USER MOD reduce.3.24.130724 H: found=0, std=0, add=787, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 787 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 52 SER OG : rot 30:sc= -2.48 USER MOD Set 1.2: A 64 MET CE :methyl -101:sc= -8.62! (180deg=-10.3!) USER MOD Set 2.1: A 43 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 46 LYS NZ :NH3+ 157:sc= -0.889 (180deg=-1.6!) USER MOD Set 3.1: A 35 LYS NZ :NH3+ 171:sc= 0.00769 (180deg=0) USER MOD Set 3.2: A 84 SER OG : rot -70:sc=-0.00089 USER MOD Set 4.1: A 18 THR OG1 : rot -160:sc= 0 USER MOD Set 4.2: A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= 0.564 K(o=0.56,f=-0.15) USER MOD Single : A 14 MET CE :methyl -145:sc= -0.697 (180deg=-2.62!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00877 X(o=-0.0088,f=-0.085) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 MET CE :methyl 154:sc= -0.607 (180deg=-2.27!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.443 USER MOD Single : A 45 ASN : amide:sc= -0.161 X(o=-0.16,f=-0.0022) USER MOD Single : A 48 SER OG : rot -150:sc= 0.489 USER MOD Single : A 50 CYS SG : rot -150:sc= -2.13! USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ -110:sc= 0.0376 (180deg=-0.0135) USER MOD Single : A 60 MET CE :methyl 161:sc= -5.22! (180deg=-6.45!) USER MOD Single : A 61 ASN : amide:sc= -1.93! C(o=-1.9!,f=-2.2!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0964) USER MOD Single : A 71 ASN : amide:sc= -0.924 K(o=-0.92,f=-3.2!) USER MOD Single : A 76 SER OG : rot 180:sc= -0.0869 USER MOD Single : A 81 GLN : amide:sc= -0.337 K(o=-0.34,f=-1.1) USER MOD Single : A 86 SER OG : rot 140:sc= -0.522 USER MOD Single : A 87 THR OG1 : rot -66:sc= 1.1 USER MOD Single : A 88 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0309) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 HIS : no HE2:sc= -5.48! C(o=-5.5!,f=-9.2!) USER MOD Single : A 100 SER OG : rot 150:sc= 0.721 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 78 N LYS A 9 1.975 13.872 -7.625 1.00 0.00 N ATOM 79 CA LYS A 9 1.048 12.777 -7.395 1.00 0.00 C ATOM 80 C LYS A 9 1.720 11.457 -7.777 1.00 0.00 C ATOM 81 O LYS A 9 1.708 11.064 -8.943 1.00 0.00 O ATOM 82 CB LYS A 9 -0.272 13.029 -8.126 1.00 0.00 C ATOM 83 CG LYS A 9 -0.816 14.424 -7.811 1.00 0.00 C ATOM 84 CD LYS A 9 -2.344 14.448 -7.889 1.00 0.00 C ATOM 85 CE LYS A 9 -2.817 15.153 -9.161 1.00 0.00 C ATOM 86 NZ LYS A 9 -3.771 16.235 -8.830 1.00 0.00 N ATOM 0 HA LYS A 9 0.792 12.711 -6.338 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -0.122 12.928 -9.201 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.003 12.275 -7.834 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.495 14.727 -6.815 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -0.401 15.147 -8.513 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.729 13.428 -7.870 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -2.748 14.958 -7.015 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -1.961 15.566 -9.695 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -3.292 14.433 -9.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -4.082 16.703 -9.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -4.596 15.833 -8.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -3.306 16.930 -8.212 1.00 0.00 H new ATOM 100 N PRO A 10 2.305 10.790 -6.746 1.00 0.00 N ATOM 101 CA PRO A 10 2.981 9.522 -6.962 1.00 0.00 C ATOM 102 C PRO A 10 1.972 8.391 -7.166 1.00 0.00 C ATOM 103 O PRO A 10 2.058 7.645 -8.140 1.00 0.00 O ATOM 104 CB PRO A 10 3.853 9.327 -5.732 1.00 0.00 C ATOM 105 CG PRO A 10 3.286 10.253 -4.668 1.00 0.00 C ATOM 106 CD PRO A 10 2.339 11.225 -5.352 1.00 0.00 C ATOM 0 HA PRO A 10 3.587 9.517 -7.868 1.00 0.00 H new ATOM 0 HB2 PRO A 10 3.831 8.289 -5.399 1.00 0.00 H new ATOM 0 HB3 PRO A 10 4.893 9.571 -5.948 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.759 9.680 -3.905 1.00 0.00 H new ATOM 0 HG3 PRO A 10 4.088 10.792 -4.165 1.00 0.00 H new ATOM 0 HD2 PRO A 10 1.346 11.193 -4.903 1.00 0.00 H new ATOM 0 HD3 PRO A 10 2.695 12.252 -5.266 1.00 0.00 H new ATOM 114 N LEU A 11 1.038 8.298 -6.230 1.00 0.00 N ATOM 115 CA LEU A 11 0.014 7.270 -6.294 1.00 0.00 C ATOM 116 C LEU A 11 -0.894 7.536 -7.497 1.00 0.00 C ATOM 117 O LEU A 11 -1.671 6.669 -7.896 1.00 0.00 O ATOM 118 CB LEU A 11 -0.738 7.178 -4.965 1.00 0.00 C ATOM 119 CG LEU A 11 0.129 7.159 -3.704 1.00 0.00 C ATOM 120 CD1 LEU A 11 -0.737 7.159 -2.443 1.00 0.00 C ATOM 121 CD2 LEU A 11 1.106 5.982 -3.729 1.00 0.00 C ATOM 0 H LEU A 11 0.970 8.918 -5.423 1.00 0.00 H new ATOM 0 HA LEU A 11 0.467 6.290 -6.445 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.423 8.023 -4.898 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.347 6.274 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 11 0.725 8.072 -3.685 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -0.096 7.145 -1.561 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.357 8.056 -2.427 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -1.376 6.276 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 11 1.710 5.991 -2.822 1.00 0.00 H new ATOM 0 HD22 LEU A 11 0.548 5.047 -3.784 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.757 6.068 -4.599 1.00 0.00 H new ATOM 133 N SER A 12 -0.767 8.738 -8.040 1.00 0.00 N ATOM 134 CA SER A 12 -1.567 9.128 -9.188 1.00 0.00 C ATOM 135 C SER A 12 -1.635 7.977 -10.194 1.00 0.00 C ATOM 136 O SER A 12 -0.734 7.811 -11.015 1.00 0.00 O ATOM 137 CB SER A 12 -0.997 10.382 -9.855 1.00 0.00 C ATOM 138 OG SER A 12 -2.024 11.236 -10.351 1.00 0.00 O ATOM 0 H SER A 12 -0.122 9.454 -7.706 1.00 0.00 H new ATOM 0 HA SER A 12 -2.574 9.359 -8.841 1.00 0.00 H new ATOM 0 HB2 SER A 12 -0.386 10.929 -9.137 1.00 0.00 H new ATOM 0 HB3 SER A 12 -0.341 10.090 -10.675 1.00 0.00 H new ATOM 0 HG SER A 12 -1.620 12.026 -10.768 1.00 0.00 H new ATOM 144 N ASN A 13 -2.712 7.213 -10.098 1.00 0.00 N ATOM 145 CA ASN A 13 -2.910 6.082 -10.989 1.00 0.00 C ATOM 146 C ASN A 13 -2.310 4.827 -10.354 1.00 0.00 C ATOM 147 O ASN A 13 -1.630 4.051 -11.025 1.00 0.00 O ATOM 148 CB ASN A 13 -2.215 6.312 -12.332 1.00 0.00 C ATOM 149 CG ASN A 13 -2.906 5.527 -13.449 1.00 0.00 C ATOM 150 OD1 ASN A 13 -3.740 6.039 -14.178 1.00 0.00 O ATOM 151 ND2 ASN A 13 -2.514 4.259 -13.542 1.00 0.00 N ATOM 0 H ASN A 13 -3.458 7.354 -9.417 1.00 0.00 H new ATOM 0 HA ASN A 13 -3.981 5.964 -11.153 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.222 7.375 -12.572 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -1.171 6.008 -12.262 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -2.916 3.652 -14.256 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -1.811 3.894 -12.899 1.00 0.00 H new ATOM 158 N MET A 14 -2.582 4.665 -9.068 1.00 0.00 N ATOM 159 CA MET A 14 -2.078 3.516 -8.334 1.00 0.00 C ATOM 160 C MET A 14 -3.008 3.154 -7.175 1.00 0.00 C ATOM 161 O MET A 14 -3.263 3.979 -6.298 1.00 0.00 O ATOM 162 CB MET A 14 -0.682 3.830 -7.791 1.00 0.00 C ATOM 163 CG MET A 14 0.398 3.475 -8.815 1.00 0.00 C ATOM 164 SD MET A 14 1.359 2.089 -8.233 1.00 0.00 S ATOM 165 CE MET A 14 1.784 2.671 -6.600 1.00 0.00 C ATOM 0 H MET A 14 -3.145 5.311 -8.515 1.00 0.00 H new ATOM 0 HA MET A 14 -2.030 2.666 -9.015 1.00 0.00 H new ATOM 0 HB2 MET A 14 -0.616 4.888 -7.539 1.00 0.00 H new ATOM 0 HB3 MET A 14 -0.512 3.272 -6.870 1.00 0.00 H new ATOM 0 HG2 MET A 14 -0.063 3.232 -9.772 1.00 0.00 H new ATOM 0 HG3 MET A 14 1.048 4.334 -8.983 1.00 0.00 H new ATOM 0 HE1 MET A 14 2.785 2.326 -6.340 1.00 0.00 H new ATOM 0 HE2 MET A 14 1.760 3.761 -6.585 1.00 0.00 H new ATOM 0 HE3 MET A 14 1.067 2.282 -5.877 1.00 0.00 H new ATOM 175 N LYS A 15 -3.488 1.920 -7.207 1.00 0.00 N ATOM 176 CA LYS A 15 -4.385 1.439 -6.169 1.00 0.00 C ATOM 177 C LYS A 15 -3.561 0.950 -4.976 1.00 0.00 C ATOM 178 O LYS A 15 -2.673 0.113 -5.132 1.00 0.00 O ATOM 179 CB LYS A 15 -5.338 0.382 -6.732 1.00 0.00 C ATOM 180 CG LYS A 15 -6.588 1.034 -7.328 1.00 0.00 C ATOM 181 CD LYS A 15 -7.090 0.248 -8.541 1.00 0.00 C ATOM 182 CE LYS A 15 -8.618 0.163 -8.545 1.00 0.00 C ATOM 183 NZ LYS A 15 -9.152 0.501 -9.883 1.00 0.00 N ATOM 0 H LYS A 15 -3.273 1.238 -7.935 1.00 0.00 H new ATOM 0 HA LYS A 15 -5.020 2.248 -5.809 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.828 -0.202 -7.498 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -5.626 -0.311 -5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -7.372 1.084 -6.572 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -6.363 2.059 -7.622 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.746 0.728 -9.457 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -6.666 -0.756 -8.529 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -8.933 -0.842 -8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.028 0.845 -7.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.190 0.439 -9.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.867 1.469 -10.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.775 -0.166 -10.586 1.00 0.00 H new ATOM 197 N ILE A 16 -3.885 1.493 -3.812 1.00 0.00 N ATOM 198 CA ILE A 16 -3.186 1.123 -2.593 1.00 0.00 C ATOM 199 C ILE A 16 -4.108 0.270 -1.721 1.00 0.00 C ATOM 200 O ILE A 16 -5.287 0.583 -1.566 1.00 0.00 O ATOM 201 CB ILE A 16 -2.648 2.368 -1.885 1.00 0.00 C ATOM 202 CG1 ILE A 16 -1.530 3.023 -2.700 1.00 0.00 C ATOM 203 CG2 ILE A 16 -2.200 2.038 -0.460 1.00 0.00 C ATOM 204 CD1 ILE A 16 -2.063 3.559 -4.030 1.00 0.00 C ATOM 0 H ILE A 16 -4.622 2.187 -3.687 1.00 0.00 H new ATOM 0 HA ILE A 16 -2.312 0.514 -2.825 1.00 0.00 H new ATOM 0 HB ILE A 16 -3.458 3.093 -1.808 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -1.087 3.837 -2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -0.739 2.297 -2.887 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -1.822 2.940 0.021 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.047 1.652 0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -1.411 1.286 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -1.249 4.019 -4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -2.484 2.738 -4.611 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -2.837 4.302 -3.839 1.00 0.00 H new ATOM 216 N LEU A 17 -3.535 -0.792 -1.173 1.00 0.00 N ATOM 217 CA LEU A 17 -4.292 -1.693 -0.320 1.00 0.00 C ATOM 218 C LEU A 17 -3.774 -1.584 1.116 1.00 0.00 C ATOM 219 O LEU A 17 -2.664 -1.106 1.344 1.00 0.00 O ATOM 220 CB LEU A 17 -4.257 -3.117 -0.880 1.00 0.00 C ATOM 221 CG LEU A 17 -5.419 -4.026 -0.474 1.00 0.00 C ATOM 222 CD1 LEU A 17 -5.143 -4.701 0.871 1.00 0.00 C ATOM 223 CD2 LEU A 17 -6.741 -3.256 -0.469 1.00 0.00 C ATOM 0 H LEU A 17 -2.556 -1.049 -1.303 1.00 0.00 H new ATOM 0 HA LEU A 17 -5.344 -1.408 -0.303 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -4.231 -3.058 -1.968 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -3.326 -3.588 -0.564 1.00 0.00 H new ATOM 0 HG LEU A 17 -5.510 -4.817 -1.218 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -5.984 -5.341 1.136 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -4.238 -5.304 0.797 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -5.010 -3.940 1.640 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -7.551 -3.925 -0.177 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.679 -2.431 0.240 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -6.937 -2.863 -1.467 1.00 0.00 H new ATOM 235 N THR A 18 -4.602 -2.036 2.046 1.00 0.00 N