USER MOD reduce.3.24.130724 H: found=0, std=0, add=710, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 711 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 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 56 GLN : amide:sc= -0.882 K(o=-1.4,f=-6.6!) USER MOD Set 2.2: A 61 HIS : no HD1:sc= -0.499 K(o=-1.4,f=-2) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -1.66 X(o=-1.7,f=-1.2) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.0135 X(o=-0.014,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 161:sc= -0.905 (180deg=-1.44) USER MOD Single : A 26 CYS SG : rot 6:sc= 0.84 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 CYS SG : rot 15:sc= -2.33 USER MOD Single : A 32 SER OG : rot -48:sc= 0.426 USER MOD Single : A 34 ASN : amide:sc= -2.09! C(o=-2.1!,f=-7.2!) USER MOD Single : A 38 LYS NZ :NH3+ 158:sc= -1.24 (180deg=-2.05!) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -109:sc= 1.13 (180deg=-0.325) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ -160:sc= -0.0919 (180deg=-0.483) USER MOD Single : A 67 ASN : amide:sc= -0.766 K(o=-0.77,f=-4.3!) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot 100:sc= -0.252 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 ASN : amide:sc=-0.00936 K(o=-0.0094,f=-1.4) USER MOD Single : A 86 THR OG1 : rot 36:sc= 0.204 USER MOD Single : A 90 LYS NZ :NH3+ -166:sc= -0.0116 (180deg=-0.177) USER MOD Single : A 92 HIS : no HD1:sc= -0.563 K(o=-0.56,f=-0.057) USER MOD ----------------------------------------------------------------- ATOM 66 N LEU A 8 -13.825 -2.311 12.181 1.00 0.00 N ATOM 67 CA LEU A 8 -12.494 -2.732 11.758 1.00 0.00 C ATOM 68 C LEU A 8 -11.432 -2.249 12.741 1.00 0.00 C ATOM 69 O LEU A 8 -11.352 -1.059 13.049 1.00 0.00 O ATOM 70 CB LEU A 8 -12.189 -2.199 10.357 1.00 0.00 C ATOM 71 CG LEU A 8 -10.764 -2.421 9.850 1.00 0.00 C ATOM 72 CD1 LEU A 8 -10.555 -3.877 9.465 1.00 0.00 C ATOM 73 CD2 LEU A 8 -10.470 -1.507 8.668 1.00 0.00 C ATOM 0 HA LEU A 8 -12.475 -3.822 11.737 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -12.880 -2.665 9.654 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -12.395 -1.129 10.344 1.00 0.00 H new ATOM 0 HG LEU A 8 -10.070 -2.176 10.654 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -9.535 -4.016 9.106 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.723 -4.511 10.335 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -11.257 -4.149 8.677 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -9.451 -1.678 8.320 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.170 -1.720 7.860 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -10.578 -0.467 8.977 1.00 0.00 H new ATOM 85 N LYS A 9 -10.617 -3.178 13.228 1.00 0.00 N ATOM 86 CA LYS A 9 -9.557 -2.848 14.173 1.00 0.00 C ATOM 87 C LYS A 9 -8.183 -3.084 13.553 1.00 0.00 C ATOM 88 O LYS A 9 -7.820 -4.218 13.240 1.00 0.00 O ATOM 89 CB LYS A 9 -9.704 -3.682 15.447 1.00 0.00 C ATOM 90 CG LYS A 9 -10.741 -3.137 16.414 1.00 0.00 C ATOM 91 CD LYS A 9 -10.502 -3.640 17.828 1.00 0.00 C ATOM 92 CE LYS A 9 -10.984 -2.636 18.865 1.00 0.00 C ATOM 93 NZ LYS A 9 -12.444 -2.764 19.125 1.00 0.00 N ATOM 0 H LYS A 9 -10.670 -4.167 12.983 1.00 0.00 H new ATOM 0 HA LYS A 9 -9.645 -1.791 14.426 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -9.974 -4.702 15.174 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -8.739 -3.732 15.952 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -10.712 -2.047 16.404 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -11.737 -3.432 16.085 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -11.019 -4.589 17.970 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -9.439 -3.832 17.972 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -10.435 -2.783 19.795 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -10.764 -1.625 18.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -12.733 -2.063 19.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -12.970 -2.598 18.243 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -12.651 -3.720 19.477 1.00 0.00 H new ATOM 107 N ILE A 10 -7.424 -2.007 13.382 1.00 0.00 N ATOM 108 CA ILE A 10 -6.089 -2.098 12.802 1.00 0.00 C ATOM 109 C ILE A 10 -5.100 -2.700 13.794 1.00 0.00 C ATOM 110 O ILE A 10 -4.958 -2.216 14.918 1.00 0.00 O ATOM 111 CB ILE A 10 -5.574 -0.718 12.355 1.00 0.00 C ATOM 112 CG1 ILE A 10 -6.445 -0.166 11.224 1.00 0.00 C ATOM 113 CG2 ILE A 10 -4.121 -0.812 11.913 1.00 0.00 C ATOM 114 CD1 ILE A 10 -7.711 0.505 11.709 1.00 0.00 C ATOM 0 H ILE A 10 -7.710 -1.062 13.637 1.00 0.00 H new ATOM 0 HA ILE A 10 -6.167 -2.747 11.930 1.00 0.00 H new ATOM 0 HB ILE A 10 -5.633 -0.034 13.201 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -5.863 0.550 10.644 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -6.710 -0.981 10.550 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.772 0.172 11.600 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.510 -1.167 12.743 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -4.039 -1.509 11.079 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -8.279 0.872 10.854 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -8.314 -0.214 12.264 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.454 1.341 12.359 1.00 0.00 H new ATOM 126 N LEU A 11 -4.416 -3.758 13.371 1.00 0.00 N ATOM 127 CA LEU A 11 -3.437 -4.426 14.221 1.00 0.00 C ATOM 128 C LEU A 11 -2.019 -3.993 13.863 1.00 0.00 C ATOM 129 O LEU A 11 -1.272 -3.506 14.712 1.00 0.00 O ATOM 130 CB LEU A 11 -3.568 -5.944 14.088 1.00 0.00 C ATOM 131 CG LEU A 11 -4.946 -6.529 14.401 1.00 0.00 C ATOM 132 CD1 LEU A 11 -5.039 -7.967 13.914 1.00 0.00 C ATOM 133 CD2 LEU A 11 -5.232 -6.450 15.894 1.00 0.00 C ATOM 0 H LEU A 11 -4.522 -4.171 12.445 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.634 -4.140 15.254 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.300 -6.224 13.069 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -2.838 -6.411 14.750 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.698 -5.940 13.875 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -6.026 -8.366 14.145 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -4.879 -7.997 12.836 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -4.278 -8.569 14.411 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -6.217 -6.871 16.099 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.476 -7.014 16.440 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.209 -5.408 16.214 1.00 0.00 H new ATOM 145 N THR A 12 -1.653 -4.173 12.597 1.00 0.00 N ATOM 146 CA THR A 12 -0.325 -3.800 12.125 1.00 0.00 C ATOM 147 C THR A 12 -0.411 -2.819 10.962 1.00 0.00 C ATOM 148 O THR A 12 -0.434 -3.205 9.793 1.00 0.00 O ATOM 149 CB THR A 12 0.480 -5.036 11.682 1.00 0.00 C ATOM 150 OG1 THR A 12 0.409 -6.054 12.686 1.00 0.00 O ATOM 151 CG2 THR A 12 1.935 -4.670 11.426 1.00 0.00 C ATOM 0 H THR A 12 -2.258 -4.575 11.881 1.00 0.00 H new ATOM 0 HA THR A 12 0.186 -3.323 12.961 1.00 0.00 H new ATOM 0 HB THR A 12 0.047 -5.411 10.755 1.00 0.00 H new ATOM 0 HG1 THR A 12 0.922 -6.837 12.395 1.00 0.00 H new ATOM 0 HG21 THR A 12 2.484 -5.558 11.114 1.00 0.00 H new ATOM 0 HG22 THR A 12 1.988 -3.916 10.640 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.376 -4.273 12.340 1.00 0.00 H new ATOM 159 N PRO A 13 -0.458 -1.518 11.286 1.00 0.00 N ATOM 160 CA PRO A 13 -0.540 -0.454 10.280 1.00 0.00 C ATOM 161 C PRO A 13 0.752 -0.310 9.482 1.00 0.00 C ATOM 162 O PRO A 13 1.846 -0.511 10.011 1.00 0.00 O ATOM 163 CB PRO A 13 -0.796 0.803 11.114 1.00 0.00 C ATOM 164 CG PRO A 13 -0.229 0.490 12.456 1.00 0.00 C ATOM 165 CD PRO A 13 -0.433 -0.986 12.658 1.00 0.00 C ATOM 0 HA PRO A 13 -1.312 -0.654 9.537 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.313 1.675 10.674 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.861 1.026 11.177 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.829 0.748 12.502 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.731 1.064 13.235 1.00 0.00 H new ATOM 0 HD2 PRO A 13 0.373 -1.426 13.245 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -1.363 -1.194 13.187 1.00 0.00 H new ATOM 173 N LEU A 14 0.618 0.040 8.208 1.00 0.00 N ATOM 174 CA LEU A 14 1.775 0.212 7.336 1.00 0.00 C ATOM 175 C LEU A 14 2.892 0.963 8.055 1.00 0.00 C ATOM 176 O LEU A 14 2.635 1.877 8.839 1.00 0.00 O ATOM 177 CB LEU A 14 1.375 0.965 6.067 1.00 0.00 C ATOM 178 CG LEU A 14 0.202 0.378 5.280 1.00 0.00 C ATOM 179 CD1 LEU A 14 -0.523 1.470 4.509 1.00 0.00 C ATOM 180 CD2 LEU A 14 0.685 -0.713 4.336 1.00 0.00 C ATOM 0 H LEU A 14 -0.280 0.210 7.755 1.00 0.00 H new ATOM 0 HA LEU A 14 2.143 -0.777 7.063 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.126 1.991 6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 14 2.242 1.012 5.408 1.00 0.00 H new ATOM 0 HG LEU A 14 -0.499 -0.066 5.987 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -1.354 1.034 3.955 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.903 2.216 5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 14 0.168 1.944 3.812 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -0.163 -1.119 3.785 1.00 0.00 H new ATOM 0 HD22 LEU A 14 1.407 -0.294 3.635 1.00 0.00 H new ATOM 0 HD23 LEU A 14 1.158 -1.509 4.911 1.00 0.00 H new ATOM 192 N THR A 15 4.132 0.571 7.782 1.00 0.00 N ATOM 193 CA THR A 15 5.288 1.207 8.402 1.00 0.00 C ATOM 194 C THR A 15 6.181 1.864 7.355 1.00 0.00 C ATOM 195 O THR A 15 6.455 1.281 6.306 1.00 0.00 O ATOM 196 CB THR A 15 6.122 0.194 9.209 1.00 0.00 C ATOM 197 OG1 THR A 15 6.333 -0.993 8.435 1.00 0.00 O ATOM 198 CG2 THR A 15 5.426 -0.162 10.514 1.00 0.00 C ATOM 0 H THR A 15 4.362 -0.184 7.136 1.00 0.00 H new ATOM 0 HA THR A 15 4.904 1.970 9.079 1.00 0.00 H new ATOM 0 HB THR A 15 7.084 0.651 9.442 1.00 0.00 H new ATOM 0 HG1 THR A 15 6.865 -1.632 8.954 1.00 0.00 H new ATOM 0 HG21 THR A 15 6.034 -0.879 11.067 1.00 0.00 H new ATOM 0 HG22 THR A 15 5.293 0.739 11.113 1.00 0.00 H new ATOM 0 HG23 THR A 15 4.452 -0.602 10.299 1.00 0.00 H new ATOM 206 N ASP A 16 6.633 3.078 7.648 1.00 0.00 N ATOM 207 CA ASP A 16 7.497 3.814 6.732 1.00 0.00 C ATOM 208 C ASP A 16 8.539 2.890 6.109 1.00 0.00 C ATOM 209 O ASP A 16 9.208 2.131 6.810 1.00 0.00 O ATOM 210 CB ASP A 16 8.190 4.964 7.464 1.00 0.00 C ATOM 211 CG ASP A 16 8.644 4.574 8.857 1.00 0.00 C ATOM 212 OD1 ASP A 16 9.470 3.646 8.973 1.00 0.00 O ATOM 213 OD2 ASP A 16 8.172 5.197 9.831 1.00 0.00 O ATOM 0 