USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 666 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 Single : A 1 MET CE :methyl 150:sc= -3.03! (180deg=-3.6!) USER MOD Single : A 1 MET N :NH3+ 150:sc= 1.12 (180deg=0.299) USER MOD Single : A 3 SER OG : rot 180:sc= 0.022 USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HE2:sc= -3.34 K(o=-3.3,f=-4.5) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 ASN : amide:sc= -0.792 K(o=-0.79,f=-2.9!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.672 X(o=-0.67,f=-0.34) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 ASN : amide:sc= -1.6! C(o=-1.6!,f=-4.5!) USER MOD Single : A 28 HIS : no HD1:sc= -0.337 X(o=-0.34,f=-0.16) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -173:sc= -1.21! USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot 4:sc= -4.04! USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= -12.2! C(o=-12!,f=-21!) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0.0939 USER MOD Single : A 58 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 SER OG : rot 18:sc= -1.98! USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -147:sc= -0.516 (180deg=-1.93!) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 ASN : amide:sc= -0.186 X(o=-0.19,f=-0.2) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -9.542 7.638 -3.752 1.00 0.00 N ATOM 2 CA MET A 1 -8.234 7.567 -3.050 1.00 0.00 C ATOM 3 C MET A 1 -7.655 8.960 -2.830 1.00 0.00 C ATOM 4 O MET A 1 -7.686 9.803 -3.727 1.00 0.00 O ATOM 5 CB MET A 1 -7.267 6.725 -3.887 1.00 0.00 C ATOM 6 CG MET A 1 -7.732 5.293 -4.111 1.00 0.00 C ATOM 7 SD MET A 1 -9.075 5.163 -5.310 1.00 0.00 S ATOM 8 CE MET A 1 -8.458 6.189 -6.643 1.00 0.00 C ATOM 0 H1 MET A 1 -9.676 6.780 -4.325 1.00 0.00 H new ATOM 0 H2 MET A 1 -10.308 7.710 -3.052 1.00 0.00 H new ATOM 0 H3 MET A 1 -9.559 8.474 -4.371 1.00 0.00 H new ATOM 0 HA MET A 1 -8.381 7.107 -2.073 1.00 0.00 H new ATOM 0 HB2 MET A 1 -7.125 7.206 -4.855 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.295 6.708 -3.394 1.00 0.00 H new ATOM 0 HG2 MET A 1 -6.889 4.693 -4.453 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.059 4.871 -3.161 1.00 0.00 H new ATOM 0 HE1 MET A 1 -8.842 5.820 -7.594 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.787 7.217 -6.493 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.369 6.155 -6.654 1.00 0.00 H new ATOM 20 N ASP A 2 -7.125 9.194 -1.636 1.00 0.00 N ATOM 21 CA ASP A 2 -6.532 10.483 -1.304 1.00 0.00 C ATOM 22 C ASP A 2 -5.019 10.436 -1.464 1.00 0.00 C ATOM 23 O ASP A 2 -4.314 9.838 -0.653 1.00 0.00 O ATOM 24 CB ASP A 2 -6.898 10.886 0.126 1.00 0.00 C ATOM 25 CG ASP A 2 -8.062 11.857 0.173 1.00 0.00 C ATOM 26 OD1 ASP A 2 -9.135 11.524 -0.374 1.00 0.00 O ATOM 27 OD2 ASP A 2 -7.900 12.950 0.755 1.00 0.00 O ATOM 0 H ASP A 2 -7.094 8.508 -0.882 1.00 0.00 H new ATOM 0 HA ASP A 2 -6.930 11.229 -1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -7.150 9.994 0.699 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -6.031 11.339 0.606 1.00 0.00 H new ATOM 32 N SER A 3 -4.526 11.063 -2.522 1.00 0.00 N ATOM 33 CA SER A 3 -3.096 11.087 -2.795 1.00 0.00 C ATOM 34 C SER A 3 -2.316 11.558 -1.574 1.00 0.00 C ATOM 35 O SER A 3 -1.139 11.238 -1.416 1.00 0.00 O ATOM 36 CB SER A 3 -2.804 12.000 -3.980 1.00 0.00 C ATOM 37 OG SER A 3 -3.748 11.808 -5.019 1.00 0.00 O ATOM 0 H SER A 3 -5.095 11.562 -3.206 1.00 0.00 H new ATOM 0 HA SER A 3 -2.779 10.072 -3.036 1.00 0.00 H new ATOM 0 HB2 SER A 3 -2.824 13.040 -3.655 1.00 0.00 H new ATOM 0 HB3 SER A 3 -1.800 11.803 -4.356 1.00 0.00 H new ATOM 0 HG SER A 3 -3.539 12.407 -5.766 1.00 0.00 H new ATOM 43 N LYS A 4 -2.977 12.326 -0.717 1.00 0.00 N ATOM 44 CA LYS A 4 -2.339 12.862 0.479 1.00 0.00 C ATOM 45 C LYS A 4 -1.844 11.750 1.399 1.00 0.00 C ATOM 46 O LYS A 4 -0.700 11.771 1.846 1.00 0.00 O ATOM 47 CB LYS A 4 -3.318 13.762 1.233 1.00 0.00 C ATOM 48 CG LYS A 4 -3.366 15.187 0.708 1.00 0.00 C ATOM 49 CD LYS A 4 -2.095 15.948 1.047 1.00 0.00 C ATOM 50 CE LYS A 4 -1.968 16.172 2.543 1.00 0.00 C ATOM 51 NZ LYS A 4 -2.207 17.594 2.915 1.00 0.00 N ATOM 0 H LYS A 4 -3.955 12.592 -0.828 1.00 0.00 H new ATOM 0 HA LYS A 4 -1.474 13.445 0.163 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -4.316 13.328 1.173 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.042 13.782 2.287 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -3.506 15.173 -0.373 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -4.226 15.704 1.134 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -1.229 15.393 0.686 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -2.096 16.909 0.532 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -2.681 15.535 3.067 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -0.972 15.873 2.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.111 17.704 3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -1.511 18.200 2.435 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -3.166 17.872 2.625 1.00 0.00 H new ATOM 65 N GLU A 5 -2.706 10.776 1.680 1.00 0.00 N ATOM 66 CA GLU A 5 -2.350 9.673 2.568 1.00 0.00 C ATOM 67 C GLU A 5 -1.438 8.680 1.870 1.00 0.00 C ATOM 68 O GLU A 5 -0.389 8.305 2.393 1.00 0.00 O ATOM 69 CB GLU A 5 -3.615 8.977 3.078 1.00 0.00 C ATOM 70 CG GLU A 5 -4.328 8.105 2.067 1.00 0.00 C ATOM 71 CD GLU A 5 -5.686 7.654 2.564 1.00 0.00 C ATOM 72 OE1 GLU A 5 -5.741 6.665 3.325 1.00 0.00 O ATOM 73 OE2 GLU A 5 -6.695 8.288 2.191 1.00 0.00 O ATOM 0 H GLU A 5 -3.654 10.728 1.306 1.00 0.00 H new ATOM 0 HA GLU A 5 -1.806 10.082 3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -3.350 8.363 3.939 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.311 9.738 3.431 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.448 8.656 1.134 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -3.715 7.232 1.845 1.00 0.00 H new ATOM 80 N VAL A 6 -1.827 8.286 0.673 1.00 0.00 N ATOM 81 CA VAL A 6 -1.041 7.335 -0.107 1.00 0.00 C ATOM 82 C VAL A 6 0.413 7.784 -0.226 1.00 0.00 C ATOM 83 O VAL A 6 1.325 7.003 0.025 1.00 0.00 O ATOM 84 CB VAL A 6 -1.632 7.127 -1.514 1.00 0.00 C ATOM 85 CG1 VAL A 6 -0.760 6.180 -2.340 1.00 0.00 C ATOM 86 CG2 VAL A 6 -3.056 6.608 -1.400 1.00 0.00 C ATOM 0 H VAL A 6 -2.681 8.606 0.215 1.00 0.00 H