USER MOD reduce.3.24.130724 H: found=0, std=0, add=618, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 615 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 40 MET CE :methyl -108:sc= -3.73! (180deg=-9.79!) USER MOD Set 1.2: A 47 THR OG1 : rot 180:sc=-0.00392 USER MOD Set 2.1: A 23 ASN : amide:sc= -6.62! C(o=-10!,f=-23!) USER MOD Set 2.2: A 24 GLN : amide:sc= -3.7! C(o=-10!,f=-12!) USER MOD Single : A 1 GLY N :NH3+ -133:sc= 0.0942 (180deg=0) USER MOD Single : A 2 SER OG : rot 51:sc= 1.21 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -8.25! C(o=-8.3!,f=-12!) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -19:sc= 0.39 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= -0.0299 K(o=-0.03,f=-1.9) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl 177:sc= 0 (180deg=-0.0195) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 140:sc= -1.02 USER MOD Single : A 34 GLN : amide:sc= 0.255 X(o=0.26,f=-0.028) USER MOD Single : A 39 ASN : amide:sc= -1.53! C(o=-1.5!,f=-9.7!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= 0 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot 68:sc= -0.168 USER MOD Single : A 59 MET CE :methyl 179:sc= -0.781 (180deg=-0.822) USER MOD Single : A 60 ASN : amide:sc= -0.0138 X(o=-0.014,f=-0.48) USER MOD Single : A 62 ASN : amide:sc= -0.0285 K(o=-0.029,f=-1.5!) USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 59:sc= 0.162 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 83 SER OG : rot 41:sc= 0.337 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.834 -14.351 -7.645 1.00 0.00 N ATOM 2 CA GLY A 1 2.911 -13.368 -8.186 1.00 0.00 C ATOM 3 C GLY A 1 1.486 -13.623 -7.689 1.00 0.00 C ATOM 4 O GLY A 1 1.271 -14.457 -6.811 1.00 0.00 O ATOM 0 H1 GLY A 1 4.679 -13.869 -7.279 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.372 -14.873 -6.874 1.00 0.00 H new ATOM 0 H3 GLY A 1 4.112 -15.016 -8.395 1.00 0.00 H new ATOM 0 HA2 GLY A 1 3.228 -12.367 -7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.932 -13.404 -9.275 1.00 0.00 H new ATOM 8 N SER A 2 0.550 -12.888 -8.271 1.00 0.00 N ATOM 9 CA SER A 2 -0.848 -13.024 -7.898 1.00 0.00 C ATOM 10 C SER A 2 -1.732 -12.293 -8.910 1.00 0.00 C ATOM 11 O SER A 2 -2.629 -12.891 -9.502 1.00 0.00 O ATOM 12 CB SER A 2 -1.096 -12.485 -6.488 1.00 0.00 C ATOM 13 OG SER A 2 -0.802 -13.454 -5.486 1.00 0.00 O ATOM 0 H SER A 2 0.732 -12.196 -8.998 1.00 0.00 H new ATOM 0 HA SER A 2 -1.103 -14.084 -7.902 1.00 0.00 H new ATOM 0 HB2 SER A 2 -0.483 -11.599 -6.326 1.00 0.00 H new ATOM 0 HB3 SER A 2 -2.137 -12.174 -6.397 1.00 0.00 H new ATOM 0 HG SER A 2 0.095 -13.818 -5.637 1.00 0.00 H new ATOM 19 N SER A 3 -1.450 -11.009 -9.077 1.00 0.00 N ATOM 20 CA SER A 3 -2.209 -10.190 -10.006 1.00 0.00 C ATOM 21 C SER A 3 -3.674 -10.127 -9.572 1.00 0.00 C ATOM 22 O SER A 3 -4.257 -11.141 -9.191 1.00 0.00 O ATOM 23 CB SER A 3 -2.101 -10.733 -11.433 1.00 0.00 C ATOM 24 OG SER A 3 -1.010 -10.154 -12.144 1.00 0.00 O ATOM 0 H SER A 3 -0.706 -10.516 -8.584 1.00 0.00 H new ATOM 0 HA SER A 3 -1.790 -9.184 -9.996 1.00 0.00 H new ATOM 0 HB2 SER A 3 -1.979 -11.816 -11.401 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.029 -10.533 -11.968 1.00 0.00 H new ATOM 0 HG SER A 3 -0.974 -10.528 -13.049 1.00 0.00 H new ATOM 30 N GLY A 4 -4.227 -8.925 -9.642 1.00 0.00 N ATOM 31 CA GLY A 4 -5.614 -8.716 -9.261 1.00 0.00 C ATOM 32 C GLY A 4 -6.124 -7.365 -9.767 1.00 0.00 C ATOM 33 O GLY A 4 -5.893 -7.002 -10.919 1.00 0.00 O ATOM 0 H GLY A 4 -3.740 -8.086 -9.957 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -6.231 -9.517 -9.668 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -5.708 -8.761 -8.176 1.00 0.00 H new ATOM 37 N SER A 5 -6.809 -6.657 -8.881 1.00 0.00 N ATOM 38 CA SER A 5 -7.354 -5.354 -9.223 1.00 0.00 C ATOM 39 C SER A 5 -7.206 -4.398 -8.038 1.00 0.00 C ATOM 40 O SER A 5 -8.193 -4.049 -7.392 1.00 0.00 O ATOM 41 CB SER A 5 -8.822 -5.464 -9.638 1.00 0.00 C ATOM 42 OG SER A 5 -9.126 -4.627 -10.751 1.00 0.00 O ATOM 0 H SER A 5 -6.999 -6.961 -7.926 1.00 0.00 H new ATOM 0 HA SER A 5 -6.794 -4.960 -10.071 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.051 -6.499 -9.890 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.458 -5.193 -8.796 1.00 0.00 H new ATOM 0 HG SER A 5 -10.072 -4.727 -10.987 1.00 0.00 H new ATOM 48 N SER A 6 -5.967 -4.001 -7.790 1.00 0.00 N ATOM 49 CA SER A 6 -5.678 -3.091 -6.694 1.00 0.00 C ATOM 50 C SER A 6 -4.865 -1.899 -7.204 1.00 0.00 C ATOM 51 O SER A 6 -5.407 -0.812 -7.399 1.00 0.00 O ATOM 52 CB SER A 6 -4.925 -3.805 -5.570 1.00 0.00 C ATOM 53 OG SER A 6 -4.831 -5.208 -5.797 1.00 0.00 O ATOM 0 H SER A 6 -5.151 -4.292 -8.329 1.00 0.00 H new ATOM 0 HA SER A 6 -6.624 -2.731 -6.290 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.923 -3.384 -5.481 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.432 -3.624 -4.622 1.00 0.00 H new ATOM 0 HG SER A 6 -4.342 -5.627 -5.058 1.00 0.00 H new ATOM 59 N GLY A 7 -3.579 -2.144 -7.405 1.00 0.00 N ATOM 60 CA GLY A 7 -2.686 -1.104 -7.888 1.00 0.00 C ATOM 61 C GLY A 7 -1.661 -0.721 -6.819 1.00 0.00 C ATOM 62 O GLY A 7 -1.605 0.432 -6.393 1.00 0.00 O ATOM 0 H GLY A 7 -3.134 -3.047 -7.242 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.170 -1.450 -8.784 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.265 -0.226 -8.173 1.00 0.00 H new ATOM 66 N LEU A 8 -0.876 -1.709 -6.416 1.00 0.00 N ATOM 67 CA LEU A 8 0.143 -1.489 -5.404 1.00 0.00 C ATOM 68 C LEU A 8 1.401 -2.278 -5.774 1.00 0.00 C ATOM 69 O LEU A 8 2.507 -1.740 -5.747 1.00 0.00 O ATOM 70 CB LEU A 8 -0.402 -1.819 -4.013 1.00 0.00 C ATOM 71 CG LEU A 8 -1.685 -1.091 -3.606 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.354 -1.783 -2.416 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.412 0.389 -3.330 1.00 0.00 C ATOM 0 H LEU A 8 -0.925 -2.664 -6.772 1.00 0.00 H new ATOM 0 HA LEU A 8 0.424 -0.436 -5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -0.585 -2.892 -3.961 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.370 -1.591 -3.278 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.384 -1.139 -4.441 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -3.263 -1.246 -2.147 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.605 -2.809 -2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.671 -1.788 -1.567 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.340 0.883 -3.043 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.687 0.481 -2.521 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -1.014 0.859 -4.229 1.00 0.00 H new ATOM 85 N ASP A 9 1.190 -3.542 -6.112 1.00 0.00 N ATOM 86 CA ASP A 9 2.293 -4.411 -6.487 1.00 0.00 C ATOM 87 C ASP A 9 3.174 -3.694 -7.512 1.00 0.00 C ATOM 88 O ASP A 9 4.362 -3.993 -7.630 1.00 0.00 O ATOM 89 CB ASP A 9 1.782 -5.704 -7.125 1.00 0.00 C ATOM 90 CG ASP A 9 0.703 -5.517 -8.193 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.472 -5.371 -7.793 1.00 0.00 O ATOM 92 OD2 ASP A 9 1.077 -5.525 -9.385 1.00 0.00 O ATOM 0 H ASP A 9 0.272 -3.985 -6.134 1.00 0.00 H new ATOM 0 HA ASP A 9 2.856 -4.652 -5.585 1.00 0.00 H new ATOM 0 HB2 ASP A 9 2.626 -6.229 -7.571 1.00 0.00 H new ATOM 0 HB3 ASP A 9 1.386 -6.347 -6.339 1.00 0.00 H new ATOM 97 N HIS A 10 2.559 -2.763 -8.226 1.00 0.00 N ATOM 98 CA HIS A 10 3.274 -2.002 -9.237 1.00 0.00 C ATOM 99 C HIS A 10 4.022 -0.844 -8.574 1.00 0.00 C ATOM 100 O HIS A 10 5.138 -0.513 -8.970 1.00 0.00 O ATOM 101 CB HIS A 10 2.322 -1.539 -10.342 1.00 0.00 C ATOM 102 CG HIS A 10 1.226 -0.617 -9.862 1.00 0.00 C ATOM 103 ND1 HIS A 10 1.483 0.597 -9.249 1.00 0.00 N ATOM 104 CD2 HIS A 10 -0.131 -0.745 -9.912 1.00 0.00 C ATOM 105 CE1 HIS A 10 0.325 1.165 -8.947 1.00 0.00 C ATOM 106 NE2 HIS A 10 -0.674 0.332 -9.358 1.00 0.00 N ATOM 0 H HIS A 10 1.574 -2.518 -8.125 1.00 0.00 H new ATOM 0 HA HIS A 10 4.016 -2.638 -9.720 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.899 -1.030 -11.114 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.869 -2.414 -10.807 1.00 0.00 H new ATOM 0 HD2 HIS A 10 -0.672 -1.581 -10.331 1.00 0.00 H new ATOM 0 HE1 HIS A 10 0.195 2.120 -8.461 1.00 0.00 H new ATOM 0 HE2 HIS A 10 -1.674 0.508 -9.256 1.00 0.00 H new ATOM 114 N ILE A 11 3.376 -0.259 -7.575 1.00 0.00 N ATOM 115 CA ILE A 11 3.966 0.855 -6.853 1.00 0.00 C ATOM 116 C ILE A 11 5.408 0.508 -6.477 1.00 0.00 C ATOM 117 O ILE A 11 5.771 -0.666 -6.413 1.00 0.00 O ATOM 118 CB ILE A 11 3.094 1.240 -5.657 1.00 0.00 C ATOM 119 CG1 ILE A 11 1.759 1.830 -6.118 1.00 0.00 C ATOM 120 CG2 ILE A 11 3.842 2.184 -4.714 1.00 0.00 C ATOM 121 CD1 ILE A 11 1.027 2.503 -4.955 1.00 0.00 C ATOM 0 H ILE A 11 2.450 -0.536 -7.249 1.00 0.00 H new ATOM 0 HA ILE A 11 4.006 1.741 -7.487 1.00 0.00 H new ATOM 0 HB ILE A 11 2.868 0.334 -5.094 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.933 2.556 -6.912 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.134 1.042 -6.538 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.199 2.442 -3.872 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.742 1.692 -4.346 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.118 3.091 -5.251 1.00 0.00 H new ATOM 0 HD11 ILE A 11 0.082 2.914 -5.309 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.833 1.769 -4.173 