H ASP A 16 6.416 3.574 8.513 1.00 0.00 H new ATOM 0 HA ASP A 16 6.876 4.223 5.935 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.052 5.294 6.883 1.00 0.00 H new ATOM 0 HB3 ASP A 16 7.508 5.811 7.531 1.00 0.00 H new ATOM 218 N GLN A 17 8.670 2.960 4.788 1.00 0.00 N ATOM 219 CA GLN A 17 9.630 2.129 4.071 1.00 0.00 C ATOM 220 C GLN A 17 10.570 2.985 3.229 1.00 0.00 C ATOM 221 O GLN A 17 10.154 3.977 2.628 1.00 0.00 O ATOM 222 CB GLN A 17 8.899 1.124 3.179 1.00 0.00 C ATOM 223 CG GLN A 17 8.423 -0.115 3.920 1.00 0.00 C ATOM 224 CD GLN A 17 9.464 -0.656 4.881 1.00 0.00 C ATOM 225 OE1 GLN A 17 10.407 -1.336 4.474 1.00 0.00 O ATOM 226 NE2 GLN A 17 9.299 -0.355 6.164 1.00 0.00 N ATOM 0 H GLN A 17 8.124 3.583 4.193 1.00 0.00 H new ATOM 0 HA GLN A 17 10.224 1.587 4.807 1.00 0.00 H new ATOM 0 HB2 GLN A 17 8.041 1.615 2.721 1.00 0.00 H new ATOM 0 HB3 GLN A 17 9.562 0.820 2.369 1.00 0.00 H new ATOM 0 HG2 GLN A 17 7.514 0.123 4.472 1.00 0.00 H new ATOM 0 HG3 GLN A 17 8.164 -0.889 3.197 1.00 0.00 H new ATOM 0 HE21 GLN A 17 8.503 0.211 6.457 1.00 0.00 H new ATOM 0 HE22 GLN A 17 9.968 -0.690 6.857 1.00 0.00 H new ATOM 235 N THR A 18 11.841 2.597 3.189 1.00 0.00 N ATOM 236 CA THR A 18 12.840 3.329 2.422 1.00 0.00 C ATOM 237 C THR A 18 13.702 2.382 1.595 1.00 0.00 C ATOM 238 O THR A 18 14.202 1.378 2.103 1.00 0.00 O ATOM 239 CB THR A 18 13.752 4.165 3.340 1.00 0.00 C ATOM 240 OG1 THR A 18 12.957 4.952 4.235 1.00 0.00 O ATOM 241 CG2 THR A 18 14.656 5.075 2.523 1.00 0.00 C ATOM 0 H THR A 18 12.202 1.779 3.680 1.00 0.00 H new ATOM 0 HA THR A 18 12.297 3.998 1.754 1.00 0.00 H new ATOM 0 HB THR A 18 14.377 3.481 3.915 1.00 0.00 H new ATOM 0 HG1 THR A 18 13.544 5.479 4.816 1.00 0.00 H new ATOM 0 HG21 THR A 18 15.290 5.655 3.193 1.00 0.00 H new ATOM 0 HG22 THR A 18 15.280 4.471 1.864 1.00 0.00 H new ATOM 0 HG23 THR A 18 14.046 5.752 1.925 1.00 0.00 H new ATOM 249 N VAL A 19 13.872 2.707 0.317 1.00 0.00 N ATOM 250 CA VAL A 19 14.676 1.886 -0.580 1.00 0.00 C ATOM 251 C VAL A 19 15.271 2.723 -1.706 1.00 0.00 C ATOM 252 O VAL A 19 14.654 3.677 -2.177 1.00 0.00 O ATOM 253 CB VAL A 19 13.844 0.742 -1.190 1.00 0.00 C ATOM 254 CG1 VAL A 19 13.255 -0.134 -0.094 1.00 0.00 C ATOM 255 CG2 VAL A 19 12.747 1.300 -2.084 1.00 0.00 C ATOM 0 H VAL A 19 13.463 3.533 -0.120 1.00 0.00 H new ATOM 0 HA VAL A 19 15.482 1.461 0.017 1.00 0.00 H new ATOM 0 HB VAL A 19 14.502 0.124 -1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 19 12.671 -0.936 -0.544 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.061 -0.562 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 19 12.611 0.468 0.547 1.00 0.00 H new ATOM 0 HG21 VAL A 19 12.169 0.478 -2.507 1.00 0.00 H new ATOM 0 HG22 VAL A 19 12.090 1.941 -1.497 1.00 0.00 H new ATOM 0 HG23 VAL A 19 13.195 1.881 -2.890 1.00 0.00 H new ATOM 265 N ASN A 20 16.475 2.358 -2.135 1.00 0.00 N ATOM 266 CA ASN A 20 17.155 3.075 -3.207 1.00 0.00 C ATOM 267 C ASN A 20 16.427 2.887 -4.535 1.00 0.00 C ATOM 268 O ASN A 20 15.939 1.797 -4.839 1.00 0.00 O ATOM 269 CB ASN A 20 18.602 2.595 -3.333 1.00 0.00 C ATOM 270 CG ASN A 20 19.537 3.322 -2.387 1.00 0.00 C ATOM 271 OD1 ASN A 20 19.530 3.079 -1.180 1.00 0.00 O ATOM 272 ND2 ASN A 20 20.348 4.221 -2.932 1.00 0.00 N ATOM 0 H ASN A 20 17.000 1.570 -1.756 1.00 0.00 H new ATOM 0 HA ASN A 20 17.152 4.136 -2.959 1.00 0.00 H new ATOM 0 HB2 ASN A 20 18.646 1.525 -3.131 1.00 0.00 H new ATOM 0 HB3 ASN A 20 18.942 2.740 -4.358 1.00 0.00 H new ATOM 0 HD21 ASN A 20 20.999 4.742 -2.345 1.00 0.00 H new ATOM 0 HD22 ASN A 20 20.320 4.390 -3.937 1.00 0.00 H new ATOM 279 N LEU A 21 16.358 3.954 -5.323 1.00 0.00 N ATOM 280 CA LEU A 21 15.691 3.907 -6.619 1.00 0.00 C ATOM 281 C LEU A 21 15.903 2.554 -7.292 1.00 0.00 C ATOM 282 O LEU A 21 16.976 1.962 -7.193 1.00 0.00 O ATOM 283 CB LEU A 21 16.210 5.026 -7.523 1.00 0.00 C ATOM 284 CG LEU A 21 15.223 5.565 -8.559 1.00 0.00 C ATOM 285 CD1 LEU A 21 15.526 7.020 -8.879 1.00 0.00 C ATOM 286 CD2 LEU A 21 15.263 4.719 -9.824 1.00 0.00 C ATOM 0 H LEU A 21 16.756 4.863 -5.087 1.00 0.00 H new ATOM 0 HA LEU A 21 14.623 4.047 -6.455 1.00 0.00 H new ATOM 0 HB2 LEU A 21 16.533 5.855 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 21 17.093 4.662 -8.047 1.00 0.00 H new ATOM 0 HG LEU A 21 14.219 5.509 -8.139 1.00 0.00 H new ATOM 0 HD11 LEU A 21 14.813 7.386 -9.618 1.00 0.00 H new ATOM 0 HD12 LEU A 21 15.445 7.617 -7.970 1.00 0.00 H new ATOM 0 HD13 LEU A 21 16.537 7.102 -9.278 1.00 0.00 H new ATOM 0 HD21 LEU A 21 14.554 5.117 -10.550 1.00 0.00 H new ATOM 0 HD22 LEU A 21 16.268 4.743 -10.246 1.00 0.00 H new ATOM 0 HD23 LEU A 21 14.996 3.690 -9.582 1.00 0.00 H new ATOM 298 N GLY A 22 14.871 2.073 -7.978 1.00 0.00 N ATOM 299 CA GLY A 22 14.966 0.795 -8.660 1.00 0.00 C ATOM 300 C GLY A 22 14.581 -0.368 -7.766 1.00 0.00 C ATOM 301 O GLY A 22 13.965 -1.333 -8.221 1.00 0.00 O ATOM 0 H GLY A 22 13.972 2.545 -8.074 1.00 0.00 H new ATOM 0 HA2 GLY A 22 14.319 0.805 -9.537 1.00 0.00 H new ATOM 0 HA3 GLY A 22 15.986 0.652 -9.018 1.00 0.00 H new ATOM 305 N LYS A 23 14.945 -0.279 -6.492 1.00 0.00 N ATOM 306 CA LYS A 23 14.635 -1.331 -5.531 1.00 0.00 C ATOM 307 C LYS A 23 13.187 -1.789 -5.674 1.00 0.00 C ATOM 308 O LYS A 23 12.372 -1.110 -6.298 1.00 0.00 O ATOM 309 CB LYS A 23 14.887 -0.839 -4.105 1.00 0.00 C ATOM 310 CG LYS A 23 16.330 -0.993 -3.654 1.00 0.00 C ATOM 311 CD LYS A 23 16.568 -2.343 -2.999 1.00 0.00 C ATOM 312 CE LYS A 23 16.699 -3.450 -4.034 1.00 0.00 C ATOM 313 NZ LYS A 23 17.636 -3.077 -5.130 1.00 0.00 N ATOM 0 H LYS A 23 15.456 0.512 -6.100 1.00 0.00 H new ATOM 0 HA LYS A 23 15.288 -2.179 -5.736 1.00 0.00 H new ATOM 0 HB2 LYS A 23 14.604 0.211 -4.037 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.241 -1.388 -3.421 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.994 -0.881 -4.511 1.00 0.00 H new ATOM 0 HG3 LYS A 23 16.580 -0.198 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.474 -2.300 -2.394 1.00 0.00 H new ATOM 0 HD3 LYS A 23 15.744 -2.571 -2.323 1.00 0.00 H new ATOM 0 HE2 LYS A 23 17.051 -4.360 -3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 23 15.718 -3.672 -4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.949 -3.936 -5.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 17.152 -2.446 -5.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 18.462 -2.588 -4.729 1.00 0.00 H new ATOM 327 N GLU A 24 12.875 -2.941 -5.090 1.00 0.00 N ATOM 328 CA GLU A 24 11.524 -3.487 -5.152 1.00 0.00 C ATOM 329 C GLU A 24 10.697 -3.032 -3.954 1.00 0.00 C ATOM 330 O GLU A 24 10.828 -3.572 -2.855 1.00 0.00 O ATOM 331 CB GLU A 24 11.570 -5.016 -5.203 1.00 0.00 C ATOM 332 CG GLU A 24 10.226 -5.655 -5.512 1.00 0.00 C ATOM 333 CD GLU A 24 10.331 -7.150 -5.744 1.00 0.00 C ATOM 334 OE1 GLU A 24 10.832 -7.856 -4.843 1.00 0.00 O ATOM 335 OE2 GLU A 24 9.913 -7.614 -6.825 1.00 0.00 O ATOM 0 H GLU A 24 13.538 -3.514 -4.569 1.00 0.00 H new ATOM 0 HA GLU A 24 11.051 -3.114 -6.060 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.292 -5.324 -5.959 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.930 -5.393 -4.246 1.00 0.00 H new ATOM 0 HG2 GLU A 24 9.540 -5.466 -4.686 1.00 0.00 H new ATOM 0 HG3 GLU A 24 9.798 -5.183 -6.396 1.00 0.00 H new ATOM 342 N ILE A 25 9.847 -2.035 -4.173 1.00 0.00 N ATOM 343 CA ILE A 25 8.999 -1.507 -3.112 1.00 0.00 C ATOM 344 C ILE A 25 8.211 -2.621 -2.432 1.00 0.00 C ATOM 345 O ILE A 25 7.847 -3.613 -3.065 1.00 0.00 O ATOM 346 CB ILE A 25 8.014 -0.452 -3.651 1.00 0.00 C ATOM 347 CG1 ILE A 25 8.775 0.695 -4.318 1.00 0.00 C ATOM 348 CG2 ILE A 25 7.133 0.073 -2.527 1.00 0.00 C ATOM 349 CD1 ILE A 25 9.537 1.564 -3.342 1.00 0.00 C ATOM 0 H ILE A 25 9.727 -1.576 -5.076 1.00 0.00 H new ATOM 0 HA ILE A 25 9.660 -1.037 -2.384 1.00 0.00 H new ATOM 0 HB ILE A 25 7.375 -0.922 -4.399 1.00 0.00 H new ATOM 0 HG12 ILE A 25 9.473 0.282 -5.046 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.069 1.316 -4.870 1.00 0.00 H new ATOM 0 HG21 ILE A 25 6.443 0.817 -2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 25 6.568 -0.751 -2.093 1.00 0.00 H new ATOM 0 HG23 ILE A 25 7.757 0.530 -1.759 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.052 2.356 -3.885 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.841 2.006 -2.629 1.00 0.00 H new ATOM 0 HD13 ILE A 25 10.267 0.957 -2.807 1.00 0.00 H new ATOM 361 N CYS A 26 7.950 -2.451 -1.141 1.00 0.00 N ATOM 362 CA CYS A 26 7.204 -3.442 -0.374 1.00 0.00 C ATOM 363 C CYS A 26 6.425 -2.781 0.758 1.00 0.00 C ATOM 364 O CYS A 26 6.971 -1.974 1.513 1.00 0.00 O ATOM 365 CB CYS A 26 8.153 -4.499 0.192 1.00 0.00 C ATOM 366 SG CYS A 26 8.963 -4.013 1.734 1.00 0.00 S ATOM 0 H CYS A 26 8.244 -1.636 -0.603 1.00 0.00 H new ATOM 0 HA CYS A 26 6.493 -3.924 -1.045 1.00 0.00 H new ATOM 0 HB2 CYS A 26 7.595 -5.420 0.362 1.00 0.00 H new ATOM 0 HB3 CYS A 26 8.917 -4.722 -0.553 1.00 0.00 H new ATOM 0 HG CYS A 26 8.480 -2.876 2.138 1.00 0.00 H new ATOM 372 N LEU A 27 5.147 -3.125 0.871 1.00 0.00 N ATOM 373 CA LEU A 27 4.292 -2.564 1.910 1.00 0.00 C ATOM 374 C LEU A 27 3.241 -3.575 2.357 1.00 0.00 C ATOM 375 O LEU A 27 2.337 -3.924 1.597 1.00 0.00 O ATOM 376 CB LEU A 27 3.610 -1.291 1.405 1.00 0.00 C ATOM 377 CG LEU A 27 4.497 -0.051 1.296 1.00 0.00 C ATOM 378 CD1 LEU A 27 3.738 1.093 0.642 1.00 0.00 C ATOM 379 CD2 LEU A 27 5.009 0.361 2.669 1.00 0.00 C ATOM 0 H LEU A 27 4.680 -3.790 0.255 1.00 0.00 H new ATOM 0 HA LEU A 27 4.919 -2.318 2.767 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.185 -1.496 0.423 1.00 0.00 H new ATOM 0 HB3 LEU A 27 2.778 -1.060 2.070 1.00 0.00 H new ATOM 0 HG LEU A 27 5.355 -0.295 0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.386 1.967 0.573 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.422 0.796 -0.358 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.861 1.338 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.639 1.245 2.572 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.164 0.587 3.320 1.00 0.00 H new ATOM 0 HD23 LEU A 27 5.591 -0.454 3.100 1.00 0.00 H new ATOM 391 N LYS A 28 3.365 -4.042 3.594 1.00 0.00 N ATOM 392 CA LYS A 28 2.425 -5.011 4.145 1.00 0.00 C ATOM 393 C LYS A 28 1.647 -4.412 5.312 1.00 0.00 C ATOM 394 O LYS A 28 2.137 -3.518 6.003 1.00 0.00 O ATOM 395 CB LYS A 28 3.167 -6.268 4.604 1.00 0.00 C ATOM 396 CG LYS A 28 2.251 -7.349 5.151 1.00 0.00 C ATOM 397 CD LYS A 28 2.039 -7.195 6.648 1.00 0.00 C ATOM 398 CE LYS A 28 3.159 -7.853 7.440 1.00 0.00 C ATOM 399 NZ LYS A 28 2.787 -8.048 8.869 1.00 0.00 N ATOM 0 H LYS A 28 4.108 -3.765 4.235 1.00 0.00 H new ATOM 0 HA LYS A 28 1.718 -5.280 3.360 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.732 -6.673 3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 28 3.890 -5.993 5.372 1.00 0.00 H new ATOM 0 HG2 LYS A 28 1.289 -7.305 4.640 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.679 -8.330 4.942 1.00 0.00 H new ATOM 0 HD2 LYS A 28 1.986 -6.136 6.902 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.084 -7.639 6.929 1.00 0.00 H new ATOM 0 HE2 LYS A 28 3.402 -8.817 6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.057 -7.238 7.379 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.576 -8.499 9.