USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 639 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 36 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 79 LYS NZ :NH3+ 165:sc= -0.0941 (180deg=-0.369) USER MOD Single : A 6 GLN : amide:sc= -0.0584 X(o=-0.058,f=-0.058) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.277 K(o=-0.28,f=-1.7) USER MOD Single : A 22 THR OG1 : rot -150:sc= -0.52 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc=-0.00105 X(o=-0.001,f=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.483 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot -63:sc= -0.426 USER MOD Single : A 46 HIS : no HD1:sc= 0.0223 K(o=0.022,f=-3.5!) USER MOD Single : A 47 ASN : amide:sc= -0.44 X(o=-0.44,f=-0.27) USER MOD Single : A 48 CYS SG : rot 61:sc= 0.0326 USER MOD Single : A 51 THR OG1 : rot -140:sc= 0 USER MOD Single : A 55 MET CE :methyl 175:sc= -0.525 (180deg=-0.668) USER MOD Single : A 56 SER OG : rot 180:sc= -0.274 USER MOD Single : A 58 SER OG : rot -9:sc= 0.9 USER MOD Single : A 59 LYS NZ :NH3+ -129:sc= -2.4 (180deg=-4!) USER MOD Single : A 62 CYS SG : rot 26:sc= -5.95! USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 THR OG1 : rot 180:sc=-0.00579 USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot -10:sc= 0.742 USER MOD Single : A 86 SER OG : rot -93:sc= 1.05 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot -129:sc= 0.935 USER MOD Single : A 91 LYS NZ :NH3+ -95:sc= 1.26 (180deg=0.0378) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 62 N GLN A 6 -16.201 5.617 -0.424 1.00 0.00 N ATOM 63 CA GLN A 6 -15.110 6.443 -0.934 1.00 0.00 C ATOM 64 C GLN A 6 -13.857 5.602 -1.190 1.00 0.00 C ATOM 65 O GLN A 6 -13.549 4.690 -0.423 1.00 0.00 O ATOM 66 CB GLN A 6 -14.790 7.569 0.051 1.00 0.00 C ATOM 67 CG GLN A 6 -15.982 8.458 0.369 1.00 0.00 C ATOM 68 CD GLN A 6 -16.577 9.102 -0.868 1.00 0.00 C ATOM 69 OE1 GLN A 6 -15.904 9.849 -1.578 1.00 0.00 O ATOM 70 NE2 GLN A 6 -17.846 8.816 -1.132 1.00 0.00 N ATOM 0 HA GLN A 6 -15.432 6.877 -1.880 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -14.415 7.134 0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -13.989 8.183 -0.360 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -16.748 7.866 0.870 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -15.674 9.237 1.067 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -18.367 8.191 -0.516 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -18.300 9.221 -1.951 1.00 0.00 H new ATOM 79 N PRO A 7 -13.117 5.901 -2.275 1.00 0.00 N ATOM 80 CA PRO A 7 -11.893 5.169 -2.630 1.00 0.00 C ATOM 81 C PRO A 7 -10.858 5.191 -1.507 1.00 0.00 C ATOM 82 O PRO A 7 -10.810 6.136 -0.720 1.00 0.00 O ATOM 83 CB PRO A 7 -11.360 5.909 -3.864 1.00 0.00 C ATOM 84 CG PRO A 7 -12.069 7.222 -3.875 1.00 0.00 C ATOM 85 CD PRO A 7 -13.407 6.973 -3.241 1.00 0.00 C ATOM 0 HA PRO A 7 -12.097 4.114 -2.813 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -10.280 6.046 -3.804 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -11.560 5.347 -4.776 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -11.508 7.974 -3.320 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -12.183 7.596 -4.893 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -13.794 7.866 -2.750 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -14.151 6.665 -3.975 1.00 0.00 H new ATOM 93 N PRO A 8 -10.018 4.142 -1.416 1.00 0.00 N ATOM 94 CA PRO A 8 -8.984 4.042 -0.380 1.00 0.00 C ATOM 95 C PRO A 8 -8.154 5.314 -0.251 1.00 0.00 C ATOM 96 O PRO A 8 -7.852 5.977 -1.243 1.00 0.00 O ATOM 97 CB PRO A 8 -8.112 2.885 -0.865 1.00 0.00 C ATOM 98 CG PRO A 8 -9.036 2.028 -1.655 1.00 0.00 C ATOM 99 CD PRO A 8 -10.012 2.967 -2.312 1.00 0.00 C ATOM 0 HA PRO A 8 -9.416 3.889 0.609 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.282 3.242 -1.475 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.679 2.336 -0.028 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.490 1.449 -2.400 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -9.553 1.315 -1.012 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -9.696 3.233 -3.321 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -11.003 2.521 -2.396 1.00 0.00 H new ATOM 107 N LEU A 9 -7.790 5.645 0.984 1.00 0.00 N ATOM 108 CA LEU A 9 -6.995 6.834 1.257 1.00 0.00 C ATOM 109 C LEU A 9 -6.042 6.562 2.420 1.00 0.00 C ATOM 110 O LEU A 9 -6.471 6.393 3.562 1.00 0.00 O ATOM 111 CB LEU A 9 -7.924 8.011 1.581 1.00 0.00 C ATOM 112 CG LEU A 9 -7.299 9.407 1.489 1.00 0.00 C ATOM 113 CD1 LEU A 9 -8.371 10.472 1.657 1.00 0.00 C ATOM 114 CD2 LEU A 9 -6.214 9.589 2.537 1.00 0.00 C ATOM 0 H LEU A 9 -8.035 5.104 1.813 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.404 7.089 0.378 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.777 7.972 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.312 7.874 2.590 1.00 0.00 H new ATOM 0 HG LEU A 9 -6.843 9.511 0.505 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -7.916 11.460 1.590 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.119 10.363 0.871 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.848 10.358 2.630 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -5.787 10.588 2.449 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -6.644 9.464 3.531 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -5.432 8.846 2.384 1.00 0.00 H new ATOM 126 N VAL A 10 -4.750 6.510 2.116 1.00 0.00 N ATOM 127 CA VAL A 10 -3.730 6.241 3.125 1.00 0.00 C ATOM 128 C VAL A 10 -3.357 7.497 3.911 1.00 0.00 C ATOM 129 O VAL A 10 -3.200 8.577 3.342 1.00 0.00 O ATOM 130 CB VAL A 10 -2.459 5.649 2.486 1.00 0.00 C ATOM 131 CG1 VAL A 10 -1.397 5.379 3.543 1.00 0.00 C ATOM 132 CG2 VAL A 10 -2.792 4.378 1.718 1.00 0.00 C ATOM 0 H VAL A 10 -4.382 6.651 1.175 1.00 0.00 H new ATOM 0 HA VAL A 10 -4.162 5.516 3.815 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.057 6.379 1.784 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -0.509 4.961 3.068 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -1.136 6.312 4.043 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.784 4.670 4.275 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -1.883 3.973 1.273 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -3.221 3.643 2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -3.511 4.606 0.931 1.00 0.00 H new ATOM 142 N THR A 11 -3.207 7.332 5.225 1.00 0.00 N ATOM 143 CA THR A 11 -2.839 8.429 6.117 1.00 0.00 C ATOM 144 C THR A 11 -2.138 7.896 7.364 1.00 0.00 C ATOM 145 O THR A 11 -2.434 8.316 8.483 1.00 0.00 O ATOM 146 CB THR A 11 -4.068 9.249 6.560 1.00 0.00 C ATOM 147 OG1 THR A 11 -5.082 8.377 7.072 1.00 0.00 O ATOM 148 CG2 THR A 11 -4.629 10.072 5.411 1.00 0.00 C ATOM 0 H THR A 11 -3.337 6.438 5.699 1.00 0.00 H new ATOM 0 HA THR A 11 -2.167 9.077 5.554 1.00 0.00 H new ATOM 0 HB THR A 11 -3.747 9.935 7.344 1.00 0.00 H new ATOM 0 HG1 THR A 11 -5.858 8.906 7.352 1.00 0.00 H new ATOM 0 HG21 THR A 11 -5.494 10.638 5.757 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.865 10.761 5.050 1.00 0.00 H new ATOM 0 HG23 THR A 11 -4.930 9.408 4.601 1.00 0.00 H new ATOM 156 N GLY A 12 -1.210 6.962 7.165 1.00 0.00 N ATOM 157 CA GLY A 12 -0.489 6.386 8.286 1.00 0.00 C ATOM 158 C GLY A 12 0.551 5.368 7.857 1.00 0.00 C ATOM 159 O GLY A 12 0.340 4.614 6.907 1.00 0.00 O ATOM 0 H GLY A 12 -0.946 6.596 6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -0.001 7.183 8.846 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -1.199 5.910 8.963 1.00 0.00 H new ATOM 163 N ILE A 13 1.675 5.346 8.567 1.00 0.00 N ATOM 164 CA ILE A 13 2.758 4.414 8.269 1.00 0.00 C ATOM 165 C ILE A 13 3.735 4.337 9.440 1.00 0.00 C ATOM 166 O ILE A 13 4.192 5.362 9.947 1.00 0.00 O ATOM 167 CB ILE A 13 3.519 4.824 6.988 1.00 0.00 C ATOM 168 CG1 ILE A 13 4.621 3.808 6.669 1.00 0.00 C ATOM 169 CG2 ILE A 13 4.103 6.224 7.133 1.00 0.00 C ATOM 170 CD1 ILE A 13 5.316 4.062 5.348 1.00 0.00 C ATOM 0 H ILE A 13 1.860 5.966 9.356 1.00 0.00 H new ATOM 0 HA ILE A 13 2.310 3.434 8.106 1.00 0.00 H new ATOM 0 HB ILE A 13 2.812 4.835 6.158 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.362 3.825 7.469 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.188 2.808 6.656 1.00 0.00 H new ATOM 0 HG21 ILE A 13 4.635 6.493 6.220 1.00 0.00 H new ATOM 0 HG22 ILE A 13 3.298 6.938 7.308 1.00 0.00 H new ATOM 0 HG23 ILE A 13 4.795 6.244 7.975 1.00 0.00 H new ATOM 0 HD11 ILE A 13 6.083 3.304 5.189 1.00 0.00 H new ATOM 0 HD12 ILE A 13 4.587 4.016 4.539 1.00 0.00 H new ATOM 0 HD13 ILE A 13 5.779 5.049 5.364 1.00 0.00 H new ATOM 182 N SER A 14 4.044 3.118 9.879 1.00 0.00 N ATOM 183 CA SER A 14 4.959 2.930 10.999 1.00 0.00 C ATOM 184 C SER A 14 6.368 3.410 10.641 1.00 0.00 C ATOM 185 O SER A 14 6.900 4.306 11.299 1.00 0.00 O ATOM 186 CB SER A 14 4.980 1.465 11.450 1.00 0.00 C ATOM 187 OG SER A 14 5.885 1.276 12.524 1.00 0.00 O ATOM 0 H SER A 14 3.677 2.254 9.479 1.00 0.00 H new ATOM 0 HA SER A 14 4.598 3.534 11.832 1.00 0.00 H new ATOM 0 HB2 SER A 14 3.979 1.161 11.756 1.00 0.00 H new ATOM 0 HB3 SER A 14 5.265 0.827 10.613 1.00 0.00 H new ATOM 0 HG SER A 14 5.879 0.334 12.795 1.00 0.00 H new ATOM 193 N PRO A 15 7.002 2.837 9.595 1.00 0.00 N ATOM 194 CA PRO A 15 8.334 3.235 9.179 1.00 