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.644 3.307 -4.553 1.00 0.00 H new ATOM 133 N THR A 12 6.190 1.550 -6.238 1.00 0.00 N ATOM 134 CA THR A 12 7.584 1.370 -5.870 1.00 0.00 C ATOM 135 C THR A 12 7.865 2.014 -4.511 1.00 0.00 C ATOM 136 O THR A 12 7.344 3.086 -4.209 1.00 0.00 O ATOM 137 CB THR A 12 8.448 1.934 -7.000 1.00 0.00 C ATOM 138 OG1 THR A 12 7.721 1.619 -8.184 1.00 0.00 O ATOM 139 CG2 THR A 12 9.769 1.178 -7.161 1.00 0.00 C ATOM 0 H THR A 12 5.885 2.522 -6.292 1.00 0.00 H new ATOM 0 HA THR A 12 7.828 0.314 -5.750 1.00 0.00 H new ATOM 0 HB THR A 12 8.654 2.987 -6.808 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.210 1.951 -8.966 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.343 1.619 -7.976 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.342 1.245 -6.236 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.564 0.131 -7.386 1.00 0.00 H new ATOM 147 N VAL A 13 8.687 1.332 -3.728 1.00 0.00 N ATOM 148 CA VAL A 13 9.043 1.824 -2.407 1.00 0.00 C ATOM 149 C VAL A 13 10.544 2.116 -2.364 1.00 0.00 C ATOM 150 O VAL A 13 11.352 1.296 -2.799 1.00 0.00 O ATOM 151 CB VAL A 13 8.597 0.824 -1.339 1.00 0.00 C ATOM 152 CG1 VAL A 13 9.004 1.297 0.058 1.00 0.00 C ATOM 153 CG2 VAL A 13 7.090 0.574 -1.416 1.00 0.00 C ATOM 0 H VAL A 13 9.117 0.443 -3.982 1.00 0.00 H new ATOM 0 HA VAL A 13 8.524 2.759 -2.194 1.00 0.00 H new ATOM 0 HB VAL A 13 9.103 -0.122 -1.534 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.675 0.568 0.799 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.088 1.399 0.106 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.539 2.261 0.266 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.800 -0.141 -0.646 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.557 1.512 -1.260 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.838 0.172 -2.397 1.00 0.00 H new ATOM 163 N VAL A 14 10.872 3.286 -1.836 1.00 0.00 N ATOM 164 CA VAL A 14 12.262 3.695 -1.730 1.00 0.00 C ATOM 165 C VAL A 14 12.882 3.063 -0.482 1.00 0.00 C ATOM 166 O VAL A 14 12.471 3.361 0.638 1.00 0.00 O ATOM 167 CB VAL A 14 12.359 5.222 -1.738 1.00 0.00 C ATOM 168 CG1 VAL A 14 13.727 5.687 -1.233 1.00 0.00 C ATOM 169 CG2 VAL A 14 12.070 5.783 -3.132 1.00 0.00 C ATOM 0 H VAL A 14 10.199 3.963 -1.477 1.00 0.00 H new ATOM 0 HA VAL A 14 12.831 3.341 -2.590 1.00 0.00 H new ATOM 0 HB VAL A 14 11.601 5.609 -1.057 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.770 6.776 -1.249 1.00 0.00 H new ATOM 0 HG12 VAL A 14 13.878 5.333 -0.213 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.509 5.284 -1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.146 6.870 -3.110 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.794 5.383 -3.842 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.064 5.496 -3.439 1.00 0.00 H new ATOM 179 N THR A 15 13.862 2.203 -0.719 1.00 0.00 N ATOM 180 CA THR A 15 14.543 1.527 0.372 1.00 0.00 C ATOM 181 C THR A 15 15.915 2.158 0.617 1.00 0.00 C ATOM 182 O THR A 15 16.406 2.926 -0.209 1.00 0.00 O ATOM 183 CB THR A 15 14.611 0.036 0.035 1.00 0.00 C ATOM 184 OG1 THR A 15 15.415 -0.018 -1.141 1.00 0.00 O ATOM 185 CG2 THR A 15 13.260 -0.526 -0.411 1.00 0.00 C ATOM 0 H THR A 15 14.200 1.959 -1.650 1.00 0.00 H new ATOM 0 HA THR A 15 13.997 1.639 1.309 1.00 0.00 H new ATOM 0 HB THR A 15 14.964 -0.517 0.905 1.00 0.00 H new ATOM 0 HG1 THR A 15 15.434 0.865 -1.565 1.00 0.00 H new ATOM 0 HG21 THR A 15 13.364 -1.587 -0.638 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.530 -0.396 0.388 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.922 0.004 -1.301 1.00 0.00 H new ATOM 193 N ALA A 16 16.496 1.810 1.756 1.00 0.00 N ATOM 194 CA ALA A 16 17.802 2.333 2.121 1.00 0.00 C ATOM 195 C ALA A 16 18.885 1.560 1.365 1.00 0.00 C ATOM 196 O ALA A 16 19.736 0.917 1.977 1.00 0.00 O ATOM 197 CB ALA A 16 17.979 2.251 3.638 1.00 0.00 C ATOM 0 H ALA A 16 16.086 1.172 2.438 1.00 0.00 H new ATOM 0 HA ALA A 16 17.888 3.382 1.839 1.00 0.00 H new ATOM 0 HB1 ALA A 16 18.958 2.643 3.912 1.00 0.00 H new ATOM 0 HB2 ALA A 16 17.203 2.839 4.127 1.00 0.00 H new ATOM 0 HB3 ALA A 16 17.902 1.212 3.958 1.00 0.00 H new ATOM 203 N ASP A 17 18.817 1.648 0.044 1.00 0.00 N ATOM 204 CA ASP A 17 19.781 0.965 -0.802 1.00 0.00 C ATOM 205 C ASP A 17 19.398 1.167 -2.269 1.00 0.00 C ATOM 206 O ASP A 17 20.268 1.301 -3.128 1.00 0.00 O ATOM 207 CB ASP A 17 19.794 -0.539 -0.519 1.00 0.00 C ATOM 208 CG ASP A 17 20.706 -1.360 -1.432 1.00 0.00 C ATOM 209 OD1 ASP A 17 20.230 -1.728 -2.528 1.00 0.00 O ATOM 210 OD2 ASP A 17 21.859 -1.602 -1.014 1.00 0.00 O ATOM 0 H ASP A 17 18.109 2.182 -0.461 1.00 0.00 H new ATOM 0 HA ASP A 17 20.767 1.380 -0.593 1.00 0.00 H new ATOM 0 HB2 ASP A 17 20.102 -0.696 0.515 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.777 -0.919 -0.609 1.00 0.00 H new ATOM 215 N GLY A 18 18.096 1.182 -2.511 1.00 0.00 N ATOM 216 CA GLY A 18 17.587 1.365 -3.860 1.00 0.00 C ATOM 217 C GLY A 18 16.057 1.372 -3.873 1.00 0.00 C ATOM 218 O GLY A 18 15.426 1.662 -2.858 1.00 0.00 O ATOM 0 H GLY A 18 17.377 1.070 -1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 18 17.962 2.303 -4.270 1.00 0.00 H new ATOM 0 HA3 GLY A 18 17.956 0.566 -4.503 1.00 0.00 H new ATOM 222 N LYS A 19 15.506 1.049 -5.034 1.00 0.00 N ATOM 223 CA LYS A 19 14.062 1.014 -5.192 1.00 0.00 C ATOM 224 C LYS A 19 13.613 -0.430 -5.425 1.00 0.00 C ATOM 225 O LYS A 19 14.378 -1.246 -5.937 1.00 0.00 O ATOM 226 CB LYS A 19 13.621 1.980 -6.294 1.00 0.00 C ATOM 227 CG LYS A 19 12.661 3.037 -5.744 1.00 0.00 C ATOM 228 CD LYS A 19 11.904 3.734 -6.877 1.00 0.00 C ATOM 229 CE LYS A 19 12.433 5.152 -7.099 1.00 0.00 C ATOM 230 NZ LYS A 19 13.691 5.120 -7.877 1.00 0.00 N ATOM 0 H LYS A 19 16.033 0.809 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 19 13.571 1.358 -4.282 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.495 2.467 -6.727 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.135 1.425 -7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.951 2.569 -5.062 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.219 3.775 -5.167 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.005 3.156 -7.796 1.00 0.00 H new ATOM 0 HD3 LYS A 19 10.841 3.772 -6.639 1.00 0.00 H new ATOM 0 HE2 LYS A 19 11.687 5.746 -7.627 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.605 5.637 -6.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.036 6.091 -8.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 14.406 4.570 -7.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.516 4.676 -8.801 1.00 0.00 H new ATOM 244 N VAL A 20 12.375 -0.701 -5.038 1.00 0.00 N ATOM 245 CA VAL A 20 11.816 -2.032 -5.198 1.00 0.00 C ATOM 246 C VAL A 20 10.291 -1.934 -5.273 1.00 0.00 C ATOM 247 O VAL A 20 9.714 -0.903 -4.929 1.00 0.00 O ATOM 248 CB VAL A 20 12.301 -2.943 -4.069 1.00 0.00 C ATOM 249 CG1 VAL A 20 13.826 -3.075 -4.088 1.00 0.00 C ATOM 250 CG2 VAL A 20 11.811 -2.440 -2.709 1.00 0.00 C ATOM 0 H VAL A 20 11.744 -0.021 -4.614 1.00 0.00 H new ATOM 0 HA VAL A 20 12.160 -2.481 -6.130 1.00 0.00 H new ATOM 0 HB VAL A 20 11.877 -3.934 -4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.145 -3.728 -3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.143 -3.500 -5.040 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.278 -2.091 -3.962 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.170 -3.106 -1.924 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.192 -1.434 -2.534 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.721 -2.422 -2.699 1.00 0.00 H new ATOM 260 N ALA A 21 9.681 -3.020 -5.725 1.00 0.00 N ATOM 261 CA ALA A 21 8.235 -3.069 -5.850 1.00 0.00 C ATOM 262 C ALA A 21 7.618 -3.351 -4.478 1.00 0.00 C ATOM 263 O ALA A 21 8.220 -4.035 -3.652 1.00 0.00 O ATOM 264 CB ALA A 21 7.847 -4.122 -6.890 1.00 0.00 C ATOM 0 H ALA A 21 10.163 -3.873 -6.009 1.00 0.00 H new ATOM 0 HA ALA A 21 7.848 -2.111 -6.196 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.762 -4.158 -6.983 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.286 -3.861 -7.853 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.217 -5.098 -6.575 1.00 0.00 H new ATOM 270 N LEU A 22 6.426 -2.809 -4.278 1.00 0.00 N ATOM 271 CA LEU A 22 5.721 -2.994 -3.021 1.00 0.00 C ATOM 272 C LEU A 22 5.519 -4.489 -2.769 1.00 0.00 C ATOM 273 O LEU A 22 5.261 -4.903 -1.640 1.00 0.00 O ATOM 274 CB LEU A 22 4.421 -2.187 -3.012 1.00 0.00 C ATOM 275 CG LEU A 22 4.207 -1.273 -1.804 1.00 0.00 C ATOM 276 CD1 LEU A 22 2.766 -0.761 -1.752 1.00 0.00 C ATOM 277 CD2 LEU A 22 4.614 -1.974 -0.506 1.00 0.00 C ATOM 0 H LEU A 22 5.930 -2.241 -4.965 1.00 0.00 H new ATOM 0 HA LEU A 22 6.314 -2.609 -2.192 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.389 -1.577 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.584 -2.883 -3.069 1.00 0.00 H new ATOM 0 HG LEU A 22 4.854 -0.403 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.641 -0.114 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.547 -0.198 -2.659 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.082 -1.606 -1.676 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.452 -1.302 0.337 1.00 0.00 H new ATOM 0 HD22 LEU A 22 4.012 -2.873 -0.374 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.668 -2.247 -0.555 1.00 0.00 H new ATOM 289 N ASN A 23 5.644 -5.259 -3.840 1.00 0.00 N ATOM 290 CA ASN A 23 5.478 -6.700 -3.750 1.00 0.00 C ATOM 291 C ASN A 23 6.850 -7.358 -3.594 1.00 0.00 C ATOM 292 O ASN A 23 7.073 -8.462 -4.089 1.00 0.00 O ATOM 293 CB ASN A 23 4.826 -7.260 -5.015 1.00 0.00 C ATOM 294 CG ASN A 23 5.726 -7.051 -6.234 1.00 0.00 C ATOM 295 OD1 ASN A 23 6.886 -6.689 -6.127 1.00 0.00 O ATOM 296 ND2 ASN A 23 5.129 -7.298 -7.397 1.00 0.00 N ATOM 0 H ASN A 23 5.858 -4.912 -4.775 1.00 0.00 H new ATOM 0 HA ASN A 23 4.840 -6.913 -2.892 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.625 -8.323 -4.885 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.865 -6.772 -5.180 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.646 -7.187 -8.269 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.154 -7.598 -7.416 1.00 0.00 H new ATOM 303 N GLN A 24 7.734 -6.653 -2.904 1.00 0.00 N ATOM 304 CA GLN A 24 9.079 -7.155 -2.677 1.00 0.00 C ATOM 305 C GLN A 24 9.442 -7.047 -1.194 1.00 0.00 C ATOM 306 O GLN A 24 9.813 -8.039 -0.569 1.00 0.00 O ATOM 307 CB GLN A 24 10.096 -6.412 -3.546 1.00 0.00 C ATOM 308 CG GLN A 24 9.622 -6.335 -4.999 1.00 0.00 C ATOM 309 CD GLN A 24 9.495 -7.733 -5.609 1.00 0.00 C ATOM 310 OE1 GLN A 24 9.773 -8.740 -4.980 1.00 0.00 O ATOM 311 NE2 GLN A 24 9.062 -7.736 -6.866 1.00 0.00 N ATOM 0 H GLN A 24 7.545 -5.738 -2.494 1.00 0.00 H new ATOM 0 HA GLN A 24 9.107 -8.207 -2.963 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.248 -5.406 -3.155 1.00 0.00 H new ATOM 0 HB3 GLN A 24 11.059 -6.920 -3.500 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.660 -5.825 -5.045 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.325 -5.742 -5.584 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.847 -6.855 -7.334 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.944 -8.619 -7.363 1.00 0.00 H new ATOM 320 N ILE A 25 9.323 -5.833 -0.675 1.00 0.00 N ATOM 321 CA ILE A 25 9.634 -5.583 0.721 1.00 0.00 C ATOM 322 C ILE A 25 8.582 -6.258 1.603 1.00 0.00 C ATOM 323 O ILE A 25 8.915 -6.861 2.622 1.00 0.00 O ATOM 324 CB ILE A 25 9.780 -4.081 0.977 1.00 0.00 C ATOM 325 CG1 ILE A 25 8.437 -3.365 0.814 1.00 0.00 C ATOM 326 CG2 ILE A 25 10.865 -3.476 0.085 1.00 0.00 C ATOM 327 CD1 ILE A 25 8.580 -1.866 1.082 1.00 0.00 C ATOM 0 H ILE A 25 9.015 -5.013 -1.197 1.00 0.00 H new ATOM 0 HA ILE A 25 10.597 -6.022 0.981 1.00 0.00 H new ATOM 0 HB ILE A 25 10.097 -3.939 2.010 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.056 -3.523 -0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.707 -3.793 1.501 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.948 -2.408 0.287 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.819 -3.960 0.293 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.602 -3.628 -0.962 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.612 -1.381 0.960 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.938 -1.711 2.100 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.293 -1.437 0.378 1.00 0.00 H new ATOM 339 N GLY A 26 7.333 -6.134 1.179 1.00 0.00 N ATOM 340 CA GLY A 26 6.229 -6.724 1.917 1.00 0.00 C ATOM 341 C GLY A 26 5.349 -7.575 1.000 1.00 0.00 C ATOM 342 O GLY A 26 5.491 -7.528 -0.221 1.00 0.00 O ATOM 0 H GLY A 26 7.061 -5.633 0.333 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.617 -7.340 2.728 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.630 -5.936 2.373 1.00 0.00 H new ATOM 346 N GLN A 27 4.459 -8.333 1.623 1.00 0.00 N ATOM 347 CA GLN A 27 3.556 -9.194 0.878 1.00 0.00 C ATOM 348 C GLN A 27 2.149 -8.592 0.854 1.00 0.00 C ATOM 349 O GLN A 27 1.536 -8.397 1.902 1.00 0.00 O ATOM 350 CB GLN A 27 3.538 -10.607 1.462 1.00 0.00 C ATOM 351 CG GLN A 27 4.162 -11.610 0.490 1.00 0.00 C ATOM 352 CD GLN A 27 3.151 -12.048 -0.571 1.00 0.00 C ATOM 353 OE1 GLN A 27 2.032 -11.566 -0.635 1.00 0.00 O ATOM 354 NE2 GLN A 27 3.606 -12.985 -1.398 1.00 0.00 N ATOM 0 H GLN A 27 4.344 -8.369 2.636 1.00 0.00 H new ATOM 0 HA GLN A 27 3.917 -9.266 -0.148 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.084 -10.621 2.405 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.512 -10.900 1.683 1.00 0.00 H new ATOM 0 HG2 GLN A 27 5.030 -11.162 0.007 1.00 0.00 H new ATOM 0 HG3 GLN A 27 4.518 -12.481 1.040 1.00 0.00 H new ATOM 0 HE21 GLN A 27 4.554 -13.345 -1.288 1.00 0.00 H new ATOM 0 HE22 GLN A 27 3.007 -13.343 -2.142 1.00 0.00 H new ATOM 363 N ILE A 28 1.678 -8.316 -0.353 1.00 0.00 N ATOM 364 CA ILE A 28 0.355 -7.741 -0.527 1.00 0.00 C ATOM 365 C ILE A 28 -0.694 -8.851 -0.440 1.00 0.00 C ATOM 366 O ILE A 28 -0.628 -9.832 -1.178 1.00 0.00 O ATOM 367 CB ILE A 28 0.289 -6.933 -1.825 1.00 0.00 C ATOM 368 CG1 ILE A 28 1.231 -5.729 -1.770 1.00 0.00 C ATOM 369 CG2 ILE A 28 -1.150 -6.520 -2.141 1.00 0.00 C ATOM 370 CD1 ILE A 28 2.005 -5.579 -3.081 1.00 0.00 C ATOM 0 H ILE A 28 2.189 -8.480 -1.220 1.00 0.00 H new ATOM 0 HA ILE A 28 0.138 -7.034 0.274 1.00 0.00 H new ATOM 0 HB ILE A 28 0.628 -7.570 -2.641 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.658 -4.823 -1.576 1.00 0.00 H new ATOM 0 HG13 ILE A 28 1.930 -5.847 -0.942 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -1.169 -5.947 -3.068 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.768 -7.411 -2.252 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.540 -5.907 -1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.667 -4.716 -3.016 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.596 -6.477 -3.259 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.304 -5.437 -3.903 1.00 0.00 H new ATOM 382 N SER A 29 -1.638 -8.659 0.470 1.00 0.00 N ATOM 383 CA SER A 29 -2.700 -9.631 0.664 1.00 0.00 C ATOM 384 C SER A 29 -4.021 -8.914 0.946 1.00 0.00 C ATOM 385 O SER A 29 -4.236 -8.410 2.048 1.00 0.00 O ATOM 386 CB SER A 29 -2.364 -10.593 1.805 1.00 0.00 C ATOM 387 OG SER A 29 -3.448 -11.470 2.101 1.00 0.00 O ATOM 0 H SER A 29 -1.689 -7.844 1.081 1.00 0.00 H new ATOM 0 HA SER A 29 -2.800 -10.215 -0.251 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.485 -11.180 1.537 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.106 -10.022 2.697 1.00 0.00 H new ATOM 0 HG SER A 29 -3.193 -12.069 2.834 1.00 0.00 H new ATOM 393 N MET A 30 -4.873 -8.890 -0.068 1.00 0.00 N ATOM 394 CA MET A 30 -6.168 -8.243 0.057 1.00 0.00 C ATOM 395 C MET A 30 -7.027 -8.936 1.117 1.00 0.00 C ATOM 396 O MET A 30 -7.717 -9.910 0.822 1.00 0.00 O ATOM 397 CB MET A 30 -6.891 -8.282 -1.291 1.00 0.00 C ATOM 398 CG MET A 30 -7.254 -6.871 -1.759 1.00 0.00 C ATOM 399 SD MET A 30 -8.990 -6.790 -2.164 1.00 0.00 S ATOM 400 CE MET A 30 -9.318 -5.077 -1.781 1.00 0.00 C ATOM 0 H MET A 30 -4.692 -9.308 -0.980 1.00 0.00 H new ATOM 0 HA MET A 30 -6.008 -7.209 0.364 1.00 0.00 H new ATOM 0 HB2 MET A 30 -6.256 -8.764 -2.035 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.795 -8.885 -1.206 1.00 0.00 H new ATOM 0 HG2 MET A 30 -7.020 -6.148 -0.977 1.00 0.00 H new ATOM 0 HG3 MET A 30 -6.656 -6.603 -2.630 1.00 0.00 H new ATOM 0 HE1 MET A 30 -10.353 -4.840 -2.029 1.00 0.00 H new ATOM 0 HE2 MET A 30 -9.151 -4.903 -0.718 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.651 -4.440 -2.362 1.00 0.00 H new ATOM 410 N LYS A 31 -6.957 -8.405 2.329 1.00 0.00 N ATOM 411 CA LYS A 31 -7.720 -8.960 3.434 1.00 0.00 C ATOM 412 C LYS A 31 -9.205 -8.662 3.223 1.00 0.00 C ATOM 413 O LYS A 31 -9.987 -9.565 2.927 1.00 0.00 O ATOM 414 CB LYS A 31 -7.174 -8.452 4.770 1.00 0.00 C ATOM 415 CG LYS A 31 -8.037 -8.939 5.936 1.00 0.00 C ATOM 416 CD LYS A 31 -7.842 -10.438 6.174 1.00 0.00 C ATOM 417 CE LYS A 31 -6.622 -10.698 7.060 1.00 0.00 C ATOM 418 NZ LYS A 31 -6.050 -12.033 6.774 1.00 0.00 N ATOM 0 H LYS A 31 -6.384 -7.596 2.570 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.614 -10.044 3.464 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.149 -8.797 4.903 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.145 -7.362 4.764 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.779 -8.387 6.840 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.087 -8.734 5.727 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.733 -10.854 6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.718 -10.948 5.219 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.869 -9.929 6.888 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.908 -10.635 8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.223 -12.194 7.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.765 -12.764 6.