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.580 -7.126 9.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 1.945 -8.656 8.929 1.00 0.00 H new ATOM 413 N CYS A 29 0.435 -4.911 5.527 1.00 0.00 N ATOM 414 CA CYS A 29 -0.410 -4.425 6.612 1.00 0.00 C ATOM 415 C CYS A 29 -1.316 -5.536 7.135 1.00 0.00 C ATOM 416 O CYS A 29 -1.626 -6.486 6.418 1.00 0.00 O ATOM 417 CB CYS A 29 -1.256 -3.243 6.137 1.00 0.00 C ATOM 418 SG CYS A 29 -1.800 -2.144 7.466 1.00 0.00 S ATOM 0 H CYS A 29 0.015 -5.651 4.965 1.00 0.00 H new ATOM 0 HA CYS A 29 0.238 -4.096 7.424 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.680 -2.665 5.415 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.133 -3.624 5.614 1.00 0.00 H new ATOM 0 HG CYS A 29 -1.113 -2.391 8.542 1.00 0.00 H new ATOM 424 N GLU A 30 -1.734 -5.409 8.391 1.00 0.00 N ATOM 425 CA GLU A 30 -2.602 -6.404 9.010 1.00 0.00 C ATOM 426 C GLU A 30 -3.844 -5.747 9.606 1.00 0.00 C ATOM 427 O GLU A 30 -3.799 -4.600 10.051 1.00 0.00 O ATOM 428 CB GLU A 30 -1.844 -7.168 10.098 1.00 0.00 C ATOM 429 CG GLU A 30 -2.552 -8.429 10.562 1.00 0.00 C ATOM 430 CD GLU A 30 -1.728 -9.231 11.550 1.00 0.00 C ATOM 431 OE1 GLU A 30 -1.461 -8.717 12.657 1.00 0.00 O ATOM 432 OE2 GLU A 30 -1.350 -10.374 11.217 1.00 0.00 O ATOM 0 H GLU A 30 -1.486 -4.628 8.999 1.00 0.00 H new ATOM 0 HA GLU A 30 -2.918 -7.105 8.237 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.856 -7.434 9.722 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -1.693 -6.510 10.954 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.502 -8.159 11.022 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.782 -9.051 9.697 1.00 0.00 H new ATOM 439 N ILE A 31 -4.950 -6.483 9.610 1.00 0.00 N ATOM 440 CA ILE A 31 -6.204 -5.973 10.151 1.00 0.00 C ATOM 441 C ILE A 31 -6.942 -7.051 10.938 1.00 0.00 C ATOM 442 O ILE A 31 -6.592 -8.229 10.874 1.00 0.00 O ATOM 443 CB ILE A 31 -7.126 -5.446 9.035 1.00 0.00 C ATOM 444 CG1 ILE A 31 -7.293 -6.503 7.941 1.00 0.00 C ATOM 445 CG2 ILE A 31 -6.569 -4.156 8.452 1.00 0.00 C ATOM 446 CD1 ILE A 31 -8.434 -6.213 6.990 1.00 0.00 C ATOM 0 H ILE A 31 -5.003 -7.434 9.245 1.00 0.00 H new ATOM 0 HA ILE A 31 -5.948 -5.150 10.818 1.00 0.00 H new ATOM 0 HB ILE A 31 -8.106 -5.234 9.463 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -6.366 -6.575 7.372 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -7.457 -7.474 8.407 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -7.232 -3.797 7.665 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -6.496 -3.403 9.237 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -5.579 -4.343 8.036 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -8.493 -7.003 6.241 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -9.370 -6.170 7.547 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -8.262 -5.257 6.496 1.00 0.00 H new ATOM 458 N SER A 32 -7.966 -6.638 11.678 1.00 0.00 N ATOM 459 CA SER A 32 -8.753 -7.568 12.480 1.00 0.00 C ATOM 460 C SER A 32 -9.957 -8.079 11.694 1.00 0.00 C ATOM 461 O SER A 32 -10.930 -8.559 12.273 1.00 0.00 O ATOM 462 CB SER A 32 -9.221 -6.893 13.770 1.00 0.00 C ATOM 463 OG SER A 32 -9.727 -7.845 14.690 1.00 0.00 O ATOM 0 H SER A 32 -8.270 -5.666 11.739 1.00 0.00 H new ATOM 0 HA SER A 32 -8.119 -8.418 12.733 1.00 0.00 H new ATOM 0 HB2 SER A 32 -8.390 -6.351 14.223 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.993 -6.159 13.540 1.00 0.00 H new ATOM 0 HG SER A 32 -10.359 -8.438 14.233 1.00 0.00 H new ATOM 469 N GLU A 33 -9.882 -7.970 10.371 1.00 0.00 N ATOM 470 CA GLU A 33 -10.966 -8.419 9.506 1.00 0.00 C ATOM 471 C GLU A 33 -10.417 -9.057 8.232 1.00 0.00 C ATOM 472 O GLU A 33 -9.296 -8.767 7.814 1.00 0.00 O ATOM 473 CB GLU A 33 -11.882 -7.247 9.148 1.00 0.00 C ATOM 474 CG GLU A 33 -12.886 -6.906 10.236 1.00 0.00 C ATOM 475 CD GLU A 33 -13.974 -7.953 10.376 1.00 0.00 C ATOM 476 OE1 GLU A 33 -13.737 -8.965 11.067 1.00 0.00 O ATOM 477 OE2 GLU A 33 -15.062 -7.760 9.794 1.00 0.00 O ATOM 0 H GLU A 33 -9.083 -7.575 9.876 1.00 0.00 H new ATOM 0 HA GLU A 33 -11.542 -9.169 10.048 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.271 -6.369 8.941 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -12.420 -7.484 8.230 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -12.364 -6.801 11.187 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -13.342 -5.941 10.015 1.00 0.00 H new ATOM 484 N ASN A 34 -11.215 -9.926 7.621 1.00 0.00 N ATOM 485 CA ASN A 34 -10.809 -10.606 6.397 1.00 0.00 C ATOM 486 C ASN A 34 -11.606 -10.095 5.201 1.00 0.00 C ATOM 487 O ASN A 34 -12.519 -10.766 4.718 1.00 0.00 O ATOM 488 CB ASN A 34 -10.997 -12.117 6.541 1.00 0.00 C ATOM 489 CG ASN A 34 -10.670 -12.866 5.263 1.00 0.00 C ATOM 490 OD1 ASN A 34 -10.607 -12.276 4.184 1.00 0.00 O ATOM 491 ND2 ASN A 34 -10.460 -14.172 5.380 1.00 0.00 N ATOM 0 H ASN A 34 -12.146 -10.176 7.953 1.00 0.00 H new ATOM 0 HA ASN A 34 -9.754 -10.393 6.226 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.361 -12.484 7.347 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -12.028 -12.326 6.828 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -10.236 -14.728 4.555 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.523 -14.619 6.295 1.00 0.00 H new ATOM 498 N ILE A 35 -11.256 -8.903 4.728 1.00 0.00 N ATOM 499 CA ILE A 35 -11.938 -8.303 3.589 1.00 0.00 C ATOM 500 C ILE A 35 -10.950 -7.593 2.669 1.00 0.00 C ATOM 501 O ILE A 35 -9.921 -7.075 3.104 1.00 0.00 O ATOM 502 CB ILE A 35 -13.014 -7.299 4.041 1.00 0.00 C ATOM 503 CG1 ILE A 35 -12.477 -6.416 5.170 1.00 0.00 C ATOM 504 CG2 ILE A 35 -14.269 -8.033 4.488 1.00 0.00 C ATOM 505 CD1 ILE A 35 -11.616 -5.272 4.684 1.00 0.00 C ATOM 0 H ILE A 35 -10.504 -8.334 5.117 1.00 0.00 H new ATOM 0 HA ILE A 35 -12.418 -9.116 3.045 1.00 0.00 H new ATOM 0 HB ILE A 35 -13.271 -6.660 3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -13.317 -6.013 5.736 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -11.896 -7.031 5.857 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -15.020 -7.310 4.805 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -14.660 -8.623 3.659 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -14.027 -8.693 5.321 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -11.270 -4.689 5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.756 -5.668 4.143 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -12.200 -4.634 4.021 1.00 0.00 H new ATOM 517 N PRO A 36 -11.270 -7.564 1.367 1.00 0.00 N ATOM 518 CA PRO A 36 -10.425 -6.918 0.358 1.00 0.00 C ATOM 519 C PRO A 36 -10.423 -5.399 0.491 1.00 0.00 C ATOM 520 O PRO A 36 -11.370 -4.810 1.009 1.00 0.00 O ATOM 521 CB PRO A 36 -11.068 -7.337 -0.966 1.00 0.00 C ATOM 522 CG PRO A 36 -12.491 -7.617 -0.624 1.00 0.00 C ATOM 523 CD PRO A 36 -12.481 -8.161 0.778 1.00 0.00 C ATOM 0 HA PRO A 36 -9.380 -7.214 0.452 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -10.988 -6.547 -1.712 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -10.580 -8.218 -1.382 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -13.093 -6.710 -0.686 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -12.925 -8.336 -1.319 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.378 -7.874 1.327 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -12.437 -9.250 0.786 1.00 0.00 H new ATOM 531 N GLY A 37 -9.350 -4.769 0.020 1.00 0.00 N ATOM 532 CA GLY A 37 -9.246 -3.324 0.096 1.00 0.00 C ATOM 533 C GLY A 37 -8.635 -2.720 -1.154 1.00 0.00 C ATOM 534 O GLY A 37 -8.338 -3.431 -2.114 1.00 0.00 O ATOM 0 H GLY A 37 -8.552 -5.234 -0.412 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -10.237 -2.899 0.254 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.641 -3.051 0.961 1.00 0.00 H new ATOM 538 N LYS A 38 -8.447 -1.405 -1.143 1.00 0.00 N ATOM 539 CA LYS A 38 -7.868 -0.705 -2.283 1.00 0.00 C ATOM 540 C LYS A 38 -6.867 0.349 -1.823 1.00 0.00 C ATOM 541 O LYS A 38 -7.135 1.109 -0.892 1.00 0.00 O ATOM 542 CB LYS A 38 -8.970 -0.047 -3.117 1.00 0.00 C ATOM 543 CG LYS A 38 -8.450 0.698 -4.334 1.00 0.00 C ATOM 544 CD LYS A 38 -8.143 2.151 -4.010 1.00 0.00 C ATOM 545 CE LYS A 38 -9.383 3.023 -4.131 1.00 0.00 C ATOM 546 NZ LYS A 38 -10.349 2.772 -3.026 1.00 0.00 N ATOM 0 H LYS A 38 -8.688 -0.802 -0.356 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.343 -1.436 -2.898 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.673 -0.813 -3.444 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -9.525 0.647 -2.487 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -7.549 0.209 -4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -9.189 0.651 -5.134 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.744 2.223 -2.998 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.370 2.520 -4.684 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -9.090 4.073 -4.126 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -9.869 2.832 -5.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.973 3.597 -2.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.921 1.933 -3.