USER MOD reduce.3.24.130724 H: found=0, std=0, add=1026, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 1023 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 39 THR OG1 : rot 140:sc= -0.732 USER MOD Set 1.2: A 40 THR OG1 : rot -170:sc= -1.02 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.443 K(o=-0.44,f=-2.1!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -2.03! C(o=-2!,f=-4.5!) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot -108:sc= 0.588 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 21 LYS NZ :NH3+ 146:sc= -1.97 (180deg=-6.13!) USER MOD Single : A 22 THR OG1 : rot -38:sc= 0.498 USER MOD Single : A 25 THR OG1 : rot 13:sc= 0.467 USER MOD Single : A 28 THR OG1 : rot -23:sc= 1.5 USER MOD Single : A 30 THR OG1 : rot -170:sc= -0.432 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 152:sc= 0.02 (180deg=-0.00362) USER MOD Single : A 38 ASN : amide:sc= -0.0262 X(o=-0.026,f=-0.016) USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -146:sc= -0.0136 USER MOD Single : A 50 THR OG1 : rot -63:sc= -4.35! USER MOD Single : A 54 GLN : amide:sc= -0.298 K(o=-0.3,f=-1.5!) USER MOD Single : A 56 TYR OH : rot 30:sc= -6.05! USER MOD Single : A 57 SER OG : rot 16:sc= 0.996 USER MOD Single : A 58 HIS : no HD1:sc=-0.00646 X(o=-0.0065,f=-0.0085) USER MOD Single : A 59 HIS : no HD1:sc= -16.7! C(o=-17!,f=-12!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 THR OG1 : rot -42:sc= 1.12 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00376 USER MOD Single : A 71 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.054) USER MOD Single : A 72 GLN : amide:sc= -16.7! C(o=-17!,f=-19!) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 HIS : no HD1:sc= -4.16! C(o=-4.2!,f=-8.2!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -4.2! C(o=-4.2!,f=-15!) USER MOD Single : A 97 ASN : amide:sc= -0.154 K(o=-0.15,f=-1.6!) USER MOD Single : A 98 SER OG : rot -70:sc= 1.09 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 ASN : amide:sc= -3.98! K(o=-4!,f=-0.54) USER MOD Single : A 106 GLN : amide:sc= -2.54! C(o=-2.5!,f=-9.6!) USER MOD Single : A 107 SER OG : rot 169:sc= -2.9! USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0109 USER MOD Single : A 111 ASN : amide:sc= -0.0639 K(o=-0.064,f=-2.1!) USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot -8:sc= -1.16! USER MOD Single : A 120 MET CE :methyl -125:sc= -3.21! (180deg=-8.83!) USER MOD Single : A 123 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.106) USER MOD Single : A 124 TYR OH : rot -1:sc= 0.256 USER MOD Single : A 125 SER OG : rot 180:sc= 0 USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 52 N ASP A 4 13.403 4.125 -25.992 1.00 0.00 N ATOM 53 CA ASP A 4 12.485 5.271 -26.224 1.00 0.00 C ATOM 54 C ASP A 4 13.222 6.581 -25.948 1.00 0.00 C ATOM 55 O ASP A 4 14.263 6.603 -25.324 1.00 0.00 O ATOM 56 CB ASP A 4 11.285 5.169 -25.285 1.00 0.00 C ATOM 57 CG ASP A 4 10.996 3.701 -24.968 1.00 0.00 C ATOM 58 OD1 ASP A 4 11.691 3.149 -24.130 1.00 0.00 O ATOM 59 OD2 ASP A 4 10.085 3.153 -25.566 1.00 0.00 O ATOM 0 HA ASP A 4 12.143 5.250 -27.259 1.00 0.00 H new ATOM 0 HB2 ASP A 4 11.485 5.716 -24.364 1.00 0.00 H new ATOM 0 HB3 ASP A 4 10.411 5.629 -25.746 1.00 0.00 H new ATOM 64 N ILE A 5 12.685 7.671 -26.414 1.00 0.00 N ATOM 65 CA ILE A 5 13.334 8.987 -26.196 1.00 0.00 C ATOM 66 C ILE A 5 13.219 9.393 -24.726 1.00 0.00 C ATOM 67 O ILE A 5 14.113 9.998 -24.167 1.00 0.00 O ATOM 68 CB ILE A 5 12.613 10.000 -27.067 1.00 0.00 C ATOM 69 CG1 ILE A 5 12.580 9.464 -28.504 1.00 0.00 C ATOM 70 CG2 ILE A 5 13.331 11.353 -27.002 1.00 0.00 C ATOM 71 CD1 ILE A 5 13.849 9.874 -29.258 1.00 0.00 C ATOM 0 H ILE A 5 11.813 7.705 -26.943 1.00 0.00 H new ATOM 0 HA ILE A 5 14.392 8.938 -26.454 1.00 0.00 H new ATOM 0 HB ILE A 5 11.593 10.148 -26.712 1.00 0.00 H new ATOM 0 HG12 ILE A 5 12.492 8.378 -28.491 1.00 0.00 H new ATOM 0 HG13 ILE A 5 11.702 9.849 -29.022 1.00 0.00 H new ATOM 0 HG21 ILE A 5 12.807 12.074 -27.630 1.00 0.00 H new ATOM 0 HG22 ILE A 5 13.342 11.710 -25.972 1.00 0.00 H new ATOM 0 HG23 ILE A 5 14.355 11.239 -27.358 1.00 0.00 H new ATOM 0 HD11 ILE A 5 13.809 9.486 -30.276 1.00 0.00 H new ATOM 0 HD12 ILE A 5 13.920 10.961 -29.287 1.00 0.00 H new ATOM 0 HD13 ILE A 5 14.722 9.467 -28.748 1.00 0.00 H new ATOM 83 N THR A 6 12.120 9.077 -24.098 1.00 0.00 N ATOM 84 CA THR A 6 11.942 9.459 -22.669 1.00 0.00 C ATOM 85 C THR A 6 13.173 9.039 -21.862 1.00 0.00 C ATOM 86 O THR A 6 13.574 9.714 -20.938 1.00 0.00 O ATOM 87 CB THR A 6 10.673 8.789 -22.114 1.00 0.00 C ATOM 88 OG1 THR A 6 10.143 9.591 -21.068 1.00 0.00 O ATOM 89 CG2 THR A 6 10.991 7.393 -21.569 1.00 0.00 C ATOM 0 H THR A 6 11.338 8.571 -24.513 1.00 0.00 H new ATOM 0 HA THR A 6 11.831 10.540 -22.589 1.00 0.00 H new ATOM 0 HB THR A 6 9.946 8.691 -22.920 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.333 9.170 -20.711 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.080 6.937 -21.182 1.00 0.00 H new ATOM 0 HG22 THR A 6 11.395 6.773 -22.370 1.00 0.00 H new ATOM 0 HG23 THR A 6 11.725 7.474 -20.767 1.00 0.00 H new ATOM 97 N LEU A 7 13.772 7.928 -22.186 1.00 0.00 N ATOM 98 CA LEU A 7 14.958 7.491 -21.410 1.00 0.00 C ATOM 99 C LEU A 7 16.040 8.585 -21.397 1.00 0.00 C ATOM 100 O LEU A 7 16.526 8.943 -20.345 1.00 0.00 O ATOM 101 CB LEU A 7 15.518 6.171 -21.960 1.00 0.00 C ATOM 102 CG LEU A 7 15.726 5.253 -20.784 1.00 0.00 C ATOM 103 CD1 LEU A 7 15.951 3.821 -21.272 1.00 0.00 C ATOM 104 CD2 LEU A 7 16.940 5.728 -19.986 1.00 0.00 C ATOM 0 H LEU A 7 13.493 7.310 -22.948 1.00 0.00 H new ATOM 0 HA LEU A 7 14.642 7.319 -20.381 1.00 0.00 H new ATOM 0 HB2 LEU A 7 14.826 5.728 -22.677 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.457 6.341 -22.487 1.00 0.00 H new ATOM 0 HG LEU A 7 14.841 5.271 -20.148 1.00 0.00 H new ATOM 0 HD11 LEU A 7 16.101 3.164 -20.415 1.00 0.00 H new ATOM 0 HD12 LEU A 7 15.080 3.488 -21.837 1.00 0.00 H new ATOM 0 HD13 LEU A 7 16.833 3.789 -21.912 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.096 5.067 -19.133 1.00 0.00 H new ATOM 0 HD22 LEU A 7 17.824 5.712 -20.624 1.00 0.00 H new ATOM 0 HD23 LEU A 7 16.767 6.744 -19.631 1.00 0.00 H new ATOM 116 N GLN A 8 16.426 9.142 -22.521 1.00 0.00 N ATOM 117 CA GLN A 8 17.460 10.211 -22.473 1.00 0.00 C ATOM 118 C GLN A 8 16.993 11.296 -21.514 1.00 0.00 C ATOM 119 O GLN A 8 17.777 11.982 -20.888 1.00 0.00 O ATOM 120 CB GLN A 8 17.671 10.801 -23.868 1.00 0.00 C ATOM 121 CG GLN A 8 16.332 11.292 -24.426 1.00 0.00 C ATOM 122 CD GLN A 8 16.547 12.598 -25.194 1.00 0.00 C ATOM 123 OE1 GLN A 8 17.663 12.944 -25.524 1.00 0.00 O ATOM 124 NE2 GLN A 8 15.518 13.341 -25.494 1.00 0.00 N ATOM 0 H GLN A 8 16.075 8.905 -23.449 1.00 0.00 H new ATOM 0 HA GLN A 8 18.406 9.794 -22.129 1.00 0.00 H new ATOM 0 HB2 GLN A 8 18.382 11.626 -23.821 1.00 0.00 H new ATOM 0 HB3 GLN A 8 18.099 10.049 -24.531 1.00 0.00 H new ATOM 0 HG2 GLN A 8 15.902 10.537 -25.084 1.00 0.00 H new ATOM 0 HG3 GLN A 8 15.623 11.448 -23.613 1.00 0.00 H new ATOM 0 HE21 GLN A 8 14.581 13.050 -25.217 1.00 0.00 H new ATOM 0 HE22 GLN A 8 15.651 14.213 -26.006 1.00 0.00 H new ATOM 133 N GLU A 9 15.713 11.447 -21.402 1.00 0.00 N ATOM 134 CA GLU A 9 15.150 12.478 -20.491 1.00 0.00 C ATOM 135 C GLU A 9 15.378 12.074 -19.030 1.00 0.00 C ATOM 136 O GLU A 9 15.759 12.886 -18.211 1.00 0.00 O ATOM 137 CB GLU A 9 13.648 12.633 -20.752 1.00 0.00 C ATOM 138 CG GLU A 9 13.415 13.830 -21.675 1.00 0.00 C ATOM 139 CD GLU A 9 11.946 13.868 -22.101 1.00 0.00 C ATOM 140 OE1 GLU A 9 11.095 13.765 -21.232 1.00 0.00 O ATOM 141 OE2 GLU A 9 11.697 13.999 -23.288 1.00 0.00 O ATOM 0 H GLU A 9 15.020 10.895 -21.907 1.00 0.00 H new ATOM 0 HA GLU A 9 15.652 13.427 -20.679 1.00 0.00 H new ATOM 0 HB2 GLU A 9 13.251 11.726 -21.207 1.00 0.00 H new ATOM 0 HB3 GLU A 9 13.117 12.776 -19.811 1.00 0.00 H new ATOM 0 HG2 GLU A 9 13.680 14.755 -21.163 1.00 0.00 H new ATOM 0 HG3 GLU A 9 14.057 13.756 -22.553 1.00 0.00 H new ATOM 148 N ILE A 10 15.146 10.831 -18.683 1.00 0.00 N ATOM 149 CA ILE A 10 15.355 10.418 -17.267 1.00 0.00 C ATOM 150 C ILE A 10 16.838 10.515 -16.920 1.00 0.00 C ATOM 151 O ILE A 10 17.199 10.900 -15.832 1.00 0.00 O ATOM 152 CB ILE A 10 14.870 8.980 -17.070 1.00 0.00 C ATOM 153 CG1 ILE A 10 13.341 8.948 -17.101 1.00 0.00 C ATOM 154 CG2 ILE A 10 15.359 8.454 -15.719 1.00 0.00 C ATOM 155 CD1 ILE A 10 12.856 9.121 -18.541 1.00 0.00 C ATOM 0 H ILE A 10 14.825 10.095 -19.313 1.00 0.00 H new ATOM 0 HA ILE A 10 14.788 11.079 -16.611 1.00 0.00 H new ATOM 0 HB ILE A 10 15.265 8.354 -17.870 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.978 8.004 -16.695 1.00 0.00 H new ATOM 0 HG13 ILE A 10 12.937 9.742 -16.472 1.00 0.00 H new ATOM 0 HG21 ILE A 10 15.013 7.430 -15.580 1.00 0.00 H new ATOM 0 HG22 ILE A 10 16.448 8.475 -15.693 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.965 9.082 -14.920 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.766 9.098 -18.563 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.207 10.076 -18.931 1.00 0.00 H new ATOM 0 HD13 ILE A 10 13.248 8.312 -19.157 1.00 0.00 H new ATOM 167 N ILE A 11 17.703 10.183 -17.833 1.00 0.00 N ATOM 168 CA ILE A 11 19.154 10.283 -17.529 1.00 0.00 C ATOM 169 C ILE A 11 19.522 11.758 -17.438 1.00 0.00 C ATOM 170 O ILE A 11 20.419 12.144 -16.719 1.00 0.00 O ATOM 171 CB ILE A 11 19.973 9.614 -18.638 1.00 0.00 C ATOM 172 CG1 ILE A 11 19.832 8.092 -18.539 1.00 0.00 C ATOM 173 CG2 ILE A 11 21.446 9.997 -18.487 1.00 0.00 C ATOM 174 CD1 ILE A 11 20.479 7.440 -19.766 1.00 0.00 C ATOM 0 H ILE A 11 17.471 9.850 -18.769 1.00 0.00 H new ATOM 0 HA ILE A 11 19.371 9.779 -16.587 1.00 0.00 H new ATOM 0 HB ILE A 11 19.605 9.949 -19.608 1.00 0.00 H new ATOM 0 HG12 ILE A 11 20.308 7.730 -17.628 1.00 0.00 H new ATOM 0 HG13 ILE A 11 18.779 7.816 -18.480 1.00 0.00 H new ATOM 0 HG21 ILE A 11 22.028 9.521 -19.276 1.00 0.00 H new ATOM 0 HG22 ILE A 11 21.550 11.079 -18.562 1.00 0.00 H new ATOM 0 HG23 ILE A 11 21.811 9.664 -17.515 1.00 0.00 H new ATOM 0 HD11 ILE A 11 20.380 6.357 -19.697 1.00 0.00 H new ATOM 0 HD12 ILE A 11 19.983 7.793 -20.670 1.00 0.00 H new ATOM 0 HD13 ILE A 11 21.535 7.706 -19.805 1.00 0.00 H new ATOM 186 N LYS A 12 18.826 12.588 -18.163 1.00 0.00 N ATOM 187 CA LYS A 12 19.122 14.044 -18.115 1.00 0.00 C ATOM 188 C LYS A 12 18.765 14.590 -16.727 1.00 0.00 C ATOM 189 O LYS A 12 19.501 15.365 -16.150 1.00 0.00 O ATOM 190 CB LYS A 12 18.293 14.767 -19.177 1.00 0.00 C ATOM 191 CG LYS A 12 19.198 15.701 -19.982 1.00 0.00 C ATOM 192 CD LYS A 12 18.544 16.009 -21.332 1.00 0.00 C ATOM 193 CE LYS A 12 19.305 17.141 -22.023 1.00 0.00 C ATOM 194 NZ LYS A 12 18.783 18.453 -21.547 1.00 0.00 N ATOM 0 H LYS A 12 18.065 12.320 -18.787 1.00 0.00 H new ATOM 0 HA LYS A 12 20.182 14.208 -18.309 1.00 0.00 H new ATOM 0 HB2 LYS A 12 17.819 14.042 -19.839 1.00 0.00 H new ATOM 0 HB3 LYS A 12 17.493 15.337 -18.704 1.00 0.00 H new ATOM 0 HG2 LYS A 12 19.368 16.625 -19.429 1.00 0.00 H new ATOM 0 HG3 LYS A 12 20.172 15.237 -20.135 1.00 0.00 H new ATOM 0 HD2 LYS A 12 18.547 15.118 -21.961 1.00 0.00 H new ATOM 0 HD3 LYS A 12 17.502 16.293 -21.186 1.00 0.00 H new ATOM 0 HE2 LYS A 12 20.371 17.062 -21.808 1.00 0.00 H new ATOM 0 HE3 LYS A 12 19.192 17.063 -23.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 19.300 19.223 -22.017 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 17.771 18.527 -21.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 18.913 18.526 -20.518 1.00 0.00 H new ATOM 208 N THR A 13 17.640 14.196 -16.184 1.00 0.00 N ATOM 209 CA THR A 13 17.246 14.703 -14.838 1.00 0.00 C ATOM 210 C THR A 13 18.156 14.099 -13.766 1.00 0.00 C ATOM 211 O THR A 13 18.665 14.793 -12.908 1.00 0.00 O ATOM 212 CB THR A 13 15.791 14.320 -14.557 1.00 0.00 C ATOM 213 OG1 THR A 13 14.931 15.123 -15.353 1.00 0.00 O ATOM 214 CG2 THR A 13 15.477 14.548 -13.076 1.00 0.00 C ATOM 0 H THR A 13 16.981 13.547 -16.614 1.00 0.00 H new ATOM 0 HA THR A 13 17.347 15.788 -14.818 1.00 0.00 H new ATOM 0 HB THR A 13 15.638 13.269 -14.801 1.00 0.00 H new ATOM 0 HG1 THR A 13 13.999 14.878 -15.176 1.00 0.00 H new ATOM 0 HG21 THR A 13 14.441 14.275 -12.878 1.00 0.00 H new ATOM 0 HG22 THR A 13 16.138 13.933 -12.465 1.00 0.00 H new ATOM 0 HG23 THR A 13 15.629 15.599 -12.829 1.00 0.00 H new ATOM 222 N LEU A 14 18.364 12.816 -13.808 1.00 0.00 N ATOM 223 CA LEU A 14 19.238 12.165 -12.795 1.00 0.00 C ATOM 224 C LEU A 14 20.663 12.699 -12.946 1.00 0.00 C ATOM 225 O LEU A 14 21.429 12.740 -12.002 1.00 0.00 O ATOM 226 CB LEU A 14 19.222 10.650 -13.016 1.00 0.00 C ATOM 227 CG LEU A 14 17.922 10.052 -12.455 1.00 0.00 C ATOM 228 CD1 LEU A 14 16.736 10.970 -12.771 1.00 0.00 C ATOM 229 CD2 LEU A 14 17.678 8.680 -13.092 1.00 0.00 C ATOM 0 H LEU A 14 17.965 12.186 -14.504 1.00 0.00 H new ATOM 0 HA LEU A 14 18.875 12.385 -11.791 1.00 0.00 H new ATOM 0 HB2 LEU A 14 19.305 10.428 -14.080 1.00 0.00 H new ATOM 0 HB3 LEU A 14 20.083 10.194 -12.527 1.00 0.00 H new ATOM 0 HG LEU A 14 18.018 9.951 -11.374 1.00 0.00 H new ATOM 0 HD11 LEU A 14 15.822 10.535 -12.368 1.00 0.00 H new ATOM 0 HD12 LEU A 14 16.902 11.948 -12.319 1.00 0.00 H new ATOM 0 HD13 LEU A 14 16.640 11.081 -13.851 1.00 0.00 H new ATOM 0 HD21 LEU A 14 16.756 8.254 -12.696 1.00 0.00 H new ATOM 0 HD22 LEU A 14 17.591 8.791 -14.173 1.00 0.00 H new ATOM 0 HD23 LEU A 14 18.513 8.018 -12.861 1.00 0.00 H new ATOM 241 N ASN A 15 21.023 13.099 -14.132 1.00 0.00 N ATOM 242 CA ASN A 15 22.399 13.621 -14.370 1.00 0.00 C ATOM 243 C ASN A 15 22.574 14.988 -13.680 1.00 0.00 C ATOM 244 O ASN A 15 23.588 15.238 -13.061 1.00 0.00 O ATOM 245 CB ASN A 15 22.620 13.787 -15.874 1.00 0.00 C ATOM 246 CG ASN A 15 24.006 14.386 -16.121 1.00 0.00 C ATOM 247 OD1 ASN A 15 24.679 14.792 -15.196 1.00 0.00 O ATOM 248 ND2 ASN A 15 24.465 14.456 -17.341 1.00 0.00 N ATOM 0 H ASN A 15 20.419 13.087 -14.954 1.00 0.00 H new ATOM 0 HA ASN A 15 23.124 12.918 -13.960 1.00 0.00 H new ATOM 0 HB2 ASN A 15 22.534 12.822 -16.374 1.00 0.00 H new ATOM 0 HB3 ASN A 15 21.851 14.434 -16.296 1.00 0.00 H new ATOM 0 HD21 ASN A 15 25.389 14.852 -17.516 1.00 0.00 H new ATOM 0 HD22 ASN A 15 23.900 14.115 -18.119 1.00 0.00 H new ATOM 255 N SER A 16 21.616 15.897 -13.784 1.00 0.00 N ATOM 256 CA SER A 16 21.801 17.225 -13.131 1.00 0.00 C ATOM 257 C SER A 16 21.780 17.071 -11.605 1.00 0.00 C ATOM 258 O SER A 16 22.647 17.568 -10.913 1.00 0.00 O ATOM 259 CB SER A 16 20.672 18.165 -13.560 1.00 0.00 C ATOM 260 OG SER A 16 20.515 18.103 -14.970 1.00 0.00 O ATOM 0 H SER A 16 20.736 15.770 -14.284 1.00 0.00 H new ATOM 0 HA SER A 16 22.763 17.639 -13.435 1.00 0.00 H new ATOM 0 HB2 SER A 16 19.742 17.882 -13.067 1.00 0.00 H new ATOM 0 HB3 SER A 16 20.898 19.186 -13.253 1.00 0.00 H new ATOM 0 HG SER A 16 19.791 