USER MOD reduce.3.24.130724 H: found=0, std=0, add=340, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 341 hydrogens (2 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 33 GLN : amide:sc= 0.767 K(o=1.8,f=-4.9!) USER MOD Set 1.2: A 36 LYS NZ :NH3+ -176:sc= 1.05 (180deg=0) USER MOD Single : A 1 HIS : no HD1:sc= -0.308 K(o=-0.31,f=-3.2) USER MOD Single : A 1 HIS N :NH3+ -151:sc= 1.76 (180deg=1.03) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 78:sc= 1.1 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0139 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0119) USER MOD Single : A 37 ASN : amide:sc= -0.0275 X(o=-0.027,f=-0.027) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 1 17.139 -8.676 -20.271 1.00 0.00 N ATOM 2 CA HIS A 1 16.108 -9.329 -19.425 1.00 0.00 C ATOM 3 C HIS A 1 16.084 -8.757 -18.003 1.00 0.00 C ATOM 4 O HIS A 1 15.059 -8.221 -17.582 1.00 0.00 O ATOM 5 CB HIS A 1 16.239 -10.867 -19.437 1.00 0.00 C ATOM 6 CG HIS A 1 17.522 -11.400 -18.837 1.00 0.00 C ATOM 7 ND1 HIS A 1 18.802 -10.888 -19.076 1.00 0.00 N ATOM 8 CD2 HIS A 1 17.617 -12.402 -17.917 1.00 0.00 C ATOM 9 CE1 HIS A 1 19.640 -11.603 -18.304 1.00 0.00 C ATOM 10 NE2 HIS A 1 18.953 -12.517 -17.597 1.00 0.00 N ATOM 0 H1 HIS A 1 16.835 -8.695 -21.265 1.00 0.00 H new ATOM 0 H2 HIS A 1 17.264 -7.690 -19.966 1.00 0.00 H new ATOM 0 H3 HIS A 1 18.041 -9.185 -20.174 1.00 0.00 H new ATOM 0 HA HIS A 1 15.140 -9.096 -19.869 1.00 0.00 H new ATOM 0 HB2 HIS A 1 15.396 -11.294 -18.894 1.00 0.00 H new ATOM 0 HB3 HIS A 1 16.164 -11.216 -20.467 1.00 0.00 H new ATOM 0 HD2 HIS A 1 16.804 -12.990 -17.517 1.00 0.00 H new ATOM 0 HE1 HIS A 1 20.710 -11.463 -18.259 1.00 0.00 H new ATOM 0 HE2 HIS A 1 19.353 -13.183 -16.936 1.00 0.00 H new ATOM 20 N SER A 2 17.185 -8.851 -17.248 1.00 0.00 N ATOM 21 CA SER A 2 17.322 -8.415 -15.842 1.00 0.00 C ATOM 22 C SER A 2 17.402 -6.887 -15.625 1.00 0.00 C ATOM 23 O SER A 2 17.689 -6.433 -14.515 1.00 0.00 O ATOM 24 CB SER A 2 18.554 -9.106 -15.236 1.00 0.00 C ATOM 25 OG SER A 2 19.730 -8.791 -15.968 1.00 0.00 O ATOM 0 H SER A 2 18.049 -9.251 -17.613 1.00 0.00 H new ATOM 0 HA SER A 2 16.402 -8.711 -15.338 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.674 -8.796 -14.198 1.00 0.00 H new ATOM 0 HB3 SER A 2 18.403 -10.186 -15.231 1.00 0.00 H new ATOM 0 HG SER A 2 20.499 -9.242 -15.561 1.00 0.00 H new ATOM 31 N ASP A 3 17.153 -6.085 -16.665 1.00 0.00 N ATOM 32 CA ASP A 3 17.346 -4.626 -16.733 1.00 0.00 C ATOM 33 C ASP A 3 16.668 -3.816 -15.608 1.00 0.00 C ATOM 34 O ASP A 3 17.184 -2.771 -15.201 1.00 0.00 O ATOM 35 CB ASP A 3 16.836 -4.131 -18.095 1.00 0.00 C ATOM 36 CG ASP A 3 17.576 -4.784 -19.272 1.00 0.00 C ATOM 37 OD1 ASP A 3 17.229 -5.937 -19.629 1.00 0.00 O ATOM 38 OD2 ASP A 3 18.502 -4.153 -19.837 1.00 0.00 O ATOM 0 H ASP A 3 16.787 -6.458 -17.541 1.00 0.00 H new ATOM 0 HA ASP A 3 18.415 -4.456 -16.601 1.00 0.00 H new ATOM 0 HB2 ASP A 3 15.770 -4.341 -18.179 1.00 0.00 H new ATOM 0 HB3 ASP A 3 16.953 -3.049 -18.152 1.00 0.00 H new ATOM 43 N GLY A 4 15.536 -4.299 -15.084 1.00 0.00 N ATOM 44 CA GLY A 4 14.869 -3.742 -13.906 1.00 0.00 C ATOM 45 C GLY A 4 13.639 -4.514 -13.452 1.00 0.00 C ATOM 46 O GLY A 4 12.659 -3.931 -12.993 1.00 0.00 O ATOM 0 H GLY A 4 15.049 -5.105 -15.477 1.00 0.00 H new ATOM 0 HA2 GLY A 4 15.583 -3.705 -13.083 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.578 -2.714 -14.121 1.00 0.00 H new ATOM 50 N ILE A 5 13.697 -5.841 -13.545 1.00 0.00 N ATOM 51 CA ILE A 5 12.717 -6.756 -12.962 1.00 0.00 C ATOM 52 C ILE A 5 12.631 -6.569 -11.441 1.00 0.00 C ATOM 53 O ILE A 5 11.556 -6.576 -10.834 1.00 0.00 O ATOM 54 CB ILE A 5 13.124 -8.181 -13.360 1.00 0.00 C ATOM 55 CG1 ILE A 5 12.843 -8.424 -14.855 1.00 0.00 C ATOM 56 CG2 ILE A 5 12.499 -9.239 -12.448 1.00 0.00 C ATOM 57 CD1 ILE A 5 11.375 -8.656 -15.228 1.00 0.00 C ATOM 0 H ILE A 5 14.447 -6.323 -14.041 1.00 0.00 H new ATOM 0 HA ILE A 5 11.716 -6.550 -13.341 1.00 0.00 H new ATOM 0 HB ILE A 5 14.200 -8.281 -13.215 1.00 0.00 H new ATOM 0 HG12 ILE A 5 13.210 -7.566 -15.419 1.00 0.00 H new ATOM 0 HG13 ILE A 5 13.422 -9.289 -15.178 1.00 0.00 H new ATOM 0 HG21 ILE A 5 12.817 -10.231 -12.770 1.00 0.00 H new ATOM 0 HG22 ILE A 5 12.822 -9.070 -11.421 1.00 0.00 H new ATOM 0 HG23 ILE A 5 11.413 -9.171 -12.503 1.00 0.00 H new ATOM 0 HD11 ILE A 5 11.294 -8.816 -16.303 1.00 0.00 H new ATOM 0 HD12 ILE A 5 11.000 -9.533 -14.701 1.00 0.00 H new ATOM 0 HD13 ILE A 5 10.786 -7.784 -14.945 1.00 0.00 H new ATOM 69 N PHE A 6 13.795 -6.331 -10.838 1.00 0.00 N ATOM 70 CA PHE A 6 13.943 -5.974 -9.429 1.00 0.00 C ATOM 71 C PHE A 6 13.391 -4.571 -9.159 1.00 0.00 C ATOM 72 O PHE A 6 12.820 -4.317 -8.103 1.00 0.00 O ATOM 73 CB PHE A 6 15.432 -6.047 -9.072 1.00 0.00 C ATOM 74 CG PHE A 6 15.733 -5.746 -7.616 1.00 0.00 C ATOM 75 CD1 PHE A 6 15.527 -6.734 -6.636 1.00 0.00 C ATOM 76 CD2 PHE A 6 16.197 -4.471 -7.238 1.00 0.00 C ATOM 77 CE1 PHE A 6 15.787 -6.451 -5.283 1.00 0.00 C