USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 669 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 20 THR OG1 : rot -79:sc= 0.147 USER MOD Set 1.2: B 204 SER OG : rot 44:sc= 1.06 USER MOD Set 2.1: A 4 ASN :FLIP amide:sc= -0.3 F(o=-6!,f=-0.3) USER MOD Set 2.2: A 6 ASN :FLIP amide:sc= 0 F(o=-1.3,f=-0.3) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 THR OG1 : rot 33:sc= 0.514 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc=-0.00312 X(o=-0.0031,f=-0.37) USER MOD Single : A 8 GLN : amide:sc= -3.64 K(o=-3.6,f=-5.8!) USER MOD Single : A 14 LYS NZ :NH3+ 178:sc= -0.445 (180deg=-0.449) USER MOD Single : A 16 ASN : amide:sc= -0.839 X(o=-0.84,f=-0.75) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 GLN : amide:sc= -0.454 K(o=-0.45,f=-2.6) USER MOD Single : A 21 ASN : amide:sc= -0.387 K(o=-0.39,f=-3!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= -0.0722 (180deg=-0.365) USER MOD Single : A 34 HIS : no HD1:sc= 0 X(o=0,f=-0.0098) USER MOD Single : A 36 THR OG1 : rot -42:sc= 0.245 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.343 X(o=-0.34,f=-0.014) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 127:sc= 1.16 USER MOD Single : A 58 ASN : amide:sc= -0.695 X(o=-0.69,f=-0.76) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0684) USER MOD Single : B 185 THR OG1 : rot 180:sc= 0 USER MOD Single : B 196 HIS : no HD1:sc= -0.219 K(o=-0.22,f=-0.75) USER MOD Single : B 197 THR OG1 : rot 68:sc= 0.241 USER MOD Single : B 198 LYS NZ :NH3+ -171:sc= -0.529 (180deg=-0.555) USER MOD Single : B 199 SER OG : rot 180:sc= 0 USER MOD Single : B 201 TYR OH : rot 180:sc= 0 USER MOD Single : B 202 THR OG1 : rot -88:sc= 0.0109 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -26.577 -12.310 9.115 1.00 0.00 N ATOM 2 CA MET A 1 -25.899 -11.013 9.366 1.00 0.00 C ATOM 3 C MET A 1 -24.672 -10.859 8.474 1.00 0.00 C ATOM 4 O MET A 1 -23.861 -11.777 8.354 1.00 0.00 O ATOM 5 CB MET A 1 -25.485 -10.911 10.837 1.00 0.00 C ATOM 6 CG MET A 1 -24.878 -9.567 11.206 1.00 0.00 C ATOM 7 SD MET A 1 -24.322 -9.503 12.919 1.00 0.00 S ATOM 8 CE MET A 1 -23.689 -7.830 13.007 1.00 0.00 C ATOM 0 H1 MET A 1 -27.409 -12.392 9.734 1.00 0.00 H new ATOM 0 H2 MET A 1 -26.879 -12.357 8.121 1.00 0.00 H new ATOM 0 H3 MET A 1 -25.919 -13.090 9.315 1.00 0.00 H new ATOM 0 HA MET A 1 -26.601 -10.212 9.132 1.00 0.00 H new ATOM 0 HB2 MET A 1 -26.358 -11.091 11.465 1.00 0.00 H new ATOM 0 HB3 MET A 1 -24.765 -11.699 11.059 1.00 0.00 H new ATOM 0 HG2 MET A 1 -24.035 -9.360 10.547 1.00 0.00 H new ATOM 0 HG3 MET A 1 -25.615 -8.782 11.038 1.00 0.00 H new ATOM 0 HE1 MET A 1 -23.307 -7.638 14.010 1.00 0.00 H new ATOM 0 HE2 MET A 1 -22.884 -7.707 12.283 1.00 0.00 H new ATOM 0 HE3 MET A 1 -24.490 -7.126 12.782 1.00 0.00 H new ATOM 20 N THR A 2 -24.544 -9.693 7.851 1.00 0.00 N ATOM 21 CA THR A 2 -23.414 -9.417 6.971 1.00 0.00 C ATOM 22 C THR A 2 -22.100 -9.442 7.745 1.00 0.00 C ATOM 23 O THR A 2 -21.865 -8.603 8.616 1.00 0.00 O ATOM 24 CB THR A 2 -23.564 -8.052 6.274 1.00 0.00 C ATOM 25 OG1 THR A 2 -23.729 -7.018 7.251 1.00 0.00 O ATOM 26 CG2 THR A 2 -24.754 -8.056 5.325 1.00 0.00 C ATOM 0 H THR A 2 -25.208 -8.924 7.939 1.00 0.00 H new ATOM 0 HA THR A 2 -23.402 -10.201 6.213 1.00 0.00 H new ATOM 0 HB THR A 2 -22.660 -7.863 5.696 1.00 0.00 H new ATOM 0 HG1 THR A 2 -23.225 -7.248 8.059 1.00 0.00 H new ATOM 0 HG21 THR A 2 -24.840 -7.081 4.845 1.00 0.00 H new ATOM 0 HG22 THR A 2 -24.611 -8.824 4.565 1.00 0.00 H new ATOM 0 HG23 THR A 2 -25.665 -8.266 5.885 1.00 0.00 H new ATOM 34 N ASP A 3 -21.249 -10.411 7.423 1.00 0.00 N ATOM 35 CA ASP A 3 -19.958 -10.550 8.089 1.00 0.00 C ATOM 36 C ASP A 3 -18.939 -9.575 7.512 1.00 0.00 C ATOM 37 O ASP A 3 -18.520 -8.631 8.181 1.00 0.00 O ATOM 38 CB ASP A 3 -19.445 -11.984 7.951 1.00 0.00 C ATOM 39 CG ASP A 3 -20.353 -12.989 8.631 1.00 0.00 C ATOM 40 OD1 ASP A 3 -21.365 -13.386 8.016 1.00 0.00 O ATOM 41 OD2 ASP A 3 -20.055 -13.378 9.780 1.00 0.00 O ATOM 0 H ASP A 3 -21.430 -11.112 6.705 1.00 0.00 H new ATOM 0 HA ASP A 3 -20.094 -10.319 9.145 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -19.356 -12.235 6.894 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -18.445 -12.053 8.380 1.00 0.00 H new ATOM 46 N ASN A 4 -18.544 -9.810 6.265 1.00 0.00 N ATOM 47 CA ASN A 4 -17.574 -8.952 5.596 1.00 0.00 C ATOM 48 C ASN A 4 -18.252 -7.718 5.012 1.00 0.00 C ATOM 49 O ASN A 4 -17.594 -6.848 4.441 1.00 0.00 O ATOM 50 CB ASN A 4 -16.851 -9.723 4.488 1.00 0.00 C ATOM 51 CG ASN A 4 -17.745 -10.023 3.298 1.00 0.00 C ATOM 52 OD1 ASN A 4 -19.033 -10.234 3.553 1.00 0.00 O flip ATOM 53 ND2 ASN A 4 -17.281 -10.067 2.158 1.00 0.00 N flip ATOM 0 H ASN A 4 -18.881 -10.588 5.698 1.00 0.00 H new ATOM 0 HA ASN A 4 -16.844 -8.629 6.338 1.00 0.00 H new ATOM 0 HB2 ASN A 4 -15.990 -9.145 4.153 1.00 0.00 H new ATOM 0 HB3 ASN A 4 -16.468 -10.659 4.894 1.00 0.00 H new ATOM 0 HD21 ASN A 4 -16.287 -9.899 2.005 1.00 0.00 H new ATOM 0 HD22 ASN A 4 -17.891 -10.271 1.367 1.00 0.00 H new ATOM 60 N SER A 5 -19.574 -7.652 5.158 1.00 0.00 N ATOM 61 CA SER A 5 -20.353 -6.527 4.649 1.00 0.00 C ATOM 62 C SER A 5 -20.188 -6.380 3.138 1.00 0.00 C ATOM 63 O SER A 5 -20.544 -5.351 2.565 1.00 0.00 O ATOM 64 CB SER A 5 -19.938 -5.230 5.351 1.00 0.00 C ATOM 65 OG SER A 5 -20.144 -5.321 6.749 1.00 0.00 O ATOM 0 H SER A 5 -20.129 -8.368 5.627 1.00 0.00 H new ATOM 0 HA SER A 5 -21.404 -6.725 4.859 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.888 -5.022 5.147 1.00 0.00 H new ATOM 0 HB3 SER A 5 -20.512 -4.395 4.949 1.00 0.00 H new ATOM 0 HG SER A 5 -19.870 -4.482 7.175 1.00 0.00 H new ATOM 71 N ASN A 6 -19.648 -7.418 2.500 1.00 0.00 N ATOM 72 CA ASN A 6 -19.434 -7.411 1.058 1.00 0.00 C ATOM 73 C ASN A 6 -18.521 -6.265 0.646 1.00 0.00 C ATOM 74 O ASN A 6 -17.988 -5.545 1.490 1.00 0.00 O ATOM 75 CB ASN A 6 -20.770 -7.307 0.319 1.00 0.00 C ATOM 76 CG ASN A 6 -21.709 -8.453 0.644 1.00 0.00 C ATOM 77 OD1 ASN A 6 -21.143 -9.625 0.914 1.00 0.00 O flip ATOM 78 ND2 ASN A 6 -22.929 -8.288 0.649 1.00 0.00 N flip ATOM 0 H ASN A 6 -19.351 -8.276 2.964 1.00 0.00 H new ATOM 0 HA ASN A 6 -18.951 -8.350 0.787 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -21.251 -6.364 0.578 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -20.586 -7.287 -0.755 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -23.320 -7.371 0.436 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -23.548 -9.069 0.866 1.00 0.00 H new ATOM 85 N ASN A 7 -18.347 -6.112 -0.663 1.00 0.00 N ATOM 86 CA ASN A 7 -17.507 -5.055 -1.222 1.00 0.00 C ATOM 87 C ASN A 7 -16.043 -5.257 -0.842 1.00 0.00 C ATOM 88 O ASN A 7 -15.710 -5.444 0.328 1.00 0.00 O ATOM 89 CB ASN A 7 -17.991 -3.682 -0.749 1.00 0.00 C ATOM 90 CG ASN A 7 -19.483 -3.496 -0.949 1.00 0.00 C ATOM 91 OD1 ASN A 7 -20.070 -4.041 -1.884 1.00 0.00 O ATOM 92 ND2 ASN A 7 -20.107 -2.725 -0.065 1.00 0.00 N ATOM 0 H ASN A 7 -18.781 -6.713 -1.364 1.00 0.00 H new ATOM 0 HA ASN A 7 -17.586 -5.103 -2.308 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -17.750 -3.559 0.307 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -17.454 -2.904 -1.291 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -21.111 -2.566 -0.146 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -19.582 -2.292 0.695 1.00 0.00 H new ATOM 99 N GLN A 8 -15.169 -5.214 -1.842 1.00 0.00 N ATOM 100 CA GLN A 8 -13.738 -5.392 -1.620 1.00 0.00 C ATOM 101 C GLN A 8 -13.118 -4.112 -1.069 1.00 0.00 C ATOM 102 O GLN A 8 -13.579 -3.009 -1.369 1.00 0.00 O ATOM 103 CB GLN A 8 -13.051 -5.796 -2.928 1.00 0.00 C ATOM 104 CG GLN A 8 -11.631 -6.314 -2.749 1.00 0.00 C ATOM 105 CD GLN A 8 -10.612 -5.202 -2.593 1.00 0.00 C ATOM 106 OE1 GLN A 8 -10.787 -4.105 -3.123 1.00 0.00 O ATOM 107 NE2 GLN A 8 -9.536 -5.483 -1.867 1.00 0.00 N ATOM 0 H GLN A 8 -15.427 -5.057 -2.816 1.00 0.00 H new ATOM 0 HA GLN A 8 -13.595 -6.185 -0.886 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -13.648 -6.566 -3.417 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -13.031 -4.935 -3.596 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -11.593 -6.960 -1.872 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -11.363 -6.928 -3.609 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -9.432 -6.406 -1.446 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -8.814 -4.776 -1.731 1.00 0.00 H new ATOM 116 N LEU A 9 -12.073 -4.263 -0.260 1.00 0.00 N ATOM 117 CA LEU A 9 -11.395 -3.118 0.334 1.00 0.00 C ATOM 118 C LEU A 9 -10.443 -2.478 -0.668 1.00 0.00 C ATOM 119 O LEU A 9 -9.354 -2.993 -0.922 1.00 0.00 O ATOM 120 CB LEU A 9 -10.625 -3.547 1.589 1.00 0.00 C ATOM 121 CG LEU A 9 -10.266 -2.420 2.566 1.00 0.00 C ATOM 122 CD1 LEU A 9 -9.848 -2.997 3.909 1.00 0.00 C ATOM 123 CD2 LEU A 9 -9.157 -1.544 2.003 1.00 0.00 C ATOM 0 H LEU A 9 -11.678 -5.167 -0.002 1.00 0.00 H new ATOM 0 HA LEU A 9 -12.149 -2.383 0.616 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.219 -4.289 2.122 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.704 -4.040 1.277 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.152 -1.801 2.708 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -9.596 -2.185 4.591 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.669 -3.580 4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -8.978 -3.640 3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -8.921 -0.753 2.715 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -8.268 -2.150 1.827 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.486 -1.100 1.063 1.00 0.00 H new ATOM 135 N VAL A 10 -10.858 -1.351 -1.230 1.00 0.00 N ATOM 136 CA VAL A 10 -10.041 -0.637 -2.200 1.00 0.00 C ATOM 137 C VAL A 10 -9.326 0.531 -1.534 1.00 0.00 C ATOM 138 O VAL A 10 -9.914 1.243 -0.720 1.00 0.00 O ATOM 139 CB VAL A 10 -10.893 -0.110 -3.371 1.00 0.00 C ATOM 140 CG1 VAL A 10 -10.005 0.450 -4.471 1.00 0.00 C ATOM 141 CG2 VAL A 10 -11.797 -1.207 -3.913 1.00 0.00 C ATOM 0 H VAL A 10 -11.757 -0.912 -1.030 1.00 0.00 H new ATOM 0 HA VAL A 10 -9.307 -1.341 -2.592 1.00 0.00 H new ATOM 0 HB VAL A 10 -11.524 0.698 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -10.626 0.817 -5.288 