 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -10.558 -2.954 -3.364 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -10.730 -1.800 -4.671 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -7.501 -2.455 -2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -7.616 -1.097 -1.759 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -8.652 -2.529 -1.549 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -9.677 -3.863 -5.456 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -8.545 -2.496 -5.591 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -8.371 -3.668 -4.263 1.00 0.00 H new ATOM 388 N HIS A 26 -9.046 0.630 -0.451 1.00 0.00 N ATOM 389 CA HIS A 26 -8.165 1.564 0.251 1.00 0.00 C ATOM 390 C HIS A 26 -6.754 0.960 0.209 1.00 0.00 C ATOM 391 O HIS A 26 -6.630 -0.256 0.296 1.00 0.00 O ATOM 392 CB HIS A 26 -8.615 1.721 1.738 1.00 0.00 C ATOM 393 CG HIS A 26 -10.059 2.123 1.995 1.00 0.00 C ATOM 394 ND1 HIS A 26 -10.478 2.656 3.198 1.00 0.00 N ATOM 395 CD2 HIS A 26 -11.184 2.029 1.238 1.00 0.00 C ATOM 396 CE1 HIS A 26 -11.777 2.859 3.169 1.00 0.00 C ATOM 397 NE2 HIS A 26 -12.225 2.491 1.993 1.00 0.00 N ATOM 0 H HIS A 26 -9.280 -0.194 0.102 1.00 0.00 H new ATOM 0 HA HIS A 26 -8.195 2.547 -0.219 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -8.434 0.774 2.246 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -7.970 2.463 2.208 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -11.244 1.657 0.226 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -12.373 3.260 3.976 1.00 0.00 H new ATOM 0 HE2 HIS A 26 -13.197 2.542 1.690 1.00 0.00 H new ATOM 406 N ILE A 27 -5.699 1.770 0.041 1.00 0.00 N ATOM 407 CA ILE A 27 -4.303 1.294 0.213 1.00 0.00 C ATOM 408 C ILE A 27 -3.580 2.210 1.206 1.00 0.00 C ATOM 409 O ILE A 27 -3.284 3.369 0.917 1.00 0.00 O ATOM 410 CB ILE A 27 -3.501 1.195 -1.151 1.00 0.00 C ATOM 411 CG1 ILE A 27 -4.154 0.121 -2.098 1.00 0.00 C ATOM 412 CG2 ILE A 27 -1.990 0.875 -0.909 1.00 0.00 C ATOM 413 CD1 ILE A 27 -3.393 -0.169 -3.385 1.00 0.00 C ATOM 0 H ILE A 27 -5.776 2.755 -0.213 1.00 0.00 H new ATOM 0 HA ILE A 27 -4.348 0.277 0.603 1.00 0.00 H new ATOM 0 HB ILE A 27 -3.555 2.168 -1.639 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -4.261 -0.811 -1.542 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -5.159 0.454 -2.358 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -1.473 0.815 -1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -1.543 1.664 -0.304 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -1.899 -0.078 -0.387 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.929 -0.922 -3.963 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.308 0.746 -3.971 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -2.397 -0.539 -3.143 1.00 0.00 H new ATOM 425 N ARG A 28 -3.328 1.669 2.390 1.00 0.00 N ATOM 426 CA ARG A 28 -2.565 2.326 3.448 1.00 0.00 C ATOM 427 C ARG A 28 -1.116 1.861 3.356 1.00 0.00 C ATOM 428 O ARG A 28 -0.866 0.692 3.078 1.00 0.00 O ATOM 429 CB ARG A 28 -3.153 1.950 4.831 1.00 0.00 C ATOM 430 CG ARG A 28 -4.620 2.370 5.024 1.00 0.00 C ATOM 431 CD ARG A 28 -5.257 1.772 6.292 1.00 0.00 C ATOM 432 NE ARG A 28 -4.531 2.137 7.536 1.00 0.00 N ATOM 433 CZ ARG A 28 -5.104 2.592 8.666 1.00 0.00 C ATOM 434 NH1 ARG A 28 -6.404 2.858 8.715 1.00 0.00 N ATOM 435 NH2 ARG A 28 -4.360 2.787 9.747 1.00 0.00 N ATOM 0 H ARG A 28 -3.655 0.739 2.650 1.00 0.00 H new ATOM 0 HA ARG A 28 -2.618 3.408 3.331 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.074 0.871 4.966 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -2.548 2.414 5.610 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.677 3.457 5.074 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.198 2.060 4.153 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -6.290 2.112 6.368 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.285 0.686 6.200 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.516 2.034 7.534 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.985 2.718 7.888 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -6.822 3.202 9.579 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.359 2.592 9.719 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.789 3.132 10.606 1.00 0.00 H new ATOM 449 N TYR A 29 -0.177 2.781 3.530 1.00 0.00 N ATOM 450 CA TYR A 29 1.234 2.453 3.761 1.00 0.00 C ATOM 451 C TYR A 29 1.649 3.136 5.065 1.00 0.00 C ATOM 452 O TYR A 29 1.559 4.365 5.199 1.00 0.00 O ATOM 453 CB TYR A 29 2.119 2.867 2.551 1.00 0.00 C ATOM 454 CG TYR A 29 1.998 4.340 2.112 1.00 0.00 C ATOM 455 CD1 TYR A 29 0.900 4.777 1.364 1.00 0.00 C ATOM 456 CD2 TYR A 29 2.969 5.288 2.451 1.00 0.00 C ATOM 457 CE1 TYR A 29 0.779 6.095 0.979 1.00 0.00 C ATOM 458 CE2 TYR A 29 2.840 6.607 2.068 1.00 0.00 C ATOM 459 CZ TYR A 29 1.748 6.999 1.328 1.00 0.00 C ATOM 460 OH TYR A 29 1.613 8.313 0.959 1.00 0.00 O ATOM 0 H TYR A 29 -0.368 3.783 3.516 1.00 0.00 H new ATOM 0 HA TYR A 29 1.374 1.376 3.856 1.00 0.00 H new ATOM 0 HB2 TYR A 29 3.161 2.665 2.799 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.864 2.231 1.703 1.00 0.00 H new ATOM 0 HD1 TYR A 29 0.134 4.070 1.083 1.00 0.00 H new ATOM 0 HD2 TYR A 29 3.834 4.982 3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -0.077 6.414 0.404 1.00 0.00 H new ATOM 0 HE2 TYR A 29 3.593 7.329 2.348 1.00 0.00 H new ATOM 0 HH TYR A 29 1.069 8.370 0.146 1.00 0.00 H new ATOM 470 N GLU A 30 2.024 2.319 6.055 1.00 0.00 N ATOM 471 CA GLU A 30 2.365 2.782 7.401 1.00 0.00 C ATOM 472 C GLU A 30 3.785 2.324 7.728 1.00 0.00 C ATOM 473 O GLU A 30 4.029 1.125 7.900 1.00 0.00 O ATOM 474 CB GLU A 30 1.324 2.199 8.406 1.00 0.00 C ATOM 475 CG GLU A 30 -0.140 2.566 8.065 1.00 0.00 C ATOM 476 CD GLU A 30 -1.199 1.884 8.942 1.00 0.00 C ATOM 477 OE1 GLU A 30 -1.399 2.317 10.095 1.00 0.00 O ATOM 478 OE2 GLU A 30 -1.870 0.942 8.467 1.00 0.00 O ATOM 0 H GLU A 30 2.100 1.308 5.942 1.00 0.00 H new ATOM 0 HA GLU A 30 2.333 3.869 7.468 1.00 0.00 H new ATOM 0 HB2 GLU A 30 1.422 1.114 8.428 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.556 2.561 9.408 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -0.258 3.646 8.152 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -0.331 2.308 7.023 1.00 0.00 H new ATOM 485 N VAL A 31 4.713 3.283 7.816 1.00 0.00 N ATOM 486 CA VAL A 31 6.121 3.010 8.095 1.00 0.00 C ATOM 487 C VAL A 31 6.321 2.923 9.615 1.00 0.00 C ATOM 488 O VAL A 31 6.088 3.896 10.343 1.00 0.00 O ATOM 489 CB VAL A 31 7.047 4.107 7.455 1.00 0.00 C ATOM 490 CG1 VAL A 31 8.545 3.846 7.754 1.00 0.00 C ATOM 491 CG2 VAL A 31 6.801 4.193 5.930 1.00 0.00 C ATOM 0 H VAL A 31 4.504 4.274 7.695 1.00 0.00 H new ATOM 0 HA VAL A 31 6.402 2.058 7.645 1.00 0.00 H new ATOM 0 HB VAL A 31 6.789 5.063 7.910 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.149 4.627 7.293 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.707 3.850 8.832 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.834 2.877 7.347 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.449 4.957 5.499 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.021 3.229 5.471 1.00 0.00 H new ATOM 0 HG23 VAL A 31 5.759 4.454 5.744 1.00 0.00 H new ATOM 501 N ARG A 32 6.732 1.737 10.066 1.00 0.00 N ATOM 502 CA ARG A 32 6.899 1.411 11.485 1.00 0.00 C ATOM 503 C ARG A 32 8.263 0.757 11.715 1.00 0.00 C ATOM 504 O ARG A 32 8.872 0.223 10.785 1.00 0.00 O ATOM 505 CB ARG A 32 5.778 0.439 11.941 1.00 0.00 C ATOM 506 CG ARG A 32 5.705 0.189 13.467 1.00 0.00 C ATOM 507 CD ARG A 32 4.827 -1.011 13.827 1.00 0.00 C ATOM 508 NE ARG A 32 4.739 -1.223 15.285 1.00 0.00 N ATOM 509 CZ ARG A 32 4.528 -2.403 15.884 1.00 0.00 C ATOM 510 NH1 ARG A 32 4.424 -3.521 15.173 1.00 0.00 N ATOM 511 NH2 ARG A 32 4.436 -2.459 17.201 1.00 0.00 N ATOM 0 H ARG A 32 6.963 0.961 9.445 1.00 0.00 H new ATOM 0 HA ARG A 32 6.838 2.332 12.066 1.00 0.00 H new ATOM 0 HB2 ARG A 32 4.818 0.834 11.607 1.00 0.00 H new ATOM 0 HB3 ARG A 32 5.921 -0.518 11.438 1.00 0.00 H new ATOM 0 HG2 ARG A 32 6.711 0.027 13.853 1.00 0.00 H new ATOM 0 HG3 ARG A 32 5.315 1.080 13.959 1.00 0.00 H new ATOM 0 HD2 ARG A 32 3.826 -0.860 13.423 1.00 0.00 H new ATOM 0 HD3 ARG A 32 5.229 -1.907 13.355 1.00 0.00 H new ATOM 0 HE ARG A 32 4.848 -0.405 15.885 1.00 0.00 H new ATOM 0 HH11 ARG A 32 4.505 -3.488 14.157 1.00 0.00 H new ATOM 0 HH12 ARG A 32 4.263 -4.412 15.644 1.00 0.00 H new ATOM 0 HH21 ARG A 32 4.525 -1.607 17.755 1.00 0.00 H new ATOM 0 HH22 ARG A 32 4.275 -3.354 17.663 1.00 0.00 H new ATOM 525 N GLN A 33 8.736 0.804 12.963 1.00 0.00 N ATOM 526 CA GLN A 33 9.942 0.093 13.390 1.00 0.00 C ATOM 527 C GLN A 33 9.517 -0.958 14.440 1.00 0.00 C ATOM 528 O GLN A 33 9.082 -0.591 15.534 1.00 0.00 O ATOM 529 CB GLN A 33 10.981 1.083 14.012 1.00 0.00 C ATOM 530 CG GLN A 33 11.170 2.436 13.278 1.00 0.00 C ATOM 531 CD GLN A 33 11.795 2.331 11.883 1.00 0.00 C ATOM 532 OE1 GLN A 33 13.013 2.318 11.747 1.00 0.00 O ATOM 533 NE2 GLN A 33 10.976 2.317 10.841 1.00 0.00 N ATOM 0 H GLN A 33 8.291 1.339 13.708 1.00 0.00 H new ATOM 0 HA GLN A 33 10.416 -0.385 12.533 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.682 1.291 15.039 1.00 0.00 H new ATOM 0 HB3 GLN A 33 11.947 0.581 14.056 1.00 0.00 H new ATOM 0 HG2 