ATOM 78 CE2 PHE A 6 16.456 -4.187 -5.885 1.00 0.00 C ATOM 79 CZ PHE A 6 16.252 -5.178 -4.907 1.00 0.00 C ATOM 0 H PHE A 6 14.686 -6.383 -11.331 1.00 0.00 H new ATOM 0 HA PHE A 6 13.375 -6.669 -8.811 1.00 0.00 H new ATOM 0 HB2 PHE A 6 15.804 -7.043 -9.311 1.00 0.00 H new ATOM 0 HB3 PHE A 6 15.980 -5.344 -9.699 1.00 0.00 H new ATOM 0 HD1 PHE A 6 15.169 -7.712 -6.923 1.00 0.00 H new ATOM 0 HD2 PHE A 6 16.354 -3.710 -7.988 1.00 0.00 H new ATOM 0 HE1 PHE A 6 15.630 -7.212 -4.533 1.00 0.00 H new ATOM 0 HE2 PHE A 6 16.811 -3.209 -5.597 1.00 0.00 H new ATOM 0 HZ PHE A 6 16.452 -4.961 -3.868 1.00 0.00 H new ATOM 89 N THR A 7 13.515 -3.672 -10.139 1.00 0.00 N ATOM 90 CA THR A 7 13.062 -2.267 -10.031 1.00 0.00 C ATOM 91 C THR A 7 11.547 -2.141 -10.067 1.00 0.00 C ATOM 92 O THR A 7 10.953 -1.310 -9.378 1.00 0.00 O ATOM 93 CB THR A 7 13.695 -1.379 -11.120 1.00 0.00 C ATOM 94 OG1 THR A 7 15.075 -1.654 -11.250 1.00 0.00 O ATOM 95 CG2 THR A 7 13.569 0.114 -10.822 1.00 0.00 C ATOM 0 H THR A 7 13.936 -3.893 -11.042 1.00 0.00 H new ATOM 0 HA THR A 7 13.401 -1.915 -9.057 1.00 0.00 H new ATOM 0 HB THR A 7 13.149 -1.612 -12.034 1.00 0.00 H new ATOM 0 HG1 THR A 7 15.458 -1.082 -11.947 1.00 0.00 H new ATOM 0 HG21 THR A 7 14.034 0.686 -11.625 1.00 0.00 H new ATOM 0 HG22 THR A 7 12.515 0.383 -10.748 1.00 0.00 H new ATOM 0 HG23 THR A 7 14.068 0.340 -9.880 1.00 0.00 H new ATOM 103 N ASP A 8 10.904 -3.032 -10.806 1.00 0.00 N ATOM 104 CA ASP A 8 9.452 -3.171 -10.804 1.00 0.00 C ATOM 105 C ASP A 8 8.935 -3.851 -9.545 1.00 0.00 C ATOM 106 O ASP A 8 7.977 -3.380 -8.941 1.00 0.00 O ATOM 107 CB ASP A 8 9.019 -3.946 -12.041 1.00 0.00 C ATOM 108 CG ASP A 8 7.494 -3.938 -12.223 1.00 0.00 C ATOM 109 OD1 ASP A 8 6.934 -2.878 -12.589 1.00 0.00 O ATOM 110 OD2 ASP A 8 6.844 -4.989 -12.013 1.00 0.00 O ATOM 0 H ASP A 8 11.377 -3.685 -11.430 1.00 0.00 H new ATOM 0 HA ASP A 8 9.020 -2.170 -10.820 1.00 0.00 H new ATOM 0 HB2 ASP A 8 9.491 -3.513 -12.923 1.00 0.00 H new ATOM 0 HB3 ASP A 8 9.369 -4.975 -11.964 1.00 0.00 H new ATOM 115 N SER A 9 9.618 -4.902 -9.100 1.00 0.00 N ATOM 116 CA SER A 9 9.301 -5.593 -7.843 1.00 0.00 C ATOM 117 C SER A 9 9.469 -4.681 -6.620 1.00 0.00 C ATOM 118 O SER A 9 8.723 -4.793 -5.648 1.00 0.00 O ATOM 119 CB SER A 9 10.170 -6.848 -7.677 1.00 0.00 C ATOM 120 OG SER A 9 10.040 -7.723 -8.787 1.00 0.00 O ATOM 0 H SER A 9 10.411 -5.304 -9.600 1.00 0.00 H new ATOM 0 HA SER A 9 8.252 -5.884 -7.901 1.00 0.00 H new ATOM 0 HB2 SER A 9 11.214 -6.556 -7.563 1.00 0.00 H new ATOM 0 HB3 SER A 9 9.884 -7.371 -6.765 1.00 0.00 H new ATOM 0 HG SER A 9 10.566 -7.378 -9.539 1.00 0.00 H new ATOM 126 N TYR A 10 10.394 -3.722 -6.694 1.00 0.00 N ATOM 127 CA TYR A 10 10.551 -2.641 -5.717 1.00 0.00 C ATOM 128 C TYR A 10 9.361 -1.677 -5.740 1.00 0.00 C ATOM 129 O TYR A 10 8.889 -1.255 -4.681 1.00 0.00 O ATOM 130 CB TYR A 10 11.861 -1.902 -6.023 1.00 0.00 C ATOM 131 CG TYR A 10 12.331 -0.906 -4.982 1.00 0.00 C ATOM 132 CD1 TYR A 10 13.183 -1.330 -3.942 1.00 0.00 C ATOM 133 CD2 TYR A 10 11.976 0.454 -5.090 1.00 0.00 C ATOM 134 CE1 TYR A 10 13.690 -0.394 -3.019 1.00 0.00 C ATOM 135 CE2 TYR A 10 12.482 1.393 -4.169 1.00 0.00 C ATOM 136 CZ TYR A 10 13.348 0.971 -3.135 1.00 0.00 C ATOM 137 OH TYR A 10 13.855 1.872 -2.251 1.00 0.00 O ATOM 0 H TYR A 10 11.072 -3.674 -7.454 1.00 0.00 H new ATOM 0 HA TYR A 10 10.586 -3.066 -4.714 1.00 0.00 H new ATOM 0 HB2 TYR A 10 12.647 -2.644 -6.165 1.00 0.00 H new ATOM 0 HB3 TYR A 10 11.744 -1.376 -6.971 1.00 0.00 H new ATOM 0 HD1 TYR A 10 13.447 -2.373 -3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 10 11.315 0.777 -5.880 1.00 0.00 H new ATOM 0 HE1 TYR A 10 14.341 -0.721 -2.222 1.00 0.00 H new ATOM 0 HE2 TYR A 10 12.208 2.434 -4.253 1.00 0.00 H new ATOM 0 HH TYR A 10 13.523 2.768 -2.470 1.00 0.00 H new ATOM 147 N SER A 11 8.837 -1.375 -6.934 1.00 0.00 N ATOM 148 CA SER A 11 7.615 -0.573 -7.106 1.00 0.00 C ATOM 149 C SER A 11 6.356 -1.301 -6.607 1.00 0.00 C ATOM 150 O SER A 11 5.496 -0.678 -5.982 1.00 0.00 O ATOM 151 CB SER A 11 7.467 -0.165 -8.578 1.00 0.00 C ATOM 152 OG SER A 11 6.474 0.835 -8.729 1.00 0.00 O ATOM 0 H SER A 11 9.250 -1.681 -7.815 1.00 0.00 H new ATOM 0 HA SER A 11 7.716 0.321 -6.491 1.00 0.00 H new ATOM 0 HB2 SER A 11 8.421 0.204 -8.955 1.00 0.00 H new ATOM 0 HB3 SER A 11 7.204 -1.037 -9.177 1.00 0.00 H new ATOM 0 HG SER A 11 6.398 1.081 -9.675 1.00 0.00 H new ATOM 158 N ARG A 12 6.260 -2.632 -6.780 1.00 0.00 N ATOM 159 CA ARG A 12 5.158 -3.466 -6.260 1.00 0.00 C ATOM 160 C ARG A 12 4.949 -3.327 -4.755 1.00 0.00 C ATOM 161 O ARG A 12 3.801 -3.257 -4.309 1.00 0.00 O ATOM 162 CB ARG A 12 5.357 -4.945 -6.643 1.00 0.00 C ATOM 163 CG ARG A 12 5.358 -5.305 -8.133 1.00 0.00 C ATOM 164 CD ARG A 12 4.296 -4.590 -8.963 1.00 0.00 C ATOM 165 NE ARG A 12 4.505 -4.859 -10.394 1.00 0.00 N ATOM 166 CZ ARG A 12 3.618 -5.043 -11.349 1.00 0.00 C ATOM 167 NH1 ARG A 12 2.330 -5.027 -11.146 1.00 0.00 N ATOM 168 NH2 ARG A 12 4.057 -5.251 -12.553 