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.829 2.611 -2.140 1.00 0.00 H new ATOM 560 N TRP A 39 -5.714 0.390 -2.481 1.00 0.00 N ATOM 561 CA TRP A 39 -4.673 1.353 -2.139 1.00 0.00 C ATOM 562 C TRP A 39 -4.838 2.640 -2.939 1.00 0.00 C ATOM 563 O TRP A 39 -5.277 2.617 -4.090 1.00 0.00 O ATOM 564 CB TRP A 39 -3.290 0.752 -2.396 1.00 0.00 C ATOM 565 CG TRP A 39 -3.074 -0.560 -1.703 1.00 0.00 C ATOM 566 CD1 TRP A 39 -3.727 -1.734 -1.950 1.00 0.00 C ATOM 567 CD2 TRP A 39 -2.143 -0.830 -0.650 1.00 0.00 C ATOM 568 NE1 TRP A 39 -3.258 -2.717 -1.113 1.00 0.00 N ATOM 569 CE2 TRP A 39 -2.285 -2.189 -0.307 1.00 0.00 C ATOM 570 CE3 TRP A 39 -1.202 -0.057 0.036 1.00 0.00 C ATOM 571 CZ2 TRP A 39 -1.522 -2.788 0.692 1.00 0.00 C ATOM 572 CZ3 TRP A 39 -0.446 -0.653 1.027 1.00 0.00 C ATOM 573 CH2 TRP A 39 -0.609 -2.007 1.347 1.00 0.00 C ATOM 0 H TRP A 39 -5.476 -0.232 -3.254 1.00 0.00 H new ATOM 0 HA TRP A 39 -4.767 1.591 -1.080 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -3.155 0.615 -3.469 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -2.528 1.458 -2.067 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.498 -1.869 -2.694 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.582 -3.684 -1.095 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -1.068 0.987 -0.204 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -1.646 -3.832 0.941 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 0.283 -0.065 1.564 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -0.002 -2.443 2.126 1.00 0.00 H new ATOM 584 N THR A 40 -4.483 3.764 -2.324 1.00 0.00 N ATOM 585 CA THR A 40 -4.593 5.061 -2.979 1.00 0.00 C ATOM 586 C THR A 40 -3.406 5.954 -2.635 1.00 0.00 C ATOM 587 O THR A 40 -3.043 6.098 -1.468 1.00 0.00 O ATOM 588 CB THR A 40 -5.895 5.783 -2.582 1.00 0.00 C ATOM 589 OG1 THR A 40 -6.075 5.723 -1.163 1.00 0.00 O ATOM 590 CG2 THR A 40 -7.094 5.156 -3.277 1.00 0.00 C ATOM 0 H THR A 40 -4.117 3.802 -1.373 1.00 0.00 H new ATOM 0 HA THR A 40 -4.603 4.872 -4.052 1.00 0.00 H new ATOM 0 HB THR A 40 -5.817 6.824 -2.894 1.00 0.00 H new ATOM 0 HG1 THR A 40 -6.904 6.185 -0.919 1.00 0.00 H new ATOM 0 HG21 THR A 40 -8.002 5.682 -2.982 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.968 5.229 -4.357 1.00 0.00 H new ATOM 0 HG23 THR A 40 -7.173 4.107 -2.991 1.00 0.00 H new ATOM 598 N LYS A 41 -2.805 6.551 -3.658 1.00 0.00 N ATOM 599 CA LYS A 41 -1.659 7.432 -3.465 1.00 0.00 C ATOM 600 C LYS A 41 -2.064 8.894 -3.623 1.00 0.00 C ATOM 601 O LYS A 41 -2.891 9.230 -4.469 1.00 0.00 O ATOM 602 CB LYS A 41 -0.551 7.087 -4.462 1.00 0.00 C ATOM 603 CG LYS A 41 0.844 7.419 -3.960 1.00 0.00 C ATOM 604 CD LYS A 41 1.901 7.117 -5.010 1.00 0.00 C ATOM 605 CE LYS A 41 2.050 8.265 -5.996 1.00 0.00 C ATOM 606 NZ LYS A 41 2.485 7.789 -7.338 1.00 0.00 N ATOM 0 H LYS A 41 -3.093 6.441 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 41 -1.285 7.285 -2.452 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -0.601 6.023 -4.694 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -0.731 7.625 -5.393 1.00 0.00 H new ATOM 0 HG2 LYS A 41 0.892 8.473 -3.687 1.00 0.00 H new ATOM 0 HG3 LYS A 41 1.053 6.846 -3.057 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.857 6.929 -4.522 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.633 6.207 -5.547 1.00 0.00 H new ATOM 0 HE2 LYS A 41 1.100 8.791 -6.087 1.00 0.00 H new ATOM 0 HE3 LYS A 41 2.776 8.982 -5.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 3.469 8.079 -7.507 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.418 6.752 -7.377 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 1.872 8.203 -8.069 1.00 0.00 H new ATOM 620 N ASN A 42 -1.473 9.759 -2.805 1.00 0.00 N ATOM 621 CA ASN A 42 -1.772 11.185 -2.855 1.00 0.00 C ATOM 622 C ASN A 42 -3.265 11.421 -3.060 1.00 0.00 C ATOM 623 O ASN A 42 -3.667 12.329 -3.787 1.00 0.00 O ATOM 624 CB ASN A 42 -0.979 11.854 -3.980 1.00 0.00 C ATOM 625 CG ASN A 42 0.410 12.272 -3.540 1.00 0.00 C ATOM 626 OD1 ASN A 42 0.571 12.990 -2.553 1.00 0.00 O ATOM 627 ND2 ASN A 42 1.423 11.822 -4.272 1.00 0.00 N ATOM 0 H ASN A 42 -0.784 9.497 -2.100 1.00 0.00 H new ATOM 0 HA ASN A 42 -1.480 11.626 -1.902 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -0.899 11.167 -4.822 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -1.524 12.729 -4.334 1.00 0.00 H new ATOM 0 HD21 ASN A 42 2.381 12.069 -4.024 1.00 0.00 H new ATOM 0 HD22 ASN A 42 1.243 11.229 -5.082 1.00 0.00 H new ATOM 634 N GLY A 43 -4.083 10.597 -2.412 1.00 0.00 N ATOM 635 CA GLY A 43 -5.523 10.733 -2.536 1.00 0.00 C ATOM 636 C GLY A 43 -6.021 10.387 -3.925 1.00 0.00 C ATOM 637 O GLY A 43 -6.898 11.063 -4.464 1.00 0.00 O ATOM 0 H GLY A 43 -3.775 9.838 -1.804 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -6.010 10.085 -1.807 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -5.810 11.756 -2.295 1.00 0.00 H new ATOM 641 N LEU A 44 -5.460 9.333 -4.508 1.00 0.00 N ATOM 642 CA LEU A 44 -5.851 8.899 -5.844 1.00 0.00 C ATOM 643 C LEU A 44 -5.762 7.382 -5.972 1.00 0.00 C ATOM 644 O LEU A 44 -4.977 6.722 -5.291 1.00 0.00 O ATOM 645 CB LEU A 44 -4.963 9.564 -6.898 1.00 0.00 C ATOM 646 CG LEU A 44 -4.958 11.093 -6.904 1.00 0.00 C ATOM 647 CD1 LEU A 44 -3.805 11.620 -7.743 1.00 0.00 C ATOM 648 CD2 LEU A 44 -6.285 11.628 -7.422 1.00 0.00 C ATOM 0 H LEU A 44 -4.733 8.763 -4.076 1.00 0.00 H new ATOM 0 HA LEU A 44 -6.886 9.199 -6.008 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.940 9.218 -6.753 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -5.280 9.218 -7.882 1.00 0.00 H new ATOM 0 HG LEU A 44 -4.823 11.441 -5.880 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -3.818 12.710 -7.735 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.861 11.265 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -3.908 11.263 -8.768 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -6.264 12.718 -7.419 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -6.449 11.271 -8.439 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -7.094 11.279 -6.780 1.00 0.00 H new ATOM 660 N PRO A 45 -6.584 6.814 -6.867 1.00 0.00 N ATOM 661 CA PRO A 45 -6.615 5.368 -7.107 1.00 0.00 C ATOM 662 C PRO A 45 -5.353 4.869 -7.803 1.00 0.00 C ATOM 663 O PRO A 45 -5.149 5.115 -8.992 1.00 0.00 O ATOM 664 CB PRO A 45 -7.834 5.186 -8.015 1.00 0.00 C ATOM 665 CG PRO A 45 -7.996 6.499 -8.701 1.00 0.00 C ATOM 666 CD PRO A 45 -7.546 7.540 -7.714 1.00 0.00 C ATOM 0 HA PRO A 45 -6.670 4.801 -6.178 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -7.676 4.381 -8.733 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -8.722 4.929 -7.438 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -7.398 6.540 -9.611 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -9.033 6.661 -8.993 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -7.081 8.391 -8.212 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -8.381 7.929 -7.131 1.00 0.00 H new ATOM 674 N VAL A 46 -4.509 4.166 -7.055 1.00 0.00 N ATOM 675 CA VAL A 46 -3.268 3.630 -7.601 1.00 0.00 C ATOM 676 C VAL A 46 -3.537 2.741 -8.809 1.00 0.00 C ATOM 677 O VAL A 46 -4.316 1.792 -8.731 1.00 0.00 O ATOM 678 CB VAL A 46 -2.494 2.820 -6.544 1.00 0.00 C ATOM 679 CG1 VAL A 46 -1.194 2.286 -7.127 1.00 0.00 C ATOM 680 CG2 VAL A 46 -2.225 3.672 -5.312 1.00 0.00 C ATOM 0 H VAL A 46 -4.662 3.954 -6.069 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.664 4.483 -7.909 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.106 1.970 -6.243 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.661 1.716 -6.366 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.415 1.639 -7.976 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -0.574 3.119 -7.457 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -1.677 3.084 -4.575 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -1.633 4.543 -5.594 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.172 4.000 -4.883 1.00 0.00 H new ATOM 690 N GLN A 47 -2.887 3.056 -9.925 1.00 0.00 N ATOM 691 CA GLN A 47 -3.057 2.285 -11.151 1.00 0.00 C ATOM 692 C GLN A 47 -2.265 0.983 -11.089 1.00 0.00 C ATOM 693 O GLN A 47 -1.050 0.975 -11.288 1.00 0.00 O ATOM 694 CB GLN A 47 -2.615 3.108 -12.362 1.00 0.00 C ATOM 695 CG GLN A 47 -3.346 2.745 -13.644 1.00 0.00 C ATOM 696 CD GLN A 47 -3.238 3.824 -14.703 1.00 0.00 C ATOM 697 OE1 GLN A 47 -2.344 4.670 -14.655 1.00 0.00 O ATOM 698 NE2 GLN A 47 -4.149 3.800 -15.669 1.00 0.00 N ATOM 0 H GLN A 47 -2.238 3.839 -10.005 1.00 0.00 H new ATOM 0 HA GLN A 47 -4.114 2.041 -11.253 1.00 0.00 H new ATOM 0 HB2 GLN A 47 -2.774 4.165 -12.150 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -1.544 2.971 -12.513 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -2.940 1.813 -14.038 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -4.397 2.565 -13.420 1.00 0.00 H new ATOM 0 HE21 GLN A 47 -4.872 3.081 -15.670 1.00 0.00 H new ATOM 0 HE22 GLN A 47 -4.125 4.501 -16.410 1.00 0.00 H new ATOM 707 N GLU A 48 -2.961 -0.116 -10.813 1.00 0.00 N ATOM 708 CA GLU A 48 -2.321 -1.423 -10.725 1.00 0.00 C ATOM 709 C GLU A 48 -1.991 -1.962 -12.113 1.00 0.00 C ATOM 710 O GLU A 48 -2.847 -1.994 -12.998 1.00 0.00 O ATOM 711 CB GLU A 48 -3.225 -2.409 -9.983 1.00 0.00 C ATOM 712 CG GLU A 48 -3.313 -2.150 -8.489 1.00 0.00 C ATOM 713 CD GLU A 48 -4.440 -1.201 -8.127 1.00 0.00 C ATOM 714 OE1 GLU A 48 -5.452 -1.175 -8.857 1.00 0.00 O ATOM 715 OE2 GLU A 48 -4.309 -0.486 -7.112 1.00 0.00 O ATOM 0 H GLU A 48 -3.967 -0.127 -10.647 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.390 -1.307 -10.170 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -4.227 -2.363 -10.411 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.855 -3.421 -10.146 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.458 -3.096 -7.968 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -2.367 -1.735 -8.139 1.00 0.00 H new ATOM 722 N SER A 49 -0.745 -2.386 -12.297 1.00 0.00 N ATOM 723 CA SER A 49 -0.300 -2.920 -13.579 1.00 0.00 C ATOM 724 C SER A 49 0.634 -4.109 -13.377 1.00 0.00 C ATOM 725 O SER A 49 1.114 -4.355 -12.271 1.00 0.00 O ATOM 726 CB SER A 49 0.408 -1.833 -14.391 1.00 0.00 C ATOM 727 OG SER A 49 -0.493 -0.802 -14.757 1.00 0.00 O ATOM 0 H SER A 49 -0.025 -2.370 -11.574 1.00 0.00 H new ATOM 0 HA SER A 49 -1.179 -3.259 -14.128 1.00 0.00 H new ATOM 0 HB2 SER A 49 1.227 -1.414 -13.807 1.00 0.00 H new ATOM 0 HB3 SER A 49 0.847 -2.272 -15.287 1.00 0.00 H new ATOM 0 HG SER A 49 -0.016 -0.119 -15.273 1.00 0.00 H new ATOM 733 N ASP A 50 0.886 -4.845 -14.454 1.00 0.00 N ATOM 734 CA ASP A 50 1.763 -6.008 -14.398 1.00 0.00 C ATOM 735 C ASP A 50 2.913 -5.775 -13.422 1.00 0.00 C ATOM 736 O ASP A 50 3.376 -6.704 -12.760 1.00 0.00 O ATOM 737 CB ASP A 50 2.314 -6.327 -15.788 1.00 0.00 C ATOM 738 CG ASP A 50 1.307 -7.052 -16.659 1.00 0.00 C ATOM 739 OD1 ASP A 50 0.236 -6.471 -16.935 1.00 0.00 O ATOM 740 OD2 ASP A 50 1.588 -8.200 -17.062 1.00 0.00 O ATOM 0 H ASP A 50 0.495 -4.656 -15.377 1.00 0.00 H new ATOM 0 HA ASP A 50 1.177 -6.857 -14.046 1.00 0.00 H new ATOM 0 HB2 ASP A 50 2.613 -5.401 -16.278 