GLN A 33 10.199 2.923 13.190 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.796 3.082 13.893 1.00 0.00 H new ATOM 0 HE21 GLN A 33 9.966 2.328 10.986 1.00 0.00 H new ATOM 0 HE22 GLN A 33 11.355 2.295 9.894 1.00 0.00 H new ATOM 542 N ASN A 34 9.591 -2.251 14.084 1.00 0.00 N ATOM 543 CA ASN A 34 9.369 -3.372 15.044 1.00 0.00 C ATOM 544 C ASN A 34 10.705 -3.936 15.543 1.00 0.00 C ATOM 545 O ASN A 34 11.710 -3.884 14.827 1.00 0.00 O ATOM 546 CB ASN A 34 8.491 -4.509 14.429 1.00 0.00 C ATOM 547 CG ASN A 34 9.112 -5.341 13.288 1.00 0.00 C ATOM 548 OD1 ASN A 34 8.743 -6.492 13.100 1.00 0.00 O ATOM 549 ND2 ASN A 34 10.052 -4.805 12.530 1.00 0.00 N ATOM 0 H ASN A 34 9.804 -2.559 13.135 1.00 0.00 H new ATOM 0 HA ASN A 34 8.822 -2.961 15.893 1.00 0.00 H new ATOM 0 HB2 ASN A 34 8.212 -5.192 15.232 1.00 0.00 H new ATOM 0 HB3 ASN A 34 7.570 -4.061 14.057 1.00 0.00 H new ATOM 0 HD21 ASN A 34 10.476 -5.352 11.781 1.00 0.00 H new ATOM 0 HD22 ASN A 34 10.353 -3.844 12.694 1.00 0.00 H new ATOM 556 N ALA A 35 10.694 -4.492 16.762 1.00 0.00 N ATOM 557 CA ALA A 35 11.879 -5.116 17.390 1.00 0.00 C ATOM 558 C ALA A 35 12.246 -6.439 16.684 1.00 0.00 C ATOM 559 O ALA A 35 13.409 -6.858 16.695 1.00 0.00 O ATOM 560 CB ALA A 35 11.611 -5.356 18.885 1.00 0.00 C ATOM 0 H ALA A 35 9.860 -4.524 17.348 1.00 0.00 H new ATOM 0 HA ALA A 35 12.726 -4.437 17.286 1.00 0.00 H new ATOM 0 HB1 ALA A 35 12.487 -5.816 19.342 1.00 0.00 H new ATOM 0 HB2 ALA A 35 11.403 -4.405 19.375 1.00 0.00 H new ATOM 0 HB3 ALA A 35 10.753 -6.018 18.999 1.00 0.00 H new ATOM 566 N GLU A 36 11.226 -7.062 16.067 1.00 0.00 N ATOM 567 CA GLU A 36 11.340 -8.355 15.378 1.00 0.00 C ATOM 568 C GLU A 36 12.235 -8.272 14.121 1.00 0.00 C ATOM 569 O GLU A 36 13.199 -9.033 13.987 1.00 0.00 O ATOM 570 CB GLU A 36 9.910 -8.849 15.008 1.00 0.00 C ATOM 571 CG GLU A 36 9.856 -10.163 14.204 1.00 0.00 C ATOM 572 CD GLU A 36 8.424 -10.610 13.868 1.00 0.00 C ATOM 573 OE1 GLU A 36 7.798 -11.323 14.684 1.00 0.00 O ATOM 574 OE2 GLU A 36 7.906 -10.236 12.790 1.00 0.00 O ATOM 0 H GLU A 36 10.284 -6.672 16.034 1.00 0.00 H new ATOM 0 HA GLU A 36 11.821 -9.066 16.050 1.00 0.00 H new ATOM 0 HB2 GLU A 36 9.340 -8.981 15.927 1.00 0.00 H new ATOM 0 HB3 GLU A 36 9.411 -8.069 14.433 1.00 0.00 H new ATOM 0 HG2 GLU A 36 10.417 -10.038 13.278 1.00 0.00 H new ATOM 0 HG3 GLU A 36 10.351 -10.950 14.773 1.00 0.00 H new ATOM 581 N SER A 37 11.925 -7.327 13.215 1.00 0.00 N ATOM 582 CA SER A 37 12.517 -7.285 11.855 1.00 0.00 C ATOM 583 C SER A 37 13.153 -5.916 11.520 1.00 0.00 C ATOM 584 O SER A 37 13.683 -5.741 10.418 1.00 0.00 O ATOM 585 CB SER A 37 11.411 -7.647 10.830 1.00 0.00 C ATOM 586 OG SER A 37 10.825 -8.913 11.116 1.00 0.00 O ATOM 0 H SER A 37 11.262 -6.573 13.398 1.00 0.00 H new ATOM 0 HA SER A 37 13.331 -8.009 11.810 1.00 0.00 H new ATOM 0 HB2 SER A 37 10.639 -6.878 10.840 1.00 0.00 H new ATOM 0 HB3 SER A 37 11.835 -7.660 9.826 1.00 0.00 H new ATOM 0 HG SER A 37 10.131 -9.110 10.452 1.00 0.00 H new ATOM 592 N GLY A 38 13.093 -4.949 12.459 1.00 0.00 N ATOM 593 CA GLY A 38 13.705 -3.625 12.260 1.00 0.00 C ATOM 594 C GLY A 38 12.750 -2.628 11.599 1.00 0.00 C ATOM 595 O GLY A 38 11.587 -2.519 12.001 1.00 0.00 O ATOM 0 H GLY A 38 12.627 -5.063 13.359 1.00 0.00 H new ATOM 0 HA2 GLY A 38 14.028 -3.230 13.223 1.00 0.00 H new ATOM 0 HA3 GLY A 38 14.598 -3.731 11.644 1.00 0.00 H new ATOM 599 N ALA A 39 13.239 -1.894 10.588 1.00 0.00 N ATOM 600 CA ALA A 39 12.422 -0.929 9.831 1.00 0.00 C ATOM 601 C ALA A 39 11.611 -1.655 8.744 1.00 0.00 C ATOM 602 O ALA A 39 12.170 -2.448 7.976 1.00 0.00 O ATOM 603 CB ALA A 39 13.316 0.154 9.205 1.00 0.00 C ATOM 0 H ALA A 39 14.207 -1.951 10.272 1.00 0.00 H new ATOM 0 HA ALA A 39 11.726 -0.446 10.517 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.698 0.859 8.649 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.852 0.683 9.993 1.00 0.00 H new ATOM 0 HB3 ALA A 39 14.033 -0.312 8.529 1.00 0.00 H new ATOM 609 N TYR A 40 10.301 -1.367 8.677 1.00 0.00 N ATOM 610 CA TYR A 40 9.389 -2.011 7.710 1.00 0.00 C ATOM 611 C TYR A 40 8.154 -1.135 7.460 1.00 0.00 C ATOM 612 O TYR A 40 7.977 -0.093 8.105 1.00 0.00 O ATOM 613 CB TYR A 40 8.988 -3.444 8.187 1.00 0.00 C ATOM 614 CG TYR A 40 7.859 -3.529 9.236 1.00 0.00 C ATOM 615 CD1 TYR A 40 8.027 -3.033 10.531 1.00 0.00 C ATOM 616 CD2 TYR A 40 6.627 -4.132 8.931 1.00 0.00 C ATOM 617 CE1 TYR A 40 7.019 -3.132 11.471 1.00 0.00 C ATOM 618 CE2 TYR A 40 5.621 -4.224 9.871 1.00 0.00 C ATOM 619 CZ TYR A 40 5.823 -3.729 11.138 1.00 0.00 C ATOM 620 OH TYR A 40 4.826 -3.845 12.086 1.00 0.00 O ATOM 0 H TYR A 40 9.844 -0.687 9.285 1.00 0.00 H new ATOM 0 HA TYR A 40 9.917 -2.118 6.762 1.00 0.00 H new ATOM 0 HB2 TYR A 40 8.687 -4.023 7.314 1.00 0.00 H new ATOM 0 HB3 TYR A 40 9.874 -3.927 8.599 1.00 0.00 H new ATOM 0 HD1 TYR A 40 8.961 -2.564 10.802 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.464 -4.532 7.941 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.169 -2.741 12.467 1.00 0.00 H new ATOM 0 HE2 TYR A 40 4.678 -4.683 9.613 1.00 0.00 H new ATOM 0 HH TYR A 40 4.047 -4.288 11.689 1.00 0.00 H new ATOM 630 N VAL A 41 7.311 -1.551 6.498 1.00 0.00 N ATOM 631 CA VAL A 41 6.071 -0.838 6.142 1.00 0.00 C ATOM 632 C VAL A 41 4.905 -1.843 6.057 1.00 0.00 C ATOM 633 O VAL A 41 4.988 -2.854 5.347 1.00 0.00 O ATOM 634 CB VAL A 41 6.195 -0.065 4.771 1.00 0.00 C ATOM 635 CG1 VAL A 41 4.966 0.848 4.517 1.00 0.00 C ATOM 636 CG2 VAL A 41 7.504 0.750 4.695 1.00 0.00 C ATOM 0 H VAL A 41 7.471 -2.393 5.944 1.00 0.00 H new ATOM 0 HA VAL A 41 5.884 -0.100 6.922 1.00 0.00 H new ATOM 0 HB VAL A 41 6.222 -0.818 3.983 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.087 1.364 3.564 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.061 0.241 4.489 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.886 1.582 5.319 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.555 1.269 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.526 1.480 5.504 1.00 0.00 H new ATOM 0 HG23 VAL A 41 8.357 0.078 4.789 1.00 0.00 H new ATOM 646 N HIS A 42 3.834 -1.558 6.809 1.00 0.00 N ATOM 647 CA HIS A 42 2.570 -2.305 6.748 1.00 0.00 C ATOM 648 C HIS A 42 1.665 -1.699 5.662 1.00 0.00 C ATOM 649 O HIS A 42 1.300 -0.524 5.745 1.00 0.00 O ATOM 650 CB HIS A 42 1.872 -2.263 8.132 1.00 0.00 C ATOM 651 CG HIS A 42 0.455 -2.793 8.160 1.00 0.00 C ATOM 652 ND1 HIS A 42 0.147 -4.130 8.239 1.00 0.00 N ATOM 653 CD2 HIS A 42 -0.735 -2.148 8.117 1.00 0.00 C ATOM 654 CE1 HIS A 42 -1.159 -4.283 8.237 1.00 0.00 C ATOM 655 NE2 HIS A 42 -1.715 -3.099 8.167 1.00 0.00 N ATOM 0 H HIS A 42 3.820 -0.794 7.484 1.00 0.00 H new ATOM 0 HA HIS A 42 2.770 -3.346 6.493 1.00 0.00 H new ATOM 0 HB2 HIS A 42 2.471 -2.837 8.840 1.00 0.00 H new ATOM 0 HB3 HIS A 42 1.863 -1.232 8.485 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -0.882 -1.080 8.055 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -1.684 -5.225 8.285 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -2.718 -2.916 8.152 1.00 0.00 H new ATOM 664 N PHE A 43 1.313 -2.503 4.653 1.00 0.00 N ATOM 665 CA PHE A 43 0.374 -2.105 3.592 1.00 0.00 C ATOM 666 C PHE A 43 -0.988 -2.761 3.879 1.00 0.00 C ATOM 667 O PHE A 43 -1.045 -3.972 4.108 1.00 0.00 O ATOM 668 CB PHE A 43 0.930 -2.524 2.208 1.00 0.00 C ATOM 669 CG PHE A 43 2.340 -1.990 1.923 1.00 0.00 C ATOM 670 CD1 PHE A 43 2.530 -0.693 1.444 1.00 0.00 C ATOM 671 CD2 PHE A 43 3.474 -2.782 2.144 1.00 0.00 C ATOM 672 CE1 PHE A 43 3.802 -0.209 1.191 1.00 0.00 C ATOM 673 CE2 PHE A 43 4.738 -2.296 1.889 1.00 0.00 C ATOM 674 CZ PHE A 43 4.903 -1.011 1.412 1.00 0.00 C ATOM 0 H PHE A 43 1.671 -3.452 4.546 1.00 0.00 H new ATOM 0 HA PHE A 43 0.249 -1.022 3.576 1.00 0.00 H new ATOM 0 HB2 PHE A 43 0.944 -3.612 2.146 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.253 -2.169 1.431 1.00 0.00 H new ATOM 0 HD1 PHE A 43 1.674 -0.059 1.268 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.356 -3.788 2.520 1.00 0.00 H new ATOM 0 HE1 PHE A 43 3.933 0.797 0.820 1.00 0.00 H new ATOM 0 HE2 PHE A 43 5.601 -2.921 2.063 1.00 0.00 H new ATOM 0 HZ PHE A 43 5.895 -0.633 1.212 1.00 0.00 H new ATOM 684 N ASP A 44 -2.070 -1.961 3.899 1.00 0.00 N ATOM 685 CA ASP A 44 -3.404 -2.414 4.366 1.00 0.00 C ATOM 686 C ASP A 44 -4.493 -2.047 3.336 1.00 0.00 C ATOM 687 O ASP A 44 -4.635 -0.878 2.974 1.00 0.00 O ATOM 688 CB ASP A 44 -3.696 -1.754 5.737 1.00 0.00 C ATOM 689 CG ASP A 44 -4.901 -2.365 6.468 1.00 0.00 C ATOM 690 OD1 ASP A 44 -6.049 -1.944 6.225 1.00 0.00 O ATOM 691 OD2 ASP A 44 -4.703 -3.294 7.286 1.00 0.00 O ATOM 0 H ASP A 44 -2.051 -0.988 3.595 1.00 0.00 H new ATOM 0 HA ASP A 44 -3.409 -3.499 4.475 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -2.813 -1.844 6.370 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.874 -0.689 5.588 1.00 0.00 H new ATOM 696 N MET A 45 -5.250 -3.057 2.866 1.00 0.00 N ATOM 697 CA MET A 45 -6.270 -2.903 1.802 1.00 0.00 C ATOM 698 C MET A 45 -7.658 -3.362 2.293 1.00 0.00 C ATOM 699 O MET A 45 -7.785 -4.443 2.865 1.00 0.00 O ATOM 700 CB MET A 45 -5.844 -3.728 0.551 1.00 0.00 C ATOM 701 CG MET A 45 -4.509 -3.292 -0.087 1.00 0.00 C ATOM 702 SD MET A 45 -3.933 -4.424 -1.374 1.00 0.00 S ATOM 703 CE MET