18.703 -15.245 1.00 0.00 H new ATOM 266 N LEU A 17 20.793 16.403 -11.076 1.00 0.00 N ATOM 267 CA LEU A 17 20.713 16.238 -9.594 1.00 0.00 C ATOM 268 C LEU A 17 21.953 15.510 -9.061 1.00 0.00 C ATOM 269 O LEU A 17 22.571 15.946 -8.110 1.00 0.00 O ATOM 270 CB LEU A 17 19.460 15.423 -9.243 1.00 0.00 C ATOM 271 CG LEU A 17 18.298 16.363 -8.905 1.00 0.00 C ATOM 272 CD1 LEU A 17 18.219 17.474 -9.955 1.00 0.00 C ATOM 273 CD2 LEU A 17 16.982 15.572 -8.896 1.00 0.00 C ATOM 0 H LEU A 17 20.038 15.964 -11.603 1.00 0.00 H new ATOM 0 HA LEU A 17 20.662 17.225 -9.135 1.00 0.00 H new ATOM 0 HB2 LEU A 17 19.187 14.782 -10.081 1.00 0.00 H new ATOM 0 HB3 LEU A 17 19.667 14.769 -8.396 1.00 0.00 H new ATOM 0 HG LEU A 17 18.462 16.803 -7.921 1.00 0.00 H new ATOM 0 HD11 LEU A 17 17.393 18.143 -9.715 1.00 0.00 H new ATOM 0 HD12 LEU A 17 19.152 18.037 -9.960 1.00 0.00 H new ATOM 0 HD13 LEU A 17 18.056 17.034 -10.939 1.00 0.00 H new ATOM 0 HD21 LEU A 17 16.156 16.242 -8.655 1.00 0.00 H new ATOM 0 HD22 LEU A 17 16.816 15.130 -9.879 1.00 0.00 H new ATOM 0 HD23 LEU A 17 17.038 14.782 -8.148 1.00 0.00 H new ATOM 285 N THR A 18 22.312 14.397 -9.641 1.00 0.00 N ATOM 286 CA THR A 18 23.499 13.643 -9.134 1.00 0.00 C ATOM 287 C THR A 18 24.770 14.461 -9.309 1.00 0.00 C ATOM 288 O THR A 18 25.554 14.626 -8.394 1.00 0.00 O ATOM 289 CB THR A 18 23.631 12.325 -9.899 1.00 0.00 C ATOM 290 OG1 THR A 18 23.649 12.588 -11.295 1.00 0.00 O ATOM 291 CG2 THR A 18 22.446 11.417 -9.565 1.00 0.00 C ATOM 0 H THR A 18 21.838 13.977 -10.441 1.00 0.00 H new ATOM 0 HA THR A 18 23.357 13.442 -8.072 1.00 0.00 H new ATOM 0 HB THR A 18 24.558 11.830 -9.610 1.00 0.00 H new ATOM 0 HG1 THR A 18 22.800 12.302 -11.693 1.00 0.00 H new ATOM 0 HG21 THR A 18 22.542 10.478 -10.111 1.00 0.00 H new ATOM 0 HG22 THR A 18 22.433 11.214 -8.494 1.00 0.00 H new ATOM 0 HG23 THR A 18 21.517 11.910 -9.852 1.00 0.00 H new ATOM 299 N GLU A 19 24.977 14.962 -10.474 1.00 0.00 N ATOM 300 CA GLU A 19 26.197 15.773 -10.744 1.00 0.00 C ATOM 301 C GLU A 19 26.349 16.829 -9.661 1.00 0.00 C ATOM 302 O GLU A 19 27.439 17.245 -9.321 1.00 0.00 O ATOM 303 CB GLU A 19 26.077 16.447 -12.113 1.00 0.00 C ATOM 304 CG GLU A 19 27.392 17.153 -12.450 1.00 0.00 C ATOM 305 CD GLU A 19 27.669 17.028 -13.950 1.00 0.00 C ATOM 306 OE1 GLU A 19 27.874 15.915 -14.404 1.00 0.00 O ATOM 307 OE2 GLU A 19 27.669 18.048 -14.619 1.00 0.00 O ATOM 0 H GLU A 19 24.351 14.849 -11.271 1.00 0.00 H new ATOM 0 HA GLU A 19 27.073 15.124 -10.743 1.00 0.00 H new ATOM 0 HB2 GLU A 19 25.844 15.705 -12.877 1.00 0.00 H new ATOM 0 HB3 GLU A 19 25.257 17.165 -12.106 1.00 0.00 H new ATOM 0 HG2 GLU A 19 27.336 18.204 -12.166 1.00 0.00 H new ATOM 0 HG3 GLU A 19 28.210 16.712 -11.880 1.00 0.00 H new ATOM 314 N GLN A 20 25.259 17.258 -9.119 1.00 0.00 N ATOM 315 CA GLN A 20 25.311 18.292 -8.045 1.00 0.00 C ATOM 316 C GLN A 20 24.170 18.065 -7.047 1.00 0.00 C ATOM 317 O GLN A 20 23.011 18.245 -7.365 1.00 0.00 O ATOM 318 CB GLN A 20 25.170 19.681 -8.670 1.00 0.00 C ATOM 319 CG GLN A 20 26.167 19.827 -9.821 1.00 0.00 C ATOM 320 CD GLN A 20 25.932 21.157 -10.538 1.00 0.00 C ATOM 321 OE1 GLN A 20 25.034 21.272 -11.349 1.00 0.00 O ATOM 322 NE2 GLN A 20 26.704 22.174 -10.271 1.00 0.00 N ATOM 0 H GLN A 20 24.322 16.941 -9.369 1.00 0.00 H new ATOM 0 HA GLN A 20 26.265 18.219 -7.522 1.00 0.00 H new ATOM 0 HB2 GLN A 20 24.153 19.825 -9.035 1.00 0.00 H new ATOM 0 HB3 GLN A 20 25.351 20.450 -7.919 1.00 0.00 H new ATOM 0 HG2 GLN A 20 27.187 19.783 -9.440 1.00 0.00 H new ATOM 0 HG3 GLN A 20 26.053 19.000 -10.521 1.00 0.00 H new ATOM 0 HE21 GLN A 20 27.458 22.077 -9.590 1.00 0.00 H new ATOM 0 HE22 GLN A 20 26.554 23.066 -10.743 1.00 0.00 H new ATOM 331 N LYS A 21 24.487 17.672 -5.840 1.00 0.00 N ATOM 332 CA LYS A 21 23.415 17.441 -4.829 1.00 0.00 C ATOM 333 C LYS A 21 24.026 17.397 -3.425 1.00 0.00 C ATOM 334 O LYS A 21 23.834 16.450 -2.688 1.00 0.00 O ATOM 335 CB LYS A 21 22.722 16.108 -5.120 1.00 0.00 C ATOM 336 CG LYS A 21 21.207 16.315 -5.134 1.00 0.00 C ATOM 337 CD LYS A 21 20.526 15.161 -4.394 1.00 0.00 C ATOM 338 CE LYS A 21 20.432 15.494 -2.904 1.00 0.00 C ATOM 339 NZ LYS A 21 19.101 16.097 -2.612 1.00 0.00 N ATOM 0 H LYS A 21 25.438 17.502 -5.513 1.00 0.00 H new ATOM 0 HA LYS A 21 22.690 18.253 -4.882 1.00 0.00 H new ATOM 0 HB2 LYS A 21 23.055 15.714 -6.080 1.00 0.00 H new ATOM 0 HB3 LYS A 21 22.993 15.372 -4.363 1.00 0.00 H new ATOM 0 HG2 LYS A 21 20.955 17.264 -4.660 1.00 0.00 H new ATOM 0 HG3 LYS A 21 20.846 16.366 -6.161 1.00 0.00 H new ATOM 0 HD2 LYS A 21 19.530 14.990 -4.803 1.00 0.00 H new ATOM 0 HD3 LYS A 21 21.091 14.240 -4.537 1.00 0.00 H new ATOM 0 HE2 LYS A 21 20.572 14.591 -2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 21 21.226 16.187 -2.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 18.791 15.810 -1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 19.173 17.134 -2.654 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 18.409 15.769 -3.316 1.00 0.00 H new ATOM 353 N THR A 22 24.777 18.400 -3.053 1.00 0.00 N ATOM 354 CA THR A 22 25.409 18.390 -1.701 1.00 0.00 C ATOM 355 C THR A 22 24.607 19.245 -0.698 1.00 0.00 C ATOM 356 O THR A 22 25.050 19.454 0.414 1.00 0.00 O ATOM 357 CB THR A 22 26.824 18.959 -1.816 1.00 0.00 C ATOM 358 OG1 THR A 22 27.536 18.699 -0.613 1.00 0.00 O ATOM 359 CG2 THR A 22 26.753 20.468 -2.052 1.00 0.00 C ATOM 0 H THR A 22 24.979 19.221 -3.623 1.00 0.00 H new ATOM 0 HA THR A 22 25.429 17.363 -1.337 1.00 0.00 H new ATOM 0 HB THR A 22 27.338 18.487 -2.653 1.00 0.00 H new ATOM 0 HG1 THR A 22 26.933 18.801 0.153 1.00 0.00 H new ATOM 0 HG21 THR A 22 27.762 20.871 -2.134 1.00 0.00 H new ATOM 0 HG22 THR A 22 26.207 20.667 -2.974 1.00 0.00 H new ATOM 0 HG23 THR A 22 26.239 20.943 -1.217 1.00 0.00 H new ATOM 367 N LEU A 23 23.448 19.763 -1.053 1.00 0.00 N ATOM 368 CA LEU A 23 22.701 20.600 -0.075 1.00 0.00 C ATOM 369 C LEU A 23 21.577 19.793 0.580 1.00 0.00 C ATOM 370 O LEU A 23 20.693 20.347 1.203 1.00 0.00 O ATOM 371 CB LEU A 23 22.109 21.808 -0.798 1.00 0.00 C ATOM 372 CG LEU A 23 21.270 22.631 0.182 1.00 0.00 C ATOM 373 CD1 LEU A 23 21.593 24.117 0.005 1.00 0.00 C ATOM 374 CD2 LEU A 23 19.785 22.395 -0.094 1.00 0.00 C ATOM 0 H LEU A 23 23.001 19.641 -1.962 1.00 0.00 H new ATOM 0 HA LEU A 23 23.388 20.931 0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 23 22.907 22.422 -1.215 1.00 0.00 H new ATOM 0 HB3 LEU A 23 21.492 21.478 -1.633 1.00 0.00 H new ATOM 0 HG LEU A 23 21.501 22.327 1.203 1.00 0.00 H new ATOM 0 HD11 LEU A 23 20.996 24.705 0.702 1.00 0.00 H new ATOM 0 HD12 LEU A 23 22.652 24.285 0.202 1.00 0.00 H new ATOM 0 HD13 LEU A 23 21.361 24.421 -1.016 1.00 0.00 H new ATOM 0 HD21 LEU A 23 19.188 22.981 0.604 1.00 0.00 H new ATOM 0 HD22 LEU A 23 19.552 22.698 -1.115 1.00 0.00 H new ATOM 0 HD23 LEU A 23 19.555 21.337 0.031 1.00 0.00 H new ATOM 386 N CYS A 24 21.604 18.496 0.463 1.00 0.00 N ATOM 387 CA CYS A 24 20.536 17.674 1.094 1.00 0.00 C ATOM 388 C CYS A 24 21.051 16.247 1.293 1.00 0.00 C ATOM 389 O CYS A 24 21.667 15.937 2.293 1.00 0.00 O ATOM 390 CB CYS A 24 19.298 17.650 0.190 1.00 0.00 C ATOM 391 SG CYS A 24 18.362 19.185 0.393 1.00 0.00 S ATOM 0 H CYS A 24 22.318 17.970 -0.041 1.00 0.00 H new ATOM 0 HA CYS A 24 20.267 18.106 2.058 1.00 0.00 H new ATOM 0 HB2 CYS A 24 19.599 17.531 -0.851 1.00 0.00 H new ATOM 0 HB3 CYS A 24 18.670 16.795 0.440 1.00 0.00 H new ATOM 396 N THR A 25 20.810 15.385 0.340 1.00 0.00 N ATOM 397 CA THR A 25 21.280 13.970 0.453 1.00 0.00 C ATOM 398 C THR A 25 21.130 13.484 1.899 1.00 0.00 C ATOM 399 O THR A 25 20.396 14.054 2.678 1.00 0.00 O ATOM 400 CB THR A 25 22.749 13.888 0.038 1.00 0.00 C ATOM 401 OG1 THR A 25 23.537 14.658 0.936 1.00 0.00 O ATOM 402 CG2 THR A 25 22.913 14.430 -1.383 1.00 0.00 C ATOM 0 H THR A 25 20.304 15.601 -0.519 1.00 0.00 H new ATOM 0 HA THR A 25 20.678 13.339 -0.201 1.00 0.00 H new ATOM 0 HB THR A 25 23.077 12.849 0.066 1.00 0.00 H new ATOM 0 HG1 THR A 25 23.001 14.895 1.721 1.00 0.00 H new ATOM 0 HG21 THR A 25 23.961 14.370 -1.676 1.00 0.00 H new ATOM 0 HG22 THR A 25 22.309 13.837 -2.070 1.00 0.00 H new ATOM 0 HG23 THR A 25 22.585 15.469 -1.416 1.00 0.00 H new ATOM 410 N GLU A 26 21.829 12.437 2.258 1.00 0.00 N ATOM 411 CA GLU A 26 21.741 11.909 3.655 1.00 0.00 C ATOM 412 C GLU A 26 20.299 11.996 4.162 1.00 0.00 C ATOM 413 O GLU A 26 20.053 12.139 5.342 1.00 0.00 O ATOM 414 CB GLU A 26 22.651 12.735 4.566 1.00 0.00 C ATOM 415 CG GLU A 26 23.952 11.971 4.821 1.00 0.00 C ATOM 416 CD GLU A 26 25.044 12.498 3.889 1.00 0.00 C ATOM 417 OE1 GLU A 26 25.449 13.636 4.068 1.00 0.00 O ATOM 418 OE2 GLU A 26 25.457 11.759 3.012 1.00 0.00 O ATOM 0 H GLU A 26 22.459 11.923 1.642 1.00 0.00 H new ATOM 0 HA GLU A 26 22.058 10.866 3.663 1.00 0.00 H new ATOM 0 HB2 GLU A 26 22.868 13.698 4.104 1.00 0.00 H new ATOM 0 HB3 GLU A 26 22.147 12.941 5.510 1.00 0.00 H new ATOM 0 HG2 GLU A 26 24.258 12.089 5.860 1.00 0.00 H new ATOM 0 HG3 GLU A 26 23.799 10.905 4.653 1.00 0.00 H new ATOM 425 N LEU A 27 19.345 11.921 3.276 1.00 0.00 N ATOM 426 CA LEU A 27 17.921 12.009 3.702 1.00 0.00 C ATOM 427 C LEU A 27 17.374 10.615 3.965 1.00 0.00 C ATOM 428 O LEU A 27 16.415 10.424 4.684 1.00 0.00 O ATOM 429 CB LEU A 27 17.134 12.683 2.592 1.00 0.00 C ATOM 430 CG LEU A 27 17.536 14.168 2.466 1.00 0.00 C ATOM 431 CD1 LEU A 27 16.302 14.983 2.103 1.00 0.00 C ATOM 432 CD2 LEU A 27 18.104 14.716 3.784 1.00 0.00 C ATOM 0 H LEU A 27 19.491 11.802 2.273 1.00 0.00 H new ATOM 0 HA LEU A 27 17.836 12.588 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 27 17.315 12.170 1.647 1.00 0.00 H new ATOM 0 HB3 LEU A 27 16.066 12.606 2.797 1.00 0.00 H new ATOM 0 HG LEU A 27 18.305 14.245 1.697 1.00 0.00 H new ATOM 0 HD11 LEU A 27 16.574 16.034 2.011 1.00 0.00 H new ATOM 0 HD12 LEU A 27 15.898 14.629 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 27 15.549 14.870 2.883 1.00 0.00 H new ATOM 0 HD21 LEU A 27 18.375 15.764 3.655 1.00 0.00 H new ATOM 0 HD22 LEU A 27 17.352 14.630 4.568 1.00 0.00 H new ATOM 0 HD23 LEU A 27 18.988 14.144 4.065 1.00 0.00 H new ATOM 444 N THR A 28 18.002 9.652 3.387 1.00 0.00 N ATOM 445 CA THR A 28 17.579 8.231 3.575 1.00 0.00 C ATOM 446 C THR A 28 16.237 7.979 2.890 1.00 0.00 C ATOM 447 O THR A 28 15.238 8.596 3.203 1.00 0.00 O ATOM 448 CB THR A 28 17.453 7.924 5.070 1.00 0.00 C ATOM 449 OG1 THR A 28 16.154 8.278 5.521 1.00 0.00 O ATOM 450 CG2 THR A 28 18.503 8.718 5.845 1.00 0.00 C ATOM 0 H THR A 28 18.809 9.778 2.777 1.00 0.00 H new ATOM 0 HA THR A 28 18.332 7.581 3.129 1.00 0.00 H new ATOM 0 HB THR A 28 17.613 6.859 5.236 1.00 0.00 H new ATOM 0 HG1 THR A 28 15.771 8.950 4.920 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.413 8.499 6.909 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.498 8.438 5.500 1.00 0.00 H new ATOM 0 HG23 THR A 28 18.348 9.784 5.680 1.00 0.00 H new ATOM 458 N VAL A 29 16.209 7.060 1.964 1.00 0.00 N ATOM 459 CA VAL A 29 14.932 6.744 1.261 1.00 0.00 C ATOM 460 C VAL A 29 14.896 5.251 0.937 1.00 0.00 C ATOM 461 O VAL A 29 15.900 4.570 0.975 1.00 0.00 O ATOM 462 CB VAL A 29 14.810 7.551 -0.045 1.00 0.00 C ATOM 463 CG1 VAL A 29 13.694 8.596 0.069 1.00 0.00 C ATOM 464 CG2 VAL A 29 16.125 8.264 -0.365 1.00 0.00 C ATOM 0 H VAL A 29 17.016 6.513 1.663 1.00 0.00 H new ATOM 0 HA VAL A 29 14.099 7.011 1.912 1.00 0.00 H new ATOM 0 HB VAL A 29 14.573 6.851 -0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 29 13.623 9.156 -0.863 1.00 0.00 H new ATOM 0 HG12 VAL A 29 12.746 8.096 0.265 1.00 0.00 H new ATOM 0 HG13 VAL A 29 13.919 9.280 0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 29 16.017 8.828 -1.291 1.00 0.00 H new ATOM 0 HG22 VAL A 29 16.376 8.945 0.448 1.00 0.00 H new ATOM 0 HG23 VAL A 29 16.920 7.527 -0.480 1.00 0.00 H new ATOM 474 N THR A 30 13.738 4.737 0.624 1.00 0.00 N ATOM 475 CA THR A 30 13.626 3.286 0.304 1.00 0.00 C ATOM 476 C THR A 30 14.273 3.001 -1.053 1.00 0.00 C ATOM 477 O THR A 30 13.800 3.444 -2.081 1.00 0.00 O ATOM 478 CB THR A 30 12.148 2.890 0.258 1.00 0.00 C ATOM 479 OG1 THR A 30 11.355 3.951 0.768 1.00 0.00 O ATOM 480 CG2 THR A 30 11.927 1.634 1.101 1.00 0.00 C ATOM 0 H THR A 30 12.864 5.260 0.576 1.00 0.00 H new ATOM 0 HA THR A 30 14.138 2.707 1.073 1.00 0.00 H new ATOM 0 HB THR A 30 11.860 2.688 -0.774 1.00 0.00 H new ATOM 0 HG1 THR A 30 10.432 3.642 0.886 1.00 0.00 H new ATOM 0 HG21 THR A 30 10.874 1.354 1.067 1.00 0.00 H new ATOM 0 HG22 THR A 30 12.533 0.819 0.705 1.00 0.00 H new ATOM 0 HG23 THR A 30 12.216 1.833 2.133 1.00 0.00 H new ATOM 488 N ASP A 31 15.347 2.262 -1.067 1.00 0.00 N ATOM 489 CA ASP A 31 16.015 1.944 -2.362 1.00 0.00 C ATOM 490 C ASP A 31 15.786 0.470 -2.701 1.00 0.00 C ATOM 491 O ASP A 31 15.969 -0.400 -1.873 1.00 0.00 O ATOM 492 CB ASP A 31 17.517 2.214 -2.242 1.00 0.00 C ATOM 493 CG ASP A 31 17.755 3.719 -2.108 1.00 0.00 C ATOM 494 OD1 ASP A 31 17.237 4.300 -1.169 1.00 0.00 O ATOM 495 OD2 ASP A 31 18.451 4.265 -2.950 1.00 0.00 O ATOM 0 H ASP A 31 15.791 1.864 -0.239 1.00 0.00 H new ATOM 0 HA ASP A 31 15.597 2.569 -3.151 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.923 1.692 -1.375 1.00 0.00 H new ATOM 0 HB3 ASP A 31 18.038 1.829 -3.119 1.00 0.00 H new ATOM 500 N ILE A 32 15.386 0.177 -3.910 1.00 0.00 N ATOM 501 CA ILE A 32 15.145 -1.243 -4.288 1.00 0.00 C ATOM 502 C ILE A 32 16.349 -1.776 -5.068 1.00 0.00 C ATOM 503 O ILE A 32 16.202 -2.408 -6.095 1.00 0.00 O ATOM 504 CB ILE A 32 13.894 -1.362 -5.166 1.00 0.00 C ATOM 505 CG1 ILE A 32 13.229 0.007 -5.380 1.00 0.00 C ATOM 506 CG2 ILE A 32 12.900 -2.299 -4.487 1.00 0.00 C ATOM 507 CD1 ILE A 32 14.018 0.822 -6.411 1.00 0.00 C ATOM 0 H ILE A 32 15.217 0.859 -4.649 1.00 0.00 H new ATOM 0 HA ILE A 32 14.999 -1.823 -3.377 1.00 0.00 H new ATOM 0 HB ILE A 32 14.191 -1.754 -6.139 1.00 0.00 H new ATOM 0 HG12 ILE A 32 12.202 -0.128 -5.721 1.00 0.00 H new ATOM 0 HG13 ILE A 32 13.183 0.549 -4.435 1.00 0.00 H new ATOM 0 HG21 ILE A 32 12.006 -2.390 -5.104 1.00 0.00 H new ATOM 0 HG22 ILE A 32 13.355 -3.281 -4.359 1.00 0.00 H new ATOM 0 HG23 ILE A 32 12.628 -1.896 -3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 32 13.538 1.790 -6.555 1.00 0.00 H new ATOM 0 HD12 ILE A 32 15.037 0.972 -6.054 1.00 0.00 H new ATOM 0 HD13 ILE A 32 14.041 0.284 -7.359 1.00 0.00 H new ATOM 519 N PHE A 33 17.538 -1.520 -4.599 1.00 0.00 N ATOM 520 CA PHE A 33 18.742 -2.008 -5.328 1.00 0.00 C ATOM 521 C PHE A 33 19.540 -2.978 -4.444 1.00 0.00 C ATOM 522 O PHE A 33 20.737 -3.124 -4.604 1.00 0.00 O ATOM 523 CB PHE A 33 19.617 -0.811 -5.693 1.00 0.00 C ATOM 524 CG PHE A 33 18.769 0.225 -6.392 1.00 0.00 C ATOM 525 CD1 PHE A 33 18.263 -0.033 -7.670 1.00 0.00 C ATOM 526 CD2 PHE A 33 18.481 1.439 -5.758 1.00 0.00 C ATOM 527 CE1 PHE A 33 17.472 0.923 -8.318 1.00 0.00 