new ATOM 0 HA VAL A 6 -1.077 6.386 0.428 1.00 0.00 H new ATOM 0 HB VAL A 6 -1.652 8.085 -2.034 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -1.200 6.050 -3.329 1.00 0.00 H new ATOM 0 HG12 VAL A 6 0.240 6.601 -2.440 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -0.699 5.213 -1.840 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -3.471 6.462 -2.397 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -3.055 5.659 -0.865 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -3.664 7.331 -0.856 1.00 0.00 H new ATOM 96 N LEU A 7 0.636 9.036 -0.611 1.00 0.00 N ATOM 97 CA LEU A 7 2.001 9.536 -0.738 1.00 0.00 C ATOM 98 C LEU A 7 2.677 9.581 0.627 1.00 0.00 C ATOM 99 O LEU A 7 3.829 9.179 0.769 1.00 0.00 O ATOM 100 CB LEU A 7 2.035 10.913 -1.405 1.00 0.00 C ATOM 101 CG LEU A 7 2.859 10.981 -2.698 1.00 0.00 C ATOM 102 CD1 LEU A 7 4.346 11.043 -2.382 1.00 0.00 C ATOM 103 CD2 LEU A 7 2.555 9.787 -3.594 1.00 0.00 C ATOM 0 H LEU A 7 -0.094 9.712 -0.837 1.00 0.00 H new ATOM 0 HA LEU A 7 2.552 8.848 -1.379 1.00 0.00 H new ATOM 0 HB2 LEU A 7 1.013 11.220 -1.626 1.00 0.00 H new ATOM 0 HB3 LEU A 7 2.438 11.635 -0.695 1.00 0.00 H new ATOM 0 HG LEU A 7 2.581 11.890 -3.231 1.00 0.00 H new ATOM 0 HD11 LEU A 7 4.914 11.091 -3.311 1.00 0.00 H new ATOM 0 HD12 LEU A 7 4.554 11.930 -1.784 1.00 0.00 H new ATOM 0 HD13 LEU A 7 4.637 10.153 -1.824 1.00 0.00 H new ATOM 0 HD21 LEU A 7 3.150 9.855 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 7 2.802 8.865 -3.068 1.00 0.00 H new ATOM 0 HD23 LEU A 7 1.496 9.786 -3.851 1.00 0.00 H new ATOM 115 N VAL A 8 1.946 10.030 1.645 1.00 0.00 N ATOM 116 CA VAL A 8 2.475 10.021 3.004 1.00 0.00 C ATOM 117 C VAL A 8 2.860 8.595 3.366 1.00 0.00 C ATOM 118 O VAL A 8 3.942 8.332 3.903 1.00 0.00 O ATOM 119 CB VAL A 8 1.446 10.557 4.022 1.00 0.00 C ATOM 120 CG1 VAL A 8 1.940 10.375 5.451 1.00 0.00 C ATOM 121 CG2 VAL A 8 1.142 12.018 3.743 1.00 0.00 C ATOM 0 H VAL A 8 0.999 10.399 1.556 1.00 0.00 H new ATOM 0 HA VAL A 8 3.345 10.676 3.042 1.00 0.00 H new ATOM 0 HB VAL A 8 0.527 9.981 3.912 1.00 0.00 H new ATOM 0 HG11 VAL A 8 1.194 10.762 6.146 1.00 0.00 H new ATOM 0 HG12 VAL A 8 2.104 9.315 5.647 1.00 0.00 H new ATOM 0 HG13 VAL A 8 2.876 10.917 5.584 1.00 0.00 H new ATOM 0 HG21 VAL A 8 0.415 12.383 4.468 1.00 0.00 H new ATOM 0 HG22 VAL A 8 2.059 12.602 3.823 1.00 0.00 H new ATOM 0 HG23 VAL A 8 0.734 12.119 2.737 1.00 0.00 H new ATOM 131 N HIS A 9 1.977 7.668 3.012 1.00 0.00 N ATOM 132 CA HIS A 9 2.235 6.255 3.221 1.00 0.00 C ATOM 133 C HIS A 9 3.544 5.881 2.544 1.00 0.00 C ATOM 134 O HIS A 9 4.305 5.057 3.051 1.00 0.00 O ATOM 135 CB HIS A 9 1.080 5.413 2.677 1.00 0.00 C ATOM 136 CG HIS A 9 -0.208 5.643 3.405 1.00 0.00 C ATOM 137 ND1 HIS A 9 -0.266 5.970 4.744 1.00 0.00 N ATOM 138 CD2 HIS A 9 -1.489 5.617 2.971 1.00 0.00 C ATOM 139 CE1 HIS A 9 -1.527 6.124 5.104 1.00 0.00 C ATOM 140 NE2 HIS A 9 -2.289 5.917 4.045 1.00 0.00 N ATOM 0 H HIS A 9 1.077 7.874 2.579 1.00 0.00 H new ATOM 0 HA HIS A 9 2.316 6.055 4.289 1.00 0.00 H new ATOM 0 HB2 HIS A 9 0.939 5.640 1.620 1.00 0.00 H new ATOM 0 HB3 HIS A 9 1.345 4.358 2.744 1.00 0.00 H new ATOM 0 HD1 HIS A 9 0.540 6.076 5.360 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -1.820 5.400 1.966 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -1.876 6.376 6.095 1.00 0.00 H new ATOM 149 N VAL A 10 3.818 6.523 1.407 1.00 0.00 N ATOM 150 CA VAL A 10 5.074 6.307 0.708 1.00 0.00 C ATOM 151 C VAL A 10 6.225 6.832 1.548 1.00 0.00 C ATOM 152 O VAL A 10 7.334 6.323 1.474 1.00 0.00 O ATOM 153 CB VAL A 10 5.122 6.968 -0.683 1.00 0.00 C ATOM 154 CG1 VAL A 10 6.425 6.605 -1.383 1.00 0.00 C ATOM 155 CG2 VAL A 10 3.923 6.552 -1.516 1.00 0.00 C ATOM 0 H VAL A 10 3.190 7.190 0.958 1.00 0.00 H new ATOM 0 HA VAL A 10 5.161 5.231 0.555 1.00 0.00 H new ATOM 0 HB VAL A 10 5.082 8.050 -0.562 1.00 0.00 H new ATOM 0 HG11 VAL A 10 6.453 7.075 -2.366 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.268 6.957 -0.788 1.00 0.00 H new ATOM 0 HG13 VAL A 10 6.488 5.523 -1.497 1.00 0.00 H new ATOM 0 HG21 VAL A 10 3.976 7.030 -2.494 1.00 0.00 H new ATOM 0 HG22 VAL A 10 3.924 5.469 -1.640 1.00 0.00 H new ATOM 0 HG23 VAL A 10 3.006 6.858 -1.012 1.00 0.00 H new ATOM 165 N LYS A 11 5.966 7.884 2.321 1.00 0.00 N ATOM 166 CA LYS A 11 6.978 8.434 3.215 1.00 0.00 C ATOM 167 C LYS A 11 7.521 7.323 4.104 1.00 0.00 C ATOM 168 O LYS A 11 8.732 7.135 4.234 1.00 0.00 O ATOM 169 CB LYS A 11 6.378 9.543 4.078 1.00 0.00 C ATOM 170 CG LYS A 11 7.412 10.511 4.632 1.00 0.00 C ATOM 171 CD LYS A 11 6.763 11.598 5.473 1.00 0.00 C ATOM 172 CE LYS A 11 7.635 12.840 5.548 1.00 0.00 C ATOM 173 NZ LYS A 11 8.011 13.170 6.950 1.00 0.00 N ATOM 0 H LYS A 11 5.069 8.369 2.346 1.00 0.00 H new ATOM 0 HA LYS A 11 7.788 8.857 2.621 1.00 0.00 H new ATOM 0 HB2 LYS A 11 5.652 10.100 3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.834 9.092 4.908 1.00 0.00 H new ATOM 0 HG2 LYS A 11 8.136 9.965 5.237 1.00 0.00 H new ATOM 0 HG3 LYS A 11 7.963 10.966 3.809 1.00 0.00 H new ATOM 0 HD2 LYS A 11 5.794 11.858 5.048 1.00 0.00 H new ATOM 0 HD3 LYS A 11 6.579 11.220 6.479 1.00 0.00 H new ATOM 0 HE2 LYS A 11 8.538 12.686 4.957 1.00 0.00 H new ATOM 0 HE3 LYS A 11 7.104 13.683 5.106 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 8.606 14.023 6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 7.151 13.342 7.