A 45 -5.307 -4.437 -2.525 1.00 0.00 C ATOM 0 H MET A 45 -5.173 -4.012 3.215 1.00 0.00 H new ATOM 0 HA MET A 45 -6.340 -1.848 1.538 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.770 -4.778 0.834 1.00 0.00 H new ATOM 0 HB3 MET A 45 -6.631 -3.655 -0.200 1.00 0.00 H new ATOM 0 HG2 MET A 45 -4.626 -2.296 -0.514 1.00 0.00 H new ATOM 0 HG3 MET A 45 -3.749 -3.219 0.691 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.061 -5.069 -3.378 1.00 0.00 H new ATOM 0 HE2 MET A 45 -6.195 -4.828 -2.028 1.00 0.00 H new ATOM 0 HE3 MET A 45 -5.502 -3.422 -2.870 1.00 0.00 H new ATOM 713 N ASP A 46 -8.694 -2.537 2.048 1.00 0.00 N ATOM 714 CA ASP A 46 -10.091 -2.850 2.441 1.00 0.00 C ATOM 715 C ASP A 46 -11.097 -2.117 1.532 1.00 0.00 C ATOM 716 O ASP A 46 -10.784 -1.074 0.969 1.00 0.00 O ATOM 717 CB ASP A 46 -10.349 -2.474 3.928 1.00 0.00 C ATOM 718 CG ASP A 46 -10.228 -0.961 4.215 1.00 0.00 C ATOM 719 OD1 ASP A 46 -9.093 -0.445 4.266 1.00 0.00 O ATOM 720 OD2 ASP A 46 -11.267 -0.278 4.391 1.00 0.00 O ATOM 0 H ASP A 46 -8.593 -1.639 1.575 1.00 0.00 H new ATOM 0 HA ASP A 46 -10.233 -3.924 2.323 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -11.347 -2.810 4.211 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -9.641 -3.012 4.558 1.00 0.00 H new ATOM 725 N GLY A 47 -12.304 -2.683 1.406 1.00 0.00 N ATOM 726 CA GLY A 47 -13.396 -2.088 0.611 1.00 0.00 C ATOM 727 C GLY A 47 -14.454 -3.132 0.300 1.00 0.00 C ATOM 728 O GLY A 47 -14.592 -4.083 1.076 1.00 0.00 O ATOM 0 H GLY A 47 -12.555 -3.566 1.851 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -13.844 -1.259 1.159 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -12.997 -1.678 -0.317 1.00 0.00 H new ATOM 732 N GLU A 48 -15.200 -3.001 -0.828 1.00 0.00 N ATOM 733 CA GLU A 48 -16.152 -4.047 -1.251 1.00 0.00 C ATOM 734 C GLU A 48 -16.229 -4.161 -2.785 1.00 0.00 C ATOM 735 O GLU A 48 -16.698 -3.261 -3.493 1.00 0.00 O ATOM 736 CB GLU A 48 -17.560 -3.833 -0.641 1.00 0.00 C ATOM 737 CG GLU A 48 -18.225 -2.472 -0.932 1.00 0.00 C ATOM 738 CD GLU A 48 -19.609 -2.328 -0.283 1.00 0.00 C ATOM 739 OE1 GLU A 48 -19.669 -2.088 0.942 1.00 0.00 O ATOM 740 OE2 GLU A 48 -20.635 -2.452 -0.989 1.00 0.00 O ATOM 0 H GLU A 48 -15.158 -2.192 -1.448 1.00 0.00 H new ATOM 0 HA GLU A 48 -15.768 -4.991 -0.865 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -18.217 -4.621 -1.009 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -17.488 -3.956 0.440 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -17.577 -1.673 -0.572 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -18.321 -2.344 -2.010 1.00 0.00 H new ATOM 747 N ILE A 49 -15.703 -5.285 -3.271 1.00 0.00 N ATOM 748 CA ILE A 49 -15.764 -5.643 -4.703 1.00 0.00 C ATOM 749 C ILE A 49 -16.907 -6.625 -4.964 1.00 0.00 C ATOM 750 O ILE A 49 -16.965 -7.678 -4.333 1.00 0.00 O ATOM 751 CB ILE A 49 -14.395 -6.244 -5.175 1.00 0.00 C ATOM 752 CG1 ILE A 49 -13.243 -5.200 -4.972 1.00 0.00 C ATOM 753 CG2 ILE A 49 -14.471 -6.715 -6.643 1.00 0.00 C ATOM 754 CD1 ILE A 49 -11.858 -5.687 -5.361 1.00 0.00 C ATOM 0 H ILE A 49 -15.223 -5.975 -2.693 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.957 -4.738 -5.278 1.00 0.00 H new ATOM 0 HB ILE A 49 -14.174 -7.119 -4.563 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -13.475 -4.308 -5.554 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -13.225 -4.901 -3.924 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -13.508 -7.127 -6.943 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -15.240 -7.482 -6.740 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.719 -5.869 -7.284 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -11.131 -4.895 -5.184 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -11.597 -6.559 -4.761 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -11.851 -5.957 -6.417 1.00 0.00 H new ATOM 766 N ASP A 50 -17.811 -6.239 -5.902 1.00 0.00 N ATOM 767 CA ASP A 50 -19.098 -6.920 -6.169 1.00 0.00 C ATOM 768 C ASP A 50 -20.009 -6.822 -4.928 1.00 0.00 C ATOM 769 O ASP A 50 -20.922 -7.632 -4.734 1.00 0.00 O ATOM 770 CB ASP A 50 -18.899 -8.400 -6.626 1.00 0.00 C ATOM 771 CG ASP A 50 -18.166 -8.531 -7.974 1.00 0.00 C ATOM 772 OD1 ASP A 50 -16.921 -8.556 -7.994 1.00 0.00 O ATOM 773 OD2 ASP A 50 -18.840 -8.613 -9.024 1.00 0.00 O ATOM 0 H ASP A 50 -17.659 -5.429 -6.504 1.00 0.00 H new ATOM 0 HA ASP A 50 -19.586 -6.411 -7.000 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -18.336 -8.936 -5.862 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -19.873 -8.883 -6.702 1.00 0.00 H new ATOM 778 N GLY A 51 -19.750 -5.784 -4.107 1.00 0.00 N ATOM 779 CA GLY A 51 -20.440 -5.577 -2.843 1.00 0.00 C ATOM 780 C GLY A 51 -19.942 -6.483 -1.728 1.00 0.00 C ATOM 781 O GLY A 51 -20.580 -6.561 -0.677 1.00 0.00 O ATOM 0 H GLY A 51 -19.052 -5.070 -4.314 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -20.319 -4.538 -2.538 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -21.507 -5.745 -2.988 1.00 0.00 H new ATOM 785 N LYS A 52 -18.813 -7.194 -1.957 1.00 0.00 N ATOM 786 CA LYS A 52 -18.222 -8.120 -0.975 1.00 0.00 C ATOM 787 C LYS A 52 -17.125 -7.431 -0.138 1.00 0.00 C ATOM 788 O LYS A 52 -16.045 -7.150 -0.675 1.00 0.00 O ATOM 789 CB LYS A 52 -17.631 -9.348 -1.711 1.00 0.00 C ATOM 790 CG LYS A 52 -18.664 -10.165 -2.524 1.00 0.00 C ATOM 791 CD LYS A 52 -18.034 -11.364 -3.274 1.00 0.00 C ATOM 792 CE LYS A 52 -16.970 -10.939 -4.302 1.00 0.00 C ATOM 793 NZ LYS A 52 -16.437 -12.096 -5.067 1.00 0.00 N ATOM 0 H LYS A 52 -18.289 -7.138 -2.830 1.00 0.00 H new ATOM 0 HA LYS A 52 -19.009 -8.441 -0.293 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -16.844 -9.009 -2.384 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -17.162 -10.005 -0.978 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -19.439 -10.532 -1.851 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -19.152 -9.509 -3.245 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -17.581 -12.041 -2.550 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -18.821 -11.921 -3.783 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -17.403 -10.217 -4.994 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -16.151 -10.437 -3.788 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.724 -11.764 -5.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -16.000 -12.774 -4.411 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -17.214 -12.561 -5.579 1.00 0.00 H new ATOM 807 N PRO A 53 -17.383 -7.143 1.185 1.00 0.00 N ATOM 808 CA PRO A 53 -16.372 -6.551 2.088 1.00 0.00 C ATOM 809 C PRO A 53 -15.172 -7.494 2.297 1.00 0.00 C ATOM 810 O PRO A 53 -15.346 -8.697 2.544 1.00 0.00 O ATOM 811 CB PRO A 53 -17.149 -6.299 3.411 1.00 0.00 C ATOM 812 CG PRO A 53 -18.301 -7.254 3.357 1.00 0.00 C ATOM 813 CD PRO A 53 -18.678 -7.346 1.894 1.00 0.00 C ATOM 0 HA PRO A 53 -15.937 -5.637 1.684 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -16.520 -6.484 4.282 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.492 -5.267 3.479 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -18.021 -8.230 3.753 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -19.138 -6.895 3.957 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -19.119 -8.313 1.654 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -19.409 -6.585 1.620 1.00 0.00 H new ATOM 821 N PHE A 54 -13.962 -6.935 2.191 1.00 0.00 N ATOM 822 CA PHE A 54 -12.712 -7.685 2.356 1.00 0.00 C ATOM 823 C PHE A 54 -11.732 -6.850 3.184 1.00 0.00 C ATOM 824 O PHE A 54 -11.748 -5.614 3.120 1.00 0.00 O ATOM 825 CB PHE A 54 -12.086 -8.074 0.974 1.00 0.00 C ATOM 826 CG PHE A 54 -11.519 -6.910 0.144 1.00 0.00 C ATOM 827 CD1 PHE A 54 -12.355 -6.101 -0.626 1.00 0.00 C ATOM 828 CD2 PHE A 54 -10.145 -6.623 0.146 1.00 0.00 C ATOM 829 CE1 PHE A 54 -11.841 -5.057 -1.372 1.00 0.00 C ATOM 830 CE2 PHE A 54 -9.636 -5.579 -0.601 1.00 0.00 C ATOM 831 CZ PHE A 54 -10.485 -4.795 -1.352 1.00 0.00 C ATOM 0 H PHE A 54 -13.821 -5.945 1.987 1.00 0.00 H new ATOM 0 HA PHE A 54 -12.928 -8.616 2.879 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -11.287 -8.794 1.148 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.848 -8.581 0.381 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -13.418 -6.293 -0.639 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.476 -7.228 0.740 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.500 -4.446 -1.971 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.575 -5.377 -0.597 1.00 0.00 H new ATOM 0 HZ PHE A 54 -10.088 -3.972 -1.928 1.00 0.00 H new ATOM 841 N SER A 55 -10.903 -7.535 3.972 1.00 0.00 N ATOM 842 CA SER A 55 -9.770 -6.936 4.672 1.00 0.00 C ATOM 843 C SER A 55 -8.554 -7.838 4.436 1.00 0.00 C ATOM 844 O SER A 55 -8.519 -8.997 4.877 1.00 0.00 O ATOM 845 CB SER A 55 -10.087 -6.754 6.174 1.00 0.00 C ATOM 846 OG SER A 55 -10.434 -7.984 6.791 1.00 0.00 O ATOM 0 H SER A 55 -11.002 -8.536 4.143 1.00 0.00 H new ATOM 0 HA SER A 55 -9.558 -5.938 4.289 1.00 0.00 H new ATOM 0 HB2 SER A 55 -9.221 -6.325 6.679 1.00 0.00 H new ATOM 0 HB3 SER A 55 -10.907 -6.045 6.289 1.00 0.00 H new ATOM 0 HG SER A 55 -10.004 -8.723 6.312 1.00 0.00 H new ATOM 852 N ASP A 56 -7.581 -7.304 3.701 1.00 0.00 N ATOM 853 CA ASP A 56 -6.396 -8.033 3.237 1.00 0.00 C ATOM 854 C ASP A 56 -5.196 -7.094 3.373 1.00 0.00 C ATOM 855 O ASP A 56 -5.292 -5.924 3.004 1.00 0.00 O ATOM 856 CB ASP A 56 -6.594 -8.471 1.754 1.00 0.00 C ATOM 857 CG ASP A 56 -5.541 -9.481 1.253 1.00 0.00 C ATOM 858 OD1 ASP A 56 -4.357 -9.116 1.097 1.00 0.00 O ATOM 859 OD2 ASP A 56 -5.897 -10.649 0.993 1.00 0.00 O ATOM 0 H ASP A 56 -7.592 -6.329 3.403 1.00 0.00 H new ATOM 0 HA ASP A 56 -6.233 -8.933 3.829 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -7.585 -8.911 1.645 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -6.566 -7.586 1.118 1.00 0.00 H new ATOM 864 N SER A 57 -4.068 -7.602 3.874 1.00 0.00 N ATOM 865 CA SER A 57 -2.895 -6.768 4.183 1.00 0.00 C ATOM 866 C SER A 57 -1.600 -7.567 3.993 1.00 0.00 C ATOM 867 O SER A 57 -1.564 -8.779 4.235 1.00 0.00 O ATOM 868 CB SER A 57 -3.015 -6.204 5.626 1.00 0.00 C ATOM 869 OG SER A 57 -3.250 -7.234 6.577 1.00 0.00 O ATOM 0 H SER A 57 -3.938 -8.593 4.077 1.00 0.00 H new ATOM 0 HA SER A 57 -2.861 -5.926 3.492 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.100 -5.671 5.885 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.828 -5.479 5.667 1.00 0.00 H new ATOM 0 HG SER A 57 -3.318 -6.843 7.473 1.00 0.00 H new ATOM 875 N PHE A 58 -0.547 -6.869 3.541 1.00 0.00 N ATOM 876 CA PHE A 58 0.786 -7.442 3.301 1.00 0.00 C ATOM 877 C PHE A 58 1.855 -6.471 3.813 1.00 0.00 C ATOM 878 O PHE A 58 1.696 -5.259 3.707 1.00 0.00 O ATOM 879 CB PHE A 58 0.995 -7.763 1.793 1.00 0.00 C ATOM 880 CG PHE A 58 0.922 -6.562 0.832 1.00 0.00 C ATOM 881 CD1 PHE A 58 -0.307 -6.070 0.380 1.00 0.00 C ATOM 882 CD2 PHE A 58 2.083 -5.945 0.361 1.00 0.00 C ATOM 883 CE1 PHE A 58 -0.364 -5.002 -0.497 1.00 0.00 C ATOM 884 CE2 PHE A 58 2.022 -4.885 -0.518 1.00 0.00 C ATOM 885 CZ PHE A 58 0.803 -4.413 -0.948 1.00 0.00 C ATOM 0 H PHE A 58 -0.599 -5.873 3.328 1.00 0.00 H new ATOM 0 HA PHE A 58 0.872 -8.383 3.844 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.968 -8.239 1.675 1.00 0.00 H new ATOM 0 HB3 PHE A 58 0.244 -8.492 1.489 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -1.223 -6.530 0.720 1.00 0.00 H new ATOM 0 HD2 PHE A 58 3.046 -6.305 0.691 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -1.321 -4.628 -0.830 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.933 -4.424 -0.870 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.758 -3.583 -1.637 1.00 0.00 H new ATOM 895 N GLU A 59 2.932 -7.013 4.392 1.00 0.00 N ATOM 896 CA GLU A 59 4.045 -6.212 4.938 1.00 0.00 C ATOM 897 C GLU A 59 5.315 -6.517 4.150 1.00 0.00 C ATOM 898 O GLU A 59 5.565 -7.671 3.772 1.00 0.00 O ATOM 899 CB GLU A 59 4.286 -6.489 6.453 1.00 0.00 C ATOM 900 CG GLU A 59 3.116 -6.128 7.399 1.00 0.00 C ATOM 901 CD GLU A 59 1.895 -7.059 7.275 1.00 0.00 C ATOM 902 OE1 GLU A 59 2.033 -8.264 7.564 1.00 0.00 O ATOM 903 OE2 GLU A 59 0.795 -6.591 6.903 1.00 0.00 O ATOM 0 H GLU A 59 3.061 -8.019 4.498 1.00 0.00 H new ATOM 0 HA GLU A 59 3.778 -5.160 4.840 1.00 0.00 H new ATOM 0 HB2 GLU A 59 4.515 -7.547 6.577 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.168 -5.932 6.769 1.00 0.00 H new ATOM 0 HG2 GLU A 59 3.475 -6.152 8.428 1.00 0.00 H new ATOM 0 HG3 GLU A 59 2.801 -5.105 7.195 1.00 0.00 H new ATOM 910 N LEU A 60 6.099 -5.466 3.894 1.00 0.00 N ATOM 911 CA LEU A 60 7.420 -5.559 3.269 1.00 0.00 C ATOM 912 C LEU A 60 8.400 -4.706 4.083 1.00 0.00 C ATOM 913 O LEU A 60 8.043 -3.586 4.469 1.00 0.00 O ATOM 914 CB LEU A 60 7.356 -5.062 1.800 1.00 0.00 C ATOM 915 CG LEU A 60 6.525 -5.945 0.814 1.00 0.00 C ATOM 916 CD1 LEU A 60 6.325 -5.241 -0.544 1.00 0.00 C ATOM 917 CD2 LEU A 60 7.181 -7.337 0.630 1.00 0.00 C ATOM 0 H LEU A 60 5.828 -4.509 4.120 1.00 0.00 H new ATOM 0 HA LEU A 60 7.756 -6.596 3.257 1.00 0.00 H new ATOM 0 HB2 LEU A 60 6.938 -4.055 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 60 8.374 -4.986 1.418 1.00 0.00 H new ATOM 0 HG LEU A 60 5.539 -6.092 1.254 1.00 0.00 H new ATOM 0 HD11 LEU A 60 5.743 -5.884 -1.205 1.00 0.00 H new ATOM 0 HD12 LEU A 60 5.794 -4.301 -0.392 1.00 0.00 H new ATOM 0 HD13 LEU A 60 7.296 -5.040 -0.996 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.584 -7.932 -0.061 1.00 0.00 H new ATOM 0 HD22 LEU A 60 8.187 -7.215 0.228 1.00 0.00 H new ATOM 0 HD23 LEU A 60 7.235 -7.844 1.593 1.00 0.00 H new ATOM 929 N PRO A 61 9.643 -5.213 4.375 1.00 0.00 N ATOM 930 CA PRO A 61 10.685 -4.417 5.056 1.00 0.00 C ATOM 931 C PRO A 61 11.132 -3.217 4.204 1.00 0.00 C ATOM 932 O PRO A 61 10.821 -3.146 3.019 1.00 0.00 O ATOM 933 CB PRO A 61 11.839 -5.435 5.283 1.00 0.00 C ATOM 934 CG PRO A 61 11.632 -6.466 4.218 1.00 0.00 C ATOM 935 CD PRO A 61 10.129 -6.592 4.076 1.00 0.00 C ATOM 0 HA PRO A 61 10.334 -3.974 5.988 1.00 0.00 H new ATOM 0 HB2 PRO A 61 12.815 -4.958 5.192 1.00 0.00 H new ATOM 0 HB3 PRO A 61 11.792 -5.876 6.279 1.00 0.00 H new ATOM 0 HG2 PRO A 61 12.092 -6.160 3.279 1.00 0.00 H new ATOM 0 HG3 PRO A 61 12.083 -7.418 4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 61 9.844 -6.911 3.073 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.718 -7.324 4.772 1.00 0.00 H new ATOM 943 N ARG A 62 11.833 -2.280 4.852 1.00 0.00 N ATOM 944 CA ARG A 62 12.477 -1.101 4.224 1.00 0.00 C ATOM 945 C ARG A 62 13.131 -1.394 2.832 1.00 0.00 C ATOM 946 O ARG A 62 13.056 -0.566 1.917 1.00 0.00 O ATOM 947 CB ARG A 62 13.548 -0.557 5.211 1.00 0.00 C ATOM 948 CG ARG A 62 14.645 -1.590 5.553 1.00 0.00 C ATOM 949 CD ARG A 62 15.745 -1.056 6.474 1.00 0.00 C ATOM 950 NE ARG A 62 16.764 -2.088 6.740 1.00 0.00 N ATOM 951 CZ ARG A 62 17.531 -2.168 7.839 1.00 0.00 C ATOM 952 NH1 ARG A 62 17.446 -1.260 8.801 1.00 0.00 N ATOM 953 NH2 ARG A 62 18.394 -3.164 7.961 1.00 0.00 N ATOM 0 H ARG A 62 11.978 -2.315 5.861 1.00 0.00 H new ATOM 0 HA ARG A 62 11.696 -0.367 4.027 1.00 0.00 H new ATOM 0 HB2 ARG A 62 14.014 0.328 4.778 1.00 0.00 H new ATOM 0 HB3 ARG A 62 13.057 -0.241 6.131 1.00 0.00 H new ATOM 0 HG2 ARG A 62 14.179 -2.455 6.026 1.00 0.00 H new ATOM 0 HG3 ARG A 62 15.100 -1.940 4.627 1.00 0.00 H new ATOM 0 HD2 ARG A 62 16.216 -0.186 6.017 1.00 0.00 H new ATOM 0 HD3 ARG A 62 15.306 -0.723 7.415 1.00 0.00 H new ATOM 0 HE ARG A 62 16.898 -2.804 6.026 1.00 0.00 H new ATOM 0 HH11 ARG A 62 16.790 -0.484 8.713 1.00 0.00 H new ATOM 0 HH12 ARG A 62 18.037 -1.337 9.629 1.00 0.00 H new ATOM 0 HH21 ARG A 62 18.473 -3.864 7.223 1.00 0.00 H new ATOM 0 HH22 ARG A 62 18.980 -3.232 8.793 1.00 0.00 H new ATOM 967 N ASP A 63 13.731 -2.597 2.684 1.00 0.00 N ATOM 968 CA ASP A 63 14.501 -2.992 1.490 1.00 0.00 C ATOM 969 C ASP A 63 13.615 -3.418 0.296 1.00 0.00 C ATOM 970 O ASP A 63 14.085 -3.418 -0.845 1.00 0.00 O ATOM 971 CB ASP A 63 15.477 -4.141 1.857 1.00 0.00 C ATOM 972 CG ASP A 63 16.594 -3.700 2.820 1.00 0.00 C ATOM 973 OD1 ASP A 63 17.605 -3.136 2.349 1.00 0.00 O ATOM 974 OD2 ASP A 63 16.472 -3.908 4.048 1.00 0.00 O ATOM 0 H ASP A 63 13.692 -3.325 3.398 1.00 0.00 H new ATOM 0 HA ASP A 63 15.051 -2.109 1.166 1.00 0.00 H new ATOM 0 HB2 ASP A 63 14.914 -4.956 2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 63 15.926 -4.534 0.945 1.00 0.00 H new ATOM 979 N THR A 64 12.345 -3.766 0.547 1.00 0.00 N ATOM 980 CA THR A 64 11.416 -4.284 -0.497 1.00 0.00 C ATOM 981 C THR A 64 10.071 -3.537 -0.469 1.00 0.00 C ATOM 982 O THR A 64 9.175 -3.859 -1.255 1.00 0.00 O ATOM 983 CB THR A 64 11.171 -5.818 -0.336 1.00 0.00 C ATOM 984 OG1 THR A 64 10.706 -6.099 0.990 1.00 0.00 O ATOM 985 CG2 THR A 64 12.440 -6.644 -0.626 1.00 0.00 C ATOM 0 H THR A 64 11.923 -3.701 1.473 1.00 0.00 H new ATOM 0 HA THR A 64 11.894 -4.109 -1.461 1.00 0.00 H new ATOM 0 HB THR A 64 10.416 -6.107 -1.067 1.00 0.00 H new ATOM 0 HG1 THR A 64 11.124 -6.923 1.315 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.220 -7.704 -0.501 1.00 0.00 H new ATOM 0 HG22 THR A 64 12.768 -6.459 -1.649 1.00 0.00 H new ATOM 0 HG23 THR A 64 13.230 -6.353 0.067 1.00 0.00 H new ATOM 993 N ALA A 65 9.964 -2.522 0.417 1.00 0.00 N ATOM 994 CA ALA A 65 8.744 -1.705 0.606 1.00 0.00 C ATOM 995 C ALA A 65 8.261 -1.070 -0.709 1.00 0.00 C ATOM 996 O ALA A 65 7.068 -1.032 -0.994 1.00 0.00 O ATOM 997 CB ALA A 65 9.009 -0.618 1.657 1.00 0.00 C ATOM 0 H ALA A 65 10.732 -2.244 1.028 1.00 0.00 H new ATOM 0 HA ALA A 65 7.950 -2.367 0.952 1.00 0.00 H new ATOM 0 HB1 ALA A 65 8.110 -0.018 1.794 1.00 0.00 H new ATOM 0 HB2 ALA A 65 9.281 -1.085 2.603 1.00 0.00 H new ATOM 0 HB3 ALA A 65 9.824 0.022 1.321 1.00 0.00 H new ATOM 1003 N PHE A 66 9.228 -0.596 -1.502 1.00 0.00 N ATOM 1004 CA PHE A 66 8.982 0.102 -2.778 1.00 0.00 C ATOM 1005 C PHE A 66 8.472 -0.851 -3.880 1.00 0.00 C ATOM 1006 O PHE A 66 7.856 -0.401 -4.842 1.00 0.00 O ATOM 1007 CB PHE A 66 10.277 0.829 -3.226 1.00 0.00 C ATOM 1008 CG PHE A 66 10.954 1.603 -2.087 1.00 0.00 C ATOM 1009 CD1 PHE A 66 10.257 2.574 -1.369 1.00 0.00 C ATOM 1010 CD2 PHE A 66 12.270 1.325 -1.705 1.00 0.00 C ATOM 1011 CE1 PHE A 66 10.853 3.241 -0.321 1.00 0.00 C ATOM 1012 CE2 PHE A 66 12.863 1.994 -0.652 1.00 0.00 C ATOM 1013 CZ PHE A 66 12.154 2.953 0.040 1.00 0.00 C ATOM 0 H PHE A 66 10.219 -0.685 -1.276 1.00 0.00 H new ATOM 0 HA PHE A 66 8.191 0.835 -2.616 1.00 0.00 H new ATOM 0 HB2 PHE A 66 10.978 0.097 -3.627 1.00 0.00 H new ATOM 0 HB3 PHE A 66 10.038 