C ATOM 528 CE2 PHE A 33 17.691 2.397 -6.404 1.00 0.00 C ATOM 529 CZ PHE A 33 17.186 2.139 -7.685 1.00 0.00 C ATOM 0 H PHE A 33 17.728 -0.996 -3.745 1.00 0.00 H new ATOM 0 HA PHE A 33 18.431 -2.533 -6.231 1.00 0.00 H new ATOM 0 HB2 PHE A 33 20.066 -0.386 -4.796 1.00 0.00 H new ATOM 0 HB3 PHE A 33 20.435 -1.127 -6.340 1.00 0.00 H new ATOM 0 HD1 PHE A 33 18.483 -0.971 -8.158 1.00 0.00 H new ATOM 0 HD2 PHE A 33 18.869 1.637 -4.770 1.00 0.00 H new ATOM 0 HE1 PHE A 33 17.083 0.723 -9.305 1.00 0.00 H new ATOM 0 HE2 PHE A 33 17.471 3.335 -5.915 1.00 0.00 H new ATOM 0 HZ PHE A 33 16.576 2.878 -8.184 1.00 0.00 H new ATOM 539 N ALA A 34 18.902 -3.648 -3.513 1.00 0.00 N ATOM 540 CA ALA A 34 19.651 -4.595 -2.641 1.00 0.00 C ATOM 541 C ALA A 34 18.683 -5.627 -2.060 1.00 0.00 C ATOM 542 O ALA A 34 18.542 -5.752 -0.859 1.00 0.00 O ATOM 543 CB ALA A 34 20.318 -3.822 -1.501 1.00 0.00 C ATOM 0 H ALA A 34 17.902 -3.578 -3.324 1.00 0.00 H new ATOM 0 HA ALA A 34 20.415 -5.104 -3.229 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.866 -4.515 -0.863 1.00 0.00 H new ATOM 0 HB2 ALA A 34 21.008 -3.087 -1.915 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.555 -3.312 -0.912 1.00 0.00 H new ATOM 549 N ALA A 35 18.015 -6.368 -2.902 1.00 0.00 N ATOM 550 CA ALA A 35 17.057 -7.390 -2.396 1.00 0.00 C ATOM 551 C ALA A 35 16.377 -8.076 -3.582 1.00 0.00 C ATOM 552 O ALA A 35 15.254 -7.770 -3.929 1.00 0.00 O ATOM 553 CB ALA A 35 16.000 -6.713 -1.523 1.00 0.00 C ATOM 0 H ALA A 35 18.092 -6.309 -3.917 1.00 0.00 H new ATOM 0 HA ALA A 35 17.594 -8.131 -1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 35 15.299 -7.462 -1.153 1.00 0.00 H new ATOM 0 HB2 ALA A 35 16.485 -6.222 -0.679 1.00 0.00 H new ATOM 0 HB3 ALA A 35 15.461 -5.972 -2.113 1.00 0.00 H new ATOM 559 N SER A 36 17.051 -9.001 -4.209 1.00 0.00 N ATOM 560 CA SER A 36 16.443 -9.704 -5.373 1.00 0.00 C ATOM 561 C SER A 36 16.005 -8.676 -6.416 1.00 0.00 C ATOM 562 O SER A 36 14.906 -8.727 -6.929 1.00 0.00 O ATOM 563 CB SER A 36 15.228 -10.511 -4.908 1.00 0.00 C ATOM 564 OG SER A 36 14.982 -11.568 -5.825 1.00 0.00 O ATOM 0 H SER A 36 17.995 -9.300 -3.966 1.00 0.00 H new ATOM 0 HA SER A 36 17.177 -10.379 -5.813 1.00 0.00 H new ATOM 0 HB2 SER A 36 15.406 -10.914 -3.911 1.00 0.00 H new ATOM 0 HB3 SER A 36 14.353 -9.864 -4.839 1.00 0.00 H new ATOM 0 HG SER A 36 14.205 -12.086 -5.527 1.00 0.00 H new ATOM 570 N LYS A 37 16.858 -7.741 -6.735 1.00 0.00 N ATOM 571 CA LYS A 37 16.492 -6.710 -7.745 1.00 0.00 C ATOM 572 C LYS A 37 16.731 -7.263 -9.152 1.00 0.00 C ATOM 573 O LYS A 37 16.661 -6.548 -10.131 1.00 0.00 O ATOM 574 CB LYS A 37 17.350 -5.462 -7.535 1.00 0.00 C ATOM 575 CG LYS A 37 16.774 -4.304 -8.354 1.00 0.00 C ATOM 576 CD LYS A 37 17.913 -3.411 -8.848 1.00 0.00 C ATOM 577 CE LYS A 37 18.651 -4.109 -9.990 1.00 0.00 C ATOM 578 NZ LYS A 37 17.903 -3.907 -11.263 1.00 0.00 N ATOM 0 H LYS A 37 17.793 -7.647 -6.339 1.00 0.00 H new ATOM 0 HA LYS A 37 15.439 -6.450 -7.632 1.00 0.00 H new ATOM 0 HB2 LYS A 37 17.374 -5.197 -6.478 1.00 0.00 H new ATOM 0 HB3 LYS A 37 18.378 -5.659 -7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 37 16.207 -4.691 -9.201 1.00 0.00 H new ATOM 0 HG3 LYS A 37 16.081 -3.724 -7.745 1.00 0.00 H new ATOM 0 HD2 LYS A 37 17.517 -2.454 -9.188 1.00 0.00 H new ATOM 0 HD3 LYS A 37 18.603 -3.199 -8.031 1.00 0.00 H new ATOM 0 HE2 LYS A 37 19.661 -3.710 -10.082 1.00 0.00 H new ATOM 0 HE3 LYS A 37 18.747 -5.174 -9.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 18.566 -3.936 -12.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 17.194 -4.660 -11.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 17.426 -2.983 -11.242 1.00 0.00 H new ATOM 592 N ASN A 38 17.013 -8.533 -9.260 1.00 0.00 N ATOM 593 CA ASN A 38 17.256 -9.130 -10.603 1.00 0.00 C ATOM 594 C ASN A 38 15.980 -9.035 -11.441 1.00 0.00 C ATOM 595 O ASN A 38 15.992 -9.253 -12.637 1.00 0.00 O ATOM 596 CB ASN A 38 17.654 -10.598 -10.446 1.00 0.00 C ATOM 597 CG ASN A 38 18.258 -11.106 -11.756 1.00 0.00 C ATOM 598 OD1 ASN A 38 17.674 -11.930 -12.430 1.00 0.00 O ATOM 599 ND2 ASN A 38 19.415 -10.646 -12.148 1.00 0.00 N ATOM 0 H ASN A 38 17.085 -9.182 -8.477 1.00 0.00 H new ATOM 0 HA ASN A 38 18.060 -8.588 -11.101 1.00 0.00 H new ATOM 0 HB2 ASN A 38 18.374 -10.706 -9.635 1.00 0.00 H new ATOM 0 HB3 ASN A 38 16.782 -11.196 -10.179 1.00 0.00 H new ATOM 0 HD21 ASN A 38 19.827 -10.979 -13.020 1.00 0.00 H new ATOM 0 HD22 ASN A 38 19.907 -9.954 -11.583 1.00 0.00 H new ATOM 606 N THR A 39 14.877 -8.709 -10.825 1.00 0.00 N ATOM 607 CA THR A 39 13.602 -8.600 -11.589 1.00 0.00 C ATOM 608 C THR A 39 13.816 -7.707 -12.813 1.00 0.00 C ATOM 609 O THR A 39 14.874 -7.143 -13.003 1.00 0.00 O ATOM 610 CB THR A 39 12.521 -7.990 -10.693 1.00 0.00 C ATOM 611 OG1 THR A 39 11.402 -7.624 -11.489 1.00 0.00 O ATOM 612 CG2 THR A 39 13.077 -6.751 -9.990 1.00 0.00 C ATOM 0 H THR A 39 14.803 -8.514 -9.827 1.00 0.00 H new ATOM 0 HA THR A 39 13.287 -9.591 -11.914 1.00 0.00 H new ATOM 0 HB THR A 39 12.213 -8.720 -9.945 1.00 0.00 H new ATOM 0 HG1 THR A 39 10.575 -7.845 -11.012 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.306 -6.318 -9.352 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.936 -7.033 -9.381 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.386 -6.018 -10.735 1.00 0.00 H new ATOM 620 N THR A 40 12.819 -7.576 -13.644 1.00 0.00 N ATOM 621 CA THR A 40 12.967 -6.719 -14.854 1.00 0.00 C ATOM 622 C THR A 40 13.294 -5.286 -14.433 1.00 0.00 C ATOM 623 O THR A 40 12.859 -4.819 -13.397 1.00 0.00 O ATOM 624 CB THR A 40 11.657 -6.729 -15.648 1.00 0.00 C ATOM 625 OG1 THR A 40 10.582 -6.386 -14.787 1.00 0.00 O ATOM 626 CG2 THR A 40 11.423 -8.122 -16.233 1.00 0.00 C ATOM 0 H THR A 40 11.909 -8.025 -13.538 1.00 0.00 H new ATOM 0 HA THR A 40 13.775 -7.107 -15.475 1.00 0.00 H new ATOM 0 HB THR A 40 11.717 -6.004 -16.460 1.00 0.00 H new ATOM 0 HG1 THR A 40 9.731 -6.544 -15.247 1.00 0.00 H new ATOM 0 HG21 THR A 40 10.491 -8.128 -16.798 1.00 0.00 H new ATOM 0 HG22 THR A 40 12.249 -8.382 -16.894 1.00 0.00 H new ATOM 0 HG23 THR A 40 11.362 -8.851 -15.425 1.00 0.00 H new ATOM 634 N GLU A 41 14.056 -4.583 -15.225 1.00 0.00 N ATOM 635 CA GLU A 41 14.406 -3.179 -14.867 1.00 0.00 C ATOM 636 C GLU A 41 13.119 -2.375 -14.680 1.00 0.00 C ATOM 637 O GLU A 41 13.011 -1.556 -13.789 1.00 0.00 O ATOM 638 CB GLU A 41 15.239 -2.557 -15.989 1.00 0.00 C ATOM 639 CG GLU A 41 16.566 -3.308 -16.117 1.00 0.00 C ATOM 640 CD GLU A 41 17.726 -2.340 -15.871 1.00 0.00 C ATOM 641 OE1 GLU A 41 18.118 -1.665 -16.809 1.00 0.00 O ATOM 642 OE2 GLU A 41 18.201 -2.291 -14.748 1.00 0.00 O ATOM 0 H GLU A 41 14.451 -4.919 -16.103 1.00 0.00 H new ATOM 0 HA GLU A 41 14.984 -3.169 -13.943 1.00 0.00 H new ATOM 0 HB2 GLU A 41 14.691 -2.602 -16.930 1.00 0.00 H new ATOM 0 HB3 GLU A 41 15.424 -1.504 -15.778 1.00 0.00 H new ATOM 0 HG2 GLU A 41 16.603 -4.127 -15.399 1.00 0.00 H new ATOM 0 HG3 GLU A 41 16.652 -3.750 -17.110 1.00 0.00 H new ATOM 649 N LYS A 42 12.141 -2.604 -15.513 1.00 0.00 N ATOM 650 CA LYS A 42 10.862 -1.855 -15.382 1.00 0.00 C ATOM 651 C LYS A 42 10.316 -2.032 -13.965 1.00 0.00 C ATOM 652 O LYS A 42 9.703 -1.143 -13.408 1.00 0.00 O ATOM 653 CB LYS A 42 9.847 -2.398 -16.391 1.00 0.00 C ATOM 654 CG LYS A 42 9.938 -3.925 -16.434 1.00 0.00 C ATOM 655 CD LYS A 42 8.692 -4.490 -17.122 1.00 0.00 C ATOM 656 CE LYS A 42 7.514 -4.463 -16.147 1.00 0.00 C ATOM 657 NZ LYS A 42 6.359 -3.770 -16.785 1.00 0.00 N ATOM 0 H LYS A 42 12.174 -3.278 -16.278 1.00 0.00 H new ATOM 0 HA LYS A 42 11.037 -0.797 -15.577 1.00 0.00 H new ATOM 0 HB2 LYS A 42 8.839 -2.091 -16.111 1.00 0.00 H new ATOM 0 HB3 LYS A 42 10.043 -1.983 -17.380 1.00 0.00 H new ATOM 0 HG2 LYS A 42 10.835 -4.232 -16.972 1.00 0.00 H new ATOM 0 HG3 LYS A 42 10.021 -4.324 -15.423 1.00 0.00 H new ATOM 0 HD2 LYS A 42 8.456 -3.903 -18.010 1.00 0.00 H new ATOM 0 HD3 LYS A 42 8.879 -5.511 -17.455 1.00 0.00 H new ATOM 0 HE2 LYS A 42 7.234 -5.479 -15.869 1.00 0.00 H new ATOM 0 HE3 LYS A 42 7.799 -3.949 -15.229 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 5.557 -3.751 -16.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 6.630 -2.796 -17.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 6.083 -4.279 -17.649 1.00 0.00 H new ATOM 671 N GLU A 43 10.537 -3.175 -13.372 1.00 0.00 N ATOM 672 CA GLU A 43 10.032 -3.407 -11.989 1.00 0.00 C ATOM 673 C GLU A 43 10.736 -2.453 -11.024 1.00 0.00 C ATOM 674 O GLU A 43 10.116 -1.858 -10.166 1.00 0.00 O ATOM 675 CB GLU A 43 10.314 -4.853 -11.576 1.00 0.00 C ATOM 676 CG GLU A 43 9.674 -5.129 -10.214 1.00 0.00 C ATOM 677 CD GLU A 43 10.618 -4.666 -9.103 1.00 0.00 C ATOM 678 OE1 GLU A 43 11.741 -4.307 -9.419 1.00 0.00 O ATOM 679 OE2 GLU A 43 10.203 -4.677 -7.956 1.00 0.00 O ATOM 0 H GLU A 43 11.045 -3.957 -13.786 1.00 0.00 H new ATOM 0 HA GLU A 43 8.957 -3.226 -11.960 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.916 -5.540 -12.323 1.00 0.00 H new ATOM 0 HB3 GLU A 43 11.389 -5.025 -11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.720 -4.607 -10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 43 9.465 -6.193 -10.108 1.00 0.00 H new ATOM 686 N THR A 44 12.024 -2.289 -11.162 1.00 0.00 N ATOM 687 CA THR A 44 12.736 -1.349 -10.243 1.00 0.00 C ATOM 688 C THR A 44 12.139 0.037 -10.437 1.00 0.00 C ATOM 689 O THR A 44 12.128 0.859 -9.550 1.00 0.00 O ATOM 690 CB THR A 44 14.262 -1.321 -10.509 1.00 0.00 C ATOM 691 OG1 THR A 44 14.934 -1.020 -9.293 1.00 0.00 O ATOM 692 CG2 THR A 44 14.613 -0.249 -11.548 1.00 0.00 C ATOM 0 H THR A 44 12.607 -2.755 -11.857 1.00 0.00 H new ATOM 0 HA THR A 44 12.605 -1.687 -9.215 1.00 0.00 H new ATOM 0 HB THR A 44 14.571 -2.294 -10.890 1.00 0.00 H new ATOM 0 HG1 THR A 44 15.735 -0.489 -9.485 1.00 0.00 H new ATOM 0 HG21 THR A 44 15.689 -0.247 -11.719 1.00 0.00 H new ATOM 0 HG22 THR A 44 14.097 -0.466 -12.483 1.00 0.00 H new ATOM 0 HG23 THR A 44 14.302 0.729 -11.181 1.00 0.00 H new ATOM 700 N PHE A 45 11.650 0.292 -11.607 1.00 0.00 N ATOM 701 CA PHE A 45 11.040 1.618 -11.896 1.00 0.00 C ATOM 702 C PHE A 45 9.708 1.747 -11.155 1.00 0.00 C ATOM 703 O PHE A 45 9.294 2.828 -10.789 1.00 0.00 O ATOM 704 CB PHE A 45 10.811 1.752 -13.399 1.00 0.00 C ATOM 705 CG PHE A 45 12.166 1.869 -14.113 1.00 0.00 C ATOM 706 CD1 PHE A 45 13.368 1.906 -13.371 1.00 0.00 C ATOM 707 CD2 PHE A 45 12.232 1.928 -15.518 1.00 0.00 C ATOM 708 CE1 PHE A 45 14.600 1.997 -14.025 1.00 0.00 C ATOM 709 CE2 PHE A 45 13.472 2.023 -16.163 1.00 0.00 C ATOM 710 CZ PHE A 45 14.652 2.057 -15.416 1.00 0.00 C ATOM 0 H PHE A 45 11.644 -0.365 -12.388 1.00 0.00 H new ATOM 0 HA PHE A 45 11.711 2.408 -11.560 1.00 0.00 H new ATOM 0 HB2 PHE A 45 10.264 0.887 -13.773 1.00 0.00 H new ATOM 0 HB3 PHE A 45 10.200 2.630 -13.608 1.00 0.00 H new ATOM 0 HD1 PHE A 45 13.335 1.864 -12.292 1.00 0.00 H new ATOM 0 HD2 PHE A 45 11.323 1.900 -16.101 1.00 0.00 H new ATOM 0 HE1 PHE A 45 15.514 2.021 -13.450 1.00 0.00 H new ATOM 0 HE2 PHE A 45 13.516 2.070 -17.241 1.00 0.00 H new ATOM 0 HZ PHE A 45 15.606 2.130 -15.917 1.00 0.00 H new ATOM 720 N CYS A 46 9.022 0.653 -10.939 1.00 0.00 N ATOM 721 CA CYS A 46 7.712 0.735 -10.231 1.00 0.00 C ATOM 722 C CYS A 46 7.934 1.081 -8.759 1.00 0.00 C ATOM 723 O CYS A 46 7.356 2.014 -8.240 1.00 0.00 O ATOM 724 CB CYS A 46 6.986 -0.602 -10.322 1.00 0.00 C ATOM 725 SG CYS A 46 5.318 -0.337 -10.974 1.00 0.00 S ATOM 0 H CYS A 46 9.310 -0.284 -11.220 1.00 0.00 H new ATOM 0 HA CYS A 46 7.110 1.512 -10.703 1.00 0.00 H new ATOM 0 HB2 CYS A 46 7.537 -1.284 -10.969 1.00 0.00 H new ATOM 0 HB3 CYS A 46 6.934 -1.068 -9.338 1.00 0.00 H new ATOM 730 N ARG A 47 8.778 0.349 -8.084 1.00 0.00 N ATOM 731 CA ARG A 47 9.046 0.650 -6.650 1.00 0.00 C ATOM 732 C ARG A 47 9.867 1.938 -6.549 1.00 0.00 C ATOM 733 O ARG A 47 9.555 2.837 -5.793 1.00 0.00 O ATOM 734 CB ARG A 47 9.825 -0.507 -6.023 1.00 0.00 C ATOM 735 CG ARG A 47 10.230 -0.137 -4.594 1.00 0.00 C ATOM 736 CD ARG A 47 9.002 0.365 -3.831 1.00 0.00 C ATOM 737 NE ARG A 47 9.402 0.751 -2.449 1.00 0.00 N ATOM 738 CZ ARG A 47 8.628 1.525 -1.739 1.00 0.00 C ATOM 739 NH1 ARG A 47 7.386 1.708 -2.092 1.00 0.00 N ATOM 740 NH2 ARG A 47 9.099 2.118 -0.674 1.00 0.00 N ATOM 0 H ARG A 47 9.293 -0.445 -8.464 1.00 0.00 H new ATOM 0 HA ARG A 47 8.102 0.778 -6.120 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.214 -1.409 -6.017 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.712 -0.727 -6.618 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.656 -1.004 -4.089 1.00 0.00 H new ATOM 0 HG3 ARG A 47 11.001 0.633 -4.611 1.00 0.00 H new ATOM 0 HD2 ARG A 47 8.564 1.220 -4.347 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.239 -0.412 -3.797 1.00 0.00 H new ATOM 0 HE ARG A 47 10.280 0.410 -2.058 1.00 0.00 H new ATOM 0 HH11 ARG A 47 7.019 1.246 -2.924 1.00 0.00 H new ATOM 0 HH12 ARG A 47 6.782 2.313 -1.536 1.00 0.00 H new ATOM 0 HH21 ARG A 47 10.071 1.976 -0.399 1.00 0.00 H new ATOM 0 HH22 ARG A 47 8.495 2.723 -0.118 1.00 0.00 H new ATOM 754 N ALA A 48 10.924 2.013 -7.305 1.00 0.00 N ATOM 755 CA ALA A 48 11.804 3.227 -7.271 1.00 0.00 C ATOM 756 C ALA A 48 10.975 4.477 -7.492 1.00 0.00 C ATOM 757 O ALA A 48 11.050 5.432 -6.751 1.00 0.00 O ATOM 758 CB ALA A 48 12.886 3.148 -8.360 1.00 0.00 C ATOM 0 H ALA A 48 11.224 1.284 -7.952 1.00 0.00 H new ATOM 0 HA ALA A 48 12.283 3.268 -6.293 1.00 0.00 H new ATOM 0 HB1 ALA A 48 13.512 4.039 -8.316 1.00 0.00 H new ATOM 0 HB2 ALA A 48 13.502 2.263 -8.198 1.00 0.00 H new ATOM 0 HB3 ALA A 48 12.412 3.085 -9.340 1.00 0.00 H new ATOM 764 N ALA A 49 10.187 4.469 -8.505 1.00 0.00 N ATOM 765 CA ALA A 49 9.332 5.655 -8.797 1.00 0.00 C ATOM 766 C ALA A 49 8.442 5.918 -7.588 1.00 0.00 C ATOM 767 O ALA A 49 8.076 7.040 -7.301 1.00 0.00 O ATOM 768 CB ALA A 49 8.469 5.394 -10.035 1.00 0.00 C ATOM 0 H ALA A 49 10.087 3.692 -9.158 1.00 0.00 H new ATOM 0 HA ALA A 49 9.960 6.523 -8.995 1.00 0.00 H new ATOM 0 HB1 ALA A 49 7.849 6.268 -10.237 1.00 0.00 H new ATOM 0 HB2 ALA A 49 9.113 5.199 -10.893 1.00 0.00 H new ATOM 0 HB3 ALA A 49 7.830 4.529 -9.857 1.00 0.00 H new ATOM 774 N THR A 50 8.107 4.888 -6.867 1.00 0.00 N ATOM 775 CA THR A 50 7.256 5.066 -5.659 1.00 0.00 C ATOM 776 C THR A 50 8.067 5.792 -4.587 1.00 0.00 C ATOM 777 O THR A 50 7.557 6.616 -3.855 1.00 0.00 O ATOM 778 CB THR A 50 6.831 3.697 -5.123 1.00 0.00 C ATOM 779 OG1 THR A 50 7.239 2.683 -6.027 1.00 0.00 O ATOM 780 CG2 THR A 50 5.310 3.654 -4.962 1.00 0.00 C ATOM 0 H THR A 50 8.386 3.927 -7.062 1.00 0.00 H new ATOM 0 HA THR A 50 6.369 5.645 -5.917 1.00 0.00 H new ATOM 0 HB THR A 50 7.302 3.531 -4.154 1.00 0.00 H new ATOM 0 HG1 THR A 50 6.780 2.805 -6.884 1.00 0.00 H new ATOM 0 HG21 THR A 50 5.012 2.678 -4.580 1.00 0.00 H new ATOM 0 HG22 THR A 50 4.996 4.428 -4.262 1.00 0.00 H new