1.00 0.00 H new ATOM 0 HB3 ASP A 50 3.211 -6.939 -15.688 1.00 0.00 H new ATOM 745 N ARG A 51 3.369 -4.530 -13.340 1.00 0.00 N ATOM 746 CA ARG A 51 4.465 -4.175 -12.447 1.00 0.00 C ATOM 747 C ARG A 51 3.979 -4.067 -11.005 1.00 0.00 C ATOM 748 O ARG A 51 4.539 -4.689 -10.101 1.00 0.00 O ATOM 749 CB ARG A 51 5.100 -2.854 -12.884 1.00 0.00 C ATOM 750 CG ARG A 51 6.079 -2.999 -14.037 1.00 0.00 C ATOM 751 CD ARG A 51 7.052 -1.832 -14.093 1.00 0.00 C ATOM 752 NE ARG A 51 6.455 -0.650 -14.708 1.00 0.00 N ATOM 753 CZ ARG A 51 6.341 -0.482 -16.021 1.00 0.00 C ATOM 754 NH1 ARG A 51 6.782 -1.416 -16.852 1.00 0.00 N ATOM 755 NH2 ARG A 51 5.786 0.621 -16.504 1.00 0.00 N ATOM 0 H ARG A 51 2.996 -3.750 -13.881 1.00 0.00 H new ATOM 0 HA ARG A 51 5.214 -4.965 -12.501 1.00 0.00 H new ATOM 0 HB2 ARG A 51 4.311 -2.160 -13.174 1.00 0.00 H new ATOM 0 HB3 ARG A 51 5.617 -2.411 -12.033 1.00 0.00 H new ATOM 0 HG2 ARG A 51 6.633 -3.931 -13.930 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.530 -3.061 -14.976 1.00 0.00 H new ATOM 0 HD2 ARG A 51 7.383 -1.587 -13.084 1.00 0.00 H new ATOM 0 HD3 ARG A 51 7.938 -2.125 -14.656 1.00 0.00 H new ATOM 0 HE ARG A 51 6.106 0.088 -14.096 1.00 0.00 H new ATOM 0 HH11 ARG A 51 7.210 -2.266 -16.484 1.00 0.00 H new ATOM 0 HH12 ARG A 51 6.694 -1.285 -17.860 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.446 1.342 -15.867 1.00 0.00 H new ATOM 0 HH22 ARG A 51 5.699 0.749 -17.512 1.00 0.00 H new ATOM 769 N LEU A 52 2.936 -3.272 -10.796 1.00 0.00 N ATOM 770 CA LEU A 52 2.374 -3.080 -9.464 1.00 0.00 C ATOM 771 C LEU A 52 1.201 -4.027 -9.226 1.00 0.00 C ATOM 772 O LEU A 52 0.116 -3.838 -9.776 1.00 0.00 O ATOM 773 CB LEU A 52 1.919 -1.631 -9.284 1.00 0.00 C ATOM 774 CG LEU A 52 1.642 -1.188 -7.847 1.00 0.00 C ATOM 775 CD1 LEU A 52 1.824 0.315 -7.707 1.00 0.00 C ATOM 776 CD2 LEU A 52 0.239 -1.599 -7.423 1.00 0.00 C ATOM 0 H LEU A 52 2.462 -2.749 -11.533 1.00 0.00 H new ATOM 0 HA LEU A 52 3.151 -3.303 -8.733 1.00 0.00 H new ATOM 0 HB2 LEU A 52 2.683 -0.977 -9.704 1.00 0.00 H new ATOM 0 HB3 LEU A 52 1.013 -1.480 -9.871 1.00 0.00 H new ATOM 0 HG LEU A 52 2.358 -1.683 -7.191 1.00 0.00 H new ATOM 0 HD11 LEU A 52 1.623 0.612 -6.678 1.00 0.00 H new ATOM 0 HD12 LEU A 52 2.848 0.583 -7.968 1.00 0.00 H new ATOM 0 HD13 LEU A 52 1.132 0.829 -8.375 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.059 -1.276 -6.398 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -0.492 -1.133 -8.084 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.144 -2.683 -7.483 1.00 0.00 H new ATOM 788 N LYS A 53 1.426 -5.044 -8.402 1.00 0.00 N ATOM 789 CA LYS A 53 0.389 -6.019 -8.088 1.00 0.00 C ATOM 790 C LYS A 53 0.092 -6.035 -6.592 1.00 0.00 C ATOM 791 O LYS A 53 1.005 -6.103 -5.769 1.00 0.00 O ATOM 792 CB LYS A 53 0.814 -7.415 -8.549 1.00 0.00 C ATOM 793 CG LYS A 53 -0.352 -8.316 -8.916 1.00 0.00 C ATOM 794 CD LYS A 53 -0.717 -8.184 -10.385 1.00 0.00 C ATOM 795 CE LYS A 53 -1.718 -9.249 -10.809 1.00 0.00 C ATOM 796 NZ LYS A 53 -1.158 -10.622 -10.673 1.00 0.00 N ATOM 0 H LYS A 53 2.319 -5.215 -7.939 1.00 0.00 H new ATOM 0 HA LYS A 53 -0.518 -5.729 -8.618 1.00 0.00 H new ATOM 0 HB2 LYS A 53 1.473 -7.318 -9.412 1.00 0.00 H new ATOM 0 HB3 LYS A 53 1.393 -7.889 -7.757 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -0.096 -9.352 -8.695 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -1.216 -8.063 -8.301 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -1.137 -7.195 -10.569 1.00 0.00 H new ATOM 0 HD3 LYS A 53 0.184 -8.267 -10.994 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -2.619 -9.163 -10.202 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -2.013 -9.078 -11.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -1.703 -11.280 -11.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -0.164 -10.623 -10.979 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.215 -10.923 -9.679 1.00 0.00 H new ATOM 810 N VAL A 54 -1.190 -5.974 -6.246 1.00 0.00 N ATOM 811 CA VAL A 54 -1.606 -5.984 -4.849 1.00 0.00 C ATOM 812 C VAL A 54 -1.974 -7.392 -4.395 1.00 0.00 C ATOM 813 O VAL A 54 -3.055 -7.893 -4.704 1.00 0.00 O ATOM 814 CB VAL A 54 -2.809 -5.050 -4.615 1.00 0.00 C ATOM 815 CG1 VAL A 54 -3.330 -5.196 -3.193 1.00 0.00 C ATOM 816 CG2 VAL A 54 -2.427 -3.607 -4.906 1.00 0.00 C ATOM 0 H VAL A 54 -1.958 -5.917 -6.914 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.759 -5.627 -4.264 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.607 -5.336 -5.300 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -4.179 -4.529 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.644 -6.226 -3.025 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -2.540 -4.938 -2.488 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -3.288 -2.961 -4.736 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.612 -3.306 -4.247 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -2.106 -3.518 -5.944 1.00 0.00 H new ATOM 826 N VAL A 55 -1.067 -8.027 -3.659 1.00 0.00 N ATOM 827 CA VAL A 55 -1.296 -9.378 -3.161 1.00 0.00 C ATOM 828 C VAL A 55 -1.857 -9.353 -1.743 1.00 0.00 C ATOM 829 O VAL A 55 -1.413 -8.569 -0.904 1.00 0.00 O ATOM 830 CB VAL A 55 0.001 -10.208 -3.174 1.00 0.00 C ATOM 831 CG1 VAL A 55 -0.246 -11.593 -2.595 1.00 0.00 C ATOM 832 CG2 VAL A 55 0.558 -10.303 -4.586 1.00 0.00 C ATOM 0 H VAL A 55 -0.167 -7.627 -3.395 1.00 0.00 H new ATOM 0 HA VAL A 55 -2.022 -9.843 -3.828 1.00 0.00 H new ATOM 0 HB VAL A 55 0.740 -9.706 -2.550 1.00 0.00 H new ATOM 0 HG11 VAL A 55 0.682 -12.165 -2.612 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -0.596 -11.500 -1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -1.001 -12.107 -3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 55 1.475 -10.893 -4.577 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -0.175 -10.782 -5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 55 0.774 -9.302 -4.960 1.00 0.00 H new ATOM 842 N GLN A 56 -2.834 -10.215 -1.484 1.00 0.00 N ATOM 843 CA GLN A 56 -3.455 -10.292 -0.167 1.00 0.00 C ATOM 844 C GLN A 56 -3.425 -11.720 0.367 1.00 0.00 C ATOM 845 O GLN A 56 -3.663 -12.676 -0.371 1.00 0.00 O ATOM 846 CB GLN A 56 -4.899 -9.789 -0.231 1.00 0.00 C ATOM 847 CG GLN A 56 -5.473 -9.413 1.125 1.00 0.00 C ATOM 848 CD GLN A 56 -6.929 -8.999 1.048 1.00 0.00 C ATOM 849 OE1 GLN A 56 -7.294 -8.109 0.280 1.00 0.00 O ATOM 850 NE2 GLN A 56 -7.771 -9.646 1.846 1.00 0.00 N ATOM 0 H GLN A 56 -3.213 -10.870 -2.168 1.00 0.00 H new ATOM 0 HA GLN A 56 -2.886 -9.658 0.513 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -4.944 -8.921 -0.888 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.524 -10.561 -0.679 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -5.376 -10.260 1.804 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -4.889 -8.596 1.549 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -7.425 -10.377 2.467 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -8.764 -9.411 1.838 1.00 0.00 H new ATOM 859 N LYS A 57 -3.129 -11.858 1.655 1.00 0.00 N ATOM 860 CA LYS A 57 -3.068 -13.169 2.290 1.00 0.00 C ATOM 861 C LYS A 57 -3.952 -13.213 3.533 1.00 0.00 C ATOM 862 O LYS A 57 -3.525 -12.839 4.624 1.00 0.00 O ATOM 863 CB LYS A 57 -1.624 -13.509 2.666 1.00 0.00 C ATOM 864 CG LYS A 57 -0.824 -14.110 1.524 1.00 0.00 C ATOM 865 CD LYS A 57 0.567 -14.526 1.975 1.00 0.00 C ATOM 866 CE LYS A 57 1.547 -13.365 1.903 1.00 0.00 C ATOM 867 NZ LYS A 57 2.620 -13.481 2.929 1.00 0.00 N ATOM 0 H LYS A 57 -2.927 -11.077 2.280 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.435 -13.908 1.578 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.125 -12.604 3.011 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -1.630 -14.209 3.502 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.352 -14.976 1.125 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.743 -13.385 0.714 1.00 0.00 H new ATOM 0 HD2 LYS A 57 0.522 -14.902 2.997 1.00 0.00 H new ATOM 0 HD3 LYS A 57 0.924 -15.344 1.349 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.996 -13.330 0.910 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.010 -12.427 2.044 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 3.267 -12.671 2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 2.194 -13.489 3.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 3.149 -14.364 2.780 1.00 0.00 H new ATOM 881 N GLY A 58 -5.186 -13.676 3.359 1.00 0.00 N ATOM 882 CA GLY A 58 -6.110 -13.762 4.475 1.00 0.00 C ATOM 883 C GLY A 58 -6.394 -12.410 5.099 1.00 0.00 C ATOM 884 O GLY A 58 -7.287 -11.689 4.653 1.00 0.00 O ATOM 0 H GLY A 58 -5.562 -13.993 2.466 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.046 -14.205 4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -5.699 -14.429 5.233 1.00 0.00 H new ATOM 888 N ARG A 59 -5.635 -12.066 6.133 1.00 0.00 N ATOM 889 CA ARG A 59 -5.812 -10.792 6.821 1.00 0.00 C ATOM 890 C ARG A 59 -4.549 -9.941 6.723 1.00 0.00 C ATOM 891 O ARG A 59 -4.165 -9.269 7.681 1.00 0.00 O ATOM 892 CB ARG A 59 -6.169 -11.026 8.290 1.00 0.00 C ATOM 893 CG ARG A 59 -7.444 -11.830 8.486 1.00 0.00 C ATOM 894 CD ARG A 59 -8.001 -11.656 9.890 1.00 0.00 C ATOM 895 NE ARG A 59 -7.257 -12.435 10.875 1.00 0.00 N ATOM 896 CZ ARG A 59 -7.348 -12.242 12.186 1.00 0.00 C ATOM 897 NH1 ARG A 59 -8.148 -11.301 12.667 1.00 0.00 N ATOM 898 NH2 ARG A 59 -6.638 -12.993 13.019 1.00 0.00 N ATOM 0 H ARG A 59 -4.891 -12.651 6.514 1.00 0.00 H new ATOM 0 HA ARG A 59 -6.629 -10.257 6.337 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -5.344 -11.545 8.778 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -6.277 -10.062 8.787 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -8.190 -11.516 7.756 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -7.242 -12.885 8.301 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -7.970 -10.601 10.164 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.048 -11.959 9.905 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.633 -13.168 10.538 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -8.696 -10.723 12.030 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -8.216 -11.155 13.674 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -6.022 -13.719 12.652 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -6.708 -12.844 14.026 1.00 0.00 H new ATOM 912 N ILE A 60 -3.907 -9.976 5.560 1.00 0.00 N ATOM 913 CA ILE A 60 -2.688 -9.208 5.337 1.00 0.00 C ATOM 914 C ILE A 60 -2.629 -8.673 3.910 1.00 0.00 C ATOM 915 O ILE A 60 -2.664 -9.439 2.946 1.00 0.00 O ATOM 916 CB ILE A 60 -1.431 -10.055 5.608 1.00 0.00 C ATOM 917 CG1 ILE A 60 -1.501 -10.678 7.004 1.00 0.00 C ATOM 918 CG2 ILE A 60 -0.178 -9.205 5.464 1.00 0.00 C ATOM 919 CD1 ILE A 60 -0.455 -11.744 7.243 1.00 0.00 C ATOM 0 H ILE A 60 -4.211 -10.528 4.758 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.710 -8.372 6.036 1.00 0.00 H new ATOM 0 HB ILE A 60 -1.387 -10.859 4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -1.384 -9.892 7.750 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -2.490 -11.112 7.150 1.00 0.00 H new ATOM 0 HG21 ILE A 60 0.702 -9.818 5.659 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -0.124 -8.804 4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.212 -8.382 6.178 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -0.564 -12.141 8.252 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -0.585 -12.549 6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 60 0.539 -11.311 7.129 1.00 0.00 H new ATOM 931 N HIS A 61 -2.536 -7.353 3.782 1.00 0.00 N ATOM 932 CA HIS A 61 -2.469 -6.715 2.472 1.00 0.00 C ATOM 933 C HIS A 61 -1.027 -6.377 2.106 1.00 0.00 C ATOM 934 O HIS A 61 -0.420 -5.481 2.693 1.00 0.00 O ATOM 935 CB HIS A 61 -3.323 -5.447 2.455 1.00 0.00 C ATOM 936 CG HIS A 61 -4.772 -5.696 2.739 1.00 0.00 C ATOM 937 ND1 HIS A 61 -5.749 -5.648 1.767 1.00 0.00 N ATOM 938 CD2 HIS A 61 -5.408 -5.999 3.895 1.00 0.00 C ATOM 939 CE1 HIS A 61 -6.923 -5.909 2.313 1.00 0.00 C ATOM 940 NE2 HIS A 61 -6.744 -6.126 3.603 1.00 0.00 N ATOM 0 H HIS A 61 -2.505 -6.705 4.569 1.00 0.00 H new ATOM 0 HA HIS A 61 -2.858 -7.416 1.733 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -2.932 -4.746 3.192 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -3.229 -4.969 1.480 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -4.950 -6.119 4.866 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -7.869 -5.940 1.793 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -7.479 -6.351 4.274 1.00 0.00 H new ATOM 949 N LYS A 62 -0.484 -7.100 1.133 1.00 0.00 N ATOM 950 CA LYS A 62 0.886 -6.877 0.687 1.00 0.00 C ATOM 951 C LYS A 62 0.911 -6.192 -0.675 1.00 0.00 C ATOM 952 O LYS A 62 0.180 -6.577 -1.589 1.00 0.00 O ATOM 953 CB LYS A 62 1.644 -8.205 0.616 1.00 0.00 C ATOM 954 CG LYS A 62 3.141 -8.042 0.419 1.00 0.00 C ATOM 955 CD LYS A 62 3.914 -9.188 1.050 1.00 0.00 C ATOM 956 CE LYS A 62 3.481 -10.531 0.483 1.00 0.00 C ATOM 957 NZ LYS A 62 4.582 -11.533 0.526 1.00 0.00 N ATOM 0 H LYS A 62 -0.972 -7.846 0.638 1.00 0.00 H new ATOM 0 HA LYS A 62 1.375 -6.225 1.411 1.00 0.00 H new ATOM 0 HB2 LYS A 62 1.466 -8.765 1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 62 1.241 -8.800 -0.203 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.366 -7.993 -0.647 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.466 -7.098 0.857 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.981 -9.046 0.879 1.00 0.00 H new ATOM 0 HD3 LYS A 62 3.761 -9.181 2.129 1.00 0.00 H new ATOM 0 HE2 LYS A 62 2.627 -10.905 1.048 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.149 -10.400 -0.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 4.247 -12.435 0.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.388 -11.188 -0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.882 -11.677 1.511 1.00 0.00 H new ATOM 971 N LEU A 63 1.756 -5.175 -0.806 1.00 0.00 N ATOM 972 CA LEU A 63 1.877 -4.437 -2.058 1.00 0.00 C ATOM 973 C LEU A 63 3.338 -4.135 -2.374 1.00 0.00 C ATOM 974 O LEU A 63 4.005 -3.405 -1.641 1.00 0.00 O ATOM 975 CB LEU A 63 1.080 -3.133 -1.984 1.00 0.00 C ATOM 976 CG LEU A 63 0.972 -2.337 -3.285 1.00 0.00 C ATOM 977 CD1 LEU A 63 -0.294 -1.496 -3.293 1.00 0.00 C ATOM 978 CD2 LEU A 63 2.200 -1.458 -3.475 1.00 0.00 C ATOM 0 H LEU A 63 2.367 -4.843 -0.060 1.00 0.00 H new ATOM 0 HA LEU A 63 1.473 -5.058 -2.857 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.072 -3.366 -1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.536 -2.494 -1.228 1.00 0.00 H new ATOM 0 HG LEU A 63 0.921 -3.041 -4.116 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -0.353 -0.937 -4.227 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.164 -2.147 -3.204 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -0.274 -0.800 -2.454 1.00 0.00 H new ATOM 0 HD21 LEU A 63 2.106 -0.899 -4.406 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.282 -0.762 -2.640 1.00 0.00 H new ATOM 0 HD23 LEU A 63 3.092 -2.083 -3.515 1.00 0.00 H new ATOM 990 N VAL A 64 3.831 -4.701 -3.471 1.00 0.00 N ATOM 991 CA VAL A 64 5.213 -4.490 -3.886 1.00 0.00 C ATOM 992 C VAL A 64 5.283 -3.952 -5.311 1.00 0.00 C ATOM 993 O VAL A 64 4.452 -4.291 -6.155 1.00 0.00 O ATOM 994 CB VAL A 64 6.029 -5.793 -3.801 1.00 0.00 C ATOM 995 CG1 VAL A 64 5.745 -6.517 -2.494 1.00 0.00 C ATOM 996 CG2 VAL A 64 5.728 -6.689 -4.993 1.00 0.00 C ATOM 0 H VAL A 64 3.294 -5.309 -4.089 1.00 0.00 H new ATOM 0 HA VAL A 64 5.640 -3.757 -3.202 1.00 0.00 H new ATOM 0 HB VAL A 64 7.089 -5.539 -3.825 1.00 0.00 H new ATOM 0 HG11 VAL A 64 6.331 -7.435 -2.452 1.00 0.00 H new ATOM 0 HG12 VAL A 64 6.016 -5.875 -1.656 1.00 0.00 H new ATOM 0 HG13 VAL A 64 4.684 -6.760 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 64 6.313 -7.605 -4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 64 4.666 -6.936 -5.003 1.00 0.00 H new ATOM 0 HG23 VAL A 64 5.988 -6.168 -5.915 1.00 0.00 H new ATOM 1006 N ILE A 65 6.279 -3.112 -5.572 1.00 0.00 N ATOM 1007 CA ILE A 65 6.458 -2.528 -6.895 1.00 0.00 C ATOM 1008 C ILE A 65 7.698 -3.090 -7.580 1.00 0.00 C ATOM 1009 O ILE A 65 8.709 -3.360 -6.933 1.00 0.00 O ATOM 1010 CB ILE A 65 6.576 -0.994 -6.822 1.00 0.00 C ATOM 1011 CG1 ILE A 65 5.449 -0.414 -5.965 1.00 0.00 C ATOM 1012 CG2 ILE A 65 6.549 -0.393 -8.219 1.00 0.00 C ATOM 1013 CD1 ILE A 65 5.596 1.067 -5.696 1.00 0.00 C ATOM 0 H ILE A 65 6.974 -2.821 -4.885 1.00 0.00 H new ATOM 0 HA ILE A 65 5.574 -2.789 -7.477 1.00 0.00 H new ATOM 0 HB ILE A 65 7.528 -0.740 -6.357 1.00 0.00 H new ATOM 0 HG12 ILE A 65 4.496 -0.592 -6.463 1.00 0.00 H new ATOM 0 HG13 ILE A 65 5.416 -0.946 -5.014 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.633 0.692 -8.150 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.383 -0.786 -8.800 1.00 0.00 H new ATOM 0 HG23 ILE A 65 5.611 -0.654 -8.709 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.762 1.410 -5.083 1.00 0.00 H new ATOM 0 HD12 ILE A 65 6.533 1.250 -5.170 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.599 1.610 -6.641 1.00 0.00 H new ATOM 1025 N ALA A 66 7.614 -3.263 -8.895 1.00 0.00 N ATOM 1026 CA ALA A 66 8.731 -3.790 -9.670 1.00 0.00 C ATOM 1027 C ALA A 66 9.957 -2.892 -9.545 1.00 0.00 C ATOM 1028 O ALA A 66 11.028 -3.341 -9.139 1.00 0.00 O ATOM 1029 CB ALA A 66 8.334 -3.944 -11.131 1.00 0.00 C ATOM 0 H ALA A 66 6.784 -3.046 -9.446 1.00 0.00 H new ATOM 0 HA ALA A 66 8.988 -4.771 -9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.178 -4.338 -11.698 1.00 0.00 H new ATOM 0 HB2 ALA A 66 7.492 -4.631 -11.209 1.00 0.00 H new ATOM 0 HB3 ALA A 66 8.048 -2.973 -11.535 1.00 0.00 H new ATOM 1035 N ASN A 67 9.793 -1.621 -9.898 1.00 0.00 N ATOM 1036 CA ASN A 67 10.888 -0.660 -9.826 1.00 0.00 C ATOM 1037 C ASN A 67 10.467 0.587 -9.054 1.00 0.00 C ATOM 1038 O ASN A 67 9.529 1.283 -9.441 1.00 0.00 O ATOM 1039 CB ASN A 67 11.346 -0.272 -11.233 1.00 0.00 C ATOM 1040 CG ASN A 67 11.625 -1.481 -12.104 1.00 0.00 C ATOM 1041 OD1 ASN A 67 10.760 -2.337 -12.293 1.00 0.00 O ATOM 1042 ND2 ASN A 67 12.837 -1.557 -12.641 1.00 0.00 N ATOM 0 H ASN A 67 8.913 -1.233 -10.237 1.00 0.00 H new ATOM 0 HA ASN A 67 11.717 -1.130 -9.298 1.00 0.00 H new ATOM 0 HB2 ASN A 67 10.580 0.343 -11.705 1.00 0.00 H new ATOM 0 HB3 ASN A 67 12.247 0.338 -11.164 1.00 0.00 H new ATOM 0 HD21 ASN A 67 13.082 -2.348 -13.237 1.00 0.00 H new ATOM 0 HD22 ASN A 67 13.523 -0.825 -12.458 1.00 0.00 H new ATOM 1049 N ALA A 68 11.169 0.863 -7.959 1.00 0.00 N ATOM 1050 CA ALA A 68 10.871 2.027 -7.134 1.00 0.00 C ATOM 1051 C ALA A 68 11.273 3.317 -7.839 1.00 0.00 C ATOM 1052 O ALA A 68 12.452 3.672 -7.881 1.00 0.00 O ATOM 1053 CB ALA A 68 11.576 1.915 -5.790 1.00 0.00 C ATOM 0 H ALA A 68 11.948 0.296 -7.623 1.00 0.00 H new ATOM 0 HA ALA A 68 9.794 2.057 -6.966 1.00 0.00 H new ATOM 0 HB1 ALA A 68 11.345 2.791 -5.184 1.00 0.00 H new ATOM 0 HB2 ALA A 68 11.236 1.017 -5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 68 12.653 1.857 -5.948 1.00 0.00 H new ATOM 1059 N LEU A 69 10.288 4.015 -8.393 1.00 0.00 N ATOM 1060 CA LEU A 69 10.540 5.267 -9.098 1.00 0.00 C ATOM 1061 C LEU A 69 10.313 6.464 -8.180 1.00 0.00 C ATOM 1062 O LEU A 69 9.660 6.350 -7.142 1.00 0.00 O ATOM 1063 CB LEU A 69 9.636 5.374 -10.327 1.00 0.00 C ATOM 1064 CG LEU A 69 9.799 4.274 -11.378 1.00 0.00 C ATOM 1065 CD1 LEU A 69 8.584 4.225 -12.291 1.00 0.00 C ATOM 1066 CD2 LEU A 69 11.068 4.494 -12.187 1.00 0.00 C ATOM 0 H LEU A 69 9.307 3.735 -8.368 1.00 0.00 H new ATOM 0 HA LEU A 69 11.582 5.271 -9.419 1.00 0.00 H new ATOM 0 HB2 LEU A 69 8.599 5.377 -9.991 1.00 0.00 H new ATOM 0 HB3 LEU A 69 9.819 6.336 -10.805 1.00 0.00 H new ATOM 0 HG LEU A 69 9.881 3.316 -10.865 1.00 0.00 H new ATOM 0 HD11 LEU A 69 8.717 3.437 -13.032 1.00 0.00 H new ATOM 0 HD12 LEU A 69 7.692 4.019 -11.699 1.00 0.00 H new ATOM 0 HD13 LEU A 69 8.470 5.184 -12.797 1.00 0.00 H new ATOM 0 HD21 LEU A 69 11.168 3.702 -12.930 1.00 0.00 H new ATOM 0 HD22 LEU A 69 11.016 5.459 -12.690 1.00 0.00 H new ATOM 0 HD23 LEU A 69 11.931 4.478 -11.521 1.00 0.00 H new ATOM 1078 N THR A 70 10.854 7.614 -8.570 1.00 0.00 N ATOM 1079 CA THR A 70 10.710 8.833 -7.784 1.00 0.00 C ATOM 1080 C THR A 70 9.266 9.322 -7.788 1.00 0.00 C ATOM 1081 O THR A 70 8.906 10.227 -7.036 1.00 0.00 O ATOM 1082 CB THR A 70 11.621 9.955 -8.315 1.00 0.00 C ATOM 1083 OG1 THR A 70 12.923 9.433 -8.604 1.00 0.00 O ATOM 1084 CG2 THR A 70 11.735 11.084 -7.301 1.00 0.00 C ATOM 0 H THR A 70 11.396 7.727 -9.426 1.00 0.00 H new ATOM 0 HA THR A 70 11.005 8.588 -6.764 1.00 0.00 H new ATOM 0 HB THR A 70 11.178 10.352 -9.229 1.00 0.00 H new ATOM 0 HG1 THR A 70 13.496 10.152 -8.943 1.00 0.00 H new ATOM 0 HG21 THR A 70 12.383 11.865 -7.698 1.00 0.00 H new ATOM 0 HG22 THR A 70 10.746 11.498 -7.105 1.00 0.00 H new ATOM 0 HG23 THR A 70 12.157 10.698 -6.373 1.00 0.00 H new ATOM 1092 N GLU A 71 8.443 8.717 -8.639 1.00 0.00 N ATOM 1093 CA GLU A 71 7.038 9.092 -8.739 1.00 0.00 C