1.519 -4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 66 9.237 2.806 -1.638 1.00 0.00 H new ATOM 0 HD2 PHE A 66 12.832 0.575 -2.242 1.00 0.00 H new ATOM 0 HE1 PHE A 66 10.299 3.993 0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 66 13.881 1.766 -0.371 1.00 0.00 H new ATOM 0 HZ PHE A 66 12.616 3.478 0.863 1.00 0.00 H new ATOM 1023 N ASN A 67 8.658 -2.169 -3.700 1.00 0.00 N ATOM 1024 CA ASN A 67 8.231 -3.188 -4.696 1.00 0.00 C ATOM 1025 C ASN A 67 6.734 -3.533 -4.532 1.00 0.00 C ATOM 1026 O ASN A 67 6.189 -4.323 -5.315 1.00 0.00 O ATOM 1027 CB ASN A 67 9.094 -4.478 -4.554 1.00 0.00 C ATOM 1028 CG ASN A 67 10.522 -4.379 -5.112 1.00 0.00 C ATOM 1029 OD1 ASN A 67 11.055 -5.362 -5.624 1.00 0.00 O ATOM 1030 ND2 ASN A 67 11.166 -3.219 -4.998 1.00 0.00 N ATOM 0 H ASN A 67 9.103 -2.564 -2.872 1.00 0.00 H new ATOM 0 HA ASN A 67 8.378 -2.768 -5.691 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.152 -4.742 -3.498 1.00 0.00 H new ATOM 0 HB3 ASN A 67 8.580 -5.296 -5.059 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.123 -3.131 -5.339 1.00 0.00 H new ATOM 0 HD22 ASN A 67 10.702 -2.418 -4.569 1.00 0.00 H new ATOM 1037 N PHE A 68 6.101 -2.935 -3.493 1.00 0.00 N ATOM 1038 CA PHE A 68 4.707 -3.206 -3.113 1.00 0.00 C ATOM 1039 C PHE A 68 3.725 -3.081 -4.297 1.00 0.00 C ATOM 1040 O PHE A 68 2.875 -3.934 -4.441 1.00 0.00 O ATOM 1041 CB PHE A 68 4.257 -2.270 -1.946 1.00 0.00 C ATOM 1042 CG PHE A 68 3.830 -0.856 -2.371 1.00 0.00 C ATOM 1043 CD1 PHE A 68 4.765 0.067 -2.847 1.00 0.00 C ATOM 1044 CD2 PHE A 68 2.483 -0.477 -2.344 1.00 0.00 C ATOM 1045 CE1 PHE A 68 4.368 1.309 -3.287 1.00 0.00 C ATOM 1046 CE2 PHE A 68 2.094 0.770 -2.772 1.00 0.00 C ATOM 1047 CZ PHE A 68 3.031 1.659 -3.247 1.00 0.00 C ATOM 0 H PHE A 68 6.555 -2.245 -2.894 1.00 0.00 H new ATOM 0 HA PHE A 68 4.678 -4.243 -2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 68 3.425 -2.742 -1.423 1.00 0.00 H new ATOM 0 HB3 PHE A 68 5.076 -2.186 -1.232 1.00 0.00 H new ATOM 0 HD1 PHE A 68 5.812 -0.198 -2.870 1.00 0.00 H new ATOM 0 HD2 PHE A 68 1.740 -1.173 -1.983 1.00 0.00 H new ATOM 0 HE1 PHE A 68 5.099 2.009 -3.663 1.00 0.00 H new ATOM 0 HE2 PHE A 68 1.052 1.052 -2.735 1.00 0.00 H new ATOM 0 HZ PHE A 68 2.720 2.635 -3.590 1.00 0.00 H new ATOM 1057 N ALA A 69 3.869 -2.017 -5.129 1.00 0.00 N ATOM 1058 CA ALA A 69 2.910 -1.664 -6.204 1.00 0.00 C ATOM 1059 C ALA A 69 2.593 -2.825 -7.165 1.00 0.00 C ATOM 1060 O ALA A 69 1.480 -2.895 -7.697 1.00 0.00 O ATOM 1061 CB ALA A 69 3.426 -0.437 -6.978 1.00 0.00 C ATOM 0 H ALA A 69 4.661 -1.376 -5.071 1.00 0.00 H new ATOM 0 HA ALA A 69 1.965 -1.427 -5.715 1.00 0.00 H new ATOM 0 HB1 ALA A 69 2.719 -0.181 -7.767 1.00 0.00 H new ATOM 0 HB2 ALA A 69 3.530 0.407 -6.295 1.00 0.00 H new ATOM 0 HB3 ALA A 69 4.395 -0.667 -7.420 1.00 0.00 H new ATOM 1067 N SER A 70 3.566 -3.730 -7.362 1.00 0.00 N ATOM 1068 CA SER A 70 3.392 -4.921 -8.206 1.00 0.00 C ATOM 1069 C SER A 70 2.380 -5.889 -7.547 1.00 0.00 C ATOM 1070 O SER A 70 1.439 -6.362 -8.198 1.00 0.00 O ATOM 1071 CB SER A 70 4.766 -5.603 -8.415 1.00 0.00 C ATOM 1072 OG SER A 70 5.732 -4.668 -8.882 1.00 0.00 O ATOM 0 H SER A 70 4.492 -3.656 -6.941 1.00 0.00 H new ATOM 0 HA SER A 70 2.996 -4.633 -9.180 1.00 0.00 H new ATOM 0 HB2 SER A 70 5.104 -6.043 -7.477 1.00 0.00 H new ATOM 0 HB3 SER A 70 4.667 -6.418 -9.132 1.00 0.00 H new ATOM 0 HG SER A 70 6.592 -5.121 -9.005 1.00 0.00 H new ATOM 1078 N ASP A 71 2.581 -6.137 -6.238 1.00 0.00 N ATOM 1079 CA ASP A 71 1.744 -7.056 -5.444 1.00 0.00 C ATOM 1080 C ASP A 71 0.373 -6.443 -5.121 1.00 0.00 C ATOM 1081 O ASP A 71 -0.627 -7.115 -5.253 1.00 0.00 O ATOM 1082 CB ASP A 71 2.464 -7.465 -4.142 1.00 0.00 C ATOM 1083 CG ASP A 71 1.650 -8.465 -3.295 1.00 0.00 C ATOM 1084 OD1 ASP A 71 1.526 -9.636 -3.711 1.00 0.00 O ATOM 1085 OD2 ASP A 71 1.131 -8.088 -2.224 1.00 0.00 O ATOM 0 H ASP A 71 3.332 -5.704 -5.700 1.00 0.00 H new ATOM 0 HA ASP A 71 1.577 -7.946 -6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 71 3.429 -7.907 -4.390 1.00 0.00 H new ATOM 0 HB3 ASP A 71 2.665 -6.573 -3.548 1.00 0.00 H new ATOM 1090 N ALA A 72 0.364 -5.182 -4.649 1.00 0.00 N ATOM 1091 CA ALA A 72 -0.858 -4.385 -4.371 1.00 0.00 C ATOM 1092 C ALA A 72 -1.886 -4.459 -5.522 1.00 0.00 C ATOM 1093 O ALA A 72 -3.092 -4.542 -5.284 1.00 0.00 O ATOM 1094 CB ALA A 72 -0.471 -2.921 -4.091 1.00 0.00 C ATOM 0 H ALA A 72 1.223 -4.672 -4.444 1.00 0.00 H new ATOM 0 HA ALA A 72 -1.337 -4.814 -3.491 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -1.370 -2.339 -3.888 1.00 0.00 H new ATOM 0 HB2 ALA A 72 0.192 -2.879 -3.227 1.00 0.00 H new ATOM 0 HB3 ALA A 72 0.040 -2.507 -4.960 1.00 0.00 H new ATOM 1100 N THR A 73 -1.372 -4.440 -6.760 1.00 0.00 N ATOM 1101 CA THR A 73 -2.183 -4.611 -7.974 1.00 0.00 C ATOM 1102 C THR A 73 -2.624 -6.089 -8.144 1.00 0.00 C ATOM 1103 O THR A 73 -3.788 -6.365 -8.458 1.00 0.00 O ATOM 1104 CB THR A 73 -1.379 -4.129 -9.229 1.00 0.00 C ATOM 1105 OG1 THR A 73 -1.031 -2.747 -9.063 1.00 0.00 O ATOM 1106 CG2 THR A 73 -2.162 -4.291 -10.544 1.00 0.00 C ATOM 0 H THR A 73 -0.379 -4.305 -6.948 1.00 0.00 H new ATOM 0 HA THR A 73 -3.082 -4.003 -7.876 1.00 0.00 H new ATOM 0 HB THR A 73 -0.490 -4.756 -9.300 1.00 0.00 H new ATOM 0 HG1 THR A 73 -0.180 -2.679 -8.582 1.00 0.00 H new ATOM 0 HG21 THR A 73 -1.552 -3.940 -11.376 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.409 -5.342 -10.693 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.080 -3.706 -10.495 1.00 0.00 H new ATOM 1114 N ARG A 74 -1.671 -7.018 -7.918 1.00 0.00 N ATOM 1115 CA ARG A 74 -1.876 -8.479 -8.092 1.00 0.00 C ATOM 1116 C ARG A 74 -2.973 -9.039 -7.152 1.00 0.00 C ATOM 1117 O ARG A 74 -3.849 -9.793 -7.590 1.00 0.00 O ATOM 1118 CB ARG A 74 -0.531 -9.228 -7.874 1.00 0.00 C ATOM 1119 CG ARG A 74 -0.613 -10.769 -8.001 1.00 0.00 C ATOM 1120 CD ARG A 74 0.740 -11.456 -7.780 1.00 0.00 C ATOM 1121 NE ARG A 74 0.637 -12.928 -7.812 1.00 0.00 N ATOM 1122 CZ ARG A 74 1.632 -13.776 -7.487 1.00 0.00 C ATOM 1123 NH1 ARG A 74 2.825 -13.316 -7.112 1.00 0.00 N ATOM 1124 NH2 ARG A 74 1.428 -15.082 -7.542 1.00 0.00 N ATOM 0 H ARG A 74 -0.730 -6.778 -7.607 1.00 0.00 H new ATOM 0 HA ARG A 74 -2.224 -8.645 -9.112 1.00 0.00 H new ATOM 0 HB2 ARG A 74 0.196 -8.857 -8.597 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.150 -8.980 -6.883 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.332 -11.151 -7.276 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -0.990 -11.028 -8.991 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.441 -11.127 -8.547 1.00 0.00 H new ATOM 0 HD3 ARG A 74 1.150 -11.144 -6.819 1.00 0.00 H new ATOM 0 HE ARG A 74 -0.253 -13.333 -8.102 1.00 0.00 H new ATOM 0 HH11 ARG A 74 2.993 -12.311 -7.068 1.00 0.00 H new ATOM 0 HH12 ARG A 74 3.570 -13.969 -6.869 1.00 0.00 H new ATOM 0 HH21 ARG A 74 0.519 -15.445 -7.830 1.00 0.00 H new ATOM 0 HH22 ARG A 74 2.180 -15.726 -7.296 1.00 0.00 H new ATOM 1138 N VAL A 75 -2.914 -8.670 -5.868 1.00 0.00 N ATOM 1139 CA VAL A 75 -3.877 -9.118 -4.852 1.00 0.00 C ATOM 1140 C VAL A 75 -5.239 -8.430 -5.049 1.00 0.00 C ATOM 1141 O VAL A 75 -6.281 -9.035 -4.793 1.00 0.00 O ATOM 1142 CB VAL A 75 -3.325 -8.922 -3.388 1.00 0.00 C ATOM 1143 CG1 VAL A 75 -3.061 -7.437 -3.055 1.00 0.00 C ATOM 1144 CG2 VAL A 75 -4.263 -9.583 -2.339 1.00 0.00 C ATOM 0 H VAL A 75 -2.193 -8.049 -5.501 1.00 0.00 H new ATOM 0 HA VAL A 75 -4.024 -10.190 -4.986 1.00 0.00 H new ATOM 0 HB VAL A 75 -2.361 -9.429 -3.341 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -2.682 -7.354 -2.036 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -2.324 -7.034 -3.750 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -3.990 -6.874 -3.143 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -3.856 -9.431 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -5.253 -9.131 -2.400 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -4.339 -10.651 -2.541 1.00 0.00 H new ATOM 1154 N ALA A 76 -5.223 -7.177 -5.549 1.00 0.00 N ATOM 1155 CA ALA A 76 -6.449 -6.404 -5.816 1.00 0.00 C ATOM 1156 C ALA A 76 -7.254 -7.044 -6.962 1.00 0.00 C ATOM 1157 O ALA A 76 -8.479 -7.171 -6.879 1.00 0.00 O ATOM 1158 CB ALA A 76 -6.089 -4.951 -6.149 1.00 0.00 C ATOM 0 H ALA A 76 -4.364 -6.677 -5.777 1.00 0.00 H new ATOM 0 HA ALA A 76 -7.072 -6.412 -4.922 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -7.000 -4.386 -6.345 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -5.560 -4.505 -5.307 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.451 -4.928 -7.032 1.00 0.00 H new ATOM 1164 N GLN A 77 -6.532 -7.475 -8.016 1.00 0.00 N ATOM 1165 CA GLN A 77 -7.144 -8.120 -9.198 1.00 0.00 C ATOM 1166 C GLN A 77 -7.519 -9.579 -8.874 1.00 0.00 C ATOM 1167 O GLN A 77 -8.443 -10.132 -9.481 1.00 0.00 O ATOM 1168 CB GLN A 77 -6.242 -8.005 -10.457 1.00 0.00 C ATOM 1169 CG GLN A 77 -4.938 -8.817 -10.415 1.00 0.00 C ATOM 1170 CD GLN A 77 -3.986 -8.481 -11.567 1.00 0.00 C ATOM 1171 OE1 GLN A 77 -4.022 -9.095 -12.633 1.00 0.00 O ATOM 1172 NE2 GLN A 77 -3.145 -7.485 -11.364 1.00 0.00 N ATOM 0 H GLN A 77 -5.517 -7.388 -8.073 1.00 0.00 H new ATOM 0 HA GLN A 77 -8.063 -7.586 -9.441 1.00 0.00 H new ATOM 0 HB2 GLN A 77 -6.819 -8.322 -11.326 1.00 0.00 H new