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.759 -12.080 5.777 1.00 0.00 H new ATOM 432 N SER A 32 -9.551 -7.393 3.384 1.00 0.00 N ATOM 433 CA SER A 32 -10.929 -6.966 3.215 1.00 0.00 C ATOM 434 C SER A 32 -11.198 -6.638 1.745 1.00 0.00 C ATOM 435 O SER A 32 -10.268 -6.539 0.947 1.00 0.00 O ATOM 436 CB SER A 32 -11.241 -5.753 4.095 1.00 0.00 C ATOM 437 OG SER A 32 -11.353 -4.555 3.332 1.00 0.00 O ATOM 0 H SER A 32 -8.900 -6.647 3.630 1.00 0.00 H new ATOM 0 HA SER A 32 -11.581 -7.783 3.524 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.171 -5.927 4.636 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.456 -5.635 4.842 1.00 0.00 H new ATOM 0 HG SER A 32 -12.094 -4.015 3.678 1.00 0.00 H new ATOM 443 N PRO A 33 -12.510 -6.475 1.424 1.00 0.00 N ATOM 444 CA PRO A 33 -12.914 -6.160 0.064 1.00 0.00 C ATOM 445 C PRO A 33 -12.613 -4.699 -0.273 1.00 0.00 C ATOM 446 O PRO A 33 -12.895 -4.243 -1.381 1.00 0.00 O ATOM 447 CB PRO A 33 -14.396 -6.491 0.007 1.00 0.00 C ATOM 448 CG PRO A 33 -14.869 -6.535 1.452 1.00 0.00 C ATOM 449 CD PRO A 33 -13.639 -6.585 2.343 1.00 0.00 C ATOM 0 HA PRO A 33 -12.363 -6.733 -0.682 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.943 -5.738 -0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.564 -7.447 -0.488 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -15.472 -5.657 1.683 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -15.499 -7.408 1.621 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.641 -5.770 3.067 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.599 -7.515 2.910 1.00 0.00 H new ATOM 457 N GLN A 34 -12.046 -4.004 0.702 1.00 0.00 N ATOM 458 CA GLN A 34 -11.705 -2.603 0.523 1.00 0.00 C ATOM 459 C GLN A 34 -10.517 -2.228 1.412 1.00 0.00 C ATOM 460 O GLN A 34 -10.385 -1.077 1.824 1.00 0.00 O ATOM 461 CB GLN A 34 -12.909 -1.704 0.809 1.00 0.00 C ATOM 462 CG GLN A 34 -13.639 -1.337 -0.485 1.00 0.00 C ATOM 463 CD GLN A 34 -15.054 -0.836 -0.193 1.00 0.00 C ATOM 464 OE1 GLN A 34 -15.878 -1.525 0.386 1.00 0.00 O ATOM 465 NE2 GLN A 34 -15.290 0.400 -0.624 1.00 0.00 N ATOM 0 H GLN A 34 -11.814 -4.385 1.619 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.418 -2.450 -0.517 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.595 -2.213 1.486 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.578 -0.797 1.314 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.079 -0.567 -1.017 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -13.685 -2.207 -1.140 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.556 0.922 -1.102 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -16.205 0.825 -0.477 1.00 0.00 H new ATOM 474 N VAL A 35 -9.684 -3.222 1.682 1.00 0.00 N ATOM 475 CA VAL A 35 -8.512 -3.011 2.515 1.00 0.00 C ATOM 476 C VAL A 35 -7.394 -3.952 2.062 1.00 0.00 C ATOM 477 O VAL A 35 -7.556 -5.171 2.083 1.00 0.00 O ATOM 478 CB VAL A 35 -8.880 -3.187 3.990 1.00 0.00 C ATOM 479 CG1 VAL A 35 -7.633 -3.139 4.875 1.00 0.00 C ATOM 480 CG2 VAL A 35 -9.904 -2.138 4.428 1.00 0.00 C ATOM 0 H VAL A 35 -9.797 -4.176 1.339 1.00 0.00 H new ATOM 0 HA VAL A 35 -8.144 -1.991 2.405 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.336 -4.170 4.107 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.922 -3.266 5.918 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.951 -3.939 4.587 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.136 -2.177 4.751 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.148 -2.285 5.480 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.486 -1.141 4.289 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.808 -2.239 3.828 1.00 0.00 H new ATOM 490 N ILE A 36 -6.283 -3.350 1.664 1.00 0.00 N ATOM 491 CA ILE A 36 -5.138 -4.118 1.206 1.00 0.00 C ATOM 492 C ILE A 36 -4.112 -4.218 2.337 1.00 0.00 C ATOM 493 O ILE A 36 -3.625 -3.202 2.830 1.00 0.00 O ATOM 494 CB ILE A 36 -4.574 -3.522 -0.085 1.00 0.00 C ATOM 495 CG1 ILE A 36 -5.490 -3.822 -1.273 1.00 0.00 C ATOM 496 CG2 ILE A 36 -3.142 -4.002 -0.330 1.00 0.00 C ATOM 497 CD1 ILE A 36 -5.775 -2.553 -2.080 1.00 0.00 C ATOM 0 H ILE A 36 -6.151 -2.339 1.649 1.00 0.00 H new ATOM 0 HA ILE A 36 -5.437 -5.136 0.955 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.536 -2.438 0.027 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.025 -4.569 -1.916 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.427 -4.248 -0.916 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.764 -3.564 -1.254 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.508 -3.696 0.502 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -3.132 -5.089 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -6.428 -2.794 -2.919 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -6.262 -1.817 -1.441 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.838 -2.143 -2.456 1.00 0.00 H new ATOM 509 N LEU A 37 -3.813 -5.453 2.714 1.00 0.00 N ATOM 510 CA LEU A 37 -2.854 -5.699 3.778 1.00 0.00 C ATOM 511 C LEU A 37 -1.489 -6.016 3.164 1.00 0.00 C ATOM 512 O LEU A 37 -1.390 -6.835 2.252 1.00 0.00 O ATOM 513 CB LEU A 37 -3.370 -6.785 4.724 1.00 0.00 C ATOM 514 CG LEU A 37 -4.214 -6.300 5.905 1.00 0.00 C ATOM 515 CD1 LEU A 37 -4.473 -7.436 6.896 1.00 0.00 C ATOM 516 CD2 LEU A 37 -3.569 -5.087 6.578 1.00 0.00 C ATOM 0 H LEU A 37 -4.218 -6.294 2.302 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.729 -4.807 4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.964 -7.492 4.144 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.514 -7.334 5.116 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.183 -5.978 5.524 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.075 -7.065 7.726 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.006 -8.243 6.393 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.523 -7.811 7.276 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.189 -4.762 7.414 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.579 -5.358 6.944 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.479 -4.275 5.856 1.00 0.00 H new ATOM 528 N VAL A 38 -0.471 -5.349 3.688 1.00 0.00 N ATOM 529 CA VAL A 38 0.884 -5.550 3.203 1.00 0.00 C ATOM 530 C VAL A 38 1.787 -5.945 4.373 1.00 0.00 C ATOM 531 O VAL A 38 2.154 -5.102 5.191 1.00 0.00 O ATOM 532 CB VAL A 38 1.368 -4.296 2.471 1.00 0.00 C ATOM 533 CG1 VAL A 38 2.867 -4.380 2.174 1.00 0.00 C ATOM 534 CG2 VAL A 38 0.567 -4.066 1.188 1.00 0.00 C ATOM 0 H VAL A 38 -0.557 -4.669 4.443 1.00 0.00 H new ATOM 0 HA VAL A 38 0.914 -6.365 2.480 1.00 0.00 H new ATOM 0 HB VAL A 38 1.203 -3.441 3.126 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.186 -3.477 1.654 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.419 -4.474 3.109 1.00 0.00 H new ATOM 0 HG13 VAL A 38 3.066 -5.249 1.547 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.931 -3.169 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.686 -4.924 0.526 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.487 -3.941 1.435 1.00 0.00 H new ATOM 544 N ASN A 39 2.118 -7.227 4.417 1.00 0.00 N ATOM 545 CA ASN A 39 2.971 -7.744 5.473 1.00 0.00 C ATOM 546 C ASN A 39 4.408 -7.275 5.239 1.00 0.00 C ATOM 547 O ASN A 39 4.949 -7.442 4.147 1.00 0.00 O ATOM 548 CB ASN A 39 2.969 -9.274 5.483 1.00 0.00 C ATOM 549 CG ASN A 39 3.970 -9.817 6.505 1.00 0.00 C ATOM 550 OD1 ASN A 39 5.174 -9.782 6.313 1.00 0.00 O ATOM 551 ND2 ASN A 39 3.406 -10.320 7.600 1.00 0.00 N ATOM 0 H ASN A 39 1.811 -7.923 3.738 1.00 0.00 H new ATOM 0 HA ASN A 39 2.588 -7.376 6.425 1.00 0.00 H new ATOM 0 HB2 ASN A 39 1.969 -9.638 5.719 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.219 -9.648 4.490 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.989 -10.707 8.342 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.391 -10.318 7.697 1.00 0.00 H new ATOM 558 N MET A 40 4.985 -6.697 6.282 1.00 0.00 N ATOM 559 CA MET A 40 6.349 -6.202 6.203 1.00 0.00 C ATOM 560 C MET A 40 7.231 -6.853 7.270 1.00 0.00 C ATOM 561 O MET A 40 8.177 -6.237 7.759 1.00 0.00 O ATOM 562 CB MET A 40 6.353 -4.684 6.394 1.00 0.00 C ATOM 563 CG MET A 40 5.485 -3.996 5.338 1.00 0.00 C ATOM 564 SD MET A 40 6.370 -3.893 3.792 1.00 0.00 S ATOM 565 CE MET A 40 7.745 -2.869 4.290 1.00 0.00 C ATOM 0 H MET A 40 4.533 -6.560 7.186 1.00 0.00 H new ATOM 0 HA MET A 40 6.751 -6.455 5.222 1.00 0.00 H new ATOM 0 HB2 MET A 40 5.984 -4.438 7.390 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.374 -4.309 6.331 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.558 -4.552 5.199 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.210 -2.997 5.676 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.633 -1.874 3.858 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.767 -2.793 5.377 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.676 -3.314 3.939 1.00 0.00 H new ATOM 575 N ALA A 41 6.890 -8.090 7.600 1.00 0.00 N ATOM 576 CA ALA A 41 7.639 -8.831 8.601 1.00 0.00 C ATOM 577 C ALA A 41 9.080 -9.016 8.120 1.00 0.00 C ATOM 578 O ALA A 41 9.980 -9.254 8.923 1.00 0.00 O ATOM 579 CB ALA A 41 6.941 -10.165 8.877 1.00 0.00 C ATOM 0 H ALA A 41 6.105 -8.598 7.192 1.00 0.00 H new ATOM 0 HA ALA A 41 7.673 -8.280 9.541 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.503 -10.721 9.628 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.932 -9.978 9.243 1.00 0.00 H new ATOM 0 HB3 ALA A 41 6.891 -10.747 7.957 1.00 0.00 H new ATOM 585 N SER A 42 9.252 -8.900 6.811 1.00 0.00 N ATOM 586 CA SER A 42 10.568 -9.052 6.213 1.00 0.00 C ATOM 587 C SER A 42 11.233 -7.683 6.058 1.00 0.00 C ATOM 588 O SER A 42 12.415 -7.597 5.731 1.00 0.00 O ATOM 589 CB SER A 42 10.479 -9.756 4.858 1.00 0.00 C ATOM 590 OG SER A 42 10.883 -11.120 4.937 1.00 0.00 O ATOM 0 H SER A 42 8.502 -8.703 6.148 1.00 0.00 H new ATOM 0 HA SER A 42 11.175 -9.671 6.874 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.455 -9.702 4.488 1.00 0.00 H new ATOM 0 HB3 SER A 42 11.107 -9.233 4.136 1.00 0.00 H new ATOM 0 HG SER A 42 10.810 -11.535 4.052 1.00 0.00 