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 8.540 12.376 7.364 1.00 0.00 H new ATOM 187 N ASN A 12 6.601 6.553 4.668 1.00 0.00 N ATOM 188 CA ASN A 12 6.955 5.407 5.480 1.00 0.00 C ATOM 189 C ASN A 12 7.613 4.348 4.609 1.00 0.00 C ATOM 190 O ASN A 12 8.684 3.830 4.925 1.00 0.00 O ATOM 191 CB ASN A 12 5.700 4.835 6.134 1.00 0.00 C ATOM 192 CG ASN A 12 4.763 5.916 6.639 1.00 0.00 C ATOM 193 OD1 ASN A 12 5.152 7.076 6.777 1.00 0.00 O ATOM 194 ND2 ASN A 12 3.519 5.540 6.916 1.00 0.00 N ATOM 0 H ASN A 12 5.597 6.707 4.574 1.00 0.00 H new ATOM 0 HA ASN A 12 7.654 5.716 6.257 1.00 0.00 H new ATOM 0 HB2 ASN A 12 5.173 4.209 5.414 1.00 0.00 H new ATOM 0 HB3 ASN A 12 5.989 4.192 6.965 1.00 0.00 H new ATOM 0 HD21 ASN A 12 2.844 6.224 7.258 1.00 0.00 H new ATOM 0 HD22 ASN A 12 3.239 4.568 6.787 1.00 0.00 H new ATOM 201 N LEU A 13 6.965 4.065 3.487 1.00 0.00 N ATOM 202 CA LEU A 13 7.476 3.125 2.503 1.00 0.00 C ATOM 203 C LEU A 13 8.919 3.484 2.146 1.00 0.00 C ATOM 204 O LEU A 13 9.777 2.613 2.019 1.00 0.00 O ATOM 205 CB LEU A 13 6.567 3.195 1.263 1.00 0.00 C ATOM 206 CG LEU A 13 6.708 2.080 0.220 1.00 0.00 C ATOM 207 CD1 LEU A 13 6.176 2.540 -1.127 1.00 0.00 C ATOM 208 CD2 LEU A 13 8.138 1.659 0.072 1.00 0.00 C ATOM 0 H LEU A 13 6.069 4.482 3.235 1.00 0.00 H new ATOM 0 HA LEU A 13 7.474 2.110 2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.532 3.208 1.605 1.00 0.00 H new ATOM 0 HB3 LEU A 13 6.750 4.147 0.765 1.00 0.00 H new ATOM 0 HG LEU A 13 6.124 1.227 0.567 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.284 1.736 -1.855 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.123 2.804 -1.031 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.739 3.411 -1.462 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.209 0.867 -0.674 1.00 0.00 H new ATOM 0 HD22 LEU A 13 8.737 2.512 -0.246 1.00 0.00 H new ATOM 0 HD23 LEU A 13 8.510 1.291 1.028 1.00 0.00 H new ATOM 220 N GLU A 14 9.165 4.780 2.010 1.00 0.00 N ATOM 221 CA GLU A 14 10.479 5.311 1.669 1.00 0.00 C ATOM 222 C GLU A 14 11.542 4.834 2.644 1.00 0.00 C ATOM 223 O GLU A 14 12.526 4.211 2.250 1.00 0.00 O ATOM 224 CB GLU A 14 10.418 6.838 1.671 1.00 0.00 C ATOM 225 CG GLU A 14 10.330 7.440 0.279 1.00 0.00 C ATOM 226 CD GLU A 14 10.553 8.940 0.276 1.00 0.00 C ATOM 227 OE1 GLU A 14 11.083 9.464 1.279 1.00 0.00 O ATOM 228 OE2 GLU A 14 10.197 9.591 -0.729 1.00 0.00 O ATOM 0 H GLU A 14 8.452 5.499 2.134 1.00 0.00 H new ATOM 0 HA GLU A 14 10.752 4.948 0.678 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.554 7.159 2.253 1.00 0.00 H new ATOM 0 HB3 GLU A 14 11.303 7.229 2.173 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.070 6.965 -0.365 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.350 7.221 -0.146 1.00 0.00 H new ATOM 235 N LYS A 15 11.353 5.144 3.913 1.00 0.00 N ATOM 236 CA LYS A 15 12.309 4.743 4.932 1.00 0.00 C ATOM 237 C LYS A 15 12.564 3.239 4.874 1.00 0.00 C ATOM 238 O LYS A 15 13.674 2.773 5.128 1.00 0.00 O ATOM 239 CB LYS A 15 11.793 5.140 6.314 1.00 0.00 C ATOM 240 CG LYS A 15 12.423 6.413 6.855 1.00 0.00 C ATOM 241 CD LYS A 15 11.688 6.920 8.085 1.00 0.00 C ATOM 242 CE LYS A 15 11.604 5.855 9.165 1.00 0.00 C ATOM 243 NZ LYS A 15 10.846 6.328 10.356 1.00 0.00 N ATOM 0 H LYS A 15 10.552 5.669 4.263 1.00 0.00 H new ATOM 0 HA LYS A 15 13.253 5.255 4.743 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.712 5.272 6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.984 4.325 7.012 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.467 6.225 7.106 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.414 7.181 6.082 1.00 0.00 H new ATOM 0 HD2 LYS A 15 12.199 7.799 8.479 1.00 0.00 H new ATOM 0 HD3 LYS A 15 10.683 7.235 7.805 1.00 0.00 H new ATOM 0 HE2 LYS A 15 11.124 4.964 8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 15 12.610 5.565 9.467 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 10.812 5.572 11.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.318 7.163 10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.878 6.581 10.073 1.00 0.00 H new ATOM 257 N ASN A 16 11.520 2.488 4.541 1.00 0.00 N ATOM 258 CA ASN A 16 11.604 1.032 4.458 1.00 0.00 C ATOM 259 C ASN A 16 12.092 0.558 3.086 1.00 0.00 C ATOM 260 O ASN A 16 12.491 -0.595 2.928 1.00 0.00 O ATOM 261 CB ASN A 16 10.228 0.422 4.745 1.00 0.00 C ATOM 262 CG ASN A 16 9.829 0.549 6.202 1.00 0.00 C ATOM 263 OD1 ASN A 16 9.701 1.655 6.728 1.00 0.00 O ATOM 264 ND2 ASN A 16 9.629 -0.586 6.862 1.00 0.00 N ATOM 0 H ASN A 16 10.598 2.866 4.322 1.00 0.00 H new ATOM 0 HA ASN A 16 12.330 0.702 5.201 1.00 0.00 H new ATOM 0 HB2 ASN A 16 9.480 0.913 4.123 1.00 0.00 H new ATOM 0 HB3 ASN A 16 10.235 -0.631 4.464 1.00 0.00 H new ATOM 0 HD21 ASN A 16 9.358 -0.563 7.845 1.00 0.00 H new ATOM 0 HD22 ASN A 16 9.747 -1.480 6.386 1.00 0.00 H new ATOM 271 N LYS A 17 11.992 1.432 2.091 1.00 0.00 N ATOM 272 CA LYS A 17 12.300 1.086 0.706 1.00 0.00 C ATOM 273 C LYS A 17 13.604 0.331 0.516 1.00 0.00 C ATOM 274 O LYS A 17 14.596 0.903 0.061 1.00 0.00 O ATOM 275 CB LYS A 17 12.348 2.334 -0.171 1.00 0.00 C ATOM 276 CG LYS A 17 10.996 2.767 -0.700 1.00 0.00 C ATOM 277 CD LYS A 17 11.104 3.682 -1.915 1.00 0.00 C ATOM 278 CE LYS A 17 12.172 4.752 -1.739 1.00 0.00 C ATOM 279 NZ LYS A 17 12.006 5.865 -2.713 1.00 0.00 N ATOM 0 H LYS A 17 11.696 2.399 2.220 1.00 0.00 H new ATOM 0 HA LYS A 17 11.489 0.420 0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 17 12.781 3.153 0.403 1.00 0.00 H new ATOM 0 HB3 LYS A 17 13.014 2.148 -1.014 1.00 0.00 H new ATOM 0 HG2 LYS A 17 10.415 1.884 -0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 17 10.449 3.282 0.090 1.00 0.00 H new ATOM 0 HD2 LYS A 17 11.333 3.085 -2.798 1.00 0.00 H new ATOM 0 HD3 LYS A 17 10.141 4.159 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.126 5.147 -0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 17 13.158 4.305 -1.863 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 12.752 6.573 -2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.075 5.492 -3.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.075 6.308 -2.578 1.00 0.00 H new ATOM 293 N SER A 18 13.552 -0.978 0.680 1.00 0.00 N ATOM 294 CA SER A 18 14.663 -1.819 0.288 1.00 0.00 C ATOM 295 C SER A 18 14.711 -1.803 -1.238 1.00 0.00 C ATOM 296 O SER A 18 15.777 -1.747 -1.851 1.00 0.00 O ATOM 297 CB SER A 18 14.483 -3.249 0.802 1.00 0.00 C ATOM 298 OG SER A 18 15.693 -3.756 1.336 1.00 0.00 O ATOM 0 H SER A 18 12.757 -1.477 1.079 1.00 0.00 H new ATOM 0 HA SER A 18 15.593 -1.445 0.716 1.00 0.00 H new ATOM 0 HB2 SER A 18 13.708 -3.268 1.568 1.00 0.00 H new ATOM 0 HB3 SER A 18 14.144 -3.891 -0.011 1.00 0.00 H new ATOM 0 HG SER A 18 15.550 -4.670 1.659 1.00 0.00 H new ATOM 304 N ASN A 19 13.511 -1.754 -1.823 1.00 0.00 N ATOM 305 CA ASN A 19 13.322 -1.612 -3.260 1.00 0.00 C ATOM 306 C ASN A 19 12.871 -0.191 -3.549 1.00 0.00 C ATOM 307 O ASN A 19 11.822 0.223 -3.080 1.00 0.00 O ATOM 308 CB ASN A 19 12.244 -2.583 -3.738 1.00 0.00 C ATOM 309 CG ASN A 19 12.712 -3.449 -4.890 1.00 0.00 C ATOM 310 OD1 ASN A 19 12.273 -3.282 -6.027 1.00 0.00 O ATOM 311 ND2 ASN A 19 13.611 -4.381 -4.597 1.00 0.00 N ATOM 