0.00 C ATOM 195 C PRO A 15 8.302 4.272 8.063 1.00 0.00 C ATOM 196 O PRO A 15 7.783 4.010 6.979 1.00 0.00 O ATOM 197 CB PRO A 15 8.922 1.920 8.676 1.00 0.00 C ATOM 198 CG PRO A 15 7.750 1.123 8.180 1.00 0.00 C ATOM 199 CD PRO A 15 6.493 1.766 8.725 1.00 0.00 C ATOM 0 HA PRO A 15 8.905 3.705 9.979 1.00 0.00 H new ATOM 0 HB2 PRO A 15 9.645 2.092 7.879 1.00 0.00 H new ATOM 0 HB3 PRO A 15 9.446 1.393 9.474 1.00 0.00 H new ATOM 0 HG2 PRO A 15 7.731 1.109 7.090 1.00 0.00 H new ATOM 0 HG3 PRO A 15 7.824 0.087 8.511 1.00 0.00 H new ATOM 0 HD2 PRO A 15 5.866 2.162 7.926 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.886 1.052 9.281 1.00 0.00 H new ATOM 207 N ASN A 16 8.857 5.448 8.331 1.00 0.00 N ATOM 208 CA ASN A 16 8.883 6.513 7.336 1.00 0.00 C ATOM 209 C ASN A 16 10.248 6.584 6.656 1.00 0.00 C ATOM 210 O ASN A 16 10.686 7.655 6.234 1.00 0.00 O ATOM 211 CB ASN A 16 8.546 7.856 7.988 1.00 0.00 C ATOM 212 CG ASN A 16 7.223 7.821 8.728 1.00 0.00 C ATOM 213 OD1 ASN A 16 7.043 7.045 9.668 1.00 0.00 O ATOM 214 ND2 ASN A 16 6.289 8.666 8.309 1.00 0.00 N ATOM 0 H ASN A 16 9.292 5.687 9.222 1.00 0.00 H new ATOM 0 HA ASN A 16 8.132 6.292 6.577 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.341 8.130 8.682 1.00 0.00 H new ATOM 0 HB3 ASN A 16 8.511 8.631 7.222 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.379 8.690 8.770 1.00 0.00 H new ATOM 0 HD22 ASN A 16 6.481 9.291 7.526 1.00 0.00 H new ATOM 221 N GLU A 17 10.906 5.431 6.550 1.00 0.00 N ATOM 222 CA GLU A 17 12.221 5.341 5.919 1.00 0.00 C ATOM 223 C GLU A 17 12.740 3.906 5.963 1.00 0.00 C ATOM 224 O GLU A 17 12.742 3.270 7.019 1.00 0.00 O ATOM 225 CB GLU A 17 13.216 6.278 6.610 1.00 0.00 C ATOM 226 CG GLU A 17 13.361 6.023 8.102 1.00 0.00 C ATOM 227 CD GLU A 17 14.339 6.974 8.764 1.00 0.00 C ATOM 228 OE1 GLU A 17 14.104 8.199 8.710 1.00 0.00 O ATOM 229 OE2 GLU A 17 15.340 6.494 9.337 1.00 0.00 O ATOM 0 H GLU A 17 10.547 4.541 6.895 1.00 0.00 H new ATOM 0 HA GLU A 17 12.118 5.646 4.877 1.00 0.00 H new ATOM 0 HB2 GLU A 17 14.192 6.171 6.136 1.00 0.00 H new ATOM 0 HB3 GLU A 17 12.898 7.309 6.456 1.00 0.00 H new ATOM 0 HG2 GLU A 17 12.386 6.120 8.580 1.00 0.00 H new ATOM 0 HG3 GLU A 17 13.693 4.997 8.261 1.00 0.00 H new ATOM 236 N GLY A 18 13.171 3.395 4.813 1.00 0.00 N ATOM 237 CA GLY A 18 13.677 2.036 4.753 1.00 0.00 C ATOM 238 C GLY A 18 13.780 1.511 3.334 1.00 0.00 C ATOM 239 O GLY A 18 13.033 1.934 2.453 1.00 0.00 O ATOM 0 H GLY A 18 13.179 3.896 3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 18 14.660 1.998 5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 18 13.023 1.383 5.331 1.00 0.00 H new ATOM 243 N ILE A 19 14.707 0.583 3.115 1.00 0.00 N ATOM 244 CA ILE A 19 14.905 -0.010 1.797 1.00 0.00 C ATOM 245 C ILE A 19 13.607 -0.629 1.270 1.00 0.00 C ATOM 246 O ILE A 19 12.670 -0.855 2.032 1.00 0.00 O ATOM 247 CB ILE A 19 16.015 -1.081 1.826 1.00 0.00 C ATOM 248 CG1 ILE A 19 15.697 -2.156 2.868 1.00 0.00 C ATOM 249 CG2 ILE A 19 17.362 -0.431 2.110 1.00 0.00 C ATOM 250 CD1 ILE A 19 16.705 -3.285 2.906 1.00 0.00 C ATOM 0 H ILE A 19 15.334 0.225 3.835 1.00 0.00 H new ATOM 0 HA ILE A 19 15.211 0.793 1.126 1.00 0.00 H new ATOM 0 HB ILE A 19 16.064 -1.563 0.850 1.00 0.00 H new ATOM 0 HG12 ILE A 19 15.648 -1.691 3.853 1.00 0.00 H new ATOM 0 HG13 ILE A 19 14.710 -2.569 2.661 1.00 0.00 H new ATOM 0 HG21 ILE A 19 18.138 -1.196 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 19 17.587 0.296 1.330 1.00 0.00 H new ATOM 0 HG23 ILE A 19 17.326 0.073 3.076 1.00 0.00 H new ATOM 0 HD11 ILE A 19 16.413 -4.008 3.668 1.00 0.00 H new ATOM 0 HD12 ILE A 19 16.738 -3.776 1.934 1.00 0.00 H new ATOM 0 HD13 ILE A 19 17.691 -2.885 3.144 1.00 0.00 H new ATOM 262 N PRO A 20 13.524 -0.890 -0.048 1.00 0.00 N ATOM 263 CA PRO A 20 12.324 -1.466 -0.674 1.00 0.00 C ATOM 264 C PRO A 20 11.786 -2.703 0.047 1.00 0.00 C ATOM 265 O PRO A 20 10.583 -2.827 0.269 1.00 0.00 O ATOM 266 CB PRO A 20 12.817 -1.846 -2.071 1.00 0.00 C ATOM 267 CG PRO A 20 13.908 -0.878 -2.359 1.00 0.00 C ATOM 268 CD PRO A 20 14.587 -0.624 -1.043 1.00 0.00 C ATOM 0 HA PRO A 20 11.492 -0.762 -0.657 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.181 -2.873 -2.097 1.00 0.00 H new ATOM 0 HB3 PRO A 20 12.017 -1.772 -2.808 1.00 0.00 H new ATOM 0 HG2 PRO A 20 14.609 -1.284 -3.089 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.510 0.046 -2.779 1.00 0.00 H new ATOM 0 HD2 PRO A 20 15.444 -1.282 -0.900 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.956 0.399 -0.973 1.00 0.00 H new ATOM 276 N TRP A 21 12.671 -3.628 0.391 1.00 0.00 N ATOM 277 CA TRP A 21 12.260 -4.858 1.064 1.00 0.00 C ATOM 278 C TRP A 21 11.829 -4.613 2.509 1.00 0.00 C ATOM 279 O TRP A 21 11.369 -5.534 3.185 1.00 0.00 O ATOM 280 CB TRP A 21 13.377 -5.900 1.016 1.00 0.00 C ATOM 281 CG TRP A 21 13.689 -6.362 -0.375 1.00 0.00 C ATOM 282 CD1 TRP A 21 14.565 -5.792 -1.254 1.00 0.00 C ATOM 283 CD2 TRP A 21 13.100 -7.475 -1.057 1.00 0.00 C ATOM 284 NE1 TRP A 21 14.571 -6.495 -2.435 1.00 0.00 N ATOM 285 CE2 TRP A 21 13.678 -7.530 -2.340 1.00 0.00 C ATOM 286 CE3 TRP A 21 12.146 -8.433 -0.705 1.00 0.00 C ATOM 287 CZ2 TRP A 21 13.330 -8.506 -3.270 1.00 0.00 C ATOM 288 CZ3 TRP A 21 11.799 -9.400 -1.630 1.00 0.00 C ATOM 289 CH2 TRP A 21 12.391 -9.430 -2.899 1.00 0.00 C ATOM 0 H TRP A 21 13.673 -3.554 0.218 1.00 0.00 H new ATOM 0 HA TRP A 21 11.393 -5.239 0.525 1.00 0.00 H new ATOM 0 HB2 TRP A 21 14.278 -5.480 1.464 1.00 0.00 H new ATOM 0 HB3 TRP A 21 13.091 -6.759 1.622 1.00 0.00 H new ATOM 0 HD1 TRP A 21 15.165 -4.917 -1.051 1.00 0.00 H new ATOM 0 HE1 TRP A 21 15.146 -6.281 -3.250 1.00 0.00 H new ATOM 0 HE3 TRP A 21 11.688 -8.418 0.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 13.785 -8.533 -4.249 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 11.060 -10.144 -1.370 1.00 0.00 H new ATOM 0 HH2 TRP A 21 12.100 -10.199 -3.600 1.00 0.00 H new ATOM 300 N THR A 22 11.976 -3.380 2.986 1.00 0.00 N ATOM 301 CA THR A 22 11.594 -3.051 4.356 1.00 0.00 C ATOM 302 C THR A 22 10.097 -3.239 4.565 1.00 0.00 C ATOM 303 O THR A 22 9.282 -2.691 3.822 1.00 0.00 O ATOM 304 CB THR A 22 11.970 -1.602 4.727 1.00 0.00 C ATOM 305 OG1 THR A 22 13.386 -1.422 4.621 1.00 0.00 O ATOM 306 CG2 THR A 22 11.519 -1.264 6.141 1.00 0.00 C ATOM 0 H THR A 22 12.353 -2.599 2.450 1.00 0.00 H new ATOM 0 HA THR A 22 12.145 -3.733 5.003 1.00 0.00 H new ATOM 0 HB THR A 22 11.462 -0.933 4.032 1.00 0.00 H new ATOM 0 HG1 THR A 22 13.678 -0.742 5.264 1.00 0.00 H new ATOM 0 HG21 THR A 22 11.797 -0.237 6.376 1.00 0.00 H new ATOM 0 HG22 THR A 22 10.437 -1.373 6.213 1.00 0.00 H new ATOM 0 HG23 THR A 22 12.000 -1.940 6.848 1.00 0.00 H new ATOM 314 N LYS A 23 9.743 -4.008 5.587 1.00 0.00 N ATOM 315 CA LYS A 23 8.345 -4.260 5.902 1.00 0.00 C ATOM 316 C LYS A 23 7.674 -2.976 6.377 1.00 0.00 C ATOM 317 O LYS A 23 8.247 -2.225 7.166 1.00 0.00 O ATOM 318 CB LYS A 23 8.232 -5.342 6.980 1.00 0.00 C ATOM 319 CG LYS A 23 6.804 -5.781 7.258 1.00 0.00 C ATOM 320 CD LYS A 23 6.169 -6.436 6.041 1.00 0.00 C ATOM 321 CE LYS A 23 6.870 -7.733 5.667 1.00 0.00 C ATOM 322 NZ LYS A 23 6.223 -8.398 4.503 1.00 0.00 N ATOM 0 H LYS A 23 10.406 -4.468 6.211 1.00 0.00 H new ATOM 0 HA LYS A 23 7.841 -4.608 5.001 1.00 0.00 H new ATOM 0 HB2 LYS A 23 8.816 -6.210 6.674 1.00 0.00 H new ATOM 0 HB3 LYS A 23 8.675 -4.970 7.904 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.795 -6.480 8.094 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.210 -4.918 7.558 1.00 0.00 H new ATOM 0 HD2 LYS A 23 5.117 -6.637 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 23 6.205 -5.747 5.197 1.00 0.00 H new ATOM 0 HE2 LYS A 23 7.914 -7.527 5.433 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.863 -8.409 6.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 6.730 -9.278 4.280 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 5.233 -8.618 4.735 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.253 -7.763 3.680 1.00 0.00 H new ATOM 336 N VAL A 24 6.463 -2.719 5.888 1.00 0.00 N ATOM 337 CA VAL A 24 5.734 -1.514 6.266 1.00 0.00 C ATOM 338 C VAL A 24 4.246 -1.797 6.458 1.00 0.00 C ATOM 339 O VAL A 24 3.605 -2.423 5.614 1.00 0.00 O ATOM 340 CB VAL A 24 5.896 -0.403 5.206 1.00 0.00 C ATOM 341 CG1 VAL A 24 7.362 -0.040 5.025 1.00 0.00 C ATOM 342 CG2 VAL A 24 5.285 -0.827 3.880 1.00 0.00 C ATOM 0 H VAL A 24 5.969 -3.326 5.233 1.00 0.00 H new ATOM 0 HA VAL A 24 6.160 -1.177 7.211 1.00 0.00 H new ATOM 0 HB VAL A 24 5.365 0.480 5.560 1.00 0.00 H new ATOM 0 HG11 VAL A 24 7.453 0.744 4.274 1.00 0.00 H new ATOM 0 HG12 VAL A 24 7.768 0.316 5.972 1.00 0.00 H new ATOM 0 HG13 VAL A 24 7.917 -0.920 4.700 1.00 0.00 H new ATOM 0 HG21 VAL A 24 5.411 -0.028 3.149 1.00 0.00 H new ATOM 0 HG22 VAL A 24 5.782 -1.728 3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 24 4.223 -1.029 4.017 1.00 0.00 H new ATOM 352 N THR A 25 3.700 -1.324 7.575 1.00 0.00 N ATOM 353 CA THR A 25 2.286 -1.517 7.871 1.00 0.00 C ATOM 354 C THR A 25 1.459 -0.367 7.306 1.00 0.00 C ATOM 355 O THR A 25 1.615 0.782 7.722 1.00 0.00 O ATOM 356 CB THR A 25 2.039 -1.623 9.389 1.00 0.00 C ATOM 357 OG1 THR A 25 2.762 -2.735 9.926 1.00 0.00 O ATOM 358 CG2 THR A 25 0.555 -1.784 9.690 1.00 0.00 C ATOM 0 H THR A 25 4.214 -0.806 8.287 1.00 