H new ATOM 596 N PHE A 43 10.444 -6.646 6.300 1.00 0.00 N ATOM 597 CA PHE A 43 10.941 -5.285 6.191 1.00 0.00 C ATOM 598 C PHE A 43 10.229 -4.361 7.181 1.00 0.00 C ATOM 599 O PHE A 43 9.485 -3.469 6.777 1.00 0.00 O ATOM 600 CB PHE A 43 10.644 -4.813 4.766 1.00 0.00 C ATOM 601 CG PHE A 43 11.630 -5.335 3.719 1.00 0.00 C ATOM 602 CD1 PHE A 43 11.550 -6.624 3.293 1.00 0.00 C ATOM 603 CD2 PHE A 43 12.587 -4.510 3.216 1.00 0.00 C ATOM 604 CE1 PHE A 43 12.466 -7.108 2.321 1.00 0.00 C ATOM 605 CE2 PHE A 43 13.503 -4.995 2.245 1.00 0.00 C ATOM 606 CZ PHE A 43 13.423 -6.283 1.818 1.00 0.00 C ATOM 0 H PHE A 43 9.464 -6.721 6.571 1.00 0.00 H new ATOM 0 HA PHE A 43 12.008 -5.259 6.414 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.638 -5.129 4.492 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.652 -3.723 4.746 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.791 -7.279 3.693 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.650 -3.486 3.555 1.00 0.00 H new ATOM 0 HE1 PHE A 43 12.402 -8.131 1.981 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.263 -4.340 1.846 1.00 0.00 H new ATOM 0 HZ PHE A 43 14.119 -6.651 1.079 1.00 0.00 H new ATOM 616 N PRO A 44 10.491 -4.612 8.492 1.00 0.00 N ATOM 617 CA PRO A 44 9.884 -3.812 9.542 1.00 0.00 C ATOM 618 C PRO A 44 10.548 -2.437 9.637 1.00 0.00 C ATOM 619 O PRO A 44 10.109 -1.584 10.407 1.00 0.00 O ATOM 620 CB PRO A 44 10.045 -4.638 10.808 1.00 0.00 C ATOM 621 CG PRO A 44 11.139 -5.650 10.509 1.00 0.00 C ATOM 622 CD PRO A 44 11.368 -5.659 9.006 1.00 0.00 C ATOM 0 HA PRO A 44 8.832 -3.598 9.353 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.317 -4.007 11.654 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.112 -5.137 11.070 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.057 -5.386 11.033 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.848 -6.641 10.857 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.411 -5.457 8.763 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.122 -6.629 8.574 1.00 0.00 H new ATOM 630 N GLU A 45 11.595 -2.265 8.844 1.00 0.00 N ATOM 631 CA GLU A 45 12.324 -1.008 8.830 1.00 0.00 C ATOM 632 C GLU A 45 12.049 -0.250 7.529 1.00 0.00 C ATOM 633 O GLU A 45 12.587 0.835 7.313 1.00 0.00 O ATOM 634 CB GLU A 45 13.824 -1.242 9.021 1.00 0.00 C ATOM 635 CG GLU A 45 14.110 -1.885 10.379 1.00 0.00 C ATOM 636 CD GLU A 45 14.684 -0.862 11.361 1.00 0.00 C ATOM 637 OE1 GLU A 45 15.831 -0.427 11.120 1.00 0.00 O ATOM 638 OE2 GLU A 45 13.964 -0.539 12.330 1.00 0.00 O ATOM 0 H GLU A 45 11.956 -2.975 8.207 1.00 0.00 H new ATOM 0 HA GLU A 45 11.976 -0.399 9.664 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.200 -1.884 8.224 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.356 -0.294 8.944 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.191 -2.309 10.785 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.813 -2.709 10.254 1.00 0.00 H new ATOM 645 N CYS A 46 11.212 -0.852 6.697 1.00 0.00 N ATOM 646 CA CYS A 46 10.859 -0.247 5.424 1.00 0.00 C ATOM 647 C CYS A 46 9.340 -0.068 5.382 1.00 0.00 C ATOM 648 O CYS A 46 8.780 0.277 4.342 1.00 0.00 O ATOM 649 CB CYS A 46 11.369 -1.076 4.243 1.00 0.00 C ATOM 650 SG CYS A 46 12.734 -0.194 3.403 1.00 0.00 S ATOM 0 H CYS A 46 10.768 -1.752 6.879 1.00 0.00 H new ATOM 0 HA CYS A 46 11.341 0.727 5.335 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.715 -2.049 4.593 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.557 -1.260 3.540 1.00 0.00 H new ATOM 0 HG CYS A 46 13.161 -0.907 2.404 1.00 0.00 H new ATOM 656 N THR A 47 8.716 -0.310 6.525 1.00 0.00 N ATOM 657 CA THR A 47 7.272 -0.180 6.632 1.00 0.00 C ATOM 658 C THR A 47 6.828 1.215 6.188 1.00 0.00 C ATOM 659 O THR A 47 5.957 1.350 5.330 1.00 0.00 O ATOM 660 CB THR A 47 6.873 -0.517 8.070 1.00 0.00 C ATOM 661 OG1 THR A 47 7.321 -1.857 8.250 1.00 0.00 O ATOM 662 CG2 THR A 47 5.356 -0.604 8.251 1.00 0.00 C ATOM 0 H THR A 47 9.183 -0.595 7.385 1.00 0.00 H new ATOM 0 HA THR A 47 6.761 -0.876 5.966 1.00 0.00 H new ATOM 0 HB THR A 47 7.277 0.238 8.745 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.104 -2.155 9.158 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.127 -0.845 9.289 1.00 0.00 H new ATOM 0 HG22 THR A 47 4.903 0.353 7.993 1.00 0.00 H new ATOM 0 HG23 THR A 47 4.956 -1.382 7.601 1.00 0.00 H new ATOM 670 N ALA A 48 7.447 2.218 6.794 1.00 0.00 N ATOM 671 CA ALA A 48 7.127 3.598 6.472 1.00 0.00 C ATOM 672 C ALA A 48 7.307 3.822 4.969 1.00 0.00 C ATOM 673 O ALA A 48 6.404 4.320 4.299 1.00 0.00 O ATOM 674 CB ALA A 48 8.000 4.534 7.310 1.00 0.00 C ATOM 0 H ALA A 48 8.168 2.102 7.506 1.00 0.00 H new ATOM 0 HA ALA A 48 6.087 3.817 6.715 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.760 5.569 7.068 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.812 4.356 8.369 1.00 0.00 H new ATOM 0 HB3 ALA A 48 9.051 4.345 7.091 1.00 0.00 H new ATOM 680 N ALA A 49 8.481 3.444 4.484 1.00 0.00 N ATOM 681 CA ALA A 49 8.791 3.597 3.072 1.00 0.00 C ATOM 682 C ALA A 49 7.557 3.241 2.241 1.00 0.00 C ATOM 683 O ALA A 49 7.065 4.063 1.471 1.00 0.00 O ATOM 684 CB ALA A 49 10.002 2.731 2.719 1.00 0.00 C ATOM 0 H ALA A 49 9.228 3.032 5.043 1.00 0.00 H new ATOM 0 HA ALA A 49 9.052 4.631 2.846 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.235 2.845 1.660 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.859 3.044 3.315 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.776 1.686 2.930 1.00 0.00 H new ATOM 690 N ALA A 50 7.093 2.013 2.426 1.00 0.00 N ATOM 691 CA ALA A 50 5.926 1.538 1.703 1.00 0.00 C ATOM 692 C ALA A 50 4.807 2.577 1.809 1.00 0.00 C ATOM 693 O ALA A 50 4.365 3.123 0.800 1.00 0.00 O ATOM 694 CB ALA A 50 5.507 0.172 2.251 1.00 0.00 C ATOM 0 H ALA A 50 7.504 1.333 3.066 1.00 0.00 H new ATOM 0 HA ALA A 50 6.156 1.409 0.646 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.631 -0.185 1.709 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.325 -0.537 2.125 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.266 0.263 3.310 1.00 0.00 H new ATOM 700 N ILE A 51 4.383 2.818 3.041 1.00 0.00 N ATOM 701 CA ILE A 51 3.324 3.782 3.292 1.00 0.00 C ATOM 702 C ILE A 51 3.544 5.015 2.413 1.00 0.00 C ATOM 703 O ILE A 51 2.695 5.354 1.590 1.00 0.00 O ATOM 704 CB ILE A 51 3.233 4.100 4.785 1.00 0.00 C ATOM 705 CG1 ILE A 51 2.478 3.000 5.535 1.00 0.00 C ATOM 706 CG2 ILE A 51 2.613 5.480 5.015 1.00 0.00 C ATOM 707 CD1 ILE A 51 3.196 2.631 6.835 1.00 0.00 C ATOM 0 H ILE A 51 4.753 2.363 3.876 1.00 0.00 H new ATOM 0 HA ILE A 51 2.355 3.364 3.019 1.00 0.00 H new ATOM 0 HB ILE A 51 4.244 4.130 5.190 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.465 3.336 5.757 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.389 2.118 4.901 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.560 5.681 6.085 1.00 0.00 H new ATOM 0 HG22 ILE A 51 3.228 6.240 4.533 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.609 5.503 4.591 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.639 1.847 7.349 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.200 2.273 6.607 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.261 3.510 7.477 1.00 0.00 H new ATOM 719 N LYS A 52 4.688 5.652 2.617 1.00 0.00 N ATOM 720 CA LYS A 52 5.030 6.840 1.853 1.00 0.00 C ATOM 721 C LYS A 52 4.713 6.599 0.376 1.00 0.00 C ATOM 722 O LYS A 52 3.855 7.270 -0.196 1.00 0.00 O ATOM 723 CB LYS A 52 6.482 7.244 2.113 1.00 0.00 C ATOM 724 CG LYS A 52 6.562 8.659 2.689 1.00 0.00 C ATOM 725 CD LYS A 52 7.679 8.766 3.729 1.00 0.00 C ATOM 726 CE LYS A 52 8.846 9.600 3.198 1.00 0.00 C ATOM 727 NZ LYS A 52 9.509 10.328 4.303 1.00 0.00 N ATOM 0 H LYS A 52 5.390 5.368 3.300 1.00 0.00 H new ATOM 0 HA LYS A 52 4.425 7.688 2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.941 6.539 2.806 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.050 7.193 1.184 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.739 9.373 1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.608 8.924 3.146 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.289 9.219 4.641 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.031 7.769 3.993 1.00 0.00 H new ATOM 0 HE2 LYS A 52 9.566 8.952 2.698 1.00 0.00 H new ATOM 0 HE3 LYS A 52 8.485 10.309 2.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 10.299 10.889 3.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.823 10.961 4.