ATOM 236 CA THR A 18 -4.242 -1.995 3.453 1.00 0.00 C ATOM 237 C THR A 18 -4.632 -3.304 4.142 1.00 0.00 C ATOM 238 O THR A 18 -5.642 -3.915 3.795 1.00 0.00 O ATOM 239 CB THR A 18 -4.900 -0.762 4.074 1.00 0.00 C ATOM 240 OG1 THR A 18 -6.286 -0.924 3.782 1.00 0.00 O ATOM 241 CG2 THR A 18 -4.517 0.533 3.354 1.00 0.00 C ATOM 0 H THR A 18 -5.522 -2.433 1.853 1.00 0.00 H new ATOM 0 HA THR A 18 -3.163 -1.905 3.582 1.00 0.00 H new ATOM 0 HB THR A 18 -4.617 -0.690 5.124 1.00 0.00 H new ATOM 0 HG1 THR A 18 -6.739 -0.058 3.854 1.00 0.00 H new ATOM 0 HG21 THR A 18 -5.011 1.377 3.835 1.00 0.00 H new ATOM 0 HG22 THR A 18 -3.437 0.670 3.402 1.00 0.00 H new ATOM 0 HG23 THR A 18 -4.830 0.476 2.311 1.00 0.00 H new ATOM 249 N LEU A 19 -3.811 -3.697 5.104 1.00 0.00 N ATOM 250 CA LEU A 19 -4.058 -4.922 5.845 1.00 0.00 C ATOM 251 C LEU A 19 -3.938 -4.640 7.344 1.00 0.00 C ATOM 252 O LEU A 19 -3.361 -3.631 7.745 1.00 0.00 O ATOM 253 CB LEU A 19 -3.135 -6.040 5.354 1.00 0.00 C ATOM 254 CG LEU A 19 -3.801 -7.393 5.092 1.00 0.00 C ATOM 255 CD1 LEU A 19 -3.004 -8.207 4.071 1.00 0.00 C ATOM 256 CD2 LEU A 19 -4.012 -8.161 6.398 1.00 0.00 C ATOM 0 H LEU A 19 -2.974 -3.189 5.388 1.00 0.00 H new ATOM 0 HA LEU A 19 -5.073 -5.276 5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -2.655 -5.709 4.433 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.346 -6.183 6.092 1.00 0.00 H new ATOM 0 HG LEU A 19 -4.786 -7.212 4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -3.498 -9.164 3.903 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.948 -7.657 3.131 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.997 -8.381 4.450 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -4.487 -9.119 6.184 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -3.049 -8.333 6.879 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.651 -7.580 7.063 1.00 0.00 H new ATOM 268 N GLY A 20 -4.494 -5.550 8.131 1.00 0.00 N ATOM 269 CA GLY A 20 -4.457 -5.412 9.577 1.00 0.00 C ATOM 270 C GLY A 20 -5.082 -4.087 10.017 1.00 0.00 C ATOM 271 O GLY A 20 -6.084 -3.651 9.451 1.00 0.00 O ATOM 0 H GLY A 20 -4.972 -6.386 7.794 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.992 -6.242 10.039 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -3.425 -5.465 9.925 1.00 0.00 H new ATOM 275 N LYS A 21 -4.466 -3.483 11.023 1.00 0.00 N ATOM 276 CA LYS A 21 -4.950 -2.217 11.545 1.00 0.00 C ATOM 277 C LYS A 21 -3.784 -1.231 11.641 1.00 0.00 C ATOM 278 O LYS A 21 -2.786 -1.506 12.305 1.00 0.00 O ATOM 279 CB LYS A 21 -5.685 -2.430 12.870 1.00 0.00 C ATOM 280 CG LYS A 21 -6.372 -1.142 13.329 1.00 0.00 C ATOM 281 CD LYS A 21 -5.612 -0.499 14.490 1.00 0.00 C ATOM 282 CE LYS A 21 -6.569 -0.092 15.613 1.00 0.00 C ATOM 283 NZ LYS A 21 -5.974 0.985 16.436 1.00 0.00 N ATOM 0 H LYS A 21 -3.636 -3.847 11.490 1.00 0.00 H new ATOM 0 HA LYS A 21 -5.683 -1.780 10.867 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -6.426 -3.221 12.756 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -4.980 -2.762 13.632 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -6.432 -0.441 12.496 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -7.395 -1.361 13.636 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -4.870 -1.198 14.875 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -5.070 0.377 14.134 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -7.514 0.247 15.189 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -6.792 -0.956 16.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -6.636 1.249 17.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -5.084 0.649 16.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -5.784 1.814 15.838 1.00 0.00 H new ATOM 297 N LEU A 22 -3.949 -0.101 10.967 1.00 0.00 N ATOM 298 CA LEU A 22 -2.923 0.927 10.968 1.00 0.00 C ATOM 299 C LEU A 22 -3.222 1.940 12.075 1.00 0.00 C ATOM 300 O LEU A 22 -4.290 1.901 12.684 1.00 0.00 O ATOM 301 CB LEU A 22 -2.792 1.555 9.579 1.00 0.00 C ATOM 302 CG LEU A 22 -2.455 0.593 8.437 1.00 0.00 C ATOM 303 CD1 LEU A 22 -2.995 1.115 7.104 1.00 0.00 C ATOM 304 CD2 LEU A 22 -0.951 0.318 8.378 1.00 0.00 C ATOM 0 H LEU A 22 -4.778 0.124 10.417 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.948 0.492 11.189 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.729 2.058 9.339 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.020 2.323 9.621 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.949 -0.359 8.634 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.742 0.413 6.309 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -4.078 1.218 7.166 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.550 2.086 6.886 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.738 -0.368 7.558 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.416 1.254 8.216 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.625 -0.128 9.318 1.00 0.00 H new ATOM 316 N SER A 23 -2.261 2.823 12.301 1.00 0.00 N ATOM 317 CA SER A 23 -2.408 3.844 13.324 1.00 0.00 C ATOM 318 C SER A 23 -3.590 4.756 12.987 1.00 0.00 C ATOM 319 O SER A 23 -4.401 5.073 13.855 1.00 0.00 O ATOM 320 CB SER A 23 -1.127 4.668 13.468 1.00 0.00 C ATOM 321 OG SER A 23 -1.258 5.691 14.452 1.00 0.00 O ATOM 0 H SER A 23 -1.377 2.853 11.793 1.00 0.00 H new ATOM 0 HA SER A 23 -2.599 3.349 14.276 1.00 0.00 H new ATOM 0 HB2 SER A 23 -0.301 4.010 13.737 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.876 5.119 12.508 1.00 0.00 H new ATOM 0 HG SER A 23 -0.419 6.194 14.515 1.00 0.00 H new ATOM 327 N ARG A 24 -3.650 5.151 11.723 1.00 0.00 N ATOM 328 CA ARG A 24 -4.719 6.019 11.261 1.00 0.00 C ATOM 329 C ARG A 24 -5.955 5.193 10.899 1.00 0.00 C ATOM 330 O ARG A 24 -5.912 3.964 10.917 1.00 0.00 O ATOM 331 CB ARG A 24 -4.281 6.830 10.039 1.00 0.00 C ATOM 332 CG ARG A 24 -3.387 8.001 10.451 1.00 0.00 C ATOM 333 CD ARG A 24 -3.842 9.300 9.782 1.00 0.00 C ATOM 334 NE ARG A 24 -2.885 10.387 10.086 1.00 0.00 N ATOM 335 CZ ARG A 24 -2.854 11.058 11.246 1.00 0.00 C ATOM 336 NH1 ARG A 24 -3.725 10.756 12.218 1.00 0.00 N ATOM 337 NH2 ARG A 24 -1.951 12.030 11.434 1.00 0.00 N ATOM 0 H ARG A 24 -2.976 4.886 11.005 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.961 6.706 12.072 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.744 6.185 9.343 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.159 7.205 9.513 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.411 8.118 11.534 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.354 7.789 10.176 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.913 9.158 8.704 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.837 9.571 10.134 1.00 0.00 H new ATOM 0 HE ARG A 24 -2.207 10.642 9.368 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.412 10.015 12.075 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.701 11.267 13.101 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -1.287 12.259 10.694 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -1.928 12.541 12.317 1.00 0.00 H new ATOM 351 N ASN A 25 -7.029 5.901 10.579 1.00 0.00 N ATOM 352 CA ASN A 25 -8.274 5.249 10.214 1.00 0.00 C ATOM 353 C ASN A 25 -8.300 5.017 8.702 1.00 0.00 C ATOM 354 O ASN A 25 -7.761 5.818 7.939 1.00 0.00 O ATOM 355 CB ASN A 25 -9.479 6.118 10.580 1.00 0.00 C ATOM 356 CG ASN A 25 -10.006 5.767 11.973 1.00 0.00 C ATOM 357 OD1 ASN A 25 -10.377 4.640 12.259 1.00 0.00 O ATOM 358 ND2 ASN A 25 -10.018 6.792 12.820 1.00 0.00 N ATOM 0 H ASN A 25 -7.062 6.920 10.565 1.00 0.00 H new ATOM 0 HA ASN A 25 -8.332 4.305 10.757 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.196 7.170 10.549 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.270 5.979 9.843 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -10.352 6.661 13.775 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -9.693 7.709 12.515 1.00 0.00 H new ATOM 365 N LYS A 26 -8.931 3.919 8.314 1.00 0.00 N ATOM 366 CA LYS A 26 -9.034 3.573 6.907 1.00 0.00 C ATOM 367 C LYS A 26 -9.304 4.839 6.092 1.00 0.00 C ATOM 368 O LYS A 26 -8.638 5.091 5.090 1.00 0.00 O ATOM 369 CB LYS A 26 -10.079 2.474 6.700 1.00 0.00 C ATOM 370 CG LYS A 26 -10.044 1.947 5.264 1.00 0.00 C ATOM 371 CD LYS A 26 -10.736 0.586 5.163 1.00 0.00 C ATOM 372 CE LYS A 26 -9.792 -0.468 4.581 1.00 0.00 C ATOM 373 NZ LYS A 26 -9.360 -1.414 5.634 1.00 0.00 N ATOM 0 H LYS A 26 -9.376 3.257 8.950 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.092 3.158 6.548 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.894 1.656 7.396 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -11.072 2.865 6.924 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -10.534 2.659 4.600 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -9.010 1.859 4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -11.073 0.271 6.151 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -11.623 0.671 4.535 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -10.293 -1.011 3.779 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.921 0.018 4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -8.720 -2.123 5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -8.864 -0.894 6.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -10.193 -1.891 6.035 1.00 0.00 H new ATOM 387 N ASP A 27 -10.284 5.603 6.554 1.00 0.00 N ATOM 388 CA ASP A 27 -10.651 6.838 5.880 1.00 0.00 C ATOM 389 C ASP A 27 -9.415 7.730 5.752 1.00 0.00 C ATOM 390 O ASP A 27 -8.947 7.994 4.646 1.00 0.00 O ATOM 391 CB ASP A 27 -11.708 7.605 6.676 1.00 0.00 C ATOM 392 CG ASP A 27 -12.277 8.839 5.972 1.00 0.00 C ATOM 393 OD1 ASP A 27 -11.899 9.048 4.799 1.00 0.00 O ATOM 394 OD2 ASP A 27 -13.079 9.544 6.623 1.00 0.00 O ATOM 0 H ASP A 27 -10.835 5.391 7.386 1.00 0.00 H new ATOM 0 HA ASP A 27 -11.053 6.582 4.900 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -12.529 6.927 6.909 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -11.272 7.915 7.626 1.00 0.00 H new ATOM 399 N GLU A 28 -8.921 8.171 6.900 1.00 0.00 N ATOM 400 CA GLU A 28 -7.749 9.029 6.930 1.00 0.00 C ATOM 401 C GLU A 28 -6.732 8.575 5.881 1.00 0.00 C ATOM 402 O GLU A 28 -6.069 9.401 5.255 1.00 0.00 O ATOM 403 CB GLU A 28 -7.123 9.053 8.326 1.00 0.00 C ATOM 404 CG GLU A 28 -8.057 9.724 9.335 1.00 0.00 C ATOM 405 CD GLU A 28 -7.279 10.654 10.268 1.00 0.00 C ATOM 406 OE1 GLU A 28 -6.793 11.689 9.763 1.00 0.00 O ATOM 407 OE2 GLU A 28 -7.189 10.310 11.466 1.00 0.00 O ATOM 0 H GLU A 28 -9.311 7.950 7.816 1.00 0.00 H new ATOM 0 HA GLU A 28 -8.061 10.046 6.690 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.905 8.035 8.648 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -6.173 9.587 8.293 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -8.823 10.291 8.806 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -8.572 8.963 9.921 1.00 0.00 H new ATOM 414 N VAL A 29 -6.640 7.262 5.721 1.00 0.00 N ATOM 415 CA VAL A 29 -5.715 6.689 4.759 1.00 0.00 C ATOM 416 C VAL A 29 -6.310 6.805 3.354 1.00 0.00 C ATOM 417 O VAL A 29 -5.673 7.341 2.449 1.00 0.00 O ATOM 418 CB VAL A 29 -5.382 5.247 5.149 1.00 0.00 C ATOM 419 CG1 VAL A 29 -4.474 4.593 4.105 1.00 0.00 C ATOM 420 CG2 VAL A 29 -4.748 5.188 6.540 1.00 0.00 C ATOM 0 H VAL A 29 -7.191 6.580 6.242 1.00 0.00 H new ATOM 0 HA VAL A 29 -4.774 7.239 4.760 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.315 4.685 5.182 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -4.252 3.569 4.406 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -4.977 4.586 3.138 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -3.545 5.157 4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -4.521 4.152 6.793 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -3.828 5.773 6.546 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.442 5.597 7.274 1.00 0.00 H new ATOM 430 N LYS A 30 -7.525 6.295 3.216 1.00 0.00 N ATOM 431 CA LYS A 30 -8.213 6.336 1.937 1.00 0.00 C ATOM 432 C LYS A 30 -8.101 7.743 1.347 1.00 0.00 C ATOM 433 O LYS A 30 -8.035 7.906 0.130 1.00 0.00 O ATOM 434 CB LYS A 30 -9.655 5.845 2.088 1.00 0.00 C ATOM 435 CG LYS A 30 -10.451 6.081 0.804 1.00 0.00 C ATOM 436 CD LYS A 30 -11.953 5.933 1.055 1.00 0.00 C ATOM 437 CE LYS A 30 -12.610 5.079 -0.031 1.00 0.00 C ATOM 438 NZ LYS A 30 -12.827 3.698 0.456 1.00 0.00 N ATOM 0 H LYS A 30 -8.051 5.851 3.969 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.741 5.655 1.229 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -9.658 4.783 2.332 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -10.135 6.364 2.918 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -10.240 7.079 0.419 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -10.135 5.371 0.040 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -12.119 5.477 2.031 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -12.420 6.918 1.080 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -13.562 5.522 -0.324 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -11.980 5.063 -0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -13.274 3.132 -0.