1.00 0.00 N ATOM 0 H ARG A 12 6.958 -3.169 -7.294 1.00 0.00 H new ATOM 0 HA ARG A 12 4.250 -3.092 -6.734 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.305 -5.276 -6.218 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.571 -5.525 -6.159 1.00 0.00 H new ATOM 0 HG2 ARG A 12 6.339 -5.075 -8.548 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.214 -6.381 -8.233 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.303 -4.925 -8.664 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.340 -3.517 -8.777 1.00 0.00 H new ATOM 0 HE ARG A 12 5.480 -4.910 -10.689 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.964 -4.866 -10.208 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.689 -5.176 -11.925 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.061 -5.268 -12.734 1.00 0.00 H new ATOM 0 HH22 ARG A 12 3.398 -5.398 -13.318 1.00 0.00 H new ATOM 182 N TYR A 13 6.022 -3.201 -3.976 1.00 0.00 N ATOM 183 CA TYR A 13 5.908 -2.924 -2.547 1.00 0.00 C ATOM 184 C TYR A 13 5.291 -1.545 -2.259 1.00 0.00 C ATOM 185 O TYR A 13 4.424 -1.427 -1.396 1.00 0.00 O ATOM 186 CB TYR A 13 7.282 -3.060 -1.883 1.00 0.00 C ATOM 187 CG TYR A 13 7.801 -4.482 -1.776 1.00 0.00 C ATOM 188 CD1 TYR A 13 7.118 -5.423 -0.978 1.00 0.00 C ATOM 189 CD2 TYR A 13 8.978 -4.863 -2.449 1.00 0.00 C ATOM 190 CE1 TYR A 13 7.600 -6.741 -0.868 1.00 0.00 C ATOM 191 CE2 TYR A 13 9.466 -6.179 -2.341 1.00 0.00 C ATOM 192 CZ TYR A 13 8.775 -7.124 -1.551 1.00 0.00 C ATOM 193 OH TYR A 13 9.237 -8.398 -1.440 1.00 0.00 O ATOM 0 H TYR A 13 6.981 -3.287 -4.312 1.00 0.00 H new ATOM 0 HA TYR A 13 5.225 -3.659 -2.121 1.00 0.00 H new ATOM 0 HB2 TYR A 13 8.002 -2.467 -2.447 1.00 0.00 H new ATOM 0 HB3 TYR A 13 7.230 -2.631 -0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 13 6.222 -5.132 -0.450 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.509 -4.141 -3.052 1.00 0.00 H new ATOM 0 HE1 TYR A 13 7.071 -7.460 -0.261 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.368 -6.466 -2.862 1.00 0.00 H new ATOM 0 HH TYR A 13 10.054 -8.497 -1.972 1.00 0.00 H new ATOM 203 N ARG A 14 5.657 -0.500 -3.009 1.00 0.00 N ATOM 204 CA ARG A 14 5.092 0.852 -2.826 1.00 0.00 C ATOM 205 C ARG A 14 3.616 0.920 -3.232 1.00 0.00 C ATOM 206 O ARG A 14 2.854 1.678 -2.627 1.00 0.00 O ATOM 207 CB ARG A 14 5.928 1.919 -3.567 1.00 0.00 C ATOM 208 CG ARG A 14 7.227 2.300 -2.831 1.00 0.00 C ATOM 209 CD ARG A 14 8.352 1.269 -2.983 1.00 0.00 C ATOM 210 NE ARG A 14 9.414 1.451 -1.980 1.00 0.00 N ATOM 211 CZ ARG A 14 10.265 0.517 -1.596 1.00 0.00 C ATOM 212 NH1 ARG A 14 10.322 -0.648 -2.176 1.00 0.00 N ATOM 213 NH2 ARG A 14 11.081 0.738 -0.606 1.00 0.00 N ATOM 0 H ARG A 14 6.348 -0.561 -3.757 1.00 0.00 H new ATOM 0 HA ARG A 14 5.140 1.074 -1.760 1.00 0.00 H new ATOM 0 HB2 ARG A 14 6.178 1.548 -4.561 1.00 0.00 H new ATOM 0 HB3 ARG A 14 5.321 2.814 -3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 14 7.576 3.262 -3.205 1.00 0.00 H new ATOM 0 HG3 ARG A 14 7.008 2.431 -1.771 1.00 0.00 H new ATOM 0 HD2 ARG A 14 7.937 0.265 -2.892 1.00 0.00 H new ATOM 0 HD3 ARG A 14 8.781 1.347 -3.982 1.00 0.00 H new ATOM 0 HE ARG A 14 9.499 2.371 -1.548 1.00 0.00 H new ATOM 0 HH11 ARG A 14 9.697 -0.862 -2.953 1.00 0.00 H new ATOM 0 HH12 ARG A 14 10.992 -1.346 -1.853 1.00 0.00 H new ATOM 0 HH21 ARG A 14 11.065 1.636 -0.123 1.00 0.00 H new ATOM 0 HH22 ARG A 14 11.736 0.013 -0.314 1.00 0.00 H new ATOM 227 N LYS A 15 3.185 0.090 -4.189 1.00 0.00 N ATOM 228 CA LYS A 15 1.781 -0.015 -4.617 1.00 0.00 C ATOM 229 C LYS A 15 0.909 -0.701 -3.570 1.00 0.00 C ATOM 230 O LYS A 15 -0.210 -0.251 -3.324 1.00 0.00 O ATOM 231 CB LYS A 15 1.689 -0.751 -5.965 1.00 0.00 C ATOM 232 CG LYS A 15 2.293 0.066 -7.120 1.00 0.00 C ATOM 233 CD LYS A 15 2.301 -0.749 -8.422 1.00 0.00 C ATOM 234 CE LYS A 15 3.061 -0.036 -9.548 1.00 0.00 C ATOM 235 NZ LYS A 15 2.374 1.203 -10.002 1.00 0.00 N ATOM 0 H LYS A 15 3.809 -0.537 -4.696 1.00 0.00 H new ATOM 0 HA LYS A 15 1.399 0.999 -4.737 1.00 0.00 H new ATOM 0 HB2 LYS A 15 2.207 -1.707 -5.890 1.00 0.00 H new ATOM 0 HB3 LYS A 15 0.644 -0.970 -6.186 1.00 0.00 H new ATOM 0 HG2 LYS A 15 1.719 0.981 -7.263 1.00 0.00 H new ATOM 0 HG3 LYS A 15 3.310 0.364 -6.867 1.00 0.00 H new ATOM 0 HD2 LYS A 15 2.757 -1.721 -8.237 1.00 0.00 H new ATOM 0 HD3 LYS A 15 1.275 -0.934 -8.739 1.00 0.00 H new ATOM 0 HE2 LYS A 15 4.064 0.214 -9.203 1.00 0.00 H new ATOM 0 HE3 LYS A 15 3.174 -0.715 -10.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 2.927 1.647 -10.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.426 0.964 -10.