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 9.871 9.646 5.000 1.00 0.00 H new ATOM 741 N ALA A 53 5.423 5.640 -0.200 1.00 0.00 N ATOM 742 CA ALA A 53 5.229 5.303 -1.600 1.00 0.00 C ATOM 743 C ALA A 53 3.769 5.552 -1.982 1.00 0.00 C ATOM 744 O ALA A 53 3.481 6.384 -2.841 1.00 0.00 O ATOM 745 CB ALA A 53 5.656 3.853 -1.840 1.00 0.00 C ATOM 0 H ALA A 53 6.134 5.086 0.278 1.00 0.00 H new ATOM 0 HA ALA A 53 5.849 5.935 -2.237 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.511 3.600 -2.890 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.708 3.736 -1.581 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.054 3.189 -1.220 1.00 0.00 H new ATOM 751 N ILE A 54 2.885 4.815 -1.326 1.00 0.00 N ATOM 752 CA ILE A 54 1.461 4.945 -1.586 1.00 0.00 C ATOM 753 C ILE A 54 1.088 6.428 -1.628 1.00 0.00 C ATOM 754 O ILE A 54 0.498 6.896 -2.600 1.00 0.00 O ATOM 755 CB ILE A 54 0.654 4.136 -0.569 1.00 0.00 C ATOM 756 CG1 ILE A 54 0.751 2.637 -0.858 1.00 0.00 C ATOM 757 CG2 ILE A 54 -0.797 4.617 -0.513 1.00 0.00 C ATOM 758 CD1 ILE A 54 1.809 1.975 0.026 1.00 0.00 C ATOM 0 H ILE A 54 3.127 4.125 -0.615 1.00 0.00 H new ATOM 0 HA ILE A 54 1.212 4.526 -2.561 1.00 0.00 H new ATOM 0 HB ILE A 54 1.086 4.301 0.418 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.217 2.167 -0.686 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.000 2.481 -1.908 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.349 4.025 0.218 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.821 5.667 -0.222 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.257 4.502 -1.495 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.857 0.910 -0.200 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.780 2.431 -0.166 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.544 2.112 1.075 1.00 0.00 H new ATOM 770 N ARG A 55 1.449 7.126 -0.561 1.00 0.00 N ATOM 771 CA ARG A 55 1.160 8.547 -0.464 1.00 0.00 C ATOM 772 C ARG A 55 1.761 9.294 -1.656 1.00 0.00 C ATOM 773 O ARG A 55 1.077 10.082 -2.308 1.00 0.00 O ATOM 774 CB ARG A 55 1.720 9.135 0.833 1.00 0.00 C ATOM 775 CG ARG A 55 1.549 8.157 1.997 1.00 0.00 C ATOM 776 CD ARG A 55 1.427 8.904 3.327 1.00 0.00 C ATOM 777 NE ARG A 55 2.511 8.486 4.244 1.00 0.00 N ATOM 778 CZ ARG A 55 2.467 8.633 5.575 1.00 0.00 C ATOM 779 NH1 ARG A 55 1.394 9.190 6.153 1.00 0.00 N ATOM 780 NH2 ARG A 55 3.497 8.225 6.329 1.00 0.00 N ATOM 0 H ARG A 55 1.939 6.734 0.243 1.00 0.00 H new ATOM 0 HA ARG A 55 0.077 8.666 -0.466 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.776 9.370 0.703 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.211 10.071 1.062 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.661 7.546 1.836 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.401 7.478 2.034 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.479 9.979 3.156 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.457 8.700 3.780 1.00 0.00 H new ATOM 0 HE ARG A 55 3.343 8.059 3.837 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.610 9.502 5.580 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.361 9.302 7.166 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.315 7.802 5.890 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.463 8.337 7.342 1.00 0.00 H new ATOM 794 N GLU A 56 3.033 9.020 -1.905 1.00 0.00 N ATOM 795 CA GLU A 56 3.734 9.656 -3.007 1.00 0.00 C ATOM 796 C GLU A 56 3.046 9.327 -4.334 1.00 0.00 C ATOM 797 O GLU A 56 3.050 10.140 -5.258 1.00 0.00 O ATOM 798 CB GLU A 56 5.205 9.240 -3.035 1.00 0.00 C ATOM 799 CG GLU A 56 5.979 9.884 -1.882 1.00 0.00 C ATOM 800 CD GLU A 56 7.266 10.540 -2.385 1.00 0.00 C ATOM 801 OE1 GLU A 56 7.153 11.642 -2.965 1.00 0.00 O ATOM 802 OE2 GLU A 56 8.335 9.926 -2.179 1.00 0.00 O ATOM 0 H GLU A 56 3.597 8.366 -1.362 1.00 0.00 H new ATOM 0 HA GLU A 56 3.699 10.735 -2.859 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.281 8.155 -2.967 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.651 9.532 -3.985 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.354 10.630 -1.392 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.220 9.129 -1.134 1.00 0.00 H new ATOM 809 N SER A 57 2.471 8.135 -4.386 1.00 0.00 N ATOM 810 CA SER A 57 1.781 7.689 -5.584 1.00 0.00 C ATOM 811 C SER A 57 0.629 8.642 -5.910 1.00 0.00 C ATOM 812 O SER A 57 -0.028 9.158 -5.008 1.00 0.00 O ATOM 813 CB SER A 57 1.257 6.261 -5.419 1.00 0.00 C ATOM 814 OG SER A 57 2.275 5.366 -4.977 1.00 0.00 O ATOM 0 H SER A 57 2.469 7.464 -3.618 1.00 0.00 H new ATOM 0 HA SER A 57 2.493 7.693 -6.410 1.00 0.00 H new ATOM 0 HB2 SER A 57 0.435 6.257 -4.703 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.854 5.911 -6.369 1.00 0.00 H new ATOM 0 HG SER A 57 2.534 5.593 -4.059 1.00 0.00 H new ATOM 820 N GLY A 58 0.420 8.846 -7.203 1.00 0.00 N ATOM 821 CA GLY A 58 -0.641 9.728 -7.659 1.00 0.00 C ATOM 822 C GLY A 58 -2.017 9.128 -7.364 1.00 0.00 C ATOM 823 O GLY A 58 -2.813 8.912 -8.277 1.00 0.00 O ATOM 0 H GLY A 58 0.967 8.416 -7.949 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.550 10.697 -7.168 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.538 9.903 -8.730 1.00 0.00 H new ATOM 827 N MET A 59 -2.256 8.875 -6.086 1.00 0.00 N ATOM 828 CA MET A 59 -3.522 8.304 -5.659 1.00 0.00 C ATOM 829 C MET A 59 -4.165 9.155 -4.563 1.00 0.00 C ATOM 830 O MET A 59 -5.385 9.314 -4.530 1.00 0.00 O ATOM 831 CB MET A 59 -3.292 6.885 -5.136 1.00 0.00 C ATOM 832 CG MET A 59 -3.417 5.858 -6.263 1.00 0.00 C ATOM 833 SD MET A 59 -4.003 4.304 -5.610 1.00 0.00 S ATOM 834 CE MET A 59 -2.458 3.421 -5.476 1.00 0.00 C ATOM 0 H MET A 59 -1.594 9.055 -5.331 1.00 0.00 H new ATOM 0 HA MET A 59 -4.196 8.280 -6.516 1.00 0.00 H new ATOM 0 HB2 MET A 59 -2.302 6.816 -4.685 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.016 6.661 -4.353 1.00 0.00 H new ATOM 0 HG2 MET A 59 -4.105 6.224 -7.025 1.00 0.00 H new ATOM 0 HG3 MET A 59 -2.450 5.717 -6.747 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.641 2.429 -5.064 1.00 0.00 H new ATOM 0 HE2 MET A 59 -2.006 3.326 -6.463 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.782 3.968 -4.819 1.00 0.00 H new ATOM 844 N ASN A 60 -3.317 9.680 -3.691 1.00 0.00 N ATOM 845 CA ASN A 60 -3.787 10.511 -2.596 1.00 0.00 C ATOM 846 C ASN A 60 -4.679 9.676 -1.675 1.00 0.00 C ATOM 847 O ASN A 60 -5.866 9.963 -1.528 1.00 0.00 O ATOM 848 CB ASN A 60 -4.614 11.689 -3.114 1.00 0.00 C ATOM 849 CG ASN A 60 -3.743 12.935 -3.291 1.00 0.00 C ATOM 850 OD1 ASN A 60 -2.543 12.861 -3.497 1.00 0.00 O ATOM 851 ND2 ASN A 60 -4.413 14.080 -3.201 1.00 0.00 N ATOM 0 H ASN A 60 -2.306 9.546 -3.721 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.916 10.890 -2.062 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.074 11.424 -4.066 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -5.424 11.903 -2.417 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.922 14.968 -3.306 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -5.418 14.070 -3.027 1.00 0.00 H new ATOM 858 N LEU A 61 -4.073 8.660 -1.079 1.00 0.00 N ATOM 859 CA LEU A 61 -4.797 7.782 -0.176 1.00 0.00 C ATOM 860 C LEU A 61 -4.200 7.896 1.228 1.00 0.00 C ATOM 861 O LEU A 61 -3.127 8.470 1.405 1.00 0.00 O ATOM 862 CB LEU A 61 -4.818 6.353 -0.721 1.00 0.00 C ATOM 863 CG LEU A 61 -5.703 6.115 -1.947 1.00 0.00 C ATOM 864 CD1 LEU A 61 -5.259 4.866 -2.710 1.00 0.00 C ATOM 865 CD2 LEU A 61 -7.180 6.051 -1.553 1.00 0.00 C ATOM 0 H LEU A 61 -3.088 8.425 -1.204 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.841 8.087 -0.104 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.797 6.067 -0.974 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.148 5.686 0.076 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.586 6.963 -2.622 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.904 4.720 -3.576 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.228 4.990 -3.042 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.327 3.997 -2.056 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.787 5.881 -2.442 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.333 5.234 -0.848 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.474 6.992 -1.088 1.00 0.00 H new ATOM 877 N ASN A 62 -4.921 7.339 2.190 1.00 0.00 N ATOM 878 CA ASN A 62 -4.476 7.371 3.573 1.00 0.00 C ATOM 879 C ASN A 62 -4.220 5.942 4.054 1.00 0.00 C ATOM 880 O ASN A 62 -5.102 5.310 4.634 1.00 0.00 O ATOM 881 CB ASN A 62 -5.540 7.992 4.480 1.00 0.00 C ATOM 882 CG ASN A 62 -4.935 8.428 5.816 1.00 0.00 C ATOM 883 OD1 ASN A 62 -3.731 8.432 6.010 1.00 0.00 O ATOM 884 ND2 ASN A 62 -5.836 8.793 6.724 1.00 0.00 N ATOM 0 H ASN A 62 -5.810 6.863 2.039 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.567 7.971 3.621 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -5.990 8.851 3.983 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.338 7.271 4.656 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.533 9.100 7.648 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.830 8.766 6.496 1.00 0.00 H new ATOM 891 N PRO A 63 -2.975 5.461 3.790 1.00 0.00 N ATOM 892 CA PRO A 63 -2.591 4.118 4.190 1.00 0.00 C ATOM 893 C PRO A 63 -2.337 4.046 5.697 1.00 0.00 C ATOM 894 O PRO A 63 -1.903 5.024 6.304 1.00 0.00 O ATOM 895 CB PRO A 63 -1.356 3.799 3.364 1.00 0.00 C ATOM 896 CG PRO A 63 -0.823 5.137 2.877 1.00 0.00 C ATOM 897 CD PRO A 63 -1.905 6.180 3.107 1.00 0.00 C ATOM 0 HA PRO A 63 -3.376 3.384 4.007 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.610 3.276 3.963 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.604 3.149 2.525 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.086 5.405 3.415 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.563 5.083 1.820 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.535 7.007 3.712 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.252 6.605 2.165 1.00 0.00 H new ATOM 905 N GLU A 64 -2.618 2.879 6.258 1.00 0.00 N ATOM 906 CA GLU A 64 -2.425 2.667 7.682 1.00 0.00 C ATOM 907 C GLU A 64 -1.218 1.759 7.925 1.00 0.00 C ATOM 908 O GLU A 64 -0.588 1.291 6.978 1.00 0.00 O ATOM 909 CB GLU A 