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -9.407 1.270 -4.074 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -9.345 -0.335 -4.841 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -12.390 -0.815 -4.739 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -11.188 -2.039 -4.267 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -12.462 -1.555 -3.122 1.00 0.00 H new ATOM 151 N VAL A 11 -8.056 0.721 -1.874 1.00 0.00 N ATOM 152 CA VAL A 11 -7.268 1.802 -1.295 1.00 0.00 C ATOM 153 C VAL A 11 -6.795 2.778 -2.372 1.00 0.00 C ATOM 154 O VAL A 11 -6.722 2.427 -3.550 1.00 0.00 O ATOM 155 CB VAL A 11 -6.052 1.250 -0.525 1.00 0.00 C ATOM 156 CG1 VAL A 11 -4.935 0.845 -1.478 1.00 0.00 C ATOM 157 CG2 VAL A 11 -5.561 2.264 0.495 1.00 0.00 C ATOM 0 H VAL A 11 -7.552 0.142 -2.546 1.00 0.00 H new ATOM 0 HA VAL A 11 -7.914 2.336 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 11 -6.368 0.355 0.010 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -4.091 0.460 -0.906 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -5.297 0.072 -2.156 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -4.616 1.713 -2.055 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -4.702 1.857 1.029 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -5.269 3.182 -0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -6.359 2.482 1.205 1.00 0.00 H new ATOM 167 N ARG A 12 -6.477 4.004 -1.961 1.00 0.00 N ATOM 168 CA ARG A 12 -6.021 5.030 -2.894 1.00 0.00 C ATOM 169 C ARG A 12 -4.752 5.712 -2.392 1.00 0.00 C ATOM 170 O ARG A 12 -4.639 6.050 -1.214 1.00 0.00 O ATOM 171 CB ARG A 12 -7.119 6.072 -3.107 1.00 0.00 C ATOM 172 CG ARG A 12 -6.788 7.097 -4.178 1.00 0.00 C ATOM 173 CD ARG A 12 -7.825 8.206 -4.221 1.00 0.00 C ATOM 174 NE ARG A 12 -7.534 9.188 -5.262 1.00 0.00 N ATOM 175 CZ ARG A 12 -8.140 10.367 -5.353 1.00 0.00 C ATOM 176 NH1 ARG A 12 -9.063 10.714 -4.464 1.00 0.00 N ATOM 177 NH2 ARG A 12 -7.826 11.202 -6.333 1.00 0.00 N ATOM 0 H ARG A 12 -6.527 4.310 -0.989 1.00 0.00 H new ATOM 0 HA ARG A 12 -5.794 4.543 -3.842 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.044 5.562 -3.378 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.304 6.590 -2.166 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -5.804 7.524 -3.984 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.737 6.607 -5.150 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.810 7.774 -4.396 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.863 8.705 -3.253 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.826 8.956 -5.958 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.309 10.075 -3.708 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.526 11.620 -4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -7.118 10.940 -7.019 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -8.292 12.107 -6.401 1.00 0.00 H new ATOM 191 N ALA A 13 -3.798 5.906 -3.299 1.00 0.00 N ATOM 192 CA ALA A 13 -2.531 6.550 -2.965 1.00 0.00 C ATOM 193 C ALA A 13 -2.738 7.985 -2.488 1.00 0.00 C ATOM 194 O ALA A 13 -3.535 8.731 -3.061 1.00 0.00 O ATOM 195 CB ALA A 13 -1.602 6.525 -4.167 1.00 0.00 C ATOM 0 H ALA A 13 -3.880 5.625 -4.276 1.00 0.00 H new ATOM 0 HA ALA A 13 -2.077 5.991 -2.146 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.659 7.008 -3.908 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.413 5.492 -4.459 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.066 7.057 -4.997 1.00 0.00 H new ATOM 201 N LYS A 14 -2.015 8.367 -1.437 1.00 0.00 N ATOM 202 CA LYS A 14 -2.115 9.718 -0.890 1.00 0.00 C ATOM 203 C LYS A 14 -0.982 10.603 -1.403 1.00 0.00 C ATOM 204 O LYS A 14 -1.211 11.548 -2.157 1.00 0.00 O ATOM 205 CB LYS A 14 -2.088 9.685 0.641 1.00 0.00 C ATOM 206 CG LYS A 14 -3.266 8.949 1.257 1.00 0.00 C ATOM 207 CD LYS A 14 -3.344 9.173 2.761 1.00 0.00 C ATOM 208 CE LYS A 14 -2.182 8.519 3.491 1.00 0.00 C ATOM 209 NZ LYS A 14 -2.293 8.684 4.967 1.00 0.00 N ATOM 0 H LYS A 14 -1.355 7.762 -0.948 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.065 10.138 -1.221 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.163 9.211 0.969 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.073 10.708 1.017 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -4.191 9.287 0.790 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -3.177 7.882 1.052 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -3.348 10.243 2.969 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -4.284 8.771 3.140 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.150 7.458 3.245 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.244 8.955 3.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.501 8.196 5.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -2.264 9.696 5.206 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -3.191 8.276 5.295 1.00 0.00 H new ATOM 223 N PHE A 15 0.242 10.287 -0.988 1.00 0.00 N ATOM 224 CA PHE A 15 1.413 11.057 -1.394 1.00 0.00 C ATOM 225 C PHE A 15 2.168 10.359 -2.520 1.00 0.00 C ATOM 226 O PHE A 15 1.875 9.213 -2.862 1.00 0.00 O ATOM 227 CB PHE A 15 2.347 11.267 -0.200 1.00 0.00 C ATOM 228 CG PHE A 15 1.622 11.516 1.092 1.00 0.00 C ATOM 229 CD1 PHE A 15 0.814 12.631 1.247 1.00 0.00 C ATOM 230 CD2 PHE A 15 1.745 10.631 2.152 1.00 0.00 C ATOM 231 CE1 PHE A 15 0.143 12.858 2.433 1.00 0.00 C ATOM 232 CE2 PHE A 15 1.077 10.854 3.340 1.00 0.00 C ATOM 233 CZ PHE A 15 0.275 11.968 3.480 1.00 0.00 C ATOM 0 H PHE A 15 0.448 9.502 -0.370 1.00 0.00 H new ATOM 0 HA PHE A 15 1.068 12.024 -1.759 1.00 0.00 H new ATOM 0 HB2 PHE A 15 2.983 10.389 -0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 15 3.004 12.112 -0.407 1.00 0.00 H new ATOM 0 HD1 PHE A 15 0.708 13.331 0.431 1.00 0.00 H new ATOM 0 HD2 PHE A 15 2.371 9.757 2.048 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -0.484 13.731 2.541 1.00 0.00 H new ATOM 0 HE2 PHE A 15 1.182 10.157 4.158 1.00 0.00 H new ATOM 0 HZ PHE A 15 -0.249 12.144 4.408 1.00 0.00 H new ATOM 243 N ASN A 16 3.143 11.060 -3.091 1.00 0.00 N ATOM 244 CA ASN A 16 3.949 10.512 -4.177 1.00 0.00 C ATOM 245 C ASN A 16 4.975 9.514 -3.650 1.00 0.00 C ATOM 246 O ASN A 16 5.955 9.893 -3.008 1.00 0.00 O ATOM 247 CB ASN A 16 4.651 11.640 -4.938 1.00 0.00 C ATOM 248 CG ASN A 16 5.226 12.700 -4.016 1.00 0.00 C ATOM 249 OD1 ASN A 16 5.583 12.421 -2.872 1.00 0.00 O ATOM 250 ND2 ASN A 16 5.315 13.929 -4.513 1.00 0.00 N ATOM 0 H ASN A 16 3.394 12.010 -2.819 1.00 0.00 H new ATOM 0 HA ASN A 16 3.283 9.985 -4.860 1.00 0.00 H new ATOM 0 HB2 ASN A 16 5.452 11.219 -5.545 1.00 0.00 H new ATOM 0 HB3 ASN A 16 3.943 12.106 -5.623 1.00 0.00 H new ATOM 0 HD21 ASN A 16 5.691 14.685 -3.940 1.00 0.00 H new ATOM 0 HD22 ASN A 16 5.007 14.117 -5.467 1.00 0.00 H new ATOM 257 N PHE A 17 4.741 8.233 -3.924 1.00 0.00 N ATOM 258 CA PHE A 17 5.643 7.176 -3.478 1.00 0.00 C ATOM 259 C PHE A 17 6.642 6.816 -4.573 1.00 0.00 C ATOM 260 O PHE A 17 6.314 6.846 -5.760 1.00 0.00 O ATOM 261 CB PHE A 17 4.842 5.937 -3.075 1.00 0.00 C ATOM 262 CG PHE A 17 5.666 4.867 -2.416 1.00 0.00 C ATOM 263 CD1 PHE A 17 6.311 3.903 -3.175 1.00 0.00 C ATOM 264 CD2 PHE A 17 5.793 4.823 -1.036 1.00 0.00 C ATOM 265 CE1 PHE A 17 7.067 2.917 -2.571 1.00 0.00 C ATOM 266 CE2 PHE A 17 6.548 3.839 -0.426 1.00 0.00 C ATOM 267 CZ PHE A 17 7.187 2.885 -1.194 1.00 0.00 C ATOM 0 H PHE A 17 3.934 7.902 -4.453 1.00 0.00 H new ATOM 0 HA PHE A 17 6.197 7.542 -2.613 1.00 0.00 H new ATOM 0 HB2 PHE A 17 4.044 6.237 -2.396 1.00 0.00 H new ATOM 0 HB3 PHE A 17 4.365 5.520 -3.962 1.00 0.00 H new ATOM 0 HD1 PHE A 17 6.221 3.923 -4.251 1.00 0.00 H new ATOM 0 HD2 PHE A 17 5.296 5.566 -0.430 1.00 0.00 H new ATOM 0 HE1 PHE A 17 7.564 2.172 -3.174 1.00 0.00 H new ATOM 0 HE2 PHE A 17 6.638 3.816 0.650 1.00 0.00 H new ATOM 0 HZ PHE A 17 7.779 2.116 -0.720 1.00 0.00 H new ATOM 277 N GLN A 18 7.861 6.475 -4.168 1.00 0.00 N ATOM 278 CA GLN A 18 8.905 6.104 -5.115 1.00 0.00 C ATOM 279 C GLN A 18 9.540 4.772 -4.728 1.00 0.00 C ATOM 280 O GLN A 18 10.161 4.654 -3.671 1.00 0.00 O ATOM 281 CB GLN A 18 9.977 7.195 -5.181 1.00 0.00 C ATOM 282 CG GLN A 18 11.066 6.918 -6.207 1.00 0.00 C ATOM 283 CD GLN A 18 12.193 7.929 -6.151 1.00 0.00 C ATOM 284 OE1 GLN A 18 13.165 7.753 -5.416 1.00 0.00 O ATOM 285 NE2 GLN A 18 12.071 8.997 -6.932 1.00 0.00 N ATOM 0 H GLN A 18 8.150 6.448 -3.190 1.00 0.00 H new ATOM 0 HA GLN A 18 8.448 5.997 -6.098 1.00 0.00 H new ATOM 0 HB2 GLN A 18 9.501 8.147 -5.417 1.00 0.00 H new ATOM 0 HB3 GLN A 18 10.435 7.303 -4.198 1.00 0.00 H new ATOM 0 HG2 GLN A 18 11.471 5.920 -6.041 1.00 0.00 H new ATOM 0 HG3 GLN A 18 10.629 6.923 -7.205 1.00 0.00 H new ATOM 0 HE21 GLN A 18 11.249 9.103 -7.526 1.00 0.00 H new ATOM 0 HE22 GLN A 18 12.800 9.711 -6.938 1.00 0.00 H new ATOM 294 N GLN A 19 9.379 3.773 -5.590 1.00 0.00 N ATOM 295 CA GLN A 19 9.936 2.448 -5.338 1.00 0.00 C ATOM 296 C GLN A 19 11.431 2.421 -5.628 1.00 0.00 C ATOM 297 O GLN A 19 12.039 3.453 -5.913 1.00 0.00 O ATOM 298 CB GLN A 19 9.224 1.401 -6.198 1.00 0.00 C ATOM 299 CG GLN A 19 9.442 1.588 -7.692 1.00 0.00 C ATOM 300 CD GLN A 19 8.699 0.560 -8.523 1.00 0.00 C ATOM 301 OE1 GLN A 19 7.645 0.065 -8.122 1.00 0.00 O ATOM 302 NE2 GLN A 19 9.246 0.234 -9.689 1.00 0.00 N ATOM 0 H GLN A 19 8.868 3.855 -6.469 1.00 0.00 H new ATOM 0 HA GLN A 19 9.783 2.213 -4.285 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.572 0.409 -5.910 1.00 0.00 H new ATOM 0 HB3 GLN A 19 8.155 1.437 -5.988 1.00 0.00 H new ATOM 0 HG2 GLN A 19 9.116 2.587 -7.981 1.00 0.00 H new ATOM 0 HG3 GLN A 19 10.508 1.525 -7.911 1.00 0.00 H new ATOM 0 HE21 GLN A 19 10.121 0.669 -9.981 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.791 -0.452 -10.292 1.00 0.00 H new ATOM 311 N THR A 20 12.018 1.232 -5.550 1.00 0.00 N ATOM 312 CA THR A 20 13.440 1.059 -5.808 1.00 0.00 C ATOM 313 C THR A 20 13.693 -0.200 -6.629 1.00 0.00 C ATOM 314 O THR A 20 14.771 -0.379 -7.197 1.00 0.00 O ATOM 315 CB THR A 20 14.245 0.978 -4.497 1.00 0.00 C ATOM 316 OG1 THR A 20 15.644 0.871 -4.786 1.00 0.00 O ATOM 317 CG2 THR A 20 13.805 -0.216 -3.662 1.00 0.00 C ATOM 0 H THR A 20 11.527 0.371 -5.309 1.00 0.00 H new ATOM 0 HA THR A 20 13.771 