ATOM 0 HG23 THR A 50 4.837 3.825 -5.929 1.00 0.00 H new ATOM 788 N VAL A 51 9.331 5.481 -4.477 1.00 0.00 N ATOM 789 CA VAL A 51 10.170 6.147 -3.442 1.00 0.00 C ATOM 790 C VAL A 51 10.385 7.608 -3.821 1.00 0.00 C ATOM 791 O VAL A 51 10.114 8.493 -3.041 1.00 0.00 O ATOM 792 CB VAL A 51 11.518 5.414 -3.349 1.00 0.00 C ATOM 793 CG1 VAL A 51 12.598 6.337 -2.784 1.00 0.00 C ATOM 794 CG2 VAL A 51 11.376 4.207 -2.433 1.00 0.00 C ATOM 0 H VAL A 51 9.816 4.797 -5.057 1.00 0.00 H new ATOM 0 HA VAL A 51 9.671 6.109 -2.474 1.00 0.00 H new ATOM 0 HB VAL A 51 11.808 5.098 -4.351 1.00 0.00 H new ATOM 0 HG11 VAL A 51 13.544 5.798 -2.727 1.00 0.00 H new ATOM 0 HG12 VAL A 51 12.713 7.204 -3.435 1.00 0.00 H new ATOM 0 HG13 VAL A 51 12.308 6.668 -1.787 1.00 0.00 H new ATOM 0 HG21 VAL A 51 12.331 3.686 -2.366 1.00 0.00 H new ATOM 0 HG22 VAL A 51 11.073 4.538 -1.440 1.00 0.00 H new ATOM 0 HG23 VAL A 51 10.622 3.531 -2.836 1.00 0.00 H new ATOM 804 N LEU A 52 10.833 7.889 -5.012 1.00 0.00 N ATOM 805 CA LEU A 52 11.000 9.314 -5.387 1.00 0.00 C ATOM 806 C LEU A 52 9.623 9.965 -5.285 1.00 0.00 C ATOM 807 O LEU A 52 9.493 11.139 -5.001 1.00 0.00 O ATOM 808 CB LEU A 52 11.551 9.438 -6.810 1.00 0.00 C ATOM 809 CG LEU A 52 10.513 8.952 -7.819 1.00 0.00 C ATOM 810 CD1 LEU A 52 9.498 10.062 -8.082 1.00 0.00 C ATOM 811 CD2 LEU A 52 11.218 8.595 -9.125 1.00 0.00 C ATOM 0 H LEU A 52 11.086 7.207 -5.727 1.00 0.00 H new ATOM 0 HA LEU A 52 11.711 9.807 -4.724 1.00 0.00 H new ATOM 0 HB2 LEU A 52 11.813 10.475 -7.018 1.00 0.00 H new ATOM 0 HB3 LEU A 52 12.465 8.853 -6.907 1.00 0.00 H new ATOM 0 HG LEU A 52 9.998 8.077 -7.423 1.00 0.00 H new ATOM 0 HD11 LEU A 52 8.757 9.715 -8.802 1.00 0.00 H new ATOM 0 HD12 LEU A 52 9.000 10.328 -7.150 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.011 10.937 -8.482 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.484 8.247 -9.851 1.00 0.00 H new ATOM 0 HD22 LEU A 52 11.726 9.476 -9.517 1.00 0.00 H new ATOM 0 HD23 LEU A 52 11.948 7.807 -8.941 1.00 0.00 H new ATOM 823 N ARG A 53 8.586 9.193 -5.501 1.00 0.00 N ATOM 824 CA ARG A 53 7.212 9.743 -5.400 1.00 0.00 C ATOM 825 C ARG A 53 7.006 10.304 -3.991 1.00 0.00 C ATOM 826 O ARG A 53 6.575 11.425 -3.813 1.00 0.00 O ATOM 827 CB ARG A 53 6.195 8.628 -5.655 1.00 0.00 C ATOM 828 CG ARG A 53 4.785 9.220 -5.682 1.00 0.00 C ATOM 829 CD ARG A 53 3.772 8.115 -5.987 1.00 0.00 C ATOM 830 NE ARG A 53 2.480 8.729 -6.402 1.00 0.00 N ATOM 831 CZ ARG A 53 1.390 8.470 -5.732 1.00 0.00 C ATOM 832 NH1 ARG A 53 1.420 8.431 -4.428 1.00 0.00 N ATOM 833 NH2 ARG A 53 0.270 8.251 -6.366 1.00 0.00 N ATOM 0 H ARG A 53 8.639 8.204 -5.743 1.00 0.00 H new ATOM 0 HA ARG A 53 7.075 10.532 -6.139 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.411 8.133 -6.602 1.00 0.00 H new ATOM 0 HB3 ARG A 53 6.268 7.870 -4.875 1.00 0.00 H new ATOM 0 HG2 ARG A 53 4.555 9.683 -4.722 1.00 0.00 H new ATOM 0 HG3 ARG A 53 4.723 10.003 -6.437 1.00 0.00 H new ATOM 0 HD2 ARG A 53 4.150 7.468 -6.778 1.00 0.00 H new ATOM 0 HD3 ARG A 53 3.624 7.489 -5.107 1.00 0.00 H new ATOM 0 HE ARG A 53 2.447 9.352 -7.209 1.00 0.00 H new ATOM 0 HH11 ARG A 53 2.295 8.603 -3.933 1.00 0.00 H new ATOM 0 HH12 ARG A 53 0.569 8.229 -3.904 1.00 0.00 H new ATOM 0 HH21 ARG A 53 0.246 8.282 -7.385 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -0.581 8.049 -5.842 1.00 0.00 H new ATOM 847 N GLN A 54 7.308 9.522 -2.989 1.00 0.00 N ATOM 848 CA GLN A 54 7.127 9.995 -1.582 1.00 0.00 C ATOM 849 C GLN A 54 8.160 11.059 -1.196 1.00 0.00 C ATOM 850 O GLN A 54 7.942 11.861 -0.310 1.00 0.00 O ATOM 851 CB GLN A 54 7.241 8.807 -0.627 1.00 0.00 C ATOM 852 CG GLN A 54 6.212 7.743 -1.011 1.00 0.00 C ATOM 853 CD GLN A 54 5.152 7.637 0.088 1.00 0.00 C ATOM 854 OE1 GLN A 54 5.441 7.850 1.249 1.00 0.00 O ATOM 855 NE2 GLN A 54 3.928 7.314 -0.231 1.00 0.00 N ATOM 0 H GLN A 54 7.673 8.574 -3.083 1.00 0.00 H new ATOM 0 HA GLN A 54 6.139 10.449 -1.509 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.246 8.388 -0.669 1.00 0.00 H new ATOM 0 HB3 GLN A 54 7.075 9.135 0.399 1.00 0.00 H new ATOM 0 HG2 GLN A 54 5.742 8.002 -1.960 1.00 0.00 H new ATOM 0 HG3 GLN A 54 6.704 6.780 -1.151 1.00 0.00 H new ATOM 0 HE21 GLN A 54 3.685 7.135 -1.205 1.00 0.00 H new ATOM 0 HE22 GLN A 54 3.214 7.240 0.494 1.00 0.00 H new ATOM 864 N PHE A 55 9.300 11.019 -1.799 1.00 0.00 N ATOM 865 CA PHE A 55 10.397 11.962 -1.425 1.00 0.00 C ATOM 866 C PHE A 55 10.039 13.438 -1.686 1.00 0.00 C ATOM 867 O PHE A 55 10.173 14.253 -0.803 1.00 0.00 O ATOM 868 CB PHE A 55 11.661 11.584 -2.203 1.00 0.00 C ATOM 869 CG PHE A 55 12.865 12.199 -1.535 1.00 0.00 C ATOM 870 CD1 PHE A 55 13.360 11.651 -0.347 1.00 0.00 C ATOM 871 CD2 PHE A 55 13.489 13.313 -2.106 1.00 0.00 C ATOM 872 CE1 PHE A 55 14.480 12.217 0.270 1.00 0.00 C ATOM 873 CE2 PHE A 55 14.609 13.881 -1.489 1.00 0.00 C ATOM 874 CZ PHE A 55 15.105 13.332 -0.301 1.00 0.00 C ATOM 0 H PHE A 55 9.533 10.367 -2.548 1.00 0.00 H new ATOM 0 HA PHE A 55 10.560 11.870 -0.351 1.00 0.00 H new ATOM 0 HB2 PHE A 55 11.767 10.500 -2.241 1.00 0.00 H new ATOM 0 HB3 PHE A 55 11.585 11.933 -3.233 1.00 0.00 H new ATOM 0 HD1 PHE A 55 12.877 10.791 0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 55 13.106 13.735 -3.024 1.00 0.00 H new ATOM 0 HE1 PHE A 55 14.863 11.794 1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 55 15.090 14.742 -1.929 1.00 0.00 H new ATOM 0 HZ PHE A 55 15.970 13.769 0.175 1.00 0.00 H new ATOM 884 N TYR A 56 9.597 13.817 -2.858 1.00 0.00 N ATOM 885 CA TYR A 56 9.279 15.254 -3.066 1.00 0.00 C ATOM 886 C TYR A 56 8.018 15.643 -2.272 1.00 0.00 C ATOM 887 O TYR A 56 7.951 16.724 -1.729 1.00 0.00 O ATOM 888 CB TYR A 56 9.036 15.562 -4.554 1.00 0.00 C ATOM 889 CG TYR A 56 8.140 14.553 -5.212 1.00 0.00 C ATOM 890 CD1 TYR A 56 6.749 14.697 -5.105 1.00 0.00 C ATOM 891 CD2 TYR A 56 8.677 13.491 -5.939 1.00 0.00 C ATOM 892 CE1 TYR A 56 5.899 13.779 -5.717 1.00 0.00 C ATOM 893 CE2 TYR A 56 7.827 12.574 -6.550 1.00 0.00 C ATOM 894 CZ TYR A 56 6.436 12.713 -6.437 1.00 0.00 C ATOM 895 OH TYR A 56 5.598 11.801 -7.042 1.00 0.00 O ATOM 0 H TYR A 56 9.446 13.206 -3.661 1.00 0.00 H new ATOM 0 HA TYR A 56 10.135 15.831 -2.716 1.00 0.00 H new ATOM 0 HB2 TYR A 56 8.592 16.553 -4.649 1.00 0.00 H new ATOM 0 HB3 TYR A 56 9.992 15.589 -5.077 1.00 0.00 H new ATOM 0 HD1 TYR A 56 6.335 15.523 -4.546 1.00 0.00 H new ATOM 0 HD2 TYR A 56 9.748 13.381 -6.027 1.00 0.00 H new ATOM 0 HE1 TYR A 56 4.828 13.893 -5.634 1.00 0.00 H new ATOM 0 HE2 TYR A 56 8.241 11.751 -7.114 1.00 0.00 H new ATOM 0 HH TYR A 56 4.760 12.243 -7.294 1.00 0.00 H new ATOM 905 N SER A 57 6.998 14.801 -2.214 1.00 0.00 N ATOM 906 CA SER A 57 5.768 15.202 -1.477 1.00 0.00 C ATOM 907 C SER A 57 6.054 15.414 0.017 1.00 0.00 C ATOM 908 O SER A 57 5.673 16.413 0.593 1.00 0.00 O ATOM 909 CB SER A 57 4.714 14.105 -1.633 1.00 0.00 C ATOM 910 OG SER A 57 4.510 13.836 -3.012 1.00 0.00 O ATOM 0 H SER A 57 6.975 13.874 -2.640 1.00 0.00 H new ATOM 0 HA SER A 57 5.410 16.143 -1.894 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.037 13.200 -1.119 1.00 0.00 H new ATOM 0 HB3 SER A 57 3.778 14.417 -1.170 1.00 0.00 H new ATOM 0 HG SER A 57 5.249 14.215 -3.532 1.00 0.00 H new ATOM 916 N HIS A 58 6.690 14.470 0.652 1.00 0.00 N ATOM 917 CA HIS A 58 6.966 14.595 2.115 1.00 0.00 C ATOM 918 C HIS A 58 8.036 15.653 2.411 1.00 0.00 C ATOM 919 O HIS A 58 7.899 16.445 3.321 1.00 0.00 O ATOM 920 CB HIS A 58 7.442 13.242 2.649 1.00 0.00 C ATOM 921 CG HIS A 58 7.023 13.093 4.085 1.00 0.00 C ATOM 922 ND1 HIS A 58 6.355 11.968 4.548 1.00 0.00 N ATOM 923 CD2 HIS A 58 7.169 13.915 5.175 1.00 0.00 C ATOM 924 CE1 HIS A 58 6.128 12.143 5.861 1.00 0.00 C ATOM 925 NE2 HIS A 58 6.604 13.313 6.296 1.00 0.00 N ATOM 0 H HIS A 58 7.033 13.612 0.221 1.00 0.00 H new ATOM 0 HA HIS A 58 6.043 14.906 2.605 1.00 0.00 H new ATOM 0 HB2 HIS A 58 7.020 12.434 2.051 1.00 0.00 H new ATOM 0 HB3 HIS A 58 8.526 13.168 2.566 1.00 0.00 H new ATOM 0 HD2 HIS A 58 7.649 14.882 5.164 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.622 11.425 6.489 1.00 0.00 H new ATOM 0 HE2 HIS A 58 6.562 13.685 7.245 1.00 0.00 H new ATOM 933 N HIS A 59 9.115 15.646 1.682 1.00 0.00 N ATOM 934 CA HIS A 59 10.210 16.614 1.955 1.00 0.00 C ATOM 935 C HIS A 59 9.811 18.043 1.576 1.00 0.00 C ATOM 936 O HIS A 59 10.309 18.985 2.157 1.00 0.00 O ATOM 937 CB HIS A 59 11.446 16.199 1.168 1.00 0.00 C ATOM 938 CG HIS A 59 12.406 15.485 2.080 1.00 0.00 C ATOM 939 ND1 HIS A 59 13.242 16.164 2.952 1.00 0.00 N ATOM 940 CD2 HIS A 59 12.668 14.151 2.271 1.00 0.00 C ATOM 941 CE1 HIS A 59 13.959 15.242 3.623 1.00 0.00 C ATOM 942 NE2 HIS A 59 13.648 14.001 3.246 1.00 0.00 N ATOM 0 H HIS A 59 9.286 15.008 0.905 1.00 0.00 H new ATOM 0 HA HIS A 59 10.419 16.603 3.025 1.00 0.00 H new ATOM 0 HB2 HIS A 59 11.162 15.549 0.341 1.00 0.00 H new ATOM 0 HB3 HIS A 59 11.925 17.076 0.734 1.00 0.00 H new ATOM 0 HD2 HIS A 59 12.186 13.341 1.744 1.00 0.00 H new ATOM 0 HE1 HIS A 59 14.697 15.479 4.375 1.00 0.00 H new ATOM 0 HE2 HIS A 59 14.044 13.129 3.597 1.00 0.00 H new ATOM 950 N GLU A 60 8.942 18.214 0.601 1.00 0.00 N ATOM 951 CA GLU A 60 8.530 19.596 0.180 1.00 0.00 C ATOM 952 C GLU A 60 8.602 20.553 1.370 1.00 0.00 C ATOM 953 O GLU A 60 9.164 21.626 1.287 1.00 0.00 O ATOM 954 CB GLU A 60 7.099 19.562 -0.353 1.00 0.00 C ATOM 955 CG GLU A 60 7.118 19.154 -1.825 1.00 0.00 C ATOM 956 CD GLU A 60 6.450 20.245 -2.665 1.00 0.00 C ATOM 957 OE1 GLU A 60 5.236 20.356 -2.600 1.00 0.00 O ATOM 958 OE2 GLU A 60 7.163 20.951 -3.360 1.00 0.00 O ATOM 0 H GLU A 60 8.501 17.456 0.080 1.00 0.00 H new ATOM 0 HA GLU A 60 9.207 19.944 -0.600 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.501 18.857 0.224 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.634 20.541 -0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.145 19.001 -2.158 1.00 0.00 H new ATOM 0 HG3 GLU A 60 6.595 18.207 -1.958 1.00 0.00 H new ATOM 965 N LYS A 61 8.052 20.161 2.483 1.00 0.00 N ATOM 966 CA LYS A 61 8.105 21.034 3.688 1.00 0.00 C ATOM 967 C LYS A 61 8.416 20.178 4.918 1.00 0.00 C ATOM 968 O LYS A 61 7.549 19.524 5.460 1.00 0.00 O ATOM 969 CB LYS A 61 6.753 21.727 3.876 1.00 0.00 C ATOM 970 CG LYS A 61 6.277 22.290 2.536 1.00 0.00 C ATOM 971 CD LYS A 61 4.999 23.105 2.749 1.00 0.00 C ATOM 972 CE LYS A 61 4.328 23.364 1.398 1.00 0.00 C ATOM 973 NZ LYS A 61 2.869 23.590 1.604 1.00 0.00 N ATOM 0 H LYS A 61 7.567 19.273 2.611 1.00 0.00 H new ATOM 0 HA LYS A 61 8.883 21.787 3.561 1.00 0.00 H new ATOM 0 HB2 LYS A 61 6.021 21.020 4.266 1.00 0.00 H new ATOM 0 HB3 LYS A 61 6.842 22.529 4.608 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.052 22.918 2.097 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.090 21.477 1.834 1.00 0.00 H new ATOM 0 HD2 LYS A 61 4.318 22.567 3.408 1.00 0.00 H new ATOM 0 HD3 LYS A 61 5.235 24.051 3.237 1.00 0.00 H new ATOM 0 HE2 LYS A 61 4.777 24.233 0.917 1.00 0.00 H new ATOM 0 HE3 LYS A 61 4.485 22.515 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 2.412 23.766 0.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.446 22.749 2.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.729 24.413 2.224 1.00 0.00 H new ATOM 987 N ASP A 62 9.647 20.170 5.370 1.00 0.00 N ATOM 988 CA ASP A 62 9.981 19.344 6.564 1.00 0.00 C ATOM 989 C ASP A 62 11.272 19.848 7.198 1.00 0.00 C ATOM 990 O ASP A 62 11.922 19.153 7.953 1.00 0.00 O ATOM 991 CB ASP A 62 10.147 17.883 6.145 1.00 0.00 C ATOM 992 CG ASP A 62 9.744 16.971 7.306 1.00 0.00 C ATOM 993 OD1 ASP A 62 9.575 17.478 8.402 1.00 0.00 O ATOM 994 OD2 ASP A 62 9.610 15.779 7.078 1.00 0.00 O ATOM 0 H ASP A 62 10.424 20.694 4.967 1.00 0.00 H new ATOM 0 HA ASP A 62 9.174 19.422 7.292 1.00 0.00 H new ATOM 0 HB2 ASP A 62 9.530 17.672 5.271 1.00 0.00 H new ATOM 0 HB3 ASP A 62 11.181 17.691 5.859 1.00 0.00 H new ATOM 999 N THR A 63 11.634 21.058 6.893 1.00 0.00 N ATOM 1000 CA THR A 63 12.882 21.649 7.464 1.00 0.00 C ATOM 1001 C THR A 63 13.968 20.579 7.503 1.00 0.00 C ATOM 1002 O THR A 63 14.835 20.584 8.355 1.00 0.00 O ATOM 1003 CB THR A 63 12.608 22.156 8.881 1.00 0.00 C ATOM 1004 OG1 THR A 63 13.803 22.698 9.427 1.00 0.00 O ATOM 1005 CG2 THR A 63 12.124 20.999 9.756 1.00 0.00 C ATOM 0 H THR A 63 11.116 21.674 6.266 1.00 0.00 H new ATOM 0 HA THR A 63 13.211 22.483 6.844 1.00 0.00 H new ATOM 0 HB THR A 63 11.839 22.928 8.848 1.00 0.00 H new ATOM 0 HG1 THR A 63 14.559 22.116 9.202 1.00 0.00 H new ATOM 0 HG21 THR A 63 11.929 21.363 10.765 1.00 0.00 H new ATOM 0 HG22 THR A 63 11.207 20.584 9.337 1.00 0.00 H new ATOM 0 HG23 THR A 63 12.890 20.224 9.791 1.00 0.00 H new ATOM 1013 N ARG A 64 13.918 19.656 6.588 1.00 0.00 N ATOM 1014 CA ARG A 64 14.939 18.571 6.569 1.00 0.00 C ATOM 1015 C ARG A 64 16.314 19.158 6.241 1.00 0.00 C ATOM 1016 O ARG A 64 17.026 19.615 7.113 1.00 0.00 O ATOM 1017 CB ARG A 64 14.558 17.530 5.515 1.00 0.00 C ATOM 1018 CG ARG A 64 13.453 16.628 6.069 1.00 0.00 C ATOM 1019 CD ARG A 64 14.071 15.345 6.626 1.00 0.00 C ATOM 1020 NE ARG A 64 13.868 15.293 8.101 1.00 0.00 N ATOM 1021 CZ ARG A 64 14.743 14.695 8.861 1.00 0.00 C ATOM 1022 NH1 ARG A 64 15.220 13.530 8.514 1.00 0.00 N ATOM 1023 NH2 ARG A 64 15.144 15.261 9.967 1.00 0.00 N ATOM 0 H ARG A 64 13.215 19.604 5.851 1.00 0.00 H new ATOM 0 HA ARG A 64 14.979 18.096 7.549 1.00 0.00 H new ATOM 0 HB2 ARG A 64 14.217 18.025 4.606 1.00 0.00 H new ATOM 0 HB3 ARG A 64 15.429 16.933 5.246 1.00 0.00 H new ATOM 0 HG2 ARG A 64 12.903 17.149 6.853 1.00 0.00 H new ATOM 0 HG3 ARG A 64 12.737 16.388 5.283 1.00 0.00 H new ATOM 0 HD2 ARG A 64 13.614 14.475 6.155 1.00 0.00 H new ATOM 0 HD3 ARG A 64 15.135 15.311 6.394 1.00 0.00 H new ATOM 0 HE ARG A 64 13.043 15.726 8.517 1.00 0.00 H new ATOM 0 HH11 ARG A 64 14.908 13.088 7.649 1.00 0.00 H new ATOM 0 HH12 ARG A 64 15.904 13.062 9.108 1.00 0.00 H new ATOM 0 HH21 ARG A 64 14.773 16.172 10.237 1.00 0.00 H new ATOM 0 HH22 ARG A 64 15.828 14.792 10.561 1.00 0.00 H new ATOM 1037 N CYS A 65 16.698 19.147 4.993 1.00 0.00 N ATOM 1038 CA CYS A 65 18.031 19.703 4.625 1.00 0.00 C ATOM 1039 C CYS A 65 17.900 21.194 4.306 1.00 0.00 C ATOM 1040 O CYS A 65 18.728 21.766 3.627 1.00 0.00 O ATOM 1041 CB CYS A 65 18.578 18.964 3.402 1.00 0.00 C ATOM 1042 SG CYS A 65 17.318 18.917 2.102 1.00 0.00 S ATOM 0 H CYS A 65 16.149 18.779 4.216 1.00 0.00 H new ATOM 0 HA CYS A 65 18.716 19.573 5.463 1.00 0.00 H new ATOM 0 HB2 CYS A 65 19.475 19.463 3.035 1.00 0.00 H new ATOM 0 HB3 CYS A 65 18.868 17.950 3.678 1.00 0.00 H new ATOM 1047 N LEU A 66 16.871 21.830 4.797 1.00 0.00 N ATOM 1048 CA LEU A 66 16.701 23.285 4.523 1.00 0.00 C ATOM 1049 C LEU A 66 17.390 24.086 5.628 1.00 0.00 C ATOM 1050 O LEU A 66 16.868 24.239 6.714 1.00 0.00 O ATOM 1051 CB LEU A 66 15.211 23.629 4.496 1.00 0.00 C ATOM 1052 CG