0.00 H new ATOM 0 HA THR A 25 1.980 -2.452 7.401 1.00 0.00 H new ATOM 0 HB THR A 25 2.389 -0.702 9.855 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.601 -2.794 10.891 1.00 0.00 H new ATOM 0 HG21 THR A 25 0.408 -1.857 10.768 1.00 0.00 H new ATOM 0 HG22 THR A 25 0.010 -0.921 9.307 1.00 0.00 H new ATOM 0 HG23 THR A 25 0.183 -2.690 9.211 1.00 0.00 H new ATOM 366 N ILE A 26 0.581 -0.679 6.359 1.00 0.00 N ATOM 367 CA ILE A 26 -0.265 0.335 5.745 1.00 0.00 C ATOM 368 C ILE A 26 -1.382 0.765 6.688 1.00 0.00 C ATOM 369 O ILE A 26 -1.964 -0.056 7.398 1.00 0.00 O ATOM 370 CB ILE A 26 -0.881 -0.159 4.421 1.00 0.00 C ATOM 371 CG1 ILE A 26 0.224 -0.510 3.422 1.00 0.00 C ATOM 372 CG2 ILE A 26 -1.810 0.902 3.842 1.00 0.00 C ATOM 373 CD1 ILE A 26 -0.296 -0.974 2.078 1.00 0.00 C ATOM 0 H ILE A 26 0.438 -1.623 6.001 1.00 0.00 H new ATOM 0 HA ILE A 26 0.377 1.190 5.534 1.00 0.00 H new ATOM 0 HB ILE A 26 -1.466 -1.057 4.619 1.00 0.00 H new ATOM 0 HG12 ILE A 26 0.859 0.364 3.274 1.00 0.00 H new ATOM 0 HG13 ILE A 26 0.852 -1.292 3.848 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -2.238 0.540 2.907 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -2.611 1.110 4.551 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.246 1.815 3.653 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.544 -1.205 1.423 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -0.907 -1.867 2.213 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.900 -0.185 1.630 1.00 0.00 H new ATOM 385 N ARG A 27 -1.679 2.057 6.681 1.00 0.00 N ATOM 386 CA ARG A 27 -2.729 2.609 7.524 1.00 0.00 C ATOM 387 C ARG A 27 -3.395 3.786 6.823 1.00 0.00 C ATOM 388 O ARG A 27 -2.717 4.680 6.319 1.00 0.00 O ATOM 389 CB ARG A 27 -2.151 3.055 8.870 1.00 0.00 C ATOM 390 CG ARG A 27 -3.198 3.541 9.859 1.00 0.00 C ATOM 391 CD ARG A 27 -4.137 2.419 10.276 1.00 0.00 C ATOM 392 NE ARG A 27 -5.179 2.884 11.190 1.00 0.00 N ATOM 393 CZ ARG A 27 -4.937 3.383 12.401 1.00 0.00 C ATOM 394 NH1 ARG A 27 -3.693 3.476 12.853 1.00 0.00 N ATOM 395 NH2 ARG A 27 -5.945 3.788 13.162 1.00 0.00 N ATOM 0 H ARG A 27 -1.204 2.746 6.097 1.00 0.00 H new ATOM 0 HA ARG A 27 -3.476 1.836 7.705 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -1.605 2.222 9.314 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -1.430 3.854 8.698 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.705 3.950 10.741 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -3.774 4.351 9.412 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -4.600 1.986 9.389 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -3.563 1.626 10.755 1.00 0.00 H new ATOM 0 HE ARG A 27 -6.149 2.823 10.882 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -2.915 3.164 12.272 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -3.515 3.859 13.781 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -6.903 3.717 12.820 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -5.762 4.170 14.090 1.00 0.00 H new ATOM 409 N GLY A 28 -4.722 3.775 6.785 1.00 0.00 N ATOM 410 CA GLY A 28 -5.449 4.845 6.128 1.00 0.00 C ATOM 411 C GLY A 28 -6.941 4.781 6.382 1.00 0.00 C ATOM 412 O GLY A 28 -7.383 4.809 7.530 1.00 0.00 O ATOM 0 H GLY A 28 -5.306 3.047 7.196 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -5.067 5.805 6.475 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.265 4.798 5.055 1.00 0.00 H new ATOM 416 N GLU A 29 -7.719 4.704 5.306 1.00 0.00 N ATOM 417 CA GLU A 29 -9.171 4.647 5.420 1.00 0.00 C ATOM 418 C GLU A 29 -9.816 4.132 4.135 1.00 0.00 C ATOM 419 O GLU A 29 -9.474 4.568 3.036 1.00 0.00 O ATOM 420 CB GLU A 29 -9.722 6.034 5.759 1.00 0.00 C ATOM 421 CG GLU A 29 -9.253 7.121 4.812 1.00 0.00 C ATOM 422 CD GLU A 29 -9.777 8.494 5.188 1.00 0.00 C ATOM 423 OE1 GLU A 29 -10.515 8.594 6.192 1.00 0.00 O ATOM 424 OE2 GLU A 29 -9.452 9.468 4.479 1.00 0.00 O ATOM 0 H GLU A 29 -7.369 4.680 4.348 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.416 3.949 6.221 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -10.811 5.997 5.745 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -9.425 6.296 6.775 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.163 7.143 4.803 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -9.576 6.879 3.799 1.00 0.00 H new ATOM 431 N ASN A 30 -10.761 3.209 4.293 1.00 0.00 N ATOM 432 CA ASN A 30 -11.483 2.627 3.164 1.00 0.00 C ATOM 433 C ASN A 30 -10.544 1.902 2.201 1.00 0.00 C ATOM 434 O ASN A 30 -10.712 1.983 0.983 1.00 0.00 O ATOM 435 CB ASN A 30 -12.253 3.715 2.413 1.00 0.00 C ATOM 436 CG ASN A 30 -13.164 4.510 3.324 1.00 0.00 C ATOM 437 OD1 ASN A 30 -14.071 3.962 3.950 1.00 0.00 O ATOM 438 ND2 ASN A 30 -12.925 5.815 3.403 1.00 0.00 N ATOM 0 H ASN A 30 -11.047 2.845 5.202 1.00 0.00 H new ATOM 0 HA ASN A 30 -12.182 1.894 3.566 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.546 4.390 1.931 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -12.845 3.256 1.621 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -13.505 6.404 4.001 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.162 6.227 2.866 1.00 0.00 H new ATOM 445 N LEU A 31 -9.565 1.185 2.745 1.00 0.00 N ATOM 446 CA LEU A 31 -8.620 0.443 1.917 1.00 0.00 C ATOM 447 C LEU A 31 -9.291 -0.752 1.249 1.00 0.00 C ATOM 448 O LEU A 31 -9.053 -1.028 0.074 1.00 0.00 O ATOM 449 CB LEU A 31 -7.417 -0.022 2.743 1.00 0.00 C ATOM 450 CG LEU A 31 -6.324 1.032 2.955 1.00 0.00 C ATOM 451 CD1 LEU A 31 -6.888 2.270 3.635 1.00 0.00 C ATOM 452 CD2 LEU A 31 -5.178 0.452 3.767 1.00 0.00 C ATOM 0 H LEU A 31 -9.406 1.102 3.749 1.00 0.00 H new ATOM 0 HA LEU A 31 -8.267 1.118 1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -7.773 -0.354 3.718 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -6.973 -0.889 2.253 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.942 1.328 1.978 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.093 3.003 3.774 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -7.673 2.700 3.014 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.302 1.995 4.605 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.411 1.213 3.908 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -5.549 0.126 4.739 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.751 -0.400 3.237 1.00 0.00 H new ATOM 464 N GLY A 32 -10.130 -1.461 2.001 1.00 0.00 N ATOM 465 CA GLY A 32 -10.816 -2.617 1.451 1.00 0.00 C ATOM 466 C GLY A 32 -11.708 -3.309 2.465 1.00 0.00 C ATOM 467 O GLY A 32 -11.308 -3.526 3.609 1.00 0.00 O ATOM 0 H GLY A 32 -10.346 -1.256 2.977 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -11.418 -2.305 0.598 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -10.079 -3.328 1.078 1.00 0.00 H new ATOM 471 N THR A 33 -12.920 -3.660 2.039 1.00 0.00 N ATOM 472 CA THR A 33 -13.873 -4.337 2.911 1.00 0.00 C ATOM 473 C THR A 33 -13.338 -5.695 3.351 1.00 0.00 C ATOM 474 O THR A 33 -13.505 -6.095 4.503 1.00 0.00 O ATOM 475 CB THR A 33 -15.235 -4.536 2.219 1.00 0.00 C ATOM 476 OG1 THR A 33 -15.075 -5.335 1.041 1.00 0.00 O ATOM 477 CG2 THR A 33 -15.857 -3.198 1.848 1.00 0.00 C ATOM 0 H THR A 33 -13.264 -3.486 1.095 1.00 0.00 H new ATOM 0 HA THR A 33 -14.011 -3.698 3.783 1.00 0.00 H new ATOM 0 HB THR A 33 -15.899 -5.046 2.917 1.00 0.00 H new ATOM 0 HG1 THR A 33 -15.946 -5.458 0.608 1.00 0.00 H new ATOM 0 HG21 THR A 33 -16.818 -3.366 1.361 1.00 0.00 H new ATOM 0 HG22 THR A 33 -16.006 -2.604 2.749 1.00 0.00 H new ATOM 0 HG23 THR A 33 -15.193 -2.665 1.167 1.00 0.00 H new ATOM 485 N GLY A 34 -12.693 -6.398 2.424 1.00 0.00 N ATOM 486 CA GLY A 34 -12.141 -7.702 2.737 1.00 0.00 C ATOM 487 C GLY A 34 -11.153 -8.187 1.688 1.00 0.00 C ATOM 488 O GLY A 34 -10.675 -7.396 0.874 1.00 0.00 O ATOM 0 H GLY A 34 -12.544 -6.088 1.464 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -11.644 -7.659 3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -12.953 -8.424 2.827 1.00 0.00 H new ATOM 492 N PRO A 35 -10.824 -9.491 1.685 1.00 0.00 N ATOM 493 CA PRO A 35 -9.877 -10.070 0.723 1.00 0.00 C ATOM 494 C PRO A 35 -10.382 -9.990 -0.714 1.00 0.00 C ATOM 495 O PRO A 35 -9.647 -9.594 -1.619 1.00 0.00 O ATOM 496 CB PRO A 35 -9.755 -11.537 1.160 1.00 0.00 C ATOM 497 CG PRO A 35 -10.299 -11.584 2.548 1.00 0.00 C ATOM 498 CD PRO A 35 -11.336 -10.502 2.622 1.00 0.00 C ATOM 0 HA PRO A 35 -8.929 -9.532 0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.317 -12.193 0.495 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -8.717 -11.870 1.133 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -10.736 -12.559 2.763 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.510 -11.420 3.282 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -12.320 -10.865 2.326 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -11.433 -10.104 3.632 1.00 0.00 H new ATOM 506 N THR A 36 -11.638 -10.375 -0.916 1.00 0.00 N ATOM 507 CA THR A 36 -12.241 -10.356 -2.245 1.00 0.00 C ATOM 508 C THR A 36 -12.250 -8.949 -2.831 1.00 0.00 C ATOM 509 O THR A 36 -11.988 -8.761 -4.018 1.00 0.00 O ATOM 510 CB THR A 36 -13.685 -10.893 -2.212 1.00 0.00 C ATOM 511 OG1 THR A 36 -14.486 -10.093 -1.335 1.00 0.00 O ATOM 512 CG2 THR A 36 -13.712 -12.342 -1.750 1.00 0.00 C ATOM 0 H THR A 36 -12.259 -10.704 -0.176 1.00 0.00 H new ATOM 0 HA THR A 36 -11.631 -11.003 -2.876 1.00 0.00 H new ATOM 0 HB THR A 36 -14.091 -10.842 -3.222 1.00 0.00 H new ATOM 0 HG1 THR A 36 -15.402 -10.440 -1.321 1.00 0.00 H new ATOM 0 HG21 THR A 36 -14.741 -12.700 -1.734 1.00 0.00 H new ATOM 0 HG22 THR A 36 -13.126 -12.954 -2.436 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.288 -12.412 -0.748 1.00 0.00 H new ATOM 520 N ASP A 37 -12.556 -7.965 -1.993 1.00 0.00 N ATOM 521 CA ASP A 37 -12.607 -6.573 -2.430 1.00 0.00 C ATOM 522 C ASP A 37 -11.241 -6.092 -2.914 1.00 0.00 C ATOM 523 O ASP A 37 -11.144 -5.381 -3.914 1.00 0.00 O ATOM 524 CB ASP A 37 -13.096 -5.681 -1.288 1.00 0.00 C ATOM 525 CG ASP A 37 -13.202 -4.224 -1.694 1.00 0.00 C ATOM 526 OD1 ASP A 37 -13.965 -3.925 -2.637 1.00 0.00 O ATOM 527 OD2 ASP A 37 -12.524 -3.383 -1.069 1.00 0.00 O ATOM 0 H ASP A 37 -12.773 -8.105 -1.006 1.00 0.00 H new ATOM 0 HA ASP A 37 -13.305 -6.510 -3.265 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -14.071 -6.032 -0.949 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -12.413 -5.771 -0.443 1.00 0.00 H new ATOM 532 N LEU A 38 -10.192 -6.473 -2.192 1.00 0.00 N ATOM 533 CA LEU A 38 -8.831 -6.073 -2.540 1.00 0.00 C ATOM 534 C LEU A 38 -8.290 -6.920 -3.694 1.00 0.00 C ATOM 535 O LEU A 38 -7.301 -7.637 -3.538 1.00 0.00 O ATOM 536 CB LEU A 38 -7.915 -6.204 -1.319 1.00 0.00 C ATOM 537 CG LEU A 38 -6.746 -5.213 -1.257 1.00 0.00 C ATOM 538 CD1 LEU A 38 -5.891 -5.478 -0.028 1.00 0.00 C ATOM 539 CD2 LEU A 38 -5.894 -5.282 -2.516 1.00 0.00 C ATOM 0 H LEU A 38 -10.258 -7.060 -1.360 1.00 0.00 H new ATOM 0 HA LEU A 38 -8.853 -5.032 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -8.519 -6.082 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.511 -7.216 -1.297 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.164 -4.209 -1.188 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.066 -4.766 0.001 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.499 -5.366 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.494 -6.492 -0.073 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.074 -4.568 -2.440 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.489 -6.288 -2.627 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.507 -5.040 -3.384 1.00 0.00 H new ATOM 551 N ILE A 39 -8.939 -6.834 -4.850 1.00 0.00 N ATOM 552 CA ILE A 39 -8.511 -7.591 -6.020 1.00 0.00 C ATOM 553 C ILE A 39 -7.182 -7.071 -6.557 1.00 0.00 C ATOM 554 O ILE A 39 -6.308 -7.850 -6.940 1.00 0.00 O ATOM 555 CB ILE A 39 -9.560 -7.546 -7.148 1.00 0.00 C ATOM 556 CG1 ILE A 39 -9.921 -6.097 -7.489 1.00 0.00 C ATOM 557 CG2 ILE A 39 -10.799 -8.332 -6.747 1.00 0.00 C ATOM 558 CD1 ILE A 39 -10.885 -5.965 -8.649 1.00 0.00 C ATOM 0 H ILE A 39 -9.761 -6.249 -5.002 1.00 0.00 H new ATOM 0 HA ILE A 39 -8.392 -8.624 -5.693 1.00 0.00 H new ATOM 0 HB ILE A 39 -9.134 -8.007 -8.039 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.358 -5.625 -6.609 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -9.008 -5.550 -7.723 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -11.532 -8.292 -7.553 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -10.526 -9.370 -6.556 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -11.229 -7.898 -5.844 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.093 -4.911 -8.831 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -10.443 -6.407 -9.542 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -11.814 -6.482 -8.410 1.00 0.00 H new ATOM 570 N GLY A 40 -7.041 -5.750 -6.590 1.00 0.00 N ATOM 571 CA GLY A 40 -5.818 -5.146 -7.091 1.00 0.00 C ATOM 572 C GLY A 40 -5.017 -4.443 -6.013 1.00 0.00 C ATOM 573 O GLY A 40 -5.583 -3.783 -5.140 1.00 0.00 O ATOM 0 H GLY A 40 -7.751 -5.086 -6.279 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.200 -5.918 -7.549 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.068 -4.431 -7.875 1.00 0.00 H new ATOM 577 N LEU A 41 -3.695 -4.579 -6.080 1.00 0.00 N ATOM 578 CA LEU A 41 -2.806 -3.949 -5.110 1.00 0.00 C ATOM 579 C LEU A 41 -1.494 -3.552 -5.782 1.00 0.00 C ATOM 580 O LEU A 41 -0.917 -4.329 -6.541 1.00 0.00 O ATOM 581 CB LEU A 41 -2.545 -4.906 -3.935 1.00 0.00 C ATOM 582 CG LEU A 41 -1.782 -4.317 -2.737 1.00 0.00 C ATOM 583 CD1 LEU A 41 -0.313 -4.103 -3.070 1.00 0.00 C ATOM 584 CD2 LEU A 41 -2.420 -3.012 -2.282 1.00 0.00 C ATOM 0 H LEU A 41 -3.216 -5.122 -6.798 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.282 -3.048 -4.723 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.504 -5.281 -3.579 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.986 -5.764 -4.309 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.841 -5.036 -1.920 1.00 0.00 H new ATOM 0 HD11 LEU A 41 0.200 -3.686 -2.203 1.00 0.00 H new ATOM 0 HD12 LEU A 41 0.142 -5.057 -3.336 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -0.227 -3.413 -3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.865 -2.612 -1.433 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.400 -2.292 -3.100 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.453 -3.196 -1.986 1.00 0.00 H new ATOM 596 N THR A 42 -1.033 -2.336 -5.502 1.00 0.00 N ATOM 597 CA THR A 42 0.206 -1.832 -6.085 1.00 0.00 C ATOM 598 C THR A 42 0.896 -0.841 -5.160 1.00 0.00 C ATOM 599 O THR A 42 0.247 -0.121 -4.402 1.00 0.00 O ATOM 600 CB THR A 42 -0.035 -1.141 -7.440 1.00 0.00 C ATOM 601 OG1 THR A 42 -1.160 -0.257 -7.348 1.00 0.00 O ATOM 602 CG2 THR A 42 -0.260 -2.156 -8.547 1.00 0.00 C ATOM 0 H THR A 42 -1.500 -1.681 -4.874 1.00 0.00 H new ATOM 0 HA THR A 42 0.844 -2.704 -6.233 1.00 0.00 H new ATOM 0 HB THR A 42 0.857 -0.566 -7.687 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.305 0.179 -8.213 1.00 0.00 H new ATOM 0 HG21 THR A 42 -0.427 -1.635 -9.490 1.00 0.00 H new ATOM 0 HG22 THR A 42 0.617 -2.797 -8.637 1.00 0.00 H new ATOM 0 HG23 THR A 42 -1.132 -2.766 -8.310 1.00 0.00 H new ATOM 610 N ILE A 43 2.219 -0.801 -5.248 1.00 0.00 N ATOM 611 CA ILE A 43 3.013 0.110 -4.440 1.00 0.00 C ATOM 612 C ILE A 43 4.076 0.759 -5.306 1.00 0.00 C ATOM 613 O ILE A 43 4.945 0.075 -5.845 1.00 0.00 O ATOM 614 CB ILE A 43 3.688 -0.616 -3.262 1.00 0.00 C ATOM 615 CG1 ILE A 43 2.629 -1.235 -2.346 1.00 0.00 C ATOM 616 CG2 ILE A 43 4.578 0.346 -2.485 1.00 0.00 C ATOM 617 CD1 ILE A 43 3.210 -2.007 -1.183 1.00 0.00 C ATOM 0 H ILE A 43 2.765 -1.392 -5.874 1.00 0.00 H new ATOM 0 HA ILE A 43 2.343 0.867 -4.032 1.00 0.00 H new ATOM 0 HB ILE A 43 4.314 -1.417 -3.655 1.00 0.00 H new ATOM 0 HG12 ILE A 43 1.986 -0.443 -1.961 1.00 0.00 H new ATOM 0 HG13 ILE A 43 1.997 -1.901 -2.934 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.048 -0.182 -1.656 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.349 0.743 -3.146 1.00 0.00 H new ATOM 0 HG23 ILE A 43 3.975 1.167 -2.097 1.00 0.00 H new ATOM 0 HD11 ILE A 43 2.401 -2.417 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.829 -2.821 -1.560 1.00 0.00 H new ATOM 0 HD13 ILE A 43 3.819 -1.341 -0.572 1.00 0.00 H new ATOM 629 N CYS A 44 3.988 2.078 -5.450 1.00 0.00 N ATOM 630 CA CYS A 44 4.928 2.834 -6.273 1.00 0.00 C ATOM 631 C CYS A 44 4.670 2.585 -7.762 1.00 0.00 C ATOM 632 O CYS A 44 4.825 3.489 -8.582 1.00 0.00 O ATOM 633 CB CYS A 44 6.375 2.481 -5.915 1.00 0.00 C ATOM 634 SG CYS A 44 6.795 2.763 -4.179 1.00 0.00 S ATOM 0 H CYS A 44 3.270 2.649 -5.004 1.00 0.00 H new ATOM 0 HA CYS A 44 4.774 3.894 -6.069 1.00 0.00 H new ATOM 0 HB2 CYS A 44 6.552 1.433 -6.155 1.00 0.00 H new ATOM 0 HB3 CYS A 44 7.047 3.069 -6.540 1.00 0.00 H new ATOM 0 HG CYS A 44 6.696 4.031 -3.909 1.00 0.00 H new ATOM 640 N GLY A 45 4.273 1.358 -8.107 1.00 0.00 N ATOM 641 CA GLY A 45 3.997 1.031 -9.495 1.00 0.00 C ATOM 642 C GLY A 45 3.888 -0.464 -9.743 1.00 0.00 C ATOM 643 O GLY A 45 3.027 -0.909 -10.502 1.00 0.00 O ATOM 0 H GLY A 45 4.139 0.589 -7.450 1.00 0.00 H new ATOM 0 HA2 GLY A 45 3.067 1.513 -9.798 1.00 0.00 H new ATOM 0 HA3 GLY A 45 4.788 1.441 -10.123 1.00 0.00 H new ATOM 647 N HIS A 46 4.769 -1.240 -9.118 1.00 0.00 N ATOM 648 CA HIS A 46 4.779 -2.679 -9.286 1.00 0.00 C ATOM 649 C HIS A 46 3.723 -3.356 -8.417 1.00 0.00 C ATOM 650 O HIS A 46 3.530 -2.993 -7.257 1.00 0.00 O ATOM 651 CB HIS A 46 6.165 -3.223 -8.956 1.00 0.00 C ATOM 652 CG HIS A 46 6.651 -2.874 -7.583 1.00 0.00 C ATOM 653 ND1 HIS A 46 6.925 -1.583 -7.186 1.00 0.00 N ATOM 654 CD2 HIS A 46 6.916 -3.660 -6.512 1.00 0.00 C ATOM 655 CE1 HIS A 46 7.338 -1.590 -5.932 1.00 0.00 C ATOM 656 NE2 HIS A 46 7.340 -2.837 -5.500 1.00 0.00 N ATOM 0 H HIS A 46 5.488 -0.887 -8.487 1.00 0.00 H new ATOM 0 HA HIS A 46 4.537 -2.901 -10.325 1.00 0.00 H new ATOM 0 HB2 HIS A 46 6.151 -4.308 -9.059 1.00 0.00 H new ATOM 0 HB3 HIS A 46 6.876 -2.842 -9.689 1.00 0.00 H new ATOM 0 HD2 HIS A 46 6.813 -4.734 -6.464 1.00 0.00 H new ATOM 0 HE1 HIS A 46 7.626 -0.722 -5.357 1.00 0.00 H new ATOM 0 HE2 HIS A 46 7.613 -3.140 -4.565 1.00 0.00 H new ATOM 665 N ASN A 47 3.048 -4.348 -8.991 1.00 0.00 N ATOM 666 CA ASN A 47 2.013 -5.093 -8.280 1.00 0.00 C ATOM 667 C ASN A 47 2.596 -5.788 -7.053 1.00 0.00 C ATOM 668 O ASN A 47 3.715 -6.301 -7.093 1.00 0.00 O ATOM 669 CB ASN A 47 1.373 -6.127 -9.210 1.00 0.00 C ATOM 670 CG ASN A 47 0.308 -6.955 -8.516 1.00 0.00 C ATOM 671 OD1 ASN A 47 -0.701 -6.428 -8.053 1.00 0.00 O ATOM 672 ND2 ASN A 47 0.531 -8.263 -8.439 1.00 0.00 N ATOM 0 H ASN A 