ATOM 0 HB3 GLN A 77 -5.991 -6.955 -10.607 1.00 0.00 H new ATOM 0 HG2 GLN A 77 -4.432 -8.633 -9.467 1.00 0.00 H new ATOM 0 HG3 GLN A 77 -5.177 -9.880 -10.447 1.00 0.00 H new ATOM 0 HE21 GLN A 77 -3.140 -6.996 -10.469 1.00 0.00 H new ATOM 0 HE22 GLN A 77 -2.500 -7.204 -12.102 1.00 0.00 H new ATOM 1181 N LYS A 78 -6.805 -10.176 -7.895 1.00 0.00 N ATOM 1182 CA LYS A 78 -7.154 -11.479 -7.295 1.00 0.00 C ATOM 1183 C LYS A 78 -8.465 -11.369 -6.470 1.00 0.00 C ATOM 1184 O LYS A 78 -9.194 -12.351 -6.316 1.00 0.00 O ATOM 1185 CB LYS A 78 -5.991 -11.951 -6.385 1.00 0.00 C ATOM 1186 CG LYS A 78 -6.048 -13.434 -5.948 1.00 0.00 C ATOM 1187 CD LYS A 78 -5.064 -13.762 -4.798 1.00 0.00 C ATOM 1188 CE LYS A 78 -3.617 -13.310 -5.073 1.00 0.00 C ATOM 1189 NZ LYS A 78 -2.700 -13.677 -3.966 1.00 0.00 N ATOM 0 H LYS A 78 -5.962 -9.762 -7.496 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.313 -12.205 -8.092 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.050 -11.780 -6.909 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -5.976 -11.327 -5.491 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -7.063 -13.675 -5.631 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.822 -14.069 -6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -5.416 -13.286 -3.883 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -5.072 -14.837 -4.621 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -3.266 -13.763 -6.000 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -3.596 -12.230 -5.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -1.737 -13.355 -4.191 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -3.020 -13.224 -3.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -2.699 -14.710 -3.844 1.00 0.00 H new ATOM 1203 N HIS A 79 -8.745 -10.156 -5.938 1.00 0.00 N ATOM 1204 CA HIS A 79 -10.030 -9.829 -5.262 1.00 0.00 C ATOM 1205 C HIS A 79 -11.120 -9.428 -6.283 1.00 0.00 C ATOM 1206 O HIS A 79 -12.218 -9.026 -5.883 1.00 0.00 O ATOM 1207 CB HIS A 79 -9.839 -8.697 -4.199 1.00 0.00 C ATOM 1208 CG HIS A 79 -9.282 -9.161 -2.871 1.00 0.00 C ATOM 1209 ND1 HIS A 79 -10.042 -9.835 -1.939 1.00 0.00 N ATOM 1210 CD2 HIS A 79 -8.046 -9.058 -2.320 1.00 0.00 C ATOM 1211 CE1 HIS A 79 -9.305 -10.120 -0.887 1.00 0.00 C ATOM 1212 NE2 HIS A 79 -8.089 -9.665 -1.092 1.00 0.00 N ATOM 0 H HIS A 79 -8.089 -9.375 -5.963 1.00 0.00 H new ATOM 0 HA HIS A 79 -10.362 -10.731 -4.748 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.173 -7.939 -4.612 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -10.801 -8.215 -4.025 1.00 0.00 H new ATOM 0 HD1 HIS A 79 -11.027 -10.076 -2.048 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -7.185 -8.584 -2.768 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -9.643 -10.641 -0.003 1.00 0.00 H new ATOM 1221 N GLY A 80 -10.818 -9.561 -7.590 1.00 0.00 N ATOM 1222 CA GLY A 80 -11.795 -9.330 -8.654 1.00 0.00 C ATOM 1223 C GLY A 80 -11.827 -7.903 -9.191 1.00 0.00 C ATOM 1224 O GLY A 80 -12.879 -7.280 -9.206 1.00 0.00 O ATOM 0 H GLY A 80 -9.894 -9.830 -7.928 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -11.581 -10.009 -9.479 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.786 -9.585 -8.280 1.00 0.00 H new ATOM 1228 N LEU A 81 -10.677 -7.366 -9.627 1.00 0.00 N ATOM 1229 CA LEU A 81 -10.670 -6.130 -10.450 1.00 0.00 C ATOM 1230 C LEU A 81 -10.873 -6.493 -11.921 1.00 0.00 C ATOM 1231 O LEU A 81 -10.428 -7.560 -12.358 1.00 0.00 O ATOM 1232 CB LEU A 81 -9.352 -5.311 -10.340 1.00 0.00 C ATOM 1233 CG LEU A 81 -9.020 -4.654 -8.969 1.00 0.00 C ATOM 1234 CD1 LEU A 81 -7.818 -3.688 -9.093 1.00 0.00 C ATOM 1235 CD2 LEU A 81 -10.240 -3.943 -8.366 1.00 0.00 C ATOM 0 H LEU A 81 -9.753 -7.753 -9.433 1.00 0.00 H new ATOM 0 HA LEU A 81 -11.480 -5.510 -10.065 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -8.525 -5.970 -10.605 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -9.384 -4.522 -11.091 1.00 0.00 H new ATOM 0 HG LEU A 81 -8.742 -5.455 -8.284 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -7.607 -3.243 -8.121 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -6.943 -4.239 -9.437 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -8.056 -2.901 -9.809 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -9.966 -3.498 -7.410 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -10.579 -3.161 -9.046 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -11.043 -4.664 -8.214 1.00 0.00 H new ATOM 1466 N TYR A 95 3.357 5.458 -9.631 1.00 0.00 N ATOM 1467 CA TYR A 95 4.344 4.762 -8.818 1.00 0.00 C ATOM 1468 C TYR A 95 5.574 5.637 -8.584 1.00 0.00 C ATOM 1469 O TYR A 95 6.094 5.636 -7.491 1.00 0.00 O ATOM 1470 CB TYR A 95 4.742 3.409 -9.477 1.00 0.00 C ATOM 1471 CG TYR A 95 5.946 2.718 -8.798 1.00 0.00 C ATOM 1472 CD1 TYR A 95 5.878 2.303 -7.464 1.00 0.00 C ATOM 1473 CD2 TYR A 95 7.161 2.539 -9.469 1.00 0.00 C ATOM 1474 CE1 TYR A 95 6.967 1.734 -6.841 1.00 0.00 C ATOM 1475 CE2 TYR A 95 8.253 1.977 -8.845 1.00 0.00 C ATOM 1476 CZ TYR A 95 8.153 1.575 -7.536 1.00 0.00 C ATOM 1477 OH TYR A 95 9.243 1.015 -6.910 1.00 0.00 O ATOM 0 HA TYR A 95 3.895 4.549 -7.848 1.00 0.00 H new ATOM 0 HB2 TYR A 95 3.885 2.736 -9.450 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.978 3.582 -10.527 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.957 2.431 -6.914 1.00 0.00 H new ATOM 0 HD2 TYR A 95 7.244 2.849 -10.500 1.00 0.00 H new ATOM 0 HE1 TYR A 95 6.895 1.413 -5.812 1.00 0.00 H new ATOM 0 HE2 TYR A 95 9.182 1.853 -9.382 1.00 0.00 H new ATOM 0 HH TYR A 95 8.943 0.489 -6.139 1.00 0.00 H new ATOM 1487 N ASP A 96 6.052 6.322 -9.634 1.00 0.00 N ATOM 1488 CA ASP A 96 7.233 7.223 -9.556 1.00 0.00 C ATOM 1489 C ASP A 96 7.111 8.287 -8.434 1.00 0.00 C ATOM 1490 O ASP A 96 8.086 8.554 -7.718 1.00 0.00 O ATOM 1491 CB ASP A 96 7.456 7.909 -10.927 1.00 0.00 C ATOM 1492 CG ASP A 96 7.627 6.897 -12.073 1.00 0.00 C ATOM 1493 OD1 ASP A 96 6.606 6.462 -12.651 1.00 0.00 O ATOM 1494 OD2 ASP A 96 8.775 6.512 -12.380 1.00 0.00 O ATOM 0 H ASP A 96 5.637 6.273 -10.565 1.00 0.00 H new ATOM 0 HA ASP A 96 8.094 6.605 -9.303 1.00 0.00 H new ATOM 0 HB2 ASP A 96 6.610 8.560 -11.145 1.00 0.00 H new ATOM 0 HB3 ASP A 96 8.341 8.543 -10.872 1.00 0.00 H new ATOM 1499 N ALA A 97 5.910 8.875 -8.287 1.00 0.00 N ATOM 1500 CA ALA A 97 5.628 9.892 -7.247 1.00 0.00 C ATOM 1501 C ALA A 97 5.509 9.223 -5.865 1.00 0.00 C ATOM 1502 O ALA A 97 6.126 9.662 -4.889 1.00 0.00 O ATOM 1503 CB ALA A 97 4.344 10.666 -7.603 1.00 0.00 C ATOM 0 H ALA A 97 5.108 8.663 -8.881 1.00 0.00 H new ATOM 0 HA ALA A 97 6.454 10.602 -7.206 1.00 0.00 H new ATOM 0 HB1 ALA A 97 4.144 11.412 -6.834 1.00 0.00 H new ATOM 0 HB2 ALA A 97 4.473 11.163 -8.565 1.00 0.00 H new ATOM 0 HB3 ALA A 97 3.506 9.972 -7.663 1.00 0.00 H new ATOM 1509 N MET A 98 4.712 8.140 -5.831 1.00 0.00 N ATOM 1510 CA MET A 98 4.511 7.272 -4.643 1.00 0.00 C ATOM 1511 C MET A 98 5.863 6.801 -4.041 1.00 0.00 C ATOM 1512 O MET A 98 6.061 6.811 -2.831 1.00 0.00 O ATOM 1513 CB MET A 98 3.676 6.049 -5.100 1.00 0.00 C ATOM 1514 CG MET A 98 3.142 5.142 -3.993 1.00 0.00 C ATOM 1515 SD MET A 98 1.817 5.911 -3.049 1.00 0.00 S ATOM 1516 CE MET A 98 1.064 4.508 -2.221 1.00 0.00 C ATOM 0 H MET A 98 4.176 7.832 -6.642 1.00 0.00 H new ATOM 0 HA MET A 98 3.996 7.832 -3.863 1.00 0.00 H new ATOM 0 HB2 MET A 98 2.830 6.411 -5.683 1.00 0.00 H new ATOM 0 HB3 MET A 98 4.290 5.447 -5.769 1.00 0.00 H new ATOM 0 HG2 MET A 98 2.778 4.213 -4.433 1.00 0.00 H new ATOM 0 HG3 MET A 98 3.957 4.878 -3.319 1.00 0.00 H new ATOM 0 HE1 MET A 98 0.098 4.803 -1.812 1.00 0.00 H new ATOM 0 HE2 MET A 98 0.924 3.697 -2.935 1.00 0.00 H new ATOM 0 HE3 MET A 98 1.713 4.171 -1.412 1.00 0.00 H new ATOM 1526 N PHE A 99 6.772 6.435 -4.956 1.00 0.00 N ATOM 1527 CA PHE A 99 8.117 5.910 -4.659 1.00 0.00 C ATOM 1528 C PHE A 99 8.927 6.919 -3.838 1.00 0.00 C ATOM 1529 O PHE A 99 9.445 6.583 -2.766 1.00 0.00 O ATOM 1530 CB PHE A 99 8.850 5.564 -5.990 1.00 0.00 C ATOM 1531 CG PHE A 99 10.312 5.127 -5.831 1.00 0.00 C ATOM 1532 CD1 PHE A 99 10.633 3.843 -5.394 1.00 0.00 C ATOM 1533 CD2 PHE A 99 11.366 6.007 -6.111 1.00 0.00 C ATOM 1534 CE1 PHE A 99 11.953 3.454 -5.236 1.00 0.00 C ATOM 1535 CE2 PHE A 99 12.681 5.617 -5.949 1.00 0.00 C ATOM 1536 CZ PHE A 99 12.975 4.336 -5.515 1.00 0.00 C ATOM 0 H PHE A 99 6.587 6.498 -5.957 1.00 0.00 H new ATOM 0 HA PHE A 99 8.018 5.002 -4.064 1.00 0.00 H new ATOM 0 HB2 PHE A 99 8.301 4.768 -6.493 1.00 0.00 H new ATOM 0 HB3 PHE A 99 8.816 6.436 -6.643 1.00 0.00 H new ATOM 0 HD1 PHE A 99 9.841 3.142 -5.176 1.00 0.00 H new ATOM 0 HD2 PHE A 99 11.147 7.006 -6.459 1.00 0.00 H new ATOM 0 HE1 PHE A 99 12.182 2.456 -4.893 1.00 0.00 H new ATOM 0 HE2 PHE A 99 13.480 6.312 -6.161 1.00 0.00 H new ATOM 0 HZ PHE A 99 14.003 4.028 -5.395 1.00 0.00 H new ATOM 1546 N GLU A 100 9.010 8.162 -4.355 1.00 0.00 N ATOM 1547 CA GLU A 100 9.805 9.231 -3.733 1.00 0.00 C ATOM 1548 C GLU A 100 9.206 9.694 -2.399 1.00 0.00 C ATOM 1549 O GLU A 100 9.934 10.178 -1.522 1.00 0.00 O ATOM 1550 CB GLU A 100 10.013 10.420 -4.695 1.00 0.00 C ATOM 1551 CG GLU A 100 10.691 10.041 -6.034 1.00 0.00 C ATOM 1552 CD GLU A 100 11.359 11.235 -6.732 1.00 0.00 C ATOM 1553 OE1 GLU A 100 10.662 12.001 -7.432 