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -11.913 3.273 0.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -13.447 3.718 1.291 1.00 0.00 H new ATOM 452 N ALA A 31 -8.084 8.724 2.237 1.00 0.00 N ATOM 453 CA ALA A 31 -7.981 10.112 1.820 1.00 0.00 C ATOM 454 C ALA A 31 -6.550 10.396 1.358 1.00 0.00 C ATOM 455 O ALA A 31 -6.341 10.959 0.285 1.00 0.00 O ATOM 456 CB ALA A 31 -8.415 11.024 2.969 1.00 0.00 C ATOM 0 H ALA A 31 -8.140 8.585 3.246 1.00 0.00 H new ATOM 0 HA ALA A 31 -8.645 10.310 0.978 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.338 12.065 2.656 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -9.447 10.802 3.240 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.770 10.855 3.831 1.00 0.00 H new ATOM 462 N MET A 32 -5.602 9.994 2.193 1.00 0.00 N ATOM 463 CA MET A 32 -4.197 10.199 1.884 1.00 0.00 C ATOM 464 C MET A 32 -3.846 9.612 0.515 1.00 0.00 C ATOM 465 O MET A 32 -3.271 10.297 -0.329 1.00 0.00 O ATOM 466 CB MET A 32 -3.336 9.537 2.961 1.00 0.00 C ATOM 467 CG MET A 32 -2.508 10.577 3.717 1.00 0.00 C ATOM 468 SD MET A 32 -1.166 11.154 2.690 1.00 0.00 S ATOM 469 CE MET A 32 0.201 10.943 3.818 1.00 0.00 C ATOM 0 H MET A 32 -5.780 9.528 3.083 1.00 0.00 H new ATOM 0 HA MET A 32 -4.001 11.271 1.859 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.974 8.997 3.660 1.00 0.00 H new ATOM 0 HB3 MET A 32 -2.673 8.803 2.502 1.00 0.00 H new ATOM 0 HG2 MET A 32 -3.140 11.416 4.008 1.00 0.00 H new ATOM 0 HG3 MET A 32 -2.113 10.142 4.635 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.122 10.804 3.252 1.00 0.00 H new ATOM 0 HE2 MET A 32 0.293 11.828 4.448 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.024 10.069 4.444 1.00 0.00 H new ATOM 479 N ILE A 33 -4.205 8.349 0.339 1.00 0.00 N ATOM 480 CA ILE A 33 -3.935 7.662 -0.912 1.00 0.00 C ATOM 481 C ILE A 33 -4.633 8.400 -2.056 1.00 0.00 C ATOM 482 O ILE A 33 -4.117 8.455 -3.171 1.00 0.00 O ATOM 483 CB ILE A 33 -4.321 6.185 -0.807 1.00 0.00 C ATOM 484 CG1 ILE A 33 -3.526 5.488 0.299 1.00 0.00 C ATOM 485 CG2 ILE A 33 -4.165 5.480 -2.156 1.00 0.00 C ATOM 486 CD1 ILE A 33 -4.232 4.211 0.760 1.00 0.00 C ATOM 0 H ILE A 33 -4.681 7.784 1.042 1.00 0.00 H new ATOM 0 HA ILE A 33 -2.867 7.674 -1.129 1.00 0.00 H new ATOM 0 HB ILE A 33 -5.374 6.126 -0.533 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.527 5.245 -0.064 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -3.402 6.165 1.144 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -4.446 4.432 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -4.810 5.958 -2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.128 5.547 -2.484 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -3.646 3.735 1.546 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -5.221 4.461 1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -4.333 3.527 -0.082 1.00 0.00 H new ATOM 498 N GLU A 34 -5.797 8.949 -1.740 1.00 0.00 N ATOM 499 CA GLU A 34 -6.572 9.681 -2.727 1.00 0.00 C ATOM 500 C GLU A 34 -5.956 11.060 -2.969 1.00 0.00 C ATOM 501 O GLU A 34 -6.095 11.625 -4.053 1.00 0.00 O ATOM 502 CB GLU A 34 -8.035 9.802 -2.296 1.00 0.00 C ATOM 503 CG GLU A 34 -8.832 8.561 -2.705 1.00 0.00 C ATOM 504 CD GLU A 34 -10.331 8.862 -2.748 1.00 0.00 C ATOM 505 OE1 GLU A 34 -10.910 9.017 -1.651 1.00 0.00 O ATOM 506 OE2 GLU A 34 -10.864 8.929 -3.876 1.00 0.00 O ATOM 0 H GLU A 34 -6.222 8.901 -0.814 1.00 0.00 H new ATOM 0 HA GLU A 34 -6.549 9.125 -3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -8.090 9.934 -1.215 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.479 10.689 -2.748 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.498 8.216 -3.684 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -8.640 7.752 -2.000 1.00 0.00 H new ATOM 513 N LYS A 35 -5.288 11.563 -1.941 1.00 0.00 N ATOM 514 CA LYS A 35 -4.650 12.865 -2.028 1.00 0.00 C ATOM 515 C LYS A 35 -3.418 12.766 -2.931 1.00 0.00 C ATOM 516 O LYS A 35 -3.252 13.566 -3.851 1.00 0.00 O ATOM 517 CB LYS A 35 -4.345 13.407 -0.630 1.00 0.00 C ATOM 518 CG LYS A 35 -3.333 14.553 -0.695 1.00 0.00 C ATOM 519 CD LYS A 35 -1.962 14.102 -0.187 1.00 0.00 C ATOM 520 CE LYS A 35 -1.735 14.557 1.257 1.00 0.00 C ATOM 521 NZ LYS A 35 -0.650 15.561 1.319 1.00 0.00 N ATOM 0 H LYS A 35 -5.175 11.092 -1.043 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.324 13.589 -2.486 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -5.266 13.756 -0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.953 12.606 -0.003 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.246 14.908 -1.722 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -3.689 15.392 -0.097 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -1.888 13.016 -0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -1.180 14.510 -0.828 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.655 14.981 1.660 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.481 13.699 1.879 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -0.610 15.971 2.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 0.258 15.104 1.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -0.835 16.315 0.627 1.00 0.00 H new ATOM 535 N LEU A 36 -2.586 11.778 -2.636 1.00 0.00 N ATOM 536 CA LEU A 36 -1.375 11.563 -3.410 1.00 0.00 C ATOM 537 C LEU A 36 -1.741 11.389 -4.885 1.00 0.00 C ATOM 538 O LEU A 36 -0.904 11.589 -5.764 1.00 0.00 O ATOM 539 CB LEU A 36 -0.571 10.396 -2.834 1.00 0.00 C ATOM 540 CG LEU A 36 0.469 10.757 -1.771 1.00 0.00 C ATOM 541 CD1 LEU A 36 1.533 11.695 -2.342 1.00 0.00 C ATOM 542 CD2 LEU A 36 -0.201 11.341 -0.525 1.00 0.00 C ATOM 0 H LEU A 36 -2.727 11.117 -1.872 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.722 12.433 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.269 9.678 -2.402 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.062 9.891 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 36 0.977 9.842 -1.465 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.260 11.936 -1.566 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.039 11.207 -3.175 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.059 12.612 -2.693 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.560 11.589 0.215 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.751 12.242 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.890 10.608 -0.105 1.00 0.00 H new ATOM 554 N GLY A 37 -2.993 11.020 -5.111 1.00 0.00 N ATOM 555 CA GLY A 37 -3.481 10.817 -6.465 1.00 0.00 C ATOM 556 C GLY A 37 -3.890 9.359 -6.688 1.00 0.00 C ATOM 557 O GLY A 37 -4.432 9.016 -7.737 1.00 0.00 O ATOM 0 H GLY A 37 -3.685 10.856 -4.379 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.334 11.470 -6.650 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.706 11.095 -7.180 1.00 0.00 H new ATOM 561 N GLY A 38 -3.615 8.541 -5.683 1.00 0.00 N ATOM 562 CA GLY A 38 -3.948 7.128 -5.756 1.00 0.00 C ATOM 563 C GLY A 38 -5.410 6.889 -5.374 1.00 0.00 C ATOM 564 O GLY A 38 -6.216 7.818 -5.378 1.00 0.00 O ATOM 0 H GLY A 38 -3.166 8.829 -4.814 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -3.767 6.760 -6.766 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.297 6.562 -5.089 1.00 0.00 H new ATOM 568 N LYS A 39 -5.708 5.638 -5.054 1.00 0.00 N ATOM 569 CA LYS A 39 -7.059 5.265 -4.671 1.00 0.00 C ATOM 570 C LYS A 39 -7.013 3.983 -3.838 1.00 0.00 C ATOM 571 O LYS A 39 -6.407 2.994 -4.248 1.00 0.00 O ATOM 572 CB LYS A 39 -7.957 5.164 -5.906 1.00 0.00 C ATOM 573 CG LYS A 39 -8.480 6.542 -6.318 1.00 0.00 C ATOM 574 CD LYS A 39 -7.781 7.038 -7.585 1.00 0.00 C ATOM 575 CE LYS A 39 -8.799 7.409 -8.664 1.00 0.00 C ATOM 576 NZ LYS A 39 -8.181 7.337 -10.007 1.00 0.00 N ATOM 0 H LYS A 39 -5.037 4.870 -5.052 1.00 0.00 H new ATOM 0 HA LYS A 39 -7.504 6.037 -4.044 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -7.399 4.722 -6.731 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -8.796 4.500 -5.697 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -9.555 6.491 -6.488 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -8.319 7.253 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -7.164 7.905 -7.348 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -7.112 6.264 -7.962 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -9.653 6.734 -8.614 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -9.177 8.415 -8.485 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -8.886 7.592 -10.728 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -7.380 7.999 -10.