0 H ASN A 19 12.636 -1.813 -1.301 1.00 0.00 H new ATOM 0 HA ASN A 19 14.256 -1.829 -3.778 1.00 0.00 H new ATOM 0 HB2 ASN A 19 11.941 -3.221 -2.908 1.00 0.00 H new ATOM 0 HB3 ASN A 19 11.363 -2.020 -4.046 1.00 0.00 H new ATOM 0 HD21 ASN A 19 13.966 -4.995 -5.330 1.00 0.00 H new ATOM 0 HD22 ASN A 19 13.946 -4.483 -3.639 1.00 0.00 H new ATOM 318 N ASP A 20 13.688 0.598 -4.216 1.00 0.00 N ATOM 319 CA ASP A 20 13.320 1.986 -4.436 1.00 0.00 C ATOM 320 C ASP A 20 12.197 2.158 -5.461 1.00 0.00 C ATOM 321 O ASP A 20 11.117 2.654 -5.140 1.00 0.00 O ATOM 322 CB ASP A 20 14.540 2.790 -4.885 1.00 0.00 C ATOM 323 CG ASP A 20 15.689 2.702 -3.900 1.00 0.00 C ATOM 324 OD1 ASP A 20 15.668 3.447 -2.896 1.00 0.00 O ATOM 325 OD2 ASP A 20 16.608 1.890 -4.131 1.00 0.00 O ATOM 0 H ASP A 20 14.587 0.316 -4.606 1.00 0.00 H new ATOM 0 HA ASP A 20 12.947 2.358 -3.482 1.00 0.00 H new ATOM 0 HB2 ASP A 20 14.872 2.428 -5.858 1.00 0.00 H new ATOM 0 HB3 ASP A 20 14.255 3.834 -5.014 1.00 0.00 H new ATOM 330 N ALA A 21 12.462 1.747 -6.694 1.00 0.00 N ATOM 331 CA ALA A 21 11.540 1.983 -7.803 1.00 0.00 C ATOM 332 C ALA A 21 10.260 1.143 -7.771 1.00 0.00 C ATOM 333 O ALA A 21 9.175 1.668 -8.018 1.00 0.00 O ATOM 334 CB ALA A 21 12.265 1.786 -9.121 1.00 0.00 C ATOM 0 H ALA A 21 13.311 1.246 -6.955 1.00 0.00 H new ATOM 0 HA ALA A 21 11.205 3.014 -7.694 1.00 0.00 H new ATOM 0 HB1 ALA A 21 11.575 1.963 -9.946 1.00 0.00 H new ATOM 0 HB2 ALA A 21 13.097 2.487 -9.187 1.00 0.00 H new ATOM 0 HB3 ALA A 21 12.645 0.766 -9.178 1.00 0.00 H new ATOM 340 N ALA A 22 10.376 -0.160 -7.534 1.00 0.00 N ATOM 341 CA ALA A 22 9.207 -1.038 -7.615 1.00 0.00 C ATOM 342 C ALA A 22 8.067 -0.544 -6.744 1.00 0.00 C ATOM 343 O ALA A 22 7.016 -0.164 -7.245 1.00 0.00 O ATOM 344 CB ALA A 22 9.583 -2.452 -7.212 1.00 0.00 C ATOM 0 H ALA A 22 11.249 -0.627 -7.289 1.00 0.00 H new ATOM 0 HA ALA A 22 8.866 -1.030 -8.650 1.00 0.00 H new ATOM 0 HB1 ALA A 22 8.705 -3.094 -7.277 1.00 0.00 H new ATOM 0 HB2 ALA A 22 10.357 -2.827 -7.881 1.00 0.00 H new ATOM 0 HB3 ALA A 22 9.957 -2.451 -6.188 1.00 0.00 H new ATOM 350 N VAL A 23 8.313 -0.450 -5.459 1.00 0.00 N ATOM 351 CA VAL A 23 7.300 0.022 -4.531 1.00 0.00 C ATOM 352 C VAL A 23 6.955 1.475 -4.811 1.00 0.00 C ATOM 353 O VAL A 23 5.797 1.877 -4.737 1.00 0.00 O ATOM 354 CB VAL A 23 7.790 -0.128 -3.090 1.00 0.00 C ATOM 355 CG1 VAL A 23 7.756 -1.594 -2.698 1.00 0.00 C ATOM 356 CG2 VAL A 23 9.202 0.422 -2.964 1.00 0.00 C ATOM 0 H VAL A 23 9.205 -0.693 -5.027 1.00 0.00 H new ATOM 0 HA VAL A 23 6.403 -0.583 -4.666 1.00 0.00 H new ATOM 0 HB VAL A 23 7.138 0.435 -2.422 1.00 0.00 H new ATOM 0 HG11 VAL A 23 8.105 -1.704 -1.671 1.00 0.00 H new ATOM 0 HG12 VAL A 23 6.735 -1.968 -2.777 1.00 0.00 H new ATOM 0 HG13 VAL A 23 8.404 -2.164 -3.364 1.00 0.00 H new ATOM 0 HG21 VAL A 23 9.545 0.312 -1.935 1.00 0.00 H new ATOM 0 HG22 VAL A 23 9.868 -0.128 -3.629 1.00 0.00 H new ATOM 0 HG23 VAL A 23 9.207 1.477 -3.237 1.00 0.00 H new ATOM 366 N LEU A 24 7.968 2.248 -5.171 1.00 0.00 N ATOM 367 CA LEU A 24 7.782 3.647 -5.505 1.00 0.00 C ATOM 368 C LEU A 24 6.755 3.803 -6.618 1.00 0.00 C ATOM 369 O LEU A 24 5.786 4.549 -6.490 1.00 0.00 O ATOM 370 CB LEU A 24 9.117 4.226 -5.953 1.00 0.00 C ATOM 371 CG LEU A 24 9.043 5.583 -6.657 1.00 0.00 C ATOM 372 CD1 LEU A 24 9.757 6.642 -5.837 1.00 0.00 C ATOM 373 CD2 LEU A 24 9.643 5.493 -8.053 1.00 0.00 C ATOM 0 H LEU A 24 8.933 1.925 -5.239 1.00 0.00 H new ATOM 0 HA LEU A 24 7.417 4.179 -4.627 1.00 0.00 H new ATOM 0 HB2 LEU A 24 9.762 4.324 -5.080 1.00 0.00 H new ATOM 0 HB3 LEU A 24 9.595 3.513 -6.625 1.00 0.00 H new ATOM 0 HG LEU A 24 7.995 5.868 -6.752 1.00 0.00 H new ATOM 0 HD11 LEU A 24 9.696 7.602 -6.350 1.00 0.00 H new ATOM 0 HD12 LEU A 24 9.285 6.723 -4.858 1.00 0.00 H new ATOM 0 HD13 LEU A 24 10.803 6.362 -5.713 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.582 6.467 -8.539 1.00 0.00 H new ATOM 0 HD22 LEU A 24 10.687 5.188 -7.981 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.090 4.759 -8.640 1.00 0.00 H new ATOM 385 N GLU A 25 6.989 3.096 -7.717 1.00 0.00 N ATOM 386 CA GLU A 25 6.092 3.143 -8.860 1.00 0.00 C ATOM 387 C GLU A 25 4.837 2.340 -8.580 1.00 0.00 C ATOM 388 O GLU A 25 3.727 2.766 -8.895 1.00 0.00 O ATOM 389 CB GLU A 25 6.796 2.594 -10.101 1.00 0.00 C ATOM 390 CG GLU A 25 7.234 3.676 -11.068 1.00 0.00 C ATOM 391 CD GLU A 25 8.594 3.398 -11.679 1.00 0.00 C ATOM 392 OE1 GLU A 25 9.563 3.217 -10.912 1.00 0.00 O ATOM 393 OE2 GLU A 25 8.689 3.360 -12.924 1.00 0.00 O ATOM 0 H GLU A 25 7.795 2.483 -7.839 1.00 0.00 H new ATOM 0 HA GLU A 25 5.811 4.181 -9.039 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.668 2.018 -9.791 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.126 1.905 -10.616 1.00 0.00 H new ATOM 0 HG2 GLU A 25 6.495 3.768 -11.864 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.263 4.633 -10.547 1.00 0.00 H new ATOM 400 N ILE A 26 5.026 1.179 -7.975 1.00 0.00 N ATOM 401 CA ILE A 26 3.908 0.313 -7.628 1.00 0.00 C ATOM 402 C ILE A 26 2.881 1.085 -6.813 1.00 0.00 C ATOM 403 O ILE A 26 1.691 1.064 -7.127 1.00 0.00 O ATOM 404 CB ILE A 26 4.374 -0.956 -6.857 1.00 0.00 C ATOM 405 CG1 ILE A 26 5.016 -1.955 -7.823 1.00 0.00 C ATOM 406 CG2 ILE A 26 3.219 -1.631 -6.125 1.00 0.00 C ATOM 407 CD1 ILE A 26 5.646 -3.140 -7.127 1.00 0.00 C ATOM 0 H ILE A 26 5.942 0.813 -7.714 1.00 0.00 H new ATOM 0 HA ILE A 26 3.448 -0.023 -8.557 1.00 0.00 H new ATOM 0 HB ILE A 26 5.105 -0.635 -6.115 1.00 0.00 H new ATOM 0 HG12 ILE A 26 4.259 -2.313 -8.521 1.00 0.00 H new ATOM 0 HG13 ILE A 26 5.776 -1.442 -8.413 1.00 0.00 H new ATOM 0 HG21 ILE A 26 3.587 -2.512 -5.600 1.00 0.00 H new ATOM 0 HG22 ILE A 26 2.787 -0.934 -5.407 1.00 0.00 H new ATOM 0 HG23 ILE A 26 2.457 -1.929 -6.845 1.00 0.00 H new ATOM 0 HD11 ILE A 26 6.082 -3.808 -7.869 1.00 0.00 H new ATOM 0 HD12 ILE A 26 6.426 -2.792 -6.449 1.00 0.00 H new ATOM 0 HD13 ILE A 26 4.885 -3.676 -6.560 1.00 0.00 H new ATOM 419 N LEU A 27 3.333 1.753 -5.761 1.00 0.00 N ATOM 420 CA LEU A 27 2.414 2.480 -4.909 1.00 0.00 C ATOM 421 C LEU A 27 1.779 3.648 -5.653 1.00 0.00 C ATOM 422 O LEU A 27 0.575 3.882 -5.544 1.00 0.00 O ATOM 423 CB LEU A 27 3.093 2.983 -3.631 1.00 0.00 C ATOM 424 CG LEU A 27 2.429 2.529 -2.324 1.00 0.00 C ATOM 425 CD1 