LEU A 66 14.638 23.304 3.115 1.00 0.00 C ATOM 1053 CD1 LEU A 66 14.329 21.809 3.028 1.00 0.00 C ATOM 1054 CD2 LEU A 66 13.352 24.104 2.894 1.00 0.00 C ATOM 0 H LEU A 66 16.144 21.407 5.374 1.00 0.00 H new ATOM 0 HA LEU A 66 17.145 23.532 3.559 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.682 23.063 5.263 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.066 24.685 4.722 1.00 0.00 H new ATOM 0 HG LEU A 66 15.367 23.569 2.349 1.00 0.00 H new ATOM 0 HD11 LEU A 66 13.921 21.578 2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 66 15.245 21.239 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 66 13.601 21.543 3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 66 12.944 23.872 1.910 1.00 0.00 H new ATOM 0 HD22 LEU A 66 12.623 23.840 3.660 1.00 0.00 H new ATOM 0 HD23 LEU A 66 13.572 25.170 2.954 1.00 0.00 H new ATOM 1066 N GLY A 67 18.565 24.594 5.367 1.00 0.00 N ATOM 1067 CA GLY A 67 19.281 25.377 6.412 1.00 0.00 C ATOM 1068 C GLY A 67 18.461 26.623 6.777 1.00 0.00 C ATOM 1069 O GLY A 67 18.067 26.793 7.914 1.00 0.00 O ATOM 0 H GLY A 67 19.057 24.500 4.479 1.00 0.00 H new ATOM 0 HA2 GLY A 67 19.439 24.761 7.297 1.00 0.00 H new ATOM 0 HA3 GLY A 67 20.266 25.671 6.049 1.00 0.00 H new ATOM 1073 N ALA A 68 18.197 27.493 5.824 1.00 0.00 N ATOM 1074 CA ALA A 68 17.402 28.725 6.125 1.00 0.00 C ATOM 1075 C ALA A 68 17.701 29.799 5.075 1.00 0.00 C ATOM 1076 O ALA A 68 16.807 30.422 4.536 1.00 0.00 O ATOM 1077 CB ALA A 68 17.780 29.264 7.507 1.00 0.00 C ATOM 0 H ALA A 68 18.499 27.400 4.854 1.00 0.00 H new ATOM 0 HA ALA A 68 16.341 28.474 6.107 1.00 0.00 H new ATOM 0 HB1 ALA A 68 17.198 30.161 7.720 1.00 0.00 H new ATOM 0 HB2 ALA A 68 17.570 28.507 8.263 1.00 0.00 H new ATOM 0 HB3 ALA A 68 18.842 29.509 7.524 1.00 0.00 H new ATOM 1083 N THR A 69 18.954 30.022 4.781 1.00 0.00 N ATOM 1084 CA THR A 69 19.316 31.053 3.770 1.00 0.00 C ATOM 1085 C THR A 69 18.382 30.942 2.564 1.00 0.00 C ATOM 1086 O THR A 69 18.036 29.853 2.155 1.00 0.00 O ATOM 1087 CB THR A 69 20.757 30.818 3.311 1.00 0.00 C ATOM 1088 OG1 THR A 69 21.611 30.763 4.445 1.00 0.00 O ATOM 1089 CG2 THR A 69 21.196 31.959 2.393 1.00 0.00 C ATOM 0 H THR A 69 19.744 29.532 5.200 1.00 0.00 H new ATOM 0 HA THR A 69 19.221 32.045 4.212 1.00 0.00 H new ATOM 0 HB THR A 69 20.815 29.876 2.766 1.00 0.00 H new ATOM 0 HG1 THR A 69 22.534 30.611 4.152 1.00 0.00 H new ATOM 0 HG21 THR A 69 22.222 31.790 2.067 1.00 0.00 H new ATOM 0 HG22 THR A 69 20.541 31.998 1.523 1.00 0.00 H new ATOM 0 HG23 THR A 69 21.138 32.904 2.934 1.00 0.00 H new ATOM 1097 N ALA A 70 17.989 32.042 1.960 1.00 0.00 N ATOM 1098 CA ALA A 70 17.119 31.929 0.766 1.00 0.00 C ATOM 1099 C ALA A 70 17.765 30.899 -0.157 1.00 0.00 C ATOM 1100 O ALA A 70 17.104 30.230 -0.925 1.00 0.00 O ATOM 1101 CB ALA A 70 17.030 33.282 0.057 1.00 0.00 C ATOM 0 H ALA A 70 18.233 32.991 2.243 1.00 0.00 H new ATOM 0 HA ALA A 70 16.110 31.626 1.044 1.00 0.00 H new ATOM 0 HB1 ALA A 70 16.389 33.192 -0.820 1.00 0.00 H new ATOM 0 HB2 ALA A 70 16.611 34.023 0.738 1.00 0.00 H new ATOM 0 HB3 ALA A 70 18.027 33.597 -0.253 1.00 0.00 H new ATOM 1107 N GLN A 71 19.066 30.762 -0.067 1.00 0.00 N ATOM 1108 CA GLN A 71 19.765 29.766 -0.923 1.00 0.00 C ATOM 1109 C GLN A 71 19.241 28.372 -0.576 1.00 0.00 C ATOM 1110 O GLN A 71 18.844 27.617 -1.436 1.00 0.00 O ATOM 1111 CB GLN A 71 21.271 29.828 -0.660 1.00 0.00 C ATOM 1112 CG GLN A 71 21.984 28.803 -1.545 1.00 0.00 C ATOM 1113 CD GLN A 71 22.033 29.319 -2.984 1.00 0.00 C ATOM 1114 OE1 GLN A 71 22.918 30.072 -3.343 1.00 0.00 O ATOM 1115 NE2 GLN A 71 21.114 28.941 -3.831 1.00 0.00 N ATOM 0 H GLN A 71 19.667 31.296 0.560 1.00 0.00 H new ATOM 0 HA GLN A 71 19.580 29.984 -1.975 1.00 0.00 H new ATOM 0 HB2 GLN A 71 21.647 30.830 -0.869 1.00 0.00 H new ATOM 0 HB3 GLN A 71 21.477 29.623 0.391 1.00 0.00 H new ATOM 0 HG2 GLN A 71 22.994 28.628 -1.175 1.00 0.00 H new ATOM 0 HG3 GLN A 71 21.461 27.848 -1.507 1.00 0.00 H new ATOM 0 HE21 GLN A 71 20.372 28.309 -3.530 1.00 0.00 H new ATOM 0 HE22 GLN A 71 21.138 29.277 -4.794 1.00 0.00 H new ATOM 1124 N GLN A 72 19.221 28.035 0.685 1.00 0.00 N ATOM 1125 CA GLN A 72 18.702 26.700 1.089 1.00 0.00 C ATOM 1126 C GLN A 72 17.321 26.503 0.449 1.00 0.00 C ATOM 1127 O GLN A 72 16.939 25.409 0.085 1.00 0.00 O ATOM 1128 CB GLN A 72 18.620 26.638 2.638 1.00 0.00 C ATOM 1129 CG GLN A 72 17.234 26.173 3.110 1.00 0.00 C ATOM 1130 CD GLN A 72 16.224 27.310 2.946 1.00 0.00 C ATOM 1131 OE1 GLN A 72 16.521 28.450 3.238 1.00 0.00 O ATOM 1132 NE2 GLN A 72 15.031 27.045 2.488 1.00 0.00 N ATOM 0 H GLN A 72 19.542 28.627 1.451 1.00 0.00 H new ATOM 0 HA GLN A 72 19.363 25.902 0.750 1.00 0.00 H new ATOM 0 HB2 GLN A 72 19.382 25.957 3.017 1.00 0.00 H new ATOM 0 HB3 GLN A 72 18.836 27.622 3.055 1.00 0.00 H new ATOM 0 HG2 GLN A 72 16.915 25.305 2.533 1.00 0.00 H new ATOM 0 HG3 GLN A 72 17.280 25.863 4.154 1.00 0.00 H new ATOM 0 HE21 GLN A 72 14.780 26.087 2.242 1.00 0.00 H new ATOM 0 HE22 GLN A 72 14.349 27.796 2.376 1.00 0.00 H new ATOM 1141 N PHE A 73 16.570 27.563 0.326 1.00 0.00 N ATOM 1142 CA PHE A 73 15.207 27.461 -0.272 1.00 0.00 C ATOM 1143 C PHE A 73 15.288 27.173 -1.778 1.00 0.00 C ATOM 1144 O PHE A 73 14.512 26.405 -2.309 1.00 0.00 O ATOM 1145 CB PHE A 73 14.460 28.780 -0.052 1.00 0.00 C ATOM 1146 CG PHE A 73 13.003 28.598 -0.403 1.00 0.00 C ATOM 1147 CD1 PHE A 73 12.312 27.466 0.044 1.00 0.00 C ATOM 1148 CD2 PHE A 73 12.344 29.559 -1.177 1.00 0.00 C ATOM 1149 CE1 PHE A 73 10.961 27.295 -0.281 1.00 0.00 C ATOM 1150 CE2 PHE A 73 10.993 29.390 -1.504 1.00 0.00 C ATOM 1151 CZ PHE A 73 10.301 28.258 -1.056 1.00 0.00 C ATOM 0 H PHE A 73 16.843 28.502 0.616 1.00 0.00 H new ATOM 0 HA PHE A 73 14.677 26.640 0.211 1.00 0.00 H new ATOM 0 HB2 PHE A 73 14.558 29.097 0.986 1.00 0.00 H new ATOM 0 HB3 PHE A 73 14.898 29.565 -0.668 1.00 0.00 H new ATOM 0 HD1 PHE A 73 12.822 26.724 0.640 1.00 0.00 H new ATOM 0 HD2 PHE A 73 12.878 30.432 -1.523 1.00 0.00 H new ATOM 0 HE1 PHE A 73 10.428 26.422 0.065 1.00 0.00 H new ATOM 0 HE2 PHE A 73 10.485 30.132 -2.102 1.00 0.00 H new ATOM 0 HZ PHE A 73 9.259 28.127 -1.308 1.00 0.00 H new ATOM 1161 N HIS A 74 16.192 27.804 -2.480 1.00 0.00 N ATOM 1162 CA HIS A 74 16.286 27.584 -3.953 1.00 0.00 C ATOM 1163 C HIS A 74 16.774 26.182 -4.271 1.00 0.00 C ATOM 1164 O HIS A 74 16.311 25.537 -5.186 1.00 0.00 O ATOM 1165 CB HIS A 74 17.254 28.601 -4.551 1.00 0.00 C ATOM 1166 CG HIS A 74 16.975 28.756 -6.019 1.00 0.00 C ATOM 1167 ND1 HIS A 74 16.124 29.730 -6.514 1.00 0.00 N ATOM 1168 CD2 HIS A 74 17.429 28.064 -7.113 1.00 0.00 C ATOM 1169 CE1 HIS A 74 16.093 29.600 -7.853 1.00 0.00 C ATOM 1170 NE2 HIS A 74 16.870 28.598 -8.270 1.00 0.00 N ATOM 0 H HIS A 74 16.870 28.463 -2.097 1.00 0.00 H new ATOM 0 HA HIS A 74 15.292 27.706 -4.383 1.00 0.00 H new ATOM 0 HB2 HIS A 74 17.147 29.561 -4.046 1.00 0.00 H new ATOM 0 HB3 HIS A 74 18.282 28.274 -4.398 1.00 0.00 H new ATOM 0 HD2 HIS A 74 18.116 27.231 -7.081 1.00 0.00 H new ATOM 0 HE1 HIS A 74 15.511 30.229 -8.510 1.00 0.00 H new ATOM 0 HE2 HIS A 74 17.021 28.290 -9.230 1.00 0.00 H new ATOM 1178 N ARG A 75 17.709 25.727 -3.529 1.00 0.00 N ATOM 1179 CA ARG A 75 18.269 24.366 -3.764 1.00 0.00 C ATOM 1180 C ARG A 75 17.212 23.313 -3.429 1.00 0.00 C ATOM 1181 O ARG A 75 17.108 22.295 -4.085 1.00 0.00 O ATOM 1182 CB ARG A 75 19.497 24.157 -2.878 1.00 0.00 C ATOM 1183 CG ARG A 75 20.678 23.706 -3.740 1.00 0.00 C ATOM 1184 CD ARG A 75 21.915 24.539 -3.394 1.00 0.00 C ATOM 1185 NE ARG A 75 23.133 23.687 -3.503 1.00 0.00 N ATOM 1186 CZ ARG A 75 24.144 24.082 -4.227 1.00 0.00 C ATOM 1187 NH1 ARG A 75 24.001 24.244 -5.514 1.00 0.00 N ATOM 1188 NH2 ARG A 75 25.300 24.312 -3.666 1.00 0.00 N ATOM 0 H ARG A 75 18.129 26.236 -2.751 1.00 0.00 H new ATOM 0 HA ARG A 75 18.558 24.270 -4.811 1.00 0.00 H new ATOM 0 HB2 ARG A 75 19.745 25.082 -2.358 1.00 0.00 H new ATOM 0 HB3 ARG A 75 19.284 23.409 -2.114 1.00 0.00 H new ATOM 0 HG2 ARG A 75 20.881 22.648 -3.572 1.00 0.00 H new ATOM 0 HG3 ARG A 75 20.434 23.820 -4.796 1.00 0.00 H new ATOM 0 HD2 ARG A 75 21.993 25.392 -4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 75 21.827 24.939 -2.384 1.00 0.00 H new ATOM 0 HE ARG A 75 23.176 22.794 -3.011 1.00 0.00 H new ATOM 0 HH11 ARG A 75 23.099 24.062 -5.954 1.00 0.00 H new ATOM 0 HH12 ARG A 75 24.791 24.553 -6.080 1.00 0.00 H new ATOM 0 HH21 ARG A 75 25.414 24.183 -2.661 1.00 0.00 H new ATOM 0 HH22 ARG A 75 26.090 24.621 -4.233 1.00 0.00 H new ATOM 1202 N HIS A 76 16.427 23.547 -2.415 1.00 0.00 N ATOM 1203 CA HIS A 76 15.378 22.558 -2.041 1.00 0.00 C ATOM 1204 C HIS A 76 14.279 22.547 -3.106 1.00 0.00 C ATOM 1205 O HIS A 76 13.820 21.505 -3.526 1.00 0.00 O ATOM 1206 CB HIS A 76 14.774 22.943 -0.687 1.00 0.00 C ATOM 1207 CG HIS A 76 13.533 22.129 -0.438 1.00 0.00 C ATOM 1208 ND1 HIS A 76 13.517 20.750 -0.561 1.00 0.00 N ATOM 1209 CD2 HIS A 76 12.260 22.489 -0.074 1.00 0.00 C ATOM 1210 CE1 HIS A 76 12.269 20.331 -0.275 1.00 0.00 C ATOM 1211 NE2 HIS A 76 11.463 21.353 0.028 1.00 0.00 N ATOM 0 H HIS A 76 16.466 24.381 -1.829 1.00 0.00 H new ATOM 0 HA HIS A 76 15.824 21.566 -1.972 1.00 0.00 H new ATOM 0 HB2 HIS A 76 15.499 22.771 0.108 1.00 0.00 H new ATOM 0 HB3 HIS A 76 14.533 24.006 -0.674 1.00 0.00 H new ATOM 0 HD2 HIS A 76 11.927 23.501 0.106 1.00 0.00 H new ATOM 0 HE1 HIS A 76 11.958 19.297 -0.289 1.00 0.00 H new ATOM 0 HE2 HIS A 76 10.476 21.310 0.280 1.00 0.00 H new ATOM 1219 N LYS A 77 13.848 23.700 -3.540 1.00 0.00 N ATOM 1220 CA LYS A 77 12.769 23.759 -4.568 1.00 0.00 C ATOM 1221 C LYS A 77 13.289 23.276 -5.926 1.00 0.00 C ATOM 1222 O LYS A 77 12.543 22.765 -6.734 1.00 0.00 O ATOM 1223 CB LYS A 77 12.276 25.200 -4.701 1.00 0.00 C ATOM 1224 CG LYS A 77 11.494 25.591 -3.444 1.00 0.00 C ATOM 1225 CD LYS A 77 10.255 26.394 -3.842 1.00 0.00 C ATOM 1226 CE LYS A 77 9.031 25.475 -3.846 1.00 0.00 C ATOM 1227 NZ LYS A 77 8.126 25.860 -4.965 1.00 0.00 N ATOM 0 H LYS A 77 14.197 24.606 -3.227 1.00 0.00 H new ATOM 0 HA LYS A 77 11.951 23.110 -4.254 1.00 0.00 H new ATOM 0 HB2 LYS A 77 13.122 25.873 -4.840 1.00 0.00 H new ATOM 0 HB3 LYS A 77 11.642 25.299 -5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 77 11.200 24.697 -2.894 1.00 0.00 H new ATOM 0 HG3 LYS A 77 12.125 26.181 -2.780 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.103 27.217 -3.144 1.00 0.00 H new ATOM 0 HD3 LYS A 77 10.396 26.835 -4.829 1.00 0.00 H new ATOM 0 HE2 LYS A 77 9.343 24.436 -3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 77 8.503 25.550 -2.895 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.294 25.236 -4.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.819 26.846 -4.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.632 25.767 -5.869 1.00 0.00 H new ATOM 1241 N GLN A 78 14.551 23.451 -6.198 1.00 0.00 N ATOM 1242 CA GLN A 78 15.102 23.021 -7.516 1.00 0.00 C ATOM 1243 C GLN A 78 15.140 21.492 -7.613 1.00 0.00 C ATOM 1244 O GLN A 78 14.697 20.914 -8.584 1.00 0.00 O ATOM 1245 CB GLN A 78 16.518 23.575 -7.677 1.00 0.00 C ATOM 1246 CG GLN A 78 17.170 22.957 -8.916 1.00 0.00 C ATOM 1247 CD GLN A 78 17.551 24.065 -9.899 1.00 0.00 C ATOM 1248 OE1 GLN A 78 16.735 24.500 -10.688 1.00 0.00 O ATOM 1249 NE2 GLN A 78 18.766 24.543 -9.889 1.00 0.00 N ATOM 0 H GLN A 78 15.228 23.874 -5.564 1.00 0.00 H new ATOM 0 HA GLN A 78 14.458 23.405 -8.307 1.00 0.00 H new ATOM 0 HB2 GLN A 78 16.487 24.660 -7.773 1.00 0.00 H new ATOM 0 HB3 GLN A 78 17.111 23.350 -6.790 1.00 0.00 H new ATOM 0 HG2 GLN A 78 18.056 22.390 -8.629 1.00 0.00 H new ATOM 0 HG3 GLN A 78 16.483 22.256 -9.390 1.00 0.00 H new ATOM 0 HE21 GLN A 78 19.452 24.179 -9.228 1.00 0.00 H new ATOM 0 HE22 GLN A 78 19.029 25.280 -10.543 1.00 0.00 H new ATOM 1258 N LEU A 79 15.677 20.833 -6.623 1.00 0.00 N ATOM 1259 CA LEU A 79 15.753 19.349 -6.672 1.00 0.00 C ATOM 1260 C LEU A 79 14.362 18.763 -6.518 1.00 0.00 C ATOM 1261 O LEU A 79 13.992 17.875 -7.236 1.00 0.00 O ATOM 1262 CB LEU A 79 16.660 18.838 -5.551 1.00 0.00 C ATOM 1263 CG LEU A 79 18.110 19.210 -5.860 1.00 0.00 C ATOM 1264 CD1 LEU A 79 18.568 20.319 -4.912 1.00 0.00 C ATOM 1265 CD2 LEU A 79 19.000 17.980 -5.675 1.00 0.00 C ATOM 0 H LEU A 79 16.066 21.260 -5.782 1.00 0.00 H new ATOM 0 HA LEU A 79 16.168 19.041 -7.632 1.00 0.00 H new ATOM 0 HB2 LEU A 79 16.357 19.271 -4.598 1.00 0.00 H new ATOM 0 HB3 LEU A 79 16.563 17.757 -5.455 1.00 0.00 H new ATOM 0 HG LEU A 79 18.183 19.562 -6.889 1.00 0.00 H new ATOM 0 HD11 LEU A 79 19.602 20.583 -5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 79 17.933 21.195 -5.044 1.00 0.00 H new ATOM 0 HD13 LEU A 79 18.495 19.970 -3.882 1.00 0.00 H new ATOM 0 HD21 LEU A 79 20.035 18.243 -5.895 1.00 0.00 H new ATOM 0 HD22 LEU A 79 18.926 17.629 -4.646 1.00 0.00 H new ATOM 0 HD23 LEU A 79 18.675 17.190 -6.352 1.00 0.00 H new ATOM 1277 N ILE A 80 13.593 19.250 -5.592 1.00 0.00 N ATOM 1278 CA ILE A 80 12.211 18.720 -5.409 1.00 0.00 C ATOM 1279 C ILE A 80 11.399 19.009 -6.679 1.00 0.00 C ATOM 1280 O ILE A 80 10.543 18.238 -7.065 1.00 0.00 O ATOM 1281 CB ILE A 80 11.592 19.427 -4.189 1.00 0.00 C ATOM 1282 CG1 ILE A 80 11.626 18.493 -2.977 1.00 0.00 C ATOM 1283 CG2 ILE A 80 10.142 19.838 -4.455 1.00 0.00 C ATOM 1284 CD1 ILE A 80 12.990 17.808 -2.884 1.00 0.00 C ATOM 0 H ILE A 80 13.859 19.996 -4.949 1.00 0.00 H new ATOM 0 HA ILE A 80 12.216 17.643 -5.239 1.00 0.00 H new ATOM 0 HB ILE A 80 12.179 20.325 -3.994 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.431 19.059 -2.066 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.839 17.744 -3.062 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.737 20.334 -3.573 1.00 0.00 H new ATOM 0 HG22 ILE A 80 10.107 20.521 -5.304 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.548 18.952 -4.678 1.00 0.00 H new ATOM 0 HD11 ILE A 80 13.006 17.145 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 80 13.168 17.228 -3.789 1.00 0.00 H new ATOM 0 HD13 ILE A 80 13.769 18.562 -2.777 1.00 0.00 H new ATOM 1296 N ARG A 81 11.666 20.105 -7.333 1.00 0.00 N ATOM 1297 CA ARG A 81 10.909 20.420 -8.580 1.00 0.00 C ATOM 1298 C ARG A 81 11.253 19.361 -9.613 1.00 0.00 C ATOM 1299 O ARG A 81 10.394 18.730 -10.197 1.00 0.00 O ATOM 1300 CB ARG A 81 11.326 21.792 -9.108 1.00 0.00 C ATOM 1301 CG ARG A 81 10.426 22.184 -10.281 1.00 0.00 C ATOM 1302 CD ARG A 81 9.417 23.238 -9.821 1.00 0.00 C ATOM 1303 NE ARG A 81 9.569 24.466 -10.653 1.00 0.00 N ATOM 1304 CZ ARG A 81 10.202 25.503 -10.179 1.00 0.00 C ATOM 1305 NH1 ARG A 81 11.476 25.421 -9.907 1.00 0.00 N ATOM 1306 NH2 ARG A 81 9.563 26.621 -9.973 1.00 0.00 N ATOM 0 H ARG A 81 12.369 20.792 -7.062 1.00 0.00 H new ATOM 0 HA ARG A 81 9.838 20.431 -8.378 1.00 0.00 H new ATOM 0 HB2 ARG A 81 11.252 22.536 -8.315 1.00 0.00 H new ATOM 0 HB3 ARG