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -7.842 6.370 -10.182 1.00 0.00 H new ATOM 590 N LEU A 40 -7.660 4.042 -2.684 1.00 0.00 N ATOM 591 CA LEU A 40 -7.701 2.898 -1.789 1.00 0.00 C ATOM 592 C LEU A 40 -8.658 1.847 -2.355 1.00 0.00 C ATOM 593 O LEU A 40 -9.726 2.184 -2.863 1.00 0.00 O ATOM 594 CB LEU A 40 -8.046 3.342 -0.366 1.00 0.00 C ATOM 595 CG LEU A 40 -7.873 2.285 0.727 1.00 0.00 C ATOM 596 CD1 LEU A 40 -6.968 2.800 1.848 1.00 0.00 C ATOM 597 CD2 LEU A 40 -9.229 1.815 1.256 1.00 0.00 C ATOM 0 H LEU A 40 -8.161 4.865 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 40 -6.718 2.431 -1.722 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.425 4.201 -0.114 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -9.081 3.683 -0.354 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.381 1.417 0.288 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.861 2.030 2.612 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.987 3.045 1.440 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.410 3.692 2.291 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.077 1.064 2.031 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.771 2.664 1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.808 1.382 0.440 1.00 0.00 H new ATOM 609 N THR A 41 -8.240 0.594 -2.248 1.00 0.00 N ATOM 610 CA THR A 41 -9.047 -0.509 -2.743 1.00 0.00 C ATOM 611 C THR A 41 -9.279 -1.539 -1.636 1.00 0.00 C ATOM 612 O THR A 41 -8.652 -1.472 -0.580 1.00 0.00 O ATOM 613 CB THR A 41 -8.351 -1.088 -3.976 1.00 0.00 C ATOM 614 OG1 THR A 41 -9.144 -2.220 -4.323 1.00 0.00 O ATOM 615 CG2 THR A 41 -6.979 -1.681 -3.650 1.00 0.00 C ATOM 0 H THR A 41 -7.353 0.318 -1.826 1.00 0.00 H new ATOM 0 HA THR A 41 -10.039 -0.170 -3.041 1.00 0.00 H new ATOM 0 HB THR A 41 -8.240 -0.308 -4.729 1.00 0.00 H new ATOM 0 HG1 THR A 41 -8.764 -2.655 -5.115 1.00 0.00 H new ATOM 0 HG21 THR A 41 -6.529 -2.078 -4.560 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.336 -0.904 -3.236 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.093 -2.484 -2.922 1.00 0.00 H new ATOM 623 N GLY A 42 -10.180 -2.469 -1.916 1.00 0.00 N ATOM 624 CA GLY A 42 -10.502 -3.512 -0.957 1.00 0.00 C ATOM 625 C GLY A 42 -9.729 -4.796 -1.263 1.00 0.00 C ATOM 626 O GLY A 42 -9.195 -5.434 -0.357 1.00 0.00 O ATOM 0 H GLY A 42 -10.697 -2.522 -2.793 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -10.263 -3.171 0.050 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.573 -3.714 -0.980 1.00 0.00 H new ATOM 630 N THR A 43 -9.694 -5.136 -2.543 1.00 0.00 N ATOM 631 CA THR A 43 -8.995 -6.333 -2.980 1.00 0.00 C ATOM 632 C THR A 43 -7.488 -6.078 -3.041 1.00 0.00 C ATOM 633 O THR A 43 -7.051 -4.930 -3.115 1.00 0.00 O ATOM 634 CB THR A 43 -9.593 -6.767 -4.320 1.00 0.00 C ATOM 635 OG1 THR A 43 -10.999 -6.646 -4.128 1.00 0.00 O ATOM 636 CG2 THR A 43 -9.382 -8.256 -4.600 1.00 0.00 C ATOM 0 H THR A 43 -10.138 -4.604 -3.291 1.00 0.00 H new ATOM 0 HA THR A 43 -9.126 -7.149 -2.270 1.00 0.00 H new ATOM 0 HB THR A 43 -9.148 -6.180 -5.123 1.00 0.00 H new ATOM 0 HG1 THR A 43 -11.465 -6.906 -4.950 1.00 0.00 H new ATOM 0 HG21 THR A 43 -9.825 -8.512 -5.563 1.00 0.00 H new ATOM 0 HG22 THR A 43 -8.314 -8.474 -4.623 1.00 0.00 H new ATOM 0 HG23 THR A 43 -9.856 -8.845 -3.815 1.00 0.00 H new ATOM 644 N ALA A 44 -6.734 -7.167 -3.008 1.00 0.00 N ATOM 645 CA ALA A 44 -5.284 -7.075 -3.058 1.00 0.00 C ATOM 646 C ALA A 44 -4.814 -7.288 -4.499 1.00 0.00 C ATOM 647 O ALA A 44 -3.906 -6.602 -4.967 1.00 0.00 O ATOM 648 CB ALA A 44 -4.674 -8.091 -2.090 1.00 0.00 C ATOM 0 H ALA A 44 -7.099 -8.117 -2.947 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.951 -6.086 -2.745 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.587 -8.022 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -5.016 -7.879 -1.077 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.984 -9.096 -2.375 1.00 0.00 H new ATOM 654 N ASN A 45 -5.454 -8.240 -5.162 1.00 0.00 N ATOM 655 CA ASN A 45 -5.113 -8.551 -6.540 1.00 0.00 C ATOM 656 C ASN A 45 -5.421 -7.340 -7.423 1.00 0.00 C ATOM 657 O ASN A 45 -4.729 -7.095 -8.410 1.00 0.00 O ATOM 658 CB ASN A 45 -5.934 -9.734 -7.057 1.00 0.00 C ATOM 659 CG ASN A 45 -5.692 -9.958 -8.551 1.00 0.00 C ATOM 660 OD1 ASN A 45 -4.694 -10.522 -8.967 1.00 0.00 O ATOM 661 ND2 ASN A 45 -6.659 -9.484 -9.332 1.00 0.00 N ATOM 0 H ASN A 45 -6.207 -8.806 -4.771 1.00 0.00 H new ATOM 0 HA ASN A 45 -4.053 -8.804 -6.576 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -5.669 -10.635 -6.503 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -6.994 -9.551 -6.880 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -6.591 -9.583 -10.345 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.469 -9.022 -8.918 1.00 0.00 H new ATOM 668 N LYS A 46 -6.459 -6.614 -7.036 1.00 0.00 N ATOM 669 CA LYS A 46 -6.867 -5.435 -7.780 1.00 0.00 C ATOM 670 C LYS A 46 -6.245 -4.192 -7.139 1.00 0.00 C ATOM 671 O LYS A 46 -6.872 -3.135 -7.090 1.00 0.00 O ATOM 672 CB LYS A 46 -8.392 -5.372 -7.890 1.00 0.00 C ATOM 673 CG LYS A 46 -8.940 -6.597 -8.624 1.00 0.00 C ATOM 674 CD LYS A 46 -9.387 -7.674 -7.634 1.00 0.00 C ATOM 675 CE LYS A 46 -10.452 -8.581 -8.254 1.00 0.00 C ATOM 676 NZ LYS A 46 -11.479 -8.937 -7.249 1.00 0.00 N ATOM 0 H LYS A 46 -7.030 -6.820 -6.216 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.498 -5.485 -8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.830 -5.315 -6.893 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.685 -4.465 -8.419 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.781 -6.303 -9.252 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -8.174 -7.002 -9.286 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -8.528 -8.272 -7.329 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.784 -7.204 -6.734 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.921 -8.076 -9.099 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.986 -9.486 -8.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.361 -9.202 -7.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.143 -9.738 -6.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.656 -8.121 -6.629 1.00 0.00 H new ATOM 690 N ALA A 47 -5.020 -4.361 -6.665 1.00 0.00 N ATOM 691 CA ALA A 47 -4.306 -3.266 -6.030 1.00 0.00 C ATOM 692 C ALA A 47 -2.919 -3.132 -6.663 1.00 0.00 C ATOM 693 O ALA A 47 -2.431 -4.064 -7.299 1.00 0.00 O ATOM 694 CB ALA A 47 -4.237 -3.509 -4.521 1.00 0.00 C ATOM 0 H ALA A 47 -4.503 -5.239 -6.708 1.00 0.00 H new ATOM 0 HA ALA A 47 -4.832 -2.324 -6.185 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -3.702 -2.688 -4.044 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -5.247 -3.568 -4.115 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -3.713 -4.445 -4.327 1.00 0.00 H new ATOM 700 N SER A 48 -2.325 -1.964 -6.466 1.00 0.00 N ATOM 701 CA SER A 48 -1.005 -1.695 -7.010 1.00 0.00 C ATOM 702 C SER A 48 0.045 -1.780 -5.900 1.00 0.00 C ATOM 703 O SER A 48 1.208 -2.085 -6.162 1.00 0.00 O ATOM 704 CB SER A 48 -0.955 -0.323 -7.683 1.00 0.00 C ATOM 705 OG SER A 48 -2.012 -0.151 -8.623 1.00 0.00 O ATOM 0 H SER A 48 -2.734 -1.193 -5.937 1.00 0.00 H new ATOM 0 HA SER A 48 -0.787 -2.448 -7.767 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.015 0.456 -6.923 1.00 0.00 H new ATOM 0 HB3 SER A 48 0.003 -0.202 -8.188 1.00 0.00 H new ATOM 0 HG SER A 48 -1.719 0.452 -9.338 1.00 0.00 H new ATOM 711 N LEU A 49 -0.402 -1.505 -4.683 1.00 0.00 N ATOM 712 CA LEU A 49 0.484 -1.547 -3.533 1.00 0.00 C ATOM 713 C LEU A 49 -0.311 -1.974 -2.297 1.00 0.00 C ATOM 714 O LEU A 49 -1.538 -1.890 -2.285 1.00 0.00 O ATOM 715 CB LEU A 49 1.209 -0.210 -3.366 1.00 0.00 C ATOM 716 CG LEU A 49 1.797 0.067 -1.981 1.00 0.00 C ATOM 717 CD1 LEU A 49 3.014 -0.821 -1.715 1.00 0.00 C ATOM 718 CD2 LEU A 49 2.122 1.552 -1.810 1.00 0.00 C ATOM 0 H LEU A 49 -1.367 -1.252 -4.469 1.00 0.00 H new ATOM 0 HA LEU A 49 1.266 -2.291 -3.682 1.00 0.00 H new ATOM 0 HB2 LEU A 49 2.016 -0.163 -4.097 1.00 0.00 H new ATOM 0 HB3 LEU A 49 0.512 0.592 -3.609 1.00 0.00 H new ATOM 0 HG LEU A 49 1.045 -0.185 -1.234 1.00 0.00 H new ATOM 0 HD11 LEU A 49 3.413 -0.604 -0.724 1.00 0.00 H new ATOM 0 HD12 LEU A 49 2.718 -1.869 -1.766 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.779 -0.624 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 49 2.538 1.721 -0.817 1.00 0.00 H new ATOM 0 HD22 LEU A 49 2.848 1.855 -2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 49 1.211 2.140 -1.926 1.00 0.00 H new ATOM 730 N CYS A 50 0.421 -2.422 -1.288 1.00 0.00 N ATOM 731 CA CYS A 50 -0.200 -2.863 -0.051 1.00 0.00 C ATOM 732 C CYS A 50 0.454 -2.109 1.110 1.00 0.00 C ATOM 733 O CYS A 50 1.659 -1.867 1.096 1.00 0.00 O ATOM 734 CB CYS A 50 -0.099 -4.379 0.125 1.00 0.00 C ATOM 735 SG CYS A 50 -1.281 -4.942 1.403 1.00 0.00 S ATOM 0 H CYS A 50 1.439 -2.489 -1.302 1.00 0.00 H new ATOM 0 HA CYS A 50 -1.266 -2.637 -0.076 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -0.309 -4.878 -0.821 1.00 0.00 H new ATOM 0 HB3 CYS A 50 0.916 -4.653 0.411 1.00 0.00 H new ATOM 0 HG CYS A 50 -0.809 -5.999 1.995 1.00 0.00 H new ATOM 741 N ILE A 51 -0.372 -1.759 2.085 1.00 0.00 N ATOM 742 CA ILE A 51 0.111 -1.038 3.251 1.00 0.00 C ATOM 743 C ILE A 51 -0.307 -1.787 4.518 1.00 0.00 C ATOM 744 O ILE A 51 -1.418 -1.604 5.014 1.00 0.00 O ATOM 745 CB ILE A 51 -0.360 0.417 3.214 1.00 0.00 C ATOM 746 CG1 ILE A 51 0.172 1.134 1.971 1.00 0.00 C ATOM 747 CG2 ILE A 51 0.018 1.149 4.503 1.00 0.00 C ATOM 748 CD1 ILE A 51 -0.183 2.622 2.002 1.00 0.00 C ATOM 0 H ILE A 51 -1.372 -1.961 2.092 1.00 0.00 H new ATOM 0 HA ILE A 51 1.200 -0.997 3.249 1.00 0.00 H new ATOM 0 HB ILE A 51 -1.448 0.422 3.148 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.254 1.016 1.914 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -0.246 0.675 1.075 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -0.329 2.181 4.450 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -0.449 0.652 5.354 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.101 1.136 4.625 1.00 0.00 H new ATOM 0 HD11 ILE A 51 0.207 3.108 1.107 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -1.266 2.737 2.035 1.00 0.00 H new ATOM 0 HD13 ILE A 51 0.257 3.083 2.886 1.00 0.00 H new ATOM 760 N SER A 52 0.605 -2.615 5.006 1.00 0.00 N ATOM 761 CA SER A 52 0.345 -3.393 6.205 1.00 0.00 C ATOM 762 C SER A 52 1.471 -3.182 7.220 1.00 0.00 C ATOM 763 O SER A 52 2.339 -2.334 7.021 1.00 0.00 O ATOM 764 CB SER A 52 0.198 -4.880 5.877 1.00 0.00 C ATOM 765 OG SER A 52 -0.408 -5.605 6.943 1.00 0.00 O ATOM 0 H SER A 52 1.525 -2.764 4.592 1.00 0.00 H new ATOM 0 HA SER A 52 -0.595 -3.050 6.637 1.00 0.00 H new ATOM 0 HB2 SER A 52 -0.402 -4.994 4.974 1.00 0.00 H new ATOM 0 HB3 SER A 52 1.180 -5.303 5.663 1.00 0.00 H new ATOM 0 HG SER A 52 -1.018 -5.016 7.434 1.00 0.00 H new ATOM 771 N THR A 53 1.420 -3.969 8.284 1.00 0.00 N ATOM 772 CA THR A 53 2.425 -3.879 9.330 1.00 0.00 C ATOM 773 C THR A 53 3.235 -5.175 9.404 1.00 0.00 C ATOM 774 O THR A 53 2.799 -6.213 8.907 1.00 0.00 O ATOM 775 CB THR A 53 1.715 -3.531 10.640 1.00 0.00 C ATOM 776 OG1 THR A 53 0.800 -4.606 10.835 1.00 0.00 O ATOM 777 CG2 THR A 53 0.818 -2.298 10.509 1.00 0.00 C ATOM 0 H THR A 53 0.699 -4.672 8.445 1.00 0.00 H new ATOM 0 HA THR A 53 3.148 -3.092 9.117 1.00 0.00 H new ATOM 0 HB THR A 53 2.456 -3.360 11.421 1.00 0.00 H new ATOM 0 HG1 THR A 53 0.298 -4.462 11.664 1.00 0.00 H new ATOM 0 HG21 THR A 53 0.338 -2.094 11.466 1.00 0.00 H new ATOM 0 HG22 THR A 53 1.421 -1.439 10.215 1.00 0.00 H new ATOM 0 HG23 THR A 53 0.055 -2.482 9.752 1.00 0.00 H new ATOM 785 N LYS A 54 4.399 -5.073 10.029 1.00 0.00 N ATOM 786 CA LYS A 54 5.273 -6.224 10.174 1.00 0.00 C ATOM 787 C LYS A 54 4.460 -7.416 10.684 1.00 0.00 C ATOM 788 O LYS A 54 4.471 -8.485 10.076 1.00 0.00 O ATOM 789 CB LYS A 54 6.474 -5.877 11.057 1.00 0.00 C ATOM 790 CG LYS A 54 7.256 -7.135 11.439 1.00 0.00 C ATOM 791 CD LYS A 54 8.723 -7.018 11.022 1.00 0.00 C ATOM 792 CE LYS A 54 8.872 -7.136 9.504 1.00 0.00 C ATOM 793 NZ LYS A 54 10.301 -7.110 9.120 1.00 0.00 N ATOM 0 H LYS A 54 4.757 -4.211 10.441 1.00 0.00 H new ATOM 0 HA LYS A 54 5.688 -6.510 9.208 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.129 -5.184 10.530 1.00 0.00 H new ATOM 0 HB3 LYS A 54 6.132 -5.369 11.959 1.00 0.00 H new ATOM 0 HG2 LYS A 54 7.192 -7.294 12.515 1.00 0.00 H new ATOM 0 HG3 LYS A 54 6.807 -8.006 10.961 1.00 0.00 H new ATOM 0 HD2 LYS A 54 9.125 -6.062 11.357 1.00 0.00 H new ATOM 0 HD3 LYS A 54 9.307 -7.798 11.510 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.413 -8.062 9.159 1.00 0.00 H new ATOM 0 HE3 LYS A 54 8.343 -6.317 9.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 10.384 -7.191 8.087 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.728 -6.215 9.