64 -3.686 2.087 8.326 1.00 0.00 C ATOM 910 CG GLU A 64 -4.669 3.197 8.705 1.00 0.00 C ATOM 911 CD GLU A 64 -5.590 2.750 9.841 1.00 0.00 C ATOM 912 OE1 GLU A 64 -5.166 2.898 11.008 1.00 0.00 O ATOM 913 OE2 GLU A 64 -6.698 2.270 9.518 1.00 0.00 O ATOM 0 H GLU A 64 -2.978 2.070 5.752 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.229 3.632 8.150 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.165 1.393 7.636 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.415 1.517 9.215 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.118 4.087 9.008 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.266 3.472 7.835 1.00 0.00 H new ATOM 920 N VAL A 65 -0.933 1.536 9.200 1.00 0.00 N ATOM 921 CA VAL A 65 0.187 0.691 9.579 1.00 0.00 C ATOM 922 C VAL A 65 -0.063 0.115 10.974 1.00 0.00 C ATOM 923 O VAL A 65 -0.198 0.861 11.943 1.00 0.00 O ATOM 924 CB VAL A 65 1.494 1.482 9.485 1.00 0.00 C ATOM 925 CG1 VAL A 65 1.589 2.520 10.605 1.00 0.00 C ATOM 926 CG2 VAL A 65 2.704 0.546 9.501 1.00 0.00 C ATOM 0 H VAL A 65 -1.458 1.926 9.983 1.00 0.00 H new ATOM 0 HA VAL A 65 0.280 -0.150 8.892 1.00 0.00 H new ATOM 0 HB VAL A 65 1.495 2.015 8.534 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.527 3.068 10.515 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.754 3.216 10.528 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.554 2.017 11.571 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.620 1.134 9.433 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.709 -0.027 10.428 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.647 -0.137 8.653 1.00 0.00 H new ATOM 936 N GLU A 66 -0.118 -1.208 11.031 1.00 0.00 N ATOM 937 CA GLU A 66 -0.351 -1.893 12.291 1.00 0.00 C ATOM 938 C GLU A 66 0.732 -2.948 12.529 1.00 0.00 C ATOM 939 O GLU A 66 0.716 -4.010 11.910 1.00 0.00 O ATOM 940 CB GLU A 66 -1.745 -2.521 12.325 1.00 0.00 C ATOM 941 CG GLU A 66 -2.686 -1.721 13.228 1.00 0.00 C ATOM 942 CD GLU A 66 -2.997 -2.490 14.514 1.00 0.00 C ATOM 943 OE1 GLU A 66 -2.033 -3.021 15.105 1.00 0.00 O ATOM 944 OE2 GLU A 66 -4.193 -2.528 14.876 1.00 0.00 O ATOM 0 H GLU A 66 -0.005 -1.823 10.225 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.300 -1.159 13.096 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -2.153 -2.563 11.315 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.676 -3.548 12.684 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.231 -0.762 13.475 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.612 -1.507 12.695 1.00 0.00 H new ATOM 951 N GLY A 67 1.647 -2.618 13.429 1.00 0.00 N ATOM 952 CA GLY A 67 2.735 -3.523 13.756 1.00 0.00 C ATOM 953 C GLY A 67 3.698 -3.672 12.577 1.00 0.00 C ATOM 954 O GLY A 67 4.713 -2.981 12.509 1.00 0.00 O ATOM 0 H GLY A 67 1.657 -1.736 13.942 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.275 -3.149 14.626 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.332 -4.499 14.026 1.00 0.00 H new ATOM 958 N THR A 68 3.346 -4.579 11.678 1.00 0.00 N ATOM 959 CA THR A 68 4.167 -4.827 10.505 1.00 0.00 C ATOM 960 C THR A 68 3.285 -5.065 9.277 1.00 0.00 C ATOM 961 O THR A 68 3.761 -5.545 8.250 1.00 0.00 O ATOM 962 CB THR A 68 5.099 -5.999 10.819 1.00 0.00 C ATOM 963 OG1 THR A 68 4.341 -6.817 11.707 1.00 0.00 O ATOM 964 CG2 THR A 68 6.313 -5.575 11.648 1.00 0.00 C ATOM 0 H THR A 68 2.504 -5.151 11.738 1.00 0.00 H new ATOM 0 HA THR A 68 4.781 -3.960 10.262 1.00 0.00 H new ATOM 0 HB THR A 68 5.436 -6.454 9.888 1.00 0.00 H new ATOM 0 HG1 THR A 68 4.870 -7.602 11.960 1.00 0.00 H new ATOM 0 HG21 THR A 68 6.942 -6.444 11.843 1.00 0.00 H new ATOM 0 HG22 THR A 68 6.886 -4.828 11.098 1.00 0.00 H new ATOM 0 HG23 THR A 68 5.977 -5.150 12.594 1.00 0.00 H new ATOM 972 N LEU A 69 2.014 -4.719 9.425 1.00 0.00 N ATOM 973 CA LEU A 69 1.061 -4.889 8.342 1.00 0.00 C ATOM 974 C LEU A 69 0.432 -3.535 8.005 1.00 0.00 C ATOM 975 O LEU A 69 -0.179 -2.900 8.862 1.00 0.00 O ATOM 976 CB LEU A 69 0.039 -5.972 8.692 1.00 0.00 C ATOM 977 CG LEU A 69 0.304 -7.360 8.105 1.00 0.00 C ATOM 978 CD1 LEU A 69 1.395 -8.088 8.892 1.00 0.00 C ATOM 979 CD2 LEU A 69 -0.987 -8.177 8.025 1.00 0.00 C ATOM 0 H LEU A 69 1.623 -4.322 10.279 1.00 0.00 H new ATOM 0 HA LEU A 69 1.566 -5.240 7.442 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.009 -6.061 9.777 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.943 -5.639 8.356 1.00 0.00 H new ATOM 0 HG LEU A 69 0.670 -7.236 7.086 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.564 -9.072 8.454 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.318 -7.510 8.854 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.081 -8.201 9.930 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.771 -9.159 7.604 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -1.406 -8.295 9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -1.706 -7.660 7.389 1.00 0.00 H new ATOM 991 N ILE A 70 0.604 -3.134 6.754 1.00 0.00 N ATOM 992 CA ILE A 70 0.061 -1.868 6.293 1.00 0.00 C ATOM 993 C ILE A 70 -1.368 -2.083 5.790 1.00 0.00 C ATOM 994 O ILE A 70 -1.642 -3.055 5.087 1.00 0.00 O ATOM 995 CB ILE A 70 0.989 -1.233 5.255 1.00 0.00 C ATOM 996 CG1 ILE A 70 2.398 -1.045 5.821 1.00 0.00 C ATOM 997 CG2 ILE A 70 0.404 0.078 4.726 1.00 0.00 C ATOM 998 CD1 ILE A 70 3.392 -0.694 4.713 1.00 0.00 C ATOM 0 H ILE A 70 1.112 -3.664 6.045 1.00 0.00 H new ATOM 0 HA ILE A 70 0.006 -1.155 7.116 1.00 0.00 H new ATOM 0 HB ILE A 70 1.071 -1.914 4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.390 -0.254 6.571 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.716 -1.958 6.324 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.083 0.509 3.990 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.561 -0.117 4.259 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.273 0.777 5.552 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.386 -0.566 5.143 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.416 -1.498 3.977 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.084 0.232 4.228 1.00 0.00 H new ATOM 1010 N ARG A 71 -2.240 -1.162 6.170 1.00 0.00 N ATOM 1011 CA ARG A 71 -3.634 -1.239 5.767 1.00 0.00 C ATOM 1012 C ARG A 71 -3.958 -0.130 4.763 1.00 0.00 C ATOM 1013 O ARG A 71 -3.766 1.050 5.053 1.00 0.00 O ATOM 1014 CB ARG A 71 -4.565 -1.112 6.974 1.00 0.00 C ATOM 1015 CG ARG A 71 -5.159 -2.470 7.353 1.00 0.00 C ATOM 1016 CD ARG A 71 -6.294 -2.309 8.367 1.00 0.00 C ATOM 1017 NE ARG A 71 -5.951 -3.006 9.626 1.00 0.00 N ATOM 1018 CZ ARG A 71 -5.915 -4.339 9.762 1.00 0.00 C ATOM 1019 NH1 ARG A 71 -6.200 -5.126 8.716 1.00 0.00 N ATOM 1020 NH2 ARG A 71 -5.593 -4.884 10.943 1.00 0.00 N ATOM 0 H ARG A 71 -2.009 -0.358 6.753 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.791 -2.213 5.303 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.014 -0.703 7.821 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.368 -0.411 6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.533 -2.969 6.459 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.380 -3.107 7.772 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.470 -1.251 8.564 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.219 -2.715 7.957 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.728 -2.436 10.442 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.444 -4.711 7.817 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -6.173 -6.140 8.819 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -5.375 -4.284 11.739 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -5.566 -5.898 11.046 1.00 0.00 H new ATOM 1034 N VAL A 72 -4.444 -0.549 3.604 1.00 0.00 N ATOM 1035 CA VAL A 72 -4.797 0.394 2.556 1.00 0.00 C ATOM 1036 C VAL A 72 -6.294 0.282 2.258 1.00 0.00 C ATOM 1037 O VAL A 72 -6.717 -0.596 1.509 1.00 0.00 O ATOM 1038 CB VAL A 72 -3.923 0.157 1.323 1.00 0.00 C ATOM 1039 CG1 VAL A 72 -4.701 0.440 0.036 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -2.646 0.997 1.387 1.00 0.00 C ATOM 0 H VAL A 72 -4.602 -1.529 3.367 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.606 1.416 2.882 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.633 -0.894 1.315 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.056 0.264 -0.825 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.567 -0.220 -0.018 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -5.034 1.478 0.033 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -2.043 0.810 0.499 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.908 2.054 1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.077 0.726 2.276 1.00 0.00 H new ATOM 1050 N PRO A 73 -7.073 1.209 2.876 1.00 0.00 N ATOM 1051 CA PRO A 73 -8.514 1.223 2.685 1.00 0.00 C ATOM 1052 C PRO A 73 -8.879 1.784 1.309 1.00 0.00 C ATOM 1053 O PRO A 73 -8.428 2.866 0.936 1.00 0.00 O ATOM 1054 CB PRO A 73 -9.055 2.063 3.831 1.00 0.00 C ATOM 1055 CG PRO A 73 -7.875 2.869 4.350 1.00 0.00 C ATOM 1056 CD PRO A 73 -6.606 2.265 3.771 1.00 0.00 C ATOM 0 HA PRO A 73 -8.950 0.224 2.701 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -9.856 2.719 3.490 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.472 1.431 4.615 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -7.968 3.915 4.056 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -7.846 