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.289 1.865 -9.204 1.00 0.00 H new ATOM 249 N GLN A 16 1.420 -1.742 -2.910 1.00 0.00 N ATOM 250 CA GLN A 16 0.679 -2.431 -1.853 1.00 0.00 C ATOM 251 C GLN A 16 0.639 -1.608 -0.556 1.00 0.00 C ATOM 252 O GLN A 16 -0.376 -1.599 0.135 1.00 0.00 O ATOM 253 CB GLN A 16 1.208 -3.865 -1.687 1.00 0.00 C ATOM 254 CG GLN A 16 2.445 -4.034 -0.804 1.00 0.00 C ATOM 255 CD GLN A 16 2.848 -5.494 -0.587 1.00 0.00 C ATOM 256 OE1 GLN A 16 2.592 -6.384 -1.390 1.00 0.00 O ATOM 257 NE2 GLN A 16 3.501 -5.802 0.513 1.00 0.00 N ATOM 0 H GLN A 16 2.347 -2.127 -3.090 1.00 0.00 H new ATOM 0 HA GLN A 16 -0.367 -2.525 -2.144 1.00 0.00 H new ATOM 0 HB2 GLN A 16 0.407 -4.479 -1.275 1.00 0.00 H new ATOM 0 HB3 GLN A 16 1.437 -4.262 -2.676 1.00 0.00 H new ATOM 0 HG2 GLN A 16 3.280 -3.499 -1.256 1.00 0.00 H new ATOM 0 HG3 GLN A 16 2.256 -3.570 0.164 1.00 0.00 H new ATOM 0 HE21 GLN A 16 3.724 -5.076 1.194 1.00 0.00 H new ATOM 0 HE22 GLN A 16 3.784 -6.767 0.685 1.00 0.00 H new ATOM 266 N MET A 17 1.693 -0.837 -0.262 1.00 0.00 N ATOM 267 CA MET A 17 1.743 0.098 0.869 1.00 0.00 C ATOM 268 C MET A 17 0.677 1.189 0.773 1.00 0.00 C ATOM 269 O MET A 17 -0.043 1.451 1.737 1.00 0.00 O ATOM 270 CB MET A 17 3.134 0.741 0.923 1.00 0.00 C ATOM 271 CG MET A 17 4.160 -0.225 1.504 1.00 0.00 C ATOM 272 SD MET A 17 5.866 0.394 1.465 1.00 0.00 S ATOM 273 CE MET A 17 6.726 -1.063 2.116 1.00 0.00 C ATOM 0 H MET A 17 2.551 -0.846 -0.814 1.00 0.00 H new ATOM 0 HA MET A 17 1.543 -0.468 1.779 1.00 0.00 H new ATOM 0 HB2 MET A 17 3.439 1.041 -0.079 1.00 0.00 H new ATOM 0 HB3 MET A 17 3.097 1.646 1.529 1.00 0.00 H new ATOM 0 HG2 MET A 17 3.889 -0.448 2.536 1.00 0.00 H new ATOM 0 HG3 MET A 17 4.113 -1.164 0.952 1.00 0.00 H new ATOM 0 HE1 MET A 17 7.796 -0.863 2.163 1.00 0.00 H new ATOM 0 HE2 MET A 17 6.355 -1.288 3.116 1.00 0.00 H new ATOM 0 HE3 MET A 17 6.545 -1.915 1.461 1.00 0.00 H new ATOM 283 N ALA A 18 0.534 1.778 -0.413 1.00 0.00 N ATOM 284 CA ALA A 18 -0.504 2.765 -0.727 1.00 0.00 C ATOM 285 C ALA A 18 -1.932 2.230 -0.488 1.00 0.00 C ATOM 286 O ALA A 18 -2.820 2.980 -0.076 1.00 0.00 O ATOM 287 CB ALA A 18 -0.310 3.238 -2.173 1.00 0.00 C ATOM 0 H ALA A 18 1.149 1.579 -1.202 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.396 3.609 -0.046 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -1.076 3.973 -2.421 1.00 0.00 H new ATOM 0 HB2 ALA A 18 0.676 3.691 -2.278 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.392 2.386 -2.848 1.00 0.00 H new ATOM 293 N VAL A 19 -2.140 0.924 -0.686 1.00 0.00 N ATOM 294 CA VAL A 19 -3.384 0.217 -0.343 1.00 0.00 C ATOM 295 C VAL A 19 -3.512 0.001 1.171 1.00 0.00 C ATOM 296 O VAL A 19 -4.564 0.318 1.727 1.00 0.00 O ATOM 297 CB VAL A 19 -3.481 -1.108 -1.131 1.00 0.00 C ATOM 298 CG1 VAL A 19 -4.640 -1.998 -0.677 1.00 0.00 C ATOM 299 CG2 VAL A 19 -3.661 -0.816 -2.625 1.00 0.00 C ATOM 0 H VAL A 19 -1.434 0.313 -1.098 1.00 0.00 H new ATOM 0 HA VAL A 19 -4.227 0.842 -0.636 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.551 -1.643 -0.939 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -4.651 -2.912 -1.271 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -4.514 -2.251 0.376 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -5.582 -1.466 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.729 -1.755 -3.174 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -4.575 -0.241 -2.776 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.808 -0.244 -2.989 1.00 0.00 H new ATOM 309 N LYS A 20 -2.460 -0.456 1.874 1.00 0.00 N ATOM 310 CA LYS A 20 -2.506 -0.718 3.339 1.00 0.00 C ATOM 311 C LYS A 20 -2.905 0.527 4.117 1.00 0.00 C ATOM 312 O LYS A 20 -3.672 0.468 5.077 1.00 0.00 O ATOM 313 CB LYS A 20 -1.162 -1.214 3.911 1.00 0.00 C ATOM 314 CG LYS A 20 -0.487 -2.424 3.260 1.00 0.00 C ATOM 315 CD LYS A 20 -1.414 -3.421 2.584 1.00 0.00 C ATOM 316 CE LYS A 20 -2.130 -4.224 3.660 1.00 0.00 C ATOM 317 NZ LYS A 20 -3.028 -5.257 3.082 1.00 0.00 N ATOM 0 H LYS A 20 -1.553 -0.656 1.452 1.00 0.00 H new ATOM 0 HA LYS A 20 -3.253 -1.503 3.458 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -0.459 -0.382 3.871 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -1.318 -1.449 4.964 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.227 -2.062 2.520 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.085 -2.950 4.024 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.137 -2.900 1.956 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.846 -4.084 1.932 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.393 -4.704 4.304 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -2.711 -3.549 4.289 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -3.495 -5.780 3.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -3.748 -4.798 2.