47 3.200 -4.656 -9.951 1.00 0.00 H new ATOM 0 HA ASN A 47 1.249 -4.389 -7.950 1.00 0.00 H new ATOM 0 HB2 ASN A 47 0.931 -5.616 -10.066 1.00 0.00 H new ATOM 0 HB3 ASN A 47 2.147 -6.789 -9.599 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -0.149 -8.870 -7.982 1.00 0.00 H new ATOM 0 HD22 ASN A 47 1.382 -8.659 -8.837 1.00 0.00 H new ATOM 679 N CYS A 48 1.831 -5.806 -5.965 1.00 0.00 N ATOM 680 CA CYS A 48 2.276 -6.442 -4.729 1.00 0.00 C ATOM 681 C CYS A 48 1.110 -7.117 -4.016 1.00 0.00 C ATOM 682 O CYS A 48 1.023 -7.094 -2.788 1.00 0.00 O ATOM 683 CB CYS A 48 2.920 -5.406 -3.804 1.00 0.00 C ATOM 684 SG CYS A 48 4.367 -4.585 -4.508 1.00 0.00 S ATOM 0 H CYS A 48 0.902 -5.388 -5.914 1.00 0.00 H new ATOM 0 HA CYS A 48 3.013 -7.203 -4.985 1.00 0.00 H new ATOM 0 HB2 CYS A 48 2.176 -4.651 -3.548 1.00 0.00 H new ATOM 0 HB3 CYS A 48 3.210 -5.896 -2.874 1.00 0.00 H new ATOM 0 HG CYS A 48 4.021 -3.943 -5.584 1.00 0.00 H new ATOM 690 N LEU A 49 0.218 -7.720 -4.794 1.00 0.00 N ATOM 691 CA LEU A 49 -0.943 -8.408 -4.243 1.00 0.00 C ATOM 692 C LEU A 49 -0.531 -9.703 -3.549 1.00 0.00 C ATOM 693 O LEU A 49 -1.036 -10.031 -2.474 1.00 0.00 O ATOM 694 CB LEU A 49 -1.957 -8.703 -5.354 1.00 0.00 C ATOM 695 CG LEU A 49 -3.229 -9.426 -4.904 1.00 0.00 C ATOM 696 CD1 LEU A 49 -4.049 -8.543 -3.975 1.00 0.00 C ATOM 697 CD2 LEU A 49 -4.054 -9.849 -6.111 1.00 0.00 C ATOM 0 H LEU A 49 0.278 -7.746 -5.812 1.00 0.00 H new ATOM 0 HA LEU A 49 -1.406 -7.757 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.241 -7.761 -5.823 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -1.468 -9.306 -6.119 1.00 0.00 H new ATOM 0 HG LEU A 49 -2.940 -10.321 -4.353 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.949 -9.076 -3.667 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -3.457 -8.292 -3.095 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -4.330 -7.628 -4.497 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.955 -10.362 -5.774 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -4.332 -8.967 -6.688 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -3.466 -10.521 -6.736 1.00 0.00 H new ATOM 709 N LEU A 50 0.382 -10.441 -4.177 1.00 0.00 N ATOM 710 CA LEU A 50 0.858 -11.709 -3.631 1.00 0.00 C ATOM 711 C LEU A 50 1.451 -11.532 -2.233 1.00 0.00 C ATOM 712 O LEU A 50 1.208 -12.346 -1.342 1.00 0.00 O ATOM 713 CB LEU A 50 1.902 -12.350 -4.560 1.00 0.00 C ATOM 714 CG LEU A 50 3.251 -11.627 -4.657 1.00 0.00 C ATOM 715 CD1 LEU A 50 4.279 -12.520 -5.335 1.00 0.00 C ATOM 716 CD2 LEU A 50 3.118 -10.316 -5.419 1.00 0.00 C ATOM 0 H LEU A 50 0.808 -10.181 -5.067 1.00 0.00 H new ATOM 0 HA LEU A 50 -0.006 -12.370 -3.557 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.083 -13.370 -4.221 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.476 -12.417 -5.561 1.00 0.00 H new ATOM 0 HG LEU A 50 3.585 -11.401 -3.644 1.00 0.00 H new ATOM 0 HD11 LEU A 50 5.232 -11.995 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.406 -13.434 -4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 50 3.937 -12.772 -6.339 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.090 -9.826 -5.472 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.757 -10.517 -6.428 1.00 0.00 H new ATOM 0 HD23 LEU A 50 2.411 -9.666 -4.904 1.00 0.00 H new ATOM 728 N THR A 51 2.231 -10.471 -2.047 1.00 0.00 N ATOM 729 CA THR A 51 2.857 -10.201 -0.757 1.00 0.00 C ATOM 730 C THR A 51 1.876 -9.544 0.210 1.00 0.00 C ATOM 731 O THR A 51 1.879 -9.839 1.405 1.00 0.00 O ATOM 732 CB THR A 51 4.096 -9.295 -0.906 1.00 0.00 C ATOM 733 OG1 THR A 51 3.737 -8.078 -1.570 1.00 0.00 O ATOM 734 CG2 THR A 51 5.199 -9.999 -1.685 1.00 0.00 C ATOM 0 H THR A 51 2.444 -9.786 -2.772 1.00 0.00 H new ATOM 0 HA THR A 51 3.168 -11.165 -0.355 1.00 0.00 H new ATOM 0 HB THR A 51 4.471 -9.068 0.092 1.00 0.00 H new ATOM 0 HG1 THR A 51 4.446 -7.827 -2.198 1.00 0.00 H new ATOM 0 HG21 THR A 51 6.060 -9.337 -1.775 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.493 -10.907 -1.159 1.00 0.00 H new ATOM 0 HG23 THR A 51 4.834 -10.257 -2.679 1.00 0.00 H new ATOM 742 N ALA A 52 1.039 -8.654 -0.315 1.00 0.00 N ATOM 743 CA ALA A 52 0.054 -7.956 0.505 1.00 0.00 C ATOM 744 C ALA A 52 -0.951 -8.928 1.112 1.00 0.00 C ATOM 745 O ALA A 52 -1.492 -9.790 0.418 1.00 0.00 O ATOM 746 CB ALA A 52 -0.667 -6.900 -0.318 1.00 0.00 C ATOM 0 H ALA A 52 1.023 -8.399 -1.303 1.00 0.00 H new ATOM 0 HA ALA A 52 0.585 -7.468 1.322 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.398 -6.388 0.307 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.056 -6.177 -0.696 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -1.176 -7.377 -1.156 1.00 0.00 H new ATOM 752 N GLU A 53 -1.202 -8.778 2.409 1.00 0.00 N ATOM 753 CA GLU A 53 -2.147 -9.638 3.110 1.00 0.00 C ATOM 754 C GLU A 53 -3.196 -8.800 3.839 1.00 0.00 C ATOM 755 O GLU A 53 -2.859 -7.894 4.603 1.00 0.00 O ATOM 756 CB GLU A 53 -1.409 -10.537 4.102 1.00 0.00 C ATOM 757 CG GLU A 53 -2.313 -11.520 4.828 1.00 0.00 C ATOM 758 CD GLU A 53 -1.550 -12.416 5.783 1.00 0.00 C ATOM 759 OE1 GLU A 53 -0.910 -11.885 6.714 1.00 0.00 O ATOM 760 OE2 GLU A 53 -1.593 -13.652 5.599 1.00 0.00 O ATOM 0 H GLU A 53 -0.763 -8.068 2.995 1.00 0.00 H new ATOM 0 HA GLU A 53 -2.653 -10.265 2.376 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -0.637 -11.093 3.570 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -0.902 -9.912 4.837 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.073 -10.969 5.382 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.836 -12.136 4.096 1.00 0.00 H new ATOM 767 N TRP A 54 -4.466 -9.104 3.592 1.00 0.00 N ATOM 768 CA TRP A 54 -5.567 -8.376 4.217 1.00 0.00 C ATOM 769 C TRP A 54 -5.616 -8.635 5.721 1.00 0.00 C ATOM 770 O TRP A 54 -5.234 -9.708 6.188 1.00 0.00 O ATOM 771 CB TRP A 54 -6.902 -8.773 3.587 1.00 0.00 C ATOM 772 CG TRP A 54 -8.039 -7.903 4.027 1.00 0.00 C ATOM 773 CD1 TRP A 54 -8.414 -6.707 3.485 1.00 0.00 C ATOM 774 CD2 TRP A 54 -8.934 -8.146 5.120 1.00 0.00 C ATOM 775 NE1 TRP A 54 -9.497 -6.200 4.162 1.00 0.00 N ATOM 776 CE2 TRP A 54 -9.833 -7.064 5.171 1.00 0.00 C ATOM 777 CE3 TRP A 54 -9.064 -9.176 6.053 1.00 0.00 C ATOM 778 CZ2 TRP A 54 -10.848 -6.985 6.121 1.00 0.00 C ATOM 779 CZ3 TRP A 54 -10.071 -9.095 6.996 1.00 0.00 C ATOM 780 CH2 TRP A 54 -10.952 -8.008 7.024 1.00 0.00 C ATOM 0 H TRP A 54 -4.760 -9.851 2.962 1.00 0.00 H new ATOM 0 HA TRP A 54 -5.393 -7.313 4.051 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -6.814 -8.725 2.502 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -7.124 -9.809 3.843 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -7.930 -6.229 2.646 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -9.973 -5.324 3.948 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -8.390 -10.020 6.038 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -11.529 -6.147 6.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -10.180 -9.885 7.724 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -11.729 -7.976 7.773 1.00 0.00 H new ATOM 791 N MET A 55 -6.097 -7.646 6.471 1.00 0.00 N ATOM 792 CA MET A 55 -6.207 -7.766 7.921 1.00 0.00 C ATOM 793 C MET A 55 -7.431 -7.013 8.434 1.00 0.00 C ATOM 794 O MET A 55 -8.148 -7.498 9.309 1.00 0.00 O ATOM 795 CB MET A 55 -4.950 -7.228 8.605 1.00 0.00 C ATOM 796 CG MET A 55 -3.677 -7.953 8.198 1.00 0.00 C ATOM 797 SD MET A 55 -2.209 -7.298 9.011 1.00 0.00 S ATOM 798 CE MET A 55 -2.549 -7.721 10.717 1.00 0.00 C ATOM 0 H MET A 55 -6.417 -6.752 6.097 1.00 0.00 H new ATOM 0 HA MET A 55 -6.316 -8.824 8.161 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.845 -6.168 8.372 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.073 -7.306 9.685 1.00 0.00 H new ATOM 0 HG2 MET A 55 -3.776 -9.012 8.436 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.552 -7.879 7.118 1.00 0.00 H new ATOM 0 HE1 MET A 55 -1.690 -7.460 11.335 1.00 0.00 H new ATOM 0 HE2 MET A 55 -3.424 -7.170 11.061 1.00 0.00 H new ATOM 0 HE3 MET A 55 -2.740 -8.791 10.795 1.00 0.00 H new ATOM 808 N SER A 56 -7.665 -5.828 7.880 1.00 0.00 N ATOM 809 CA SER A 56 -8.804 -5.007 8.277 1.00 0.00 C ATOM 810 C SER A 56 -9.046 -3.896 7.263 1.00 0.00 C ATOM 811 O SER A 56 -8.262 -3.711 6.332 1.00 0.00 O ATOM 812 CB SER A 56 -8.575 -4.404 9.664 1.00 0.00 C ATOM 813 OG SER A 56 -9.708 -3.667 10.092 1.00 0.00 O ATOM 0 H SER A 56 -7.080 -5.414 7.154 1.00 0.00 H new ATOM 0 HA SER A 56 -9.685 -5.648 8.312 1.00 0.00 H new ATOM 0 HB2 SER A 56 -8.363 -5.199 10.379 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.701 -3.753 9.642 1.00 0.00 H new ATOM 0 HG SER A 56 -9.538 -3.293 10.982 1.00 0.00 H new ATOM 819 N ALA A 57 -10.136 -3.159 7.451 1.00 0.00 N ATOM 820 CA ALA A 57 -10.485 -2.065 6.552 1.00 0.00 C ATOM 821 C ALA A 57 -9.602 -0.842 6.790 1.00 0.00 C ATOM 822 O ALA A 57 -9.968 0.274 6.425 1.00 0.00 O ATOM 823 CB ALA A 57 -11.952 -1.697 6.722 1.00 0.00 C ATOM 0 H ALA A 57 -10.793 -3.300 8.218 1.00 0.00 H new ATOM 0 HA ALA A 57 -10.316 -2.403 5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -12.203 -0.879 6.046 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -12.573 -2.562 6.491 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -12.132 -1.386 7.751 1.00 0.00 H new ATOM 829 N SER A 58 -8.435 -1.063 7.392 