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 57 SER OG : rot 90:sc= -1.19 USER MOD Set 1.2: A 59 MET CE :methyl 148:sc= -4.16! (180deg=-2.79!) USER MOD Set 2.1: A 40 MET CE :methyl -111:sc= -4.35 (180deg=-9.95!) USER MOD Set 2.2: A 47 THR OG1 : rot -170:sc= -0.269 USER MOD Set 3.1: A 23 ASN : amide:sc= -3.75! C(o=-6.8!,f=-6.4!) USER MOD Set 3.2: A 24 GLN : amide:sc= -3.02! C(o=-6.8!,f=-6.4!) USER MOD Single : A 1 GLY N :NH3+ -154:sc= 0.00253 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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= -1.48 X(o=-1.5,f=-1.2) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc=0.000344 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 MET CE :methyl -164:sc= -0.0427 (180deg=-0.134) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 SER OG : rot 121:sc= -2.97! USER MOD Single : A 34 GLN : amide:sc= -0.0109 X(o=-0.011,f=-0.33) USER MOD Single : A 39 ASN : amide:sc= -0.257 K(o=-0.26,f=-7.5!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 CYS SG : rot 180:sc= -0.342 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.295 K(o=-0.29,f=-2.4!) USER MOD Single : A 62 ASN : amide:sc= -0.0136 X(o=-0.014,f=-0.035) 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 -66:sc= 1.26 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 20:sc= 0.93 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.531 -9.186 -8.349 1.00 0.00 N ATOM 2 CA GLY A 1 -10.802 -9.824 -8.642 1.00 0.00 C ATOM 3 C GLY A 1 -11.790 -8.827 -9.251 1.00 0.00 C ATOM 4 O GLY A 1 -11.423 -8.036 -10.119 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.773 -9.898 -8.365 1.00 0.00 H new ATOM 0 H2 GLY A 1 -9.336 -8.457 -9.064 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.572 -8.746 -7.408 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.646 -10.654 -9.332 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.221 -10.244 -7.728 1.00 0.00 H new ATOM 8 N SER A 2 -13.023 -8.896 -8.772 1.00 0.00 N ATOM 9 CA SER A 2 -14.066 -8.009 -9.258 1.00 0.00 C ATOM 10 C SER A 2 -14.320 -6.894 -8.241 1.00 0.00 C ATOM 11 O SER A 2 -14.334 -7.139 -7.036 1.00 0.00 O ATOM 12 CB SER A 2 -15.358 -8.778 -9.536 1.00 0.00 C ATOM 13 OG SER A 2 -15.216 -9.685 -10.625 1.00 0.00 O ATOM 0 H SER A 2 -13.323 -9.553 -8.052 1.00 0.00 H new ATOM 0 HA SER A 2 -13.730 -7.567 -10.196 1.00 0.00 H new ATOM 0 HB2 SER A 2 -15.652 -9.328 -8.642 1.00 0.00 H new ATOM 0 HB3 SER A 2 -16.160 -8.073 -9.754 1.00 0.00 H new ATOM 0 HG SER A 2 -16.062 -10.158 -10.769 1.00 0.00 H new ATOM 19 N SER A 3 -14.514 -5.692 -8.764 1.00 0.00 N ATOM 20 CA SER A 3 -14.767 -4.539 -7.918 1.00 0.00 C ATOM 21 C SER A 3 -13.602 -4.337 -6.947 1.00 0.00 C ATOM 22 O SER A 3 -13.524 -5.005 -5.917 1.00 0.00 O ATOM 23 CB SER A 3 -16.079 -4.699 -7.146 1.00 0.00 C ATOM 24 OG SER A 3 -17.171 -4.074 -7.815 1.00 0.00 O ATOM 0 H SER A 3 -14.501 -5.492 -9.764 1.00 0.00 H new ATOM 0 HA SER A 3 -14.857 -3.660 -8.556 1.00 0.00 H new ATOM 0 HB2 SER A 3 -16.294 -5.759 -7.013 1.00 0.00 H new ATOM 0 HB3 SER A 3 -15.969 -4.268 -6.151 1.00 0.00 H new ATOM 0 HG SER A 3 -17.990 -4.200 -7.292 1.00 0.00 H new ATOM 30 N GLY A 4 -12.724 -3.413 -7.310 1.00 0.00 N ATOM 31 CA GLY A 4 -11.567 -3.114 -6.484 1.00 0.00 C ATOM 32 C GLY A 4 -10.372 -2.698 -7.344 1.00 0.00 C ATOM 33 O GLY A 4 -10.213 -1.521 -7.665 1.00 0.00 O ATOM 0 H GLY A 4 -12.791 -2.862 -8.165 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.812 -2.315 -5.784 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -11.305 -3.989 -5.889 1.00 0.00 H new ATOM 37 N SER A 5 -9.562 -3.687 -7.694 1.00 0.00 N ATOM 38 CA SER A 5 -8.387 -3.439 -8.511 1.00 0.00 C ATOM 39 C SER A 5 -7.347 -2.655 -7.707 1.00 0.00 C ATOM 40 O SER A 5 -7.300 -1.428 -7.775 1.00 0.00 O ATOM 41 CB SER A 5 -8.754 -2.679 -9.787 1.00 0.00 C ATOM 42 OG SER A 5 -8.651 -3.501 -10.946 1.00 0.00 O ATOM 0 H SER A 5 -9.697 -4.662 -7.426 1.00 0.00 H new ATOM 0 HA SER A 5 -7.963 -4.400 -8.802 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.772 -2.298 -9.702 1.00 0.00 H new ATOM 0 HB3 SER A 5 -8.098 -1.815 -9.896 1.00 0.00 H new ATOM 0 HG SER A 5 -8.895 -2.980 -11.739 1.00 0.00 H new ATOM 48 N SER A 6 -6.539 -3.397 -6.963 1.00 0.00 N ATOM 49 CA SER A 6 -5.503 -2.787 -6.147 1.00 0.00 C ATOM 50 C SER A 6 -4.455 -2.123 -7.043 1.00 0.00 C ATOM 51 O SER A 6 -4.277 -2.517 -8.194 1.00 0.00 O ATOM 52 CB SER A 6 -4.842 -3.821 -5.233 1.00 0.00 C ATOM 53 OG SER A 6 -4.135 -4.812 -5.973 1.00 0.00 O ATOM 0 H SER A 6 -6.581 -4.415 -6.908 1.00 0.00 H new ATOM 0 HA SER A 6 -5.966 -2.028 -5.516 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.155 -3.317 -4.553 1.00 0.00 H new ATOM 0 HB3 SER A 6 -5.603 -4.302 -4.619 1.00 0.00 H new ATOM 0 HG SER A 6 -3.726 -5.452 -5.354 1.00 0.00 H new ATOM 59 N GLY A 7 -3.789 -1.125 -6.480 1.00 0.00 N ATOM 60 CA GLY A 7 -2.764 -0.402 -7.213 1.00 0.00 C ATOM 61 C GLY A 7 -1.566 -0.087 -6.314 1.00 0.00 C ATOM 62 O GLY A 7 -1.192 1.074 -6.156 1.00 0.00 O ATOM 0 H GLY A 7 -3.940 -0.800 -5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.436 -0.995 -8.067 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.180 0.525 -7.609 1.00 0.00 H new ATOM 66 N LEU A 8 -0.998 -1.142 -5.748 1.00 0.00 N ATOM 67 CA LEU A 8 0.149 -0.993 -4.869 1.00 0.00 C ATOM 68 C LEU A 8 1.275 -1.914 -5.346 1.00 0.00 C ATOM 69 O LEU A 8 2.426 -1.493 -5.446 1.00 0.00 O ATOM 70 CB LEU A 8 -0.258 -1.224 -3.413 1.00 0.00 C ATOM 71 CG LEU A 8 -0.767 0.005 -2.656 1.00 0.00 C ATOM 72 CD1 LEU A 8 -2.006 0.592 -3.335 1.00 0.00 C ATOM 73 CD2 LEU A 8 -1.022 -0.324 -1.184 1.00 0.00 C ATOM 0 H LEU A 8 -1.311 -2.104 -5.881 1.00 0.00 H new ATOM 0 HA LEU A 8 0.531 0.027 -4.911 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.035 -1.988 -3.391 1.00 0.00 H new ATOM 0 HB3 LEU A 8 0.601 -1.627 -2.876 1.00 0.00 H new ATOM 0 HG LEU A 8 0.009 0.770 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -2.348 1.464 -2.777 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.757 0.888 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.798 -0.157 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.383 0.567 -0.669 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.770 -1.113 -1.112 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -0.095 -0.660 -0.720 1.00 0.00 H new ATOM 85 N ASP A 9 0.902 -3.154 -5.628 1.00 0.00 N ATOM 86 CA ASP A 9 1.866 -4.138 -6.091 1.00 0.00 C ATOM 87 C ASP A 9 2.764 -3.503 -7.155 1.00 0.00 C ATOM 88 O ASP A 9 3.948 -3.824 -7.245 1.00 0.00 O ATOM 89 CB ASP A 9 1.163 -5.342 -6.722 1.00 0.00 C ATOM 90 CG ASP A 9 0.124 -4.997 -7.791 1.00 0.00 C ATOM 91 OD1 ASP A 9 -0.894 -4.377 -7.414 1.00 0.00 O ATOM 92 OD2 ASP A 9 0.371 -5.361 -8.961 1.00 0.00 O ATOM 0 H ASP A 9 -0.054 -3.500 -5.545 1.00 0.00 H new ATOM 0 HA ASP A 9 2.449 -4.470 -5.232 1.00 0.00 H new ATOM 0 HB2 ASP A 9 1.917 -5.992 -7.166 1.00 0.00 H new ATOM 0 HB3 ASP A 9 0.674 -5.913 -5.933 1.00 0.00 H new ATOM 97 N HIS A 10 2.166 -2.614 -7.935 1.00 0.00 N ATOM 98 CA HIS A 10 2.898 -1.932 -8.989 1.00 0.00 C ATOM 99 C HIS A 10 3.715 -0.787 -8.388 1.00 0.00 C ATOM 100 O HIS A 10 4.844 -0.538 -8.808 1.00 0.00 O ATOM 101 CB HIS A 10 1.948 -1.466 -10.095 1.00 0.00 C ATOM 102 CG HIS A 10 1.301 -0.129 -9.826 1.00 0.00 C ATOM 103 ND1 HIS A 10 0.274 0.037 -8.912 1.00 0.00 N ATOM 104 CD2 HIS A 10 1.546 1.103 -10.358 1.00 0.00 C ATOM 105 CE1 HIS A 10 -0.076 1.314 -8.904 1.00 0.00 C ATOM 106 NE2 HIS A 10 0.712 1.974 -9.801 1.00 0.00 N ATOM 0 H HIS A 10 1.184 -2.350 -7.858 1.00 0.00 H new ATOM 0 HA HIS A 10 3.598 -2.624 -9.458 1.00 0.00 H new ATOM 0 HB2 HIS A 10 2.500 -1.409 -11.033 1.00 0.00 H new ATOM 0 HB3 HIS A 10 1.168 -2.215 -10.229 1.00 0.00 H new ATOM 0 HD2 HIS A 10 2.292 1.331 -11.105 1.00 0.00 H new ATOM 0 HE1 HIS A 10 -0.850 1.756 -8.294 1.00 0.00 H new ATOM 0 HE2 HIS A 10 0.668 2.971 -10.010 1.00 0.00 H new ATOM 114 N ILE A 11 3.113 -0.120 -7.414 1.00 0.00 N ATOM 115 CA ILE A 11 3.771 0.993 -6.751 1.00 0.00 C ATOM 116 C ILE A 11 5.189 0.577 -6.352 1.00 0.00 C ATOM 117 O ILE A 11 5.439 -0.592 -6.065 1.00 0.00 O ATOM 118 CB ILE A 11 2.925 1.495 -5.579 1.00 0.00 C ATOM 119 CG1 ILE A 11 1.629 2.139 -6.075 1.00 0.00 C ATOM 120 CG2 ILE A 11 3.730 2.441 -4.687 1.00 0.00 C ATOM 121 CD1 ILE A 11 0.855 2.774 -4.919 1.00 0.00 C ATOM 0 H ILE A 11 2.177 -0.329 -7.068 1.00 0.00 H new ATOM 0 HA ILE A 11 3.866 1.839 -7.431 1.00 0.00 H new ATOM 0 HB ILE A 11 2.645 0.637 -4.968 1.00 0.00 H new ATOM 0 HG12 ILE A 11 1.859 2.897 -6.823 1.00 0.00 H new ATOM 0 HG13 ILE A 11 1.009 1.387 -6.563 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.105 2.783 -3.862 1.00 0.00 H new ATOM 0 HG22 ILE A 11 4.599 1.916 -4.291 1.00 0.00 H new ATOM 0 HG23 ILE A 11 4.060 3.299 -5.272 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -0.062 3.225 -5.299 1.00 0.00 H new ATOM 0 HD12 ILE A 11 0.606 2.009 -4.184 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.469 3.542 -4.449 1.00 0.00 H new ATOM 133 N THR A 12 