1.00 0.00 O ATOM 1554 OE2 GLU A 100 12.588 11.424 -6.575 1.00 0.00 O ATOM 0 H GLU A 100 8.530 8.448 -5.209 1.00 0.00 H new ATOM 0 HA GLU A 100 10.785 8.806 -3.516 1.00 0.00 H new ATOM 0 HB2 GLU A 100 9.046 10.875 -4.907 1.00 0.00 H new ATOM 0 HB3 GLU A 100 10.619 11.176 -4.195 1.00 0.00 H new ATOM 0 HG2 GLU A 100 11.440 9.271 -5.850 1.00 0.00 H new ATOM 0 HG3 GLU A 100 9.946 9.608 -6.702 1.00 0.00 H new ATOM 1561 N ASP A 101 7.883 9.551 -2.260 1.00 0.00 N ATOM 1562 CA ASP A 101 7.187 9.885 -1.010 1.00 0.00 C ATOM 1563 C ASP A 101 7.547 8.867 0.089 1.00 0.00 C ATOM 1564 O ASP A 101 8.002 9.245 1.172 1.00 0.00 O ATOM 1565 CB ASP A 101 5.656 9.922 -1.226 1.00 0.00 C ATOM 1566 CG ASP A 101 4.886 10.243 0.069 1.00 0.00 C ATOM 1567 OD1 ASP A 101 4.817 11.431 0.457 1.00 0.00 O ATOM 1568 OD2 ASP A 101 4.368 9.314 0.714 1.00 0.00 O ATOM 0 H ASP A 101 7.271 9.205 -2.999 1.00 0.00 H new ATOM 0 HA ASP A 101 7.511 10.876 -0.692 1.00 0.00 H new ATOM 0 HB2 ASP A 101 5.417 10.670 -1.982 1.00 0.00 H new ATOM 0 HB3 ASP A 101 5.323 8.959 -1.614 1.00 0.00 H new ATOM 1573 N ILE A 102 7.313 7.577 -0.215 1.00 0.00 N ATOM 1574 CA ILE A 102 7.586 6.454 0.707 1.00 0.00 C ATOM 1575 C ILE A 102 9.083 6.385 1.101 1.00 0.00 C ATOM 1576 O ILE A 102 9.389 6.099 2.251 1.00 0.00 O ATOM 1577 CB ILE A 102 7.101 5.071 0.098 1.00 0.00 C ATOM 1578 CG1 ILE A 102 5.567 5.119 -0.201 1.00 0.00 C ATOM 1579 CG2 ILE A 102 7.433 3.872 1.030 1.00 0.00 C ATOM 1580 CD1 ILE A 102 4.976 3.841 -0.783 1.00 0.00 C ATOM 0 H ILE A 102 6.927 7.281 -1.112 1.00 0.00 H new ATOM 0 HA ILE A 102 7.013 6.642 1.615 1.00 0.00 H new ATOM 0 HB ILE A 102 7.645 4.917 -0.834 1.00 0.00 H new ATOM 0 HG12 ILE A 102 5.041 5.355 0.724 1.00 0.00 H new ATOM 0 HG13 ILE A 102 5.374 5.937 -0.895 1.00 0.00 H new ATOM 0 HG21 ILE A 102 7.082 2.947 0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 102 8.511 3.816 1.181 1.00 0.00 H new ATOM 0 HG23 ILE A 102 6.939 4.011 1.991 1.00 0.00 H new ATOM 0 HD11 ILE A 102 3.908 3.979 -0.954 1.00 0.00 H new ATOM 0 HD12 ILE A 102 5.468 3.610 -1.728 1.00 0.00 H new ATOM 0 HD13 ILE A 102 5.129 3.018 -0.084 1.00 0.00 H new ATOM 1592 N ARG A 103 10.002 6.690 0.155 1.00 0.00 N ATOM 1593 CA ARG A 103 11.465 6.641 0.425 1.00 0.00 C ATOM 1594 C ARG A 103 11.875 7.755 1.410 1.00 0.00 C ATOM 1595 O ARG A 103 12.806 7.581 2.213 1.00 0.00 O ATOM 1596 CB ARG A 103 12.293 6.659 -0.902 1.00 0.00 C ATOM 1597 CG ARG A 103 12.419 8.006 -1.655 1.00 0.00 C ATOM 1598 CD ARG A 103 13.624 8.864 -1.222 1.00 0.00 C ATOM 1599 NE ARG A 103 13.722 10.105 -2.014 1.00 0.00 N ATOM 1600 CZ ARG A 103 14.863 10.694 -2.413 1.00 0.00 C ATOM 1601 NH1 ARG A 103 16.046 10.172 -2.111 1.00 0.00 N ATOM 1602 NH2 ARG A 103 14.806 11.810 -3.130 1.00 0.00 N ATOM 0 H ARG A 103 9.763 6.971 -0.796 1.00 0.00 H new ATOM 0 HA ARG A 103 11.697 5.692 0.909 1.00 0.00 H new ATOM 0 HB2 ARG A 103 13.299 6.307 -0.674 1.00 0.00 H new ATOM 0 HB3 ARG A 103 11.849 5.934 -1.584 1.00 0.00 H new ATOM 0 HG2 ARG A 103 12.496 7.806 -2.724 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.505 8.581 -1.503 1.00 0.00 H new ATOM 0 HD2 ARG A 103 13.532 9.113 -0.165 1.00 0.00 H new ATOM 0 HD3 ARG A 103 14.542 8.287 -1.335 1.00 0.00 H new ATOM 0 HE ARG A 103 12.847 10.556 -2.282 1.00 0.00 H new ATOM 0 HH11 ARG A 103 16.100 9.310 -1.568 1.00 0.00 H new ATOM 0 HH12 ARG A 103 16.901 10.633 -2.422 1.00 0.00 H new ATOM 0 HH21 ARG A 103 13.902 12.214 -3.374 1.00 0.00 H new ATOM 0 HH22 ARG A 103 15.667 12.264 -3.437 1.00 0.00 H new ATOM 1616 N ALA A 104 11.147 8.888 1.349 1.00 0.00 N ATOM 1617 CA ALA A 104 11.353 10.029 2.252 1.00 0.00 C ATOM 1618 C ALA A 104 10.797 9.702 3.654 1.00 0.00 C ATOM 1619 O ALA A 104 11.382 10.089 4.670 1.00 0.00 O ATOM 1620 CB ALA A 104 10.686 11.290 1.676 1.00 0.00 C ATOM 0 H ALA A 104 10.400 9.034 0.670 1.00 0.00 H new ATOM 0 HA ALA A 104 12.422 10.222 2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 104 10.846 12.128 2.354 1.00 0.00 H new ATOM 0 HB2 ALA A 104 11.123 11.521 0.704 1.00 0.00 H new ATOM 0 HB3 ALA A 104 9.616 11.115 1.561 1.00 0.00 H new ATOM 1626 N LYS A 105 9.626 9.034 3.681 1.00 0.00 N ATOM 1627 CA LYS A 105 8.990 8.516 4.911 1.00 0.00 C ATOM 1628 C LYS A 105 9.859 7.456 5.640 1.00 0.00 C ATOM 1629 O LYS A 105 9.896 7.422 6.873 1.00 0.00 O ATOM 1630 CB LYS A 105 7.592 7.933 4.544 1.00 0.00 C ATOM 1631 CG LYS A 105 6.622 7.655 5.727 1.00 0.00 C ATOM 1632 CD LYS A 105 5.841 8.897 6.228 1.00 0.00 C ATOM 1633 CE LYS A 105 6.672 9.865 7.083 1.00 0.00 C ATOM 1634 NZ LYS A 105 5.897 11.069 7.456 1.00 0.00 N ATOM 0 H LYS A 105 9.087 8.836 2.838 1.00 0.00 H new ATOM 0 HA LYS A 105 8.881 9.344 5.612 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.103 8.625 3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.744 7.000 4.001 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.907 6.892 5.421 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.193 7.242 6.558 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.449 9.437 5.366 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.983 8.561 6.811 1.00 0.00 H new ATOM 0 HE2 LYS A 105 7.010 9.355 7.986 1.00 0.00 H new ATOM 0 HE3 LYS A 105 7.564 10.163 6.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.490 11.699 8.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.596 11.569 6.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.059 10.787 8.003 1.00 0.00 H new ATOM 1648 N LEU A 106 10.526 6.583 4.856 1.00 0.00 N ATOM 1649 CA LEU A 106 11.531 5.617 5.381 1.00 0.00 C ATOM 1650 C LEU A 106 12.732 6.357 5.993 1.00 0.00 C ATOM 1651 O LEU A 106 13.304 5.915 6.995 1.00 0.00 O ATOM 1652 CB LEU A 106 12.021 4.613 4.272 1.00 0.00 C ATOM 1653 CG LEU A 106 11.291 3.233 4.192 1.00 0.00 C ATOM 1654 CD1 LEU A 106 11.371 2.477 5.534 1.00 0.00 C ATOM 1655 CD2 LEU A 106 9.841 3.385 3.719 1.00 0.00 C ATOM 0 H LEU A 106 10.389 6.523 3.847 1.00 0.00 H new ATOM 0 HA LEU A 106 11.037 5.036 6.160 1.00 0.00 H new ATOM 0 HB2 LEU A 106 11.924 5.104 3.304 1.00 0.00 H new ATOM 0 HB3 LEU A 106 13.083 4.426 4.430 1.00 0.00 H new ATOM 0 HG LEU A 106 11.812 2.634 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 106 10.854 1.522 5.445 1.00 0.00 H new ATOM 0 HD12 LEU A 106 12.416 2.302 5.791 1.00 0.00 H new ATOM 0 HD13 LEU A 106 10.900 3.073 6.316 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.367 2.404 3.676 1.00 0.00 H new ATOM 0 HD22 LEU A 106 9.296 4.021 4.416 1.00 0.00 H new ATOM 0 HD23 LEU A 106 9.827 3.838 2.728 1.00 0.00 H new ATOM 1667 N HIS A 107 13.128 7.460 5.336 1.00 0.00 N ATOM 1668 CA HIS A 107 14.181 8.364 5.834 1.00 0.00 C ATOM 1669 C HIS A 107 13.695 9.073 7.127 1.00 0.00 C ATOM 1670 O HIS A 107 14.510 9.433 7.986 1.00 0.00 O ATOM 1671 CB HIS A 107 14.530 9.376 4.700 1.00 0.00 C ATOM 1672 CG HIS A 107 15.795 10.201 4.861 1.00 0.00 C ATOM 1673 ND1 HIS A 107 16.384 10.854 3.797 1.00 0.00 N ATOM 1674 CD2 HIS A 107 16.565 10.503 5.938 1.00 0.00 C ATOM 1675 CE1 HIS A 107 17.446 11.513 4.216 1.00 0.00 C ATOM 1676 NE2 HIS A 107 17.576 11.318 5.509 1.00 0.00 N ATOM 0 H HIS A 107 12.728 7.751 4.444 1.00 0.00 H new ATOM 0 HA HIS A 107 15.083 7.811 6.095 1.00 0.00 H new ATOM 0 HB2 HIS A 107 14.608 8.820 3.765 1.00 0.00 H new ATOM 0 HB3 HIS A 107 13.691 10.064 4.593 1.00 0.00 H new ATOM 0 HD2 HIS A 107 16.407 10.161 6.950 1.00 0.00 H new ATOM 0 HE1 HIS A 107 18.100 12.113 3.600 1.00 0.00 H new ATOM 0 HE2 HIS A 107 18.311 11.711 6.097 1.00 0.00 H new ATOM 1685 N ALA A 108 12.348 9.269 7.225 1.00 0.00 N ATOM 1686 CA ALA A 108 11.638 9.876 8.383 1.00 0.00 C ATOM 1687 C ALA A 108 11.837 11.403 8.449 1.00 0.00 C ATOM 1688 O ALA A 108 11.279 12.070 9.333 1.00 0.00 O ATOM 1689 CB ALA A 108 11.989 9.184 9.715 1.00 0.00 C ATOM 0 H ALA A 108 11.710 9.000 6.476 1.00 0.00 H new ATOM 0 HA ALA A 108 10.574 9.705 8.219 1.00 0.00 H new ATOM 0 HB1 ALA A 108 11.445 9.664 10.529 1.00 0.00 H new ATOM 0 HB2 ALA A 108 11.710 8.132 9.663 1.00 0.00 H new ATOM 0 HB3 ALA A 108 13.061 9.266 9.896 1.00 0.00 H new ATOM 1727 N GLY A 111 15.712 15.594 5.296 1.00 0.00 N ATOM 1728 CA GLY A 111 17.133 15.834 5.561 1.00 0.00 C ATOM 1729 C GLY A 111 17.439 17.323 5.619 1.00 0.00 C ATOM 1730 O GLY A 111 18.262 17.770 6.423 1.00 0.00 O ATOM 0 HA2 GLY A 111 17.414 15.366 6.504 1.00 0.00 H new ATOM 0 HA3 GLY A 111 17.735 15.367 4.782 1.00 0.00 H new ATOM 1734 N GLU A 112 16.748 18.081 4.755 1.00 0.00 N ATOM 1735 CA GLU A 112 16.824 19.545 4.694 1.00 0.00 C ATOM 1736 C GLU A 112 15.915 20.159 5.793 1.00 0.00 C ATOM 1737 O GLU A 112 14.743 19.758 5.898 1.00 0.00 O ATOM 1738 CB GLU A 112 16.357 20.005 3.291 1.00 0.00 C ATOM 1739 CG GLU A 112 17.138 19.358 2.118 1.00 0.00 C ATOM 1740 CD GLU A 112 16.463 19.545 0.751 1.00 0.00 C ATOM 1741 OE1 GLU A 112 16.356 20.695 0.280 1.00 0.00 O ATOM 1742 OE2 GLU A 112 16.032 18.544 0.136 1.00 0.00 O ATOM 0 H GLU A 112 16.109 17.684 4.066 1.00 0.00 H new ATOM 0 HA GLU A 112 17.848 19.878 4.865 1.00 0.00 H new ATOM 0 HB2 GLU A 112 15.298 19.774 3.179 1.00 0.00 H new ATOM 0 HB3 GLU A 112 16.455 21.089 3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 112 18.140 19.785 2.080 1.00 0.00 H new ATOM 0 HG3 GLU A 112 17.253 18.292 2.314 1.00 0.00 H new ATOM 1749 N PRO A 113 