1.00 0.00 N ATOM 830 CA SER A 58 -7.493 0.018 7.673 1.00 0.00 C ATOM 831 C SER A 58 -6.132 -0.539 8.083 1.00 0.00 C ATOM 832 O SER A 58 -5.445 0.038 8.925 1.00 0.00 O ATOM 833 CB SER A 58 -8.029 0.922 8.789 1.00 0.00 C ATOM 834 OG SER A 58 -9.224 1.576 8.401 1.00 0.00 O ATOM 0 H SER A 58 -8.119 -1.984 7.695 1.00 0.00 H new ATOM 0 HA SER A 58 -7.376 0.602 6.760 1.00 0.00 H new ATOM 0 HB2 SER A 58 -8.213 0.327 9.683 1.00 0.00 H new ATOM 0 HB3 SER A 58 -7.275 1.665 9.050 1.00 0.00 H new ATOM 0 HG SER A 58 -9.386 1.422 7.447 1.00 0.00 H new ATOM 840 N LYS A 59 -5.744 -1.662 7.483 1.00 0.00 N ATOM 841 CA LYS A 59 -4.461 -2.284 7.793 1.00 0.00 C ATOM 842 C LYS A 59 -4.091 -3.323 6.737 1.00 0.00 C ATOM 843 O LYS A 59 -4.883 -4.214 6.430 1.00 0.00 O ATOM 844 CB LYS A 59 -4.517 -2.942 9.172 1.00 0.00 C ATOM 845 CG LYS A 59 -3.169 -3.438 9.670 1.00 0.00 C ATOM 846 CD LYS A 59 -3.297 -4.133 11.015 1.00 0.00 C ATOM 847 CE LYS A 59 -1.938 -4.488 11.593 1.00 0.00 C ATOM 848 NZ LYS A 59 -1.105 -3.277 11.835 1.00 0.00 N ATOM 0 H LYS A 59 -6.297 -2.157 6.783 1.00 0.00 H new ATOM 0 HA LYS A 59 -3.696 -1.507 7.795 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.918 -2.226 9.890 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.212 -3.781 9.136 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -2.741 -4.127 8.942 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -2.480 -2.598 9.757 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -3.831 -3.485 11.710 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -3.893 -5.039 10.902 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.072 -5.030 12.529 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -1.416 -5.157 10.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.169 -3.407 11.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.570 -2.446 11.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.993 -3.131 12.859 1.00 0.00 H new ATOM 862 N ILE A 60 -2.882 -3.205 6.190 1.00 0.00 N ATOM 863 CA ILE A 60 -2.408 -4.138 5.169 1.00 0.00 C ATOM 864 C ILE A 60 -0.888 -4.280 5.215 1.00 0.00 C ATOM 865 O ILE A 60 -0.159 -3.292 5.136 1.00 0.00 O ATOM 866 CB ILE A 60 -2.815 -3.681 3.748 1.00 0.00 C ATOM 867 CG1 ILE A 60 -4.340 -3.589 3.625 1.00 0.00 C ATOM 868 CG2 ILE A 60 -2.251 -4.633 2.703 1.00 0.00 C ATOM 869 CD1 ILE A 60 -4.815 -3.077 2.281 1.00 0.00 C ATOM 0 H ILE A 60 -2.214 -2.474 6.436 1.00 0.00 H new ATOM 0 HA ILE A 60 -2.874 -5.099 5.386 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.399 -2.689 3.573 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.769 -4.575 3.800 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -4.719 -2.933 4.408 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -2.546 -4.298 1.709 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -1.163 -4.647 2.773 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -2.639 -5.636 2.878 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -5.904 -3.040 2.270 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -4.416 -2.077 2.111 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -4.467 -3.745 1.493 1.00 0.00 H new ATOM 881 N VAL A 61 -0.418 -5.519 5.332 1.00 0.00 N ATOM 882 CA VAL A 61 1.013 -5.799 5.373 1.00 0.00 C ATOM 883 C VAL A 61 1.538 -6.113 3.975 1.00 0.00 C ATOM 884 O VAL A 61 0.984 -6.962 3.276 1.00 0.00 O ATOM 885 CB VAL A 61 1.325 -6.982 6.312 1.00 0.00 C ATOM 886 CG1 VAL A 61 2.819 -7.262 6.350 1.00 0.00 C ATOM 887 CG2 VAL A 61 0.795 -6.709 7.711 1.00 0.00 C ATOM 0 H VAL A 61 -1.010 -6.347 5.400 1.00 0.00 H new ATOM 0 HA VAL A 61 1.509 -4.907 5.756 1.00 0.00 H new ATOM 0 HB VAL A 61 0.824 -7.868 5.922 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.015 -8.100 7.019 1.00 0.00 H new ATOM 0 HG12 VAL A 61 3.169 -7.508 5.347 1.00 0.00 H new ATOM 0 HG13 VAL A 61 3.346 -6.379 6.711 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.025 -7.555 8.359 1.00 0.00 H new ATOM 0 HG22 VAL A 61 1.265 -5.809 8.109 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.285 -6.567 7.670 1.00 0.00 H new ATOM 897 N CYS A 62 2.600 -5.423 3.564 1.00 0.00 N ATOM 898 CA CYS A 62 3.179 -5.637 2.240 1.00 0.00 C ATOM 899 C CYS A 62 4.506 -4.899 2.076 1.00 0.00 C ATOM 900 O CYS A 62 4.785 -3.929 2.781 1.00 0.00 O ATOM 901 CB CYS A 62 2.200 -5.186 1.157 1.00 0.00 C ATOM 902 SG CYS A 62 1.666 -3.469 1.321 1.00 0.00 S ATOM 0 H CYS A 62 3.074 -4.715 4.125 1.00 0.00 H new ATOM 0 HA CYS A 62 3.373 -6.705 2.136 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.667 -5.319 0.181 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.323 -5.833 1.182 1.00 0.00 H new ATOM 0 HG CYS A 62 2.576 -2.790 1.955 1.00 0.00 H new ATOM 908 N ARG A 63 5.316 -5.373 1.134 1.00 0.00 N ATOM 909 CA ARG A 63 6.617 -4.772 0.854 1.00 0.00 C ATOM 910 C ARG A 63 6.476 -3.593 -0.108 1.00 0.00 C ATOM 911 O ARG A 63 5.774 -3.682 -1.115 1.00 0.00 O ATOM 912 CB ARG A 63 7.555 -5.821 0.250 1.00 0.00 C ATOM 913 CG ARG A 63 7.041 -6.408 -1.056 1.00 0.00 C ATOM 914 CD ARG A 63 7.945 -7.513 -1.576 1.00 0.00 C ATOM 915 NE ARG A 63 7.475 -8.041 -2.855 1.00 0.00 N ATOM 916 CZ ARG A 63 8.022 -9.083 -3.473 1.00 0.00 C ATOM 917 NH1 ARG A 63 9.037 -9.731 -2.917 1.00 0.00 N ATOM 918 NH2 ARG A 63 7.549 -9.485 -4.645 1.00 0.00 N ATOM 0 H ARG A 63 5.092 -6.177 0.548 1.00 0.00 H new ATOM 0 HA ARG A 63 7.035 -4.406 1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 63 8.531 -5.369 0.077 1.00 0.00 H new ATOM 0 HB3 ARG A 63 7.700 -6.626 0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 63 6.036 -6.802 -0.906 1.00 0.00 H new ATOM 0 HG3 ARG A 63 6.966 -5.619 -1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.959 -7.129 -1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 63 7.991 -8.320 -0.844 1.00 0.00 H new ATOM 0 HE ARG A 63 6.680 -7.583 -3.300 1.00 0.00 H new ATOM 0 HH11 ARG A 63 9.400 -9.430 -2.013 1.00 0.00 H new ATOM 0 HH12 ARG A 63 9.454 -10.530 -3.394 1.00 0.00 H new ATOM 0 HH21 ARG A 63 6.764 -8.994 -5.074 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.970 -10.285 -5.118 1.00 0.00 H new ATOM 932 N VAL A 64 7.151 -2.489 0.206 1.00 0.00 N ATOM 933 CA VAL A 64 7.098 -1.300 -0.638 1.00 0.00 C ATOM 934 C VAL A 64 7.779 -1.539 -1.971 1.00 0.00 C ATOM 935 O VAL A 64 7.458 -0.907 -2.978 1.00 0.00 O ATOM 936 CB VAL A 64 7.738 -0.078 0.049 1.00 0.00 C ATOM 937 CG1 VAL A 64 6.898 0.368 1.230 1.00 0.00 C ATOM 938 CG2 VAL A 64 9.158 -0.390 0.495 1.00 0.00 C ATOM 0 H VAL A 64 7.738 -2.394 1.035 1.00 0.00 H new ATOM 0 HA VAL A 64 6.042 -1.089 -0.808 1.00 0.00 H new ATOM 0 HB VAL A 64 7.779 0.736 -0.675 1.00 0.00 H new ATOM 0 HG11 VAL A 64 7.365 1.232 1.703 1.00 0.00 H new ATOM 0 HG12 VAL A 64 5.900 0.638 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 64 6.824 -0.445 1.952 1.00 0.00 H new ATOM 0 HG21 VAL A 64 9.589 0.487 0.977 1.00 0.00 H new ATOM 0 HG22 VAL A 64 9.144 -1.221 1.200 1.00 0.00 H new ATOM 0 HG23 VAL A 64 9.761 -0.660 -0.372 1.00 0.00 H new ATOM 1052 N GLY A 72 6.319 6.216 -4.206 1.00 0.00 N ATOM 1053 CA GLY A 72 5.962 6.536 -2.840 1.00 0.00 C ATOM 1054 C GLY A 72 4.469 6.483 -2.608 1.00 0.00 C ATOM 1055 O GLY A 72 4.011 5.997 -1.573 1.00 0.00 O ATOM 0 HA2 GLY A 72 6.457 5.838 -2.165 1.00 0.00 H new ATOM 0 HA3 GLY A 72 6.330 7.532 -2.595 1.00 0.00 H new ATOM 1059 N ASP A 73 3.708 6.992 -3.571 1.00 0.00 N ATOM 1060 CA ASP A 73 2.255 7.008 -3.460 1.00 0.00 C ATOM 1061 C ASP A 73 1.698 5.591 -3.359 1.00 0.00 C ATOM 1062 O ASP A 73 1.884 4.775 -4.261 1.00 0.00 O ATOM 1063 CB ASP A 73 1.635 7.723 -4.663 1.00 0.00 C ATOM 1064 CG ASP A 73 2.099 9.162 -4.794 1.00 0.00 C ATOM 1065 OD1 ASP A 73 2.899 9.609 -3.945 1.00 0.00 O ATOM 1066 OD2 ASP A 73 1.662 9.842 -5.746 1.00 0.00 O ATOM 0 H ASP A 73 4.072 7.397 -4.433 1.00 0.00 H new ATOM 0 HA ASP A 73 1.995 7.548 -2.550 1.00 0.00 H new ATOM 0 HB2 ASP A 73 1.889 7.180 -5.573 1.00 0.00 H new ATOM 0 HB3 ASP A 73 0.549 7.703 -4.572 1.00 0.00 H new ATOM 1071 N ILE A 74 1.004 5.311 -2.260 1.00 0.00 N ATOM 1072 CA ILE A 74 0.408 4.000 -2.046 1.00 0.00 C ATOM 1073 C ILE A 74 -0.970 3.930 -2.700 1.00 0.00 C ATOM 1074 O ILE A 74 -1.810 4.804 -2.488 1.00 0.00 O ATOM 1075 CB ILE A 74 0.290 3.680 -0.541 1.00 0.00 C ATOM 1076 CG1 ILE A 74 1.679 3.704 0.107 1.00 0.00 C ATOM 1077 CG2 ILE A 74 -0.383 2.329 -0.332 1.00 0.00 C ATOM 1078 CD1 ILE A 74 1.668 3.454 1.601 1.00 0.00 C ATOM 0 H ILE A 74 0.841 5.976 -1.504 1.00 0.00 H new ATOM 0 HA ILE A 74 1.061 3.258 -2.505 1.00 0.00 H new ATOM 0 HB ILE A 74 -0.330 4.440 -0.065 1.00 0.00 H new ATOM 0 HG12 ILE A 74 2.305 2.951 -0.372 1.00 0.00 H new ATOM 0 HG13 ILE A 74 2.141 4.672 -0.085 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -0.457 2.121 0.735 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -1.382 2.349 -0.768 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.208 1.550 -0.813 1.00 0.00 H new ATOM 0 HD11 ILE A 74 2.688 3.487 1.983 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.071 4.221 2.094 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.237 2.473 1.803 1.00 0.00 H new ATOM 1090 N ILE A 75 -1.191 2.897 -3.505 1.00 0.00 N ATOM 1091 CA ILE A 75 -2.464 2.736 -4.199 1.00 0.00 C ATOM 1092 C ILE A 75 -3.063 1.355 -3.954 1.00 0.00 C ATOM 1093 O ILE A 75 -2.347 0.355 -3.902 1.00 0.00 O