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.471 -5.917 2.503 1.00 0.00 H new ATOM 331 N LYS A 21 -2.395 1.660 3.644 1.00 0.00 N ATOM 332 CA LYS A 21 -2.679 3.010 4.165 1.00 0.00 C ATOM 333 C LYS A 21 -4.160 3.404 4.067 1.00 0.00 C ATOM 334 O LYS A 21 -4.651 4.108 4.948 1.00 0.00 O ATOM 335 CB LYS A 21 -1.780 4.027 3.449 1.00 0.00 C ATOM 336 CG LYS A 21 -0.321 3.896 3.922 1.00 0.00 C ATOM 337 CD LYS A 21 0.665 4.584 2.975 1.00 0.00 C ATOM 338 CE LYS A 21 0.431 6.099 2.893 1.00 0.00 C ATOM 339 NZ LYS A 21 1.438 6.764 2.025 1.00 0.00 N ATOM 0 H LYS A 21 -1.746 1.673 2.857 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.454 3.005 5.232 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.833 3.871 2.372 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -2.140 5.037 3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.225 4.328 4.918 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.063 2.840 4.006 1.00 0.00 H new ATOM 0 HD2 LYS A 21 1.684 4.393 3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 21 0.573 4.150 1.980 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -0.569 6.292 2.505 1.00 0.00 H new ATOM 0 HE3 LYS A 21 0.473 6.529 3.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 1.248 7.786 1.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 2.390 6.600 2.410 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 1.381 6.372 1.064 1.00 0.00 H new ATOM 353 N TYR A 22 -4.890 2.923 3.057 1.00 0.00 N ATOM 354 CA TYR A 22 -6.343 3.109 2.958 1.00 0.00 C ATOM 355 C TYR A 22 -7.125 2.147 3.863 1.00 0.00 C ATOM 356 O TYR A 22 -8.067 2.587 4.519 1.00 0.00 O ATOM 357 CB TYR A 22 -6.793 3.001 1.499 1.00 0.00 C ATOM 358 CG TYR A 22 -8.297 3.108 1.317 1.00 0.00 C ATOM 359 CD1 TYR A 22 -8.922 4.370 1.368 1.00 0.00 C ATOM 360 CD2 TYR A 22 -9.073 1.945 1.142 1.00 0.00 C ATOM 361 CE1 TYR A 22 -10.322 4.471 1.244 1.00 0.00 C ATOM 362 CE2 TYR A 22 -10.473 2.042 1.020 1.00 0.00 C ATOM 363 CZ TYR A 22 -11.101 3.306 1.072 1.00 0.00 C ATOM 364 OH TYR A 22 -12.454 3.394 0.955 1.00 0.00 O ATOM 0 H TYR A 22 -4.491 2.392 2.283 1.00 0.00 H new ATOM 0 HA TYR A 22 -6.570 4.112 3.319 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -6.308 3.786 0.919 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -6.453 2.049 1.092 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -8.327 5.261 1.502 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -8.594 0.978 1.101 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -10.799 5.439 1.281 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -11.066 1.150 0.887 1.00 0.00 H new ATOM 0 HH TYR A 22 -12.832 2.497 0.842 1.00 0.00 H new ATOM 374 N LEU A 23 -6.729 0.872 3.992 1.00 0.00 N ATOM 375 CA LEU A 23 -7.309 -0.021 5.007 1.00 0.00 C ATOM 376 C LEU A 23 -7.157 0.556 6.424 1.00 0.00 C ATOM 377 O LEU A 23 -8.122 0.612 7.186 1.00 0.00 O ATOM 378 CB LEU A 23 -6.724 -1.447 4.915 1.00 0.00 C ATOM 379 CG LEU A 23 -7.215 -2.336 3.755 1.00 0.00 C ATOM 380 CD1 LEU A 23 -8.721 -2.240 3.515 1.00 0.00 C ATOM 381 CD2 LEU A 23 -6.530 -2.012 2.433 1.00 0.00 C ATOM 0 H LEU A 23 -6.013 0.437 3.410 1.00 0.00 H new ATOM 0 HA LEU A 23 -8.376 -0.093 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.640 -1.363 4.841 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.941 -1.962 5.851 1.00 0.00 H new ATOM 0 HG LEU A 23 -6.957 -3.345 4.077 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -8.999 -2.890 2.686 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -9.253 -2.551 4.414 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -8.986 -1.211 3.274 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -6.915 -2.669 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -6.729 -0.974 2.165 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.455 -2.161 2.534 1.00 0.00 H new ATOM 393 N ALA A 24 -5.974 1.075 6.743 1.00 0.00 N ATOM 394 CA ALA A 24 -5.704 1.789 7.991 1.00 0.00 C ATOM 395 C ALA A 24 -6.577 3.043 8.178 1.00 0.00 C ATOM 396 O ALA A 24 -6.987 3.347 9.300 1.00 0.00 O ATOM 397 CB ALA A 24 -4.211 2.133 8.044 1.00 0.00 C ATOM 0 H ALA A 24 -5.160 1.011 6.131 1.00 0.00 H new ATOM 0 HA ALA A 24 -5.968 1.133 8.821 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.993 2.666 8.969 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.625 1.215 8.007 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.952 2.763 7.193 1.00 0.00 H new ATOM 403 N ALA A 25 -6.914 3.745 7.093 1.00 0.00 N ATOM 404 CA ALA A 25 -7.820 4.891 7.128 1.00 0.00 C ATOM 405 C ALA A 25 -9.263 4.527 7.525 1.00 0.00 C ATOM 406 O ALA A 25 -9.914 5.317 8.213 1.00 0.00 O ATOM 407 CB ALA A 25 -7.775 5.609 5.771 1.00 0.00 C ATOM 0 H ALA A 25 -6.562 3.531 6.160 1.00 0.00 H new ATOM 0 HA ALA A 25 -7.472 5.561 7.915 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -8.449 6.465 5.790 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.759 5.951 5.574 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -8.085 4.921 4.985 1.00 0.00 H new ATOM 413 N VAL A 26 -9.758 3.338 7.152 1.00 0.00 N ATOM 414 CA VAL A 26 -11.106 2.875 7.565 1.00 0.00 C ATOM 415 C VAL A 26 -11.110 2.438 9.024 1.00 0.00 C ATOM 416 O VAL A 26 -12.020 2.786 9.776 1.00 0.00 O ATOM 417 CB VAL A 26 -11.741 1.786 6.659 1.00 0.00 C ATOM 418 CG1 VAL A 26 -11.128 1.758 5.261 1.00 0.00 C ATOM 419 CG2 VAL A 26 -11.705 0.336 7.170 1.00 0.00 C ATOM 0 H VAL A 26 -9.252 2.675 6.566 1.00 0.00 H new ATOM 0 HA VAL A 26 -11.747 3.748 7.441 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.782 2.110 6.659 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.608 