A 81 12.368 21.769 -9.427 1.00 0.00 H new ATOM 0 HG2 ARG A 81 11.029 22.576 -11.100 1.00 0.00 H new ATOM 0 HG3 ARG A 81 9.903 21.306 -10.661 1.00 0.00 H new ATOM 0 HD2 ARG A 81 8.403 22.849 -9.909 1.00 0.00 H new ATOM 0 HD3 ARG A 81 9.577 23.476 -8.769 1.00 0.00 H new ATOM 0 HE ARG A 81 9.177 24.495 -11.594 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.976 24.546 -10.065 1.00 0.00 H new ATOM 0 HH12 ARG A 81 11.972 26.232 -9.536 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.567 26.685 -10.183 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.059 27.431 -9.602 1.00 0.00 H new ATOM 1320 N PHE A 82 12.518 19.140 -9.807 1.00 0.00 N ATOM 1321 CA PHE A 82 12.970 18.112 -10.751 1.00 0.00 C ATOM 1322 C PHE A 82 12.562 16.748 -10.191 1.00 0.00 C ATOM 1323 O PHE A 82 12.345 15.805 -10.923 1.00 0.00 O ATOM 1324 CB PHE A 82 14.485 18.230 -10.888 1.00 0.00 C ATOM 1325 CG PHE A 82 14.816 19.175 -12.019 1.00 0.00 C ATOM 1326 CD1 PHE A 82 14.437 18.861 -13.329 1.00 0.00 C ATOM 1327 CD2 PHE A 82 15.501 20.368 -11.755 1.00 0.00 C ATOM 1328 CE1 PHE A 82 14.742 19.739 -14.376 1.00 0.00 C ATOM 1329 CE2 PHE A 82 15.806 21.246 -12.804 1.00 0.00 C ATOM 1330 CZ PHE A 82 15.427 20.931 -14.113 1.00 0.00 C ATOM 0 H PHE A 82 13.268 19.645 -9.336 1.00 0.00 H new ATOM 0 HA PHE A 82 12.522 18.234 -11.737 1.00 0.00 H new ATOM 0 HB2 PHE A 82 14.918 18.595 -9.957 1.00 0.00 H new ATOM 0 HB3 PHE A 82 14.921 17.250 -11.080 1.00 0.00 H new ATOM 0 HD1 PHE A 82 13.909 17.941 -13.532 1.00 0.00 H new ATOM 0 HD2 PHE A 82 15.794 20.611 -10.744 1.00 0.00 H new ATOM 0 HE1 PHE A 82 14.449 19.497 -15.387 1.00 0.00 H new ATOM 0 HE2 PHE A 82 16.334 22.166 -12.602 1.00 0.00 H new ATOM 0 HZ PHE A 82 15.663 21.608 -14.921 1.00 0.00 H new ATOM 1340 N LEU A 83 12.452 16.641 -8.888 1.00 0.00 N ATOM 1341 CA LEU A 83 12.053 15.354 -8.272 1.00 0.00 C ATOM 1342 C LEU A 83 10.650 14.989 -8.730 1.00 0.00 C ATOM 1343 O LEU A 83 10.349 13.849 -9.027 1.00 0.00 O ATOM 1344 CB LEU A 83 12.109 15.532 -6.757 1.00 0.00 C ATOM 1345 CG LEU A 83 13.517 15.186 -6.278 1.00 0.00 C ATOM 1346 CD1 LEU A 83 13.572 15.231 -4.751 1.00 0.00 C ATOM 1347 CD2 LEU A 83 13.894 13.781 -6.752 1.00 0.00 C ATOM 0 H LEU A 83 12.624 17.400 -8.228 1.00 0.00 H new ATOM 0 HA LEU A 83 12.721 14.546 -8.571 1.00 0.00 H new ATOM 0 HB2 LEU A 83 11.859 16.558 -6.487 1.00 0.00 H new ATOM 0 HB3 LEU A 83 11.375 14.887 -6.273 1.00 0.00 H new ATOM 0 HG LEU A 83 14.218 15.912 -6.690 1.00 0.00 H new ATOM 0 HD11 LEU A 83 14.579 14.983 -4.416 1.00 0.00 H new ATOM 0 HD12 LEU A 83 13.311 16.232 -4.407 1.00 0.00 H new ATOM 0 HD13 LEU A 83 12.865 14.510 -4.340 1.00 0.00 H new ATOM 0 HD21 LEU A 83 14.899 13.538 -6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 83 13.187 13.058 -6.345 1.00 0.00 H new ATOM 0 HD23 LEU A 83 13.865 13.744 -7.841 1.00 0.00 H new ATOM 1359 N LYS A 84 9.806 15.959 -8.814 1.00 0.00 N ATOM 1360 CA LYS A 84 8.414 15.709 -9.283 1.00 0.00 C ATOM 1361 C LYS A 84 8.453 15.394 -10.776 1.00 0.00 C ATOM 1362 O LYS A 84 7.807 14.477 -11.240 1.00 0.00 O ATOM 1363 CB LYS A 84 7.554 16.951 -9.039 1.00 0.00 C ATOM 1364 CG LYS A 84 6.116 16.520 -8.732 1.00 0.00 C ATOM 1365 CD LYS A 84 5.140 17.386 -9.534 1.00 0.00 C ATOM 1366 CE LYS A 84 4.304 18.236 -8.573 1.00 0.00 C ATOM 1367 NZ LYS A 84 3.109 18.763 -9.292 1.00 0.00 N ATOM 0 H LYS A 84 10.014 16.929 -8.577 1.00 0.00 H new ATOM 0 HA LYS A 84 7.983 14.870 -8.736 1.00 0.00 H new ATOM 0 HB2 LYS A 84 7.958 17.529 -8.208 1.00 0.00 H new ATOM 0 HB3 LYS A 84 7.572 17.598 -9.916 1.00 0.00 H new ATOM 0 HG2 LYS A 84 5.978 15.469 -8.985 1.00 0.00 H new ATOM 0 HG3 LYS A 84 5.915 16.620 -7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 84 5.689 18.029 -10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 84 4.489 16.755 -10.138 1.00 0.00 H new ATOM 0 HE2 LYS A 84 3.993 17.637 -7.717 1.00 0.00 H new ATOM 0 HE3 LYS A 84 4.902 19.061 -8.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.539 19.341 -8.641 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 3.417 19.348 -10.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 2.536 17.969 -9.642 1.00 0.00 H new ATOM 1381 N ARG A 85 9.221 16.133 -11.536 1.00 0.00 N ATOM 1382 CA ARG A 85 9.299 15.839 -12.989 1.00 0.00 C ATOM 1383 C ARG A 85 9.735 14.394 -13.153 1.00 0.00 C ATOM 1384 O ARG A 85 9.353 13.704 -14.078 1.00 0.00 O ATOM 1385 CB ARG A 85 10.301 16.765 -13.661 1.00 0.00 C ATOM 1386 CG ARG A 85 9.574 17.552 -14.748 1.00 0.00 C ATOM 1387 CD ARG A 85 8.786 16.590 -15.641 1.00 0.00 C ATOM 1388 NE ARG A 85 7.337 16.680 -15.308 1.00 0.00 N ATOM 1389 CZ ARG A 85 6.665 17.758 -15.606 1.00 0.00 C ATOM 1390 NH1 ARG A 85 6.701 18.234 -16.820 1.00 0.00 N ATOM 1391 NH2 ARG A 85 5.957 18.360 -14.689 1.00 0.00 N ATOM 0 H ARG A 85 9.789 16.917 -11.214 1.00 0.00 H new ATOM 0 HA ARG A 85 8.327 15.997 -13.456 1.00 0.00 H new ATOM 0 HB2 ARG A 85 10.740 17.444 -12.930 1.00 0.00 H new ATOM 0 HB3 ARG A 85 11.120 16.189 -14.093 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.899 18.278 -14.295 1.00 0.00 H new ATOM 0 HG3 ARG A 85 10.292 18.113 -15.346 1.00 0.00 H new ATOM 0 HD2 ARG A 85 8.945 16.838 -16.690 1.00 0.00 H new ATOM 0 HD3 ARG A 85 9.141 15.569 -15.497 1.00 0.00 H new ATOM 0 HE ARG A 85 6.870 15.899 -14.847 1.00 0.00 H new ATOM 0 HH11 ARG A 85 7.254 17.763 -17.536 1.00 0.00 H new ATOM 0 HH12 ARG A 85 6.176 19.077 -17.053 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.929 17.988 -13.740 1.00 0.00 H new ATOM 0 HH22 ARG A 85 5.432 19.203 -14.922 1.00 0.00 H new ATOM 1405 N LEU A 86 10.530 13.937 -12.237 1.00 0.00 N ATOM 1406 CA LEU A 86 11.012 12.531 -12.283 1.00 0.00 C ATOM 1407 C LEU A 86 9.848 11.578 -11.989 1.00 0.00 C ATOM 1408 O LEU A 86 9.783 10.495 -12.526 1.00 0.00 O ATOM 1409 CB LEU A 86 12.118 12.335 -11.242 1.00 0.00 C ATOM 1410 CG LEU A 86 12.795 10.975 -11.447 1.00 0.00 C ATOM 1411 CD1 LEU A 86 13.087 10.759 -12.934 1.00 0.00 C ATOM 1412 CD2 LEU A 86 14.111 10.939 -10.667 1.00 0.00 C ATOM 0 H LEU A 86 10.873 14.482 -11.446 1.00 0.00 H new ATOM 0 HA LEU A 86 11.409 12.316 -13.275 1.00 0.00 H new ATOM 0 HB2 LEU A 86 12.855 13.134 -11.327 1.00 0.00 H new ATOM 0 HB3 LEU A 86 11.698 12.394 -10.238 1.00 0.00 H new ATOM 0 HG LEU A 86 12.131 10.188 -11.090 1.00 0.00 H new ATOM 0 HD11 LEU A 86 13.568 9.791 -13.073 1.00 0.00 H new ATOM 0 HD12 LEU A 86 12.153 10.784 -13.496 1.00 0.00 H new ATOM 0 HD13 LEU A 86 13.748 11.548 -13.293 1.00 0.00 H new ATOM 0 HD21 LEU A 86 14.593 9.972 -10.812 1.00 0.00 H new ATOM 0 HD22 LEU A 86 14.769 11.730 -11.026 1.00 0.00 H new ATOM 0 HD23 LEU A 86 13.909 11.089 -9.606 1.00 0.00 H new ATOM 1424 N ASP A 87 8.930 11.959 -11.133 1.00 0.00 N ATOM 1425 CA ASP A 87 7.790 11.055 -10.822 1.00 0.00 C ATOM 1426 C ASP A 87 6.860 10.931 -12.035 1.00 0.00 C ATOM 1427 O ASP A 87 6.428 9.850 -12.386 1.00 0.00 O ATOM 1428 CB ASP A 87 7.004 11.639 -9.650 1.00 0.00 C ATOM 1429 CG ASP A 87 5.779 10.763 -9.373 1.00 0.00 C ATOM 1430 OD1 ASP A 87 5.921 9.795 -8.645 1.00 0.00 O ATOM 1431 OD2 ASP A 87 4.722 11.076 -9.896 1.00 0.00 O ATOM 0 H ASP A 87 8.925 12.853 -10.641 1.00 0.00 H new ATOM 0 HA ASP A 87 8.176 10.067 -10.569 1.00 0.00 H new ATOM 0 HB2 ASP A 87 7.636 11.690 -8.763 1.00 0.00 H new ATOM 0 HB3 ASP A 87 6.692 12.658 -9.879 1.00 0.00 H new ATOM 1436 N ARG A 88 6.533 12.025 -12.663 1.00 0.00 N ATOM 1437 CA ARG A 88 5.609 11.970 -13.835 1.00 0.00 C ATOM 1438 C ARG A 88 6.258 11.214 -15.002 1.00 0.00 C ATOM 1439 O ARG A 88 5.635 10.388 -15.638 1.00 0.00 O ATOM 1440 CB ARG A 88 5.284 13.397 -14.282 1.00 0.00 C ATOM 1441 CG ARG A 88 3.765 13.579 -14.337 1.00 0.00 C ATOM 1442 CD ARG A 88 3.211 12.874 -15.576 1.00 0.00 C ATOM 1443 NE ARG A 88 2.572 13.876 -16.475 1.00 0.00 N ATOM 1444 CZ ARG A 88 3.213 14.314 -17.524 1.00 0.00 C ATOM 1445 NH1 ARG A 88 4.054 15.304 -17.408 1.00 0.00 N ATOM 1446 NH2 ARG A 88 3.011 13.762 -18.689 1.00 0.00 N ATOM 0 H ARG A 88 6.865 12.958 -12.417 1.00 0.00 H new ATOM 0 HA ARG A 88 4.699 11.447 -13.541 1.00 0.00 H new ATOM 0 HB2 ARG A 88 5.723 14.116 -13.590 1.00 0.00 H new ATOM 0 HB3 ARG A 88 5.720 13.591 -15.262 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.306 13.170 -13.437 1.00 0.00 H new ATOM 0 HG3 ARG A 88 3.516 14.640 -14.367 1.00 0.00 H new ATOM 0 HD2 ARG A 88 4.013 12.357 -16.102 1.00 0.00 H new ATOM 0 HD3 ARG A 88 2.483 12.117 -15.282 1.00 0.00 H new ATOM 0 HE ARG A 88 1.634 14.220 -16.270 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.211 15.736 -16.497 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.555 15.646 -18.228 1.00 0.00 H new ATOM 0 HH21 ARG A 88 2.352 12.988 -18.780 1.00 0.00 H new ATOM 0 HH22 ARG A 88 3.512 14.104 -19.509 1.00 0.00 H new ATOM 1460 N ASN A 89 7.491 11.510 -15.306 1.00 0.00 N ATOM 1461 CA ASN A 89 8.168 10.833 -16.453 1.00 0.00 C ATOM 1462 C ASN A 89 8.461 9.358 -16.138 1.00 0.00 C ATOM 1463 O ASN A 89 8.289 8.496 -16.978 1.00 0.00 O ATOM 1464 CB ASN A 89 9.481 11.556 -16.767 1.00 0.00 C ATOM 1465 CG ASN A 89 9.208 13.049 -16.960 1.00 0.00 C ATOM 1466 OD1 ASN A 89 8.420 13.633 -16.243 1.00 0.00 O ATOM 1467 ND2 ASN A 89 9.832 13.696 -17.907 1.00 0.00 N ATOM 0 H ASN A 89 8.063 12.193 -14.809 1.00 0.00 H new ATOM 0 HA ASN A 89 7.501 10.872 -17.314 1.00 0.00 H new ATOM 0 HB2 ASN A 89 10.193 11.408 -15.955 1.00 0.00 H new ATOM 0 HB3 ASN A 89 9.932 11.139 -17.667 1.00 0.00 H new ATOM 0 HD21 ASN A 89 9.658 14.692 -18.045 1.00 0.00 H new ATOM 0 HD22 ASN A 89 10.494 13.206 -18.509 1.00 0.00 H new ATOM 1474 N LEU A 90 8.925 9.054 -14.956 1.00 0.00 N ATOM 1475 CA LEU A 90 9.246 7.638 -14.625 1.00 0.00 C ATOM 1476 C LEU A 90 8.068 6.728 -14.965 1.00 0.00 C ATOM 1477 O LEU A 90 8.243 5.571 -15.283 1.00 0.00 O ATOM 1478 CB LEU A 90 9.563 7.515 -13.136 1.00 0.00 C ATOM 1479 CG LEU A 90 11.079 7.452 -12.934 1.00 0.00 C ATOM 1480 CD1 LEU A 90 11.387 7.092 -11.482 1.00 0.00 C ATOM 1481 CD2 LEU A 90 11.670 6.383 -13.848 1.00 0.00 C ATOM 0 H LEU A 90 9.095 9.725 -14.207 1.00 0.00 H new ATOM 0 HA LEU A 90 10.111 7.333 -15.213 1.00 0.00 H new ATOM 0 HB2 LEU A 90 9.150 8.366 -12.595 1.00 0.00 H new ATOM 0 HB3 LEU A 90 9.095 6.620 -12.727 1.00 0.00 H new ATOM 0 HG LEU A 90 11.514 8.423 -13.172 1.00 0.00 H new ATOM 0 HD11 LEU A 90 12.467 7.047 -11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 90 10.965 7.850 -10.822 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.950 6.122 -11.247 1.00 0.00 H new ATOM 0 HD21 LEU A 90 12.750 6.338 -13.704 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.231 5.415 -13.607 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.452 6.631 -14.887 1.00 0.00 H new ATOM 1493 N TRP A 91 6.871 7.227 -14.887 1.00 0.00 N ATOM 1494 CA TRP A 91 5.694 6.383 -15.193 1.00 0.00 C ATOM 1495 C TRP A 91 5.631 6.091 -16.699 1.00 0.00 C ATOM 1496 O TRP A 91 5.279 5.002 -17.108 1.00 0.00 O ATOM 1497 CB TRP A 91 4.439 7.115 -14.713 1.00 0.00 C ATOM 1498 CG TRP A 91 4.460 7.155 -13.226 1.00 0.00 C ATOM 1499 CD1 TRP A 91 4.396 8.277 -12.488 1.00 0.00 C ATOM 1500 CD2 TRP A 91 4.554 6.048 -12.288 1.00 0.00 C ATOM 1501 NE1 TRP A 91 4.451 7.936 -11.148 1.00 0.00 N ATOM 1502 CE2 TRP A 91 4.543 6.570 -10.974 1.00 0.00 C ATOM 1503 CE3 TRP A 91 4.646 4.656 -12.449 1.00 0.00 C ATOM 1504 CZ2 TRP A 91 4.620 5.739 -9.857 1.00 0.00 C ATOM 1505 CZ3 TRP A 91 4.723 3.815 -11.327 1.00 0.00 C ATOM 1506 CH2 TRP A 91 4.710 4.356 -10.032 1.00 0.00 C ATOM 0 H TRP A 91 6.658 8.189 -14.623 1.00 0.00 H new ATOM 0 HA TRP A 91 5.768 5.425 -14.679 1.00 0.00 H new ATOM 0 HB2 TRP A 91 4.411 8.126 -15.119 1.00 0.00 H new ATOM 0 HB3 TRP A 91 3.543 6.604 -15.066 1.00 0.00 H new ATOM 0 HD1 TRP A 91 4.315 9.281 -12.878 1.00 0.00 H new ATOM 0 HE1 TRP A 91 4.427 8.611 -10.383 1.00 0.00 H new ATOM 0 HE3 TRP A 91 4.658 4.230 -13.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 4.610 6.162 -8.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 4.793 2.746 -11.461 1.00 0.00 H new ATOM 0 HH2 TRP A 91 4.769 3.704 -9.173 1.00 0.00 H new ATOM 1517 N GLY A 92 5.978 7.040 -17.533 1.00 0.00 N ATOM 1518 CA GLY A 92 5.943 6.786 -19.003 1.00 0.00 C ATOM 1519 C GLY A 92 7.081 5.835 -19.388 1.00 0.00 C ATOM 1520 O GLY A 92 6.884 4.850 -20.071 1.00 0.00 O ATOM 0 H GLY A 92 6.282 7.974 -17.260 1.00 0.00 H new ATOM 0 HA2 GLY A 92 4.983 6.353 -19.285 1.00 0.00 H new ATOM 0 HA3 GLY A 92 6.041 7.725 -19.547 1.00 0.00 H new ATOM 1524 N LEU A 93 8.274 6.144 -18.961 1.00 0.00 N ATOM 1525 CA LEU A 93 9.454 5.295 -19.294 1.00 0.00 C ATOM 1526 C LEU A 93 9.265 3.884 -18.715 1.00 0.00 C ATOM 1527 O LEU A 93 9.626 2.901 -19.328 1.00 0.00 O ATOM 1528 CB LEU A 93 10.706 5.970 -18.689 1.00 0.00 C ATOM 1529 CG LEU A 93 12.019 5.441 -19.295 1.00 0.00 C ATOM 1530 CD1 LEU A 93 13.166 5.838 -18.368 1.00 0.00 C ATOM 1531 CD2 LEU A 93 11.975 3.918 -19.422 1.00 0.00 C ATOM 0 H LEU A 93 8.485 6.960 -18.387 1.00 0.00 H new ATOM 0 HA LEU A 93 9.568 5.199 -20.374 1.00 0.00 H new ATOM 0 HB2 LEU A 93 10.645 7.047 -18.848 1.00 0.00 H new ATOM 0 HB3 LEU A 93 10.717 5.807 -17.611 1.00 0.00 H new ATOM 0 HG LEU A 93 12.160 5.866 -20.289 1.00 0.00 H new ATOM 0 HD11 LEU A 93 14.108 5.473 -18.778 1.00 0.00 H new ATOM 0 HD12 LEU A 93 13.204 6.924 -18.281 1.00 0.00 H new ATOM 0 HD13 LEU A 93 13.005 5.401 -17.383 1.00 0.00 H new ATOM 0 HD21 LEU A 93 12.911 3.562 -19.852 1.00 0.00 H new ATOM 0 HD22 LEU A 93 11.837 3.475 -18.436 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.146 3.631 -20.069 1.00 0.00 H new ATOM 1543 N ALA A 94 8.694 3.775 -17.545 1.00 0.00 N ATOM 1544 CA ALA A 94 8.480 2.428 -16.945 1.00 0.00 C ATOM 1545 C ALA A 94 7.415 1.679 -17.747 1.00 0.00 C ATOM 1546 O ALA A 94 7.708 0.736 -18.458 1.00 0.00 O ATOM 1547 CB ALA A 94 8.013 2.583 -15.497 1.00 0.00 C ATOM 0 H ALA A 94 8.367 4.559 -16.981 1.00 0.00 H new ATOM 0 HA ALA A 94 9.414 1.867 -16.966 1.00 0.00 H new ATOM 0 HB1 ALA A 94 7.856 1.598 -15.058 1.00 0.00 H new ATOM 0 HB2 ALA A 94 8.771 3.119 -14.926 1.00 0.00 H new ATOM 0 HB3 ALA A 94 7.078 3.143 -15.474 1.00 0.00 H new ATOM 1553 N GLY A 95 6.181 2.094 -17.649 1.00 0.00 N ATOM 1554 CA GLY A 95 5.103 1.406 -18.414 1.00 0.00 C ATOM 1555 C GLY A 95 3.991 0.950 -17.465 1.00 0.00 C ATOM 1556 O GLY A 95 2.837 0.886 -17.837 1.00 0.00 O ATOM 0 H GLY A 95 5.874 2.878 -17.073 1.00 0.00 H new ATOM 0 HA2 GLY A 95 4.695 2.080 -19.167 1.00 0.00 H new ATOM 0 HA3 GLY A 95 5.514 0.547 -18.944 1.00 0.00 H new ATOM 1560 N LEU A 96 4.324 0.628 -16.246 1.00 0.00 N ATOM 1561 CA LEU A 96 3.287 0.174 -15.285 1.00 0.00 C ATOM 1562 C LEU A 96 3.110 1.225 -14.187 1.00 0.00 C ATOM 1563 O LEU A 96 3.902 2.137 -14.053 1.00 0.00 O ATOM 1564 CB LEU A 96 3.736 -1.141 -14.654 1.00 0.00 C ATOM 1565 CG LEU A 96 2.511 -1.982 -14.294 1.00 0.00 C ATOM 1566 CD1 LEU A 96 1.687 -2.248 -15.555 1.00 0.00 C ATOM 1567 CD2 LEU A 96 2.964 -3.312 -13.691 1.00 0.00 C ATOM 0 H LEU A 96 5.274 0.661 -15.875 1.00 0.00 H new ATOM 0 HA LEU A 96 2.341 0.033 -15.807 1.00 0.00 H new ATOM 0 HB2 LEU A 96 4.375 -1.689 -15.347 1.00 0.00 H new ATOM 0 HB3 LEU A 96 4.329 -0.944 -13.761 1.00 0.00 H new ATOM 0 HG LEU A 96 1.902 -1.444 -13.568 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.813 -2.848 -15.299 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.363 -1.300 -15.985 1.00 0.00 H new ATOM 0 HD13 LEU A 96 2.296 -2.786 -16.281 1.00 0.00 H new ATOM 0 HD21 LEU A 96 2.091 -3.911 -13.434 1.00 0.00 H new ATOM 0 HD22 LEU A 96 3.574 -3.851 -14.416 1.00 0.00 H new ATOM 0 HD23 LEU A 96 3.551 -3.123 -12.792 1.00 0.00 H new ATOM 1579 N ASN A 97 2.071 1.107 -13.403 1.00 0.00 N ATOM 1580 CA ASN A 97 1.839 2.099 -12.317 1.00 0.00 C ATOM 1581 C ASN A 97 1.219 1.401 -11.107 1.00 0.00 C ATOM 1582 O ASN A 97 0.222 1.841 -10.569 1.00 0.00 O ATOM 1583 CB ASN A 97 0.890 3.188 -12.819 1.00 0.00 C ATOM 1584 CG ASN A 97 1.051 4.444 -11.960 1.00 0.00 C ATOM 1585 OD1 ASN A 97 1.258 4.354 -10.767 1.00 0.00 O ATOM 1586 ND2 ASN A 97 0.965 5.618 -12.522 1.00 0.00 N ATOM 0 H ASN A 97 1.374 0.366 -13.469 1.00 0.00 H new ATOM 0 HA ASN A 97 2.789 2.547 -12.027 1.00 0.00 H new ATOM 0 HB2 ASN A 97 1.104 3.419 -13.863 1.00 0.00 H new ATOM 0 HB3 ASN A 97 -0.140 2.835 -12.776 1.00 0.00 H new ATOM 0 HD21 ASN A 97 1.072 6.462 -11.959 1.00 0.00 H new ATOM 0 HD22 ASN A 97 0.791 5.692 -13.524 1.00 0.00 H new ATOM 1593 N SER A 98 1.804 0.318 -10.670 1.00 0.00 N ATOM 1594 CA SER A 98 1.249 -0.405 -9.491 1.00 0.00 C ATOM 1595 C SER A 98 1.828 -1.819 -9.441 1.00 0.00 C ATOM 1596 O SER A 98 1.112 -2.794 -9.552 1.00 0.00 O ATOM 1597 CB SER A 98 -0.274 -0.484 -9.609 1.00 0.00 C ATOM 1598 OG SER A 98 -0.757 -1.549 -8.803 1.00 0.00 O ATOM 0 H SER A 98 2.642 -0.096 -11.079 1.00 0.00 H new ATOM 0 HA SER A 98 1.516 0.131 -8.580 1.00 0.00 H new ATOM 0 HB2 SER A 98 -0.723 0.458 -9.293 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.561 -0.641 -10.649 1.00 0.00 H new ATOM 0 HG SER A 98 -0.499 -2.405 -9.203 1.00 0.00 H new ATOM 1604 N CYS A 99 3.117 -1.942 -9.273 1.00 0.00 N ATOM 1605 CA CYS A 99 3.737 -3.270 -9.214 1.00 0.00 C ATOM 1606 C CYS A 99 4.063 -3.553 -7.728 1.00 0.00 C ATOM 1607 O CYS A 99 3.552 -2.873 -6.862 1.00 0.00 O ATOM 1608 CB CYS A 99 4.990 -3.234 -10.110 1.00 0.00 C ATOM 1609 SG CYS A 99 4.703 -2.172 -11.553 1.00 0.00 S ATOM 0 H CYS A 99 3.764 -1.160 -9.174 1.00 0.00 H new ATOM 0 HA CYS A 99 3.092 -4.070 -9.577 1.00 0.00 H new ATOM 0 HB2 CYS A 99 5.842 -2.863 -9.540 1.00 0.00 H new ATOM 0 HB3 CYS A 99 5.241 -4.243 -10.437 1.00 0.00 H new ATOM 1614 N PRO A 100 4.879 -4.537 -7.468 1.00 0.00 N ATOM 1615 CA PRO A 100 5.271 -4.936 -6.081 1.00 0.00 C ATOM 1616 C PRO A 100 6.363 -4.012 -5.534 1.00 0.00 C ATOM 1617 O PRO A 100 6.630 -2.957 -6.074 1.00 0.00 O ATOM 1618 CB PRO A 100 5.811 -6.347 -6.268 1.00 0.00 C ATOM 1619 CG PRO A 100 6.264 -6.455 -7.720 1.00 0.00 C ATOM 1620 CD PRO A 100 5.525 -5.369 -8.510 1.00 0.00 C ATOM 0 HA PRO A 100 4.446 -4.878 -5.371 1.00 0.00 H new ATOM 0 HB2 PRO A 100 6.642 -6.536 -5.588 1.00 0.00 H new ATOM 0 HB3 PRO A 100 5.043 -7.088 -6.046 1.00 0.00 H new ATOM 0 HG2 PRO A 100 7.343 -6.319 -7.797 1.00 0.00 H new ATOM 0 HG3 PRO A 100 6.038 -7.443 -8.121 1.00 0.00 H new ATOM 0 HD2 PRO A 100 6.213 -4.782 -9.119 1.00 0.00 H new ATOM 0 HD3 PRO A 100 4.789 -5.801 -9.188 1.00 0.00 H new ATOM 1628 N VAL A 101 6.999 -4.409 -4.464 1.00 0.00 N ATOM 1629 CA VAL A 101 8.079 -3.569 -3.876 1.00 0.00 C ATOM 1630 C VAL A 101 9.272 -4.460 -3.526 1.00 0.00 C ATOM 1631 O VAL A 101 10.168 -4.657 -4.326 1.00 0.00 O ATOM 1632 CB VAL A 101 7.563 -2.888 -2.605 1.00 0.00 C ATOM 1633 CG1 VAL A 101 8.722 -2.187 -1.894 1.00 0.00 C ATOM 1634 CG2 VAL A 101 6.495 -1.859 -2.978 1.00 0.00 C ATOM 0 H VAL A 101 6.815 -5.283 -3.971 1.00 0.00 H new ATOM 0 HA VAL A 101 8.385 -2.809 -4.595 1.00 0.00 H new ATOM 0 HB VAL A 101 7.131 -3.637 -1.941 1.00 0.00 H new ATOM 0 HG11 VAL A 101 8.354 -1.702 -0.990 1.00 0.00 H new ATOM 0 HG12 VAL A 101 9.483 -2.921 -1.629 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.155 -1.438 -2.556 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.126 -1.373 -2.074 1.00 0.00 H new ATOM 0 HG22 VAL A 101 6.927 -1.110 -3.642 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.669 -2.359 -3.484 1.00 0.00 H new ATOM 1644 N LYS A 102 9.291 -5.007 -2.341 1.00 0.00 N ATOM 1645 CA LYS A 102 10.421 -5.892 -1.940 1.00 0.00 C ATOM 1646 C LYS A 102 11.637 -5.043 -1.578 1.00 0.00 C ATOM 1647 O LYS A 102 12.558 -4.891 -2.356 1.00 0.00 O ATOM 1648 CB LYS A 102 10.775 -6.826 -3.098 1.00 0.00 C ATOM 1649 CG LYS A 102 11.504 -8.058 -2.555 1.00 0.00 C ATOM 1650 CD LYS A 102 10.502 -9.197 -2.355 1.00 0.00 C ATOM 1651 CE LYS A 102 10.844 -9.960 -1.074 1.00 0.00 C ATOM 1652 NZ LYS A 102 9.617 -10.103 -0.239 1.00 0.00 N ATOM 0 H LYS A 102 8.570 -4.878 -1.631 1.00 0.00 H new ATOM 0 HA LYS A 102 10.125 -6.484 -1.074 1.00 0.00 H new ATOM 0 HB2 LYS A 102 9.870 -7.129 -3.625 1.00 0.00 H new ATOM 0 HB3 LYS A 102 11.405 -6.306 -3.819 1.00 0.00 H new ATOM 0 HG2 LYS A 102 12.287 -8.366 -3.248 1.00 0.00 H new ATOM 0 HG3 LYS A 102 11.992 -7.818 -1.610 1.00 0.00 H new ATOM 0 HD2 LYS A 102 9.490 -8.798 -2.294 1.00 0.00 H new ATOM 0 HD3 LYS A 102 10.527 -9.872 -3.210 1.00 0.00 H new ATOM 0 HE2 LYS A 102 11.246 -10.943 -1.320 1.00 0.00 H new ATOM 0 HE3 LYS A 102 11.616 -9.429 -0.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 9.848 -10.622 0.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 9.252 -9.160 0.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 8.894 -10.627 -0.772 1.00 0.00 H new ATOM 1666 N GLU A 103 11.647 -4.491 -0.398 1.00 0.00 N ATOM 1667 CA GLU A 103 12.806 -3.654 0.023 1.00 0.00 C ATOM 1668 C GLU A 103 12.948 -3.699 1.545 1.00 0.00 C ATOM 1669 O GLU A 103 12.089 -3.242 2.273 1.00 0.00 O ATOM 1670 CB GLU A 103 12.580 -2.207 -0.424 1.00 0.00 C ATOM 1671 CG GLU A 103 13.678 -1.314 0.163 1.00 0.00 C ATOM 1672 CD GLU A 103 15.044 -1.966 -0.058 1.00 0.00 C ATOM 1673 OE1 GLU A 103 15.206 -2.624 -1.072 1.00 0.00 O ATOM 1674 OE2 GLU A 103 15.903 -1.797 0.791 1.00 0.00 O ATOM 0 H GLU A 103 10.903 -4.583 0.294 1.00 0.00 H new ATOM 0 HA GLU A 103 13.715 -4.041 -0.437 1.00 0.00 H new ATOM 0 HB2 GLU A 103 12.589 -2.146 -1.512 1.00 0.00 H new ATOM 0 HB3 GLU A 103 11.600 -1.862 -0.094 1.00 0.00 H new ATOM 0 HG2 GLU A 103 13.652 -0.332 -0.309 1.00 0.00 H new ATOM 0 HG3 GLU A 103 13.505 -1.161 1.228 1.00 0.00 H new ATOM 1681 N ALA A 104 14.026 -4.251 2.033 1.00 0.00 N ATOM 1682 CA ALA A 104 14.225 -4.327 3.507 1.00 0.00 C ATOM 1683 C ALA A 104 15.280 -3.303 3.931 1.00 0.00 C ATOM 1684 O ALA A 104 14.999 -2.374 4.662 1.00 0.00 O ATOM 1685 CB ALA A 104 14.697 -5.732 3.887 1.00 0.00 C ATOM 0 H ALA A 104 14.778 -4.653 1.473 1.00 0.00 H new ATOM 0 HA ALA A 104 13.284 -4.111 4.013 1.00 0.00 H new ATOM 0 HB1 ALA A 104 14.843 -5.788 4.966 1.00 0.00 H new ATOM 0 HB2 ALA A 104 13.947 -6.462 3.584 1.00 0.00 H new ATOM 0 HB3 ALA A 104 15.638 -5.948 3.382 1.00 0.00 H new ATOM 1691 N ASN A 105 16.493 -3.467 3.481 1.00 0.00 N ATOM 1692 CA ASN A 105 17.565 -2.502 3.858 1.00 0.00 C ATOM 1693 C ASN A 105 17.174 -1.099 3.387 1.00 0.00 C ATOM 1694 O ASN A 105 16.052 -0.858 2.987 1.00 0.00 O ATOM 1695 CB ASN A 105 18.881 -2.916 3.196 1.00 0.00 C ATOM 1696 CG ASN A 105 18.628 -3.248 1.724 1.00 0.00 C ATOM 1697 OD1 ASN A 105 18.420 -4.391 1.374 1.00 0.00 O ATOM 1698 ND2 ASN A 105 18.640 -2.287 0.840 1.00 0.00 N ATOM 0 H ASN A 105 16.789 -4.227 2.869 1.00 0.00 H new ATOM 0 HA ASN A 105 17.690 -2.501 4.941 1.00 0.00 H new ATOM 0 HB2 ASN A 105 19.611 -2.111 3.278 1.00 0.00 H new ATOM 0 HB3 ASN A 105 19.302 -3.781 3.708 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.475 -2.497 -0.144 1.00 0.00 H new ATOM 0 HD22 ASN A 105 18.815 -1.326 1.134 1.00 0.00 H new ATOM 1705 N GLN A 106 18.090 -0.171 3.429 1.00 0.00 N ATOM 1706 CA GLN A 106 17.768 1.213 2.982 1.00 0.00 C ATOM 1707 C GLN A 106 19.024 1.875 2.415 1.00 0.00 C ATOM 1708 O GLN A 106 20.056 1.251 2.271 1.00 0.00 O ATOM 1709 CB GLN A 106 17.253 2.027 4.170 1.00 0.00 C ATOM 1710 CG GLN A 106 18.317 2.054 5.270 1.00 0.00 C ATOM 1711 CD GLN A 106 19.010 3.418 5.278 1.00 0.00 C ATOM 1712 OE1 GLN A 106 18.837 4.205 4.369 1.00 0.00 O ATOM 1713 NE2 GLN A 106 19.793 3.732 6.274 1.00 0.00 N ATOM 0 H GLN A 106 19.047 -0.311 3.753 1.00 0.00 H new ATOM 0 HA GLN A 106 17.000 1.173 2.209 1.00 0.00 H new ATOM 0 HB2 GLN A 106 17.016 3.043 3.853 1.00 0.00 H new ATOM 0 HB3 GLN A 106 16.331 1.589 4.552 1.00 0.00 H new ATOM 0 HG2 GLN A 106 17.857 1.862 6.240 1.00 0.00 H new ATOM 0 HG3 GLN A 106 19.049 1.264 5.102 1.00 0.00 H new ATOM 0 HE21 GLN A 106 19.938 3.071 7.037 1.00 0.00 H new ATOM 0 HE22 GLN A 106 20.260 4.639 6.289 1.00 0.00 H new ATOM 1722 N SER A 107 18.946 3.138 2.090 1.00 0.00 N ATOM 1723 CA SER A 107 20.137 3.837 1.533 1.00 0.00 C ATOM 1724 C SER A 107 19.957 5.348 1.685 1.00 0.00 C ATOM 1725 O SER A 107 18.983 5.812 2.244 1.00 0.00 O ATOM 1726 CB SER A 107 20.288 3.484 0.051 1.00 0.00 C ATOM 1727 OG SER A 107 19.778 4.543 -0.746 1.00 0.00 O ATOM 0 H SER A 107 18.110 3.714 2.187 1.00 0.00 H new ATOM 0 HA SER A 107 21.030 3.523 2.073 1.00 0.00 H new ATOM 0 HB2 SER A 107 21.337 3.310 -0.186 1.00 0.00 H new ATOM 0 HB3 SER A 107 19.754 2.560 -0.169 1.00 0.00 H new ATOM 0 HG SER A 107 20.031 4.400 -1.682 1.00 0.00 H new ATOM 1733 N THR A 108 20.886 6.119 1.192 1.00 0.00 N ATOM 1734 CA THR A 108 20.767 7.599 1.311 1.00 0.00 C ATOM 1735 C THR A 108 20.177 8.169 0.020 1.00 0.00 C ATOM 1736 O THR A 108 20.426 7.670 -1.057 1.00 0.00 O ATOM 1737 CB THR A 108 22.154 8.203 1.546 1.00 0.00 C ATOM 1738 OG1 THR A 108 22.986 7.925 0.428 1.00 0.00 O ATOM 1739 CG2 THR A 108 22.769 7.596 2.807 1.00 0.00 C ATOM 0 H THR A 108 21.723 5.788 0.712 1.00 0.00 H new ATOM 0 HA THR A 108 20.114 7.845 2.149 1.00 0.00 H new ATOM 0 HB THR A 108 22.065 9.282 1.672 1.00 0.00 H new ATOM 0 HG1 THR A 108 23.874 8.313 0.576 1.00 0.00 H new ATOM 0 HG21 THR A 108 23.756 8.026 2.974 1.00 0.00 H new ATOM 0 HG22 THR A 108 22.130 7.811 3.663 1.00 0.00 H new ATOM 0 HG23 THR A 108 22.860 6.517 2.684 1.00 0.00 H new ATOM 1747 N LEU A 109 19.406 9.220 0.117 1.00 0.00 N ATOM 1748 CA LEU A 109 18.815 9.826 -1.112 1.00 0.00 C ATOM 1749 C LEU A 109 19.931 10.030 -2.138 1.00 0.00 C ATOM 1750 O LEU A 109 19.779 9.721 -3.300 1.00 0.00 O ATOM 1751 CB LEU A 109 18.186 11.181 -0.759 1.00 0.00 C ATOM 1752 CG LEU A 109 17.299 11.677 -1.909 1.00 0.00 C ATOM 1753 CD1 LEU A 109 18.124 11.813 -3.186 1.00 0.00 C ATOM 1754 CD2 LEU A 109 16.157 10.690 -2.149 1.00 0.00 C ATOM 0 H LEU A 109 19.161 9.684 0.992 1.00 0.00 H new ATOM 0 HA LEU A 109 18.047 9.171 -1.523 1.00 0.00 H new ATOM 0 HB2 LEU A 109 17.593 11.088 0.151 1.00 0.00 H new ATOM 0 HB3 LEU A 109 18.970 11.911 -0.556 1.00 0.00 H new ATOM 0 HG LEU A 109 16.888 12.650 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 109 17.485 12.165 -3.996 1.00 0.00 H new ATOM 0 HD12 LEU A 109 18.931 12.527 -3.023 1.00 0.00 H new ATOM 0 HD13 LEU A 109 18.545 10.844 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 109 15.532 11.049 -2.967 1.00 0.00 H new ATOM 0 HD22 LEU A 109 16.568 9.714 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 109 15.556 10.602 -1.244 1.00 0.00 H new ATOM 1766 N GLU A 110 21.055 10.545 -1.723 1.00 0.00 N ATOM 1767 CA GLU A 110 22.165 10.752 -2.693 1.00 0.00 C ATOM 1768 C GLU A 110 22.380 9.450 -3.464 1.00 0.00 C ATOM 1769 O GLU A 110 22.539 9.446 -4.669 1.00 0.00 O ATOM 1770 CB GLU A 110 23.447 11.124 -1.939 1.00 0.00 C ATOM 1771 CG GLU A 110 24.656 10.954 -2.862 1.00 0.00 C ATOM 1772 CD GLU A 110 25.504 9.773 -2.381 1.00 0.00 C ATOM 1773 OE1 GLU A 110 24.931 8.831 -1.860 1.00 0.00 O ATOM 1774 OE2 GLU A 110 26.712 9.833 -2.543 1.00 0.00 O ATOM 0 H GLU A 110 21.252 10.829 -0.763 1.00 0.00 H new ATOM 0 HA GLU A 110 21.916 11.559 -3.382 1.00 0.00 H new ATOM 0 HB2 GLU A 110 23.388 12.154 -1.587 1.00 0.00 H new ATOM 0 HB3 GLU A 110 23.558 10.492 -1.058 1.00 0.00 H new ATOM 0 HG2 GLU A 110 24.324 10.784 -3.886 1.00 0.00 H new ATOM 0 HG3 GLU A 110 25.253 11.866 -2.868 1.00 0.00 H new ATOM 1781 N ASN A 111 22.379 8.345 -2.773 1.00 0.00 N ATOM 1782 CA ASN A 111 22.576 7.036 -3.449 1.00 0.00 C ATOM 1783 C ASN A 111 21.345 6.704 -4.290 1.00 0.00 C ATOM 1784 O ASN A 111 21.439 6.023 -5.271 1.00 0.00 O ATOM 1785 CB ASN A 111 22.804 5.941 -2.407 1.00 0.00 C ATOM 1786 CG ASN A 111 23.385 4.701 -3.090 1.00 0.00 C ATOM 1787 OD1 ASN A 111 23.649 4.713 -4.275 1.00 0.00 O ATOM 1788 ND2 ASN A 111 23.598 3.623 -2.387 1.00 0.00 N ATOM 0 H ASN A 111 22.249 8.294 -1.763 1.00 0.00 H new ATOM 0 HA ASN A 111 23.450 7.095 -4.098 1.00 0.00 H new ATOM 0 HB2 ASN A 111 23.485 6.296 -1.634 1.00 0.00 H new ATOM 0 HB3 ASN A 111 21.864 5.691 -1.914 1.00 0.00 H new ATOM 0 HD21 ASN A 111 23.986 2.792 -2.833 1.00 0.00 H new ATOM 0 HD22 ASN A 111 23.377 3.611 -1.391 1.00 0.00 H new ATOM 1795 N PHE A 112 20.189 7.164 -3.919 1.00 0.00 N ATOM 1796 CA PHE A 112 18.987 6.852 -4.745 1.00 0.00 C ATOM 1797 C PHE A 112 19.138 7.542 -6.098 1.00 0.00 C ATOM 1798 O PHE A 112 18.779 7.007 -7.119 1.00 0.00 O ATOM 1799 CB PHE A 112 17.736 7.383 -4.037 1.00 0.00 C ATOM 1800 CG PHE A 112 16.499 6.986 -4.811 1.00 0.00 C ATOM 1801 CD1 PHE A 112 15.948 5.709 -4.647 1.00 0.00 C ATOM 1802 CD2 PHE A 112 15.903 7.897 -5.693 1.00 0.00 C ATOM 1803 CE1 PHE A 112 14.802 5.343 -5.366 1.00 0.00 C ATOM 1804 CE2 PHE A 112 14.758 7.531 -6.410 1.00 0.00 C ATOM 1805 CZ PHE A 112 14.207 6.255 -6.247 1.00 0.00 C ATOM 0 H PHE A 112 20.020 7.736 -3.091 1.00 0.00 H new ATOM 0 HA PHE A 112 18.892 5.775 -4.883 1.00 0.00 H new ATOM 0 HB2 PHE A 112 17.685 6.985 -3.023 1.00 0.00 H new ATOM 0 HB3 PHE A 112 17.789 8.468 -3.951 1.00 0.00 H new ATOM 0 HD1 PHE A 112 16.406 5.006 -3.967 1.00 0.00 H new ATOM 0 HD2 PHE A 112 16.327 8.882 -5.820 1.00 0.00 H new ATOM 0 HE1 PHE A 112 14.378 4.358 -5.241 1.00 0.00 H new ATOM 0 HE2 PHE A 112 14.299 8.234 -7.090 1.00 0.00 H new ATOM 0 HZ PHE A 112 13.323 5.974 -6.800 1.00 0.00 H new ATOM 1815 N LEU A 113 19.669 8.728 -6.116 1.00 0.00 N ATOM 1816 CA LEU A 113 19.860 9.430 -7.410 1.00 0.00 C ATOM 1817 C LEU A 113 20.995 8.748 -8.185 1.00 0.00 C ATOM 1818 O LEU A 113 20.949 8.625 -9.393 1.00 0.00 O ATOM 1819 CB LEU A 113 20.205 10.897 -7.145 1.00 0.00 C ATOM 1820 CG LEU A 113 19.087 11.540 -6.317 1.00 0.00 C ATOM 1821 CD1 LEU A 113 19.600 12.840 -5.693 1.00 0.00 C ATOM 1822 CD2 LEU A 113 17.894 11.847 -7.225 1.00 0.00 C ATOM 0 H LEU A 113 19.979 9.242 -5.291 1.00 0.00 H new ATOM 0 HA LEU A 113 18.945 9.385 -8.000 1.00 0.00 H new ATOM 0 HB2 LEU A 