2.845 5.439 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.022 3.011 3.232 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -5.964 1.864 4.556 1.00 0.00 H new ATOM 1064 N ILE A 74 -9.691 1.022 0.591 1.00 0.00 N ATOM 1065 CA ILE A 74 -10.121 1.429 -0.735 1.00 0.00 C ATOM 1066 C ILE A 74 -11.364 2.313 -0.615 1.00 0.00 C ATOM 1067 O ILE A 74 -12.248 2.040 0.195 1.00 0.00 O ATOM 1068 CB ILE A 74 -10.322 0.206 -1.632 1.00 0.00 C ATOM 1069 CG1 ILE A 74 -9.050 -0.643 -1.694 1.00 0.00 C ATOM 1070 CG2 ILE A 74 -10.803 0.620 -3.025 1.00 0.00 C ATOM 1071 CD1 ILE A 74 -8.477 -0.669 -3.112 1.00 0.00 C ATOM 0 H ILE A 74 -10.062 0.125 0.903 1.00 0.00 H new ATOM 0 HA ILE A 74 -9.349 2.027 -1.218 1.00 0.00 H new ATOM 0 HB ILE A 74 -11.103 -0.415 -1.193 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.307 -0.242 -1.005 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.271 -1.660 -1.368 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.938 -0.268 -3.642 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.752 1.150 -2.940 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -10.062 1.273 -3.486 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -7.574 -1.279 -3.128 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.214 -1.093 -3.794 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -8.235 0.347 -3.425 1.00 0.00 H new ATOM 1083 N PRO A 75 -11.392 3.383 -1.454 1.00 0.00 N ATOM 1084 CA PRO A 75 -12.512 4.309 -1.449 1.00 0.00 C ATOM 1085 C PRO A 75 -13.734 3.695 -2.135 1.00 0.00 C ATOM 1086 O PRO A 75 -13.805 2.480 -2.315 1.00 0.00 O ATOM 1087 CB PRO A 75 -11.997 5.552 -2.156 1.00 0.00 C ATOM 1088 CG PRO A 75 -10.770 5.110 -2.936 1.00 0.00 C ATOM 1089 CD PRO A 75 -10.363 3.738 -2.427 1.00 0.00 C ATOM 0 HA PRO A 75 -12.853 4.551 -0.443 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.755 5.965 -2.822 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.743 6.332 -1.439 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.990 5.072 -4.003 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -9.956 5.823 -2.804 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -10.318 3.012 -3.239 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -9.375 3.763 -1.967 1.00 0.00 H new ATOM 1097 N LYS A 76 -14.667 4.563 -2.499 1.00 0.00 N ATOM 1098 CA LYS A 76 -15.883 4.121 -3.161 1.00 0.00 C ATOM 1099 C LYS A 76 -15.562 3.746 -4.609 1.00 0.00 C ATOM 1100 O LYS A 76 -14.805 4.443 -5.282 1.00 0.00 O ATOM 1101 CB LYS A 76 -16.979 5.180 -3.028 1.00 0.00 C ATOM 1102 CG LYS A 76 -16.448 6.568 -3.390 1.00 0.00 C ATOM 1103 CD LYS A 76 -17.558 7.445 -3.973 1.00 0.00 C ATOM 1104 CE LYS A 76 -17.027 8.832 -4.338 1.00 0.00 C ATOM 1105 NZ LYS A 76 -16.933 8.982 -5.807 1.00 0.00 N ATOM 0 H LYS A 76 -14.605 5.570 -2.348 1.00 0.00 H new ATOM 0 HA LYS A 76 -16.276 3.226 -2.679 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -17.816 4.926 -3.679 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -17.360 5.188 -2.007 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -16.031 7.045 -2.503 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -15.637 6.474 -4.112 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -17.976 6.967 -4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.368 7.541 -3.250 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -17.686 9.599 -3.930 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.046 8.982 -3.888 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.571 9.929 -6.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -16.287 8.262 -6.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -17.875 8.860 -6.229 1.00 0.00 H new ATOM 1119 N VAL A 77 -16.155 2.644 -5.046 1.00 0.00 N ATOM 1120 CA VAL A 77 -15.942 2.167 -6.402 1.00 0.00 C ATOM 1121 C VAL A 77 -16.020 3.348 -7.371 1.00 0.00 C ATOM 1122 O VAL A 77 -17.013 4.075 -7.391 1.00 0.00 O ATOM 1123 CB VAL A 77 -16.943 1.057 -6.730 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -16.800 0.602 -8.183 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -16.788 -0.122 -5.767 1.00 0.00 C ATOM 0 H VAL A 77 -16.783 2.068 -4.485 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.949 1.730 -6.502 1.00 0.00 H new ATOM 0 HB VAL A 77 -17.947 1.462 -6.604 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -17.523 -0.187 -8.390 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -16.984 1.446 -8.848 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -15.791 0.223 -8.348 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -17.511 -0.897 -6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -15.779 -0.526 -5.846 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -16.964 0.217 -4.746 1.00 0.00 H new ATOM 1135 N THR A 78 -14.960 3.504 -8.151 1.00 0.00 N ATOM 1136 CA THR A 78 -14.897 4.584 -9.121 1.00 0.00 C ATOM 1137 C THR A 78 -15.114 4.044 -10.536 1.00 0.00 C ATOM 1138 O THR A 78 -16.085 4.406 -11.200 1.00 0.00 O ATOM 1139 CB THR A 78 -13.557 5.300 -8.943 1.00 0.00 C ATOM 1140 OG1 THR A 78 -13.716 6.040 -7.735 1.00 0.00 O ATOM 1141 CG2 THR A 78 -13.320 6.373 -10.008 1.00 0.00 C ATOM 0 H THR A 78 -14.138 2.900 -8.131 1.00 0.00 H new ATOM 0 HA THR A 78 -15.694 5.309 -8.958 1.00 0.00 H new ATOM 0 HB THR A 78 -12.749 4.570 -8.977 1.00 0.00 H new ATOM 0 HG1 THR A 78 -13.923 5.426 -7.000 1.00 0.00 H new ATOM 0 HG21 THR A 78 -12.355 6.850 -9.835 1.00 0.00 H new ATOM 0 HG22 THR A 78 -13.326 5.913 -10.996 1.00 0.00 H new ATOM 0 HG23 THR A 78 -14.110 7.122 -9.952 1.00 0.00 H new ATOM 1149 N SER A 79 -14.195 3.188 -10.956 1.00 0.00 N ATOM 1150 CA SER A 79 -14.274 2.595 -12.280 1.00 0.00 C ATOM 1151 C SER A 79 -15.039 1.271 -12.216 1.00 0.00 C ATOM 1152 O SER A 79 -14.511 0.268 -11.737 1.00 0.00 O ATOM 1153 CB SER A 79 -12.879 2.374 -12.869 1.00 0.00 C ATOM 1154 OG SER A 79 -12.930 2.053 -14.256 1.00 0.00 O ATOM 0 H SER A 79 -13.391 2.891 -10.403 1.00 0.00 H new ATOM 0 HA SER A 79 -14.809 3.285 -12.932 1.00 0.00 H new ATOM 0 HB2 SER A 79 -12.279 3.273 -12.727 1.00 0.00 H new ATOM 0 HB3 SER A 79 -12.381 1.569 -12.329 1.00 0.00 H new ATOM 0 HG SER A 79 -12.020 1.921 -14.595 1.00 0.00 H new ATOM 1160 N GLY A 80 -16.269 1.311 -12.705 1.00 0.00 N ATOM 1161 CA GLY A 80 -17.112 0.127 -12.709 1.00 0.00 C ATOM 1162 C GLY A 80 -16.385 -1.061 -13.342 1.00 0.00 C ATOM 1163 O GLY A 80 -16.205 -1.107 -14.558 1.00 0.00 O ATOM 0 H GLY A 80 -16.703 2.145 -13.101 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -17.401 -0.121 -11.688 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -18.030 0.332 -13.260 1.00 0.00 H new ATOM 1167 N PRO A 81 -15.976 -2.017 -12.466 1.00 0.00 N ATOM 1168 CA PRO A 81 -15.272 -3.202 -12.926 1.00 0.00 C ATOM 1169 C PRO A 81 -16.233 -4.183 -13.601 1.00 0.00 C ATOM 1170 O PRO A 81 -17.450 -4.023 -13.516 1.00 0.00 O ATOM 1171 CB PRO A 81 -14.614 -3.777 -11.682 1.00 0.00 C ATOM 1172 CG PRO A 81 -15.348 -3.163 -10.501 1.00 0.00 C ATOM 1173 CD PRO A 81 -16.171 -1.995 -11.019 1.00 0.00 C ATOM 0 HA PRO A 81 -14.525 -2.978 -13.688 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -14.690 -4.864 -11.667 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -13.552 -3.531 -11.653 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.992 -3.903 -10.026 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -14.639 -2.825 -9.745 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -17.224 -2.107 -10.760 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -15.835 -1.052 -10.588 1.00 0.00 H new ATOM 1181 N SER A 82 -15.650 -5.176 -14.256 1.00 0.00 N ATOM 1182 CA SER A 82 -16.440 -6.183 -14.945 1.00 0.00 C ATOM 1183 C SER A 82 -17.041 -7.160 -13.933 1.00 0.00 C ATOM 1184 O SER A 82 -18.260 -7.232 -13.783 1.00 0.00 O ATOM 1185 CB SER A 82 -15.594 -6.937 -15.973 1.00 0.00 C ATOM 1186 OG SER A 82 -16.170 -6.890 -17.276 1.00 0.00 O ATOM 0 H SER A 82 -14.641 -5.305 -14.324 1.00 0.00 H new ATOM 0 HA SER A 82 -17.247 -5.680 -15.477 1.00 0.00 H new ATOM 0 HB2 SER A 82 -14.593 -6.508 -16.004 1.00 0.00 H new ATOM 0 HB3 SER A 82 -15.486 -7.976 -15.662 1.00 0.00 H new ATOM 0 HG SER A 82 -15.600 -7.381 -17.904 1.00 0.00 H new ATOM 1192 N SER A 83 -16.158 -7.887 -13.264 1.00 0.00 N ATOM 1193 CA SER A 83 -16.587 -8.856 -12.270 1.00 0.00 C ATOM 1194 C SER A 83 -15.375 -9.387 -11.500 1.00 0.00 C ATOM 1195 O SER A 83 -14.609 -10.194 -12.022 1.00 0.00 O ATOM 1196 CB SER A 83 -17.350 -10.011 -12.920 1.00 0.00 C ATOM 1197 OG SER A 83 -16.617 -10.599 -13.992 1.00 0.00 O ATOM 0 H SER A 83 -15.148 -7.824 -13.391 1.00 0.00 H new ATOM 0 HA SER A 83 -17.262 -8.357 -11.574 1.00 0.00 H new ATOM 0 HB2 SER A 83 -17.566 -10.771 -12.169 1.00 0.00 H new ATOM 0 HB3 SER A 83 -18.308 -9.649 -13.292 1.00 0.00 H new ATOM 0 HG SER A 83 -15.672 -10.667 -13.743 1.00 0.00 H new ATOM 1203 N GLY A 84 -15.240 -8.911 -10.271 1.00 0.00 N ATOM 1204 CA GLY A 84 -14.135 -9.327 -9.424 1.00 0.00 C ATOM 1205 C GLY A 84 -14.496 -9.187 -7.944 1.00 0.00 C ATOM 1206 O GLY A 84 -13.686 -9.499 -7.072 1.00 0.00 O ATOM 0 H GLY A 84 -15.878 -8.241 -9.841 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -13.875 -10.363 -9.642 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -13.255 -8.724 -9.646 1.00 0.00 H new TER 1210 GLY A 84