LEU A 27 2.861 3.409 -1.167 1.00 0.00 C ATOM 426 CD2 LEU A 27 0.915 2.538 -2.449 1.00 0.00 C ATOM 0 H LEU A 27 4.313 1.805 -5.483 1.00 0.00 H new ATOM 0 HA LEU A 27 1.632 1.777 -4.622 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.130 2.646 -3.631 1.00 0.00 H new ATOM 0 HB3 LEU A 27 3.112 4.073 -3.652 1.00 0.00 H new ATOM 0 HG LEU A 27 2.752 1.507 -2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 27 2.378 3.069 -0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.943 3.351 -1.050 1.00 0.00 H new ATOM 0 HD13 LEU A 27 2.573 4.441 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.470 2.212 -1.509 1.00 0.00 H new ATOM 0 HD22 LEU A 27 0.575 3.547 -2.681 1.00 0.00 H new ATOM 0 HD23 LEU A 27 0.612 1.861 -3.248 1.00 0.00 H new ATOM 438 N HIS A 28 2.591 4.389 -6.400 1.00 0.00 N ATOM 439 CA HIS A 28 2.089 5.530 -7.153 1.00 0.00 C ATOM 440 C HIS A 28 0.932 5.104 -8.054 1.00 0.00 C ATOM 441 O HIS A 28 -0.132 5.721 -8.043 1.00 0.00 O ATOM 442 CB HIS A 28 3.209 6.156 -7.987 1.00 0.00 C ATOM 443 CG HIS A 28 3.147 7.651 -8.046 1.00 0.00 C ATOM 444 ND1 HIS A 28 4.052 8.415 -8.754 1.00 0.00 N ATOM 445 CD2 HIS A 28 2.281 8.525 -7.480 1.00 0.00 C ATOM 446 CE1 HIS A 28 3.743 9.694 -8.621 1.00 0.00 C ATOM 447 NE2 HIS A 28 2.675 9.786 -7.853 1.00 0.00 N ATOM 0 H HIS A 28 3.592 4.221 -6.499 1.00 0.00 H new ATOM 0 HA HIS A 28 1.725 6.276 -6.447 1.00 0.00 H new ATOM 0 HB2 HIS A 28 4.171 5.857 -7.571 1.00 0.00 H new ATOM 0 HB3 HIS A 28 3.162 5.758 -9.001 1.00 0.00 H new ATOM 0 HD2 HIS A 28 1.438 8.276 -6.852 1.00 0.00 H new ATOM 0 HE1 HIS A 28 4.275 10.522 -9.066 1.00 0.00 H new ATOM 0 HE2 HIS A 28 2.215 10.655 -7.580 1.00 0.00 H new ATOM 456 N VAL A 29 1.140 4.034 -8.822 1.00 0.00 N ATOM 457 CA VAL A 29 0.093 3.507 -9.691 1.00 0.00 C ATOM 458 C VAL A 29 -1.021 2.901 -8.851 1.00 0.00 C ATOM 459 O VAL A 29 -2.204 3.060 -9.151 1.00 0.00 O ATOM 460 CB VAL A 29 0.621 2.432 -10.653 1.00 0.00 C ATOM 461 CG1 VAL A 29 -0.288 2.313 -11.869 1.00 0.00 C ATOM 462 CG2 VAL A 29 2.056 2.716 -11.071 1.00 0.00 C ATOM 0 H VAL A 29 2.020 3.519 -8.859 1.00 0.00 H new ATOM 0 HA VAL A 29 -0.280 4.343 -10.283 1.00 0.00 H new ATOM 0 HB VAL A 29 0.618 1.478 -10.125 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.101 1.547 -12.540 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.292 2.038 -11.547 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.324 3.269 -12.391 1.00 0.00 H new ATOM 0 HG21 VAL A 29 2.398 1.936 -11.751 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.104 3.682 -11.573 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.695 2.733 -10.188 1.00 0.00 H new ATOM 472 N LEU A 30 -0.623 2.221 -7.781 1.00 0.00 N ATOM 473 CA LEU A 30 -1.566 1.613 -6.855 1.00 0.00 C ATOM 474 C LEU A 30 -2.627 2.622 -6.439 1.00 0.00 C ATOM 475 O LEU A 30 -3.778 2.263 -6.193 1.00 0.00 O ATOM 476 CB LEU A 30 -0.826 1.102 -5.623 1.00 0.00 C ATOM 477 CG LEU A 30 -0.693 -0.419 -5.517 1.00 0.00 C ATOM 478 CD1 LEU A 30 0.670 -0.800 -4.952 1.00 0.00 C ATOM 479 CD2 LEU A 30 -1.810 -0.983 -4.654 1.00 0.00 C ATOM 0 H LEU A 30 0.356 2.077 -7.534 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.055 0.776 -7.354 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.173 1.538 -5.614 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.341 1.467 -4.734 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.777 -0.847 -6.516 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.745 -1.885 -4.884 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.454 -0.422 -5.608 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.787 -0.366 -3.959 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -1.705 -2.066 -4.586 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.753 -0.549 -3.656 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.774 -0.739 -5.101 1.00 0.00 H new ATOM 491 N ASP A 31 -2.232 3.893 -6.419 1.00 0.00 N ATOM 492 CA ASP A 31 -3.124 4.975 -6.022 1.00 0.00 C ATOM 493 C ASP A 31 -4.445 4.881 -6.771 1.00 0.00 C ATOM 494 O ASP A 31 -5.491 5.278 -6.259 1.00 0.00 O ATOM 495 CB ASP A 31 -2.468 6.319 -6.319 1.00 0.00 C ATOM 496 CG ASP A 31 -2.828 7.381 -5.299 1.00 0.00 C ATOM 497 OD1 ASP A 31 -3.973 7.881 -5.343 1.00 0.00 O ATOM 498 OD2 ASP A 31 -1.967 7.714 -4.458 1.00 0.00 O ATOM 0 H ASP A 31 -1.293 4.198 -6.675 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.318 4.889 -4.953 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.385 6.194 -6.341 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.770 6.656 -7.311 1.00 0.00 H new ATOM 503 N LYS A 32 -4.390 4.325 -7.973 1.00 0.00 N ATOM 504 CA LYS A 32 -5.582 4.147 -8.787 1.00 0.00 C ATOM 505 C LYS A 32 -6.571 3.221 -8.079 1.00 0.00 C ATOM 506 O LYS A 32 -7.676 3.632 -7.724 1.00 0.00 O ATOM 507 CB LYS A 32 -5.174 3.574 -10.151 1.00 0.00 C ATOM 508 CG LYS A 32 -6.315 3.011 -10.985 1.00 0.00 C ATOM 509 CD LYS A 32 -5.858 1.801 -11.781 1.00 0.00 C ATOM 510 CE LYS A 32 -6.254 0.506 -11.092 1.00 0.00 C ATOM 511 NZ LYS A 32 -6.827 -0.482 -12.049 1.00 0.00 N ATOM 0 H LYS A 32 -3.530 3.989 -8.406 1.00 0.00 H new ATOM 0 HA LYS A 32 -6.074 5.108 -8.937 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -4.680 4.359 -10.724 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -4.439 2.785 -9.991 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.143 2.731 -10.334 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -6.688 3.778 -11.664 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.295 1.833 -12.779 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.776 1.833 -11.906 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.381 0.073 -10.603 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -6.983 0.719 -10.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.084 -1.351 -11.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.675 -0.080 -12.