1.932 -6.370 1.00 0.00 H new ATOM 0 HB THR A 20 14.059 1.889 -3.928 1.00 0.00 H new ATOM 0 HG1 THR A 20 15.856 -0.052 -5.039 1.00 0.00 H new ATOM 0 HG21 THR A 20 14.388 -0.251 -2.742 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.747 -0.119 -3.418 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.964 -1.134 -4.228 1.00 0.00 H new ATOM 325 N ASN A 21 12.689 -1.070 -6.686 1.00 0.00 N ATOM 326 CA ASN A 21 12.793 -2.315 -7.438 1.00 0.00 C ATOM 327 C ASN A 21 11.417 -2.775 -7.910 1.00 0.00 C ATOM 328 O ASN A 21 10.395 -2.397 -7.337 1.00 0.00 O ATOM 329 CB ASN A 21 13.447 -3.398 -6.575 1.00 0.00 C ATOM 330 CG ASN A 21 13.759 -4.657 -7.359 1.00 0.00 C ATOM 331 OD1 ASN A 21 13.997 -4.608 -8.567 1.00 0.00 O ATOM 332 ND2 ASN A 21 13.766 -5.795 -6.675 1.00 0.00 N ATOM 0 H ASN A 21 11.792 -0.935 -6.219 1.00 0.00 H new ATOM 0 HA ASN A 21 13.415 -2.139 -8.315 1.00 0.00 H new ATOM 0 HB2 ASN A 21 14.368 -3.006 -6.142 1.00 0.00 H new ATOM 0 HB3 ASN A 21 12.785 -3.646 -5.745 1.00 0.00 H new ATOM 0 HD21 ASN A 21 13.974 -6.674 -7.149 1.00 0.00 H new ATOM 0 HD22 ASN A 21 13.563 -5.790 -5.675 1.00 0.00 H new ATOM 339 N GLU A 22 11.396 -3.588 -8.962 1.00 0.00 N ATOM 340 CA GLU A 22 10.143 -4.095 -9.516 1.00 0.00 C ATOM 341 C GLU A 22 9.412 -4.981 -8.512 1.00 0.00 C ATOM 342 O GLU A 22 8.193 -5.143 -8.589 1.00 0.00 O ATOM 343 CB GLU A 22 10.412 -4.875 -10.804 1.00 0.00 C ATOM 344 CG GLU A 22 11.287 -6.102 -10.603 1.00 0.00 C ATOM 345 CD GLU A 22 11.540 -6.854 -11.894 1.00 0.00 C ATOM 346 OE1 GLU A 22 10.671 -7.658 -12.293 1.00 0.00 O ATOM 347 OE2 GLU A 22 12.606 -6.638 -12.507 1.00 0.00 O ATOM 0 H GLU A 22 12.232 -3.910 -9.449 1.00 0.00 H new ATOM 0 HA GLU A 22 9.505 -3.240 -9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 22 9.461 -5.185 -11.236 1.00 0.00 H new ATOM 0 HB3 GLU A 22 10.890 -4.213 -11.526 1.00 0.00 H new ATOM 0 HG2 GLU A 22 12.240 -5.797 -10.171 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.811 -6.770 -9.885 1.00 0.00 H new ATOM 354 N ASP A 23 10.158 -5.556 -7.572 1.00 0.00 N ATOM 355 CA ASP A 23 9.569 -6.424 -6.555 1.00 0.00 C ATOM 356 C ASP A 23 8.606 -5.645 -5.665 1.00 0.00 C ATOM 357 O ASP A 23 7.769 -6.231 -4.978 1.00 0.00 O ATOM 358 CB ASP A 23 10.663 -7.072 -5.705 1.00 0.00 C ATOM 359 CG ASP A 23 11.376 -8.193 -6.436 1.00 0.00 C ATOM 360 OD1 ASP A 23 12.183 -7.894 -7.340 1.00 0.00 O ATOM 361 OD2 ASP A 23 11.124 -9.370 -6.105 1.00 0.00 O ATOM 0 H ASP A 23 11.168 -5.437 -7.493 1.00 0.00 H new ATOM 0 HA ASP A 23 9.009 -7.208 -7.065 1.00 0.00 H new ATOM 0 HB2 ASP A 23 11.389 -6.313 -5.412 1.00 0.00 H new ATOM 0 HB3 ASP A 23 10.223 -7.463 -4.788 1.00 0.00 H new ATOM 366 N GLU A 24 8.729 -4.321 -5.682 1.00 0.00 N ATOM 367 CA GLU A 24 7.864 -3.462 -4.881 1.00 0.00 C ATOM 368 C GLU A 24 6.693 -2.961 -5.725 1.00 0.00 C ATOM 369 O GLU A 24 6.344 -3.572 -6.735 1.00 0.00 O ATOM 370 CB GLU A 24 8.660 -2.280 -4.325 1.00 0.00 C ATOM 371 CG GLU A 24 8.171 -1.797 -2.969 1.00 0.00 C ATOM 372 CD GLU A 24 8.416 -2.809 -1.866 1.00 0.00 C ATOM 373 OE1 GLU A 24 7.542 -3.675 -1.650 1.00 0.00 O ATOM 374 OE2 GLU A 24 9.482 -2.735 -1.220 1.00 0.00 O ATOM 0 H GLU A 24 9.419 -3.820 -6.242 1.00 0.00 H new ATOM 0 HA GLU A 24 7.471 -4.041 -4.045 1.00 0.00 H new ATOM 0 HB2 GLU A 24 9.708 -2.566 -4.242 1.00 0.00 H new ATOM 0 HB3 GLU A 24 8.610 -1.454 -5.035 1.00 0.00 H new ATOM 0 HG2 GLU A 24 8.673 -0.863 -2.718 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.104 -1.580 -3.028 1.00 0.00 H new ATOM 381 N LEU A 25 6.092 -1.849 -5.313 1.00 0.00 N ATOM 382 CA LEU A 25 4.964 -1.280 -6.042 1.00 0.00 C ATOM 383 C LEU A 25 4.950 0.239 -5.911 1.00 0.00 C ATOM 384 O LEU A 25 4.781 0.776 -4.816 1.00 0.00 O ATOM 385 CB LEU A 25 3.647 -1.867 -5.519 1.00 0.00 C ATOM 386 CG LEU A 25 2.465 -1.809 -6.493 1.00 0.00 C ATOM 387 CD1 LEU A 25 1.339 -2.710 -6.014 1.00 0.00 C ATOM 388 CD2 LEU A 25 1.966 -0.381 -6.654 1.00 0.00 C ATOM 0 H LEU A 25 6.366 -1.326 -4.481 1.00 0.00 H new ATOM 0 HA LEU A 25 5.072 -1.534 -7.096 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.817 -2.908 -5.244 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.370 -1.337 -4.607 1.00 0.00 H new ATOM 0 HG LEU A 25 2.808 -2.163 -7.465 1.00 0.00 H new ATOM 0 HD11 LEU A 25 0.507 -2.658 -6.716 1.00 0.00 H new ATOM 0 HD12 LEU A 25 1.697 -3.738 -5.951 1.00 0.00 H new ATOM 0 HD13 LEU A 25 1.004 -2.382 -5.030 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.127 -0.365 -7.350 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.642 0.003 -5.686 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.771 0.244 -7.041 1.00 0.00 H new ATOM 400 N SER A 26 5.130 0.925 -7.035 1.00 0.00 N ATOM 401 CA SER A 26 5.137 2.384 -7.051 1.00 0.00 C ATOM 402 C SER A 26 3.743 2.923 -7.349 1.00 0.00 C ATOM 403 O SER A 26 2.945 2.265 -8.017 1.00 0.00 O ATOM 404 CB SER A 26 6.129 2.903 -8.092 1.00 0.00 C ATOM 405 OG SER A 26 6.102 4.318 -8.163 1.00 0.00 O ATOM 0 H SER A 26 5.273 0.493 -7.948 1.00 0.00 H new ATOM 0 HA SER A 26 5.445 2.733 -6.066 1.00 0.00 H new ATOM 0 HB2 SER A 26 7.135 2.568 -7.839 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.889 2.482 -9.069 1.00 0.00 H new ATOM 0 HG SER A 26 6.747 4.624 -8.835 1.00 0.00 H new ATOM 411 N PHE A 27 3.457 4.122 -6.853 1.00 0.00 N ATOM 412 CA PHE A 27 2.152 4.736 -7.066 1.00 0.00 C ATOM 413 C PHE A 27 2.176 6.224 -6.736 1.00 0.00 C ATOM 414 O PHE A 27 2.960 6.674 -5.900 1.00 0.00 O ATOM 415 CB PHE A 27 1.093 4.029 -6.216 1.00 0.00 C ATOM 416 CG PHE A 27 1.507 3.827 -4.785 1.00 0.00 C ATOM 417 CD1 PHE A 27 1.331 4.833 -3.850 1.00 0.00 C ATOM 418 CD2 PHE A 27 2.070 2.630 -4.378 1.00 0.00 C ATOM 419 CE1 PHE A 27 1.710 4.648 -2.534 1.00 0.00 C ATOM 420 CE2 PHE A 27 2.451 2.438 -3.064 1.00 0.00 C ATOM 421 CZ PHE A 27 2.270 3.449 -2.140 1.00 0.00 C ATOM 0 H PHE A 27 4.107 4.685 -6.304 1.00 0.00 H new ATOM 0 HA PHE A 27 1.900 4.629 -8.121 1.00 0.00 H new ATOM 0 HB2 PHE A 27 0.172 4.611 -6.240 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.870 3.060 -6.661 1.00 0.00 H new ATOM 0 HD1 PHE A 27 0.893 5.773 -4.153 1.00 0.00 H new ATOM 0 HD2 PHE A 27 2.213 1.836 -5.096 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.568 5.441 -1.814 1.00 0.00 H new ATOM 0 HE2 PHE A 27 2.890 1.499 -2.760 1.00 0.00 H new ATOM 0 HZ PHE A 27 2.566 3.302 -1.112 1.00 0.00 H new ATOM 431 N SER A 28 1.309 6.979 -7.402 1.00 0.00 N ATOM 432 CA SER A 28 1.214 8.417 -7.185 1.00 0.00 C ATOM 433 C SER A 28 -0.226 8.814 -6.880 1.00 0.00 C ATOM 434 O SER A 28 -1.156 8.077 -7.201 1.00 0.00 O ATOM 435 CB SER A 28 1.716 9.176 -8.415 1.00 0.00 C ATOM 436 OG SER A 28 3.073 8.869 -8.686 1.00 0.00 O ATOM 0 H SER A 28 0.659 6.616 -8.100 1.00 0.00 H new ATOM 0 HA SER A 28 1.839 8.678 -6.331 1.00 0.00 H new ATOM 0 HB2 SER A 28 1.103 8.920 -9.279 1.00 0.00 H new ATOM 0 HB3 SER A 28 1.608 10.249 -8.253 1.00 0.00 H new ATOM 0 HG SER A 28 3.369 9.365 -9.477 1.00 0.00 H new ATOM 442 N LYS A 29 -0.397 9.974 -6.250 1.00 0.00 N ATOM 443 CA LYS A 29 -1.726 10.476 -5.900 1.00 0.00 C ATOM 444 C LYS A 29 -2.707 10.299 -7.056 1.00 0.00 C ATOM 445 O LYS A 29 -2.715 11.088 -8.001 1.00 0.00 O ATOM 446 CB LYS A 29 -1.645 11.952 -5.507 1.00 0.00 C ATOM 447 CG LYS A 29 -2.971 12.537 -5.047 1.00 0.00 C ATOM 448 CD LYS A 29 -2.824 13.989 -4.614 1.00 0.00 C ATOM 449 CE LYS A 29 -2.535 14.900 -5.797 1.00 0.00 C ATOM 450 NZ LYS A 29 -3.652 14.902 -6.783 1.00 0.00 N ATOM 0 H LYS A 29 0.369 10.586 -5.970 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.091 9.896 -5.052 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.911 12.066 -4.709 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.281 12.526 -6.359 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.699 12.470 -5.856 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.361 11.947 -4.217 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -3.738 14.315 -4.118 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -2.018 14.072 -3.885 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -2.364 15.916 -5.440 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -1.617 14.577 -6.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.560 15.726 -7.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.617 14.030 -7.349 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -4.560 14.951 -6.279 1.00 0.00 H new ATOM 464 N GLY A 30 -3.530 9.256 -6.975 1.00 0.00 N ATOM 465 CA GLY A 30 -4.502 8.995 -8.021 1.00 0.00 C ATOM 466 C GLY A 30 -4.620 7.520 -8.359 1.00 0.00 C ATOM 467 O GLY A 30 -5.726 7.001 -8.516 1.00 0.00 O ATOM 0 H GLY A 30 -3.540 8.588 -6.204 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -5.476 9.370 -7.707 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -4.221 9.547 -8.918 1.00 0.00 H new ATOM 471 N ASP A 31 -3.480 6.843 -8.472 1.00 0.00 N ATOM 472 CA ASP A 31 -3.461 5.420 -8.799 1.00 0.00 C ATOM 473 C ASP A 31 -4.240 4.605 -7.770 1.00 0.00 C ATOM 474 O ASP A 31 -3.920 4.616 -6.582 1.00 0.00 O ATOM 475 CB ASP A 31 -2.020 4.909 -8.887 1.00 0.00 C ATOM 476 CG ASP A 31 -1.232 5.596 -9.984 1.00 0.00 C ATOM 477 OD1 ASP A 31 -0.656 6.672 -9.717 1.00 0.00 O ATOM 478 OD2 ASP A 31 -1.192 5.061 -11.112 1.00 0.00 O ATOM 0 H ASP A 31 -2.557 7.257 -8.342 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.943 5.297 -9.769 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.522 5.068 -7.931 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.028 3.834 -9.067 1.00 0.00 H new ATOM 483 N VAL A 32 -5.266 3.900 -8.241 1.00 0.00 N ATOM 484 CA VAL A 32 -6.098 3.075 -7.371 1.00 0.00 C ATOM 485 C VAL A 32 -5.559 1.649 -7.299 1.00 0.00 C ATOM 486 O VAL A 32 -5.439 0.972 -8.320 1.00 0.00 O ATOM 487 CB VAL A 32 -7.558 3.040 -7.866 1.00 0.00 C ATOM 488 CG1 VAL A 32 -8.447 2.307 -6.874 1.00 0.00 C ATOM 489 CG2 VAL A 32 -8.073 4.451 -8.112 1.00 0.00 C ATOM 0 H VAL A 32 -5.541 3.884 -9.223 1.00 0.00 H new ATOM 0 HA VAL A 32 -6.071 3.522 -6.377 1.00 0.00 H new ATOM 0 HB VAL A 32 -7.586 2.496 -8.810 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.472 2.295 -7.244 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -8.092 1.283 -6.755 