6.079 1.558 -6.347 1.00 0.00 N ATOM 134 CA THR A 12 7.465 1.309 -5.988 1.00 0.00 C ATOM 135 C THR A 12 7.810 2.013 -4.674 1.00 0.00 C ATOM 136 O THR A 12 7.368 3.135 -4.432 1.00 0.00 O ATOM 137 CB THR A 12 8.343 1.748 -7.162 1.00 0.00 C ATOM 138 OG1 THR A 12 7.588 1.388 -8.315 1.00 0.00 O ATOM 139 CG2 THR A 12 9.622 0.916 -7.279 1.00 0.00 C ATOM 0 H THR A 12 5.868 2.527 -6.586 1.00 0.00 H new ATOM 0 HA THR A 12 7.643 0.249 -5.809 1.00 0.00 H new ATOM 0 HB THR A 12 8.603 2.800 -7.047 1.00 0.00 H new ATOM 0 HG1 THR A 12 8.084 1.639 -9.122 1.00 0.00 H new ATOM 0 HG21 THR A 12 10.209 1.268 -8.127 1.00 0.00 H new ATOM 0 HG22 THR A 12 10.207 1.018 -6.365 1.00 0.00 H new ATOM 0 HG23 THR A 12 9.362 -0.132 -7.428 1.00 0.00 H new ATOM 147 N VAL A 13 8.598 1.324 -3.861 1.00 0.00 N ATOM 148 CA VAL A 13 9.007 1.869 -2.578 1.00 0.00 C ATOM 149 C VAL A 13 10.521 2.092 -2.583 1.00 0.00 C ATOM 150 O VAL A 13 11.280 1.213 -2.989 1.00 0.00 O ATOM 151 CB VAL A 13 8.543 0.950 -1.446 1.00 0.00 C ATOM 152 CG1 VAL A 13 8.915 1.530 -0.080 1.00 0.00 C ATOM 153 CG2 VAL A 13 7.038 0.685 -1.538 1.00 0.00 C ATOM 0 H VAL A 13 8.964 0.394 -4.066 1.00 0.00 H new ATOM 0 HA VAL A 13 8.535 2.837 -2.407 1.00 0.00 H new ATOM 0 HB VAL A 13 9.059 -0.004 -1.556 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.573 0.857 0.706 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.997 1.644 -0.016 1.00 0.00 H new ATOM 0 HG13 VAL A 13 8.440 2.503 0.044 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.733 0.029 -0.722 1.00 0.00 H new ATOM 0 HG22 VAL A 13 6.497 1.629 -1.466 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.810 0.208 -2.491 1.00 0.00 H new ATOM 163 N VAL A 14 10.915 3.272 -2.128 1.00 0.00 N ATOM 164 CA VAL A 14 12.324 3.622 -2.075 1.00 0.00 C ATOM 165 C VAL A 14 12.952 3.003 -0.825 1.00 0.00 C ATOM 166 O VAL A 14 12.599 3.365 0.296 1.00 0.00 O ATOM 167 CB VAL A 14 12.489 5.142 -2.138 1.00 0.00 C ATOM 168 CG1 VAL A 14 13.884 5.561 -1.669 1.00 0.00 C ATOM 169 CG2 VAL A 14 12.202 5.667 -3.546 1.00 0.00 C ATOM 0 H VAL A 14 10.282 3.998 -1.792 1.00 0.00 H new ATOM 0 HA VAL A 14 12.851 3.216 -2.938 1.00 0.00 H new ATOM 0 HB VAL A 14 11.760 5.587 -1.461 1.00 0.00 H new ATOM 0 HG11 VAL A 14 13.976 6.646 -1.723 1.00 0.00 H new ATOM 0 HG12 VAL A 14 14.035 5.235 -0.640 1.00 0.00 H new ATOM 0 HG13 VAL A 14 14.637 5.101 -2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.326 6.750 -3.563 1.00 0.00 H new ATOM 0 HG22 VAL A 14 12.895 5.211 -4.253 1.00 0.00 H new ATOM 0 HG23 VAL A 14 11.179 5.415 -3.827 1.00 0.00 H new ATOM 179 N THR A 15 13.873 2.080 -1.059 1.00 0.00 N ATOM 180 CA THR A 15 14.554 1.407 0.034 1.00 0.00 C ATOM 181 C THR A 15 16.039 1.773 0.043 1.00 0.00 C ATOM 182 O THR A 15 16.505 2.514 -0.821 1.00 0.00 O ATOM 183 CB THR A 15 14.299 -0.095 -0.103 1.00 0.00 C ATOM 184 OG1 THR A 15 14.772 -0.410 -1.409 1.00 0.00 O ATOM 185 CG2 THR A 15 12.807 -0.433 -0.156 1.00 0.00 C ATOM 0 H THR A 15 14.164 1.782 -1.990 1.00 0.00 H new ATOM 0 HA THR A 15 14.166 1.730 1.000 1.00 0.00 H new ATOM 0 HB THR A 15 14.761 -0.619 0.734 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.646 -1.367 -1.581 1.00 0.00 H new ATOM 0 HG21 THR A 15 12.681 -1.511 -0.253 1.00 0.00 H new ATOM 0 HG22 THR A 15 12.324 -0.093 0.760 1.00 0.00 H new ATOM 0 HG23 THR A 15 12.352 0.064 -1.012 1.00 0.00 H new ATOM 193 N ALA A 16 16.742 1.236 1.030 1.00 0.00 N ATOM 194 CA ALA A 16 18.166 1.497 1.162 1.00 0.00 C ATOM 195 C ALA A 16 18.882 1.053 -0.114 1.00 0.00 C ATOM 196 O ALA A 16 19.579 1.845 -0.747 1.00 0.00 O ATOM 197 CB ALA A 16 18.700 0.787 2.408 1.00 0.00 C ATOM 0 H ALA A 16 16.353 0.622 1.745 1.00 0.00 H new ATOM 0 HA ALA A 16 18.351 2.564 1.289 1.00 0.00 H new ATOM 0 HB1 ALA A 16 19.768 0.982 2.508 1.00 0.00 H new ATOM 0 HB2 ALA A 16 18.179 1.159 3.290 1.00 0.00 H new ATOM 0 HB3 ALA A 16 18.534 -0.286 2.314 1.00 0.00 H new ATOM 203 N ASP A 17 18.687 -0.213 -0.455 1.00 0.00 N ATOM 204 CA ASP A 17 19.306 -0.772 -1.645 1.00 0.00 C ATOM 205 C ASP A 17 19.057 0.163 -2.831 1.00 0.00 C ATOM 206 O ASP A 17 19.979 0.474 -3.584 1.00 0.00 O ATOM 207 CB ASP A 17 18.708 -2.138 -1.987 1.00 0.00 C ATOM 208 CG ASP A 17 19.729 -3.217 -2.354 1.00 0.00 C ATOM 209 OD1 ASP A 17 20.424 -3.681 -1.424 1.00 0.00 O ATOM 210 OD2 ASP A 17 19.791 -3.553 -3.556 1.00 0.00 O ATOM 0 H ASP A 17 18.109 -0.867 0.072 1.00 0.00 H new ATOM 0 HA ASP A 17 20.372 -0.884 -1.450 1.00 0.00 H new ATOM 0 HB2 ASP A 17 18.124 -2.486 -1.135 1.00 0.00 H new ATOM 0 HB3 ASP A 17 18.015 -2.016 -2.820 1.00 0.00 H new ATOM 215 N GLY A 18 17.808 0.584 -2.959 1.00 0.00 N ATOM 216 CA GLY A 18 17.427 1.477 -4.040 1.00 0.00 C ATOM 217 C GLY A 18 15.904 1.569 -4.165 1.00 0.00 C ATOM 218 O GLY A 18 15.250 2.224 -3.355 1.00 0.00 O ATOM 0 H GLY A 18 17.047 0.323 -2.332 1.00 0.00 H new ATOM 0 HA2 GLY A 18 17.841 2.469 -3.860 1.00 0.00 H new ATOM 0 HA3 GLY A 18 17.852 1.120 -4.978 1.00 0.00 H new ATOM 222 N LYS A 19 15.385 0.902 -5.185 1.00 0.00 N ATOM 223 CA LYS A 19 13.952 0.900 -5.426 1.00 0.00 C ATOM 224 C LYS A 19 13.466 -0.543 -5.577 1.00 0.00 C ATOM 225 O LYS A 19 14.170 -1.383 -6.135 1.00 0.00 O ATOM 226 CB LYS A 19 13.608 1.793 -6.620 1.00 0.00 C ATOM 227 CG LYS A 19 12.653 2.916 -6.209 1.00 0.00 C ATOM 228 CD LYS A 19 11.926 3.491 -7.426 1.00 0.00 C ATOM 229 CE LYS A 19 12.844 4.417 -8.226 1.00 0.00 C ATOM 230 NZ LYS A 19 12.277 5.783 -8.287 1.00 0.00 N ATOM 0 H LYS A 19 15.931 0.359 -5.854 1.00 0.00 H new ATOM 0 HA LYS A 19 13.422 1.327 -4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 19 14.521 2.221 -7.034 1.00 0.00 H new ATOM 0 HB3 LYS A 19 13.152 1.193 -7.408 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.925 2.535 -5.493 1.00 0.00 H new ATOM 0 HG3 LYS A 19 13.211 3.707 -5.707 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.578 2.678 -8.064 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.043 4.041 -7.100 1.00 0.00 H new ATOM 0 HE2 LYS A 19 13.831 4.447 -7.765 1.00 0.00 H new ATOM 0 HE3 LYS A 19 12.975 4.026 -9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 12.913 6.399 -8.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.345 5.752 -8.747 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 12.175 6.160 -7.323 1.00 0.00 H new ATOM 244 N VAL A 20 12.267 -0.786 -5.070 1.00 0.00 N ATOM 245 CA VAL A 20 11.679 -2.112 -5.141 1.00 0.00 C ATOM 246 C VAL A 20 10.154 -1.989 -5.184 1.00 0.00 C ATOM 247 O VAL A 20 9.603 -0.943 -4.844 1.00 0.00 O ATOM 248 CB VAL A 20 12.176 -2.969 -3.975 1.00 0.00 C ATOM 249 CG1 VAL A 20 13.701 -3.093 -3.997 1.00 0.00 C ATOM 250 CG2 VAL A 20 11.691 -2.407 -2.636 1.00 0.00 C ATOM 0 H VAL A 20 11.686 -0.086 -4.608 1.00 0.00 H new ATOM 0 HA VAL A 20 11.990 -2.618 -6.055 1.00 0.00 H new ATOM 0 HB VAL A 20 11.757 -3.968 -4.091 1.00 0.00 H new ATOM 0 HG11 VAL A 20 14.028 -3.707 -3.158 1.00 0.00 H new ATOM 0 HG12 VAL A 20 14.015 -3.558 -4.931 1.00 0.00 H new ATOM 0 HG13 VAL A 20 14.148 -2.102 -3.917 1.00 0.00 H new ATOM 0 HG21 VAL A 20 12.058 -3.034 -1.824 1.00 0.00 H new ATOM 0 HG22 VAL A 20 12.068 -1.392 -2.509 1.00 0.00 H new ATOM 0 HG23 VAL A 20 10.601 -2.394 -2.620 1.00 0.00 H new ATOM 260 N ALA A 21 9.516 -3.071 -5.606 1.00 0.00 N ATOM 261 CA ALA A 21 8.066 -3.096 -5.698 1.00 0.00 C ATOM 262 C ALA A 21 7.473 -3.231 -4.294 1.00 0.00 C ATOM 263 O ALA A 21 8.135 -3.723 -3.381 1.00 0.00 O ATOM 264 CB ALA A 21 7.634 -4.233 -6.626 1.00 0.00 C ATOM 0 H ALA A 21 9.976 -3.936 -5.888 1.00 0.00 H new ATOM 0 HA ALA A 21 7.691 -2.166 -6.126 1.00 0.00 H new ATOM 0 HB1 ALA A 21 6.546 -4.253 -6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 21 8.058 -4.075 -7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 21 7.989 -5.183 -6.227 1.00 0.00 H new ATOM 270 N LEU A 22 6.232 -2.786 -4.166 1.00 0.00 N ATOM 271 CA LEU A 22 5.541 -2.852 -2.889 1.00 0.00 C ATOM 272 C LEU A 22 5.298 -4.317 -2.519 1.00 0.00 C ATOM 273 O LEU A 22 5.024 -4.631 -1.362 1.00 0.00 O ATOM 274 CB LEU A 22 4.266 -2.007 -2.925 1.00 0.00 C ATOM 275 CG LEU A 22 4.103 -0.989 -1.795 1.00 0.00 C ATOM 276 CD1 LEU A 22 2.717 -0.344 -1.833 1.00 0.00 C ATOM 277 CD2 LEU A 22 4.401 -1.626 -0.436 1.00 0.00 C ATOM 0 H LEU A 22 5.687 -2.378 -4.925 1.00 0.00 H new ATOM 0 HA LEU A 22 6.158 -2.422 -2.100 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.234 -1.473 -3.875 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.408 -2.679 -2.908 1.00 0.00 H new ATOM 0 HG LEU A 22 4.833 -0.193 -1.945 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.628 0.375 -1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 22 2.580 0.167 -2.786 1.00 0.00 H new ATOM 0 HD13 LEU A 22 1.954 -1.114 -1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.278 -0.881 0.350 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.712 -2.453 -0.263 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.425 -1.998 -0.426 1.00 0.00 H new ATOM 289 N ASN A 23 5.408 -5.173 -3.524 1.00 0.00 N ATOM 290 CA ASN A 23 5.204 -6.597 -3.320 1.00 0.00 C ATOM 291 C ASN A 23 6.559 -7.280 -3.130 1.00 0.00 C ATOM 292 O ASN A 23 6.722 -8.451 -3.472 1.00 0.00 O ATOM 293 CB ASN A 23 4.518 -7.234 -4.530 1.00 0.00 C ATOM 294 CG ASN A 23 5.460 -7.275 -5.735 1.00 0.00 C ATOM 295 OD1 ASN A 23 6.361 -8.093 -5.824 1.00 0.00 O ATOM 296 ND2 ASN A 23 5.201 -6.351 -6.655 1.00 0.00 N ATOM 0 H ASN A 23 5.636 -4.908 -4.482 1.00 0.00 H new ATOM 0 HA ASN A 23 4.574 -6.725 -2.440 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.197 -8.245 -4.280 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.621 -6.669 -4.784 1.00 0.00 H new ATOM 0 HD21 ASN A 23 5.772 -6.297 -7.498 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.431 -5.696 -6.518 1.00 0.00 H new ATOM 303 N GLN A 24 7.498 -6.520 -2.586 1.00 0.00 N ATOM 304 CA GLN A 24 8.835 -7.038 -2.347 1.00 0.00 C ATOM 305 C GLN A 24 9.219 -6.858 -0.877 1.00 0.00 C ATOM 306 O GLN A 24 9.568 -7.824 -0.200 1.00 0.00 O ATOM 307 CB GLN A 24 9.856 -6.365 -3.267 1.00 0.00 C ATOM 308 CG GLN A 24 9.366 -6.355 -4.716 1.00 0.00 C ATOM 309 CD GLN A 24 9.241 -7.779 -5.263 1.00 0.00 C ATOM 310 OE1 GLN A 24 9.559 -8.754 -4.603 1.00 0.00 O ATOM 311 NE2 GLN A 24 8.760 -7.842 -6.501 1.00 0.00 N ATOM 0 H GLN A 24 7.360 -5.550 -2.304 1.00 0.00 H new ATOM 0 HA GLN A 24 8.837 -8.104 -2.575 1.00 0.00 H new ATOM 0 HB2 GLN A 24 10.034 -5.343 -2.933 1.00 0.00 H new ATOM 0 HB3 GLN A 24 10.809 -6.891 -3.205 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.400 -5.854 -4.773 1.00 0.00 H new ATOM 0 HG3 GLN A 24 10.059 -5.784 -5.334 1.00 0.00 H new ATOM 0 HE21 GLN A 24 8.514 -6.985 -6.997 1.00 0.00 H new ATOM 0 HE22 GLN A 24 8.637 -8.747 -6.955 1.00 0.00 H new ATOM 320 N ILE A 25 9.141 -5.614 -0.426 1.00 0.00 N ATOM 321 CA ILE A 25 9.476 -5.295 0.951 1.00 0.00 C ATOM 322 C ILE A 25 8.405 -5.873 1.879 1.00 0.00 C ATOM 323 O ILE A 25 8.660 -6.104 3.059 1.00 0.00 O ATOM 324 CB ILE A 25 9.686 -3.789 1.117 1.00 0.00 C ATOM 325 CG1 ILE A 25 8.371 -3.029 0.933 1.00 0.00 C ATOM 326 CG2 ILE A 25 10.778 -3.281 0.173 1.00 0.00 C ATOM 327 CD1 ILE A 25 8.570 -1.528 1.152 1.00 0.00 C ATOM 0 H ILE A 25 8.851 -4.815 -0.990 1.00 0.00 H new ATOM 0 HA ILE A 25 10.423 -5.757 1.229 1.00 0.00 H new ATOM 0 HB ILE A 25 10.027 -3.601 2.135 1.00 0.00 H new ATOM 0 HG12 ILE A 25 7.982 -3.205 -0.070 1.00 0.00 H new ATOM 0 HG13 ILE A 25 7.627 -3.407 1.634 1.00 0.00 H new ATOM 0 HG21 ILE A 25 10.908 -2.208 0.311 1.00 0.00 H new ATOM 0 HG22 ILE A 25 11.716 -3.791 0.393 1.00 0.00 H new ATOM 0 HG23 ILE A 25 10.489 -3.482 -0.859 1.00 0.00 H new ATOM 0 HD11 ILE A 25 7.620 -1.011 1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 25 8.936 -1.353 2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.296 -1.149 0.433 1.00 0.00 H new ATOM 339 N GLY A 26 7.228 -6.089 1.309 1.00 0.00 N ATOM 340 CA GLY A 26 6.117 -6.635 2.070 1.00 0.00 C ATOM 341 C GLY A 26 5.257 -7.555 1.201 1.00 0.00 C ATOM 342 O GLY A 26 5.274 -7.451 -0.024 1.00 0.00 O ATOM 0 H GLY A 26 7.020 -5.896 0.329 1.00 0.00 H new ATOM 0 HA2 GLY A 26 6.497 -7.190 2.928 1.00 0.00 H new ATOM 0 HA3 GLY A 26 5.505 -5.822 2.461 1.00 0.00 H new ATOM 346 N GLN A 27 4.526 -8.434 1.870 1.00 0.00 N ATOM 347 CA GLN A 27 3.661 -9.372 1.175 1.00 0.00 C ATOM 348 C GLN A 27 2.247 -8.800 1.054 1.00 0.00 C ATOM 349 O GLN A 27 1.528 -8.697 2.047 1.00 0.00 O ATOM 350 CB GLN A 27 3.645 -10.730 1.880 1.00 0.00 C ATOM 351 CG GLN A 27 4.485 -11.754 1.115 1.00 0.00 C ATOM 352 CD GLN A 27 4.427 -13.126 1.791 1.00 0.00 C ATOM 353 OE1 GLN A 27 3.636 -13.371 2.687 1.00 0.00 O ATOM 354 NE2 GLN A 27 5.306 -14.002 1.313 1.00 0.00 N ATOM 0 H GLN A 27 4.515 -8.517 2.887 1.00 0.00 H new ATOM 0 HA GLN A 27 4.057 -9.526 0.171 1.00 0.00 H new ATOM 0 HB2 GLN A 27 4.031 -10.622 2.894 1.00 0.00 H new ATOM 0 HB3 GLN A 27 2.619 -11.087 1.966 1.00 0.00 H new ATOM 0 HG2 GLN A 27 4.123 -11.834 0.090 1.00 0.00 H new ATOM 0 HG3 GLN A 27 5.519 -11.414 1.062 1.00 0.00 H new ATOM 0 HE21 GLN A 27 5.940 -13.730 0.561 1.00 0.00 H new ATOM 0 HE22 GLN A 27 5.347 -14.946 1.698 1.00 0.00 H new ATOM 363 N ILE A 28 1.890 -8.443 -0.171 1.00 0.00 N ATOM 364 CA ILE A 28 0.575 -7.885 -0.434 1.00 0.00 C ATOM 365 C ILE A 28 -0.452 -9.018 -0.502 1.00 0.00 C ATOM 366 O ILE A 28 -0.310 -9.941 -1.303 1.00 0.00 O ATOM 367 CB ILE A 28 0.606 -7.008 -1.688 1.00 0.00 C ATOM 368 CG1 ILE A 28 1.385 -5.716 -1.433 1.00 0.00 C ATOM 369 CG2 ILE A 28 -0.809 -6.733 -2.200 1.00 0.00 C ATOM 370 CD1 ILE A 28 1.991 -5.176 -2.731 1.00 0.00 C ATOM 0 H ILE A 28 2.489 -8.529 -0.992 1.00 0.00 H new ATOM 0 HA ILE A 28 0.271 -7.227 0.380 1.00 0.00 H new ATOM 0 HB ILE A 28 1.132 -7.552 -2.473 1.00 0.00 H new ATOM 0 HG12 ILE A 28 0.723 -4.968 -0.998 1.00 0.00 H new ATOM 0 HG13 ILE A 28 2.177 -5.902 -0.707 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -0.758 -6.108 -3.091 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -1.297 -7.676 -2.446 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.382 -6.219 -1.428 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.539 -4.257 -2.522 1.00 0.00 H new ATOM 0 HD12 ILE A 28 2.671 -5.917 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.195 -4.969 -3.446 1.00 0.00 H new ATOM 382 N SER A 29 -1.461 -8.910 0.349 1.00 0.00 N ATOM 383 CA SER A 29 -2.511 -9.914 0.395 1.00 0.00 C ATOM 384 C SER A 29 -3.868 -9.242 0.612 1.00 0.00 C ATOM 385 O SER A 29 -4.197 -8.845 1.729 1.00 0.00 O ATOM 386 CB SER A 29 -2.244 -10.939 1.499 1.00 0.00 C ATOM 387 OG SER A 29 -2.545 -12.267 1.079 1.00 0.00 O ATOM 0 H SER A 29 -1.574 -8.143 1.012 1.00 0.00 H new ATOM 0 HA SER A 29 -2.522 -10.442 -0.559 1.00 0.00 H new ATOM 0 HB2 SER A 29 -1.198 -10.883 1.801 1.00 0.00 H new ATOM 0 HB3 SER A 29 -2.843 -10.692 2.376 1.00 0.00 H new ATOM 0 HG SER A 29 -2.360 -12.892 1.811 1.00 0.00 H new ATOM 393 N MET A 30 -4.620 -9.136 -0.473 1.00 0.00 N ATOM 394 CA MET A 30 -5.935 -8.520 -0.416 1.00 0.00 C ATOM 395 C MET A 30 -6.900 -9.363 0.419 1.00 0.00 C ATOM 396 O MET A 30 -7.399 -10.386 -0.047 1.00 0.00 O ATOM 397 CB MET A 30 -6.488 -8.364 -1.834 1.00 0.00 C ATOM 398 CG MET A 30 -6.672 -6.888 -2.192 1.00 0.00 C ATOM 399 SD MET A 30 -8.215 -6.657 -3.059 1.00 0.00 S ATOM 400 CE MET A 30 -8.659 -5.030 -2.474 1.00 0.00 C ATOM 0 H MET A 30 -4.344 -9.466 -1.398 1.00 0.00 H new ATOM 0 HA MET A 30 -5.837 -7.542 0.055 1.00 0.00 H new ATOM 0 HB2 MET A 30 -5.809 -8.833 -2.546 1.00 0.00 H new ATOM 0 HB3 MET A 30 -7.443 -8.883 -1.915 1.00 0.00 H new ATOM 0 HG2 MET A 30 -6.660 -6.282 -1.286 1.00 0.00 H new ATOM 0 HG3 MET A 30 -5.842 -6.550 -2.813 1.00 0.00 H new ATOM 0 HE1 MET A 30 -9.713 -4.844 -2.682 1.00 0.00 H new ATOM 0 HE2 MET A 30 -8.485 -4.969 -1.400 1.00 0.00 H new ATOM 0 HE3 MET A 30 -8.051 -4.282 -2.983 1.00 0.00 H new ATOM 410 N LYS A 31 -7.135 -8.902 1.639 1.00 0.00 N ATOM 411 CA LYS A 31 -8.032 -9.601 2.543 1.00 0.00 C ATOM 412 C LYS A 31 -9.470 -9.156 2.273 1.00 0.00 C ATOM 413 O LYS A 31 -10.273 -9.925 1.748 1.00 0.00 O ATOM 414 CB LYS A 31 -7.589 -9.404 3.995 1.00 0.00 C ATOM 415 CG LYS A 31 -8.582 -10.050 4.963 1.00 0.00 C ATOM 416 CD LYS A 31 -8.241 -11.522 5.199 1.00 0.00 C ATOM 417 CE LYS A 31 -7.227 -11.675 6.335 1.00 0.00 C ATOM 418 NZ LYS A 31 -6.328 -12.822 6.077 1.00 0.00 N ATOM 0 H LYS A 31 -6.720 -8.053 2.022 1.00 0.00 H new ATOM 0 HA LYS A 31 -7.992 -10.676 2.364 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -6.600 -9.838 4.139 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.504 -8.339 4.212 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -8.571 -9.514 5.912 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -9.592 -9.967 4.562 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -9.149 -12.075 5.440 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.836 -11.956 4.285 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.641 -10.761 6.433 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.750 -11.821 7.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -5.646 -12.911 6.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.890 -13.694 6.