ATOM 1094 C GLU A 71 6.206 8.378 -7.677 1.00 0.00 C ATOM 1095 O GLU A 71 5.111 8.820 -7.331 1.00 0.00 O ATOM 1096 CB GLU A 71 6.497 8.763 -10.132 1.00 0.00 C ATOM 1097 CG GLU A 71 6.845 7.361 -10.605 1.00 0.00 C ATOM 1098 CD GLU A 71 6.003 6.917 -11.785 1.00 0.00 C ATOM 1099 OE1 GLU A 71 4.909 6.360 -11.556 1.00 0.00 O ATOM 1100 OE2 GLU A 71 6.438 7.126 -12.937 1.00 0.00 O ATOM 0 H GLU A 71 8.725 7.966 -9.269 1.00 0.00 H new ATOM 0 HA GLU A 71 6.963 10.167 -8.572 1.00 0.00 H new ATOM 0 HB2 GLU A 71 5.413 8.877 -10.128 1.00 0.00 H new ATOM 0 HB3 GLU A 71 6.891 9.486 -10.846 1.00 0.00 H new ATOM 0 HG2 GLU A 71 7.899 7.326 -10.882 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.708 6.660 -9.782 1.00 0.00 H new ATOM 1107 N ASP A 72 6.735 7.272 -7.165 1.00 0.00 N ATOM 1108 CA ASP A 72 6.044 6.497 -6.142 1.00 0.00 C ATOM 1109 C ASP A 72 6.134 7.185 -4.784 1.00 0.00 C ATOM 1110 O ASP A 72 5.322 6.933 -3.895 1.00 0.00 O ATOM 1111 CB ASP A 72 6.633 5.088 -6.055 1.00 0.00 C ATOM 1112 CG ASP A 72 6.187 4.201 -7.200 1.00 0.00 C ATOM 1113 OD1 ASP A 72 5.081 4.430 -7.733 1.00 0.00 O ATOM 1114 OD2 ASP A 72 6.945 3.278 -7.565 1.00 0.00 O ATOM 0 H ASP A 72 7.640 6.892 -7.442 1.00 0.00 H new ATOM 0 HA ASP A 72 4.993 6.426 -6.423 1.00 0.00 H new ATOM 0 HB2 ASP A 72 7.721 5.152 -6.052 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.338 4.632 -5.110 1.00 0.00 H new ATOM 1119 N GLU A 73 7.129 8.054 -4.632 1.00 0.00 N ATOM 1120 CA GLU A 73 7.326 8.777 -3.381 1.00 0.00 C ATOM 1121 C GLU A 73 6.238 9.828 -3.183 1.00 0.00 C ATOM 1122 O GLU A 73 5.999 10.662 -4.056 1.00 0.00 O ATOM 1123 CB GLU A 73 8.704 9.442 -3.362 1.00 0.00 C ATOM 1124 CG GLU A 73 9.253 9.665 -1.963 1.00 0.00 C ATOM 1125 CD GLU A 73 10.225 10.827 -1.896 1.00 0.00 C ATOM 1126 OE1 GLU A 73 9.844 11.944 -2.306 1.00 0.00 O ATOM 1127 OE2 GLU A 73 11.366 10.620 -1.434 1.00 0.00 O ATOM 0 H GLU A 73 7.810 8.274 -5.359 1.00 0.00 H new ATOM 0 HA GLU A 73 7.266 8.059 -2.563 1.00 0.00 H new ATOM 0 HB2 GLU A 73 9.404 8.824 -3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 73 8.642 10.401 -3.876 1.00 0.00 H new ATOM 0 HG2 GLU A 73 8.426 9.848 -1.277 1.00 0.00 H new ATOM 0 HG3 GLU A 73 9.753 8.758 -1.624 1.00 0.00 H new ATOM 1134 N GLY A 74 5.581 9.782 -2.028 1.00 0.00 N ATOM 1135 CA GLY A 74 4.526 10.734 -1.736 1.00 0.00 C ATOM 1136 C GLY A 74 3.777 10.397 -0.462 1.00 0.00 C ATOM 1137 O GLY A 74 4.264 10.655 0.639 1.00 0.00 O ATOM 0 H GLY A 74 5.761 9.102 -1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 74 4.956 11.732 -1.648 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.824 10.761 -2.570 1.00 0.00 H new ATOM 1141 N ASP A 75 2.590 9.821 -0.611 1.00 0.00 N ATOM 1142 CA ASP A 75 1.771 9.448 0.537 1.00 0.00 C ATOM 1143 C ASP A 75 0.871 8.263 0.202 1.00 0.00 C ATOM 1144 O ASP A 75 -0.109 8.402 -0.530 1.00 0.00 O ATOM 1145 CB ASP A 75 0.922 10.636 0.992 1.00 0.00 C ATOM 1146 CG ASP A 75 0.103 10.322 2.229 1.00 0.00 C ATOM 1147 OD1 ASP A 75 -1.034 9.830 2.078 1.00 0.00 O ATOM 1148 OD2 ASP A 75 0.599 10.570 3.348 1.00 0.00 O ATOM 0 H ASP A 75 2.173 9.602 -1.516 1.00 0.00 H new ATOM 0 HA ASP A 75 2.438 9.156 1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 75 1.572 11.486 1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.254 10.933 0.183 1.00 0.00 H new ATOM 1153 N TYR A 76 1.212 7.097 0.739 1.00 0.00 N ATOM 1154 CA TYR A 76 0.438 5.886 0.494 1.00 0.00 C ATOM 1155 C TYR A 76 -0.664 5.724 1.537 1.00 0.00 C ATOM 1156 O TYR A 76 -0.419 5.834 2.738 1.00 0.00 O ATOM 1157 CB TYR A 76 1.352 4.660 0.506 1.00 0.00 C ATOM 1158 CG TYR A 76 2.107 4.455 -0.788 1.00 0.00 C ATOM 1159 CD1 TYR A 76 1.500 3.849 -1.881 1.00 0.00 C ATOM 1160 CD2 TYR A 76 3.427 4.867 -0.917 1.00 0.00 C ATOM 1161 CE1 TYR A 76 2.186 3.659 -3.064 1.00 0.00 C ATOM 1162 CE2 TYR A 76 4.121 4.683 -2.097 1.00 0.00 C ATOM 1163 CZ TYR A 76 3.496 4.078 -3.168 1.00 0.00 C ATOM 1164 OH TYR A 76 4.183 3.892 -4.346 1.00 0.00 O ATOM 0 H TYR A 76 2.020 6.965 1.347 1.00 0.00 H new ATOM 0 HA TYR A 76 -0.026 5.974 -0.488 1.00 0.00 H new ATOM 0 HB2 TYR A 76 2.067 4.758 1.323 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.753 3.773 0.712 1.00 0.00 H new ATOM 0 HD1 TYR A 76 0.474 3.521 -1.804 1.00 0.00 H new ATOM 0 HD2 TYR A 76 3.919 5.340 -0.080 1.00 0.00 H new ATOM 0 HE1 TYR A 76 1.699 3.185 -3.904 1.00 0.00 H new ATOM 0 HE2 TYR A 76 5.147 5.011 -2.181 1.00 0.00 H new ATOM 0 HH TYR A 76 4.192 4.729 -4.855 1.00 0.00 H new ATOM 1174 N VAL A 77 -1.880 5.460 1.068 1.00 0.00 N ATOM 1175 CA VAL A 77 -3.020 5.280 1.958 1.00 0.00 C ATOM 1176 C VAL A 77 -3.837 4.055 1.564 1.00 0.00 C ATOM 1177 O VAL A 77 -4.130 3.843 0.387 1.00 0.00 O ATOM 1178 CB VAL A 77 -3.937 6.518 1.953 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.168 6.275 2.812 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -3.177 7.746 2.431 1.00 0.00 C ATOM 0 H VAL A 77 -2.100 5.366 0.076 1.00 0.00 H new ATOM 0 HA VAL A 77 -2.619 5.138 2.961 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.268 6.699 0.930 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.803 7.160 2.796 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.723 5.423 2.420 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -4.861 6.067 3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -3.840 8.611 2.421 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -2.815 7.578 3.445 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -2.330 7.930 1.770 1.00 0.00 H new ATOM 1190 N PHE A 78 -4.203 3.250 2.557 1.00 0.00 N ATOM 1191 CA PHE A 78 -4.986 2.044 2.314 1.00 0.00 C ATOM 1192 C PHE A 78 -6.350 2.136 2.992 1.00 0.00 C ATOM 1193 O PHE A 78 -6.485 2.732 4.060 1.00 0.00 O ATOM 1194 CB PHE A 78 -4.234 0.812 2.821 1.00 0.00 C ATOM 1195 CG PHE A 78 -5.104 -0.404 2.965 1.00 0.00 C ATOM 1196 CD1 PHE A 78 -5.902 -0.572 4.086 1.00 0.00 C ATOM 1197 CD2 PHE A 78 -5.124 -1.379 1.981 1.00 0.00 C ATOM 1198 CE1 PHE A 78 -6.704 -1.689 4.222 1.00 0.00 C ATOM 1199 CE2 PHE A 78 -5.924 -2.498 2.111 1.00 0.00 C ATOM 1200 CZ PHE A 78 -6.714 -2.654 3.234 1.00 0.00 C ATOM 0 H PHE A 78 -3.970 3.411 3.537 1.00 0.00 H new ATOM 0 HA PHE A 78 -5.140 1.950 1.239 1.00 0.00 H new ATOM 0 HB2 PHE A 78 -3.418 0.586 2.134 1.00 0.00 H new ATOM 0 HB3 PHE A 78 -3.783 1.043 3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 78 -5.897 0.179 4.862 1.00 0.00 H new ATOM 0 HD2 PHE A 78 -4.507 -1.263 1.102 1.00 0.00 H new ATOM 0 HE1 PHE A 78 -7.322 -1.807 5.100 1.00 0.00 H new ATOM 0 HE2 PHE A 78 -5.932 -3.250 1.336 1.00 0.00 H new ATOM 0 HZ PHE A 78 -7.338 -3.529 3.339 1.00 0.00 H new ATOM 1210 N ALA A 79 -7.358 1.542 2.362 1.00 0.00 N ATOM 1211 CA ALA A 79 -8.711 1.555 2.905 1.00 0.00 C ATOM 1212 C ALA A 79 -9.526 0.380 2.375 1.00 0.00 C ATOM 1213 O ALA A 79 -9.509 0.068 1.184 1.00 0.00 O ATOM 1214 CB ALA A 79 -9.400 2.870 2.572 1.00 0.00 C ATOM 0 H ALA A 79 -7.264 1.046 1.476 1.00 0.00 H new ATOM 0 HA ALA A 79 -8.643 1.457 3.988 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.409 2.866 2.983 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -8.835 3.696 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.450 2.991 1.490 1.00 0.00 H new ATOM 1220 N PRO A 80 -10.256 -0.290 3.279 1.00 0.00 N ATOM 1221 CA PRO A 80 -11.091 -1.441 2.925 1.00 0.00 C ATOM 1222 C PRO A 80 -12.306 -1.044 2.094 1.00 0.00 C ATOM 1223 O PRO A 80 -12.791 0.084 2.187 1.00 0.00 O ATOM 1224 CB PRO A 80 -11.531 -1.991 4.285 1.00 0.00 C ATOM 1225 CG PRO A 80 -11.464 -0.822 5.206 1.00 0.00 C ATOM 1226 CD PRO A 80 -10.324 0.027 4.716 1.00 0.00 C ATOM 0 HA PRO A 80 -10.551 -2.162 2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -12.540 -2.401 4.239 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -10.875 -2.795 4.618 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -12.400 -0.263 5.195 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -11.297 -1.144 6.234 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -10.511 1.087 4.885 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -9.392 -0.218 5.226 1.00 0.00 H new ATOM 1234 N ASP A 81 -12.792 -1.976 1.282 1.00 0.00 N ATOM 1235 CA ASP A 81 -13.952 -1.723 0.434 1.00 0.00 C ATOM 1236 C ASP A 81 -15.248 -1.922 1.213 1.00 0.00 C ATOM 1237 O ASP A 81 -16.335 -1.937 0.636 1.00 0.00 O ATOM 1238 CB ASP A 81 -13.929 -2.644 -0.786 1.00 0.00 C ATOM 1239 CG ASP A 81 -13.123 -2.065 -1.933 1.00 0.00 C ATOM 1240 OD1 ASP A 81 -12.030 -1.520 -1.673 1.00 0.00 O ATOM 1241 OD2 ASP A 81 -13.585 -2.157 -3.090 1.00 0.00 O ATOM 0 H ASP A 81 -12.401 -2.914 1.193 1.00 0.00 H new ATOM 0 HA ASP A 81 -13.907 -0.687 0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.509 -3.609 -0.501 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.951 -2.827 -1.119 1.00 0.00 H new ATOM 1246 N ALA A 82 -15.125 -2.076 2.528 1.00 0.00 N ATOM 1247 CA ALA A 82 -16.286 -2.274 3.386 1.00 0.00 C ATOM 1248 C ALA A 82 -16.426 -1.136 4.391 1.00 0.00 C ATOM 1249 O ALA A 82 -17.537 -0.765 4.773 1.00 0.00 O ATOM 1250 CB ALA A 82 -16.188 -3.609 4.108 1.00 0.00 C ATOM 0 H ALA A 82 -14.232 -2.067 3.022 1.00 0.00 H new ATOM 0 HA ALA A 82 -17.175 -2.279 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -17.062 -3.743 4.745 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -16.145 -4.416 3.377 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -15.287 -3.626 4.720 1.00 0.00 H new ATOM 1256 N TYR A 83 -15.295 -0.586 4.817 1.00 0.00 N ATOM 1257 CA TYR A 83 -15.291 0.508 5.781 1.00 0.00 C ATOM 1258 C TYR A 83 -14.607 1.742 5.201 1.00 0.00 C ATOM 1259 O TYR A 83 -14.086 1.711 4.088 1.00 0.00 O ATOM 1260 CB TYR A 83 -14.588 0.078 7.069 1.00 0.00 C ATOM 1261 CG TYR A 83 -14.835 -1.366 7.441 1.00 0.00 C ATOM 1262 CD1 TYR A 83 -15.984 -1.741 8.126 1.00 0.00 C ATOM 1263 CD2 TYR A 83 -13.919 -2.356 7.107 1.00 0.00 C ATOM 1264 CE1 TYR A 83 -16.213 -3.059 8.469 1.00 0.00 C ATOM 1265 CE2 TYR A 83 -14.141 -3.678 7.445 1.00 0.00 C ATOM 1266 CZ TYR A 83 -15.289 -4.024 8.126 1.00 0.00 C ATOM 1267 OH TYR A 83 -15.514 -5.339 8.464 1.00 0.00 O ATOM 0 H TYR A 83 -14.368 -0.880 4.510 1.00 0.00 H new ATOM 0 HA TYR A 83 -16.326 0.762 6.009 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -13.515 0.237 6.958 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -14.922 0.717 7.886 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -16.711 -0.989 8.395 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -13.018 -2.088 6.574 