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -8.415 2.817 -5.911 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -9.105 4.406 -8.461 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.028 5.022 -7.184 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -7.456 4.937 -8.867 1.00 0.00 H new ATOM 499 N ILE A 33 -5.243 1.197 -6.090 1.00 0.00 N ATOM 500 CA ILE A 33 -4.705 -0.146 -5.892 1.00 0.00 C ATOM 501 C ILE A 33 -5.695 -1.044 -5.158 1.00 0.00 C ATOM 502 O ILE A 33 -6.361 -0.614 -4.217 1.00 0.00 O ATOM 503 CB ILE A 33 -3.383 -0.107 -5.099 1.00 0.00 C ATOM 504 CG1 ILE A 33 -2.371 0.797 -5.804 1.00 0.00 C ATOM 505 CG2 ILE A 33 -2.821 -1.513 -4.930 1.00 0.00 C ATOM 506 CD1 ILE A 33 -1.123 1.066 -4.990 1.00 0.00 C ATOM 0 H ILE A 33 -5.350 1.739 -5.233 1.00 0.00 H new ATOM 0 HA ILE A 33 -4.520 -0.557 -6.884 1.00 0.00 H new ATOM 0 HB ILE A 33 -3.582 0.302 -4.108 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.085 0.338 -6.750 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -2.850 1.747 -6.042 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -1.888 -1.467 -4.368 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.540 -2.130 -4.390 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.633 -1.950 -5.911 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.453 1.714 -5.555 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -1.397 1.554 -4.055 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.620 0.124 -4.774 1.00 0.00 H new ATOM 518 N HIS A 34 -5.783 -2.294 -5.601 1.00 0.00 N ATOM 519 CA HIS A 34 -6.680 -3.263 -4.983 1.00 0.00 C ATOM 520 C HIS A 34 -5.939 -4.080 -3.929 1.00 0.00 C ATOM 521 O HIS A 34 -4.943 -4.739 -4.229 1.00 0.00 O ATOM 522 CB HIS A 34 -7.275 -4.190 -6.044 1.00 0.00 C ATOM 523 CG HIS A 34 -8.074 -3.471 -7.086 1.00 0.00 C ATOM 524 ND1 HIS A 34 -7.660 -3.336 -8.395 1.00 0.00 N ATOM 525 CD2 HIS A 34 -9.275 -2.848 -7.008 1.00 0.00 C ATOM 526 CE1 HIS A 34 -8.569 -2.661 -9.075 1.00 0.00 C ATOM 527 NE2 HIS A 34 -9.559 -2.355 -8.258 1.00 0.00 N ATOM 0 H HIS A 34 -5.244 -2.659 -6.386 1.00 0.00 H new ATOM 0 HA HIS A 34 -7.491 -2.720 -4.497 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -6.468 -4.738 -6.530 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -7.911 -4.928 -5.555 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -9.893 -2.756 -6.127 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -8.512 -2.403 -10.122 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -10.399 -1.836 -8.513 1.00 0.00 H new ATOM 536 N VAL A 35 -6.430 -4.033 -2.695 1.00 0.00 N ATOM 537 CA VAL A 35 -5.809 -4.761 -1.595 1.00 0.00 C ATOM 538 C VAL A 35 -6.090 -6.258 -1.690 1.00 0.00 C ATOM 539 O VAL A 35 -7.199 -6.675 -2.022 1.00 0.00 O ATOM 540 CB VAL A 35 -6.304 -4.241 -0.232 1.00 0.00 C ATOM 541 CG1 VAL A 35 -5.593 -4.952 0.909 1.00 0.00 C ATOM 542 CG2 VAL A 35 -6.110 -2.736 -0.134 1.00 0.00 C ATOM 0 H VAL A 35 -7.257 -3.498 -2.432 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.735 -4.595 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 35 -7.370 -4.456 -0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -5.959 -4.568 1.861 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -5.790 -6.022 0.850 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.520 -4.776 0.835 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -6.465 -2.386 0.835 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -5.052 -2.498 -0.240 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -6.674 -2.244 -0.926 1.00 0.00 H new ATOM 552 N THR A 36 -5.072 -7.060 -1.397 1.00 0.00 N ATOM 553 CA THR A 36 -5.198 -8.511 -1.440 1.00 0.00 C ATOM 554 C THR A 36 -4.967 -9.110 -0.058 1.00 0.00 C ATOM 555 O THR A 36 -5.430 -10.210 0.241 1.00 0.00 O ATOM 556 CB THR A 36 -4.197 -9.133 -2.431 1.00 0.00 C ATOM 557 OG1 THR A 36 -2.857 -8.916 -1.972 1.00 0.00 O ATOM 558 CG2 THR A 36 -4.364 -8.533 -3.817 1.00 0.00 C ATOM 0 H THR A 36 -4.147 -6.727 -1.126 1.00 0.00 H new ATOM 0 HA THR A 36 -6.211 -8.738 -1.774 1.00 0.00 H new ATOM 0 HB THR A 36 -4.394 -10.203 -2.489 1.00 0.00 H new ATOM 0 HG1 THR A 36 -2.773 -8.002 -1.629 1.00 0.00 H new ATOM 0 HG21 THR A 36 -3.646 -8.988 -4.499 1.00 0.00 H new ATOM 0 HG22 THR A 36 -5.376 -8.722 -4.176 1.00 0.00 H new ATOM 0 HG23 THR A 36 -4.190 -7.458 -3.771 1.00 0.00 H new ATOM 566 N ARG A 37 -4.248 -8.367 0.779 1.00 0.00 N ATOM 567 CA ARG A 37 -3.944 -8.806 2.138 1.00 0.00 C ATOM 568 C ARG A 37 -3.824 -7.604 3.070 1.00 0.00 C ATOM 569 O ARG A 37 -2.931 -6.771 2.910 1.00 0.00 O ATOM 570 CB ARG A 37 -2.643 -9.612 2.160 1.00 0.00 C ATOM 571 CG ARG A 37 -2.715 -10.916 1.383 1.00 0.00 C ATOM 572 CD ARG A 37 -1.381 -11.644 1.387 1.00 0.00 C ATOM 573 NE ARG A 37 -1.444 -12.899 0.643 1.00 0.00 N ATOM 574 CZ ARG A 37 -0.395 -13.457 0.044 1.00 0.00 C ATOM 575 NH1 ARG A 37 0.794 -12.874 0.102 1.00 0.00 N ATOM 576 NH2 ARG A 37 -0.535 -14.599 -0.615 1.00 0.00 N ATOM 0 H ARG A 37 -3.863 -7.454 0.538 1.00 0.00 H new ATOM 0 HA ARG A 37 -4.759 -9.442 2.484 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -1.840 -8.999 1.750 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -2.380 -9.831 3.195 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.481 -11.557 1.818 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.016 -10.712 0.355 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -0.615 -11.002 0.952 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.081 -11.846 2.415 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.344 -13.375 0.579 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.907 -11.995 0.607 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.596 -13.304 -0.358 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -1.448 -15.051 -0.663 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.270 -15.025 -1.074 1.00 0.00 H new ATOM 590 N VAL A 38 -4.729 -7.518 4.042 1.00 0.00 N ATOM 591 CA VAL A 38 -4.723 -6.412 4.993 1.00 0.00 C ATOM 592 C VAL A 38 -4.387 -6.894 6.402 1.00 0.00 C ATOM 593 O VAL A 38 -5.120 -7.688 6.993 1.00 0.00 O ATOM 594 CB VAL A 38 -6.082 -5.676 5.005 1.00 0.00 C ATOM 595 CG1 VAL A 38 -7.232 -6.661 5.133 1.00 0.00 C ATOM 596 CG2 VAL A 38 -6.129 -4.643 6.123 1.00 0.00 C ATOM 0 H VAL A 38 -5.473 -8.199 4.191 1.00 0.00 H new ATOM 0 HA VAL A 38 -3.950 -5.715 4.668 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.189 -5.153 4.055 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.177 -6.118 5.139 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.215 -7.351 4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.129 -7.221 6.062 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.095 -4.138 6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.991 -5.140 7.083 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.335 -3.911 5.976 1.00 0.00 H new ATOM 606 N GLU A 39 -3.267 -6.410 6.931 1.00 0.00 N ATOM 607 CA GLU A 39 -2.826 -6.779 8.272 1.00 0.00 C ATOM 608 C GLU A 39 -3.208 -5.700 9.279 1.00 0.00 C ATOM 609 O GLU A 39 -3.710 -4.639 8.905 1.00 0.00 O ATOM 610 CB GLU A 39 -1.312 -6.999 8.295 1.00 0.00 C ATOM 611 CG GLU A 39 -0.828 -8.041 7.299 1.00 0.00 C ATOM 612 CD GLU A 39 0.670 -8.271 7.377 1.00 0.00 C ATOM 613 OE1 GLU A 39 1.425 -7.477 6.776 1.00 0.00 O ATOM 614 OE2 GLU A 39 1.088 -9.244 8.040 1.00 0.00 O ATOM 0 H GLU A 39 -2.647 -5.759 6.449 1.00 0.00 H new ATOM 0 HA GLU A 39 -3.323 -7.709 8.549 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.813 -6.052 8.087 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -1.014 -7.303 9.298 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.346 -8.982 7.483 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.091 -7.724 6.290 1.00 0.00 H new ATOM 621 N GLU A 40 -2.969 -5.975 10.557 1.00 0.00 N ATOM 622 CA GLU A 40 -3.286 -5.020 11.613 1.00 0.00 C ATOM 623 C GLU A 40 -2.164 -3.998 11.776 1.00 0.00 C ATOM 624 O GLU A 40 -1.230 -4.207 12.550 1.00 0.00 O ATOM 625 CB GLU A 40 -3.532 -5.747 12.937 1.00 0.00 C ATOM 626 CG GLU A 40 -3.879 -4.815 14.088 1.00 0.00 C ATOM 627 CD GLU A 40 -4.163 -5.561 15.377 1.00 0.00 C ATOM 628 OE1 GLU A 40 -3.194 -5.954 16.061 1.00 0.00 O ATOM 629 OE2 GLU A 40 -5.354 -5.755 15.701 1.00 0.00 O ATOM 0 H GLU A 40 -2.558 -6.849 10.886 1.00 0.00 H new ATOM 0 HA GLU A 40 -4.196 -4.491 11.328 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.343 -6.463 12.803 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -2.642 -6.319 13.199 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -3.055 -4.120 14.249 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -4.751 -4.219 13.818 1.00 0.00 H new ATOM 636 N GLY A 41 -2.262 -2.898 11.034 1.00 0.00 N ATOM 637 CA GLY A 41 -1.250 -1.857 11.107 1.00 0.00 C ATOM 638 C GLY A 41 0.122 -2.352 10.690 1.00 0.00 C ATOM 639 O GLY A 41 0.873 -2.881 11.511 1.00 0.00 O ATOM 0 H GLY A 41 -3.024 -2.709 10.383 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -1.543 -1.025 10.467 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -1.200 -1.474 12.126 1.00 0.00 H new ATOM 643 N GLY A 42 0.452 -2.176 9.414 1.00 0.00 N ATOM 644 CA GLY A 42 1.741 -2.616 8.912 1.00 0.00 C ATOM 645 C GLY A 42 1.855 -2.473 7.407 1.00 0.00 C ATOM 646 O GLY A 42 1.496 -1.438 6.846 1.00 0.00 O ATOM 0 H GLY A 42 -0.151 -1.736 8.719 1.00 0.00 H new ATOM 0 HA2 GLY A 42 2.531 -2.037 9.390 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.899 -3.659 9.188 1.00 0.00 H new ATOM 650 N TRP A 43 2.355 -3.517 6.753 1.00 0.00 N ATOM 651 CA TRP A 43 2.517 -3.510 5.303 1.00 0.00 C ATOM 652 C TRP A 43 1.372 -4.248 4.619 1.00 0.00 C ATOM 653 O TRP A 43 1.041 -5.377 4.983 1.00 0.00 O ATOM 654 CB TRP A 43 3.850 -4.150 4.913 1.00 0.00 C ATOM 655 CG TRP A 43 4.990 -3.180 4.873 1.00 0.00 C ATOM 656 CD1 TRP A 43 5.829 -2.854 5.901 1.00 0.00 C ATOM 657 CD2 TRP A 43 5.419 -2.414 3.743 1.00 0.00 C ATOM 658 NE1 TRP A 43 6.754 -1.931 5.478 1.00 0.00 N ATOM 659 CE2 TRP A 43 6.524 -1.644 4.156 1.00 0.00 C ATOM 660 CE3 TRP A 43 4.976 -2.303 2.421 1.00 0.00 C ATOM 661 CZ2 TRP A 43 7.192 -0.777 3.295 1.00 0.00 C ATOM 662 CZ3 TRP A 43 5.641 -1.441 1.567 1.00 0.00 C ATOM 663 CH2 TRP A 43 6.738 -0.689 2.007 1.00 0.00 C ATOM 0 H TRP A 43 2.656 -4.380 7.205 1.00 0.00 H new ATOM 0 HA TRP A 43 2.506 -2.472 4.971 1.00 0.00 H new ATOM 0 HB2 TRP A 43 4.084 -4.944 5.622 1.00 0.00 H new ATOM 0 HB3 TRP A 43 3.747 -4.617 3.934 1.00 0.00 H new ATOM 0 HD1 TRP A 43 5.773 -3.262 6.899 1.00 0.00 H new ATOM 0 HE1 TRP A 43 7.492 -1.525 6.053 1.00 0.00 H new ATOM 0 HE3 TRP A 43 4.131 -2.879 2.073 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 8.037 -0.195 3.631 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 5.309 -1.346 0.544 1.00 0.00 H new ATOM 0 HH2 TRP A 43 7.236 -0.026 1.315 1.00 0.00 H new ATOM 674 N TRP A 44 0.769 -3.601 3.625 1.00 0.00 N ATOM 675 CA TRP A 44 -0.339 -4.193 2.882 1.00 0.00 C ATOM 676 C TRP A 44 0.082 -4.516 1.453 1.00 0.00 C ATOM 677 O TRP A 44 0.760 -3.724 0.803 1.00 0.00 O ATOM 678 CB TRP A 44 -1.541 -3.241 2.862 1.00 0.00 C ATOM 679 CG TRP A 44 -2.130 -2.964 4.215 1.00 0.00 C ATOM 680 CD1 TRP A 44 -1.719 -3.468 5.418 1.00 0.00 C ATOM 681 CD2 TRP A 44 -3.247 -2.114 4.499 1.00 0.00 C ATOM 682 NE1 TRP A 44 -2.508 -2.978 6.429 1.00 0.00 N ATOM 683 CE2 TRP A 44 -3.453 -2.146 5.891 1.00 0.00 C ATOM 684 CE3 TRP A 44 -4.092 -1.327 3.711 1.00 0.00 C ATOM 685 CZ2 TRP A 44 -4.469 -1.421 6.509 1.00 0.00 C ATOM 686 CZ3 TRP A 44 -5.100 -0.609 4.326 1.00 0.00 C ATOM 687 CH2 TRP A 44 -5.281 -0.660 5.714 1.00 0.00 C ATOM 0 H TRP A 44 1.030 -2.665 3.315 1.00 0.00 H new ATOM 0 HA TRP A 44 -0.625 -5.118 3.383 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -1.235 -2.297 2.411 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -2.315 -3.664 2.221 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -0.894 -4.152 5.553 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -2.407 -3.198 7.420 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.959 -1.281 2.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -4.611 -1.458 7.579 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -5.759 0.001 3.727 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -6.078 -0.087 6.165 1.00 0.00 H new ATOM 698 N GLU A 45 -0.327 -5.682 0.967 1.00 0.00 N ATOM 699 CA GLU A 45 0.004 -6.103 -0.390 1.00 0.00 C ATOM 700 C GLU A 45 -1.198 -5.940 -1.314 1.00 0.00 C ATOM 701 O GLU A 45 -2.343 -6.084 -0.886 1.00 0.00 O ATOM 702 CB GLU A 45 0.470 -7.561 -0.398 1.00 0.00 C ATOM 703 CG GLU A 45 0.946 -8.042 -1.760 1.00 0.00 C ATOM 704 CD GLU A 45 1.342 -9.505 -1.756 1.00 0.00 C ATOM 705 OE1 GLU A 45 0.466 -10.358 -2.015 1.00 0.00 O ATOM 706 OE2 GLU A 45 2.527 -9.799 -1.492 1.00 0.00 O ATOM 0 H GLU A 45 -0.888 -6.353 1.492 1.00 0.00 H new ATOM 0 HA GLU A 45 0.813 -5.469 -0.753 1.00 0.00 H new ATOM 0 HB2 GLU A 45 1.279 -7.679 0.323 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -0.349 -8.197 -0.064 1.00 0.00 H new ATOM 0 HG2 GLU A 45 0.155 -7.886 -2.493 1.00 0.00 H new ATOM 0 HG3 GLU A 45 1.798 -7.440 -2.077 1.00 0.00 H new ATOM 713 N GLY A 46 -0.932 -5.640 -2.582 1.00 0.00 N ATOM 714 CA GLY A 46 -2.007 -5.463 -3.539 1.00 0.00 C ATOM 715 C GLY A 46 -1.543 -5.615 -4.973 1.00 0.00 C ATOM 716 O GLY A 46 -0.407 -6.017 -5.228 1.00 0.00 O ATOM 0 H GLY A 46 0.007 -5.517 -2.962 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.792 -6.191 -3.336 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -2.447 -4.475 -3.406 1.00 0.00 H new ATOM 720 N THR A 47 -2.426 -5.293 -5.913 1.00 0.00 N ATOM 721 CA THR A 47 -2.109 -5.399 -7.331 1.00 0.00 C ATOM 722 C THR A 47 -2.502 -4.129 -8.082 1.00 0.00 C ATOM 723 O THR A 47 -3.455 -3.443 -7.708 1.00 0.00 O ATOM 724 CB THR A 47 -2.820 -6.608 -7.972 1.00 0.00 C ATOM 725 OG1 THR A 47 -2.433 -7.813 -7.302 1.00 0.00 O ATOM 726 CG2 THR A 47 -2.488 -6.719 -9.453 1.00 0.00 C ATOM 0 H THR A 47 -3.368 -4.956 -5.717 1.00 0.00 H new ATOM 0 HA THR A 47 -1.031 -5.538 -7.407 1.00 0.00 H new ATOM 0 HB THR A 47 -3.895 -6.460 -7.870 1.00 0.00 H new ATOM 0 HG1 THR A 47 -2.889 -8.577 -7.713 1.00 0.00 H new ATOM 0 HG21 THR A 47 -3.003 -7.580 -9.878 1.00 0.00 H new ATOM 0 HG22 THR A 47 -2.810 -5.813 -9.967 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.412 -6.843 -9.576 1.00 0.00 H new ATOM 734 N LEU A 48 -1.760 -3.823 -9.143 1.00 0.00 N ATOM 735 CA LEU A 48 -2.027 -2.644 -9.957 1.00 0.00 C ATOM 736 C LEU A 48 -1.629 -2.897 -11.408 1.00 0.00 C ATOM 737 O LEU A 48 -0.883 -3.833 -11.699 1.00 0.00 O ATOM 738 CB LEU A 48 -1.276 -1.426 -9.404 1.00 0.00 C ATOM 739 CG LEU A 48 -1.575 -0.098 -10.108 1.00 0.00 C ATOM 740 CD1 LEU A 48 -3.064 0.211 -10.069 1.00 0.00 C ATOM 741 CD2 LEU A 48 -0.784 1.034 -9.470 1.00 0.00 C ATOM 0 H LEU A 48 -0.966 -4.379 -9.459 1.00 0.00 H new ATOM 0 HA LEU A 48 -3.097 -2.437 -9.920 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -1.518 -1.320 -8.346 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -0.205 -1.620 -9.469 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.271 -0.191 -11.151 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.252 1.158 -10.575 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -3.614 -0.584 -10.572 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.394 0.281 -9.033 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -1.009 1.969 -9.983 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -1.058 1.122 -8.419 1.00 0.00 H new ATOM 0 HD23 LEU A 48 0.282 0.823 -9.551 1.00 0.00 H new ATOM 753 N ASN A 49 -2.137 -2.064 -12.312 1.00 0.00 N ATOM 754 CA ASN A 49 -1.845 -2.199 -13.737 1.00 0.00 C ATOM 755 C ASN A 49 -0.343 -2.276 -14.001 1.00 0.00 C ATOM 756 O ASN A 49 0.349 -1.257 -14.021 1.00 0.00 O ATOM 757 CB ASN A 49 -2.448 -1.025 -14.511 1.00 0.00 C ATOM 758 CG ASN A 49 -3.954 -0.938 -14.352 1.00 0.00 C ATOM 759 OD1 ASN A 49 -4.708 -1.529 -15.125 1.00 0.00 O ATOM 760 ND2 ASN A 49 -4.400 -0.194 -13.345 1.00 0.00 N ATOM 0 H ASN A 49 -2.755 -1.286 -12.082 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.294 -3.132 -14.079 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -1.995 -0.095 -14.166 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.203 -1.126 -15.568 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.403 -0.096 -13.189 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.739 0.279 -12.728 1.00 0.00 H new ATOM 767 N GLY A 50 0.155 -3.494 -14.201 1.00 0.00 N ATOM 768 CA GLY A 50 1.568 -3.689 -14.479 1.00 0.00 C ATOM 769 C GLY A 50 2.445 -3.589 -13.243 1.00 0.00 C ATOM 770 O GLY A 50 3.605 -4.002 -13.269 1.00 0.00 O ATOM 0 H GLY A 50 -0.397 -4.351 -14.175 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.709 -4.668 -14.937 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.893 -2.946 -15.207 1.00 0.00 H new ATOM 774 N ARG A 51 1.900 -3.044 -12.161 1.00 0.00 N ATOM 775 CA ARG A 51 2.654 -2.894 -10.922 1.00 0.00 C ATOM 776 C ARG A 51 2.097 -3.804 -9.832 1.00 0.00 C ATOM 777 O ARG A 51 0.918 -3.727 -9.490 1.00 0.00 O ATOM 778 CB ARG A 51 2.626 -1.438 -10.454 1.00 0.00 C ATOM 779 CG ARG A 51 3.276 -0.471 -11.432 1.00 0.00 C ATOM 780 CD ARG A 51 3.101 0.973 -10.986 1.00 0.00 C ATOM 781 NE ARG A 51 3.554 1.922 -12.002 1.00 0.00 N ATOM 782 CZ ARG A 51 3.394 3.239 -11.906 1.00 0.00 C ATOM 783 NH1 ARG A 51 2.799 3.762 -10.843 1.00 0.00 N ATOM 784 NH2 ARG A 51 3.829 4.036 -12.875 1.00 0.00 N ATOM 0 H ARG A 51 0.941 -2.699 -12.117 1.00 0.00 H new ATOM 0 HA ARG A 51 3.686 -3.183 -11.118 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.591 -1.137 -10.292 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.133 -1.365 -9.492 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.338 -0.700 -11.520 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.838 -0.603 -12.421 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.051 1.158 -10.761 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.658 1.137 -10.064 1.00 0.00 H new ATOM 0 HE ARG A 51 4.019 1.553 -12.831 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.463 3.154 -10.096 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.678 4.772 -10.772 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.287 3.639 -13.695 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.705 5.046 -12.799 1.00 0.00 H new ATOM 798 N THR A 52 2.953 -4.664 -9.289 1.00 0.00 N ATOM 799 CA THR A 52 2.544 -5.588 -8.237 1.00 0.00 C ATOM 800 C THR A 52 3.585 -5.645 -7.124 1.00 0.00 C ATOM 801 O THR A 52 4.785 -5.716 -7.386 1.00 0.00 O ATOM 802 CB THR A 52 2.323 -7.010 -8.789 1.00 0.00 C ATOM 803 OG1 THR A 52 1.388 -6.973 -9.873 1.00 0.00 O ATOM 804 CG2 THR A 52 1.805 -7.939 -7.700 1.00 0.00 C ATOM 0 H THR A 52 3.933 -4.740 -9.560 1.00 0.00 H new ATOM 0 HA THR A 52 1.603 -5.213 -7.836 1.00 0.00 H new ATOM 0 HB THR A 52 3.280 -7.391 -9.145 1.00 0.00 H new ATOM 0 HG1 THR A 52 1.253 -7.880 -10.220 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.657 -8.937 -8.113 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.530 -7.987 -6.887 1.00 0.00 H new ATOM 0 HG23 THR A 52 0.857 -7.560 -7.319 1.00 0.00 H new ATOM 812 N GLY A 53 3.114 -5.615 -5.880 1.00 0.00 N ATOM 813 CA GLY A 53 4.017 -5.665 -4.744 1.00 0.00 C ATOM 814 C GLY A 53 3.398 -5.095 -3.484 1.00 0.00 C ATOM 815 O GLY A 53 2.209 -4.774 -3.457 1.00 0.00 O ATOM 0 H GLY A 53 2.125 -5.557 -5.639 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.312 -6.699 -4.564 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.925 -5.111 -4.981 1.00 0.00 H new ATOM 819 N TRP A 54 4.206 -4.970 -2.436 1.00 0.00 N ATOM 820 CA TRP A 54 3.734 -4.436 -1.165 1.00 0.00 C ATOM 821 C TRP A 54 3.701 -2.911 -1.190 1.00 0.00 C ATOM 822 O TRP A 54 4.387 -2.279 -1.995 1.00 0.00 O ATOM 823 CB TRP A 54 4.630 -4.917 -0.022 1.00 0.00 C ATOM 824 CG TRP A 54 4.575 -6.398 0.199 1.00 0.00 C ATOM 825 CD1 TRP A 54 5.284 -7.355 -0.470 1.00 0.00 C ATOM 826 CD2 TRP A 54 3.771 -7.092 1.159 1.00 0.00 C ATOM 827 NE1 TRP A 54 4.968 -8.601 0.015 1.00 0.00 N ATOM 828 CE2 TRP A 54 4.042 -8.466 1.016 1.00 0.00 C ATOM 829 CE3 TRP A 54 2.847 -6.685 2.126 1.00 0.00 C ATOM 830 CZ2 TRP A 54 3.423 -9.434 1.803 1.00 0.00 C ATOM 831 CZ3 TRP A 54 2.233 -7.646 2.907 1.00 0.00 C ATOM 832 CH2 TRP A 54 2.524 -9.006 2.742 1.00 0.00 C ATOM 0 H TRP A 54 5.192 -5.232 -2.443 1.00 0.00 H new ATOM 0 HA TRP A 54 2.719 -4.800 -1.003 1.00 0.00 H new ATOM 0 HB2 TRP A 54 5.660 -4.627 -0.232 1.00 0.00 H new ATOM 0 HB3 TRP A 54 4.337 -4.410 0.897 1.00 0.00 H new ATOM 0 HD1 TRP A 54 5.990 -7.161 -1.264 1.00 0.00 H new ATOM 0 HE1 TRP A 54 5.359 -9.483 -0.316 1.00 0.00 H new ATOM 0 HE3 TRP A 54 2.617 -5.638 2.260 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 3.644 -10.484 1.