ATOM 1094 CB ILE A 75 -2.300 2.946 -5.720 1.00 0.00 C ATOM 1095 CG1 ILE A 75 -1.569 4.262 -6.007 1.00 0.00 C ATOM 1096 CG2 ILE A 75 -3.658 2.926 -6.409 1.00 0.00 C ATOM 1097 CD1 ILE A 75 -2.267 5.489 -5.460 1.00 0.00 C ATOM 0 H ILE A 75 -0.509 2.162 -3.693 1.00 0.00 H new ATOM 0 HA ILE A 75 -3.138 3.494 -3.798 1.00 0.00 H new ATOM 0 HB ILE A 75 -1.700 2.128 -6.118 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -0.566 4.208 -5.583 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -1.453 4.373 -7.085 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -3.525 3.075 -7.480 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.141 1.964 -6.234 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -4.282 3.724 -6.006 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -1.686 6.378 -5.705 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -3.260 5.571 -5.903 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -2.359 5.403 -4.377 1.00 0.00 H new ATOM 1109 N VAL A 76 -4.385 1.309 -3.811 1.00 0.00 N ATOM 1110 CA VAL A 76 -5.093 0.054 -3.579 1.00 0.00 C ATOM 1111 C VAL A 76 -6.405 0.027 -4.357 1.00 0.00 C ATOM 1112 O VAL A 76 -7.253 0.905 -4.190 1.00 0.00 O ATOM 1113 CB VAL A 76 -5.396 -0.160 -2.082 1.00 0.00 C ATOM 1114 CG1 VAL A 76 -6.125 -1.478 -1.865 1.00 0.00 C ATOM 1115 CG2 VAL A 76 -4.118 -0.108 -1.260 1.00 0.00 C ATOM 0 H VAL A 76 -4.989 2.130 -3.852 1.00 0.00 H new ATOM 0 HA VAL A 76 -4.441 -0.749 -3.923 1.00 0.00 H new ATOM 0 HB VAL A 76 -6.046 0.648 -1.747 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -6.329 -1.610 -0.803 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -7.065 -1.469 -2.417 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -5.504 -2.300 -2.220 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -4.356 -0.261 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -3.437 -0.890 -1.596 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -3.643 0.865 -1.387 1.00 0.00 H new ATOM 1125 N THR A 77 -6.565 -0.981 -5.207 1.00 0.00 N ATOM 1126 CA THR A 77 -7.773 -1.117 -6.010 1.00 0.00 C ATOM 1127 C THR A 77 -8.858 -1.869 -5.247 1.00 0.00 C ATOM 1128 O THR A 77 -8.576 -2.823 -4.522 1.00 0.00 O ATOM 1129 CB THR A 77 -7.490 -1.843 -7.339 1.00 0.00 C ATOM 1130 OG1 THR A 77 -6.439 -1.176 -8.048 1.00 0.00 O ATOM 1131 CG2 THR A 77 -8.741 -1.884 -8.208 1.00 0.00 C ATOM 0 H THR A 77 -5.873 -1.715 -5.357 1.00 0.00 H new ATOM 0 HA THR A 77 -8.122 -0.108 -6.229 1.00 0.00 H new ATOM 0 HB THR A 77 -7.186 -2.865 -7.112 1.00 0.00 H new ATOM 0 HG1 THR A 77 -6.264 -1.645 -8.891 1.00 0.00 H new ATOM 0 HG21 THR A 77 -8.519 -2.401 -9.142 1.00 0.00 H new ATOM 0 HG22 THR A 77 -9.534 -2.414 -7.680 1.00 0.00 H new ATOM 0 HG23 THR A 77 -9.067 -0.867 -8.425 1.00 0.00 H new ATOM 1139 N THR A 78 -10.102 -1.432 -5.419 1.00 0.00 N ATOM 1140 CA THR A 78 -11.233 -2.061 -4.752 1.00 0.00 C ATOM 1141 C THR A 78 -12.399 -2.239 -5.716 1.00 0.00 C ATOM 1142 O THR A 78 -12.722 -1.335 -6.488 1.00 0.00 O ATOM 1143 CB THR A 78 -11.703 -1.235 -3.540 1.00 0.00 C ATOM 1144 OG1 THR A 78 -12.066 0.086 -3.958 1.00 0.00 O ATOM 1145 CG2 THR A 78 -10.612 -1.156 -2.484 1.00 0.00 C ATOM 0 H THR A 78 -10.351 -0.643 -6.016 1.00 0.00 H new ATOM 0 HA THR A 78 -10.896 -3.037 -4.403 1.00 0.00 H new ATOM 0 HB THR A 78 -12.572 -1.730 -3.106 1.00 0.00 H new ATOM 0 HG1 THR A 78 -12.365 0.604 -3.182 1.00 0.00 H new ATOM 0 HG21 THR A 78 -10.967 -0.568 -1.638 1.00 0.00 H new ATOM 0 HG22 THR A 78 -10.359 -2.161 -2.147 1.00 0.00 H new ATOM 0 HG23 THR A 78 -9.727 -0.682 -2.910 1.00 0.00 H new ATOM 1153 N LYS A 79 -13.021 -3.413 -5.672 1.00 0.00 N ATOM 1154 CA LYS A 79 -14.146 -3.718 -6.547 1.00 0.00 C ATOM 1155 C LYS A 79 -15.266 -2.698 -6.369 1.00 0.00 C ATOM 1156 O LYS A 79 -15.802 -2.176 -7.346 1.00 0.00 O ATOM 1157 CB LYS A 79 -14.662 -5.129 -6.268 1.00 0.00 C ATOM 1158 CG LYS A 79 -13.580 -6.193 -6.376 1.00 0.00 C ATOM 1159 CD LYS A 79 -14.141 -7.599 -6.229 1.00 0.00 C ATOM 1160 CE LYS A 79 -14.837 -7.797 -4.891 1.00 0.00 C ATOM 1161 NZ LYS A 79 -15.397 -9.171 -4.757 1.00 0.00 N ATOM 0 H LYS A 79 -12.764 -4.170 -5.038 1.00 0.00 H new ATOM 0 HA LYS A 79 -13.801 -3.666 -7.580 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -15.095 -5.160 -5.268 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -15.463 -5.362 -6.970 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -13.079 -6.103 -7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -12.826 -6.022 -5.607 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -14.846 -7.794 -7.037 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -13.333 -8.324 -6.328 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -14.130 -7.612 -4.082 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -15.639 -7.066 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -15.633 -9.354 -3.761 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -16.256 -9.254 -5.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -14.693 -9.866 -5.079 1.00 0.00 H new ATOM 1175 N SER A 80 -15.607 -2.407 -5.117 1.00 0.00 N ATOM 1176 CA SER A 80 -16.654 -1.438 -4.820 1.00 0.00 C ATOM 1177 C SER A 80 -16.200 -0.035 -5.207 1.00 0.00 C ATOM 1178 O SER A 80 -16.880 0.670 -5.953 1.00 0.00 O ATOM 1179 CB SER A 80 -17.014 -1.479 -3.334 1.00 0.00 C ATOM 1180 OG SER A 80 -17.459 -2.770 -2.951 1.00 0.00 O ATOM 0 H SER A 80 -15.174 -2.828 -4.295 1.00 0.00 H new ATOM 0 HA SER A 80 -17.539 -1.697 -5.402 1.00 0.00 H new ATOM 0 HB2 SER A 80 -16.145 -1.199 -2.738 1.00 0.00 H new ATOM 0 HB3 SER A 80 -17.793 -0.746 -3.125 1.00 0.00 H new ATOM 0 HG SER A 80 -17.681 -2.770 -1.996 1.00 0.00 H new ATOM 1186 N GLY A 81 -15.034 0.357 -4.700 1.00 0.00 N ATOM 1187 CA GLY A 81 -14.487 1.666 -5.005 1.00 0.00 C ATOM 1188 C GLY A 81 -13.774 1.691 -6.342 1.00 0.00 C ATOM 1189 O GLY A 81 -14.359 1.356 -7.373 1.00 0.00 O ATOM 0 H GLY A 81 -14.457 -0.212 -4.081 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -15.291 2.402 -5.010 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -13.792 1.960 -4.219 1.00 0.00 H new ATOM 1193 N GLY A 82 -12.505 2.084 -6.322 1.00 0.00 N ATOM 1194 CA GLY A 82 -11.722 2.140 -7.543 1.00 0.00 C ATOM 1195 C GLY A 82 -10.236 2.270 -7.269 1.00 0.00 C ATOM 1196 O GLY A 82 -9.715 1.646 -6.344 1.00 0.00 O ATOM 0 H GLY A 82 -12.003 2.366 -5.480 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -11.903 1.240 -8.130 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -12.053 2.986 -8.146 1.00 0.00 H new ATOM 1200 N LYS A 83 -9.550 3.076 -8.074 1.00 0.00 N ATOM 1201 CA LYS A 83 -8.115 3.276 -7.909 1.00 0.00 C ATOM 1202 C LYS A 83 -7.806 3.926 -6.564 1.00 0.00 C ATOM 1203 O LYS A 83 -8.435 4.913 -6.180 1.00 0.00 O ATOM 1204 CB LYS A 83 -7.560 4.143 -9.040 1.00 0.00 C ATOM 1205 CG LYS A 83 -6.041 4.151 -9.113 1.00 0.00 C ATOM 1206 CD LYS A 83 -5.497 2.800 -9.554 1.00 0.00 C ATOM 1207 CE LYS A 83 -3.995 2.852 -9.787 1.00 0.00 C ATOM 1208 NZ LYS A 83 -3.454 1.538 -10.230 1.00 0.00 N ATOM 0 H LYS A 83 -9.964 3.600 -8.845 1.00 0.00 H new ATOM 0 HA LYS A 83 -7.636 2.297 -7.942 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -7.959 3.786 -9.989 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -7.914 5.166 -8.910 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.713 4.922 -9.811 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.630 4.409 -8.137 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.723 2.051 -8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.998 2.487 -10.470 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -3.771 3.609 -10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.496 3.158 -8.868 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.428 1.617 -10.377 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -3.645 0.821 -9.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -3.911 1.257 -11.121 1.00 0.00 H new ATOM 1222 N GLY A 84 -6.834 3.365 -5.855 1.00 0.00 N ATOM 1223 CA GLY A 84 -6.451 3.895 -4.559 1.00 0.00 C ATOM 1224 C GLY A 84 -5.791 5.259 -4.649 1.00 0.00 C ATOM 1225 O GLY A 84 -5.285 5.647 -5.703 1.00 0.00 O ATOM 0 H GLY A 84 -6.302 2.549 -6.156 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -7.335 3.966 -3.926 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -5.767 3.198 -4.075 1.00 0.00 H new ATOM 1229 N THR A 85 -5.799 5.983 -3.533 1.00 0.00 N ATOM 1230 CA THR A 85 -5.200 7.312 -3.465 1.00 0.00 C ATOM 1231 C THR A 85 -4.542 7.529 -2.106 1.00 0.00 C ATOM 1232 O THR A 85 -5.026 7.028 -1.091 1.00 0.00 O ATOM 1233 CB THR A 85 -6.243 8.421 -3.699 1.00 0.00 C ATOM 1234 OG1 THR A 85 -7.294 8.319 -2.730 1.00 0.00 O ATOM 1235 CG2 THR A 85 -6.829 8.336 -5.101 1.00 0.00 C ATOM 0 H THR A 85 -6.217 5.668 -2.658 1.00 0.00 H new ATOM 0 HA THR A 85 -4.451 7.367 -4.255 1.00 0.00 H new ATOM 0 HB THR A 85 -5.742 9.383 -3.593 1.00 0.00 H new ATOM 0 HG1 THR A 85 -7.201 7.479 -2.233 1.00 0.00 H new ATOM 0 HG21 THR A 85 -7.562 9.131 -5.238 1.00 0.00 H new ATOM 0 HG22 THR A 85 -6.032 8.447 -5.836 1.00 0.00 H new ATOM 0 HG23 THR A 85 -7.313 7.369 -5.235 1.00 0.00 H new ATOM 1243 N SER A 86 -3.437 8.268 -2.088 1.00 0.00 N ATOM 1244 CA SER A 86 -2.724 8.528 -0.841 1.00 0.00 C ATOM 1245 C SER A 86 -1.871 9.786 -0.932 1.00 0.00 C ATOM 1246 O SER A 86 -1.108 9.968 -1.880 