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.796 -7.906 9.571 1.00 0.00 H new ATOM 807 N LYS A 55 3.774 -7.192 11.795 1.00 0.00 N ATOM 808 CA LYS A 55 2.957 -8.234 12.394 1.00 0.00 C ATOM 809 C LYS A 55 2.175 -8.956 11.295 1.00 0.00 C ATOM 810 O LYS A 55 2.405 -10.137 11.039 1.00 0.00 O ATOM 811 CB LYS A 55 2.072 -7.652 13.498 1.00 0.00 C ATOM 812 CG LYS A 55 2.380 -8.305 14.848 1.00 0.00 C ATOM 813 CD LYS A 55 1.476 -7.743 15.947 1.00 0.00 C ATOM 814 CE LYS A 55 2.247 -6.779 16.851 1.00 0.00 C ATOM 815 NZ LYS A 55 1.872 -6.985 18.268 1.00 0.00 N ATOM 0 H LYS A 55 3.767 -6.304 12.296 1.00 0.00 H new ATOM 0 HA LYS A 55 3.586 -8.979 12.881 1.00 0.00 H new ATOM 0 HB2 LYS A 55 2.230 -6.576 13.566 1.00 0.00 H new ATOM 0 HB3 LYS A 55 1.023 -7.805 13.247 1.00 0.00 H new ATOM 0 HG2 LYS A 55 2.242 -9.384 14.774 1.00 0.00 H new ATOM 0 HG3 LYS A 55 3.425 -8.135 15.109 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.629 -7.226 15.497 1.00 0.00 H new ATOM 0 HD3 LYS A 55 1.071 -8.561 16.543 1.00 0.00 H new ATOM 0 HE2 LYS A 55 3.319 -6.933 16.726 1.00 0.00 H new ATOM 0 HE3 LYS A 55 2.037 -5.750 16.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 2.404 -6.323 18.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.853 -6.816 18.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 2.095 -7.961 18.548 1.00 0.00 H new ATOM 829 N GLU A 56 1.266 -8.217 10.676 1.00 0.00 N ATOM 830 CA GLU A 56 0.449 -8.773 9.612 1.00 0.00 C ATOM 831 C GLU A 56 1.285 -9.702 8.730 1.00 0.00 C ATOM 832 O GLU A 56 1.064 -10.911 8.710 1.00 0.00 O ATOM 833 CB GLU A 56 -0.198 -7.663 8.780 1.00 0.00 C ATOM 834 CG GLU A 56 -1.718 -7.664 8.952 1.00 0.00 C ATOM 835 CD GLU A 56 -2.103 -7.628 10.432 1.00 0.00 C ATOM 836 OE1 GLU A 56 -1.260 -7.158 11.226 1.00 0.00 O ATOM 837 OE2 GLU A 56 -3.232 -8.071 10.736 1.00 0.00 O ATOM 0 H GLU A 56 1.078 -7.238 10.891 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.352 -9.357 10.064 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.205 -6.696 9.081 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.053 -7.799 7.728 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.146 -6.802 8.440 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.140 -8.554 8.485 1.00 0.00 H new ATOM 844 N VAL A 57 2.230 -9.100 8.021 1.00 0.00 N ATOM 845 CA VAL A 57 3.101 -9.859 7.139 1.00 0.00 C ATOM 846 C VAL A 57 3.605 -11.102 7.873 1.00 0.00 C ATOM 847 O VAL A 57 3.423 -12.223 7.401 1.00 0.00 O ATOM 848 CB VAL A 57 4.233 -8.966 6.627 1.00 0.00 C ATOM 849 CG1 VAL A 57 5.146 -9.733 5.669 1.00 0.00 C ATOM 850 CG2 VAL A 57 3.678 -7.704 5.963 1.00 0.00 C ATOM 0 H VAL A 57 2.411 -8.096 8.040 1.00 0.00 H new ATOM 0 HA VAL A 57 2.552 -10.201 6.261 1.00 0.00 H new ATOM 0 HB VAL A 57 4.831 -8.658 7.485 1.00 0.00 H new ATOM 0 HG11 VAL A 57 5.942 -9.075 5.320 1.00 0.00 H new ATOM 0 HG12 VAL A 57 5.582 -10.587 6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 57 4.565 -10.084 4.816 1.00 0.00 H new ATOM 0 HG21 VAL A 57 4.503 -7.087 5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 57 3.046 -7.984 5.120 1.00 0.00 H new ATOM 0 HG23 VAL A 57 3.089 -7.141 6.687 1.00 0.00 H new ATOM 860 N GLU A 58 4.230 -10.862 9.017 1.00 0.00 N ATOM 861 CA GLU A 58 4.762 -11.949 9.821 1.00 0.00 C ATOM 862 C GLU A 58 3.679 -12.999 10.078 1.00 0.00 C ATOM 863 O GLU A 58 3.986 -14.164 10.327 1.00 0.00 O ATOM 864 CB GLU A 58 5.341 -11.424 11.137 1.00 0.00 C ATOM 865 CG GLU A 58 6.825 -11.085 10.986 1.00 0.00 C ATOM 866 CD GLU A 58 7.531 -11.099 12.344 1.00 0.00 C ATOM 867 OE1 GLU A 58 7.139 -10.272 13.196 1.00 0.00 O ATOM 868 OE2 GLU A 58 8.447 -11.935 12.498 1.00 0.00 O ATOM 0 H GLU A 58 4.380 -9.931 9.406 1.00 0.00 H new ATOM 0 HA GLU A 58 5.574 -12.421 9.268 1.00 0.00 H new ATOM 0 HB2 GLU A 58 4.792 -10.537 11.452 1.00 0.00 H new ATOM 0 HB3 GLU A 58 5.213 -12.172 11.919 1.00 0.00 H new ATOM 0 HG2 GLU A 58 7.300 -11.803 10.318 1.00 0.00 H new ATOM 0 HG3 GLU A 58 6.932 -10.103 10.526 1.00 0.00 H new ATOM 875 N LYS A 59 2.435 -12.548 10.010 1.00 0.00 N ATOM 876 CA LYS A 59 1.305 -13.434 10.232 1.00 0.00 C ATOM 877 C LYS A 59 1.058 -14.265 8.971 1.00 0.00 C ATOM 878 O LYS A 59 0.752 -15.453 9.057 1.00 0.00 O ATOM 879 CB LYS A 59 0.082 -12.638 10.693 1.00 0.00 C ATOM 880 CG LYS A 59 -1.048 -12.726 9.666 1.00 0.00 C ATOM 881 CD LYS A 59 -2.340 -12.123 10.220 1.00 0.00 C ATOM 882 CE LYS A 59 -2.702 -10.832 9.483 1.00 0.00 C ATOM 883 NZ LYS A 59 -4.172 -10.673 9.406 1.00 0.00 N ATOM 0 H LYS A 59 2.185 -11.581 9.804 1.00 0.00 H new ATOM 0 HA LYS A 59 1.523 -14.134 11.038 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.264 -13.020 11.653 1.00 0.00 H new ATOM 0 HB3 LYS A 59 0.359 -11.595 10.846 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -0.759 -12.201 8.756 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -1.216 -13.768 9.393 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.153 -12.842 10.122 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.223 -11.918 11.284 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.264 -9.977 9.999 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.279 -10.849 8.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.484 -10.806 8.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.630 -11.382 10.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.435 -9.720 9.727 1.00 0.00 H new ATOM 897 N MET A 60 1.201 -13.607 7.830 1.00 0.00 N ATOM 898 CA MET A 60 0.998 -14.271 6.553 1.00 0.00 C ATOM 899 C MET A 60 -0.406 -14.874 6.467 1.00 0.00 C ATOM 900 O MET A 60 -0.559 -16.059 6.177 1.00 0.00 O ATOM 901 CB MET A 60 2.041 -15.377 6.380 1.00 0.00 C ATOM 902 CG MET A 60 3.274 -14.856 5.640 1.00 0.00 C ATOM 903 SD MET A 60 3.061 -15.060 3.880 1.00 0.00 S ATOM 904 CE MET A 60 2.395 -13.458 3.460 1.00 0.00 C ATOM 0 H MET A 60 1.455 -12.621 7.763 1.00 0.00 H new ATOM 0 HA MET A 60 1.106 -13.532 5.759 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.334 -15.761 7.357 1.00 0.00 H new ATOM 0 HB3 MET A 60 1.605 -16.209 5.827 1.00 0.00 H new ATOM 0 HG2 MET A 60 3.432 -13.804 5.876 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.162 -15.394 5.972 1.00 0.00 H new ATOM 0 HE1 MET A 60 2.515 -13.283 2.391 1.00 0.00 H new ATOM 0 HE2 MET A 60 1.336 -13.426 3.716 1.00 0.00 H new ATOM 0 HE3 MET A 60 2.926 -12.686 4.016 1.00 0.00 H new ATOM 914 N ASN A 61 -1.395 -14.030 6.723 1.00 0.00 N ATOM 915 CA ASN A 61 -2.780 -14.465 6.677 1.00 0.00 C ATOM 916 C ASN A 61 -3.298 -14.356 5.241 1.00 0.00 C ATOM 917 O ASN A 61 -2.596 -13.860 4.361 1.00 0.00 O ATOM 918 CB ASN A 61 -3.663 -13.587 7.565 1.00 0.00 C ATOM 919 CG ASN A 61 -4.293 -14.406 8.694 1.00 0.00 C ATOM 920 OD1 ASN A 61 -3.655 -15.228 9.330 1.00 0.00 O ATOM 921 ND2 ASN A 61 -5.578 -14.137 8.905 1.00 0.00 N ATOM 0 H ASN A 61 -1.264 -13.047 6.963 1.00 0.00 H new ATOM 0 HA ASN A 61 -2.821 -15.495 7.032 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -3.069 -12.777 7.987 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -4.447 -13.127 6.963 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.089 -14.631 9.636 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.052 -13.436 8.336 1.00 0.00 H new ATOM 928 N LYS A 62 -4.521 -14.827 5.049 1.00 0.00 N ATOM 929 CA LYS A 62 -5.140 -14.789 3.735 1.00 0.00 C ATOM 930 C LYS A 62 -4.964 -13.393 3.134 1.00 0.00 C ATOM 931 O LYS A 62 -4.425 -13.249 2.038 1.00 0.00 O ATOM 932 CB LYS A 62 -6.599 -15.243 3.817 1.00 0.00 C ATOM 933 CG LYS A 62 -7.434 -14.609 2.703 1.00 0.00 C ATOM 934 CD LYS A 62 -7.017 -15.144 1.332 1.00 0.00 C ATOM 935 CE LYS A 62 -8.091 -16.069 0.755 1.00 0.00 C ATOM 936 NZ LYS A 62 -7.943 -17.437 1.301 1.00 0.00 N ATOM 0 H LYS A 62 -5.100 -15.237 5.782 1.00 0.00 H new ATOM 0 HA LYS A 62 -4.649 -15.491 3.062 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -6.650 -16.329 3.742 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -7.014 -14.971 4.787 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -8.490 -14.817 2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -7.315 -13.526 2.726 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -6.844 -14.312 0.650 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -6.075 -15.685 1.420 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -9.081 -15.681 0.994 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -8.012 -16.094 -0.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -8.679 -18.052 0.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -7.005 -17.811 1.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -8.041 -17.410 2.336 1.00 0.00 H new ATOM 950 N LYS A 63 -5.429 -12.400 3.878 1.00 0.00 N ATOM 951 CA LYS A 63 -5.329 -11.021 3.432 1.00 0.00 C ATOM 952 C LYS A 63 -3.923 -10.766 2.885 1.00 0.00 C ATOM 953 O LYS A 63 -3.764 -10.132 1.843 1.00 0.00 O ATOM 954 CB LYS A 63 -5.735 -10.064 4.554 1.00 0.00 C ATOM 955 CG LYS A 63 -7.116 -10.422 5.108 1.00 0.00 C ATOM 956 CD LYS A 63 -6.995 -11.258 6.383 1.00 0.00 C ATOM 957 CE LYS A 63 -7.961 -10.760 7.460 1.00 0.00 C ATOM 958 NZ LYS A 63 -8.756 -11.883 8.003 1.00 0.00 N ATOM 0 H LYS A 63 -5.876 -12.523 4.787 1.00 0.00 H new ATOM 0 HA LYS A 63 -6.027 -10.834 2.616 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -4.997 -10.103 5.355 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -5.744 -9.041 4.178 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -7.675 -9.510 5.318 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -7.680 -10.976 4.358 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -7.204 -12.304 6.157 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -5.972 -11.211 6.757 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -7.403 -10.280 8.264 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -8.626 -10.006 7.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -9.406 -11.527 8.