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.517 -7.343 3.657 1.00 0.00 H new ATOM 0 HH2 TRP A 54 2.028 -9.732 3.369 1.00 0.00 H new ATOM 843 N PHE A 55 2.901 -2.328 -0.306 1.00 0.00 N ATOM 844 CA PHE A 55 2.780 -0.877 -0.221 1.00 0.00 C ATOM 845 C PHE A 55 2.434 -0.446 1.204 1.00 0.00 C ATOM 846 O PHE A 55 1.657 -1.115 1.888 1.00 0.00 O ATOM 847 CB PHE A 55 1.722 -0.364 -1.203 1.00 0.00 C ATOM 848 CG PHE A 55 0.342 -0.913 -0.962 1.00 0.00 C ATOM 849 CD1 PHE A 55 -0.536 -0.271 -0.104 1.00 0.00 C ATOM 850 CD2 PHE A 55 -0.076 -2.069 -1.600 1.00 0.00 C ATOM 851 CE1 PHE A 55 -1.805 -0.772 0.115 1.00 0.00 C ATOM 852 CE2 PHE A 55 -1.344 -2.574 -1.386 1.00 0.00 C ATOM 853 CZ PHE A 55 -2.210 -1.926 -0.527 1.00 0.00 C ATOM 0 H PHE A 55 2.325 -2.838 0.364 1.00 0.00 H new ATOM 0 HA PHE A 55 3.742 -0.441 -0.490 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.684 0.724 -1.144 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.030 -0.617 -2.217 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.225 0.632 0.400 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.597 -2.581 -2.272 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -2.479 -0.262 0.787 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.658 -3.476 -1.891 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.201 -2.321 -0.358 1.00 0.00 H new ATOM 863 N PRO A 56 3.007 0.677 1.676 1.00 0.00 N ATOM 864 CA PRO A 56 2.751 1.182 3.030 1.00 0.00 C ATOM 865 C PRO A 56 1.277 1.493 3.265 1.00 0.00 C ATOM 866 O PRO A 56 0.552 1.849 2.337 1.00 0.00 O ATOM 867 CB PRO A 56 3.587 2.466 3.110 1.00 0.00 C ATOM 868 CG PRO A 56 3.882 2.833 1.697 1.00 0.00 C ATOM 869 CD PRO A 56 3.943 1.542 0.937 1.00 0.00 C ATOM 0 HA PRO A 56 3.013 0.444 3.788 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.039 3.261 3.616 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.505 2.303 3.674 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.108 3.486 1.294 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.826 3.374 1.623 1.00 0.00 H new ATOM 0 HD2 PRO A 56 3.639 1.671 -0.102 1.00 0.00 H new ATOM 0 HD3 PRO A 56 4.951 1.128 0.925 1.00 0.00 H new ATOM 877 N SER A 57 0.842 1.352 4.514 1.00 0.00 N ATOM 878 CA SER A 57 -0.545 1.619 4.876 1.00 0.00 C ATOM 879 C SER A 57 -0.721 3.065 5.328 1.00 0.00 C ATOM 880 O SER A 57 -1.831 3.596 5.328 1.00 0.00 O ATOM 881 CB SER A 57 -0.997 0.667 5.986 1.00 0.00 C ATOM 882 OG SER A 57 -2.321 0.954 6.398 1.00 0.00 O ATOM 0 H SER A 57 1.431 1.054 5.292 1.00 0.00 H new ATOM 0 HA SER A 57 -1.162 1.456 3.993 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.938 -0.362 5.632 1.00 0.00 H new ATOM 0 HB3 SER A 57 -0.322 0.750 6.838 1.00 0.00 H new ATOM 0 HG SER A 57 -2.863 0.139 6.348 1.00 0.00 H new ATOM 888 N ASN A 58 0.384 3.695 5.714 1.00 0.00 N ATOM 889 CA ASN A 58 0.355 5.081 6.170 1.00 0.00 C ATOM 890 C ASN A 58 0.456 6.048 4.994 1.00 0.00 C ATOM 891 O ASN A 58 0.211 7.245 5.140 1.00 0.00 O ATOM 892 CB ASN A 58 1.498 5.337 7.155 1.00 0.00 C ATOM 893 CG ASN A 58 1.417 4.446 8.379 1.00 0.00 C ATOM 894 OD1 ASN A 58 0.332 4.050 8.802 1.00 0.00 O ATOM 895 ND2 ASN A 58 2.571 4.125 8.954 1.00 0.00 N ATOM 0 H ASN A 58 1.310 3.268 5.720 1.00 0.00 H new ATOM 0 HA ASN A 58 -0.597 5.251 6.673 1.00 0.00 H new ATOM 0 HB2 ASN A 58 2.451 5.173 6.652 1.00 0.00 H new ATOM 0 HB3 ASN A 58 1.478 6.381 7.467 1.00 0.00 H new ATOM 0 HD21 ASN A 58 2.580 3.527 9.780 1.00 0.00 H new ATOM 0 HD22 ASN A 58 3.448 4.476 8.569 1.00 0.00 H new ATOM 902 N TYR A 59 0.819 5.523 3.827 1.00 0.00 N ATOM 903 CA TYR A 59 0.949 6.341 2.625 1.00 0.00 C ATOM 904 C TYR A 59 -0.323 6.282 1.786 1.00 0.00 C ATOM 905 O TYR A 59 -0.493 7.056 0.844 1.00 0.00 O ATOM 906 CB TYR A 59 2.141 5.875 1.790 1.00 0.00 C ATOM 907 CG TYR A 59 3.228 6.916 1.648 1.00 0.00 C ATOM 908 CD1 TYR A 59 3.915 7.384 2.761 1.00 0.00 C ATOM 909 CD2 TYR A 59 3.570 7.425 0.403 1.00 0.00 C ATOM 910 CE1 TYR A 59 4.912 8.334 2.636 1.00 0.00 C ATOM 911 CE2 TYR A 59 4.565 8.375 0.270 1.00 0.00 C ATOM 912 CZ TYR A 59 5.233 8.826 1.388 1.00 0.00 C ATOM 913 OH TYR A 59 6.225 9.771 1.260 1.00 0.00 O ATOM 0 H TYR A 59 1.028 4.534 3.688 1.00 0.00 H new ATOM 0 HA TYR A 59 1.112 7.373 2.937 1.00 0.00 H new ATOM 0 HB2 TYR A 59 2.565 4.980 2.246 1.00 0.00 H new ATOM 0 HB3 TYR A 59 1.790 5.592 0.798 1.00 0.00 H new ATOM 0 HD1 TYR A 59 3.667 7.000 3.739 1.00 0.00 H new ATOM 0 HD2 TYR A 59 3.050 7.073 -0.476 1.00 0.00 H new ATOM 0 HE1 TYR A 59 5.437 8.689 3.511 1.00 0.00 H new ATOM 0 HE2 TYR A 59 4.818 8.762 -0.706 1.00 0.00 H new ATOM 0 HH TYR A 59 6.328 10.011 0.316 1.00 0.00 H new ATOM 923 N VAL A 60 -1.209 5.358 2.133 1.00 0.00 N ATOM 924 CA VAL A 60 -2.466 5.192 1.414 1.00 0.00 C ATOM 925 C VAL A 60 -3.659 5.296 2.362 1.00 0.00 C ATOM 926 O VAL A 60 -3.499 5.241 3.581 1.00 0.00 O ATOM 927 CB VAL A 60 -2.508 3.838 0.680 1.00 0.00 C ATOM 928 CG1 VAL A 60 -1.455 3.794 -0.415 1.00 0.00 C ATOM 929 CG2 VAL A 60 -2.308 2.690 1.659 1.00 0.00 C ATOM 0 H VAL A 60 -1.080 4.710 2.910 1.00 0.00 H new ATOM 0 HA VAL A 60 -2.528 5.995 0.679 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.490 3.728 0.220 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -1.499 2.831 -0.923 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -1.643 4.592 -1.133 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -0.467 3.928 0.025 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -2.341 1.743 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -1.340 2.795 2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.099 2.709 2.409 1.00 0.00 H new ATOM 939 N ARG A 61 -4.854 5.446 1.797 1.00 0.00 N ATOM 940 CA ARG A 61 -6.069 5.563 2.598 1.00 0.00 C ATOM 941 C ARG A 61 -7.223 4.793 1.960 1.00 0.00 C ATOM 942 O ARG A 61 -7.394 4.811 0.740 1.00 0.00 O ATOM 943 CB ARG A 61 -6.456 7.034 2.771 1.00 0.00 C ATOM 944 CG ARG A 61 -6.753 7.745 1.462 1.00 0.00 C ATOM 945 CD ARG A 61 -7.084 9.212 1.686 1.00 0.00 C ATOM 946 NE ARG A 61 -8.215 9.387 2.594 1.00 0.00 N ATOM 947 CZ ARG A 61 -8.482 10.525 3.226 1.00 0.00 C ATOM 948 NH1 ARG A 61 -7.701 11.584 3.055 1.00 0.00 N ATOM 949 NH2 ARG A 61 -9.531 10.606 4.034 1.00 0.00 N ATOM 0 H ARG A 61 -5.007 5.489 0.789 1.00 0.00 H new ATOM 0 HA ARG A 61 -5.867 5.131 3.578 1.00 0.00 H new ATOM 0 HB2 ARG A 61 -7.333 7.096 3.415 1.00 0.00 H new ATOM 0 HB3 ARG A 61 -5.647 7.556 3.282 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -5.892 7.663 0.799 1.00 0.00 H new ATOM 0 HG3 ARG A 61 -7.588 7.255 0.962 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -6.211 9.722 2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -7.311 9.682 0.729 1.00 0.00 H new ATOM 0 HE ARG A 61 -8.834 8.592 2.752 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -6.892 11.527 2.436 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -7.910 12.456 3.542 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -10.133 9.794 4.171 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -9.735 11.480 4.519 1.00 0.00 H new ATOM 963 N GLU A 62 -8.009 4.116 2.794 1.00 0.00 N ATOM 964 CA GLU A 62 -9.146 3.332 2.318 1.00 0.00 C ATOM 965 C GLU A 62 -10.092 4.180 1.471 1.00 0.00 C ATOM 966 O GLU A 62 -10.758 5.082 1.981 1.00 0.00 O ATOM 967 CB GLU A 62 -9.908 2.734 3.502 1.00 0.00 C ATOM 968 CG GLU A 62 -11.079 1.858 3.090 1.00 0.00 C ATOM 969 CD GLU A 62 -11.859 1.327 4.277 1.00 0.00 C ATOM 970 OE1 GLU A 62 -11.446 0.295 4.845 1.00 0.00 O ATOM 971 OE2 GLU A 62 -12.883 1.944 4.637 1.00 0.00 O ATOM 0 H GLU A 62 -7.879 4.095 3.805 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.757 2.528 1.693 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -9.219 2.145 4.107 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -10.275 3.543 4.134 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -11.748 2.431 2.448 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -10.710 1.020 2.499 1.00 0.00 H new ATOM 978 N VAL A 63 -10.145 3.884 0.176 1.00 0.00 N ATOM 979 CA VAL A 63 -11.018 4.611 -0.738 1.00 0.00 C ATOM 980 C VAL A 63 -12.275 3.803 -1.052 1.00 0.00 C ATOM 981 O VAL A 63 -12.223 2.577 -1.165 1.00 0.00 O ATOM 982 CB VAL A 63 -10.296 4.957 -2.057 1.00 0.00 C ATOM 983 CG1 VAL A 63 -9.917 3.693 -2.813 1.00 0.00 C ATOM 984 CG2 VAL A 63 -11.161 5.864 -2.920 1.00 0.00 C ATOM 0 H VAL A 63 -9.594 3.146 -0.263 1.00 0.00 H new ATOM 0 HA VAL A 63 -11.299 5.538 -0.238 1.00 0.00 H new ATOM 0 HB VAL A 63 -9.378 5.492 -1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -9.409 3.962 -3.739 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -9.252 3.086 -2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -10.817 3.124 -3.045 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -10.634 6.096 -3.845 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -12.098 5.359 -3.153 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -11.371 6.787 -2.380 1.00 0.00 H new ATOM 994 N LYS A 64 -13.401 4.498 -1.188 1.00 0.00 N ATOM 995 CA LYS A 64 -14.678 3.854 -1.490 1.00 0.00 C ATOM 996 C LYS A 64 -15.052 2.842 -0.410 1.00 0.00 C ATOM 997 O LYS A 64 -14.609 1.694 -0.439 1.00 0.00 O ATOM 998 CB LYS A 64 -14.620 3.164 -2.855 1.00 0.00 C ATOM 999 CG LYS A 64 -15.966 2.639 -3.330 1.00 0.00 C ATOM 1000 CD LYS A 64 -15.852 1.943 -4.677 1.00 0.00 C ATOM 1001 CE LYS A 64 -17.222 1.616 -5.251 1.00 0.00 C ATOM 1002 NZ LYS A 64 -18.004 0.725 -4.351 1.00 0.00 N ATOM 0 H LYS A 64 -13.456 5.512 -1.093 1.00 0.00 H new ATOM 0 HA LYS A 64 -15.445 4.628 -1.516 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -14.233 3.868 -3.592 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -13.914 2.335 -2.804 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -16.366 1.943 -2.593 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -16.673 3.465 -3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -15.307 2.581 -5.373 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -15.274 1.026 -4.566 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.776 2.540 -5.417 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -17.103 1.136 -6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.887 0.444 -4.822 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -17.444 -0.123 -4.131 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -18.227 1.231 -3.470 1.00 0.00 H new ATOM 1016 N ALA A 65 -15.870 3.278 0.543 1.00 0.00 N ATOM 1017 CA ALA A 65 -16.304 2.411 1.634 1.00 0.00 C ATOM 1018 C ALA A 65 -17.442 1.498 1.193 1.00 0.00 C ATOM 1019 O ALA A 65 -17.155 0.362 0.760 1.00 0.00 O ATOM 1020 CB ALA A 65 -16.726 3.245 2.835 1.00 0.00 C ATOM 1021 OXT ALA A 65 -18.614 1.925 1.285 1.00 0.00 O ATOM 0 H ALA A 65 -16.246 4.226 0.582 1.00 0.00 H new ATOM 0 HA ALA A 65 -15.462 1.782 1.921 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -17.047 2.585 3.641 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -15.883 3.848 3.173 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -17.550 3.900 2.552 1.00 0.00 H new TER 1027 ALA A 65 ATOM 1028 N ASP B 183 -4.448 21.989 7.080 1.00 0.00 N ATOM 1029 CA ASP B 183 -5.464 21.333 6.217 1.00 0.00 C ATOM 1030 C ASP B 183 -5.169 19.844 6.063 1.00 0.00 C ATOM 1031 O ASP B 183 -6.042 19.004 6.281 1.00 0.00 O ATOM 1032 CB ASP B 183 -5.500 22.000 4.840 1.00 0.00 C ATOM 1033 CG ASP B 183 -6.529 21.372 3.920 1.00 0.00 C ATOM 1034 OD1 ASP B 183 -7.704 21.793 3.970 1.00 0.00 O ATOM 1035 OD2 ASP B 183 -6.160 20.460 3.152 1.00 0.00 O ATOM 0 HA ASP B 183 -6.437 21.445 6.695 1.00 0.00 H new ATOM 0 HB2 ASP B 183 -5.722 23.061 4.959 1.00 0.00 H new ATOM 0 HB3 ASP B 183 -4.514 21.930 4.380 1.00 0.00 H new ATOM 1042 N ALA B 184 -3.934 19.524 5.689 1.00 0.00 N ATOM 1043 CA ALA B 184 -3.527 18.136 5.502 1.00 0.00 C ATOM 1044 C ALA B 184 -3.007 17.533 6.804 1.00 0.00 C ATOM 1045 O ALA B 184 -2.626 18.255 7.727 1.00 0.00 O ATOM 1046 CB ALA B 184 -2.469 18.039 4.414 1.00 0.00 C ATOM 0 H ALA B 184 -3.198 20.207 5.510 1.00 0.00 H new ATOM 0 HA ALA B 184 -4.403 17.566 5.194 1.00 0.00 H new ATOM 0 HB1 ALA B 184 -2.174 16.998 4.285 1.00 0.00 H new ATOM 0 HB2 ALA B 184 -2.875 18.420 3.477 1.00 0.00 H new ATOM 0 HB3 ALA B 184 -1.598 18.630 4.699 1.00 0.00 H new ATOM 1052 N THR B 185 -2.993 16.205 6.868 1.00 0.00 N ATOM 1053 CA THR B 185 -2.522 15.499 8.054 1.00 0.00 C ATOM 1054 C THR B 185 -1.439 14.480 7.692 1.00 0.00 C ATOM 1055 O THR B 185 -1.735 13.307 7.470 1.00 0.00 O ATOM 1056 CB THR B 185 -3.678 14.774 8.770 1.00 0.00 C ATOM 1057 OG1 THR B 185 -4.693 15.716 9.138 1.00 0.00 O ATOM 1058 CG2 THR B 185 -3.180 14.047 10.011 1.00 0.00 C ATOM 0 H THR B 185 -3.303 15.596 6.111 1.00 0.00 H new ATOM 0 HA THR B 185 -2.102 16.248 8.726 1.00 0.00 H new ATOM 0 HB THR B 185 -4.095 14.038 8.083 1.00 0.00 H new ATOM 0 HG1 THR B 185 -5.425 15.248 9.591 1.00 0.00 H new ATOM 0 HG21 THR B 185 -4.015 13.544 10.498 1.00 0.00 H new ATOM 0 HG22 THR B 185 -2.430 13.310 9.724 1.00 0.00 H new ATOM 0 HG23 THR B 185 -2.738 14.766 10.701 1.00 0.00 H new ATOM 1066 N PRO B 186 -0.168 14.918 7.621 1.00 0.00 N ATOM 1067 CA PRO B 186 0.959 14.038 7.281 1.00 0.00 C ATOM 1068 C PRO B 186 1.235 12.989 8.360 1.00 0.00 C ATOM 1069 O PRO B 186 1.711 13.324 9.446 1.00 0.00 O ATOM 1070 CB PRO B 186 2.154 14.997 7.161 1.00 0.00 C ATOM 1071 CG PRO B 186 1.560 16.363 7.076 1.00 0.00 C ATOM 1072 CD PRO B 186 0.278 16.301 7.850 1.00 0.00 C ATOM 0 HA PRO B 186 0.757 13.470 6.373 1.00 0.00 H new ATOM 0 HB2 PRO B 186 2.816 14.909 8.023 1.00 0.00 H new ATOM 0 HB3 PRO B 186 2.751 14.772 6.277 1.00 0.00 H new ATOM 0 HG2 PRO B 186 2.234 17.109 7.496 1.00 0.00 H new ATOM 0 HG3 PRO B 186 1.377 16.646 6.039 1.00 0.00 H new ATOM 0 HD2 PRO B 186 0.433 16.507 8.909 1.00 0.00 H new ATOM 0 HD3 PRO B 186 -0.450 17.027 7.488 1.00 0.00 H new ATOM 1080 N PRO B 187 0.937 11.704 8.080 1.00 0.00 N ATOM 1081 CA PRO B 187 1.167 10.615 9.022 1.00 0.00 C ATOM 1082 C PRO B 187 2.562 10.014 8.859 1.00 0.00 C ATOM 1083 O PRO B 187 3.275 10.355 7.915 1.00 0.00 O ATOM 1084 CB PRO B 187 0.096 9.607 8.617 1.00 0.00 C ATOM 1085 CG PRO B 187 -0.041 9.778 7.139 1.00 0.00 C ATOM 1086 CD PRO B 187 0.347 11.205 6.822 1.00 0.00 C ATOM 0 HA PRO B 187 1.112 10.930 10.064 1.00 0.00 H new ATOM 0 HB2 PRO B 187 0.392 8.590 8.873 1.00 0.00 H new ATOM 0 HB3 PRO B 187 -0.847 9.803 9.128 1.00 0.00 H new ATOM 0 HG2 PRO B 187 0.602 9.076 6.608 1.00 0.00 H new ATOM 0 HG3 PRO B 187 -1.064 9.576 6.820 1.00 0.00 H new ATOM 0 HD2 PRO B 187 1.062 11.251 6.000 1.00 0.00 H new ATOM 0 HD3 PRO B 187 -0.519 11.797 6.525 1.00 0.00 H new ATOM 1094 N PRO B 188 2.982 9.120 9.779 1.00 0.00 N ATOM 1095 CA PRO B 188 4.296 8.476 9.704 1.00 0.00 C ATOM 1096 C PRO B 188 4.622 8.002 8.294 1.00 0.00 C ATOM 1097 O PRO B 188 4.041 7.032 7.804 1.00 0.00 O ATOM 1098 CB PRO B 188 4.152 7.291 10.654 1.00 0.00 C ATOM 1099 CG PRO B 188 3.177 7.756 11.680 1.00 0.00 C ATOM 1100 CD PRO B 188 2.220 8.675 10.964 1.00 0.00 C ATOM 0 HA PRO B 188 5.108 9.154 9.967 1.00 0.00 H new ATOM 0 HB2 PRO B 188 3.788 6.405 10.133 1.00 0.00 H new ATOM 0 HB3 PRO B 188 5.108 7.025 11.106 1.00 0.00 H new ATOM 0 HG2 PRO B 188 2.648 6.913 12.125 1.00 0.00 H new ATOM 0 HG3 PRO B 188 3.685 8.278 12.491 1.00 0.00 H new ATOM 0 HD2 PRO B 188 1.304 8.157 10.680 1.00 0.00 H new ATOM 0 HD3 PRO B 188 1.928 9.517 11.592 1.00 0.00 H new ATOM 1108 N VAL B 189 5.549 8.699 7.644 1.00 0.00 N ATOM 1109 CA VAL B 189 5.950 8.368 6.281 1.00 0.00 C ATOM 1110 C VAL B 189 6.258 6.881 6.122 1.00 0.00 C ATOM 1111 O VAL B 189 7.233 6.373 6.675 1.00 0.00 O ATOM 1112 CB VAL B 189 7.178 9.192 5.844 1.00 0.00 C ATOM 1113 CG1 VAL B 189 6.775 10.626 5.540 1.00 0.00 C ATOM 1114 CG2 VAL B 189 8.258 9.156 6.915 1.00 0.00 C ATOM 0 H VAL B 189 6.039 9.500 8.042 1.00 0.00 H new ATOM 0 HA VAL B 189 5.104 8.617 5.641 1.00 0.00 H new ATOM 0 HB VAL B 189 7.584 8.747 4.935 1.00 0.00 H new ATOM 0 HG11 VAL B 189 7.654 11.194 5.233 1.00 0.00 H new ATOM 0 HG12 VAL B 189 6.039 10.634 4.736 1.00 0.00 H new ATOM 0 HG13 VAL B 189 6.343 11.080 6.432 1.00 0.00 H new ATOM 0 HG21 VAL B 189 9.116 9.743 6.587 1.00 0.00 H new ATOM 0 HG22 VAL B 189 7.865 9.574 7.842 1.00 0.00 H new ATOM 0 HG23 VAL B 189 8.568 8.125 7.085 1.00 0.00 H new ATOM 1124 N ILE B 190 5.405 6.193 5.363 1.00 0.00 N ATOM 1125 CA ILE B 190 5.568 4.765 5.101 1.00 0.00 C ATOM 1126 C ILE B 190 5.410 3.935 6.373 1.00 0.00 C ATOM 1127 O ILE B 190 5.784 4.366 7.464 1.00 0.00 O ATOM 1128 CB ILE B 190 6.937 4.465 4.458 1.00 0.00 C ATOM 1129 CG1 ILE B 190 7.181 5.418 3.283 1.00 0.00 C ATOM 1130 CG2 ILE B 190 7.004 3.014 4.000 1.00 0.00 C ATOM 1131 CD1 ILE B 190 8.529 5.238 2.618 1.00 0.00 C ATOM 0 H ILE B 190 4.587 6.607 4.916 1.00 0.00 H new ATOM 0 HA ILE B 190 4.779 4.484 4.403 1.00 0.00 H new ATOM 0 HB ILE B 190 7.719 4.621 5.201 1.00 0.00 H new ATOM 0 HG12 ILE B 190 6.397 5.271 2.540 1.00 0.00 H new ATOM 0 HG13 ILE B 190 7.096 6.445 3.637 1.00 0.00 H new ATOM 0 HG21 ILE B 190 7.977 2.820 3.549 1.00 0.00 H new ATOM 0 HG22 ILE B 190 6.863 2.355 4.857 1.00 0.00 H new ATOM 0 HG23 ILE B 190 6.220 2.827 3.266 1.00 0.00 H new ATOM 0 HD11 ILE B 190 8.627 5.948 1.796 1.00 0.00 H new ATOM 0 HD12 ILE B 190 9.320 5.415 3.346 1.00 0.00 H new ATOM 0 HD13 ILE B 190 8.611 4.222 2.232 1.00 0.00 H new ATOM 1143 N ALA B 191 4.846 2.739 6.220 1.00 0.00 N ATOM 1144 CA ALA B 191 4.630 1.838 7.347 1.00 0.00 C ATOM 1145 C ALA B 191 5.952 1.463 8.015 1.00 0.00 C ATOM 1146 O ALA B 191 7.005 1.496 7.378 1.00 0.00 O ATOM 1147 CB ALA B 191 3.899 0.586 6.882 1.00 0.00 C ATOM 0 H ALA B 191 4.530 2.371 5.323 1.00 0.00 H new ATOM 0 HA ALA B 191 4.017 2.356 8.084 1.00 0.00 H new ATOM 0 HB1 ALA B 191 3.743 -0.080 7.730 1.00 0.00 H new ATOM 0 HB2 ALA B 191 2.935 0.864 6.457 1.00 0.00 H new ATOM 0 HB3 ALA B 191 4.496 0.076 6.126 1.00 0.00 H new ATOM 1153 N PRO B 192 5.915 1.100 9.312 1.00 0.00 N ATOM 1154 CA PRO B 192 7.119 0.719 10.058 1.00 0.00 C ATOM 1155 C PRO B 192 7.704 -0.606 9.579 1.00 0.00 C ATOM 1156 O PRO B 192 7.060 -1.350 8.839 1.00 0.00 O ATOM 1157 CB PRO B 192 6.619 0.589 11.499 1.00 0.00 C ATOM 1158 CG PRO B 192 5.168 0.284 11.368 1.00 0.00 C ATOM 1159 CD PRO B 192 4.703 1.036 10.153 1.00 0.00 C ATOM 0 HA PRO B 192 7.921 1.447 9.933 1.00 0.00 H new ATOM 0 HB2 PRO B 192 7.144 -0.204 12.031 1.00 0.00 H new ATOM 0 HB3 PRO B 192 6.781 1.510 12.059 1.00 0.00 H new ATOM 0 HG2 PRO B 192 5.002 -0.787 11.253 1.00 0.00 H new ATOM 0 HG3 PRO B 192 4.620 0.598 12.256 1.00 0.00 H new ATOM 0 HD2 PRO B 192 3.888 0.519 9.647 1.00 0.00 H new ATOM 0 HD3 PRO B 192 4.338 2.030 10.410 1.00 0.00 H new ATOM 1167 N ARG B 193 8.930 -0.893 10.007 1.00 0.00 N ATOM 1168 CA ARG B 193 9.605 -2.128 9.630 1.00 0.00 C ATOM 1169 C ARG B 193 10.317 -2.750 10.833 1.00 0.00 C ATOM 1170 O ARG B 193 11.541 -2.673 10.950 1.00 0.00 O ATOM 1171 CB ARG B 193 10.604 -1.866 8.498 1.00 0.00 C ATOM 1172 CG ARG B 193 11.531 -0.688 8.759 1.00 0.00 C ATOM 1173 CD ARG B 193 12.454 -0.436 7.577 1.00 0.00 C ATOM 1174 NE ARG B 193 13.372 0.671 7.826 1.00 0.00 N ATOM 1175 CZ ARG B 193 14.291 1.078 6.954 1.00 0.00 C ATOM 1176 NH1 ARG B 193 14.414 0.470 5.782 1.00 0.00 N ATOM 1177 NH2 ARG B 193 15.088 2.095 7.254 1.00 0.00 N ATOM 0 H ARG B 193 9.476 -0.284 10.617 1.00 0.00 H new ATOM 0 HA ARG B 193 8.852 -2.833 9.277 1.00 0.00 H new ATOM 0 HB2 ARG B 193 11.205 -2.762 8.341 1.00 0.00 H new ATOM 0 HB3 ARG B 193 10.054 -1.686 7.574 1.00 0.00 H new ATOM 0 HG2 ARG B 193 10.939 0.206 8.958 1.00 0.00 H new ATOM 0 HG3 ARG B 193 12.125 -0.882 9.652 1.00 0.00 H new ATOM 0 HD2 ARG B 193 13.025 -1.340 7.364 1.00 0.00 H new ATOM 0 HD3 ARG B 193 11.857 -0.220 6.691 1.00 0.00 H new ATOM 0 HE ARG B 193 13.305 1.160 8.719 1.00 0.00 H new ATOM 0 HH11 ARG B 193 13.803 -0.312 5.547 1.00 0.00 H new ATOM 0 HH12 ARG B 193 15.119 0.785 5.116 1.00 0.00 H new ATOM 0 HH21 ARG B 193 14.997 2.566 8.154 1.00 0.00 H new ATOM 0 HH22 ARG B 193 15.792 2.406 6.585 1.00 0.00 H new ATOM 1191 N PRO B 194 9.553 -3.371 11.752 1.00 0.00 N ATOM 1192 CA PRO B 194 10.114 -4.006 12.953 1.00 0.00 C ATOM 1193 C PRO