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -5.815 -12.667 5.186 1.00 0.00 H new ATOM 432 N SER A 32 -9.752 -7.916 2.645 1.00 0.00 N ATOM 433 CA SER A 32 -11.080 -7.359 2.450 1.00 0.00 C ATOM 434 C SER A 32 -11.290 -7.013 0.974 1.00 0.00 C ATOM 435 O SER A 32 -10.344 -7.027 0.189 1.00 0.00 O ATOM 436 CB SER A 32 -11.291 -6.119 3.321 1.00 0.00 C ATOM 437 OG SER A 32 -11.250 -4.917 2.557 1.00 0.00 O ATOM 0 H SER A 32 -9.083 -7.281 3.081 1.00 0.00 H new ATOM 0 HA SER A 32 -11.813 -8.108 2.749 1.00 0.00 H new ATOM 0 HB2 SER A 32 -12.252 -6.193 3.830 1.00 0.00 H new ATOM 0 HB3 SER A 32 -10.523 -6.084 4.094 1.00 0.00 H new ATOM 0 HG SER A 32 -12.099 -4.437 2.656 1.00 0.00 H new ATOM 443 N PRO A 33 -12.570 -6.704 0.633 1.00 0.00 N ATOM 444 CA PRO A 33 -12.916 -6.355 -0.734 1.00 0.00 C ATOM 445 C PRO A 33 -12.447 -4.940 -1.075 1.00 0.00 C ATOM 446 O PRO A 33 -12.650 -4.467 -2.192 1.00 0.00 O ATOM 447 CB PRO A 33 -14.426 -6.515 -0.810 1.00 0.00 C ATOM 448 CG PRO A 33 -14.920 -6.495 0.627 1.00 0.00 C ATOM 449 CD PRO A 33 -13.716 -6.678 1.537 1.00 0.00 C ATOM 0 HA PRO A 33 -12.423 -6.992 -1.468 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -14.876 -5.708 -1.389 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -14.695 -7.449 -1.303 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -15.423 -5.553 0.845 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -15.647 -7.290 0.792 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -13.635 -5.863 2.256 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -13.789 -7.602 2.110 1.00 0.00 H new ATOM 457 N GLN A 34 -11.828 -4.303 -0.091 1.00 0.00 N ATOM 458 CA GLN A 34 -11.328 -2.951 -0.273 1.00 0.00 C ATOM 459 C GLN A 34 -10.250 -2.640 0.767 1.00 0.00 C ATOM 460 O GLN A 34 -10.244 -1.560 1.356 1.00 0.00 O ATOM 461 CB GLN A 34 -12.467 -1.931 -0.204 1.00 0.00 C ATOM 462 CG GLN A 34 -12.902 -1.500 -1.606 1.00 0.00 C ATOM 463 CD GLN A 34 -14.423 -1.360 -1.689 1.00 0.00 C ATOM 464 OE1 GLN A 34 -15.092 -0.995 -0.737 1.00 0.00 O ATOM 465 NE2 GLN A 34 -14.931 -1.670 -2.879 1.00 0.00 N ATOM 0 H GLN A 34 -11.662 -4.698 0.834 1.00 0.00 H new ATOM 0 HA GLN A 34 -10.881 -2.880 -1.264 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -13.315 -2.363 0.327 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.145 -1.059 0.365 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -12.431 -0.550 -1.861 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -12.560 -2.232 -2.338 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -14.314 -1.969 -3.635 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -15.937 -1.609 -3.036 1.00 0.00 H new ATOM 474 N VAL A 35 -9.364 -3.605 0.961 1.00 0.00 N ATOM 475 CA VAL A 35 -8.284 -3.448 1.920 1.00 0.00 C ATOM 476 C VAL A 35 -7.059 -4.226 1.435 1.00 0.00 C ATOM 477 O VAL A 35 -7.127 -5.439 1.241 1.00 0.00 O ATOM 478 CB VAL A 35 -8.752 -3.877 3.312 1.00 0.00 C ATOM 479 CG1 VAL A 35 -7.576 -3.948 4.288 1.00 0.00 C ATOM 480 CG2 VAL A 35 -9.844 -2.943 3.835 1.00 0.00 C ATOM 0 H VAL A 35 -9.372 -4.499 0.470 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.994 -2.400 1.999 1.00 0.00 H new ATOM 0 HB VAL A 35 -9.179 -4.877 3.229 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -7.936 -4.255 5.270 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -6.846 -4.672 3.926 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.107 -2.967 4.364 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -10.159 -3.270 4.826 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -9.455 -1.926 3.895 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -10.697 -2.966 3.157 1.00 0.00 H new ATOM 490 N ILE A 36 -5.968 -3.497 1.251 1.00 0.00 N ATOM 491 CA ILE A 36 -4.731 -4.104 0.792 1.00 0.00 C ATOM 492 C ILE A 36 -3.791 -4.301 1.984 1.00 0.00 C ATOM 493 O ILE A 36 -3.241 -3.336 2.511 1.00 0.00 O ATOM 494 CB ILE A 36 -4.119 -3.281 -0.344 1.00 0.00 C ATOM 495 CG1 ILE A 36 -4.925 -3.444 -1.634 1.00 0.00 C ATOM 496 CG2 ILE A 36 -2.643 -3.632 -0.541 1.00 0.00 C ATOM 497 CD1 ILE A 36 -5.139 -2.093 -2.321 1.00 0.00 C ATOM 0 H ILE A 36 -5.915 -2.491 1.412 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.925 -5.091 0.371 1.00 0.00 H new ATOM 0 HB ILE A 36 -4.165 -2.228 -0.067 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -4.403 -4.121 -2.310 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -5.890 -3.899 -1.409 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -2.232 -3.033 -1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -2.094 -3.423 0.377 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -2.550 -4.690 -0.787 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -5.715 -2.237 -3.235 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -5.682 -1.426 -1.651 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -4.173 -1.652 -2.566 1.00 0.00 H new ATOM 509 N LEU A 37 -3.637 -5.558 2.373 1.00 0.00 N ATOM 510 CA LEU A 37 -2.774 -5.894 3.493 1.00 0.00 C ATOM 511 C LEU A 37 -1.357 -6.158 2.978 1.00 0.00 C ATOM 512 O LEU A 37 -1.177 -6.840 1.970 1.00 0.00 O ATOM 513 CB LEU A 37 -3.363 -7.056 4.294 1.00 0.00 C ATOM 514 CG LEU A 37 -4.439 -6.687 5.318 1.00 0.00 C ATOM 515 CD1 LEU A 37 -5.036 -7.940 5.962 1.00 0.00 C ATOM 516 CD2 LEU A 37 -3.892 -5.712 6.361 1.00 0.00 C ATOM 0 H LEU A 37 -4.095 -6.356 1.933 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.711 -5.058 4.189 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.787 -7.776 3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.550 -7.560 4.816 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.248 -6.178 4.794 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.798 -7.650 6.685 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.487 -8.565 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.249 -8.499 6.468 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.677 -5.466 7.076 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -3.054 -6.172 6.885 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -3.554 -4.801 5.866 1.00 0.00 H new ATOM 528 N VAL A 38 -0.389 -5.604 3.693 1.00 0.00 N ATOM 529 CA VAL A 38 1.005 -5.772 3.321 1.00 0.00 C ATOM 530 C VAL A 38 1.838 -6.024 4.579 1.00 0.00 C ATOM 531 O VAL A 38 2.060 -5.112 5.374 1.00 0.00 O ATOM 532 CB VAL A 38 1.483 -4.557 2.522 1.00 0.00 C ATOM 533 CG1 VAL A 38 2.909 -4.766 2.008 1.00 0.00 C ATOM 534 CG2 VAL A 38 0.525 -4.247 1.370 1.00 0.00 C ATOM 0 H VAL A 38 -0.543 -5.038 4.528 1.00 0.00 H new ATOM 0 HA VAL A 38 1.125 -6.640 2.672 1.00 0.00 H new ATOM 0 HB VAL A 38 1.491 -3.697 3.192 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.225 -3.888 1.444 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.582 -4.916 2.852 1.00 0.00 H new ATOM 0 HG13 VAL A 38 2.938 -5.643 1.361 1.00 0.00 H new ATOM 0 HG21 VAL A 38 0.888 -3.380 0.819 1.00 0.00 H new ATOM 0 HG22 VAL A 38 0.471 -5.106 0.701 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -0.467 -4.035 1.769 1.00 0.00 H new ATOM 544 N ASN A 39 2.276 -7.266 4.721 1.00 0.00 N ATOM 545 CA ASN A 39 3.079 -7.650 5.870 1.00 0.00 C ATOM 546 C ASN A 39 4.527 -7.213 5.643 1.00 0.00 C ATOM 547 O ASN A 39 5.118 -7.520 4.608 1.00 0.00 O ATOM 548 CB ASN A 39 3.069 -9.168 6.066 1.00 0.00 C ATOM 549 CG ASN A 39 3.554 -9.542 7.468 1.00 0.00 C ATOM 550 OD1 ASN A 39 4.179 -8.760 8.166 1.00 0.00 O ATOM 551 ND2 ASN A 39 3.234 -10.778 7.839 1.00 0.00 N ATOM 0 H ASN A 39 2.090 -8.020 4.059 1.00 0.00 H new ATOM 0 HA ASN A 39 2.657 -7.169 6.753 1.00 0.00 H new ATOM 0 HB2 ASN A 39 2.061 -9.552 5.912 1.00 0.00 H new ATOM 0 HB3 ASN A 39 3.707 -9.639 5.319 1.00 0.00 H new ATOM 0 HD21 ASN A 39 3.514 -11.123 8.757 1.00 0.00 H new ATOM 0 HD22 ASN A 39 2.709 -11.381 7.205 1.00 0.00 H new ATOM 558 N MET A 40 5.058 -6.502 6.627 1.00 0.00 N ATOM 559 CA MET A 40 6.426 -6.019 6.548 1.00 0.00 C ATOM 560 C MET A 40 7.288 -6.629 7.655 1.00 0.00 C ATOM 561 O MET A 40 8.168 -5.964 8.199 1.00 0.00 O ATOM 562 CB MET A 40 6.437 -4.494 6.674 1.00 0.00 C ATOM 563 CG MET A 40 5.543 -3.849 5.613 1.00 0.00 C ATOM 564 SD MET A 40 6.390 -3.812 4.042 1.00 0.00 S ATOM 565 CE MET A 40 7.726 -2.696 4.436 1.00 0.00 C ATOM 0 H MET A 40 4.565 -6.249 7.483 1.00 0.00 H new ATOM 0 HA MET A 40 6.841 -6.316 5.585 1.00 0.00 H new ATOM 0 HB2 MET A 40 6.094 -4.205 7.668 1.00 0.00 H new ATOM 0 HB3 MET A 40 7.457 -4.124 6.569 1.00 0.00 H new ATOM 0 HG2 MET A 40 4.612 -4.409 5.521 1.00 0.00 H new ATOM 0 HG3 MET A 40 5.277 -2.836 5.916 1.00 0.00 H new ATOM 0 HE1 MET A 40 7.587 -1.758 3.899 1.00 0.00 H new ATOM 0 HE2 MET A 40 7.734 -2.503 5.509 1.00 0.00 H new ATOM 0 HE3 MET A 40 8.674 -3.145 4.141 1.00 0.00 H new ATOM 575 N ALA A 41 7.005 -7.889 7.954 1.00 0.00 N ATOM 576 CA ALA A 41 7.744 -8.597 8.986 1.00 0.00 C ATOM 577 C ALA A 41 9.195 -8.777 8.536 1.00 0.00 C ATOM 578 O ALA A 41 10.092 -8.926 9.364 1.00 0.00 O ATOM 579 CB ALA A 41 7.055 -9.930 9.283 1.00 0.00 C ATOM 0 H ALA A 41 6.275 -8.437 7.500 1.00 0.00 H new ATOM 0 HA ALA A 41 7.756 -8.023 9.912 1.00 0.00 H new ATOM 0 HB1 ALA A 41 7.609 -10.461 10.057 1.00 0.00 H new ATOM 0 HB2 ALA A 41 6.037 -9.745 9.627 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.027 -10.535 8.377 1.00 0.00 H new ATOM 585 N SER A 42 9.381 -8.758 7.224 1.00 0.00 N ATOM 586 CA SER A 42 10.708 -8.918 6.654 1.00 0.00 C ATOM 587 C SER A 42 11.314 -7.547 6.347 1.00 0.00 C ATOM 588 O SER A 42 12.437 -7.457 5.853 1.00 0.00 O ATOM 589 CB SER A 42 10.663 -9.774 5.387 1.00 0.00 C ATOM 590 OG SER A 42 11.667 -10.785 5.390 1.00 0.00 O ATOM 0 H SER A 42 8.635 -8.634 6.540 1.00 0.00 H new ATOM 0 HA SER A 42 11.335 -9.430 7.384 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.681 -10.239 5.298 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.794 -9.136 4.513 1.00 0.00 H new ATOM 0 HG SER A 42 11.604 -11.311 4.565 1.00 0.00 H new ATOM 596 N PHE A 43 10.544 -6.513 6.652 1.00 0.00 N ATOM 