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -6.122 -0.706 -12.780 1.00 0.00 H new ATOM 525 N GLU A 33 -6.152 1.980 -7.854 1.00 0.00 N ATOM 526 CA GLU A 33 -6.977 1.008 -7.145 1.00 0.00 C ATOM 527 C GLU A 33 -6.450 0.792 -5.731 1.00 0.00 C ATOM 528 O GLU A 33 -6.409 -0.334 -5.236 1.00 0.00 O ATOM 529 CB GLU A 33 -7.009 -0.316 -7.904 1.00 0.00 C ATOM 530 CG GLU A 33 -8.402 -0.738 -8.352 1.00 0.00 C ATOM 531 CD GLU A 33 -9.170 0.367 -9.060 1.00 0.00 C ATOM 532 OE1 GLU A 33 -8.643 1.495 -9.158 1.00 0.00 O ATOM 533 OE2 GLU A 33 -10.301 0.102 -9.516 1.00 0.00 O ATOM 0 H GLU A 33 -5.244 1.623 -8.153 1.00 0.00 H new ATOM 0 HA GLU A 33 -7.992 1.399 -7.082 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.365 -0.237 -8.780 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -6.590 -1.097 -7.270 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -8.317 -1.596 -9.019 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -8.971 -1.066 -7.482 1.00 0.00 H new ATOM 540 N PHE A 34 -6.032 1.876 -5.086 1.00 0.00 N ATOM 541 CA PHE A 34 -5.435 1.788 -3.767 1.00 0.00 C ATOM 542 C PHE A 34 -6.462 1.599 -2.653 1.00 0.00 C ATOM 543 O PHE A 34 -7.673 1.703 -2.853 1.00 0.00 O ATOM 544 CB PHE A 34 -4.550 2.997 -3.468 1.00 0.00 C ATOM 545 CG PHE A 34 -3.435 2.669 -2.508 1.00 0.00 C ATOM 546 CD1 PHE A 34 -2.694 1.509 -2.667 1.00 0.00 C ATOM 547 CD2 PHE A 34 -3.184 3.466 -1.405 1.00 0.00 C ATOM 548 CE1 PHE A 34 -1.705 1.173 -1.766 1.00 0.00 C ATOM 549 CE2 PHE A 34 -2.198 3.132 -0.496 1.00 0.00 C ATOM 550 CZ PHE A 34 -1.456 1.984 -0.678 1.00 0.00 C ATOM 0 H PHE A 34 -6.097 2.823 -5.459 1.00 0.00 H new ATOM 0 HA PHE A 34 -4.814 0.892 -3.787 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -4.126 3.372 -4.399 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -5.161 3.797 -3.051 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -2.893 0.860 -3.507 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -3.767 4.362 -1.252 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -1.125 0.274 -1.912 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -2.009 3.769 0.355 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.683 1.721 0.029 1.00 0.00 H new ATOM 560 N VAL A 35 -5.917 1.300 -1.483 1.00 0.00 N ATOM 561 CA VAL A 35 -6.657 0.949 -0.279 1.00 0.00 C ATOM 562 C VAL A 35 -7.214 2.119 0.587 1.00 0.00 C ATOM 563 O VAL A 35 -7.754 1.857 1.660 1.00 0.00 O ATOM 564 CB VAL A 35 -5.677 0.136 0.594 1.00 0.00 C ATOM 565 CG1 VAL A 35 -4.542 1.026 1.060 1.00 0.00 C ATOM 566 CG2 VAL A 35 -6.353 -0.554 1.758 1.00 0.00 C ATOM 0 H VAL A 35 -4.907 1.295 -1.340 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.550 0.420 -0.613 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.273 -0.663 -0.027 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.854 0.446 1.675 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.010 1.420 0.194 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.945 1.852 1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.611 -1.109 2.333 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.825 0.191 2.398 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -7.110 -1.243 1.383 1.00 0.00 H new ATOM 576 N PRO A 36 -7.105 3.413 0.203 1.00 0.00 N ATOM 577 CA PRO A 36 -7.574 4.503 1.061 1.00 0.00 C ATOM 578 C PRO A 36 -9.011 4.936 0.808 1.00 0.00 C ATOM 579 O PRO A 36 -9.252 5.916 0.103 1.00 0.00 O ATOM 580 CB PRO A 36 -6.627 5.632 0.696 1.00 0.00 C ATOM 581 CG PRO A 36 -6.298 5.412 -0.740 1.00 0.00 C ATOM 582 CD PRO A 36 -6.479 3.939 -1.015 1.00 0.00 C ATOM 0 HA PRO A 36 -7.574 4.203 2.109 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -7.095 6.604 0.849 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -5.730 5.609 1.314 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -6.950 6.006 -1.380 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -5.275 5.721 -0.953 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -7.109 3.773 -1.889 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -5.524 3.452 -1.213 1.00 0.00 H new ATOM 590 N THR A 37 -9.965 4.245 1.424 1.00 0.00 N ATOM 591 CA THR A 37 -11.361 4.651 1.328 1.00 0.00 C ATOM 592 C THR A 37 -11.934 4.837 2.726 1.00 0.00 C ATOM 593 O THR A 37 -11.206 4.727 3.712 1.00 0.00 O ATOM 594 CB THR A 37 -12.195 3.651 0.525 1.00 0.00 C ATOM 595 OG1 THR A 37 -12.789 2.691 1.378 1.00 0.00 O ATOM 596 CG2 THR A 37 -11.410 2.921 -0.548 1.00 0.00 C ATOM 0 H THR A 37 -9.800 3.411 1.988 1.00 0.00 H new ATOM 0 HA THR A 37 -11.404 5.598 0.791 1.00 0.00 H new ATOM 0 HB THR A 37 -12.957 4.251 0.027 1.00 0.00 H new ATOM 0 HG1 THR A 37 -13.226 1.999 0.838 1.00 0.00 H new ATOM 0 HG21 THR A 37 -12.069 2.230 -1.074 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.002 3.643 -1.255 1.00 0.00 H new ATOM 0 HG23 THR A 37 -10.594 2.364 -0.087 1.00 0.00 H new ATOM 604 N GLU A 38 -13.232 5.106 2.824 1.00 0.00 N ATOM 605 CA GLU A 38 -13.857 5.275 4.133 1.00 0.00 C ATOM 606 C GLU A 38 -13.540 4.072 5.015 1.00 0.00 C ATOM 607 O GLU A 38 -12.923 4.206 6.071 1.00 0.00 O ATOM 608 CB GLU A 38 -15.372 5.436 3.984 1.00 0.00 C ATOM 609 CG GLU A 38 -15.818 6.881 3.823 1.00 0.00 C ATOM 610 CD GLU A 38 -17.325 7.034 3.871 1.00 0.00 C ATOM 611 OE1 GLU A 38 -17.996 6.623 2.902 1.00 0.00 O ATOM 612 OE2 GLU A 38 -17.835 7.565 4.880 1.00 0.00 O ATOM 0 H GLU A 38 -13.863 5.210 2.029 1.00 0.00 H new ATOM 0 HA GLU A 38 -13.459 6.175 4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -15.707 4.863 3.119 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -15.862 5.009 4.859 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -15.370 7.486 4.611 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -15.447 7.268 2.874 1.00 0.00 H new ATOM 619 N LYS A 39 -13.935 2.895 4.546 1.00 0.00 N ATOM 620 CA LYS A 39 -13.624 1.649 5.234 1.00 0.00 C ATOM 621 C LYS A 39 -12.199 1.204 4.920 1.00 0.00 C ATOM 622 O LYS A 39 -11.457 0.772 5.800 1.00 0.00 O ATOM 623 CB LYS A 39 -14.609 0.557 4.820 1.00 0.00 C ATOM 624 CG LYS A 39 -16.065 0.931 5.044 1.00 0.00 C ATOM 625 CD LYS A 39 -16.939 0.482 3.884 1.00 0.00 C ATOM 626 CE LYS A 39 -18.409 0.452 4.273 1.00 0.00 C ATOM 627 NZ LYS A 39 -19.017 1.812 4.252 1.00 0.00 N ATOM 0 H LYS A 39 -14.474 2.777 3.688 1.00 0.00 H new ATOM 0 HA LYS A 39 -13.710 1.820 6.307 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -14.460 0.327 3.765 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.386 -0.352 5.379 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.421 0.475 5.968 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -16.150 2.011 5.169 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -16.799 1.156 3.039 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -16.628 -0.510 3.555 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -18.952 -0.199 3.588 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -18.512 0.024 5.