B 194 11.065 -5.152 12.620 1.00 0.00 C ATOM 1194 O PRO B 194 11.352 -5.418 11.451 1.00 0.00 O ATOM 1195 CB PRO B 194 8.882 -4.535 13.700 1.00 0.00 C ATOM 1196 CG PRO B 194 7.728 -3.781 13.132 1.00 0.00 C ATOM 1197 CD PRO B 194 8.086 -3.499 11.703 1.00 0.00 C ATOM 0 HA PRO B 194 10.709 -3.302 13.535 1.00 0.00 H new ATOM 0 HB2 PRO B 194 8.762 -5.608 13.552 1.00 0.00 H new ATOM 0 HB3 PRO B 194 8.971 -4.369 14.774 1.00 0.00 H new ATOM 0 HG2 PRO B 194 6.810 -4.365 13.197 1.00 0.00 H new ATOM 0 HG3 PRO B 194 7.557 -2.856 13.682 1.00 0.00 H new ATOM 0 HD2 PRO B 194 7.773 -4.306 11.041 1.00 0.00 H new ATOM 0 HD3 PRO B 194 7.612 -2.587 11.340 1.00 0.00 H new ATOM 1205 N GLU B 195 11.553 -5.829 13.657 1.00 0.00 N ATOM 1206 CA GLU B 195 12.472 -6.948 13.480 1.00 0.00 C ATOM 1207 C GLU B 195 11.715 -8.223 13.116 1.00 0.00 C ATOM 1208 O GLU B 195 10.564 -8.407 13.515 1.00 0.00 O ATOM 1209 CB GLU B 195 13.287 -7.169 14.758 1.00 0.00 C ATOM 1210 CG GLU B 195 14.362 -8.235 14.623 1.00 0.00 C ATOM 1211 CD GLU B 195 15.242 -8.336 15.853 1.00 0.00 C ATOM 1212 OE1 GLU B 195 14.871 -9.075 16.790 1.00 0.00 O ATOM 1213 OE2 GLU B 195 16.301 -7.675 15.881 1.00 0.00 O ATOM 0 H GLU B 195 11.326 -5.621 14.629 1.00 0.00 H new ATOM 0 HA GLU B 195 13.150 -6.706 12.661 1.00 0.00 H new ATOM 0 HB2 GLU B 195 13.756 -6.228 15.046 1.00 0.00 H new ATOM 0 HB3 GLU B 195 12.610 -7.449 15.566 1.00 0.00 H new ATOM 0 HG2 GLU B 195 13.890 -9.200 14.438 1.00 0.00 H new ATOM 0 HG3 GLU B 195 14.982 -8.012 13.755 1.00 0.00 H new ATOM 1220 N HIS B 196 12.369 -9.097 12.354 1.00 0.00 N ATOM 1221 CA HIS B 196 11.765 -10.357 11.928 1.00 0.00 C ATOM 1222 C HIS B 196 10.497 -10.111 11.115 1.00 0.00 C ATOM 1223 O HIS B 196 9.702 -11.025 10.894 1.00 0.00 O ATOM 1224 CB HIS B 196 11.444 -11.236 13.140 1.00 0.00 C ATOM 1225 CG HIS B 196 12.651 -11.639 13.929 1.00 0.00 C ATOM 1226 ND1 HIS B 196 12.782 -11.392 15.279 1.00 0.00 N ATOM 1227 CD2 HIS B 196 13.784 -12.281 13.555 1.00 0.00 C ATOM 1228 CE1 HIS B 196 13.942 -11.863 15.701 1.00 0.00 C ATOM 1229 NE2 HIS B 196 14.567 -12.409 14.675 1.00 0.00 N ATOM 0 H HIS B 196 13.321 -8.955 12.018 1.00 0.00 H new ATOM 0 HA HIS B 196 12.486 -10.874 11.295 1.00 0.00 H new ATOM 0 HB2 HIS B 196 10.756 -10.700 13.794 1.00 0.00 H new ATOM 0 HB3 HIS B 196 10.927 -12.133 12.800 1.00 0.00 H new ATOM 0 HD2 HIS B 196 14.026 -12.627 12.561 1.00 0.00 H new ATOM 0 HE1 HIS B 196 14.315 -11.810 16.713 1.00 0.00 H new ATOM 0 HE2 HIS B 196 15.484 -12.854 14.709 1.00 0.00 H new ATOM 1238 N THR B 197 10.313 -8.871 10.667 1.00 0.00 N ATOM 1239 CA THR B 197 9.141 -8.508 9.879 1.00 0.00 C ATOM 1240 C THR B 197 9.547 -7.786 8.599 1.00 0.00 C ATOM 1241 O THR B 197 10.519 -7.032 8.583 1.00 0.00 O ATOM 1242 CB THR B 197 8.180 -7.609 10.679 1.00 0.00 C ATOM 1243 OG1 THR B 197 7.896 -8.204 11.949 1.00 0.00 O ATOM 1244 CG2 THR B 197 6.880 -7.392 9.918 1.00 0.00 C ATOM 0 H THR B 197 10.961 -8.102 10.837 1.00 0.00 H new ATOM 0 HA THR B 197 8.629 -9.436 9.626 1.00 0.00 H new ATOM 0 HB THR B 197 8.663 -6.643 10.828 1.00 0.00 H new ATOM 0 HG1 THR B 197 8.705 -8.195 12.503 1.00 0.00 H new ATOM 0 HG21 THR B 197 6.218 -6.754 10.503 1.00 0.00 H new ATOM 0 HG22 THR B 197 7.093 -6.913 8.962 1.00 0.00 H new ATOM 0 HG23 THR B 197 6.396 -8.353 9.743 1.00 0.00 H new ATOM 1252 N LYS B 198 8.789 -8.025 7.529 1.00 0.00 N ATOM 1253 CA LYS B 198 9.061 -7.404 6.234 1.00 0.00 C ATOM 1254 C LYS B 198 10.440 -7.798 5.715 1.00 0.00 C ATOM 1255 O LYS B 198 11.461 -7.313 6.202 1.00 0.00 O ATOM 1256 CB LYS B 198 8.951 -5.878 6.340 1.00 0.00 C ATOM 1257 CG LYS B 198 9.131 -5.153 5.014 1.00 0.00 C ATOM 1258 CD LYS B 198 8.096 -5.589 3.989 1.00 0.00 C ATOM 1259 CE LYS B 198 8.182 -4.759 2.718 1.00 0.00 C ATOM 1260 NZ LYS B 198 7.260 -5.262 1.663 1.00 0.00 N ATOM 0 H LYS B 198 7.980 -8.646 7.534 1.00 0.00 H new ATOM 0 HA LYS B 198 8.315 -7.764 5.525 1.00 0.00 H new ATOM 0 HB2 LYS B 198 7.976 -5.622 6.753 1.00 0.00 H new ATOM 0 HB3 LYS B 198 9.701 -5.518 7.045 1.00 0.00 H new ATOM 0 HG2 LYS B 198 9.054 -4.078 5.174 1.00 0.00 H new ATOM 0 HG3 LYS B 198 10.131 -5.347 4.626 1.00 0.00 H new ATOM 0 HD2 LYS B 198 8.244 -6.642 3.747 1.00 0.00 H new ATOM 0 HD3 LYS B 198 7.098 -5.497 4.417 1.00 0.00 H new ATOM 0 HE2 LYS B 198 7.941 -3.721 2.946 1.00 0.00 H new ATOM 0 HE3 LYS B 198 9.205 -4.774 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS B 198 7.456 -4.770 0.768 1.00 0.00 H new ATOM 0 HZ2 LYS B 198 7.403 -6.284 1.535 1.00 0.00 H new ATOM 0 HZ3 LYS B 198 6.276 -5.083 1.948 1.00 0.00 H new ATOM 1274 N SER B 199 10.460 -8.684 4.724 1.00 0.00 N ATOM 1275 CA SER B 199 11.712 -9.152 4.136 1.00 0.00 C ATOM 1276 C SER B 199 12.514 -7.992 3.554 1.00 0.00 C ATOM 1277 O SER B 199 11.947 -6.989 3.116 1.00 0.00 O ATOM 1278 CB SER B 199 11.433 -10.186 3.045 1.00 0.00 C ATOM 1279 OG SER B 199 10.750 -11.312 3.571 1.00 0.00 O ATOM 0 H SER B 199 9.622 -9.093 4.310 1.00 0.00 H new ATOM 0 HA SER B 199 12.300 -9.615 4.928 1.00 0.00 H new ATOM 0 HB2 SER B 199 10.837 -9.732 2.254 1.00 0.00 H new ATOM 0 HB3 SER B 199 12.372 -10.505 2.593 1.00 0.00 H new ATOM 0 HG SER B 199 10.582 -11.957 2.853 1.00 0.00 H new ATOM 1285 N VAL B 200 13.835 -8.137 3.554 1.00 0.00 N ATOM 1286 CA VAL B 200 14.720 -7.104 3.026 1.00 0.00 C ATOM 1287 C VAL B 200 15.200 -7.465 1.622 1.00 0.00 C ATOM 1288 O VAL B 200 15.928 -6.703 0.985 1.00 0.00 O ATOM 1289 CB VAL B 200 15.943 -6.891 3.943 1.00 0.00 C ATOM 1290 CG1 VAL B 200 16.630 -5.569 3.631 1.00 0.00 C ATOM 1291 CG2 VAL B 200 15.531 -6.951 5.406 1.00 0.00 C ATOM 0 H VAL B 200 14.317 -8.961 3.914 1.00 0.00 H new ATOM 0 HA VAL B 200 14.146 -6.178 2.984 1.00 0.00 H new ATOM 0 HB VAL B 200 16.655 -7.695 3.754 1.00 0.00 H new ATOM 0 HG11 VAL B 200 17.489 -5.441 4.290 1.00 0.00 H new ATOM 0 HG12 VAL B 200 16.965 -5.569 2.594 1.00 0.00 H new ATOM 0 HG13 VAL B 200 15.929 -4.749 3.786 1.00 0.00 H new ATOM 0 HG21 VAL B 200 16.407 -6.799 6.037 1.00 0.00 H new ATOM 0 HG22 VAL B 200 14.797 -6.171 5.610 1.00 0.00 H new ATOM 0 HG23 VAL B 200 15.094 -7.926 5.621 1.00 0.00 H new ATOM 1301 N TYR B 201 14.782 -8.635 1.144 1.00 0.00 N ATOM 1302 CA TYR B 201 15.165 -9.100 -0.185 1.00 0.00 C ATOM 1303 C TYR B 201 14.147 -8.656 -1.231 1.00 0.00 C ATOM 1304 O TYR B 201 14.318 -8.910 -2.423 1.00 0.00 O ATOM 1305 CB TYR B 201 15.291 -10.623 -0.199 1.00 0.00 C ATOM 1306 CG TYR B 201 16.378 -11.151 0.708 1.00 0.00 C ATOM 1307 CD1 TYR B 201 17.688 -11.258 0.262 1.00 0.00 C ATOM 1308 CD2 TYR B 201 16.095 -11.543 2.011 1.00 0.00 C ATOM 1309 CE1 TYR B 201 18.687 -11.740 1.086 1.00 0.00 C ATOM 1310 CE2 TYR B 201 17.088 -12.027 2.842 1.00 0.00 C ATOM 1311 CZ TYR B 201 18.382 -12.123 2.374 1.00 0.00 C ATOM 1312 OH TYR B 201 19.374 -12.602 3.199 1.00 0.00 O ATOM 0 H TYR B 201 14.178 -9.277 1.658 1.00 0.00 H new ATOM 0 HA TYR B 201 16.131 -8.659 -0.431 1.00 0.00 H new ATOM 0 HB2 TYR B 201 14.338 -11.060 0.098 1.00 0.00 H new ATOM 0 HB3 TYR B 201 15.489 -10.953 -1.219 1.00 0.00 H new ATOM 0 HD1 TYR B 201 17.931 -10.959 -0.747 1.00 0.00 H new ATOM 0 HD2 TYR B 201 15.083 -11.468 2.380 1.00 0.00 H new ATOM 0 HE1 TYR B 201 19.701 -11.816 0.723 1.00 0.00 H new ATOM 0 HE2 TYR B 201 16.852 -12.328 3.852 1.00 0.00 H new ATOM 0 HH TYR B 201 18.992 -12.826 4.073 1.00 0.00 H new ATOM 1322 N THR B 202 13.088 -7.993 -0.776 1.00 0.00 N ATOM 1323 CA THR B 202 12.040 -7.519 -1.671 1.00 0.00 C ATOM 1324 C THR B 202 12.425 -6.193 -2.320 1.00 0.00 C ATOM 1325 O THR B 202 11.626 -5.585 -3.031 1.00 0.00 O ATOM 1326 CB THR B 202 10.703 -7.342 -0.925 1.00 0.00 C ATOM 1327 OG1 THR B 202 10.838 -6.346 0.095 1.00 0.00 O ATOM 1328 CG2 THR B 202 10.257 -8.656 -0.299 1.00 0.00 C ATOM 0 H THR B 202 12.934 -7.772 0.208 1.00 0.00 H new ATOM 0 HA THR B 202 11.920 -8.277 -2.445 1.00 0.00 H new ATOM 0 HB THR B 202 9.950 -7.024 -1.645 1.00 0.00 H new ATOM 0 HG1 THR B 202 11.154 -6.766 0.922 1.00 0.00 H new ATOM 0 HG21 THR B 202 9.311 -8.508 0.222 1.00 0.00 H new ATOM 0 HG22 THR B 202 10.128 -9.406 -1.080 1.00 0.00 H new ATOM 0 HG23 THR B 202 11.012 -8.997 0.409 1.00 0.00 H new ATOM 1336 N ARG B 203 13.654 -5.752 -2.073 1.00 0.00 N ATOM 1337 CA ARG B 203 14.145 -4.501 -2.636 1.00 0.00 C ATOM 1338 C ARG B 203 15.624 -4.609 -2.995 1.00 0.00 C ATOM 1339 O ARG B 203 16.322 -5.509 -2.527 1.00 0.00 O ATOM 1340 CB ARG B 203 13.930 -3.352 -1.648 1.00 0.00 C ATOM 1341 CG ARG B 203 14.592 -3.577 -0.298 1.00 0.00 C ATOM 1342 CD ARG B 203 14.403 -2.381 0.619 1.00 0.00 C ATOM 1343 NE ARG B 203 14.987 -2.603 1.939 1.00 0.00 N ATOM 1344 CZ ARG B 203 15.038 -1.673 2.888 1.00 0.00 C ATOM 1345 NH1 ARG B 203 14.549 -0.462 2.660 1.00 0.00 N ATOM 1346 NH2 ARG B 203 15.581 -1.951 4.066 1.00 0.00 N ATOM 0 H ARG B 203 14.328 -6.243 -1.486 1.00 0.00 H new ATOM 0 HA ARG B 203 13.582 -4.297 -3.547 1.00 0.00 H new ATOM 0 HB2 ARG B 203 14.318 -2.432 -2.084 1.00 0.00 H new ATOM 0 HB3 ARG B 203 12.860 -3.208 -1.499 1.00 0.00 H new ATOM 0 HG2 ARG B 203 14.172 -4.467 0.171 1.00 0.00 H new ATOM 0 HG3 ARG B 203 15.656 -3.764 -0.440 1.00 0.00 H new ATOM 0 HD2 ARG B 203 14.859 -1.501 0.165 1.00 0.00 H new ATOM 0 HD3 ARG B 203 13.339 -2.170 0.725 1.00 0.00 H new ATOM 0 HE ARG B 203 15.378 -3.523 2.144 1.00 0.00 H new ATOM 0 HH11 ARG B 203 14.133 -0.242 1.755 1.00 0.00 H new ATOM 0 HH12 ARG B 203 14.589 0.250 3.389 1.00 0.00 H new ATOM 0 HH21 ARG B 203 15.961 -2.880 4.246 1.00 0.00 H new ATOM 0 HH22 ARG B 203 15.619 -1.235 4.792 1.00 0.00 H new ATOM 1360 N SER B 204 16.095 -3.686 -3.829 1.00 0.00 N ATOM 1361 CA SER B 204 17.491 -3.677 -4.250 1.00 0.00 C ATOM 1362 C SER B 204 18.354 -2.909 -3.253 1.00 0.00 C ATOM 1363 O SER B 204 18.461 -1.673 -3.392 1.00 0.00 O ATOM 1364 CB SER B 204 17.623 -3.059 -5.644 1.00 0.00 C ATOM 1365 OG SER B 204 17.111 -1.737 -5.668 1.00 0.00 O ATOM 1366 OXT SER B 204 18.914 -3.551 -2.340 1.00 0.00 O ATOM 0 H SER B 204 15.530 -2.935 -4.226 1.00 0.00 H new ATOM 0 HA SER B 204 17.841 -4.709 -4.286 1.00 0.00 H new ATOM 0 HB2 SER B 204 18.671 -3.052 -5.944 1.00 0.00 H new ATOM 0 HB3 SER B 204 17.088 -3.672 -6.369 1.00 0.00 H new ATOM 0 HG SER B 204 17.411 -1.256 -4.869 1.00 0.00 H new TER 1372 SER B 204