0.979 4.669 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.277 2.724 4.779 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.060 1.551 5.336 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -12.182 -0.319 6.441 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -10.670 0.026 7.314 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -12.238 0.271 8.119 1.00 0.00 H new ATOM 429 N LEU A 27 -10.058 1.733 9.452 1.00 0.00 N ATOM 430 CA LEU A 27 -9.851 1.346 10.846 1.00 0.00 C ATOM 431 C LEU A 27 -9.739 2.571 11.762 1.00 0.00 C ATOM 432 O LEU A 27 -10.262 2.573 12.876 1.00 0.00 O ATOM 433 CB LEU A 27 -8.587 0.482 10.897 1.00 0.00 C ATOM 434 CG LEU A 27 -8.716 -0.848 10.132 1.00 0.00 C ATOM 435 CD1 LEU A 27 -7.350 -1.515 10.068 1.00 0.00 C ATOM 436 CD2 LEU A 27 -9.731 -1.782 10.783 1.00 0.00 C ATOM 0 H LEU A 27 -9.317 1.412 8.829 1.00 0.00 H new ATOM 0 HA LEU A 27 -10.708 0.780 11.212 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -7.753 1.049 10.484 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -8.344 0.270 11.938 1.00 0.00 H new ATOM 0 HG LEU A 27 -9.077 -0.635 9.126 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -7.431 -2.458 9.528 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -6.649 -0.860 9.551 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.990 -1.706 11.079 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.791 -2.709 10.212 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -9.419 -2.004 11.803 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -10.709 -1.302 10.799 1.00 0.00 H new ATOM 448 N GLY A 28 -9.140 3.646 11.253 1.00 0.00 N ATOM 449 CA GLY A 28 -9.120 4.970 11.874 1.00 0.00 C ATOM 450 C GLY A 28 -10.503 5.551 12.187 1.00 0.00 C ATOM 451 O GLY A 28 -10.654 6.201 13.223 1.00 0.00 O ATOM 0 H GLY A 28 -8.638 3.619 10.366 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -8.547 4.914 12.799 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -8.593 5.658 11.213 1.00 0.00 H new ATOM 455 N LYS A 29 -11.531 5.292 11.360 1.00 0.00 N ATOM 456 CA LYS A 29 -12.916 5.728 11.641 1.00 0.00 C ATOM 457 C LYS A 29 -13.501 5.001 12.856 1.00 0.00 C ATOM 458 O LYS A 29 -14.224 5.601 13.653 1.00 0.00 O ATOM 459 CB LYS A 29 -13.834 5.517 10.419 1.00 0.00 C ATOM 460 CG LYS A 29 -13.310 6.056 9.077 1.00 0.00 C ATOM 461 CD LYS A 29 -12.932 7.543 9.102 1.00 0.00 C ATOM 462 CE LYS A 29 -12.467 7.974 7.707 1.00 0.00 C ATOM 463 NZ LYS A 29 -12.117 9.417 7.670 1.00 0.00 N ATOM 0 H LYS A 29 -11.430 4.779 10.484 1.00 0.00 H new ATOM 0 HA LYS A 29 -12.869 6.794 11.863 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -14.020 4.449 10.310 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -14.795 5.988 10.626 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -12.436 5.475 8.781 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -14.071 5.899 8.313 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -13.788 8.142 9.413 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.140 7.716 9.831 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.601 7.381 7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.255 7.771 6.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.807 9.674 6.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.950 9.983 7.928 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -11.348 9.605 8.345 1.00 0.00 H new ATOM 477 N ARG A 30 -13.154 3.717 13.023 1.00 0.00 N ATOM 478 CA ARG A 30 -13.566 2.875 14.162 1.00 0.00 C ATOM 479 C ARG A 30 -12.759 3.168 15.428 1.00 0.00 C ATOM 480 O ARG A 30 -13.292 3.076 16.531 1.00 0.00 O ATOM 481 CB ARG A 30 -13.459 1.382 13.794 1.00 0.00 C ATOM 482 CG ARG A 30 -14.575 0.880 12.864 1.00 0.00 C ATOM 483 CD ARG A 30 -14.485 1.379 11.418 1.00 0.00 C ATOM 484 NE ARG A 30 -15.528 0.777 10.562 1.00 0.00 N ATOM 485 CZ ARG A 30 -15.454 -0.350 9.876 1.00 0.00 C ATOM 486 NH1 ARG A 30 -14.403 -1.122 9.904 1.00 0.00 N ATOM 487 NH2 ARG A 30 -16.456 -0.732 9.138 1.00 0.00 N ATOM 0 H ARG A 30 -12.565 3.220 12.355 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.606 3.120 14.379 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -12.496 1.206 13.315 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -13.472 0.792 14.710 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -14.560 -0.210 12.858 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -15.537 1.183 13.278 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -14.584 2.464 11.402 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -13.501 1.142 11.013 1.00 0.00 H new ATOM 0 HE ARG A 30 -16.407 1.291 10.493 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -13.596 -0.864 10.471 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -14.389 -1.984 9.359 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -17.300 -0.161 9.089 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -16.397 -1.602 8.609 1.00 0.00 H new ATOM 501 N TYR A 31 -11.504 3.587 