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -9.303 -12.323 7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -8.118 -12.589 8.423 1.00 0.00 H new ATOM 972 N MET A 64 -2.939 -11.274 3.612 1.00 0.00 N ATOM 973 CA MET A 64 -1.552 -11.110 3.213 1.00 0.00 C ATOM 974 C MET A 64 -1.201 -12.041 2.051 1.00 0.00 C ATOM 975 O MET A 64 -0.261 -11.779 1.303 1.00 0.00 O ATOM 976 CB MET A 64 -0.639 -11.412 4.403 1.00 0.00 C ATOM 977 CG MET A 64 0.789 -10.933 4.134 1.00 0.00 C ATOM 978 SD MET A 64 0.809 -9.160 3.927 1.00 0.00 S ATOM 979 CE MET A 64 0.129 -8.657 5.499 1.00 0.00 C ATOM 0 H MET A 64 -3.075 -11.800 4.475 1.00 0.00 H new ATOM 0 HA MET A 64 -1.408 -10.081 2.885 1.00 0.00 H new ATOM 0 HB2 MET A 64 -1.028 -10.924 5.297 1.00 0.00 H new ATOM 0 HB3 MET A 64 -0.636 -12.484 4.601 1.00 0.00 H new ATOM 0 HG2 MET A 64 1.439 -11.218 4.961 1.00 0.00 H new ATOM 0 HG3 MET A 64 1.181 -11.416 3.239 1.00 0.00 H new ATOM 0 HE1 MET A 64 -0.923 -8.402 5.375 1.00 0.00 H new ATOM 0 HE2 MET A 64 0.222 -9.474 6.214 1.00 0.00 H new ATOM 0 HE3 MET A 64 0.672 -7.787 5.869 1.00 0.00 H new ATOM 989 N GLU A 65 -1.977 -13.110 1.937 1.00 0.00 N ATOM 990 CA GLU A 65 -1.760 -14.081 0.878 1.00 0.00 C ATOM 991 C GLU A 65 -2.109 -13.472 -0.481 1.00 0.00 C ATOM 992 O GLU A 65 -1.383 -13.663 -1.455 1.00 0.00 O ATOM 993 CB GLU A 65 -2.567 -15.356 1.131 1.00 0.00 C ATOM 994 CG GLU A 65 -3.792 -15.420 0.217 1.00 0.00 C ATOM 995 CD GLU A 65 -4.376 -16.834 0.181 1.00 0.00 C ATOM 996 OE1 GLU A 65 -4.211 -17.542 1.198 1.00 0.00 O ATOM 997 OE2 GLU A 65 -4.975 -17.175 -0.862 1.00 0.00 O ATOM 0 H GLU A 65 -2.756 -13.324 2.560 1.00 0.00 H new ATOM 0 HA GLU A 65 -0.704 -14.353 0.871 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.937 -16.229 0.962 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -2.884 -15.389 2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -4.549 -14.719 0.568 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.515 -15.111 -0.791 1.00 0.00 H new ATOM 1004 N GLU A 66 -3.221 -12.751 -0.503 1.00 0.00 N ATOM 1005 CA GLU A 66 -3.674 -12.113 -1.727 1.00 0.00 C ATOM 1006 C GLU A 66 -2.615 -11.136 -2.241 1.00 0.00 C ATOM 1007 O GLU A 66 -2.510 -10.905 -3.444 1.00 0.00 O ATOM 1008 CB GLU A 66 -5.014 -11.406 -1.512 1.00 0.00 C ATOM 1009 CG GLU A 66 -6.063 -12.374 -0.963 1.00 0.00 C ATOM 1010 CD GLU A 66 -6.838 -13.046 -2.098 1.00 0.00 C ATOM 1011 OE1 GLU A 66 -7.339 -12.296 -2.964 1.00 0.00 O ATOM 1012 OE2 GLU A 66 -6.912 -14.293 -2.075 1.00 0.00 O ATOM 0 H GLU A 66 -3.821 -12.595 0.307 1.00 0.00 H new ATOM 0 HA GLU A 66 -3.824 -12.885 -2.482 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -4.883 -10.575 -0.819 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -5.362 -10.984 -2.455 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -5.577 -13.133 -0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.755 -11.836 -0.314 1.00 0.00 H new ATOM 1019 N VAL A 67 -1.856 -10.589 -1.302 1.00 0.00 N ATOM 1020 CA VAL A 67 -0.808 -9.643 -1.645 1.00 0.00 C ATOM 1021 C VAL A 67 0.448 -10.409 -2.065 1.00 0.00 C ATOM 1022 O VAL A 67 1.187 -9.963 -2.941 1.00 0.00 O ATOM 1023 CB VAL A 67 -0.563 -8.687 -0.475 1.00 0.00 C ATOM 1024 CG1 VAL A 67 0.517 -7.660 -0.823 1.00 0.00 C ATOM 1025 CG2 VAL A 67 -1.860 -7.997 -0.050 1.00 0.00 C ATOM 0 H VAL A 67 -1.946 -10.783 -0.305 1.00 0.00 H new ATOM 0 HA VAL A 67 -1.111 -9.028 -2.492 1.00 0.00 H new ATOM 0 HB VAL A 67 -0.205 -9.276 0.370 1.00 0.00 H new ATOM 0 HG11 VAL A 67 0.672 -6.993 0.025 1.00 0.00 H new ATOM 0 HG12 VAL A 67 1.449 -8.176 -1.054 1.00 0.00 H new ATOM 0 HG13 VAL A 67 0.201 -7.078 -1.689 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.658 -7.323 0.783 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -2.261 -7.427 -0.888 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.587 -8.748 0.259 1.00 0.00 H new ATOM 1035 N LYS A 68 0.651 -11.548 -1.420 1.00 0.00 N ATOM 1036 CA LYS A 68 1.804 -12.380 -1.716 1.00 0.00 C ATOM 1037 C LYS A 68 1.623 -13.026 -3.091 1.00 0.00 C ATOM 1038 O LYS A 68 2.544 -13.029 -3.906 1.00 0.00 O ATOM 1039 CB LYS A 68 2.041 -13.388 -0.590 1.00 0.00 C ATOM 1040 CG LYS A 68 3.283 -14.238 -0.866 1.00 0.00 C ATOM 1041 CD LYS A 68 3.908 -14.736 0.439 1.00 0.00 C ATOM 1042 CE LYS A 68 5.288 -15.347 0.188 1.00 0.00 C ATOM 1043 NZ LYS A 68 5.177 -16.536 -0.686 1.00 0.00 N ATOM 0 H LYS A 68 0.036 -11.914 -0.693 1.00 0.00 H new ATOM 0 HA LYS A 68 2.708 -11.773 -1.765 1.00 0.00 H new ATOM 0 HB2 LYS A 68 2.160 -12.860 0.356 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.169 -14.034 -0.487 1.00 0.00 H new ATOM 0 HG2 LYS A 68 3.014 -15.089 -1.492 1.00 0.00 H new ATOM 0 HG3 LYS A 68 4.014 -13.651 -1.422 1.00 0.00 H new ATOM 0 HD2 LYS A 68 3.995 -13.909 1.143 1.00 0.00 H new ATOM 0 HD3 LYS A 68 3.256 -15.479 0.899 1.00 0.00 H new ATOM 0 HE2 LYS A 68 5.941 -14.607 -0.275 1.00 0.00 H new ATOM 0 HE3 LYS A 68 5.746 -15.627 1.137 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 6.106 -16.997 -0.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 4.492 -17.204 -0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 4.855 -16.244 -1.631 1.00 0.00 H new ATOM 1057 N GLU A 69 0.429 -13.558 -3.307 1.00 0.00 N ATOM 1058 CA GLU A 69 0.115 -14.205 -4.569 1.00 0.00 C ATOM 1059 C GLU A 69 0.340 -13.238 -5.733 1.00 0.00 C ATOM 1060 O GLU A 69 0.895 -13.618 -6.763 1.00 0.00 O ATOM 1061 CB GLU A 69 -1.319 -14.739 -4.570 1.00 0.00 C ATOM 1062 CG GLU A 69 -2.330 -13.594 -4.492 1.00 0.00 C ATOM 1063 CD GLU A 69 -3.765 -14.125 -4.538 1.00 0.00 C ATOM 1064 OE1 GLU A 69 -4.001 -15.176 -3.905 1.00 0.00 O ATOM 1065 OE2 GLU A 69 -4.592 -13.467 -5.205 1.00 0.00 O ATOM 0 H GLU A 69 -0.333 -13.554 -2.629 1.00 0.00 H new ATOM 0 HA GLU A 69 0.785 -15.056 -4.694 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.493 -15.322 -5.474 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.461 -15.412 -3.725 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.176 -13.031 -3.572 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.167 -12.903 -5.320 1.00 0.00 H new ATOM 1072 N ALA A 70 -0.101 -12.005 -5.529 1.00 0.00 N ATOM 1073 CA ALA A 70 0.046 -10.980 -6.548 1.00 0.00 C ATOM 1074 C ALA A 70 1.415 -10.312 -6.401 1.00 0.00 C ATOM 1075 O ALA A 70 1.704 -9.325 -7.075 1.00 0.00 O ATOM 1076 CB ALA A 70 -1.106 -9.979 -6.435 1.00 0.00 C ATOM 0 H ALA A 70 -0.560 -11.693 -4.673 1.00 0.00 H new ATOM 0 HA ALA A 70 -0.000 -11.420 -7.544 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.996 -9.210 -7.199 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -2.054 -10.498 -6.576 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -1.090 -9.515 -5.449 1.00 0.00 H new ATOM 1082 N ASN A 71 2.221 -10.878 -5.514 1.00 0.00 N ATOM 1083 CA ASN A 71 3.552 -10.350 -5.270 1.00 0.00 C ATOM 1084 C ASN A 71 3.479 -8.825 -5.158 1.00 0.00 C ATOM 1085 O ASN A 71 4.201 -8.113 -5.855 1.00 0.00 O ATOM 1086 CB ASN A 71 4.501 -10.695 -6.419 1.00 0.00 C ATOM 1087 CG ASN A 71 5.940 -10.838 -5.918 1.00 0.00 C ATOM 1088 OD1 ASN A 71 6.222 -11.524 -4.950 1.00 0.00 O ATOM 1089 ND2 ASN A 71 6.831 -10.153 -6.629 1.00 0.00 N ATOM 0 H ASN A 71 1.978 -11.696 -4.956 1.00 0.00 H new ATOM 0 HA ASN A 71 3.927 -10.794 -4.348 1.00 0.00 H new ATOM 0 HB2 ASN A 71 4.183 -11.624 -6.892 1.00 0.00 H new ATOM 0 HB3 ASN A 71 4.453 -9.917 -7.181 1.00 0.00 H new ATOM 0 HD21 ASN A 71 7.818 -10.183 -6.374 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.527 -9.598 -7.429 1.00 0.00 H new ATOM 1096 N ILE A 72 2.601 -8.370 -4.277 1.00 0.00 N ATOM 1097 CA ILE A 72 2.424 -6.943 -4.065 1.00 0.00 C ATOM 1098 C ILE A 72 3.275 -6.500 -2.873 1.00 0.00 C ATOM 1099 O ILE A 72 3.068 -6.962 -1.752 1.00 0.00 O ATOM 1100 CB ILE A 72 0.940 -6.603 -3.922 1.00 0.00 C ATOM 1101 CG1 ILE A 72 0.200 -6.808 -5.246 1.00 0.00 C ATOM 1102 CG2 ILE A 72 0.752 -5.186 -3.375 1.00 0.00 C ATOM 1103 CD1 ILE A 72 -1.308 -6.627 -5.065 1.00 0.00 C ATOM 0 H ILE A 72 2.004 -8.964 -3.701 1.00 0.00 H new ATOM 0 HA ILE A 72 2.773 -6.382 -4.932 1.00 0.00 H new ATOM 0 HB ILE A 72 0.501 -7.289 -3.198 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.569 -6.098 -5.986 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.406 -7.807 -5.631 1.00 0.00 H new ATOM 0 HG21 ILE A 72 -0.312 -4.970 -3.283 1.00 0.00 H new ATOM 0 HG22 ILE A 72 1.224 -5.108 -2.396 1.00 0.00 H new ATOM 0 HG23 ILE A 72 1.210 -4.469 -4.056 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -1.810 -6.778 -6.021 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -1.678 -7.354 -4.342 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -1.513 -5.619 -4.703 1.00 0.00 H new ATOM 1115 N ARG A 73 4.214 -5.608 -3.156 1.00 0.00 N ATOM 1116 CA ARG A 73 5.096 -5.097 -2.121 1.00 0.00 C ATOM 1117 C ARG A 73 4.279 -4.553 -0.948 1.00 0.00 C ATOM 1118 O ARG A 73 3.381 -3.735 -1.138 1.00 0.00 O ATOM 1119 CB ARG A 73 5.997 -3.986 -2.665 1.00 0.00 C ATOM 1120 CG ARG A 73 5.211 -2.687 -2.855 1.00 0.00 C ATOM 1121 CD ARG A 73 6.036 -1.656 -3.628 1.00 0.00 C ATOM 1122 NE ARG A 73 5.325 -1.265 -4.866 1.00 0.00 N ATOM 1123 CZ ARG A 73 5.413 -1.933 -6.025 1.00 0.00 C ATOM 1124 NH1 ARG A 73 6.181 -3.027 -6.111 1.00 0.00 N ATOM 1125 NH2 ARG A 73 4.732 -1.505 -7.097 1.00 0.00 N ATOM 0 H ARG A 73 4.383 -5.227 -4.087 1.00 0.00 H new ATOM 0 HA ARG A 73 5.721 -5.923 -1.781 1.00 0.00 H new ATOM 0 HB2 ARG A 73 6.826 -3.816 -1.978 1.00 0.00 H new ATOM 0 HB3 ARG A 73 6.429 -4.296 -3.616 1.00 0.00 H new ATOM 0 HG2 ARG A 73 4.285 -2.893 -3.391 1.00 0.00 H new ATOM 0 HG3 ARG A 73 4.933 -2.280 -1.883 1.00 0.00 H new ATOM 0 HD2 ARG A 73 6.211 -0.778 -3.006 1.00 0.00 H new ATOM 0 HD3 ARG A 73 7.013 -2.071 -3.875 1.00 0.00 H new ATOM 0 HE ARG A 73 4.731 -0.436 -4.835 1.00 0.00 H new ATOM 0 HH11 ARG A 73 6.699 -3.352 -5.295 1.00 0.00 H new ATOM 0 HH12 ARG A 73 6.248 -3.535 -6.993 1.00 0.00 H new ATOM 0 HH21 ARG A 73 4.147 -0.672 -7.031 1.00 0.00 H new ATOM 0 HH22 ARG A 73 4.798 -2.012 -7.979 1.00 0.00 H new ATOM 1139 N VAL A 74 4.619 -5.031 0.241 1.00 0.00 N ATOM 1140 CA VAL A 74 3.928 -4.603 1.445 1.00 0.00 C ATOM 1141 C VAL A 74 4.799 -3.594 2.197 1.00 0.00 C ATOM 1142 O VAL A 74 5.879 -3.937 2.676 1.00 0.00 O ATOM 1143 CB VAL A 74 3.554 -5.819 2.294 1.00 0.00 C ATOM 1144 CG1 VAL A 74 2.562 -5.436 3.394 1.00 0.00 C ATOM 1145 CG2 VAL A 74 2.997 -6.946 1.422 1.00 0.00 C ATOM 0 H VAL A 74 5.364 -5.710 0.395 1.00 0.00 H new ATOM 0 HA VAL A 74 2.994 -4.101 1.191 1.00 0.00 H new ATOM 0 HB VAL A 74 4.462 -6.184 2.774 1.00 0.00 H new ATOM 0 HG11 VAL A 74 2.313 -6.319 3.983 1.00 0.00 H new ATOM 0 HG12 VAL A 74 3.010 -4.682 4.042 1.00 0.00 H new ATOM 0 HG13 VAL A 74 1.655 -5.033 2.942 1.00 0.00 H new ATOM 0 HG21 VAL A 74 2.739 -7.799 2.050 1.00 0.00 H new ATOM 0 HG22 VAL A 74 2.106 -6.596 0.901 1.00 0.00 H new ATOM 0 HG23 VAL A 74 3.749 -7.247 0.693 1.00 0.00 H new ATOM 1155 N VAL A 75 4.297 -2.371 2.276 1.00 0.00 N ATOM 1156 CA VAL A 75 5.016 -1.310 2.962 1.00 0.00 C ATOM 1157 C VAL A 75 4.220 -0.872 4.192 1.00 0.00 C ATOM 1158 O VAL A 75 3.093 -1.321 4.399 1.00 0.00 O ATOM 1159 CB VAL A 75 5.301 -0.160 1.993 1.00 0.00 C ATOM 1160 CG1 VAL A 75 6.084 -0.651 0.774 1.00 0.00 C ATOM 1161 CG2 VAL A 75 4.004 0.533 1.569 1.00 0.00 C ATOM 0 H VAL A 75 3.401 -2.090 1.877 1.00 0.00 H new ATOM 0 HA VAL A 75 5.983 -1.669 3.313 1.00 0.00 H new ATOM 0 HB VAL A 75 5.918 0.572 2.514 1.00 0.00 H new ATOM 0 HG11 VAL A 75 6.273 0.186 0.102 1.00 0.00 H new ATOM 0 HG12 VAL A 75 7.033 -1.077 1.099 1.00 0.00 H new ATOM 0 HG13 VAL A 75 5.504 -1.412 0.252 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.234 1.346 0.881 1.00 0.00 H new ATOM 0 HG22 VAL A 75 3.352 -0.187 1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.501 0.934 2.449 1.00 0.00 H new ATOM 1171 N SER A 76 4.836 -0.001 4.977 1.00 0.00 N ATOM 1172 CA SER A 76 4.199 0.503 6.182 1.00 0.00 C ATOM 1173 C SER A 76 3.484 1.822 5.883 1.00 0.00 C ATOM 1174 O SER A 76 3.553 2.331 4.766 1.00 0.00 O ATOM 1175 CB SER A 76 5.219 0.694 7.306 1.00 0.00 C ATOM 1176 OG SER A 76 4.625 0.558 8.594 1.00 0.00 O ATOM 0 H SER A 76 5.770 0.369 4.802 1.00 0.00 H new ATOM 0 HA SER A 76 3.467 -0.232 6.515 1.00 0.00 H new ATOM 0 HB2 SER A 76 6.020 -0.037 7.197 1.00 0.00 H new ATOM 0 HB3 SER A 76 5.674 1.681 7.219 1.00 0.00 H new ATOM 0 HG SER A 76 5.309 0.685 9.285 1.00 0.00 H new ATOM 1182 N GLU A 77 2.813 2.339 6.903 1.00 0.00 N ATOM 1183 CA GLU A 77 2.087 3.589 6.763 1.00 0.00 C ATOM 1184 C GLU A 77 3.061 4.769 6.733 1.00 0.00 C ATOM 1185 O GLU A 77 2.663 5.900 6.458 1.00 0.00 O ATOM 1186 CB GLU A 77 1.060 3.755 7.885 1.00 0.00 C ATOM 1187 CG GLU A 77 -0.310 4.139 7.323 1.00 0.00 C ATOM 1188 CD GLU A 77 -0.797 5.461 7.921 1.00 0.00 C ATOM 1189 OE1 GLU A 77 -0.459 5.709 9.099 1.00 0.00 O ATOM 1190 OE2 GLU A 77 -1.495 6.193 7.187 1.00 0.00 O ATOM 0 H GLU A 77 2.757 1.915 7.829 1.00 0.00 H new ATOM 0 HA GLU A 77 1.544 3.567 5.818 1.00 0.00 H new ATOM 0 HB2 GLU A 77 0.978 2.825 8.448 