597 CA PHE A 43 10.991 -5.151 6.415 1.00 0.00 C ATOM 598 C PHE A 43 10.256 -4.166 7.327 1.00 0.00 C ATOM 599 O PHE A 43 9.490 -3.329 6.853 1.00 0.00 O ATOM 600 CB PHE A 43 10.663 -4.820 4.958 1.00 0.00 C ATOM 601 CG PHE A 43 11.565 -5.524 3.942 1.00 0.00 C ATOM 602 CD1 PHE A 43 11.243 -6.767 3.493 1.00 0.00 C ATOM 603 CD2 PHE A 43 12.689 -4.908 3.488 1.00 0.00 C ATOM 604 CE1 PHE A 43 12.079 -7.421 2.551 1.00 0.00 C ATOM 605 CE2 PHE A 43 13.526 -5.562 2.546 1.00 0.00 C ATOM 606 CZ PHE A 43 13.204 -6.804 2.097 1.00 0.00 C ATOM 0 H PHE A 43 9.613 -6.591 7.061 1.00 0.00 H new ATOM 0 HA PHE A 43 12.058 -5.069 6.621 1.00 0.00 H new ATOM 0 HB2 PHE A 43 9.627 -5.092 4.759 1.00 0.00 H new ATOM 0 HB3 PHE A 43 10.743 -3.742 4.814 1.00 0.00 H new ATOM 0 HD1 PHE A 43 10.350 -7.257 3.854 1.00 0.00 H new ATOM 0 HD2 PHE A 43 12.945 -3.921 3.844 1.00 0.00 H new ATOM 0 HE1 PHE A 43 11.823 -8.408 2.195 1.00 0.00 H new ATOM 0 HE2 PHE A 43 14.419 -5.073 2.186 1.00 0.00 H new ATOM 0 HZ PHE A 43 13.841 -7.301 1.380 1.00 0.00 H new ATOM 616 N PRO A 44 10.522 -4.303 8.654 1.00 0.00 N ATOM 617 CA PRO A 44 9.894 -3.435 9.636 1.00 0.00 C ATOM 618 C PRO A 44 10.524 -2.041 9.618 1.00 0.00 C ATOM 619 O PRO A 44 9.978 -1.102 10.195 1.00 0.00 O ATOM 620 CB PRO A 44 10.074 -4.151 10.965 1.00 0.00 C ATOM 621 CG PRO A 44 11.193 -5.157 10.749 1.00 0.00 C ATOM 622 CD PRO A 44 11.423 -5.284 9.251 1.00 0.00 C ATOM 0 HA PRO A 44 8.837 -3.263 9.431 1.00 0.00 H new ATOM 0 HB2 PRO A 44 10.330 -3.447 11.757 1.00 0.00 H new ATOM 0 HB3 PRO A 44 9.153 -4.650 11.268 1.00 0.00 H new ATOM 0 HG2 PRO A 44 12.104 -4.828 11.249 1.00 0.00 H new ATOM 0 HG3 PRO A 44 10.926 -6.123 11.177 1.00 0.00 H new ATOM 0 HD2 PRO A 44 12.461 -5.078 8.991 1.00 0.00 H new ATOM 0 HD3 PRO A 44 11.200 -6.292 8.900 1.00 0.00 H new ATOM 630 N GLU A 45 11.665 -1.951 8.950 1.00 0.00 N ATOM 631 CA GLU A 45 12.375 -0.687 8.849 1.00 0.00 C ATOM 632 C GLU A 45 12.017 0.020 7.541 1.00 0.00 C ATOM 633 O GLU A 45 12.361 1.185 7.347 1.00 0.00 O ATOM 634 CB GLU A 45 13.886 -0.897 8.963 1.00 0.00 C ATOM 635 CG GLU A 45 14.428 -1.654 7.748 1.00 0.00 C ATOM 636 CD GLU A 45 15.837 -1.178 7.389 1.00 0.00 C ATOM 637 OE1 GLU A 45 15.931 -0.090 6.782 1.00 0.00 O ATOM 638 OE2 GLU A 45 16.788 -1.914 7.730 1.00 0.00 O ATOM 0 H GLU A 45 12.115 -2.733 8.474 1.00 0.00 H new ATOM 0 HA GLU A 45 12.066 -0.051 9.679 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.386 0.068 9.047 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.112 -1.453 9.873 1.00 0.00 H new ATOM 0 HG2 GLU A 45 14.444 -2.723 7.959 1.00 0.00 H new ATOM 0 HG3 GLU A 45 13.763 -1.507 6.897 1.00 0.00 H new ATOM 645 N CYS A 46 11.329 -0.713 6.678 1.00 0.00 N ATOM 646 CA CYS A 46 10.920 -0.170 5.394 1.00 0.00 C ATOM 647 C CYS A 46 9.394 -0.064 5.381 1.00 0.00 C ATOM 648 O CYS A 46 8.784 0.029 4.317 1.00 0.00 O ATOM 649 CB CYS A 46 11.444 -1.015 4.230 1.00 0.00 C ATOM 650 SG CYS A 46 12.908 -0.211 3.483 1.00 0.00 S ATOM 0 H CYS A 46 11.044 -1.679 6.843 1.00 0.00 H new ATOM 0 HA CYS A 46 11.353 0.822 5.261 1.00 0.00 H new ATOM 0 HB2 CYS A 46 11.707 -2.012 4.583 1.00 0.00 H new ATOM 0 HB3 CYS A 46 10.664 -1.138 3.479 1.00 0.00 H new ATOM 0 HG CYS A 46 13.346 -0.937 2.498 1.00 0.00 H new ATOM 656 N THR A 47 8.821 -0.083 6.575 1.00 0.00 N ATOM 657 CA THR A 47 7.378 0.009 6.715 1.00 0.00 C ATOM 658 C THR A 47 6.881 1.369 6.220 1.00 0.00 C ATOM 659 O THR A 47 6.122 1.443 5.255 1.00 0.00 O ATOM 660 CB THR A 47 7.026 -0.272 8.177 1.00 0.00 C ATOM 661 OG1 THR A 47 7.446 -1.617 8.383 1.00 0.00 O ATOM 662 CG2 THR A 47 5.515 -0.313 8.418 1.00 0.00 C ATOM 0 H THR A 47 9.330 -0.161 7.455 1.00 0.00 H new ATOM 0 HA THR A 47 6.872 -0.732 6.096 1.00 0.00 H new ATOM 0 HB THR A 47 7.475 0.492 8.811 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.116 -1.934 9.250 1.00 0.00 H new ATOM 0 HG21 THR A 47 5.320 -0.516 9.471 1.00 0.00 H new ATOM 0 HG22 THR A 47 5.077 0.647 8.146 1.00 0.00 H new ATOM 0 HG23 THR A 47 5.071 -1.100 7.809 1.00 0.00 H new ATOM 670 N ALA A 48 7.328 2.411 6.904 1.00 0.00 N ATOM 671 CA ALA A 48 6.938 3.765 6.547 1.00 0.00 C ATOM 672 C ALA A 48 7.190 3.986 5.054 1.00 0.00 C ATOM 673 O ALA A 48 6.320 4.483 4.341 1.00 0.00 O ATOM 674 CB ALA A 48 7.699 4.764 7.421 1.00 0.00 C ATOM 0 H ALA A 48 7.957 2.346 7.704 1.00 0.00 H new ATOM 0 HA ALA A 48 5.874 3.918 6.729 1.00 0.00 H new ATOM 0 HB1 ALA A 48 7.406 5.779 7.153 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.463 4.583 8.470 1.00 0.00 H new ATOM 0 HB3 ALA A 48 8.771 4.642 7.264 1.00 0.00 H new ATOM 680 N ALA A 49 8.385 3.606 4.625 1.00 0.00 N ATOM 681 CA ALA A 49 8.762 3.756 3.230 1.00 0.00 C ATOM 682 C ALA A 49 7.570 3.393 2.342 1.00 0.00 C ATOM 683 O ALA A 49 7.124 4.206 1.533 1.00 0.00 O ATOM 684 CB ALA A 49 9.992 2.894 2.938 1.00 0.00 C ATOM 0 H ALA A 49 9.105 3.194 5.219 1.00 0.00 H new ATOM 0 HA ALA A 49 9.030 4.790 3.014 1.00 0.00 H new ATOM 0 HB1 ALA A 49 10.275 3.006 1.891 1.00 0.00 H new ATOM 0 HB2 ALA A 49 10.818 3.212 3.574 1.00 0.00 H new ATOM 0 HB3 ALA A 49 9.760 1.848 3.141 1.00 0.00 H new ATOM 690 N ALA A 50 7.089 2.172 2.523 1.00 0.00 N ATOM 691 CA ALA A 50 5.958 1.692 1.748 1.00 0.00 C ATOM 692 C ALA A 50 4.830 2.724 1.805 1.00 0.00 C ATOM 693 O ALA A 50 4.469 3.312 0.787 1.00 0.00 O ATOM 694 CB ALA A 50 5.523 0.323 2.275 1.00 0.00 C ATOM 0 H ALA A 50 7.462 1.501 3.195 1.00 0.00 H new ATOM 0 HA ALA A 50 6.236 1.566 0.702 1.00 0.00 H new ATOM 0 HB1 ALA A 50 4.674 -0.038 1.694 1.00 0.00 H new ATOM 0 HB2 ALA A 50 6.350 -0.381 2.185 1.00 0.00 H new ATOM 0 HB3 ALA A 50 5.234 0.411 3.322 1.00 0.00 H new ATOM 700 N ILE A 51 4.305 2.914 3.007 1.00 0.00 N ATOM 701 CA ILE A 51 3.226 3.865 3.211 1.00 0.00 C ATOM 702 C ILE A 51 3.477 5.106 2.351 1.00 0.00 C ATOM 703 O ILE A 51 2.660 5.449 1.498 1.00 0.00 O ATOM 704 CB ILE A 51 3.058 4.173 4.700 1.00 0.00 C ATOM 705 CG1 ILE A 51 2.318 3.040 5.414 1.00 0.00 C ATOM 706 CG2 ILE A 51 2.371 5.525 4.906 1.00 0.00 C ATOM 707 CD1 ILE A 51 3.026 2.658 6.715 1.00 0.00 C ATOM 0 H ILE A 51 4.607 2.425 3.850 1.00 0.00 H new ATOM 0 HA ILE A 51 2.276 3.439 2.888 1.00 0.00 H new ATOM 0 HB ILE A 51 4.049 4.243 5.148 1.00 0.00 H new ATOM 0 HG12 ILE A 51 1.295 3.348 5.629 1.00 0.00 H new ATOM 0 HG13 ILE A 51 2.258 2.171 4.759 1.00 0.00 H new ATOM 0 HG21 ILE A 51 2.264 5.720 5.973 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.973 6.312 4.452 1.00 0.00 H new ATOM 0 HG23 ILE A 51 1.386 5.507 4.440 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.480 1.851 7.203 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.041 2.328 6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 51 3.063 3.523 7.377 1.00 0.00 H new ATOM 719 N LYS A 52 4.610 5.744 2.605 1.00 0.00 N ATOM 720 CA LYS A 52 4.978 6.939 1.864 1.00 0.00 C ATOM 721 C LYS A 52 4.717 6.710 0.374 1.00 0.00 C ATOM 722 O LYS A 52 3.886 7.390 -0.226 1.00 0.00 O ATOM 723 CB LYS A 52 6.419 7.343 2.182 1.00 0.00 C ATOM 724 CG LYS A 52 6.472 8.739 2.805 1.00 0.00 C ATOM 725 CD LYS A 52 7.546 8.814 3.892 1.00 0.00 C ATOM 726 CE LYS A 52 7.011 9.510 5.145 1.00 0.00 C ATOM 727 NZ LYS A 52 7.993 9.418 6.248 1.00 0.00 N ATOM 0 H LYS A 52 5.285 5.456 3.313 1.00 0.00 H new ATOM 0 HA LYS A 52 4.360 7.783 2.170 1.00 0.00 H new ATOM 0 HB2 LYS A 52 6.861 6.619 2.866 1.00 0.00 H new ATOM 0 HB3 LYS A 52 7.015 7.325 1.270 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.680 9.479 2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 52 5.500 8.988 3.231 1.00 0.00 H new ATOM 0 HD2 LYS A 52 7.882 7.809 4.146 1.00 0.00 H new ATOM 0 HD3 LYS A 52 8.414 9.355 3.514 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.800 10.556 4.925 1.00 0.00 H new ATOM 0 HE3 LYS A 52 6.070 9.052 5.