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -20.019 1.748 4.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.515 2.427 4.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.942 2.211 3.295 1.00 0.00 H new ATOM 641 N LEU A 40 -11.846 1.288 3.640 1.00 0.00 N ATOM 642 CA LEU A 40 -10.544 0.842 3.153 1.00 0.00 C ATOM 643 C LEU A 40 -9.389 1.593 3.805 1.00 0.00 C ATOM 644 O LEU A 40 -8.282 1.066 3.895 1.00 0.00 O ATOM 645 CB LEU A 40 -10.478 1.000 1.627 1.00 0.00 C ATOM 646 CG LEU A 40 -9.726 -0.094 0.890 1.00 0.00 C ATOM 647 CD1 LEU A 40 -10.220 -1.443 1.345 1.00 0.00 C ATOM 648 CD2 LEU A 40 -9.884 0.072 -0.612 1.00 0.00 C ATOM 0 H LEU A 40 -12.453 1.666 2.913 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.438 -0.208 3.424 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -11.496 1.042 1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.009 1.957 1.398 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.663 -0.019 1.121 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -9.679 -2.227 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -10.054 -1.549 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -11.286 -1.531 1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.339 -0.720 -1.125 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.940 0.015 -0.875 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -9.486 1.041 -0.915 1.00 0.00 H new ATOM 660 N LEU A 41 -9.632 2.821 4.247 1.00 0.00 N ATOM 661 CA LEU A 41 -8.580 3.607 4.881 1.00 0.00 C ATOM 662 C LEU A 41 -7.933 2.813 6.014 1.00 0.00 C ATOM 663 O LEU A 41 -6.714 2.668 6.058 1.00 0.00 O ATOM 664 CB LEU A 41 -9.138 4.930 5.401 1.00 0.00 C ATOM 665 CG LEU A 41 -8.241 5.678 6.392 1.00 0.00 C ATOM 666 CD1 LEU A 41 -8.402 5.096 7.785 1.00 0.00 C ATOM 667 CD2 LEU A 41 -6.784 5.624 5.949 1.00 0.00 C ATOM 0 H LEU A 41 -10.536 3.290 4.180 1.00 0.00 H new ATOM 0 HA LEU A 41 -7.816 3.829 4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.333 5.582 4.550 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.098 4.737 5.880 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.546 6.724 6.415 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.760 5.635 8.481 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.441 5.191 8.101 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.121 4.043 7.774 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.165 6.162 6.667 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.458 4.585 5.895 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.685 6.087 4.967 1.00 0.00 H new ATOM 679 N ARG A 42 -8.748 2.246 6.894 1.00 0.00 N ATOM 680 CA ARG A 42 -8.218 1.401 7.960 1.00 0.00 C ATOM 681 C ARG A 42 -7.421 0.260 7.336 1.00 0.00 C ATOM 682 O ARG A 42 -6.358 -0.141 7.830 1.00 0.00 O ATOM 683 CB ARG A 42 -9.347 0.856 8.843 1.00 0.00 C ATOM 684 CG ARG A 42 -10.126 -0.294 8.220 1.00 0.00 C ATOM 685 CD ARG A 42 -11.588 -0.266 8.628 1.00 0.00 C ATOM 686 NE ARG A 42 -11.976 -1.464 9.369 1.00 0.00 N ATOM 687 CZ ARG A 42 -13.070 -1.546 10.117 1.00 0.00 C ATOM 688 NH1 ARG A 42 -13.884 -0.505 10.223 1.00 0.00 N ATOM 689 NH2 ARG A 42 -13.354 -2.671 10.759 1.00 0.00 N ATOM 0 H ARG A 42 -9.762 2.352 6.894 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.564 1.995 8.598 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -8.923 0.522 9.790 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -10.038 1.667 9.071 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -10.050 -0.239 7.134 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -9.681 -1.242 8.523 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -11.776 0.615 9.241 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -12.210 -0.174 7.738 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.372 -2.284 9.308 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -13.671 0.362 9.729 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -14.724 -0.571 10.798 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -12.732 -3.475 10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.195 -2.732 11.333 1.00 0.00 H new ATOM 703 N GLU A 43 -7.927 -0.236 6.215 1.00 0.00 N ATOM 704 CA GLU A 43 -7.235 -1.269 5.483 1.00 0.00 C ATOM 705 C GLU A 43 -5.922 -0.701 4.965 1.00 0.00 C ATOM 706 O GLU A 43 -4.913 -1.396 4.901 1.00 0.00 O ATOM 707 CB GLU A 43 -8.091 -1.793 4.335 1.00 0.00 C ATOM 708 CG GLU A 43 -8.646 -3.188 4.577 1.00 0.00 C ATOM 709 CD GLU A 43 -9.927 -3.447 3.808 1.00 0.00 C ATOM 710 OE1 GLU A 43 -10.967 -2.858 4.171 1.00 0.00 O ATOM 711 OE2 GLU A 43 -9.890 -4.242 2.846 1.00 0.00 O ATOM 0 H GLU A 43 -8.810 0.063 5.801 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.034 -2.111 6.145 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -8.920 -1.105 4.168 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -7.495 -1.802 3.423 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -7.898 -3.927 4.290 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.833 -3.321 5.643 1.00 0.00 H new ATOM 718 N THR A 44 -5.929 0.597 4.663 1.00 0.00 N ATOM 719 CA THR A 44 -4.707 1.275 4.269 1.00 0.00 C ATOM 720 C THR A 44 -3.709 1.157 5.400 1.00 0.00 C ATOM 721 O THR A 44 -2.508 1.083 5.173 1.00 0.00 O ATOM 722 CB THR A 44 -4.960 2.751 3.913 1.00 0.00 C ATOM 723 OG1 THR A 44 -6.138 2.901 3.133 1.00 0.00 O ATOM 724 CG2 THR A 44 -3.820 3.386 3.137 1.00 0.00 C ATOM 0 H THR A 44 -6.759 1.189 4.685 1.00 0.00 H new ATOM 0 HA THR A 44 -4.312 0.802 3.370 1.00 0.00 H new ATOM 0 HB THR A 44 -5.060 3.255 4.874 1.00 0.00 H new ATOM 0 HG1 THR A 44 -6.578 2.031 3.035 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.063 4.426 2.919 1.00 0.00 H new ATOM 0 HG22 THR A 44 -2.907 3.344 3.732 1.00 0.00 H new ATOM 0 HG23 THR A 44 -3.670 2.845 2.203 1.00 0.00 H new ATOM 732 N LYS A 45 -4.222 1.047 6.621 1.00 0.00 N ATOM 733 CA LYS A 45 -3.368 0.823 7.768 1.00 0.00 C ATOM 734 C LYS A 45 -2.636 -0.500 7.586 1.00 0.00 C ATOM 735 O LYS A 45 -1.410 -0.572 7.720 1.00 0.00 O ATOM 736 CB LYS A 45 -4.186 0.807 9.061 1.00 0.00 C ATOM 737 CG LYS A 45 -3.416 1.318 10.268 1.00 0.00 C ATOM 738 CD LYS A 45 -4.341 1.938 11.304 1.00 0.00 C ATOM 739 CE LYS A 45 -3.684 1.988 12.674 1.00 0.00 C ATOM 740 NZ LYS A 45 -4.643 2.397 13.736 1.00 0.00 N ATOM 0 H LYS A 45 -5.217 1.110 6.835 1.00 0.00 H new ATOM 0 HA LYS A 45 -2.646 1.636 7.843 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.080 1.416 8.925 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -4.521 -0.211 9.258 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -2.862 0.496 10.721 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -2.683 2.057 9.946 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -4.615 2.946 10.993 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -5.264 1.361 11.362 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -3.272 1.008 12.915 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -2.849 2.688 12.