1.00 0.00 H new ATOM 0 HB3 GLU A 77 1.399 4.521 8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -0.251 4.226 6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.030 3.350 7.540 1.00 0.00 H new ATOM 1197 N ASP A 78 4.318 4.464 7.020 1.00 0.00 N ATOM 1198 CA ASP A 78 5.352 5.485 7.029 1.00 0.00 C ATOM 1199 C ASP A 78 5.742 5.823 5.588 1.00 0.00 C ATOM 1200 O ASP A 78 6.470 6.784 5.348 1.00 0.00 O ATOM 1201 CB ASP A 78 6.605 4.994 7.755 1.00 0.00 C ATOM 1202 CG ASP A 78 6.352 4.365 9.127 1.00 0.00 C ATOM 1203 OD1 ASP A 78 5.633 5.007 9.922 1.00 0.00 O ATOM 1204 OD2 ASP A 78 6.883 3.255 9.349 1.00 0.00 O ATOM 0 H ASP A 78 4.644 3.525 7.248 1.00 0.00 H new ATOM 0 HA ASP A 78 4.957 6.360 7.544 1.00 0.00 H new ATOM 0 HB2 ASP A 78 7.109 4.262 7.124 1.00 0.00 H new ATOM 0 HB3 ASP A 78 7.289 5.834 7.878 1.00 0.00 H new ATOM 1209 N PHE A 79 5.240 5.012 4.668 1.00 0.00 N ATOM 1210 CA PHE A 79 5.527 5.213 3.258 1.00 0.00 C ATOM 1211 C PHE A 79 4.738 6.400 2.701 1.00 0.00 C ATOM 1212 O PHE A 79 5.229 7.126 1.837 1.00 0.00 O ATOM 1213 CB PHE A 79 5.094 3.940 2.528 1.00 0.00 C ATOM 1214 CG PHE A 79 4.719 4.161 1.061 1.00 0.00 C ATOM 1215 CD1 PHE A 79 5.694 4.328 0.128 1.00 0.00 C ATOM 1216 CD2 PHE A 79 3.411 4.190 0.690 1.00 0.00 C ATOM 1217 CE1 PHE A 79 5.347 4.533 -1.234 1.00 0.00 C ATOM 1218 CE2 PHE A 79 3.063 4.395 -0.672 1.00 0.00 C ATOM 1219 CZ PHE A 79 4.038 4.562 -1.605 1.00 0.00 C ATOM 0 H PHE A 79 4.637 4.215 4.872 1.00 0.00 H new ATOM 0 HA PHE A 79 6.588 5.420 3.120 1.00 0.00 H new ATOM 0 HB2 PHE A 79 5.903 3.211 2.580 1.00 0.00 H new ATOM 0 HB3 PHE A 79 4.240 3.507 3.049 1.00 0.00 H new ATOM 0 HD1 PHE A 79 6.733 4.305 0.423 1.00 0.00 H new ATOM 0 HD2 PHE A 79 2.637 4.057 1.431 1.00 0.00 H new ATOM 0 HE1 PHE A 79 6.122 4.666 -1.975 1.00 0.00 H new ATOM 0 HE2 PHE A 79 2.024 4.418 -0.966 1.00 0.00 H new ATOM 0 HZ PHE A 79 3.774 4.718 -2.640 1.00 0.00 H new ATOM 1229 N LEU A 80 3.529 6.560 3.218 1.00 0.00 N ATOM 1230 CA LEU A 80 2.668 7.647 2.783 1.00 0.00 C ATOM 1231 C LEU A 80 3.275 8.981 3.221 1.00 0.00 C ATOM 1232 O LEU A 80 3.464 9.880 2.403 1.00 0.00 O ATOM 1233 CB LEU A 80 1.238 7.429 3.282 1.00 0.00 C ATOM 1234 CG LEU A 80 0.415 6.384 2.525 1.00 0.00 C ATOM 1235 CD1 LEU A 80 -0.712 5.834 3.401 1.00 0.00 C ATOM 1236 CD2 LEU A 80 -0.110 6.950 1.204 1.00 0.00 C ATOM 0 H LEU A 80 3.125 5.956 3.934 1.00 0.00 H new ATOM 0 HA LEU A 80 2.603 7.669 1.695 1.00 0.00 H new ATOM 0 HB2 LEU A 80 1.281 7.138 4.332 1.00 0.00 H new ATOM 0 HB3 LEU A 80 0.709 8.381 3.237 1.00 0.00 H new ATOM 0 HG LEU A 80 1.069 5.548 2.279 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -1.281 5.094 2.839 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -0.287 5.367 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -1.372 6.649 3.699 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -0.691 6.187 0.687 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -0.743 7.814 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.730 7.253 0.579 1.00 0.00 H new ATOM 1248 N GLN A 81 3.565 9.067 4.511 1.00 0.00 N ATOM 1249 CA GLN A 81 4.148 10.276 5.068 1.00 0.00 C ATOM 1250 C GLN A 81 5.493 10.572 4.402 1.00 0.00 C ATOM 1251 O GLN A 81 5.994 11.693 4.478 1.00 0.00 O ATOM 1252 CB GLN A 81 4.301 10.162 6.586 1.00 0.00 C ATOM 1253 CG GLN A 81 5.633 9.505 6.955 1.00 0.00 C ATOM 1254 CD GLN A 81 5.654 9.098 8.430 1.00 0.00 C ATOM 1255 OE1 GLN A 81 4.839 8.320 8.897 1.00 0.00 O ATOM 1256 NE2 GLN A 81 6.629 9.666 9.134 1.00 0.00 N ATOM 0 H GLN A 81 3.407 8.319 5.186 1.00 0.00 H new ATOM 0 HA GLN A 81 3.473 11.108 4.865 1.00 0.00 H new ATOM 0 HB2 GLN A 81 4.243 11.153 7.036 1.00 0.00 H new ATOM 0 HB3 GLN A 81 3.477 9.577 6.995 1.00 0.00 H new ATOM 0 HG2 GLN A 81 5.795 8.627 6.330 1.00 0.00 H new ATOM 0 HG3 GLN A 81 6.452 10.196 6.753 1.00 0.00 H new ATOM 0 HE21 GLN A 81 7.278 10.309 8.680 1.00 0.00 H new ATOM 0 HE22 GLN A 81 6.728 9.459 10.128 1.00 0.00 H new ATOM 1265 N ASP A 82 6.040 9.548 3.764 1.00 0.00 N ATOM 1266 CA ASP A 82 7.318 9.684 3.085 1.00 0.00 C ATOM 1267 C ASP A 82 7.075 10.053 1.620 1.00 0.00 C ATOM 1268 O ASP A 82 7.750 10.926 1.076 1.00 0.00 O ATOM 1269 CB ASP A 82 8.102 8.372 3.118 1.00 0.00 C ATOM 1270 CG ASP A 82 9.121 8.256 4.254 1.00 0.00 C ATOM 1271 OD1 ASP A 82 8.690 7.894 5.369 1.00 0.00 O ATOM 1272 OD2 ASP A 82 10.309 8.532 3.980 1.00 0.00 O ATOM 0 H ASP A 82 5.621 8.620 3.703 1.00 0.00 H new ATOM 0 HA ASP A 82 7.890 10.458 3.596 1.00 0.00 H new ATOM 0 HB2 ASP A 82 7.395 7.546 3.198 1.00 0.00 H new ATOM 0 HB3 ASP A 82 8.624 8.254 2.168 1.00 0.00 H new ATOM 1277 N VAL A 83 6.109 9.370 1.024 1.00 0.00 N ATOM 1278 CA VAL A 83 5.769 9.615 -0.368 1.00 0.00 C ATOM 1279 C VAL A 83 5.244 11.045 -0.516 1.00 0.00 C ATOM 1280 O VAL A 83 5.165 11.568 -1.626 1.00 0.00 O ATOM 1281 CB VAL A 83 4.774 8.560 -0.857 1.00 0.00 C ATOM 1282 CG1 VAL A 83 3.332 9.016 -0.625 1.00 0.00 C ATOM 1283 CG2 VAL A 83 5.013 8.223 -2.330 1.00 0.00 C ATOM 0 H VAL A 83 5.551 8.647 1.479 1.00 0.00 H new ATOM 0 HA VAL A 83 6.654 9.526 -0.999 1.00 0.00 H new ATOM 0 HB VAL A 83 4.935 7.652 -0.275 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.646 8.248 -0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 83 3.170 9.182 0.440 1.00 0.00 H new ATOM 0 HG13 VAL A 83 3.152 9.944 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 83 4.293 7.471 -2.653 1.00 0.00 H new ATOM 0 HG22 VAL A 83 4.893 9.123 -2.933 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.024 7.835 -2.455 1.00 0.00 H new ATOM 1293 N SER A 84 4.900 11.635 0.619 1.00 0.00 N ATOM 1294 CA SER A 84 4.386 12.994 0.629 1.00 0.00 C ATOM 1295 C SER A 84 5.407 13.936 1.271 1.00 0.00 C ATOM 1296 O SER A 84 5.218 15.151 1.278 1.00 0.00 O ATOM 1297 CB SER A 84 3.051 13.072 1.373 1.00 0.00 C ATOM 1298 OG SER A 84 2.023 13.639 0.567 1.00 0.00 O ATOM 0 H SER A 84 4.967 11.197 1.538 1.00 0.00 H new ATOM 0 HA SER A 84 4.216 13.302 -0.402 1.00 0.00 H new ATOM 0 HB2 SER A 84 2.754 12.072 1.690 1.00 0.00 H new ATOM 0 HB3 SER A 84 3.174 13.669 2.277 1.00 0.00 H new ATOM 0 HG SER A 84 2.199 14.594 0.436 1.00 0.00 H new ATOM 1304 N ALA A 85 6.468 13.338 1.794 1.00 0.00 N ATOM 1305 CA ALA A 85 7.519 14.108 2.436 1.00 0.00 C ATOM 1306 C ALA A 85 8.881 13.541 2.030 1.00 0.00 C ATOM 1307 O ALA A 85 9.809 13.508 2.837 1.00 0.00 O ATOM 1308 CB ALA A 85 7.310 14.094 3.951 1.00 0.00 C ATOM 0 H ALA A 85 6.622 12.330 1.786 1.00 0.00 H new ATOM 0 HA ALA A 85 7.485 15.148 2.112 1.00 0.00 H new ATOM 0 HB1 ALA A 85 8.099 14.672 4.432 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.341 14.534 4.189 1.00 0.00 H new ATOM 0 HB3 ALA A 85 7.341 13.066 4.313 1.00 0.00 H new ATOM 1314 N SER A 86 8.958 13.110 0.780 1.00 0.00 N ATOM 1315 CA SER A 86 10.191 12.546 0.257 1.00 0.00 C ATOM 1316 C SER A 86 10.273 12.777 -1.253 1.00 0.00 C ATOM 1317 O SER A 86 9.271 12.664 -1.957 1.00 0.00 O ATOM 1318 CB SER A 86 10.290 11.051 0.571 1.00 0.00 C ATOM 1319 OG SER A 86 11.630 10.576 0.487 1.00 0.00 O ATOM 0 H SER A 86 8.186 13.140 0.114 1.00 0.00 H new ATOM 0 HA SER A 86 11.029 13.048 0.741 1.00 0.00 H new ATOM 0 HB2 SER A 86 9.901 10.864 1.572 1.00 0.00 H new ATOM 0 HB3 SER A 86 9.663 10.492 -0.124 1.00 0.00 H new ATOM 0 HG SER A 86 11.799 9.944 1.217 1.00 0.00 H new ATOM 1325 N THR A 87 11.477 13.097 -1.706 1.00 0.00 N ATOM 1326 CA THR A 87 11.703 13.345 -3.119 1.00 0.00 C ATOM 1327 C THR A 87 12.588 12.250 -3.718 1.00 0.00 C ATOM 1328 O THR A 87 13.343 12.502 -4.656 1.00 0.00 O ATOM 1329 CB THR A 87 12.292 14.750 -3.264 1.00 0.00 C ATOM 1330 OG1 THR A 87 12.659 14.832 -4.639 1.00 0.00 O ATOM 1331 CG2 THR A 87 13.616 14.910 -2.514 1.00 0.00 C ATOM 0 H THR A 87 12.306 13.190 -1.119 1.00 0.00 H new ATOM 0 HA THR A 87 10.770 13.308 -3.681 1.00 0.00 H new ATOM 0 HB THR A 87 11.576 15.484 -2.895 1.00 0.00 H new ATOM 0 HG1 THR A 87 13.381 14.196 -4.823 1.00 0.00 H new ATOM 0 HG21 THR A 87 13.991 15.925 -2.650 1.00 0.00 H new ATOM 0 HG22 THR A 87 13.458 14.720 -1.452 1.00 0.00 H new ATOM 0 HG23 THR A 87 14.344 14.199 -2.905 1.00 0.00 H new ATOM 1339 N LYS A 88 12.465 11.059 -3.152 1.00 0.00 N ATOM 1340 CA LYS A 88 13.245 9.925 -3.618 1.00 0.00 C ATOM 1341 C LYS A 88 12.432 9.143 -4.652 1.00 0.00 C ATOM 1342 O LYS A 88 11.317 9.535 -4.996 1.00 0.00 O ATOM 1343 CB LYS A 88 13.714 9.075 -2.436 1.00 0.00 C ATOM 1344 CG LYS A 88 14.807 9.796 -1.642 1.00 0.00 C ATOM 1345 CD LYS A 88 14.794 9.363 -0.175 1.00 0.00 C ATOM 1346 CE LYS A 88 16.218 9.173 0.352 1.00 0.00 C ATOM 1347 NZ LYS A 88 16.958 10.454 0.320 1.00 0.00 N ATOM 0 H LYS A 88 11.837 10.854 -2.375 1.00 0.00 H new ATOM 0 HA LYS A 88 14.153 10.266 -4.116 1.00 0.00 H new ATOM 0 HB2 LYS A 88 12.869 8.856 -1.783 1.00 0.00 H new ATOM 0 HB3 LYS A 88 14.093 8.119 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 88 15.782 9.581 -2.080 1.00 0.00 H new ATOM 0 HG3 LYS A 88 14.659 10.874 -1.708 1.00 0.00 H new ATOM 0 HD2 LYS A 88 14.277 10.112 0.425 1.00 0.00 H new ATOM 0 HD3 LYS A 88 14.237 8.432 -0.072 1.00 0.00 H new ATOM 0 HE2 LYS A 88 16.186 8.790 1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 88 16.739 8.430 -0.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 17.871 10.339 0.804 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 17.122 10.736 -0.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 16.401 11.189 0.801 1.00 0.00 H new ATOM 1361 N SER A 89 13.021 8.053 -5.119 1.00 0.00 N ATOM 1362 CA SER A 89 12.365 7.213 -6.107 1.00 0.00 C ATOM 1363 C SER A 89 11.383 6.263 -5.418 1.00 0.00 C ATOM 1364 O SER A 89 11.729 5.615 -4.432 1.00 0.00 O ATOM 1365 CB SER A 89 13.389 6.418 -6.922 1.00 0.00 C ATOM 1366 OG SER A 89 14.617 7.125 -7.070 1.00 0.00 O ATOM 0 H SER A 89 13.945 7.731 -4.832 1.00 0.00 H new ATOM 0 HA SER A 89 11.816 7.858 -6.793 1.00 0.00 H new ATOM 0 HB2 SER A 89 13.578 5.462 -6.434 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.977 6.197 -7.907 1.00 0.00 H new ATOM 0 HG SER A 89 15.245 6.585 -7.594 1.00 0.00 H new ATOM 1372 N LEU A 90 10.178 6.211 -5.965 1.00 0.00 N ATOM 1373 CA LEU A 90 9.143 5.352 -5.415 1.00 0.00 C ATOM 1374 C LEU A 90 9.763 4.017 -4.998 1.00 0.00 C ATOM 1375 O LEU A 90 9.580 3.570 -3.866 1.00 0.00 O ATOM 1376 CB LEU A 90 7.984 5.208 -6.404 1.00 0.00 C ATOM 1377 CG LEU A 90 6.713 5.990 -6.065 1.00 0.00 C ATOM 1378 CD1 LEU A 90 6.531 7.178 -7.013 1.00 0.00 C ATOM 1379 CD2 LEU A 90 5.490 5.071 -6.057 1.00 0.00 C ATOM 0 H LEU A 90 9.895 6.750 -6.784 1.00 0.00 H new ATOM 0 HA LEU A 90 8.714 5.800 -4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 90 8.330 5.525 -7.388 1.00 0.00 H new ATOM 0 HB3 LEU A 90 7.727 4.151 -6.481 1.00 0.00 H new ATOM 0 HG LEU A 90 6.819 6.394 -5.058 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.621 7.717 -6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.387 7.847 -6.926 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.456 6.817 -8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 90 4.600 5.652 -5.813 1.00 0.00 H new ATOM 0 HD22 LEU A 90 5.369 4.617 -7.041 1.00 0.00 H new ATOM 0 HD23 LEU A 90 5.628 4.288 -5.311 1.00 0.00 H new ATOM 1391 N GLN A 91 10.486 3.418 -5.933 1.00 0.00 N ATOM 1392 CA GLN A 91 11.134 2.144 -5.676 1.00 0.00 C ATOM 1393 C GLN A 91 11.924 2.204 -4.367 1.00 0.00 C ATOM 1394 O GLN A 91 11.847 1.289 -3.548 1.00 0.00 O ATOM 1395 CB GLN A 91 12.038 1.743 -6.844 1.00 0.00 C ATOM 1396 CG GLN A 91 11.372 0.673 -7.711 1.00 