15.290 1.00 0.00 N ATOM 502 CA TYR A 31 -10.646 3.969 16.415 1.00 0.00 C ATOM 503 C TYR A 31 -11.195 5.169 17.207 1.00 0.00 C ATOM 504 O TYR A 31 -10.970 5.266 18.414 1.00 0.00 O ATOM 505 CB TYR A 31 -9.221 4.234 15.911 1.00 0.00 C ATOM 506 CG TYR A 31 -8.210 4.424 17.027 1.00 0.00 C ATOM 507 CD1 TYR A 31 -7.804 3.315 17.796 1.00 0.00 C ATOM 508 CD2 TYR A 31 -7.698 5.705 17.316 1.00 0.00 C ATOM 509 CE1 TYR A 31 -6.892 3.484 18.856 1.00 0.00 C ATOM 510 CE2 TYR A 31 -6.785 5.878 18.373 1.00 0.00 C ATOM 511 CZ TYR A 31 -6.381 4.768 19.149 1.00 0.00 C ATOM 512 OH TYR A 31 -5.501 4.941 20.172 1.00 0.00 O ATOM 0 H TYR A 31 -11.045 3.673 14.383 1.00 0.00 H new ATOM 0 HA TYR A 31 -10.630 3.135 17.116 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -8.905 3.401 15.283 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -9.226 5.123 15.281 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -8.193 2.333 17.572 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -8.007 6.555 16.726 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.584 2.632 19.444 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.393 6.860 18.591 1.00 0.00 H new ATOM 0 HH TYR A 31 -5.251 5.887 20.232 1.00 0.00 H new ATOM 522 N LYS A 32 -11.978 6.049 16.565 1.00 0.00 N ATOM 523 CA LYS A 32 -12.604 7.220 17.218 1.00 0.00 C ATOM 524 C LYS A 32 -13.540 6.792 18.331 1.00 0.00 C ATOM 525 O LYS A 32 -13.493 7.265 19.463 1.00 0.00 O ATOM 526 CB LYS A 32 -13.358 8.079 16.198 1.00 0.00 C ATOM 527 CG LYS A 32 -12.481 8.482 15.015 1.00 0.00 C ATOM 528 CD LYS A 32 -11.047 8.873 15.390 1.00 0.00 C ATOM 529 CE LYS A 32 -10.232 9.389 14.197 1.00 0.00 C ATOM 530 NZ LYS A 32 -10.692 10.722 13.726 1.00 0.00 N ATOM 0 H LYS A 32 -12.199 5.972 15.572 1.00 0.00 H new ATOM 0 HA LYS A 32 -11.803 7.818 17.653 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -14.225 7.528 15.833 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -13.734 8.976 16.690 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -12.445 7.654 14.307 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -12.950 9.321 14.501 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -11.077 9.642 16.162 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -10.542 8.008 15.821 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.181 9.450 14.479 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.302 8.674 13.377 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -10.058 11.063 12.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.659 10.643 13.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.681 11.393 14.520 1.00 0.00 H new ATOM 544 N GLN A 33 -14.348 5.811 17.967 1.00 0.00 N ATOM 545 CA GLN A 33 -15.339 5.158 18.823 1.00 0.00 C ATOM 546 C GLN A 33 -14.694 4.426 20.008 1.00 0.00 C ATOM 547 O GLN A 33 -15.108 4.612 21.152 1.00 0.00 O ATOM 548 CB GLN A 33 -16.176 4.209 17.993 1.00 0.00 C ATOM 549 CG GLN A 33 -17.012 5.003 16.984 1.00 0.00 C ATOM 550 CD GLN A 33 -18.091 5.886 17.596 1.00 0.00 C ATOM 551 OE1 GLN A 33 -17.955 7.098 17.712 1.00 0.00 O ATOM 552 NE2 GLN A 33 -19.206 5.330 18.005 1.00 0.00 N ATOM 0 H GLN A 33 -14.335 5.426 17.023 1.00 0.00 H new ATOM 0 HA GLN A 33 -15.979 5.931 19.248 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -15.531 3.503 17.470 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -16.829 3.624 18.640 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -16.343 5.629 16.393 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.484 4.303 16.295 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -19.336 4.322 17.916 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -19.943 5.905 18.412 1.00 0.00 H new ATOM 561 N ARG A 34 -13.623 3.659 19.747 1.00 0.00 N ATOM 562 CA ARG A 34 -12.798 2.968 20.758 1.00 0.00 C ATOM 563 C ARG A 34 -12.106 3.895 21.766 1.00 0.00 C ATOM 564 O ARG A 34 -11.658 3.426 22.813 1.00 0.00 O ATOM 565 CB ARG A 34 -11.758 2.089 20.041 1.00 0.00 C ATOM 566 CG ARG A 34 -12.371 0.965 19.185 1.00 0.00 C ATOM 567 CD ARG A 34 -13.110 -0.113 19.994 1.00 0.00 C ATOM 568 NE ARG A 34 -12.225 -0.795 20.959 1.00 0.00 N ATOM 569 CZ ARG A 34 -12.599 -1.561 21.970 1.00 0.00 C ATOM 570 NH1 ARG A 34 -13.850 -1.828 22.217 1.00 0.00 N ATOM 571 NH2 ARG A 34 -11.706 -2.080 22.764 1.00 0.00 N ATOM 0 H ARG A 34 -13.295 3.496 18.795 1.00 0.00 H new ATOM 0 HA ARG A 34 -13.483 2.364 21.353 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -11.140 2.722 19.403 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -11.097 1.645 20.786 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -13.065 1.406 18.470 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -11.578 0.490 18.608 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -13.943 0.344 20.528 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -13.535 -0.849 19.311 1.00 0.00 H new ATOM 0 HE ARG A 34 -11.222 -0.662 20.833 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -14.581 -1.441 21.620 