16.434 21.108 6.642 1.00 0.00 N ATOM 1750 CA PRO A 113 15.615 21.804 7.663 1.00 0.00 C ATOM 1751 C PRO A 113 14.580 22.735 6.991 1.00 0.00 C ATOM 1752 O PRO A 113 14.934 23.795 6.457 1.00 0.00 O ATOM 1753 CB PRO A 113 16.661 22.577 8.512 1.00 0.00 C ATOM 1754 CG PRO A 113 17.837 22.764 7.598 1.00 0.00 C ATOM 1755 CD PRO A 113 17.853 21.557 6.676 1.00 0.00 C ATOM 0 HA PRO A 113 15.020 21.130 8.280 1.00 0.00 H new ATOM 0 HB2 PRO A 113 16.266 23.535 8.849 1.00 0.00 H new ATOM 0 HB3 PRO A 113 16.939 22.015 9.404 1.00 0.00 H new ATOM 0 HG2 PRO A 113 17.744 23.688 7.028 1.00 0.00 H new ATOM 0 HG3 PRO A 113 18.765 22.832 8.166 1.00 0.00 H new ATOM 0 HD2 PRO A 113 18.212 21.820 5.681 1.00 0.00 H new ATOM 0 HD3 PRO A 113 18.510 20.774 7.055 1.00 0.00 H new ATOM 1763 N VAL A 114 13.306 22.294 7.000 1.00 0.00 N ATOM 1764 CA VAL A 114 12.218 22.915 6.225 1.00 0.00 C ATOM 1765 C VAL A 114 11.968 24.384 6.652 1.00 0.00 C ATOM 1766 O VAL A 114 12.062 24.724 7.837 1.00 0.00 O ATOM 1767 CB VAL A 114 10.898 22.052 6.317 1.00 0.00 C ATOM 1768 CG1 VAL A 114 10.304 22.032 7.748 1.00 0.00 C ATOM 1769 CG2 VAL A 114 9.852 22.510 5.268 1.00 0.00 C ATOM 0 H VAL A 114 13.003 21.490 7.550 1.00 0.00 H new ATOM 0 HA VAL A 114 12.531 22.939 5.181 1.00 0.00 H new ATOM 0 HB VAL A 114 11.174 21.024 6.083 1.00 0.00 H new ATOM 0 HG11 VAL A 114 9.398 21.426 7.758 1.00 0.00 H new ATOM 0 HG12 VAL A 114 11.033 21.607 8.438 1.00 0.00 H new ATOM 0 HG13 VAL A 114 10.063 23.049 8.056 1.00 0.00 H new ATOM 0 HG21 VAL A 114 8.955 21.897 5.357 1.00 0.00 H new ATOM 0 HG22 VAL A 114 9.596 23.555 5.442 1.00 0.00 H new ATOM 0 HG23 VAL A 114 10.269 22.400 4.267 1.00 0.00 H new ATOM 1779 N ASP A 115 11.629 25.230 5.662 1.00 0.00 N ATOM 1780 CA ASP A 115 11.569 26.696 5.806 1.00 0.00 C ATOM 1781 C ASP A 115 10.416 27.134 6.715 1.00 0.00 C ATOM 1782 O ASP A 115 10.528 28.133 7.433 1.00 0.00 O ATOM 1783 CB ASP A 115 11.452 27.368 4.412 1.00 0.00 C ATOM 1784 CG ASP A 115 10.131 27.042 3.669 1.00 0.00 C ATOM 1785 OD1 ASP A 115 9.841 25.845 3.438 1.00 0.00 O ATOM 1786 OD2 ASP A 115 9.380 27.974 3.316 1.00 0.00 O ATOM 0 H ASP A 115 11.385 24.909 4.725 1.00 0.00 H new ATOM 0 HA ASP A 115 12.496 27.020 6.280 1.00 0.00 H new ATOM 0 HB2 ASP A 115 11.533 28.448 4.532 1.00 0.00 H new ATOM 0 HB3 ASP A 115 12.293 27.051 3.795 1.00 0.00 H new ATOM 1791 N LEU A 116 9.329 26.343 6.717 1.00 0.00 N ATOM 1792 CA LEU A 116 8.141 26.622 7.547 1.00 0.00 C ATOM 1793 C LEU A 116 8.430 26.452 9.053 1.00 0.00 C ATOM 1794 O LEU A 116 7.562 26.738 9.885 1.00 0.00 O ATOM 1795 CB LEU A 116 6.936 25.741 7.084 1.00 0.00 C ATOM 1796 CG LEU A 116 7.111 24.176 7.153 1.00 0.00 C ATOM 1797 CD1 LEU A 116 6.826 23.592 8.557 1.00 0.00 C ATOM 1798 CD2 LEU A 116 6.240 23.464 6.092 1.00 0.00 C ATOM 0 H LEU A 116 9.248 25.499 6.149 1.00 0.00 H new ATOM 0 HA LEU A 116 7.873 27.669 7.405 1.00 0.00 H new ATOM 0 HB2 LEU A 116 6.070 26.010 7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 116 6.700 26.008 6.054 1.00 0.00 H new ATOM 0 HG LEU A 116 8.162 23.986 6.936 1.00 0.00 H new ATOM 0 HD11 LEU A 116 6.964 22.511 8.536 1.00 0.00 H new ATOM 0 HD12 LEU A 116 7.513 24.032 9.280 1.00 0.00 H new ATOM 0 HD13 LEU A 116 5.800 23.821 8.845 1.00 0.00 H new ATOM 0 HD21 LEU A 116 6.384 22.386 6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 116 5.190 23.702 6.263 1.00 0.00 H new ATOM 0 HD23 LEU A 116 6.531 23.801 5.097 1.00 0.00 H new ATOM 1810 N GLU A 117 9.638 25.964 9.394 1.00 0.00 N ATOM 1811 CA GLU A 117 10.075 25.769 10.783 1.00 0.00 C ATOM 1812 C GLU A 117 11.352 26.593 11.081 1.00 0.00 C ATOM 1813 O GLU A 117 11.448 27.254 12.122 1.00 0.00 O ATOM 1814 CB GLU A 117 10.321 24.254 11.027 1.00 0.00 C ATOM 1815 CG GLU A 117 10.764 23.891 12.459 1.00 0.00 C ATOM 1816 CD GLU A 117 10.995 22.380 12.638 1.00 0.00 C ATOM 1817 OE1 GLU A 117 10.005 21.632 12.731 1.00 0.00 O ATOM 1818 OE2 GLU A 117 12.163 21.930 12.657 1.00 0.00 O ATOM 0 H GLU A 117 10.340 25.693 8.706 1.00 0.00 H new ATOM 0 HA GLU A 117 9.297 26.121 11.460 1.00 0.00 H new ATOM 0 HB2 GLU A 117 9.405 23.710 10.797 1.00 0.00 H new ATOM 0 HB3 GLU A 117 11.082 23.907 10.328 1.00 0.00 H new ATOM 0 HG2 GLU A 117 11.682 24.427 12.699 1.00 0.00 H new ATOM 0 HG3 GLU A 117 10.006 24.226 13.167 1.00 0.00 H new ATOM 1825 N ARG A 118 12.310 26.565 10.135 1.00 0.00 N ATOM 1826 CA ARG A 118 13.685 27.091 10.339 1.00 0.00 C ATOM 1827 C ARG A 118 13.714 28.632 10.301 1.00 0.00 C ATOM 1828 O ARG A 118 14.536 29.257 10.985 1.00 0.00 O ATOM 1829 CB ARG A 118 14.647 26.454 9.276 1.00 0.00 C ATOM 1830 CG ARG A 118 16.174 26.500 9.604 1.00 0.00 C ATOM 1831 CD ARG A 118 16.867 27.824 9.226 1.00 0.00 C ATOM 1832 NE ARG A 118 18.273 27.858 9.688 1.00 0.00 N ATOM 1833 CZ ARG A 118 19.177 28.813 9.395 1.00 0.00 C ATOM 1834 NH1 ARG A 118 18.873 29.813 8.581 1.00 0.00 N ATOM 1835 NH2 ARG A 118 20.395 28.744 9.916 1.00 0.00 N ATOM 0 H ARG A 118 12.158 26.177 9.204 1.00 0.00 H new ATOM 0 HA ARG A 118 14.032 26.807 11.333 1.00 0.00 H new ATOM 0 HB2 ARG A 118 14.359 25.412 9.136 1.00 0.00 H new ATOM 0 HB3 ARG A 118 14.487 26.960 8.324 1.00 0.00 H new ATOM 0 HG2 ARG A 118 16.309 26.325 10.671 1.00 0.00 H new ATOM 0 HG3 ARG A 118 16.670 25.682 9.081 1.00 0.00 H new ATOM 0 HD2 ARG A 118 16.836 27.955 8.144 1.00 0.00 H new ATOM 0 HD3 ARG A 118 16.320 28.659 9.664 1.00 0.00 H new ATOM 0 HE ARG A 118 18.585 27.089 10.281 1.00 0.00 H new ATOM 0 HH11 ARG A 118 17.943 29.868 8.166 1.00 0.00 H new ATOM 0 HH12 ARG A 118 19.569 30.528 8.369 1.00 0.00 H new ATOM 0 HH21 ARG A 118 20.642 27.971 10.534 1.00 0.00 H new ATOM 0 HH22 ARG A 118 21.084 29.464 9.698 1.00 0.00 H new ATOM 1849 N ILE A 119 12.813 29.239 9.504 1.00 0.00 N ATOM 1850 CA ILE A 119 12.677 30.711 9.436 1.00 0.00 C ATOM 1851 C ILE A 119 12.091 31.244 10.757 1.00 0.00 C ATOM 1852 O ILE A 119 12.404 32.353 11.179 1.00 0.00 O ATOM 1853 CB ILE A 119 11.782 31.152 8.201 1.00 0.00 C ATOM 1854 CG1 ILE A 119 12.433 30.686 6.854 1.00 0.00 C ATOM 1855 CG2 ILE A 119 11.517 32.685 8.175 1.00 0.00 C ATOM 1856 CD1 ILE A 119 13.801 31.292 6.556 1.00 0.00 C ATOM 0 H ILE A 119 12.167 28.734 8.897 1.00 0.00 H new ATOM 0 HA ILE A 119 13.667 31.142 9.290 1.00 0.00 H new ATOM 0 HB ILE A 119 10.815 30.662 8.319 1.00 0.00 H new ATOM 0 HG12 ILE A 119 12.529 29.600 6.871 1.00 0.00 H new ATOM 0 HG13 ILE A 119 11.757 30.934 6.036 1.00 0.00 H new ATOM 0 HG21 ILE A 119 10.901 32.933 7.311 1.00 0.00 H new ATOM 0 HG22 ILE A 119 10.999 32.980 9.087 1.00 0.00 H new ATOM 0 HG23 ILE A 119 12.466 33.217 8.109 1.00 0.00 H new ATOM 0 HD11 ILE A 119 14.169 30.909 5.604 1.00 0.00 H new ATOM 0 HD12 ILE A 119 13.714 32.377 6.502 1.00 0.00 H new ATOM 0 HD13 ILE A 119 14.499 31.023 7.349 1.00 0.00 H new ATOM 1868 N ILE A 120 11.289 30.403 11.428 1.00 0.00 N ATOM 1869 CA ILE A 120 10.559 30.771 12.648 1.00 0.00 C ATOM 1870 C ILE A 120 11.461 30.502 13.879 1.00 0.00 C ATOM 1871 O ILE A 120 11.428 29.415 14.470 1.00 0.00 O ATOM 1872 CB ILE A 120 9.173 29.993 12.771 1.00 0.00 C ATOM 1873 CG1 ILE A 120 8.190 30.311 11.582 1.00 0.00 C ATOM 1874 CG2 ILE A 120 8.473 30.303 14.119 1.00 0.00 C ATOM 1875 CD1 ILE A 120 8.609 29.816 10.210 1.00 0.00 C ATOM 0 H ILE A 120 11.128 29.439 11.135 1.00 0.00 H new ATOM 0 HA ILE A 120 10.315 31.832 12.601 1.00 0.00 H new ATOM 0 HB ILE A 120 9.419 28.932 12.726 1.00 0.00 H new ATOM 0 HG12 ILE A 120 7.217 29.880 11.818 1.00 0.00 H new ATOM 0 HG13 ILE A 120 8.056 31.391 11.529 1.00 0.00 H new ATOM 0 HG21 ILE A 120 7.531 29.758 14.173 1.00 0.00 H new ATOM 0 HG22 ILE A 120 9.118 29.996 14.943 1.00 0.00 H new ATOM 0 HG23 ILE A 120 8.278 31.373 14.190 1.00 0.00 H new ATOM 0 HD11 ILE A 120 7.853 30.095 9.476 1.00 0.00 H new ATOM 0 HD12 ILE A 120 9.564 30.266 9.937 1.00 0.00 H new ATOM 0 HD13 ILE A 120 8.712 28.731 10.230 1.00 0.00 H new ATOM 1887 N ARG A 121 12.341 31.475 14.199 1.00 0.00 N ATOM 1888 CA ARG A 121 13.224 31.423 15.395 1.00 0.00 C ATOM 1889 C ARG A 121 13.249 32.786 16.138 1.00 0.00 C ATOM 1890 O ARG A 121 13.235 32.807 17.371 1.00 0.00 O ATOM 1891 CB ARG A 121 14.664 30.963 15.000 1.00 0.00 C ATOM 1892 CG ARG A 121 14.735 29.509 14.467 1.00 0.00 C ATOM 1893 CD ARG A 121 16.160 29.028 14.148 1.00 0.00 C ATOM 1894 NE ARG A 121 16.153 27.634 13.667 1.00 0.00 N ATOM 1895 CZ ARG A 121 17.214 26.936 13.227 1.00 0.00 C ATOM 1896 NH1 ARG A 121 18.415 27.492 13.117 1.00 0.00 N ATOM 1897 NH2 ARG A 121 17.050 25.673 12.875 1.00 0.00 N ATOM 0 H ARG A 121 12.463 32.319 13.640 1.00 0.00 H new ATOM 0 HA ARG A 121 12.814 30.685 16.085 1.00 0.00 H new ATOM 0 HB2 ARG A 121 15.054 31.638 14.238 1.00 0.00 H new ATOM 0 HB3 ARG A 121 15.315 31.053 15.870 1.00 0.00 H new ATOM 0 HG2 ARG A 121 14.294 28.840 15.206 1.00 0.00 H new ATOM 0 HG3 ARG A 121 14.127 29.433 13.566 1.00 0.00 H new ATOM 0 HD2 ARG A 121 16.605 29.675 13.392 1.00 0.00 H new ATOM 0 HD3 ARG A 121 16.782 29.105 15.040 1.00 0.00 H new ATOM 0 HE ARG A 121 15.254 27.152 13.668 1.00 0.00 H new ATOM 0 HH11 ARG A 121 18.549 28.471 13.369 1.00 0.00 H new ATOM 0 HH12 ARG A 121 19.204 26.940 12.780 1.00 0.00 H new ATOM 0 HH21 ARG A 121 16.128 25.241 12.939 1.00 0.00 H new ATOM 0 HH22 ARG A 121 17.845 25.130 12.539 1.00 0.00 H new