0.00 C ATOM 1397 CD GLN A 91 12.030 0.597 -9.090 1.00 0.00 C ATOM 1398 OE1 GLN A 91 13.041 -0.057 -9.289 1.00 0.00 O ATOM 1399 NE2 GLN A 91 11.403 1.302 -10.028 1.00 0.00 N ATOM 0 H GLN A 91 10.637 3.792 -6.870 1.00 0.00 H new ATOM 0 HA GLN A 91 10.363 1.380 -5.577 1.00 0.00 H new ATOM 0 HB2 GLN A 91 12.264 2.620 -7.451 1.00 0.00 H new ATOM 0 HB3 GLN A 91 12.987 1.367 -6.462 1.00 0.00 H new ATOM 0 HG2 GLN A 91 11.442 -0.296 -7.217 1.00 0.00 H new ATOM 0 HG3 GLN A 91 10.311 0.898 -7.822 1.00 0.00 H new ATOM 0 HE21 GLN A 91 10.561 1.827 -9.793 1.00 0.00 H new ATOM 0 HE22 GLN A 91 11.765 1.317 -10.982 1.00 0.00 H new ATOM 1408 N GLU A 92 12.666 3.291 -4.210 1.00 0.00 N ATOM 1409 CA GLU A 92 13.469 3.483 -3.015 1.00 0.00 C ATOM 1410 C GLU A 92 12.567 3.641 -1.789 1.00 0.00 C ATOM 1411 O GLU A 92 12.853 3.090 -0.727 1.00 0.00 O ATOM 1412 CB GLU A 92 14.402 4.686 -3.168 1.00 0.00 C ATOM 1413 CG GLU A 92 15.437 4.441 -4.268 1.00 0.00 C ATOM 1414 CD GLU A 92 16.856 4.443 -3.695 1.00 0.00 C ATOM 1415 OE1 GLU A 92 17.198 5.446 -3.032 1.00 0.00 O ATOM 1416 OE2 GLU A 92 17.565 3.442 -3.934 1.00 0.00 O ATOM 0 H GLU A 92 12.728 4.048 -4.891 1.00 0.00 H new ATOM 0 HA GLU A 92 14.091 2.599 -2.873 1.00 0.00 H new ATOM 0 HB2 GLU A 92 13.818 5.576 -3.405 1.00 0.00 H new ATOM 0 HB3 GLU A 92 14.909 4.880 -2.223 1.00 0.00 H new ATOM 0 HG2 GLU A 92 15.238 3.485 -4.753 1.00 0.00 H new ATOM 0 HG3 GLU A 92 15.349 5.212 -5.034 1.00 0.00 H new ATOM 1423 N LEU A 93 11.495 4.397 -1.977 1.00 0.00 N ATOM 1424 CA LEU A 93 10.549 4.635 -0.899 1.00 0.00 C ATOM 1425 C LEU A 93 10.010 3.295 -0.395 1.00 0.00 C ATOM 1426 O LEU A 93 10.017 3.032 0.807 1.00 0.00 O ATOM 1427 CB LEU A 93 9.457 5.607 -1.350 1.00 0.00 C ATOM 1428 CG LEU A 93 9.824 7.091 -1.316 1.00 0.00 C ATOM 1429 CD1 LEU A 93 8.623 7.962 -1.691 1.00 0.00 C ATOM 1430 CD2 LEU A 93 10.411 7.480 0.042 1.00 0.00 C ATOM 0 H LEU A 93 11.260 4.853 -2.859 1.00 0.00 H new ATOM 0 HA LEU A 93 11.044 5.117 -0.056 1.00 0.00 H new ATOM 0 HB2 LEU A 93 9.166 5.348 -2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 93 8.581 5.455 -0.720 1.00 0.00 H new ATOM 0 HG LEU A 93 10.597 7.268 -2.064 1.00 0.00 H new ATOM 0 HD11 LEU A 93 8.911 9.013 -1.659 1.00 0.00 H new ATOM 0 HD12 LEU A 93 8.289 7.708 -2.697 1.00 0.00 H new ATOM 0 HD13 LEU A 93 7.812 7.787 -0.984 1.00 0.00 H new ATOM 0 HD21 LEU A 93 10.663 8.540 0.039 1.00 0.00 H new ATOM 0 HD22 LEU A 93 9.678 7.284 0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 93 11.310 6.894 0.231 1.00 0.00 H new ATOM 1442 N PHE A 94 9.556 2.483 -1.338 1.00 0.00 N ATOM 1443 CA PHE A 94 9.015 1.176 -1.004 1.00 0.00 C ATOM 1444 C PHE A 94 10.004 0.373 -0.157 1.00 0.00 C ATOM 1445 O PHE A 94 9.659 -0.100 0.925 1.00 0.00 O ATOM 1446 CB PHE A 94 8.776 0.440 -2.324 1.00 0.00 C ATOM 1447 CG PHE A 94 7.730 1.100 -3.224 1.00 0.00 C ATOM 1448 CD1 PHE A 94 6.688 1.778 -2.672 1.00 0.00 C ATOM 1449 CD2 PHE A 94 7.841 1.008 -4.576 1.00 0.00 C ATOM 1450 CE1 PHE A 94 5.717 2.390 -3.507 1.00 0.00 C ATOM 1451 CE2 PHE A 94 6.870 1.620 -5.412 1.00 0.00 C ATOM 1452 CZ PHE A 94 5.828 2.298 -4.860 1.00 0.00 C ATOM 0 H PHE A 94 9.552 2.705 -2.334 1.00 0.00 H new ATOM 0 HA PHE A 94 8.096 1.290 -0.430 1.00 0.00 H new ATOM 0 HB2 PHE A 94 9.719 0.375 -2.867 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.462 -0.581 -2.107 1.00 0.00 H new ATOM 0 HD1 PHE A 94 6.599 1.851 -1.598 1.00 0.00 H new ATOM 0 HD2 PHE A 94 8.668 0.469 -5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.890 2.929 -3.068 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.959 1.547 -6.486 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.089 2.763 -5.495 1.00 0.00 H new ATOM 1462 N LEU A 95 11.214 0.244 -0.681 1.00 0.00 N ATOM 1463 CA LEU A 95 12.256 -0.494 0.013 1.00 0.00 C ATOM 1464 C LEU A 95 12.609 0.232 1.313 1.00 0.00 C ATOM 1465 O LEU A 95 13.041 -0.394 2.280 1.00 0.00 O ATOM 1466 CB LEU A 95 13.455 -0.723 -0.909 1.00 0.00 C ATOM 1467 CG LEU A 95 13.420 -2.000 -1.751 1.00 0.00 C ATOM 1468 CD1 LEU A 95 14.019 -1.759 -3.138 1.00 0.00 C ATOM 1469 CD2 LEU A 95 14.107 -3.157 -1.022 1.00 0.00 C ATOM 0 H LEU A 95 11.496 0.638 -1.578 1.00 0.00 H new ATOM 0 HA LEU A 95 11.901 -1.487 0.288 1.00 0.00 H new ATOM 0 HB2 LEU A 95 13.538 0.130 -1.582 1.00 0.00 H new ATOM 0 HB3 LEU A 95 14.359 -0.738 -0.300 1.00 0.00 H new ATOM 0 HG LEU A 95 12.378 -2.285 -1.896 1.00 0.00 H new ATOM 0 HD11 LEU A 95 13.982 -2.682 -3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 95 13.447 -0.986 -3.652 1.00 0.00 H new ATOM 0 HD13 LEU A 95 15.055 -1.436 -3.036 1.00 0.00 H new ATOM 0 HD21 LEU A 95 14.068 -4.052 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 95 15.147 -2.897 -0.825 1.00 0.00 H new ATOM 0 HD23 LEU A 95 13.596 -3.347 -0.078 1.00 0.00 H new ATOM 1481 N ALA A 96 12.412 1.542 1.294 1.00 0.00 N ATOM 1482 CA ALA A 96 12.704 2.359 2.459 1.00 0.00 C ATOM 1483 C ALA A 96 11.594 2.178 3.496 1.00 0.00 C ATOM 1484 O ALA A 96 11.681 2.706 4.603 1.00 0.00 O ATOM 1485 CB ALA A 96 12.868 3.819 2.030 1.00 0.00 C ATOM 0 H ALA A 96 12.054 2.058 0.490 1.00 0.00 H new ATOM 0 HA ALA A 96 13.640 2.047 2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 96 13.087 4.433 2.904 1.00 0.00 H new ATOM 0 HB2 ALA A 96 13.688 3.899 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 96 11.946 4.167 1.564 1.00 0.00 H new ATOM 1491 N HIS A 97 10.575 1.429 3.100 1.00 0.00 N ATOM 1492 CA HIS A 97 9.449 1.171 3.981 1.00 0.00 C ATOM 1493 C HIS A 97 8.795 -0.160 3.603 1.00 0.00 C ATOM 1494 O HIS A 97 7.577 -0.304 3.687 1.00 0.00 O ATOM 1495 CB HIS A 97 8.464 2.342 3.960 1.00 0.00 C ATOM 1496 CG HIS A 97 9.093 3.679 4.269 1.00 0.00 C ATOM 1497 ND1 HIS A 97 9.368 4.098 5.559 1.00 0.00 N ATOM 1498 CD2 HIS A 97 9.499 4.685 3.442 1.00 0.00 C ATOM 1499 CE1 HIS A 97 9.913 5.304 5.500 1.00 0.00 C ATOM 1500 NE2 HIS A 97 9.993 5.667 4.187 1.00 0.00 N ATOM 0 H HIS A 97 10.506 0.993 2.181 1.00 0.00 H new ATOM 0 HA HIS A 97 9.800 1.084 5.009 1.00 0.00 H new ATOM 0 HB2 HIS A 97 7.995 2.391 2.977 1.00 0.00 H new ATOM 0 HB3 HIS A 97 7.671 2.149 4.683 1.00 0.00 H new ATOM 0 HD1 HIS A 97 9.183 3.568 6.411 1.00 0.00 H new ATOM 0 HD2 HIS A 97 9.430 4.683 2.364 1.00 0.00 H new ATOM 0 HE1 HIS A 97 10.237 5.896 6.343 1.00 0.00 H new ATOM 1508 N ILE A 98 9.635 -1.100 3.194 1.00 0.00 N ATOM 1509 CA ILE A 98 9.155 -2.414 2.802 1.00 0.00 C ATOM 1510 C ILE A 98 9.070 -3.310 4.039 1.00 0.00 C ATOM 1511 O ILE A 98 10.069 -3.526 4.724 1.00 0.00 O ATOM 1512 CB ILE A 98 10.025 -2.991 1.684 1.00 0.00 C ATOM 1513 CG1 ILE A 98 9.359 -4.212 1.046 1.00 0.00 C ATOM 1514 CG2 ILE A 98 11.433 -3.306 2.191 1.00 0.00 C ATOM 1515 CD1 ILE A 98 8.923 -3.912 -0.389 1.00 0.00 C ATOM 0 H ILE A 98 10.645 -0.977 3.126 1.00 0.00 H new ATOM 0 HA ILE A 98 8.149 -2.344 2.388 1.00 0.00 H new ATOM 0 HB ILE A 98 10.126 -2.235 0.905 1.00 0.00 H new ATOM 0 HG12 ILE A 98 10.053 -5.053 1.051 1.00 0.00 H new ATOM 0 HG13 ILE A 98 8.493 -4.509 1.638 1.00 0.00 H new ATOM 0 HG21 ILE A 98 12.030 -3.715 1.376 1.00 0.00 H new ATOM 0 HG22 ILE A 98 11.900 -2.393 2.560 1.00 0.00 H new ATOM 0 HG23 ILE A 98 11.374 -4.035 2.999 1.00 0.00 H new ATOM 0 HD11 ILE A 98 8.453 -4.796 -0.819 1.00 0.00 H new ATOM 0 HD12 ILE A 98 8.211 -3.087 -0.388 1.00 0.00 H new ATOM 0 HD13 ILE A 98 9.794 -3.639 -0.984 1.00 0.00 H new ATOM 1527 N LEU A 99 7.867 -3.808 4.289 1.00 0.00 N ATOM 1528 CA LEU A 99 7.639 -4.676 5.431 1.00 0.00 C ATOM 1529 C LEU A 99 7.762 -6.136 4.990 1.00 0.00 C ATOM 1530 O LEU A 99 7.977 -7.021 5.816 1.00 0.00 O ATOM 1531 CB LEU A 99 6.301 -4.345 6.096 1.00 0.00 C ATOM 1532 CG LEU A 99 6.185 -2.949 6.712 1.00 0.00 C ATOM 1533 CD1 LEU A 99 4.865 -2.793 7.470 1.00 0.00 C ATOM 1534 CD2 LEU A 99 7.394 -2.638 7.596 1.00 0.00 C ATOM 0 H LEU A 99 7.040 -3.626 3.720 1.00 0.00 H new ATOM 0 HA LEU A 99 8.399 -4.509 6.194 1.00 0.00 H new ATOM 0 HB2 LEU A 99 5.511 -4.460 5.354 1.00 0.00 H new ATOM 0 HB3 LEU A 99 6.114 -5.082 6.877 1.00 0.00 H new ATOM 0 HG LEU A 99 6.181 -2.218 5.904 1.00 0.00 H new ATOM 0 HD11 LEU A 99 4.807 -1.792 7.898 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.031 -2.943 6.784 1.00 0.00 H new ATOM 0 HD13 LEU A 99 4.815 -3.533 8.269 1.00 0.00 H new ATOM 0 HD21 LEU A 99 7.287 -1.640 8.021 1.00 0.00 H new ATOM 0 HD22 LEU A 99 7.455 -3.371 8.401 1.00 0.00 H new ATOM 0 HD23 LEU A 99 8.304 -2.681 6.997 1.00 0.00 H new ATOM 1546 N SER A 100 7.621 -6.341 3.689 1.00 0.00 N ATOM 1547 CA SER A 100 7.714 -7.678 3.128 1.00 0.00 C ATOM 1548 C SER A 100 9.075 -7.870 2.455 1.00 0.00 C ATOM 1549 O SER A 100 9.905 -6.962 2.454 1.00 0.00 O ATOM 1550 CB SER A 100 6.586 -7.936 2.127 1.00 0.00 C ATOM 1551 OG SER A 100 6.601 -6.999 1.053 1.00 0.00 O ATOM 0 H SER A 100 7.443 -5.604 3.007 1.00 0.00 H new ATOM 0 HA SER A 100 7.613 -8.397 3.941 1.00 0.00 H new ATOM 0 HB2 SER A 100 6.679 -8.946 1.728 1.00 0.00 H new ATOM 0 HB3 SER A 100 5.626 -7.883 2.641 1.00 0.00 H new ATOM 0 HG SER A 100 6.244 -7.422 0.244 1.00 0.00 H new ATOM 1557 N SER A 101 9.262 -9.057 1.898 1.00 0.00 N ATOM 1558 CA SER A 101 10.507 -9.380 1.222 1.00 0.00 C ATOM 1559 C SER A 101 10.252 -9.602 -0.270 1.00 0.00 C ATOM 1560 O SER A 101 11.152 -10.006 -1.004 1.00 0.00 O ATOM 1561 CB SER A 101 11.164 -10.617 1.838 1.00 0.00 C ATOM 1562 OG SER A 101 12.396 -10.303 2.482 1.00 0.00 O ATOM 0 H SER A 101 8.572 -9.808 1.901 1.00 0.00 H new ATOM 0 HA SER A 101 11.190 -8.539 1.346 1.00 0.00 H new ATOM 0 HB2 SER A 101 10.483 -11.068 2.559 1.00 0.00 H new ATOM 0 HB3 SER A 101 11.341 -11.359 1.059 1.00 0.00 H new ATOM 0 HG SER A 101 12.783 -11.119 2.864 1.00 0.00 H new ATOM 1568 N TRP A 102 9.020 -9.328 -0.673 1.00 0.00 N ATOM 1569 CA TRP A 102 8.634 -9.493 -2.065 1.00 0.00 C ATOM 1570 C TRP A 102 8.089 -8.154 -2.566 1.00 0.00 C ATOM 1571 O TRP A 102 8.261 -7.126 -1.913 1.00 0.00 O ATOM 1572 CB TRP A 102 7.637 -10.642 -2.225 1.00 0.00 C ATOM 1573 CG TRP A 102 6.217 -10.302 -1.771 1.00 0.00 C ATOM 1574 CD1 TRP A 102 5.254 -9.683 -2.467 1.00 0.00 C ATOM 1575 CD2 TRP A 102 5.634 -10.589 -0.482 1.00 0.00 C ATOM 1576 NE1 TRP A 102 4.098 -9.550 -1.725 1.00 0.00 N ATOM 1577 CE2 TRP A 102 4.337 -10.118 -0.479 1.00 0.00 C ATOM 1578 CE3 TRP A 102 6.185 -11.225 0.644 1.00 0.00 C ATOM 1579 CZ2 TRP A 102 3.481 -10.234 0.623 1.00 0.00 C ATOM 1580 CZ3 TRP A 102 5.317 -11.333 1.738 1.00 0.00 C ATOM 1581 CH2 TRP A 102 4.009 -10.864 1.756 1.00 0.00 C ATOM 0 H TRP A 102 8.276 -8.993 -0.061 1.00 0.00 H new ATOM 0 HA TRP A 102 9.495 -9.768 -2.674 1.00 0.00 H new ATOM 0 HB2 TRP A 102 7.610 -10.943 -3.272 1.00 0.00 H new ATOM 0 HB3 TRP A 102 7.994 -11.501 -1.656 1.00 0.00 H new ATOM 0 HD1 TRP A 102 5.368 -9.332 -3.482 1.00 0.00 H new ATOM 0 HE1 TRP A 102 3.229 -9.115 -2.034 1.00 0.00 H new ATOM 0 HE3 TRP A 102 7.197 -11.601 0.664 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 2.469 -9.858 0.600 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 5.690 -11.814 2.630 1.00 0.00 H new ATOM 0 HH2 TRP A 102 3.402 -10.985 2.641 1.00 0.00 H new ATOM 1592 N GLY A 103 7.442 -8.210 -3.721 1.00 0.00 N ATOM 1593 CA GLY A 103 6.870 -7.015 -4.317 1.00 0.00 C ATOM 1594 C GLY A 103 7.804 -6.431 -5.380 1.00 0.00 C ATOM 1595 O GLY A 103 8.133 -5.247 -5.340 1.00 0.00 O ATOM 0 H GLY A 103 7.301 -9.065 -4.260 1.00 0.00 H new ATOM 0 HA2 GLY A 103 5.906 -7.254 -4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 103 6.685 -6.271 -3.542 1.00 0.00 H new