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 7.614 9.895 7.091 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 8.175 8.418 6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 8.882 9.876 5.961 1.00 0.00 H new ATOM 741 N ALA A 53 5.444 5.752 -0.181 1.00 0.00 N ATOM 742 CA ALA A 53 5.302 5.426 -1.590 1.00 0.00 C ATOM 743 C ALA A 53 3.849 5.645 -2.016 1.00 0.00 C ATOM 744 O ALA A 53 3.572 6.464 -2.890 1.00 0.00 O ATOM 745 CB ALA A 53 5.770 3.989 -1.831 1.00 0.00 C ATOM 0 H ALA A 53 6.133 5.191 0.319 1.00 0.00 H new ATOM 0 HA ALA A 53 5.926 6.079 -2.200 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.664 3.744 -2.888 1.00 0.00 H new ATOM 0 HB2 ALA A 53 6.816 3.893 -1.540 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.164 3.305 -1.237 1.00 0.00 H new ATOM 751 N ILE A 54 2.960 4.899 -1.378 1.00 0.00 N ATOM 752 CA ILE A 54 1.542 5.001 -1.680 1.00 0.00 C ATOM 753 C ILE A 54 1.143 6.477 -1.736 1.00 0.00 C ATOM 754 O ILE A 54 0.536 6.923 -2.709 1.00 0.00 O ATOM 755 CB ILE A 54 0.721 4.180 -0.683 1.00 0.00 C ATOM 756 CG1 ILE A 54 0.838 2.683 -0.979 1.00 0.00 C ATOM 757 CG2 ILE A 54 -0.736 4.647 -0.657 1.00 0.00 C ATOM 758 CD1 ILE A 54 1.689 1.981 0.081 1.00 0.00 C ATOM 0 H ILE A 54 3.194 4.221 -0.653 1.00 0.00 H new ATOM 0 HA ILE A 54 1.329 4.574 -2.660 1.00 0.00 H new ATOM 0 HB ILE A 54 1.130 4.344 0.314 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.155 2.235 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.283 2.537 -1.963 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.298 4.047 0.059 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.777 5.696 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.173 4.531 -1.649 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.757 0.918 -0.152 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.689 2.415 0.091 1.00 0.00 H new ATOM 0 HD13 ILE A 54 1.228 2.109 1.061 1.00 0.00 H new ATOM 770 N ARG A 55 1.500 7.195 -0.682 1.00 0.00 N ATOM 771 CA ARG A 55 1.187 8.611 -0.599 1.00 0.00 C ATOM 772 C ARG A 55 1.802 9.361 -1.782 1.00 0.00 C ATOM 773 O ARG A 55 1.302 10.410 -2.185 1.00 0.00 O ATOM 774 CB ARG A 55 1.709 9.216 0.706 1.00 0.00 C ATOM 775 CG ARG A 55 1.506 8.252 1.876 1.00 0.00 C ATOM 776 CD ARG A 55 1.345 9.014 3.193 1.00 0.00 C ATOM 777 NE ARG A 55 2.392 8.595 4.152 1.00 0.00 N ATOM 778 CZ ARG A 55 2.572 9.152 5.358 1.00 0.00 C ATOM 779 NH1 ARG A 55 1.777 10.153 5.759 1.00 0.00 N ATOM 780 NH2 ARG A 55 3.548 8.707 6.161 1.00 0.00 N ATOM 0 H ARG A 55 2.004 6.822 0.123 1.00 0.00 H new ATOM 0 HA ARG A 55 0.102 8.712 -0.624 1.00 0.00 H new ATOM 0 HB2 ARG A 55 2.768 9.452 0.604 1.00 0.00 H new ATOM 0 HB3 ARG A 55 1.192 10.154 0.909 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.623 7.638 1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 55 2.357 7.574 1.945 1.00 0.00 H new ATOM 0 HD2 ARG A 55 1.414 10.087 3.013 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.358 8.824 3.614 1.00 0.00 H new ATOM 0 HE ARG A 55 3.015 7.835 3.878 1.00 0.00 H new ATOM 0 HH11 ARG A 55 1.035 10.491 5.147 1.00 0.00 H new ATOM 0 HH12 ARG A 55 1.914 10.577 6.677 1.00 0.00 H new ATOM 0 HH21 ARG A 55 4.153 7.945 5.854 1.00 0.00 H new ATOM 0 HH22 ARG A 55 3.686 9.130 7.079 1.00 0.00 H new ATOM 794 N GLU A 56 2.879 8.793 -2.306 1.00 0.00 N ATOM 795 CA GLU A 56 3.568 9.395 -3.435 1.00 0.00 C ATOM 796 C GLU A 56 2.955 8.910 -4.751 1.00 0.00 C ATOM 797 O GLU A 56 2.989 9.620 -5.754 1.00 0.00 O ATOM 798 CB GLU A 56 5.067 9.095 -3.385 1.00 0.00 C ATOM 799 CG GLU A 56 5.725 9.786 -2.189 1.00 0.00 C ATOM 800 CD GLU A 56 7.141 10.252 -2.535 1.00 0.00 C ATOM 801 OE1 GLU A 56 7.774 9.571 -3.371 1.00 0.00 O ATOM 802 OE2 GLU A 56 7.558 11.278 -1.957 1.00 0.00 O ATOM 0 H GLU A 56 3.291 7.923 -1.970 1.00 0.00 H new ATOM 0 HA GLU A 56 3.445 10.476 -3.376 1.00 0.00 H new ATOM 0 HB2 GLU A 56 5.224 8.018 -3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.540 9.430 -4.308 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.122 10.640 -1.881 1.00 0.00 H new ATOM 0 HG3 GLU A 56 5.761 9.100 -1.343 1.00 0.00 H new ATOM 809 N SER A 57 2.409 7.703 -4.703 1.00 0.00 N ATOM 810 CA SER A 57 1.790 7.115 -5.878 1.00 0.00 C ATOM 811 C SER A 57 1.052 8.192 -6.675 1.00 0.00 C ATOM 812 O SER A 57 1.099 8.201 -7.904 1.00 0.00 O ATOM 813 CB SER A 57 0.829 5.990 -5.489 1.00 0.00 C ATOM 814 OG SER A 57 0.154 5.449 -6.622 1.00 0.00 O ATOM 0 H SER A 57 2.383 7.117 -3.869 1.00 0.00 H new ATOM 0 HA SER A 57 2.576 6.686 -6.500 1.00 0.00 H new ATOM 0 HB2 SER A 57 1.383 5.198 -4.985 1.00 0.00 H new ATOM 0 HB3 SER A 57 0.096 6.369 -4.777 1.00 0.00 H new ATOM 0 HG SER A 57 0.678 4.708 -6.992 1.00 0.00 H new ATOM 820 N GLY A 58 0.387 9.073 -5.943 1.00 0.00 N ATOM 821 CA GLY A 58 -0.360 10.152 -6.566 1.00 0.00 C ATOM 822 C GLY A 58 -1.863 9.988 -6.327 1.00 0.00 C ATOM 823 O GLY A 58 -2.675 10.416 -7.146 1.00 0.00 O ATOM 0 H GLY A 58 0.350 9.062 -4.924 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.027 11.109 -6.165 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -0.158 10.168 -7.637 1.00 0.00 H new ATOM 827 N MET A 59 -2.186 9.369 -5.202 1.00 0.00 N ATOM 828 CA MET A 59 -3.576 9.143 -4.845 1.00 0.00 C ATOM 829 C MET A 59 -3.955 9.930 -3.588 1.00 0.00 C ATOM 830 O MET A 59 -5.123 10.253 -3.382 1.00 0.00 O ATOM 831 CB MET A 59 -3.805 7.650 -4.601 1.00 0.00 C ATOM 832 CG MET A 59 -2.871 6.803 -5.468 1.00 0.00 C ATOM 833 SD MET A 59 -3.610 5.209 -5.784 1.00 0.00 S ATOM 834 CE MET A 59 -2.169 4.166 -5.643 1.00 0.00 C ATOM 0 H MET A 59 -1.509 9.017 -4.525 1.00 0.00 H new ATOM 0 HA MET A 59 -4.203 9.486 -5.668 1.00 0.00 H new ATOM 0 HB2 MET A 59 -3.638 7.420 -3.549 1.00 0.00 H new ATOM 0 HB3 MET A 59 -4.842 7.397 -4.822 1.00 0.00 H new ATOM 0 HG2 MET A 59 -2.673 7.314 -6.410 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.912 6.675 -4.966 1.00 0.00 H new ATOM 0 HE1 MET A 59 -2.462 3.192 -5.251 1.00 0.00 H new ATOM 0 HE2 MET A 59 -1.714 4.040 -6.625 1.00 0.00 H new ATOM 0 HE3 MET A 59 -1.450 4.628 -4.967 1.00 0.00 H new ATOM 844 N ASN A 60 -2.943 10.215 -2.781 1.00 0.00 N ATOM 845 CA ASN A 60 -3.155 10.958 -1.551 1.00 0.00 C ATOM 846 C ASN A 60 -3.971 10.104 -0.578 1.00 0.00 C ATOM 847 O ASN A 60 -4.477 10.609 0.423 1.00 0.00 O ATOM 848 CB ASN A 60 -3.933 12.249 -1.813 1.00 0.00 C ATOM 849 CG ASN A 60 -3.033 13.475 -1.649 1.00 0.00 C ATOM 850 OD1 ASN A 60 -1.820 13.379 -1.558 1.00 0.00 O ATOM 851 ND2 ASN A 60 -3.692 14.630 -1.615 1.00 0.00 N ATOM 0 H ASN A 60 -1.975 9.945 -2.955 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.178 11.204 -1.134 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -4.347 12.230 -2.821 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -4.775 12.317 -1.124 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -3.181 15.506 -1.507 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.709 14.640 -1.697 1.00 0.00 H new ATOM 858 N LEU A 61 -4.074 8.825 -0.907 1.00 0.00 N ATOM 859 CA LEU A 61 -4.820 7.896 -0.076 1.00 0.00 C ATOM 860 C LEU A 61 -4.274 7.945 1.353 1.00 0.00 C ATOM 861 O LEU A 61 -3.247 8.573 1.607 1.00 0.00 O ATOM 862 CB LEU A 61 -4.806 6.495 -0.691 1.00 0.00 C ATOM 863 CG LEU A 61 -5.770 6.266 -1.858 1.00 0.00 C ATOM 864 CD1 LEU A 61 -6.977 5.436 -1.416 1.00 0.00 C ATOM 865 CD2 LEU A 61 -6.188 7.593 -2.493 1.00 0.00 C ATOM 0 H LEU A 61 -3.653 8.410 -1.738 1.00 0.00 H new ATOM 0 HA LEU A 61 -5.869 8.187 -0.028 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.794 6.280 -1.034 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.037 5.773 0.092 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.248 5.693 -2.625 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -7.646 5.288 -2.263 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -6.638 4.468 -1.048 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -7.508 5.961 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -6.873 7.401 -3.319 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -6.685 8.213 -1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.305 8.112 -2.866 1.00 0.00 H new ATOM 877 N ASN A 62 -4.985 7.275 2.247 1.00 0.00 N ATOM 878 CA ASN A 62 -4.584 7.234 3.643 1.00 0.00 C ATOM 879 C ASN A 62 -4.327 5.783 4.054 1.00 0.00 C ATOM 880 O ASN A 62 -5.221 5.112 4.567 1.00 0.00 O ATOM 881 CB ASN A 62 -5.683 7.794 4.549 1.00 0.00 C ATOM 882 CG ASN A 62 -5.088 8.421 5.811 1.00 0.00 C ATOM 883 OD1 ASN A 62 -4.335 9.379 5.763 1.00 0.00 O ATOM 884 ND2 ASN A 62 -5.466 7.828 6.939 1.00 0.00 N ATOM 0 H ASN A 62 -5.836 6.756 2.032 1.00 0.00 H new ATOM 0 HA ASN A 62 -3.683 7.838 3.752 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -6.261 8.541 4.006 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -6.373 6.996 4.826 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -5.123 8.172 7.836 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -6.100 7.029 6.908 1.00 0.00 H new ATOM 891 N PRO A 63 -3.069 5.329 3.805 1.00 0.00 N ATOM 892 CA PRO A 63 -2.683 3.970 4.143 1.00 0.00 C ATOM 893 C PRO A 63 -2.478 3.817 5.652 1.00 0.00 C ATOM 894 O PRO A 63 -1.937 4.711 6.302 1.00 0.00 O ATOM 895 CB PRO A 63 -1.418 3.709 3.342 1.00 0.00 C ATOM 896 CG PRO A 63 -0.885 5.077 2.948 1.00 0.00 C ATOM 897 CD PRO A 63 -1.985 6.096 3.198 1.00 0.00 C ATOM 0 HA PRO A 63 -3.453 3.240 3.894 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.686 3.161 3.935 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.631 3.104 2.461 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.003 5.323 3.531 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -0.590 5.084 1.899 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -1.644 6.892 3.860 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -2.306 6.569 2.270 1.00 0.00 H new ATOM 905 N GLU A 64 -2.920 2.679 6.165 1.00 0.00 N ATOM 906 CA GLU A 64 -2.791 2.397 7.584 1.00 0.00 C ATOM 907 C GLU A 64 -1.658 1.398 7.827 1.00 0.00 C ATOM 908 O GLU A 64 -1.309 0.622 6.939 1.00 0.00 O ATOM 909 CB GLU A 64 -4.110 1.882 8.163 1.00 0.00 C ATOM 910 CG GLU A 64 -5.183 2.972 8.138 1.00 0.00 C ATOM 911 CD GLU A 64 -5.762 3.203 9.536 1.00 0.00 C ATOM 912 OE1 GLU A 64 -5.128 3.968 10.293 1.00 0.00 O ATOM 913 OE2 GLU A 64 -6.827 2.610 9.814 