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.098 -2.424 23.007 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -10.715 -1.896 22.607 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -11.998 -2.670 23.543 1.00 0.00 H new ATOM 585 N VAL A 35 -12.063 5.196 21.482 1.00 0.00 N ATOM 586 CA VAL A 35 -11.502 6.241 22.366 1.00 0.00 C ATOM 587 C VAL A 35 -12.611 7.039 23.060 1.00 0.00 C ATOM 588 O VAL A 35 -12.529 7.273 24.267 1.00 0.00 O ATOM 589 CB VAL A 35 -10.521 7.144 21.593 1.00 0.00 C ATOM 590 CG1 VAL A 35 -10.044 8.354 22.407 1.00 0.00 C ATOM 591 CG2 VAL A 35 -9.269 6.354 21.184 1.00 0.00 C ATOM 0 H VAL A 35 -12.426 5.573 20.606 1.00 0.00 H new ATOM 0 HA VAL A 35 -10.932 5.752 23.156 1.00 0.00 H new ATOM 0 HB VAL A 35 -11.076 7.498 20.724 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -9.356 8.949 21.806 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -10.902 8.965 22.688 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -9.534 8.009 23.307 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -8.588 7.008 20.639 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -8.771 5.974 22.076 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -9.558 5.519 20.546 1.00 0.00 H new ATOM 601 N LYS A 36 -13.705 7.366 22.357 1.00 0.00 N ATOM 602 CA LYS A 36 -14.933 7.954 22.939 1.00 0.00 C ATOM 603 C LYS A 36 -15.577 7.076 24.019 1.00 0.00 C ATOM 604 O LYS A 36 -16.154 7.587 24.978 1.00 0.00 O ATOM 605 CB LYS A 36 -15.933 8.268 21.814 1.00 0.00 C ATOM 606 CG LYS A 36 -15.490 9.476 20.966 1.00 0.00 C ATOM 607 CD LYS A 36 -16.257 9.577 19.640 1.00 0.00 C ATOM 608 CE LYS A 36 -17.763 9.785 19.849 1.00 0.00 C ATOM 609 NZ LYS A 36 -18.487 9.773 18.554 1.00 0.00 N ATOM 0 H LYS A 36 -13.768 7.229 21.348 1.00 0.00 H new ATOM 0 HA LYS A 36 -14.643 8.875 23.445 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -16.041 7.394 21.171 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.913 8.469 22.246 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -15.639 10.392 21.538 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -14.423 9.399 20.759 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -15.857 10.404 19.054 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -16.096 8.668 19.060 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.156 9.001 20.496 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -17.935 10.734 20.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -19.493 9.983 18.716 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -18.081 10.492 17.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.396 8.835 18.114 1.00 0.00 H new ATOM 623 N ASN A 37 -15.404 5.761 23.900 1.00 0.00 N ATOM 624 CA ASN A 37 -15.794 4.743 24.884 1.00 0.00 C ATOM 625 C ASN A 37 -15.026 4.821 26.227 1.00 0.00 C ATOM 626 O ASN A 37 -15.449 4.222 27.219 1.00 0.00 O ATOM 627 CB ASN A 37 -15.623 3.366 24.213 1.00 0.00 C ATOM 628 CG ASN A 37 -16.157 2.216 25.055 1.00 0.00 C ATOM 629 OD1 ASN A 37 -17.315 2.186 25.452 1.00 0.00 O ATOM 630 ND2 ASN A 37 -15.342 1.223 25.339 1.00 0.00 N ATOM 0 H ASN A 37 -14.966 5.352 23.074 1.00 0.00 H new ATOM 0 HA ASN A 37 -16.831 4.921 25.167 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -16.136 3.372 23.251 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -14.566 3.198 24.009 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -15.675 0.431 25.888 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -14.377 1.245 25.010 1.00 0.00 H new ATOM 637 N LYS A 38 -13.912 5.565 26.270 1.00 0.00 N ATOM 638 CA LYS A 38 -12.955 5.646 27.393 1.00 0.00 C ATOM 639 C LYS A 38 -12.746 7.079 27.920 1.00 0.00 C ATOM 640 O LYS A 38 -11.957 7.299 28.839 1.00 0.00 O ATOM 641 CB LYS A 38 -11.610 5.021 26.957 1.00 0.00 C ATOM 642 CG LYS A 38 -11.678 3.555 26.484 1.00 0.00 C ATOM 643 CD LYS A 38 -12.210 2.550 27.522 1.00 0.00 C ATOM 644 CE LYS A 38 -11.440 2.534 28.851 1.00 0.00 C ATOM 645 NZ LYS A 38 -10.043 2.050 28.691 1.00 0.00 N ATOM 0 H LYS A 38 -13.636 6.157 25.487 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.381 5.086 28.226 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -11.194 5.625 26.151 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -10.914 5.082 27.793 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -12.311 3.506 25.598 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.679 3.243 26.180 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -13.256 2.778 27.726 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -12.181 1.550 27.088 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -11.427 3.539 29.273 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -11.963 1.896 29.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -9.565 2.058 29.615 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -10.052 1.081 28.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -9.533 2.673 28.032 1.00 0.00 H new HETATM 659 N NH2 A 39 -13.443 8.070 27.380 1.00 0.00 N TER 662 NH2 A 39