113 21.154 10.969 -6.613 1.00 0.00 H new ATOM 0 HB3 LEU A 113 20.327 11.430 -8.088 1.00 0.00 H new ATOM 0 HG LEU A 113 18.777 10.855 -5.528 1.00 0.00 H new ATOM 0 HD11 LEU A 113 18.806 13.299 -5.104 1.00 0.00 H new ATOM 0 HD12 LEU A 113 20.451 12.623 -5.048 1.00 0.00 H new ATOM 0 HD13 LEU A 113 19.908 13.526 -6.482 1.00 0.00 H new ATOM 0 HD21 LEU A 113 17.098 12.304 -6.638 1.00 0.00 H new ATOM 0 HD22 LEU A 113 18.204 12.533 -8.013 1.00 0.00 H new ATOM 0 HD23 LEU A 113 17.530 10.922 -7.672 1.00 0.00 H new ATOM 1834 N GLU A 114 22.020 8.301 -7.496 1.00 0.00 N ATOM 1835 CA GLU A 114 23.160 7.626 -8.184 1.00 0.00 C ATOM 1836 C GLU A 114 22.709 6.256 -8.696 1.00 0.00 C ATOM 1837 O GLU A 114 22.898 5.901 -9.843 1.00 0.00 O ATOM 1838 CB GLU A 114 24.285 7.432 -7.174 1.00 0.00 C ATOM 1839 CG GLU A 114 25.585 8.021 -7.717 1.00 0.00 C ATOM 1840 CD GLU A 114 25.789 7.574 -9.167 1.00 0.00 C ATOM 1841 OE1 GLU A 114 25.192 6.580 -9.549 1.00 0.00 O ATOM 1842 OE2 GLU A 114 26.539 8.232 -9.869 1.00 0.00 O ATOM 0 H GLU A 114 22.113 8.377 -6.483 1.00 0.00 H new ATOM 0 HA GLU A 114 23.501 8.233 -9.023 1.00 0.00 H new ATOM 0 HB2 GLU A 114 24.025 7.913 -6.231 1.00 0.00 H new ATOM 0 HB3 GLU A 114 24.417 6.371 -6.965 1.00 0.00 H new ATOM 0 HG2 GLU A 114 25.553 9.109 -7.663 1.00 0.00 H new ATOM 0 HG3 GLU A 114 26.426 7.696 -7.105 1.00 0.00 H new ATOM 1849 N ARG A 115 22.111 5.498 -7.829 1.00 0.00 N ATOM 1850 CA ARG A 115 21.616 4.140 -8.176 1.00 0.00 C ATOM 1851 C ARG A 115 20.536 4.258 -9.245 1.00 0.00 C ATOM 1852 O ARG A 115 20.581 3.613 -10.274 1.00 0.00 O ATOM 1853 CB ARG A 115 21.008 3.518 -6.913 1.00 0.00 C ATOM 1854 CG ARG A 115 21.348 2.026 -6.866 1.00 0.00 C ATOM 1855 CD ARG A 115 20.984 1.376 -8.202 1.00 0.00 C ATOM 1856 NE ARG A 115 21.367 -0.063 -8.176 1.00 0.00 N ATOM 1857 CZ ARG A 115 22.627 -0.402 -8.154 1.00 0.00 C ATOM 1858 NH1 ARG A 115 23.280 -0.423 -7.024 1.00 0.00 N ATOM 1859 NH2 ARG A 115 23.235 -0.719 -9.266 1.00 0.00 N ATOM 0 H ARG A 115 21.938 5.771 -6.862 1.00 0.00 H new ATOM 0 HA ARG A 115 22.431 3.522 -8.552 1.00 0.00 H new ATOM 0 HB2 ARG A 115 21.395 4.018 -6.025 1.00 0.00 H new ATOM 0 HB3 ARG A 115 19.927 3.656 -6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 115 22.410 1.891 -6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 115 20.803 1.544 -6.055 1.00 0.00 H new ATOM 0 HD2 ARG A 115 19.914 1.475 -8.387 1.00 0.00 H new ATOM 0 HD3 ARG A 115 21.497 1.885 -9.018 1.00 0.00 H new ATOM 0 HE ARG A 115 20.645 -0.783 -8.175 1.00 0.00 H new ATOM 0 HH11 ARG A 115 22.805 -0.174 -6.156 1.00 0.00 H new ATOM 0 HH12 ARG A 115 24.265 -0.688 -7.009 1.00 0.00 H new ATOM 0 HH21 ARG A 115 22.725 -0.701 -10.149 1.00 0.00 H new ATOM 0 HH22 ARG A 115 24.220 -0.984 -9.251 1.00 0.00 H new ATOM 1873 N LEU A 116 19.574 5.096 -9.005 1.00 0.00 N ATOM 1874 CA LEU A 116 18.482 5.294 -9.991 1.00 0.00 C ATOM 1875 C LEU A 116 19.110 5.630 -11.352 1.00 0.00 C ATOM 1876 O LEU A 116 18.732 5.074 -12.363 1.00 0.00 O ATOM 1877 CB LEU A 116 17.600 6.459 -9.528 1.00 0.00 C ATOM 1878 CG LEU A 116 16.399 6.592 -10.464 1.00 0.00 C ATOM 1879 CD1 LEU A 116 15.177 5.926 -9.824 1.00 0.00 C ATOM 1880 CD2 LEU A 116 16.104 8.073 -10.709 1.00 0.00 C ATOM 0 H LEU A 116 19.496 5.659 -8.158 1.00 0.00 H new ATOM 0 HA LEU A 116 17.875 4.393 -10.077 1.00 0.00 H new ATOM 0 HB2 LEU A 116 17.261 6.289 -8.506 1.00 0.00 H new ATOM 0 HB3 LEU A 116 18.175 7.385 -9.523 1.00 0.00 H new ATOM 0 HG LEU A 116 16.622 6.105 -11.413 1.00 0.00 H new ATOM 0 HD11 LEU A 116 14.320 6.020 -10.491 1.00 0.00 H new ATOM 0 HD12 LEU A 116 15.387 4.871 -9.650 1.00 0.00 H new ATOM 0 HD13 LEU A 116 14.953 6.412 -8.875 1.00 0.00 H new ATOM 0 HD21 LEU A 116 15.248 8.168 -11.377 1.00 0.00 H new ATOM 0 HD22 LEU A 116 15.881 8.561 -9.760 1.00 0.00 H new ATOM 0 HD23 LEU A 116 16.973 8.547 -11.165 1.00 0.00 H new ATOM 1892 N LYS A 117 20.071 6.536 -11.398 1.00 0.00 N ATOM 1893 CA LYS A 117 20.700 6.880 -12.707 1.00 0.00 C ATOM 1894 C LYS A 117 21.475 5.677 -13.251 1.00 0.00 C ATOM 1895 O LYS A 117 21.612 5.507 -14.444 1.00 0.00 O ATOM 1896 CB LYS A 117 21.658 8.058 -12.515 1.00 0.00 C ATOM 1897 CG LYS A 117 22.031 8.641 -13.879 1.00 0.00 C ATOM 1898 CD LYS A 117 23.078 9.742 -13.695 1.00 0.00 C ATOM 1899 CE LYS A 117 24.189 9.570 -14.733 1.00 0.00 C ATOM 1900 NZ LYS A 117 25.126 10.725 -14.653 1.00 0.00 N ATOM 0 H LYS A 117 20.437 7.042 -10.591 1.00 0.00 H new ATOM 0 HA LYS A 117 19.919 7.151 -13.418 1.00 0.00 H new ATOM 0 HB2 LYS A 117 21.190 8.824 -11.896 1.00 0.00 H new ATOM 0 HB3 LYS A 117 22.555 7.729 -11.991 1.00 0.00 H new ATOM 0 HG2 LYS A 117 22.423 7.857 -14.527 1.00 0.00 H new ATOM 0 HG3 LYS A 117 21.145 9.045 -14.368 1.00 0.00 H new ATOM 0 HD2 LYS A 117 22.613 10.722 -13.803 1.00 0.00 H new ATOM 0 HD3 LYS A 117 23.496 9.697 -12.689 1.00 0.00 H new ATOM 0 HE2 LYS A 117 24.727 8.639 -14.555 1.00 0.00 H new ATOM 0 HE3 LYS A 117 23.760 9.504 -15.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 25.881 10.609 -15.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 24.608 11.606 -14.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 25.544 10.768 -13.702 1.00 0.00 H new ATOM 1914 N THR A 118 21.991 4.846 -12.388 1.00 0.00 N ATOM 1915 CA THR A 118 22.763 3.663 -12.865 1.00 0.00 C ATOM 1916 C THR A 118 21.858 2.734 -13.682 1.00 0.00 C ATOM 1917 O THR A 118 22.276 2.155 -14.662 1.00 0.00 O ATOM 1918 CB THR A 118 23.318 2.900 -11.660 1.00 0.00 C ATOM 1919 OG1 THR A 118 23.627 3.820 -10.622 1.00 0.00 O ATOM 1920 CG2 THR A 118 24.586 2.147 -12.069 1.00 0.00 C ATOM 0 H THR A 118 21.912 4.934 -11.375 1.00 0.00 H new ATOM 0 HA THR A 118 23.583 4.005 -13.497 1.00 0.00 H new ATOM 0 HB THR A 118 22.573 2.187 -11.307 1.00 0.00 H new ATOM 0 HG1 THR A 118 23.534 4.736 -10.958 1.00 0.00 H new ATOM 0 HG21 THR A 118 24.980 1.604 -11.210 1.00 0.00 H new ATOM 0 HG22 THR A 118 24.349 1.442 -12.866 1.00 0.00 H new ATOM 0 HG23 THR A 118 25.333 2.858 -12.423 1.00 0.00 H new ATOM 1928 N ILE A 119 20.625 2.574 -13.281 1.00 0.00 N ATOM 1929 CA ILE A 119 19.710 1.668 -14.029 1.00 0.00 C ATOM 1930 C ILE A 119 19.501 2.170 -15.462 1.00 0.00 C ATOM 1931 O ILE A 119 19.628 1.423 -16.412 1.00 0.00 O ATOM 1932 CB ILE A 119 18.374 1.597 -13.315 1.00 0.00 C ATOM 1933 CG1 ILE A 119 18.574 1.027 -11.910 1.00 0.00 C ATOM 1934 CG2 ILE A 119 17.416 0.700 -14.101 1.00 0.00 C ATOM 1935 CD1 ILE A 119 18.548 2.166 -10.890 1.00 0.00 C ATOM 0 H ILE A 119 20.213 3.032 -12.468 1.00 0.00 H new ATOM 0 HA ILE A 119 20.160 0.676 -14.072 1.00 0.00 H new ATOM 0 HB ILE A 119 17.951 2.599 -13.243 1.00 0.00 H new ATOM 0 HG12 ILE A 119 17.790 0.304 -11.684 1.00 0.00 H new ATOM 0 HG13 ILE A 119 19.524 0.495 -11.853 1.00 0.00 H new ATOM 0 HG21 ILE A 119 16.457 0.651 -13.585 1.00 0.00 H new ATOM 0 HG22 ILE A 119 17.270 1.111 -15.100 1.00 0.00 H new ATOM 0 HG23 ILE A 119 17.837 -0.302 -14.179 1.00 0.00 H new ATOM 0 HD11 ILE A 119 18.690 1.761 -9.888 1.00 0.00 H new ATOM 0 HD12 ILE A 119 19.348 2.872 -11.113 1.00 0.00 H new ATOM 0 HD13 ILE A 119 17.587 2.678 -10.941 1.00 0.00 H new ATOM 1947 N MET A 120 19.171 3.422 -15.633 1.00 0.00 N ATOM 1948 CA MET A 120 18.947 3.944 -17.013 1.00 0.00 C ATOM 1949 C MET A 120 20.251 3.885 -17.806 1.00 0.00 C ATOM 1950 O MET A 120 20.292 3.371 -18.903 1.00 0.00 O ATOM 1951 CB MET A 120 18.463 5.395 -16.946 1.00 0.00 C ATOM 1952 CG MET A 120 17.135 5.465 -16.189 1.00 0.00 C ATOM 1953 SD MET A 120 17.421 6.097 -14.521 1.00 0.00 S ATOM 1954 CE MET A 120 15.734 5.878 -13.906 1.00 0.00 C ATOM 0 H MET A 120 19.047 4.102 -14.883 1.00 0.00 H new ATOM 0 HA MET A 120 18.193 3.331 -17.506 1.00 0.00 H new ATOM 0 HB2 MET A 120 19.209 6.014 -16.448 1.00 0.00 H new ATOM 0 HB3 MET A 120 18.339 5.793 -17.953 1.00 0.00 H new ATOM 0 HG2 MET A 120 16.436 6.112 -16.719 1.00 0.00 H new ATOM 0 HG3 MET A 120 16.680 4.476 -16.141 1.00 0.00 H new ATOM 0 HE1 MET A 120 15.362 6.827 -13.520 1.00 0.00 H new ATOM 0 HE2 MET A 120 15.091 5.540 -14.719 1.00 0.00 H new ATOM 0 HE3 MET A 120 15.731 5.135 -13.108 1.00 0.00 H new ATOM 1964 N ARG A 121 21.317 4.394 -17.262 1.00 0.00 N ATOM 1965 CA ARG A 121 22.611 4.350 -17.994 1.00 0.00 C ATOM 1966 C ARG A 121 22.847 2.926 -18.478 1.00 0.00 C ATOM 1967 O ARG A 121 23.410 2.700 -19.525 1.00 0.00 O ATOM 1968 CB ARG A 121 23.737 4.741 -17.043 1.00 0.00 C ATOM 1969 CG ARG A 121 24.359 6.063 -17.496 1.00 0.00 C ATOM 1970 CD ARG A 121 24.907 6.815 -16.282 1.00 0.00 C ATOM 1971 NE ARG A 121 26.395 6.840 -16.342 1.00 0.00 N ATOM 1972 CZ ARG A 121 27.071 5.730 -16.228 1.00 0.00 C ATOM 1973 NH1 ARG A 121 26.604 4.755 -15.500 1.00 0.00 N ATOM 1974 NH2 ARG A 121 28.214 5.596 -16.843 1.00 0.00 N ATOM 0 H ARG A 121 21.350 4.838 -16.344 1.00 0.00 H new ATOM 0 HA ARG A 121 22.586 5.038 -18.839 1.00 0.00 H new ATOM 0 HB2 ARG A 121 23.351 4.838 -16.028 1.00 0.00 H new ATOM 0 HB3 ARG A 121 24.496 3.959 -17.022 1.00 0.00 H new ATOM 0 HG2 ARG A 121 25.160 5.874 -18.211 1.00 0.00 H new ATOM 0 HG3 ARG A 121 23.613 6.671 -18.007 1.00 0.00 H new ATOM 0 HD2 ARG A 121 24.516 7.832 -16.265 1.00 0.00 H new ATOM 0 HD3 ARG A 121 24.578 6.331 -15.362 1.00 0.00 H new ATOM 0 HE ARG A 121 26.885 7.725 -16.472 1.00 0.00 H new ATOM 0 HH11 ARG A 121 25.710 4.860 -15.020 1.00 0.00 H new ATOM 0 HH12 ARG A 121 27.132 3.887 -15.411 1.00 0.00 H new ATOM 0 HH21 ARG A 121 28.579 6.359 -17.413 1.00 0.00 H new ATOM 0 HH22 ARG A 121 28.742 4.728 -16.754 1.00 0.00 H new ATOM 1988 N GLU A 122 22.417 1.969 -17.710 1.00 0.00 N ATOM 1989 CA GLU A 122 22.601 0.543 -18.106 1.00 0.00 C ATOM 1990 C GLU A 122 21.750 0.239 -19.343 1.00 0.00 C ATOM 1991 O GLU A 122 22.233 -0.296 -20.321 1.00 0.00 O ATOM 1992 CB GLU A 122 22.137 -0.366 -16.959 1.00 0.00 C ATOM 1993 CG GLU A 122 23.094 -0.284 -15.755 1.00 0.00 C ATOM 1994 CD GLU A 122 22.345 -0.707 -14.490 1.00 0.00 C ATOM 1995 OE1 GLU A 122 21.596 -1.667 -14.560 1.00 0.00 O ATOM 1996 OE2 GLU A 122 22.533 -0.061 -13.471 1.00 0.00 O ATOM 0 H GLU A 122 21.942 2.111 -16.818 1.00 0.00 H new ATOM 0 HA GLU A 122 23.654 0.365 -18.326 1.00 0.00 H new ATOM 0 HB2 GLU A 122 21.133 -0.078 -16.648 1.00 0.00 H new ATOM 0 HB3 GLU A 122 22.079 -1.396 -17.310 1.00 0.00 H new ATOM 0 HG2 GLU A 122 23.956 -0.931 -15.915 1.00 0.00 H new ATOM 0 HG3 GLU A 122 23.474 0.732 -15.645 1.00 0.00 H new ATOM 2003 N LYS A 123 20.488 0.574 -19.311 1.00 0.00 N ATOM 2004 CA LYS A 123 19.620 0.294 -20.494 1.00 0.00 C ATOM 2005 C LYS A 123 20.249 0.922 -21.741 1.00 0.00 C ATOM 2006 O LYS A 123 20.341 0.307 -22.785 1.00 0.00 O ATOM 2007 CB LYS A 123 18.233 0.896 -20.263 1.00 0.00 C ATOM 2008 CG LYS A 123 17.564 0.194 -19.079 1.00 0.00 C ATOM 2009 CD LYS A 123 17.136 -1.213 -19.496 1.00 0.00 C ATOM 2010 CE LYS A 123 15.828 -1.136 -20.287 1.00 0.00 C ATOM 2011 NZ LYS A 123 14.998 -2.339 -19.994 1.00 0.00 N ATOM 0 H LYS A 123 20.022 1.026 -18.524 1.00 0.00 H new ATOM 0 HA LYS A 123 19.528 -0.783 -20.634 1.00 0.00 H new ATOM 0 HB2 LYS A 123 18.317 1.965 -20.066 1.00 0.00 H new ATOM 0 HB3 LYS A 123 17.622 0.784 -21.159 1.00 0.00 H new ATOM 0 HG2 LYS A 123 18.254 0.141 -18.237 1.00 0.00 H new ATOM 0 HG3 LYS A 123 16.698 0.765 -18.746 1.00 0.00 H new ATOM 0 HD2 LYS A 123 17.914 -1.676 -20.103 1.00 0.00 H new ATOM 0 HD3 LYS A 123 17.004 -1.841 -18.615 1.00 0.00 H new ATOM 0 HE2 LYS A 123 15.282 -0.231 -20.020 1.00 0.00 H new ATOM 0 HE3 LYS A 123 16.039 -1.078 -21.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 14.253 -2.430 -20.714 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 15.599 -3.187 -20.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 14.562 -2.240 -19.055 1.00 0.00 H new ATOM 2025 N TYR A 124 20.688 2.141 -21.626 1.00 0.00 N ATOM 2026 CA TYR A 124 21.320 2.836 -22.769 1.00 0.00 C ATOM 2027 C TYR A 124 22.683 2.202 -23.056 1.00 0.00 C ATOM 2028 O TYR A 124 23.160 2.214 -24.174 1.00 0.00 O ATOM 2029 CB TYR A 124 21.471 4.329 -22.445 1.00 0.00 C ATOM 2030 CG TYR A 124 20.285 5.076 -23.016 1.00 0.00 C ATOM 2031 CD1 TYR A 124 19.055 4.421 -23.174 1.00 0.00 C ATOM 2032 CD2 TYR A 124 20.420 6.414 -23.407 1.00 0.00 C ATOM 2033 CE1 TYR A 124 17.963 5.105 -23.718 1.00 0.00 C ATOM 2034 CE2 TYR A 124 19.326 7.096 -23.953 1.00 0.00 C ATOM 2035 CZ TYR A 124 18.098 6.442 -24.109 1.00 0.00 C ATOM 2036 OH TYR A 124 17.021 7.116 -24.648 1.00 0.00 O ATOM 0 H TYR A 124 20.633 2.693 -20.770 1.00 0.00 H new ATOM 0 HA TYR A 124 20.694 2.737 -23.656 1.00 0.00 H new ATOM 0 HB2 TYR A 124 21.526 4.477 -21.367 1.00 0.00 H new ATOM 0 HB3 TYR A 124 22.399 4.715 -22.868 1.00 0.00 H new ATOM 0 HD1 TYR A 124 18.951 3.388 -22.876 1.00 0.00 H new ATOM 0 HD2 TYR A 124 21.367 6.919 -23.287 1.00 0.00 H new ATOM 0 HE1 TYR A 124 17.015 4.601 -23.836 1.00 0.00 H new ATOM 0 HE2 TYR A 124 19.430 8.128 -24.254 1.00 0.00 H new ATOM 0 HH TYR A 124 16.251 6.512 -24.702 1.00 0.00 H new ATOM 2046 N SER A 125 23.316 1.645 -22.056 1.00 0.00 N ATOM 2047 CA SER A 125 24.648 1.013 -22.279 1.00 0.00 C ATOM 2048 C SER A 125 24.528 -0.053 -23.365 1.00 0.00 C ATOM 2049 O SER A 125 25.386 -0.192 -24.214 1.00 0.00 O ATOM 2050 CB SER A 125 25.130 0.368 -20.978 1.00 0.00 C ATOM 2051 OG SER A 125 26.279 -0.424 -21.242 1.00 0.00 O ATOM 0 H SER A 125 22.969 1.601 -21.098 1.00 0.00 H new ATOM 0 HA SER A 125 25.364 1.772 -22.594 1.00 0.00 H new ATOM 0 HB2 SER A 125 25.366 1.138 -20.243 1.00 0.00 H new ATOM 0 HB3 SER A 125 24.340 -0.249 -20.550 1.00 0.00 H new ATOM 0 HG SER A 125 26.590 -0.837 -20.409 1.00 0.00 H new ATOM 2057 N LYS A 126 23.467 -0.805 -23.344 1.00 0.00 N ATOM 2058 CA LYS A 126 23.280 -1.865 -24.375 1.00 0.00 C ATOM 2059 C LYS A 126 22.114 -1.481 -25.288 1.00 0.00 C ATOM 2060 O LYS A 126 21.378 -2.325 -25.760 1.00 0.00 O ATOM 2061 CB LYS A 126 22.974 -3.197 -23.689 1.00 0.00 C ATOM 2062 CG LYS A 126 23.035 -4.327 -24.719 1.00 0.00 C ATOM 2063 CD LYS A 126 23.180 -5.669 -23.998 1.00 0.00 C ATOM 2064 CE LYS A 126 24.611 -5.817 -23.478 1.00 0.00 C ATOM 2065 NZ LYS A 126 25.253 -6.998 -24.124 1.00 0.00 N ATOM 0 H LYS A 126 22.717 -0.733 -22.656 1.00 0.00 H new ATOM 0 HA LYS A 126 24.190 -1.964 -24.966 1.00 0.00 H new ATOM 0 HB2 LYS A 126 23.692 -3.380 -22.890 1.00 0.00 H new ATOM 0 HB3 LYS A 126 21.987 -3.163 -23.229 1.00 0.00 H new ATOM 0 HG2 LYS A 126 22.132 -4.326 -25.329 1.00 0.00 H new ATOM 0 HG3 LYS A 126 23.876 -4.172 -25.394 1.00 0.00 H new ATOM 0 HD2 LYS A 126 22.473 -5.727 -23.170 1.00 0.00 H new ATOM 0 HD3 LYS A 126 22.943 -6.487 -24.678 1.00 0.00 H new ATOM 0 HE2 LYS A 126 25.183 -4.915 -23.694 1.00 0.00 H new ATOM 0 HE3 LYS A 126 24.605 -5.939 -22.395 1.00 0.00 H new ATOM 0 HZ1 LYS A 126 26.226 -7.100 -23.772 1.00 0.00 H new ATOM 0 HZ2 LYS A 126 24.711 -7.856 -23.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 126 25.271 -6.863 -25.155 1.00 0.00 H new