1.00 0.00 O ATOM 0 H GLU A 64 -3.368 1.941 5.623 1.00 0.00 H new ATOM 0 HA GLU A 64 -2.545 3.326 8.098 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -4.450 1.019 7.591 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -3.954 1.544 9.187 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -4.755 3.900 7.760 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -5.981 2.686 7.453 1.00 0.00 H new ATOM 920 N VAL A 65 -1.115 1.450 9.034 1.00 0.00 N ATOM 921 CA VAL A 65 -0.029 0.559 9.405 1.00 0.00 C ATOM 922 C VAL A 65 -0.151 0.201 10.888 1.00 0.00 C ATOM 923 O VAL A 65 -0.271 1.085 11.735 1.00 0.00 O ATOM 924 CB VAL A 65 1.316 1.199 9.054 1.00 0.00 C ATOM 925 CG1 VAL A 65 1.474 2.556 9.742 1.00 0.00 C ATOM 926 CG2 VAL A 65 2.476 0.267 9.407 1.00 0.00 C ATOM 0 H VAL A 65 -1.407 2.095 9.768 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.089 -0.371 8.840 1.00 0.00 H new ATOM 0 HB VAL A 65 1.336 1.365 7.977 1.00 0.00 H new ATOM 0 HG11 VAL A 65 2.438 2.989 9.476 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.675 3.223 9.419 1.00 0.00 H new ATOM 0 HG13 VAL A 65 1.422 2.424 10.823 1.00 0.00 H new ATOM 0 HG21 VAL A 65 3.420 0.746 9.147 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.459 0.054 10.476 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.377 -0.665 8.850 1.00 0.00 H new ATOM 936 N GLU A 66 -0.118 -1.096 11.156 1.00 0.00 N ATOM 937 CA GLU A 66 -0.223 -1.581 12.521 1.00 0.00 C ATOM 938 C GLU A 66 0.929 -2.537 12.836 1.00 0.00 C ATOM 939 O GLU A 66 0.926 -3.685 12.396 1.00 0.00 O ATOM 940 CB GLU A 66 -1.576 -2.255 12.760 1.00 0.00 C ATOM 941 CG GLU A 66 -2.584 -1.268 13.350 1.00 0.00 C ATOM 942 CD GLU A 66 -2.168 -0.833 14.757 1.00 0.00 C ATOM 943 OE1 GLU A 66 -1.695 -1.715 15.506 1.00 0.00 O ATOM 944 OE2 GLU A 66 -2.331 0.371 15.050 1.00 0.00 O ATOM 0 H GLU A 66 -0.020 -1.826 10.450 1.00 0.00 H new ATOM 0 HA GLU A 66 -0.154 -0.727 13.195 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -1.959 -2.653 11.820 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -1.451 -3.100 13.437 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -2.663 -0.394 12.704 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -3.571 -1.729 13.385 1.00 0.00 H new ATOM 951 N GLY A 67 1.888 -2.027 13.595 1.00 0.00 N ATOM 952 CA GLY A 67 3.044 -2.821 13.973 1.00 0.00 C ATOM 953 C GLY A 67 3.967 -3.052 12.775 1.00 0.00 C ATOM 954 O GLY A 67 4.921 -2.304 12.568 1.00 0.00 O ATOM 0 H GLY A 67 1.888 -1.074 13.958 1.00 0.00 H new ATOM 0 HA2 GLY A 67 3.593 -2.315 14.767 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.716 -3.780 14.374 1.00 0.00 H new ATOM 958 N THR A 68 3.650 -4.091 12.016 1.00 0.00 N ATOM 959 CA THR A 68 4.438 -4.430 10.844 1.00 0.00 C ATOM 960 C THR A 68 3.524 -4.712 9.650 1.00 0.00 C ATOM 961 O THR A 68 3.988 -5.150 8.598 1.00 0.00 O ATOM 962 CB THR A 68 5.343 -5.609 11.207 1.00 0.00 C ATOM 963 OG1 THR A 68 4.595 -6.334 12.179 1.00 0.00 O ATOM 964 CG2 THR A 68 6.602 -5.170 11.958 1.00 0.00 C ATOM 0 H THR A 68 2.858 -4.709 12.190 1.00 0.00 H new ATOM 0 HA THR A 68 5.071 -3.597 10.539 1.00 0.00 H new ATOM 0 HB THR A 68 5.628 -6.141 10.299 1.00 0.00 H new ATOM 0 HG1 THR A 68 5.108 -7.117 12.469 1.00 0.00 H new ATOM 0 HG21 THR A 68 7.210 -6.044 12.192 1.00 0.00 H new ATOM 0 HG22 THR A 68 7.177 -4.485 11.335 1.00 0.00 H new ATOM 0 HG23 THR A 68 6.318 -4.668 12.883 1.00 0.00 H new ATOM 972 N LEU A 69 2.241 -4.449 9.852 1.00 0.00 N ATOM 973 CA LEU A 69 1.258 -4.669 8.805 1.00 0.00 C ATOM 974 C LEU A 69 0.794 -3.318 8.256 1.00 0.00 C ATOM 975 O LEU A 69 0.835 -2.311 8.960 1.00 0.00 O ATOM 976 CB LEU A 69 0.116 -5.549 9.319 1.00 0.00 C ATOM 977 CG LEU A 69 0.167 -7.022 8.906 1.00 0.00 C ATOM 978 CD1 LEU A 69 -0.062 -7.178 7.402 1.00 0.00 C ATOM 979 CD2 LEU A 69 1.477 -7.672 9.357 1.00 0.00 C ATOM 0 H LEU A 69 1.860 -4.086 10.725 1.00 0.00 H new ATOM 0 HA LEU A 69 1.702 -5.216 7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 69 0.106 -5.497 10.408 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -0.827 -5.127 8.971 1.00 0.00 H new ATOM 0 HG LEU A 69 -0.644 -7.547 9.411 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -0.021 -8.234 7.135 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -1.040 -6.775 7.139 1.00 0.00 H new ATOM 0 HD13 LEU A 69 0.712 -6.636 6.858 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.488 -8.718 9.051 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.318 -7.151 8.899 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.559 -7.610 10.442 1.00 0.00 H new ATOM 991 N ILE A 70 0.363 -3.342 7.003 1.00 0.00 N ATOM 992 CA ILE A 70 -0.109 -2.132 6.351 1.00 0.00 C ATOM 993 C ILE A 70 -1.488 -2.390 5.741 1.00 0.00 C ATOM 994 O ILE A 70 -1.649 -3.296 4.925 1.00 0.00 O ATOM 995 CB ILE A 70 0.926 -1.629 5.342 1.00 0.00 C ATOM 996 CG1 ILE A 70 2.337 -1.683 5.930 1.00 0.00 C ATOM 997 CG2 ILE A 70 0.567 -0.229 4.840 1.00 0.00 C ATOM 998 CD1 ILE A 70 3.372 -1.188 4.918 1.00 0.00 C ATOM 0 H ILE A 70 0.331 -4.180 6.422 1.00 0.00 H new ATOM 0 HA ILE A 70 -0.228 -1.329 7.078 1.00 0.00 H new ATOM 0 HB ILE A 70 0.912 -2.294 4.478 1.00 0.00 H new ATOM 0 HG12 ILE A 70 2.383 -1.072 6.831 1.00 0.00 H new ATOM 0 HG13 ILE A 70 2.573 -2.705 6.226 1.00 0.00 H new ATOM 0 HG21 ILE A 70 1.318 0.105 4.124 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -0.409 -0.255 4.355 1.00 0.00 H new ATOM 0 HG23 ILE A 70 0.535 0.462 5.682 1.00 0.00 H new ATOM 0 HD11 ILE A 70 4.367 -1.237 5.361 1.00 0.00 H new ATOM 0 HD12 ILE A 70 3.340 -1.817 4.028 1.00 0.00 H new ATOM 0 HD13 ILE A 70 3.148 -0.158 4.643 1.00 0.00 H new ATOM 1010 N ARG A 71 -2.447 -1.578 6.161 1.00 0.00 N ATOM 1011 CA ARG A 71 -3.807 -1.708 5.667 1.00 0.00 C ATOM 1012 C ARG A 71 -4.154 -0.530 4.754 1.00 0.00 C ATOM 1013 O ARG A 71 -4.150 0.620 5.191 1.00 0.00 O ATOM 1014 CB ARG A 71 -4.810 -1.764 6.821 1.00 0.00 C ATOM 1015 CG ARG A 71 -5.479 -3.137 6.899 1.00 0.00 C ATOM 1016 CD ARG A 71 -6.871 -3.033 7.526 1.00 0.00 C ATOM 1017 NE ARG A 71 -6.973 -3.944 8.688 1.00 0.00 N ATOM 1018 CZ ARG A 71 -7.987 -3.936 9.563 1.00 0.00 C ATOM 1019 NH1 ARG A 71 -8.993 -3.064 9.414 1.00 0.00 N ATOM 1020 NH2 ARG A 71 -7.995 -4.799 10.588 1.00 0.00 N ATOM 0 H ARG A 71 -2.309 -0.828 6.838 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.868 -2.639 5.104 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -4.301 -1.550 7.761 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.569 -0.993 6.686 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -5.557 -3.565 5.900 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.860 -3.814 7.488 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.061 -2.007 7.840 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -7.631 -3.286 6.787 1.00 0.00 H new ATOM 0 HE ARG A 71 -6.224 -4.621 8.832 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -8.987 -2.406 8.634 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.765 -3.058 10.080 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -7.229 -5.462 10.702 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.767 -4.793 11.254 1.00 0.00 H new ATOM 1034 N VAL A 72 -4.447 -0.857 3.504 1.00 0.00 N ATOM 1035 CA VAL A 72 -4.797 0.160 2.527 1.00 0.00 C ATOM 1036 C VAL A 72 -6.257 -0.023 2.107 1.00 0.00 C ATOM 1037 O VAL A 72 -6.569 -0.893 1.296 1.00 0.00 O ATOM 1038 CB VAL A 72 -3.824 0.107 1.347 1.00 0.00 C ATOM 1039 CG1 VAL A 72 -4.530 0.468 0.038 1.00 0.00 C ATOM 1040 CG2 VAL A 72 -2.619 1.018 1.589 1.00 0.00 C ATOM 0 H VAL A 72 -4.449 -1.812 3.145 1.00 0.00 H new ATOM 0 HA VAL A 72 -4.707 1.155 2.962 1.00 0.00 H new ATOM 0 HB VAL A 72 -3.458 -0.916 1.260 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -3.816 0.423 -0.785 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.340 -0.238 -0.145 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.937 1.477 0.110 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -1.943 0.962 0.736 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.959 2.046 1.715 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.095 0.696 2.489 1.00 0.00 H new ATOM 1050 N PRO A 73 -7.135 0.835 2.693 1.00 0.00 N ATOM 1051 CA PRO A 73 -8.554 0.776 2.388 1.00 0.00 C ATOM 1052 C PRO A 73 -8.843 1.370 1.008 1.00 0.00 C ATOM 1053 O PRO A 73 -8.573 2.545 0.764 1.00 0.00 O ATOM 1054 CB PRO A 73 -9.230 1.539 3.516 1.00 0.00 C ATOM 1055 CG PRO A 73 -8.144 2.388 4.155 1.00 0.00 C ATOM 1056 CD PRO A 73 -6.801 1.878 3.658 1.00 0.00 C ATOM 0 HA PRO A 73 -8.931 -0.245 2.333 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -10.040 2.162 3.136 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -9.669 0.855 4.242 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -8.275 3.437 3.891 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -8.199 2.323 5.242 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -6.221 2.676 3.194 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -6.200 1.482 4.477 1.00 0.00 H