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -17.111 -3.333 9.003 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -13.419 -4.436 7.177 1.00 0.00 H new ATOM 0 HH TYR A 83 -14.768 -5.890 8.148 1.00 0.00 H new ATOM 1277 N ASN A 84 -14.613 2.828 5.968 1.00 0.00 N ATOM 1278 CA ASN A 84 -13.993 4.075 5.532 1.00 0.00 C ATOM 1279 C ASN A 84 -12.738 4.371 6.346 1.00 0.00 C ATOM 1280 O ASN A 84 -12.566 5.476 6.862 1.00 0.00 O ATOM 1281 CB ASN A 84 -14.984 5.233 5.661 1.00 0.00 C ATOM 1282 CG ASN A 84 -14.643 6.390 4.740 1.00 0.00 C ATOM 1283 OD1 ASN A 84 -13.567 6.428 4.145 1.00 0.00 O ATOM 1284 ND2 ASN A 84 -15.562 7.341 4.621 1.00 0.00 N ATOM 0 H ASN A 84 -15.040 2.870 6.893 1.00 0.00 H new ATOM 0 HA ASN A 84 -13.708 3.965 4.486 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -15.988 4.875 5.434 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -14.996 5.584 6.693 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -15.389 8.144 4.017 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -16.441 7.268 5.134 1.00 0.00 H new ATOM 1291 N VAL A 85 -11.862 3.377 6.456 1.00 0.00 N ATOM 1292 CA VAL A 85 -10.620 3.532 7.205 1.00 0.00 C ATOM 1293 C VAL A 85 -9.460 3.882 6.281 1.00 0.00 C ATOM 1294 O VAL A 85 -9.356 3.359 5.171 1.00 0.00 O ATOM 1295 CB VAL A 85 -10.273 2.250 7.985 1.00 0.00 C ATOM 1296 CG1 VAL A 85 -9.093 2.493 8.914 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -11.482 1.756 8.764 1.00 0.00 C ATOM 0 H VAL A 85 -11.989 2.456 6.036 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.775 4.348 7.911 1.00 0.00 H new ATOM 0 HB VAL A 85 -9.990 1.477 7.271 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -8.862 1.576 9.457 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.225 2.796 8.328 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -9.345 3.281 9.624 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.218 0.850 9.309 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.799 2.524 9.469 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.297 1.540 8.073 1.00 0.00 H new ATOM 1307 N THR A 86 -8.587 4.770 6.746 1.00 0.00 N ATOM 1308 CA THR A 86 -7.433 5.191 5.961 1.00 0.00 C ATOM 1309 C THR A 86 -6.141 5.035 6.755 1.00 0.00 C ATOM 1310 O THR A 86 -6.023 5.541 7.872 1.00 0.00 O ATOM 1311 CB THR A 86 -7.569 6.656 5.505 1.00 0.00 C ATOM 1312 OG1 THR A 86 -7.736 7.510 6.642 1.00 0.00 O ATOM 1313 CG2 THR A 86 -8.751 6.822 4.562 1.00 0.00 C ATOM 0 H THR A 86 -8.657 5.212 7.663 1.00 0.00 H new ATOM 0 HA THR A 86 -7.396 4.547 5.083 1.00 0.00 H new ATOM 0 HB THR A 86 -6.659 6.933 4.974 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.199 7.170 7.388 1.00 0.00 H new ATOM 0 HG21 THR A 86 -8.827 7.865 4.254 1.00 0.00 H new ATOM 0 HG22 THR A 86 -8.607 6.193 3.683 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.668 6.527 5.072 1.00 0.00 H new ATOM 1321 N LEU A 87 -5.176 4.333 6.173 1.00 0.00 N ATOM 1322 CA LEU A 87 -3.890 4.112 6.827 1.00 0.00 C ATOM 1323 C LEU A 87 -2.788 4.918 6.148 1.00 0.00 C ATOM 1324 O LEU A 87 -2.301 4.567 5.073 1.00 0.00 O ATOM 1325 CB LEU A 87 -3.536 2.624 6.808 1.00 0.00 C ATOM 1326 CG LEU A 87 -4.271 1.745 7.820 1.00 0.00 C ATOM 1327 CD1 LEU A 87 -5.686 1.453 7.346 1.00 0.00 C ATOM 1328 CD2 LEU A 87 -3.508 0.450 8.056 1.00 0.00 C ATOM 0 H LEU A 87 -5.259 3.907 5.250 1.00 0.00 H new ATOM 0 HA LEU A 87 -3.973 4.446 7.861 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.735 2.237 5.809 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -2.464 2.524 6.981 1.00 0.00 H new ATOM 0 HG LEU A 87 -4.331 2.285 8.765 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -6.193 0.826 8.079 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.231 2.390 7.230 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -5.649 0.934 6.388 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -4.046 -0.163 8.779 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -3.416 -0.094 7.116 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.515 0.678 8.442 1.00 0.00 H new ATOM 1340 N PRO A 88 -2.382 6.024 6.790 1.00 0.00 N ATOM 1341 CA PRO A 88 -1.331 6.901 6.268 1.00 0.00 C ATOM 1342 C PRO A 88 0.047 6.249 6.318 1.00 0.00 C ATOM 1343 O PRO A 88 0.368 5.526 7.260 1.00 0.00 O ATOM 1344 CB PRO A 88 -1.383 8.113 7.202 1.00 0.00 C ATOM 1345 CG PRO A 88 -1.955 7.586 8.473 1.00 0.00 C ATOM 1346 CD PRO A 88 -2.919 6.502 8.075 1.00 0.00 C ATOM 0 HA PRO A 88 -1.491 7.147 5.218 1.00 0.00 H new ATOM 0 HB2 PRO A 88 -0.390 8.535 7.359 1.00 0.00 H new ATOM 0 HB3 PRO A 88 -2.004 8.907 6.787 1.00 0.00 H new ATOM 0 HG2 PRO A 88 -1.171 7.193 9.120 1.00 0.00 H new ATOM 0 HG3 PRO A 88 -2.462 8.374 9.029 1.00 0.00 H new ATOM 0 HD2 PRO A 88 -2.956 5.704 8.817 1.00 0.00 H new ATOM 0 HD3 PRO A 88 -3.934 6.886 7.969 1.00 0.00 H new ATOM 1354 N ALA A 89 0.857 6.509 5.297 1.00 0.00 N ATOM 1355 CA ALA A 89 2.201 5.949 5.226 1.00 0.00 C ATOM 1356 C ALA A 89 3.161 6.911 4.536 1.00 0.00 C ATOM 1357 O ALA A 89 2.772 7.654 3.635 1.00 0.00 O ATOM 1358 CB ALA A 89 2.178 4.612 4.500 1.00 0.00 C ATOM 0 H ALA A 89 0.606 7.104 4.508 1.00 0.00 H new ATOM 0 HA ALA A 89 2.556 5.791 6.244 1.00 0.00 H new ATOM 0 HB1 ALA A 89 3.188 4.205 4.454 1.00 0.00 H new ATOM 0 HB2 ALA A 89 1.531 3.918 5.037 1.00 0.00 H new ATOM 0 HB3 ALA A 89 1.798 4.754 3.488 1.00 0.00 H new ATOM 1364 N LYS A 90 4.419 6.895 4.966 1.00 0.00 N ATOM 1365 CA LYS A 90 5.436 7.766 4.390 1.00 0.00 C ATOM 1366 C LYS A 90 6.523 6.949 3.699 1.00 0.00 C ATOM 1367 O LYS A 90 7.001 5.951 4.237 1.00 0.00 O ATOM 1368 CB LYS A 90 6.058 8.646 5.477 1.00 0.00 C ATOM 1369 CG LYS A 90 5.323 9.957 5.693 1.00 0.00 C ATOM 1370 CD LYS A 90 6.163 10.943 6.486 1.00 0.00 C ATOM 1371 CE LYS A 90 6.257 10.544 7.951 1.00 0.00 C ATOM 1372 NZ LYS A 90 4.959 10.724 8.659 1.00 0.00 N ATOM 0 H LYS A 90 4.758 6.288 5.712 1.00 0.00 H new ATOM 0 HA LYS A 90 4.956 8.402 3.647 1.00 0.00 H new ATOM 0 HB2 LYS A 90 6.077 8.091 6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 90 7.093 8.859 5.212 1.00 0.00 H new ATOM 0 HG2 LYS A 90 5.063 10.393 4.728 1.00 0.00 H new ATOM 0 HG3 LYS A 90 4.388 9.768 6.220 1.00 0.00 H new ATOM 0 HD2 LYS A 90 7.164 10.997 6.058 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.728 11.939 6.406 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.569 9.502 8.024 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.025 11.142 8.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 5.114 10.673 9.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 4.556 11.651 8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 4.299 9.973 8.371 1.00 0.00 H new ATOM 1386 N VAL A 91 6.910 7.381 2.502 1.00 0.00 N ATOM 1387 CA VAL A 91 7.943 6.691 1.738 1.00 0.00 C ATOM 1388 C VAL A 91 9.050 7.651 1.320 1.00 0.00 C ATOM 1389 O VAL A 91 8.867 8.869 1.328 1.00 0.00 O ATOM 1390 CB VAL A 91 7.357 6.021 0.481 1.00 0.00 C ATOM 1391 CG1 VAL A 91 6.980 4.576 0.771 1.00 0.00 C ATOM 1392 CG2 VAL A 91 6.155 6.802 -0.028 1.00 0.00 C ATOM 0 H VAL A 91 6.524 8.205 2.041 1.00 0.00 H new ATOM 0 HA VAL A 91 8.360 5.923 2.389 1.00 0.00 H new ATOM 0 HB VAL A 91 8.119 6.023 -0.298 1.00 0.00 H new ATOM 0 HG11 VAL A 91 6.568 4.120 -0.129 1.00 0.00 H new ATOM 0 HG12 VAL A 91 7.867 4.024 1.084 1.00 0.00 H new ATOM 0 HG13 VAL A 91 6.235 4.547 1.566 1.00 0.00 H new ATOM 0 HG21 VAL A 91 5.754 6.314 -0.916 1.00 0.00 H new ATOM 0 HG22 VAL A 91 5.388 6.834 0.746 1.00 0.00 H new ATOM 0 HG23 VAL A 91 6.461 7.818 -0.279 1.00 0.00 H new ATOM 1402 N HIS A 92 10.201 7.095 0.955 1.00 0.00 N ATOM 1403 CA HIS A 92 11.340 7.902 0.531 1.00 0.00 C ATOM 1404 C HIS A 92 12.223 7.128 -0.443 1.00 0.00 C ATOM 1405 O HIS A 92 12.582 5.978 -0.192 1.00 0.00 O ATOM 1406 CB HIS A 92 12.161 8.339 1.745 1.00 0.00 C ATOM 1407 CG HIS A 92 13.252 9.310 1.412 1.00 0.00 C ATOM 1408 ND1 HIS A 92 13.261 10.614 1.862 1.00 0.00 N ATOM 1409 CD2 HIS A 92 14.374 9.161 0.670 1.00 0.00 C ATOM 1410 CE1 HIS A 92 14.341 11.225 1.409 1.00 0.00 C ATOM 1411 NE2 HIS A 92 15.034 10.366 0.684 1.00 0.00 N ATOM 0 H HIS A 92 10.370 6.089 0.944 1.00 0.00 H new ATOM 0 HA HIS A 92 10.958 8.787 0.022 1.00 0.00 H new ATOM 0 HB2 HIS A 92 11.495 8.791 2.480 1.00 0.00 H new ATOM 0 HB3 HIS A 92 12.600 7.458 2.213 1.00 0.00 H new ATOM 0 HD2 HIS A 92 14.691 8.263 0.162 1.00 0.00 H new ATOM 0 HE1 HIS A 92 14.611 12.253 1.599 1.00 0.00 H new ATOM 0 HE2 HIS A 92 15.916 10.565 0.211 1.00 0.00 H new ATOM 1420 N VAL A 93 12.567 7.766 -1.557 1.00 0.00 N ATOM 1421 CA VAL A 93 13.408 7.138 -2.569 1.00 0.00 C ATOM 1422 C VAL A 93 14.717 7.900 -2.747 1.00 0.00 C ATOM 1423 O VAL A 93 14.719 9.119 -2.915 1.00 0.00 O ATOM 1424 CB VAL A 93 12.685 7.057 -3.927 1.00 0.00 C ATOM 1425 CG1 VAL A 93 12.304 8.447 -4.413 1.00 0.00 C ATOM 1426 CG2 VAL A 93 13.556 6.345 -4.952 1.00 0.00 C ATOM 0 H VAL A 93 12.276 8.718 -1.782 1.00 0.00 H new ATOM 0 HA VAL A 93 13.624 6.128 -2.219 1.00 0.00 H new ATOM 0 HB VAL A 93 11.769 6.480 -3.798 1.00 0.00 H new ATOM 0 HG11 VAL A 93 11.794 8.370 -5.373 1.00 0.00 H new ATOM 0 HG12 VAL A 93 11.641 8.917 -3.687 1.00 0.00 H new ATOM 0 HG13 VAL A 93 13.204 9.052 -4.527 1.00 0.00 H new ATOM 0 HG21 VAL A 93 13.030 6.297 -5.905 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.489 6.893 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.773 5.335 -4.606 1.00 0.00 H new ATOM 1436 N ILE A 94 15.828 7.172 -2.709 1.00 0.00 N ATOM 1437 CA ILE A 94 17.143 7.779 -2.867 1.00 0.00 C ATOM 1438 C ILE A 94 17.426 8.105 -4.330 1.00 0.00 C ATOM 1439 O ILE A 94 17.303 7.246 -5.203 1.00 0.00 O ATOM 1440 CB ILE A 94 18.256 6.857 -2.334 1.00 0.00 C ATOM 1441 CG1 ILE A 94 18.062 6.600 -0.838 1.00 0.00 C ATOM 1442 CG2 ILE A 94 19.623 7.470 -2.598 1.00 0.00 C ATOM 1443 CD1 ILE A 94 16.791 5.846 -0.515 1.00 0.00 C ATOM 0 H ILE A 94 15.843 6.162 -2.570 1.00 0.00 H new ATOM 0 HA ILE A 94 17.137 8.701 -2.286 1.00 0.00 H new ATOM 0 HB ILE A 94 18.200 5.903 -2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 94 18.915 6.036 -0.461 1.00 0.00 H new ATOM 0 HG13 ILE A 94 18.053 7.554 -0.312 1.00 0.00 H new ATOM 0 HG21 ILE A 94 20.399 6.807 -2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 94 19.759 7.607 -3.671 1.00 0.00 H new ATOM 0 HG23 ILE A 94 19.692 8.436 -2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 94 16.719 5.699 0.563 1.00 0.00 H new ATOM 0 HD12 ILE A 94 15.930 6.418 -0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 94 16.807 4.876 -1.013 1.00 0.00 H new