1.00 0.00 O ATOM 1247 CB SER A 86 -1.834 7.337 -0.482 1.00 0.00 C ATOM 1248 OG SER A 86 -0.921 7.053 -1.527 1.00 0.00 O ATOM 0 H SER A 86 -3.018 8.694 -2.915 1.00 0.00 H new ATOM 0 HA SER A 86 -3.473 8.678 -0.063 1.00 0.00 H new ATOM 0 HB2 SER A 86 -1.287 7.551 0.436 1.00 0.00 H new ATOM 0 HB3 SER A 86 -2.453 6.461 -0.287 1.00 0.00 H new ATOM 0 HG SER A 86 -1.308 6.380 -2.125 1.00 0.00 H new ATOM 1254 N THR A 87 -2.000 10.642 0.075 1.00 0.00 N ATOM 1255 CA THR A 87 -1.238 11.881 0.136 1.00 0.00 C ATOM 1256 C THR A 87 0.183 11.612 0.621 1.00 0.00 C ATOM 1257 O THR A 87 1.130 12.290 0.221 1.00 0.00 O ATOM 1258 CB THR A 87 -1.903 12.905 1.075 1.00 0.00 C ATOM 1259 OG1 THR A 87 -1.929 12.396 2.414 1.00 0.00 O ATOM 1260 CG2 THR A 87 -3.321 13.216 0.620 1.00 0.00 C ATOM 0 H THR A 87 -2.630 10.498 0.864 1.00 0.00 H new ATOM 0 HA THR A 87 -1.211 12.294 -0.872 1.00 0.00 H new ATOM 0 HB THR A 87 -1.318 13.825 1.046 1.00 0.00 H new ATOM 0 HG1 THR A 87 -2.352 13.053 3.006 1.00 0.00 H new ATOM 0 HG21 THR A 87 -3.770 13.941 1.299 1.00 0.00 H new ATOM 0 HG22 THR A 87 -3.297 13.629 -0.389 1.00 0.00 H new ATOM 0 HG23 THR A 87 -3.913 12.301 0.624 1.00 0.00 H new ATOM 1268 N VAL A 88 0.316 10.619 1.498 1.00 0.00 N ATOM 1269 CA VAL A 88 1.610 10.250 2.059 1.00 0.00 C ATOM 1270 C VAL A 88 2.367 9.301 1.135 1.00 0.00 C ATOM 1271 O VAL A 88 1.772 8.638 0.286 1.00 0.00 O ATOM 1272 CB VAL A 88 1.454 9.590 3.442 1.00 0.00 C ATOM 1273 CG1 VAL A 88 0.757 10.537 4.408 1.00 0.00 C ATOM 1274 CG2 VAL A 88 0.693 8.277 3.330 1.00 0.00 C ATOM 0 H VAL A 88 -0.463 10.054 1.836 1.00 0.00 H new ATOM 0 HA VAL A 88 2.180 11.173 2.166 1.00 0.00 H new ATOM 0 HB VAL A 88 2.448 9.372 3.833 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.655 10.055 5.380 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.347 11.447 4.515 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.231 10.788 4.022 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.594 7.828 4.318 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -0.298 8.465 2.916 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.237 7.596 2.675 1.00 0.00 H new ATOM 1284 N SER A 89 3.686 9.247 1.305 1.00 0.00 N ATOM 1285 CA SER A 89 4.528 8.383 0.484 1.00 0.00 C ATOM 1286 C SER A 89 5.744 7.899 1.266 1.00 0.00 C ATOM 1287 O SER A 89 6.347 8.655 2.027 1.00 0.00 O ATOM 1288 CB SER A 89 4.984 9.127 -0.770 1.00 0.00 C ATOM 1289 OG SER A 89 3.875 9.617 -1.504 1.00 0.00 O ATOM 0 H SER A 89 4.193 9.791 2.003 1.00 0.00 H new ATOM 0 HA SER A 89 3.936 7.515 0.194 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.633 9.956 -0.489 1.00 0.00 H new ATOM 0 HB3 SER A 89 5.574 8.460 -1.398 1.00 0.00 H new ATOM 0 HG SER A 89 3.955 9.341 -2.441 1.00 0.00 H new ATOM 1295 N PHE A 90 6.097 6.633 1.071 1.00 0.00 N ATOM 1296 CA PHE A 90 7.240 6.041 1.757 1.00 0.00 C ATOM 1297 C PHE A 90 8.536 6.316 1.000 1.00 0.00 C ATOM 1298 O PHE A 90 8.605 6.146 -0.217 1.00 0.00 O ATOM 1299 CB PHE A 90 7.043 4.532 1.907 1.00 0.00 C ATOM 1300 CG PHE A 90 8.195 3.840 2.578 1.00 0.00 C ATOM 1301 CD1 PHE A 90 8.491 4.088 3.909 1.00 0.00 C ATOM 1302 CD2 PHE A 90 8.987 2.948 1.875 1.00 0.00 C ATOM 1303 CE1 PHE A 90 9.552 3.456 4.526 1.00 0.00 C ATOM 1304 CE2 PHE A 90 10.050 2.313 2.487 1.00 0.00 C ATOM 1305 CZ PHE A 90 10.333 2.567 3.814 1.00 0.00 C ATOM 0 H PHE A 90 5.607 5.996 0.443 1.00 0.00 H new ATOM 0 HA PHE A 90 7.312 6.497 2.745 1.00 0.00 H new ATOM 0 HB2 PHE A 90 6.135 4.348 2.481 1.00 0.00 H new ATOM 0 HB3 PHE A 90 6.891 4.094 0.921 1.00 0.00 H new ATOM 0 HD1 PHE A 90 7.885 4.784 4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.771 2.746 0.836 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.771 3.657 5.564 1.00 0.00 H new ATOM 0 HE2 PHE A 90 10.659 1.618 1.928 1.00 0.00 H new ATOM 0 HZ PHE A 90 11.164 2.071 4.295 1.00 0.00 H new ATOM 1315 N LYS A 91 9.564 6.737 1.731 1.00 0.00 N ATOM 1316 CA LYS A 91 10.861 7.029 1.129 1.00 0.00 C ATOM 1317 C LYS A 91 11.648 5.738 0.914 1.00 0.00 C ATOM 1318 O LYS A 91 11.931 5.011 1.866 1.00 0.00 O ATOM 1319 CB LYS A 91 11.660 7.977 2.035 1.00 0.00 C ATOM 1320 CG LYS A 91 12.732 8.790 1.315 1.00 0.00 C ATOM 1321 CD LYS A 91 13.724 7.913 0.566 1.00 0.00 C ATOM 1322 CE LYS A 91 14.766 8.748 -0.162 1.00 0.00 C ATOM 1323 NZ LYS A 91 15.735 7.900 -0.908 1.00 0.00 N ATOM 0 H LYS A 91 9.524 6.883 2.740 1.00 0.00 H new ATOM 0 HA LYS A 91 10.696 7.508 0.164 1.00 0.00 H new ATOM 0 HB2 LYS A 91 10.967 8.664 2.521 1.00 0.00 H new ATOM 0 HB3 LYS A 91 12.134 7.392 2.823 1.00 0.00 H new ATOM 0 HG2 LYS A 91 12.255 9.474 0.613 1.00 0.00 H new ATOM 0 HG3 LYS A 91 13.268 9.401 2.041 1.00 0.00 H new ATOM 0 HD2 LYS A 91 14.219 7.241 1.267 1.00 0.00 H new ATOM 0 HD3 LYS A 91 13.191 7.289 -0.151 1.00 0.00 H new ATOM 0 HE2 LYS A 91 14.268 9.426 -0.855 1.00 0.00 H new ATOM 0 HE3 LYS A 91 15.303 9.366 0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 16.579 7.739 -0.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 15.293 6.987 -1.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 16.012 8.381 -1.788 1.00 0.00 H new ATOM 1337 N LEU A 92 12.016 5.466 -0.334 1.00 0.00 N ATOM 1338 CA LEU A 92 12.789 4.270 -0.651 1.00 0.00 C ATOM 1339 C LEU A 92 14.277 4.534 -0.443 1.00 0.00 C ATOM 1340 O LEU A 92 14.898 5.275 -1.205 1.00 0.00 O ATOM 1341 CB LEU A 92 12.532 3.825 -2.094 1.00 0.00 C ATOM 1342 CG LEU A 92 11.094 3.401 -2.406 1.00 0.00 C ATOM 1343 CD1 LEU A 92 10.960 3.016 -3.873 1.00 0.00 C ATOM 1344 CD2 LEU A 92 10.669 2.246 -1.510 1.00 0.00 C ATOM 0 H LEU A 92 11.793 6.053 -1.138 1.00 0.00 H new ATOM 0 HA LEU A 92 12.473 3.470 0.019 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.805 4.642 -2.762 1.00 0.00 H new ATOM 0 HB3 LEU A 92 13.196 2.991 -2.323 1.00 0.00 H new ATOM 0 HG LEU A 92 10.436 4.247 -2.209 1.00 0.00 H new ATOM 0 HD11 LEU A 92 9.932 2.717 -4.078 1.00 0.00 H new ATOM 0 HD12 LEU A 92 11.222 3.869 -4.499 1.00 0.00 H new ATOM 0 HD13 LEU A 92 11.630 2.185 -4.094 1.00 0.00 H new ATOM 0 HD21 LEU A 92 9.644 1.959 -1.747 1.00 0.00 H new ATOM 0 HD22 LEU A 92 11.331 1.396 -1.674 1.00 0.00 H new ATOM 0 HD23 LEU A 92 10.727 2.555 -0.466 1.00 0.00 H new ATOM 1356 N LEU A 93 14.839 3.928 0.597 1.00 0.00 N ATOM 1357 CA LEU A 93 16.251 4.106 0.909 1.00 0.00 C ATOM 1358 C LEU A 93 17.125 3.163 0.086 1.00 0.00 C ATOM 1359 O LEU A 93 16.793 1.992 -0.098 1.00 0.00 O ATOM 1360 CB LEU A 93 16.493 3.893 2.405 1.00 0.00 C ATOM 1361 CG LEU A 93 15.652 4.781 3.330 1.00 0.00 C ATOM 1362 CD1 LEU A 93 16.070 4.589 4.779 1.00 0.00 C ATOM 1363 CD2 LEU A 93 15.771 6.246 2.928 1.00 0.00 C ATOM 0 H LEU A 93 14.339 3.311 1.237 1.00 0.00 H new ATOM 0 HA LEU A 93 16.528 5.127 0.648 1.00 0.00 H new ATOM 0 HB2 LEU A 93 16.291 2.849 2.646 1.00 0.00 H new ATOM 0 HB3 LEU A 93 17.548 4.070 2.616 1.00 0.00 H new ATOM 0 HG LEU A 93 14.608 4.484 3.230 1.00 0.00 H new ATOM 0 HD11 LEU A 93 15.462 5.227 5.421 1.00 0.00 H new ATOM 0 HD12 LEU A 93 15.927 3.547 5.064 1.00 0.00 H new ATOM 0 HD13 LEU A 93 17.121 4.855 4.893 1.00 0.00 H new ATOM 0 HD21 LEU A 93 15.166 6.857 3.598 1.00 0.00 H new ATOM 0 HD22 LEU A 93 16.813 6.558 2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 93 15.419 6.372 1.904 1.00 0.00 H new ATOM 1375 N LYS A 94 18.240 3.692 -0.409 1.00 0.00 N ATOM 1376 CA LYS A 94 19.173 2.916 -1.220 1.00 0.00 C ATOM 1377 C LYS A 94 19.767 1.755 -0.424 1.00 0.00 C ATOM 1378 O LYS A 94 20.064 1.894 0.762 1.00 0.00 O ATOM 1379 CB LYS A 94 20.295 3.816 -1.742 1.00 0.00 C ATOM 1380 CG LYS A 94 21.090 4.499 -0.641 1.00 0.00 C ATOM 1381 CD LYS A 94 22.208 5.358 -1.208 1.00 0.00 C ATOM 1382 CE LYS A 94 23.001 6.040 -0.105 1.00 0.00 C ATOM 1383 NZ LYS A 94 24.099 6.885 -0.650 1.00 0.00 N ATOM 0 H LYS A 94 18.521 4.661 -0.261 1.00 0.00 H new ATOM 0 HA LYS A 94 18.619 2.503 -2.063 1.00 0.00 H new ATOM 0 HB2 LYS A 94 20.974 3.220 -2.352 1.00 0.00 H new ATOM 0 HB3 LYS A 94 19.866 4.577 -2.394 1.00 0.00 H new ATOM 0 HG2 LYS A 94 20.423 5.118 -0.041 1.00 0.00 H new ATOM 0 HG3 LYS A 94 21.511 3.746 0.025 1.00 0.00 H new ATOM 0 HD2 LYS A 94 22.875 4.739 -1.808 1.00 0.00 H new ATOM 0 HD3 LYS A 94 21.787 6.111 -1.874 1.00 0.00 H new ATOM 0 HE2 LYS A 94 22.332 6.657 0.495 1.00 0.00 H new ATOM 0 HE3 LYS A 94 23.420 5.285 0.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 24.615 7.332 0.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 24.752 6.292 -1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 23.698 7.622 -1.265 1.00 0.00 H new ATOM 1397 N PRO A 95 19.951 0.589 -1.074 1.00 0.00 N ATOM 1398 CA PRO A 95 20.513 -0.601 -0.425 1.00 0.00 C ATOM 1399 C PRO A 95 21.842 -0.317 0.263 1.00 0.00 C ATOM 1400 O PRO A 95 22.726 0.319 -0.311 1.00 0.00 O ATOM 1401 CB PRO A 95 20.730 -1.571 -1.586 1.00 0.00 C ATOM 1402 CG PRO A 95 19.737 -1.156 -2.614 1.00 0.00 C ATOM 1403 CD PRO A 95 19.624 0.338 -2.492 1.00 0.00 C ATOM 0 HA PRO A 95 19.855 -0.979 0.357 1.00 0.00 H new ATOM 0 HB2 PRO A 95 21.748 -1.508 -1.970 1.00 0.00 H new ATOM 0 HB3 PRO A 95 20.570 -2.603 -1.275 1.00 0.00 H new ATOM 0 HG2 PRO A 95 20.065 -1.443 -3.613 1.00 0.00 H new ATOM 0 HG3 PRO A 95 18.774 -1.637 -2.444 1.00 0.00 H new ATOM 0 HD2 PRO A 95 20.316 0.850 -3.161 1.00 0.00 H new ATOM 0 HD3 PRO A 95 18.622 0.687 -2.742 1.00 0.00 H new