new ATOM 1064 N ILE A 74 -9.388 0.530 0.140 1.00 0.00 N ATOM 1065 CA ILE A 74 -9.717 0.956 -1.209 1.00 0.00 C ATOM 1066 C ILE A 74 -10.962 1.843 -1.170 1.00 0.00 C ATOM 1067 O ILE A 74 -11.898 1.574 -0.418 1.00 0.00 O ATOM 1068 CB ILE A 74 -9.852 -0.254 -2.136 1.00 0.00 C ATOM 1069 CG1 ILE A 74 -8.502 -0.944 -2.339 1.00 0.00 C ATOM 1070 CG2 ILE A 74 -10.499 0.142 -3.464 1.00 0.00 C ATOM 1071 CD1 ILE A 74 -7.678 -0.230 -3.413 1.00 0.00 C ATOM 0 H ILE A 74 -9.610 -0.444 0.345 1.00 0.00 H new ATOM 0 HA ILE A 74 -8.909 1.558 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 74 -10.514 -0.977 -1.659 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -7.950 -0.955 -1.399 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -8.660 -1.983 -2.628 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -10.583 -0.736 -4.104 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -11.492 0.551 -3.277 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -9.884 0.894 -3.959 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -6.723 -0.740 -3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -8.222 -0.242 -4.357 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -7.501 0.802 -3.110 1.00 0.00 H new ATOM 1083 N PRO A 75 -10.934 2.911 -2.012 1.00 0.00 N ATOM 1084 CA PRO A 75 -12.050 3.840 -2.080 1.00 0.00 C ATOM 1085 C PRO A 75 -13.227 3.228 -2.842 1.00 0.00 C ATOM 1086 O PRO A 75 -13.288 2.013 -3.024 1.00 0.00 O ATOM 1087 CB PRO A 75 -11.488 5.081 -2.754 1.00 0.00 C ATOM 1088 CG PRO A 75 -10.214 4.635 -3.454 1.00 0.00 C ATOM 1089 CD PRO A 75 -9.843 3.262 -2.917 1.00 0.00 C ATOM 0 HA PRO A 75 -12.454 4.084 -1.098 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -12.201 5.495 -3.467 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -11.279 5.862 -2.023 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -10.365 4.595 -4.533 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -9.409 5.347 -3.271 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -9.747 2.534 -3.723 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -8.887 3.286 -2.394 1.00 0.00 H new ATOM 1097 N LYS A 76 -14.133 4.097 -3.265 1.00 0.00 N ATOM 1098 CA LYS A 76 -15.305 3.657 -4.003 1.00 0.00 C ATOM 1099 C LYS A 76 -14.860 2.847 -5.222 1.00 0.00 C ATOM 1100 O LYS A 76 -13.669 2.603 -5.410 1.00 0.00 O ATOM 1101 CB LYS A 76 -16.199 4.849 -4.349 1.00 0.00 C ATOM 1102 CG LYS A 76 -17.344 4.985 -3.344 1.00 0.00 C ATOM 1103 CD LYS A 76 -17.462 6.424 -2.838 1.00 0.00 C ATOM 1104 CE LYS A 76 -17.124 6.511 -1.349 1.00 0.00 C ATOM 1105 NZ LYS A 76 -16.247 7.673 -1.082 1.00 0.00 N ATOM 0 H LYS A 76 -14.079 5.104 -3.111 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.917 2.997 -3.388 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.606 5.763 -4.356 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -16.604 4.725 -5.353 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -18.281 4.682 -3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -17.176 4.313 -2.503 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -16.791 7.069 -3.405 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -18.474 6.791 -3.007 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -18.041 6.599 -0.767 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -16.630 5.594 -1.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -16.028 7.716 -0.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -15.364 7.573 -1.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -16.732 8.547 -1.369 1.00 0.00 H new ATOM 1119 N VAL A 77 -15.841 2.452 -6.021 1.00 0.00 N ATOM 1120 CA VAL A 77 -15.566 1.675 -7.217 1.00 0.00 C ATOM 1121 C VAL A 77 -15.625 2.592 -8.441 1.00 0.00 C ATOM 1122 O VAL A 77 -15.681 2.117 -9.574 1.00 0.00 O ATOM 1123 CB VAL A 77 -16.534 0.493 -7.308 1.00 0.00 C ATOM 1124 CG1 VAL A 77 -16.167 -0.595 -6.296 1.00 0.00 C ATOM 1125 CG2 VAL A 77 -17.980 0.954 -7.118 1.00 0.00 C ATOM 0 H VAL A 77 -16.828 2.656 -5.863 1.00 0.00 H new ATOM 0 HA VAL A 77 -14.562 1.253 -7.175 1.00 0.00 H new ATOM 0 HB VAL A 77 -16.448 0.064 -8.306 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -16.870 -1.423 -6.381 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -15.158 -0.954 -6.497 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -16.211 -0.184 -5.288 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -18.648 0.095 -7.187 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -18.088 1.419 -6.138 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -18.236 1.676 -7.893 1.00 0.00 H new ATOM 1135 N THR A 78 -15.610 3.888 -8.170 1.00 0.00 N ATOM 1136 CA THR A 78 -15.662 4.876 -9.234 1.00 0.00 C ATOM 1137 C THR A 78 -14.660 6.001 -8.967 1.00 0.00 C ATOM 1138 O THR A 78 -14.995 7.178 -9.095 1.00 0.00 O ATOM 1139 CB THR A 78 -17.106 5.364 -9.357 1.00 0.00 C ATOM 1140 OG1 THR A 78 -17.036 6.419 -10.312 1.00 0.00 O ATOM 1141 CG2 THR A 78 -17.603 6.049 -8.082 1.00 0.00 C ATOM 0 H THR A 78 -15.563 4.277 -7.228 1.00 0.00 H new ATOM 0 HA THR A 78 -15.369 4.443 -10.190 1.00 0.00 H new ATOM 0 HB THR A 78 -17.755 4.521 -9.593 1.00 0.00 H new ATOM 0 HG1 THR A 78 -16.512 7.160 -9.943 1.00 0.00 H new ATOM 0 HG21 THR A 78 -18.633 6.376 -8.223 1.00 0.00 H new ATOM 0 HG22 THR A 78 -17.556 5.347 -7.250 1.00 0.00 H new ATOM 0 HG23 THR A 78 -16.974 6.912 -7.864 1.00 0.00 H new ATOM 1149 N SER A 79 -13.452 5.600 -8.599 1.00 0.00 N ATOM 1150 CA SER A 79 -12.400 6.560 -8.312 1.00 0.00 C ATOM 1151 C SER A 79 -11.039 5.974 -8.693 1.00 0.00 C ATOM 1152 O SER A 79 -10.914 4.768 -8.899 1.00 0.00 O ATOM 1153 CB SER A 79 -12.410 6.964 -6.837 1.00 0.00 C ATOM 1154 OG SER A 79 -12.501 8.376 -6.670 1.00 0.00 O ATOM 0 H SER A 79 -13.178 4.623 -8.493 1.00 0.00 H new ATOM 0 HA SER A 79 -12.582 7.455 -8.907 1.00 0.00 H new ATOM 0 HB2 SER A 79 -13.251 6.485 -6.336 1.00 0.00 H new ATOM 0 HB3 SER A 79 -11.502 6.600 -6.355 1.00 0.00 H new ATOM 0 HG SER A 79 -12.506 8.593 -5.714 1.00 0.00 H new ATOM 1160 N GLY A 80 -10.053 6.856 -8.774 1.00 0.00 N ATOM 1161 CA GLY A 80 -8.706 6.441 -9.126 1.00 0.00 C ATOM 1162 C GLY A 80 -8.694 5.690 -10.459 1.00 0.00 C ATOM 1163 O GLY A 80 -9.741 5.489 -11.072 1.00 0.00 O ATOM 0 H GLY A 80 -10.160 7.856 -8.602 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.058 7.315 -9.191 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -8.302 5.802 -8.341 1.00 0.00 H new ATOM 1167 N PRO A 81 -7.466 5.285 -10.880 1.00 0.00 N ATOM 1168 CA PRO A 81 -7.304 4.561 -12.129 1.00 0.00 C ATOM 1169 C PRO A 81 -7.771 3.111 -11.987 1.00 0.00 C ATOM 1170 O PRO A 81 -6.955 2.203 -11.835 1.00 0.00 O ATOM 1171 CB PRO A 81 -5.825 4.678 -12.463 1.00 0.00 C ATOM 1172 CG PRO A 81 -5.134 5.060 -11.164 1.00 0.00 C ATOM 1173 CD PRO A 81 -6.203 5.505 -10.180 1.00 0.00 C ATOM 0 HA PRO A 81 -7.914 4.970 -12.934 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -5.436 3.736 -12.850 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -5.657 5.432 -13.232 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -4.577 4.213 -10.765 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -4.416 5.862 -11.335 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -6.156 4.928 -9.257 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -6.079 6.553 -9.907 1.00 0.00 H new ATOM 1181 N SER A 82 -9.084 2.938 -12.041 1.00 0.00 N ATOM 1182 CA SER A 82 -9.670 1.614 -11.920 1.00 0.00 C ATOM 1183 C SER A 82 -9.928 1.027 -13.309 1.00 0.00 C ATOM 1184 O SER A 82 -9.959 1.757 -14.299 1.00 0.00 O ATOM 1185 CB SER A 82 -10.969 1.658 -11.113 1.00 0.00 C ATOM 1186 OG SER A 82 -11.907 2.580 -11.662 1.00 0.00 O ATOM 0 H SER A 82 -9.758 3.693 -12.167 1.00 0.00 H new ATOM 0 HA SER A 82 -8.965 0.976 -11.388 1.00 0.00 H new ATOM 0 HB2 SER A 82 -11.413 0.663 -11.085 1.00 0.00 H new ATOM 0 HB3 SER A 82 -10.747 1.937 -10.083 1.00 0.00 H new ATOM 0 HG SER A 82 -12.723 2.578 -11.120 1.00 0.00 H new ATOM 1192 N SER A 83 -10.106 -0.285 -13.339 1.00 0.00 N ATOM 1193 CA SER A 83 -10.361 -0.978 -14.590 1.00 0.00 C ATOM 1194 C SER A 83 -9.387 -0.491 -15.665 1.00 0.00 C ATOM 1195 O SER A 83 -9.702 0.425 -16.423 1.00 0.00 O ATOM 1196 CB SER A 83 -11.806 -0.773 -15.050 1.00 0.00 C ATOM 1197 OG SER A 83 -12.129 0.608 -15.194 1.00 0.00 O ATOM 0 H SER A 83 -10.079 -0.887 -12.516 1.00 0.00 H new ATOM 0 HA SER A 83 -10.209 -2.045 -14.427 1.00 0.00 H new ATOM 0 HB2 SER A 83 -11.960 -1.282 -16.001 1.00 0.00 H new ATOM 0 HB3 SER A 83 -12.484 -1.231 -14.330 1.00 0.00 H new ATOM 0 HG SER A 83 -11.304 1.130 -15.276 1.00 0.00 H new ATOM 1203 N GLY A 84 -8.225 -1.126 -15.698 1.00 0.00 N ATOM 1204 CA GLY A 84 -7.204 -0.769 -16.667 1.00 0.00 C ATOM 1205 C GLY A 84 -6.746 0.678 -16.474 1.00 0.00 C ATOM 1206 O GLY A 84 -5.560 0.936 -16.275 1.00 0.00 O ATOM 0 H GLY A 84 -7.968 -1.886 -15.068 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -6.351 -1.440 -16.566 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -7.594 -0.899 -17.676 1.00 0.00 H new TER 1210 GLY A 84