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -4.155 2.419 14.654 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -5.017 3.343 13.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.428 1.715 13.777 1.00 0.00 H new ATOM 754 N VAL A 46 -3.382 -1.538 7.203 1.00 0.00 N ATOM 755 CA VAL A 46 -2.762 -2.838 6.950 1.00 0.00 C ATOM 756 C VAL A 46 -1.986 -2.812 5.634 1.00 0.00 C ATOM 757 O VAL A 46 -0.935 -3.441 5.508 1.00 0.00 O ATOM 758 CB VAL A 46 -3.779 -4.000 6.934 1.00 0.00 C ATOM 759 CG1 VAL A 46 -4.580 -4.025 8.226 1.00 0.00 C ATOM 760 CG2 VAL A 46 -4.702 -3.918 5.730 1.00 0.00 C ATOM 0 H VAL A 46 -4.392 -1.507 7.064 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.079 -3.020 7.780 1.00 0.00 H new ATOM 0 HB VAL A 46 -3.218 -4.931 6.854 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.292 -4.850 8.197 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.904 -4.158 9.071 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.119 -3.084 8.338 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -5.404 -4.752 5.752 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.254 -2.978 5.758 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -4.112 -3.965 4.815 1.00 0.00 H new ATOM 770 N GLY A 47 -2.491 -2.047 4.670 1.00 0.00 N ATOM 771 CA GLY A 47 -1.809 -1.916 3.399 1.00 0.00 C ATOM 772 C GLY A 47 -0.484 -1.210 3.561 1.00 0.00 C ATOM 773 O GLY A 47 0.529 -1.639 3.009 1.00 0.00 O ATOM 0 H GLY A 47 -3.359 -1.517 4.748 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -1.648 -2.903 2.966 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.437 -1.361 2.702 1.00 0.00 H new ATOM 777 N VAL A 48 -0.483 -0.145 4.355 1.00 0.00 N ATOM 778 CA VAL A 48 0.741 0.580 4.649 1.00 0.00 C ATOM 779 C VAL A 48 1.760 -0.375 5.234 1.00 0.00 C ATOM 780 O VAL A 48 2.951 -0.266 4.976 1.00 0.00 O ATOM 781 CB VAL A 48 0.503 1.731 5.643 1.00 0.00 C ATOM 782 CG1 VAL A 48 1.820 2.385 6.033 1.00 0.00 C ATOM 783 CG2 VAL A 48 -0.450 2.746 5.051 1.00 0.00 C ATOM 0 H VAL A 48 -1.317 0.233 4.805 1.00 0.00 H new ATOM 0 HA VAL A 48 1.106 1.010 3.716 1.00 0.00 H new ATOM 0 HB VAL A 48 0.051 1.322 6.547 1.00 0.00 H new ATOM 0 HG11 VAL A 48 1.629 3.196 6.736 1.00 0.00 H new ATOM 0 HG12 VAL A 48 2.469 1.645 6.500 1.00 0.00 H new ATOM 0 HG13 VAL A 48 2.306 2.784 5.143 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.610 3.555 5.764 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -0.026 3.151 4.132 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.402 2.265 4.829 1.00 0.00 H new ATOM 793 N GLU A 49 1.283 -1.302 6.042 1.00 0.00 N ATOM 794 CA GLU A 49 2.169 -2.288 6.634 1.00 0.00 C ATOM 795 C GLU A 49 2.820 -3.115 5.536 1.00 0.00 C ATOM 796 O GLU A 49 4.014 -3.405 5.593 1.00 0.00 O ATOM 797 CB GLU A 49 1.407 -3.176 7.613 1.00 0.00 C ATOM 798 CG GLU A 49 2.217 -3.569 8.838 1.00 0.00 C ATOM 799 CD GLU A 49 1.458 -3.355 10.132 1.00 0.00 C ATOM 800 OE1 GLU A 49 1.474 -2.218 10.650 1.00 0.00 O ATOM 801 OE2 GLU A 49 0.844 -4.323 10.627 1.00 0.00 O ATOM 0 H GLU A 49 0.301 -1.394 6.302 1.00 0.00 H new ATOM 0 HA GLU A 49 2.951 -1.776 7.194 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.505 -2.656 7.936 1.00 0.00 H new ATOM 0 HB3 GLU A 49 1.085 -4.080 7.096 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.504 -4.618 8.758 1.00 0.00 H new ATOM 0 HG3 GLU A 49 3.139 -2.988 8.861 1.00 0.00 H new ATOM 808 N VAL A 50 2.051 -3.441 4.502 1.00 0.00 N ATOM 809 CA VAL A 50 2.619 -4.087 3.334 1.00 0.00 C ATOM 810 C VAL A 50 3.529 -3.070 2.672 1.00 0.00 C ATOM 811 O VAL A 50 4.693 -3.334 2.374 1.00 0.00 O ATOM 812 CB VAL A 50 1.509 -4.590 2.361 1.00 0.00 C ATOM 813 CG1 VAL A 50 1.824 -4.375 0.885 1.00 0.00 C ATOM 814 CG2 VAL A 50 1.230 -6.061 2.627 1.00 0.00 C ATOM 0 H VAL A 50 1.047 -3.270 4.452 1.00 0.00 H new ATOM 0 HA VAL A 50 3.183 -4.975 3.620 1.00 0.00 H new ATOM 0 HB VAL A 50 0.626 -3.985 2.565 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.001 -4.753 0.279 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.958 -3.310 0.693 1.00 0.00 H new ATOM 0 HG13 VAL A 50 2.739 -4.908 0.627 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.454 -6.413 1.947 1.00 0.00 H new ATOM 0 HG22 VAL A 50 2.141 -6.639 2.468 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.895 -6.187 3.656 1.00 0.00 H new ATOM 824 N ASN A 51 3.000 -1.870 2.542 1.00 0.00 N ATOM 825 CA ASN A 51 3.743 -0.772 1.977 1.00 0.00 C ATOM 826 C ASN A 51 5.090 -0.642 2.677 1.00 0.00 C ATOM 827 O ASN A 51 6.091 -0.270 2.073 1.00 0.00 O ATOM 828 CB ASN A 51 2.938 0.516 2.123 1.00 0.00 C ATOM 829 CG ASN A 51 3.455 1.630 1.245 1.00 0.00 C ATOM 830 OD1 ASN A 51 3.985 1.387 0.164 1.00 0.00 O ATOM 831 ND2 ASN A 51 3.308 2.864 1.717 1.00 0.00 N ATOM 0 H ASN A 51 2.049 -1.634 2.824 1.00 0.00 H new ATOM 0 HA ASN A 51 3.921 -0.959 0.918 1.00 0.00 H new ATOM 0 HB2 ASN A 51 1.895 0.318 1.875 1.00 0.00 H new ATOM 0 HB3 ASN A 51 2.962 0.839 3.164 1.00 0.00 H new ATOM 0 HD21 ASN A 51 3.643 3.661 1.175 1.00 0.00 H new ATOM 0 HD22 ASN A 51 2.861 3.014 2.621 1.00 0.00 H new ATOM 838 N LYS A 52 5.096 -0.974 3.961 1.00 0.00 N ATOM 839 CA LYS A 52 6.306 -0.938 4.751 1.00 0.00 C ATOM 840 C LYS A 52 7.251 -2.050 4.316 1.00 0.00 C ATOM 841 O LYS A 52 8.467 -1.866 4.287 1.00 0.00 O ATOM 842 CB LYS A 52 5.977 -1.091 6.238 1.00 0.00 C ATOM 843 CG LYS A 52 5.785 0.235 6.954 1.00 0.00 C ATOM 844 CD LYS A 52 6.454 0.235 8.319 1.00 0.00 C ATOM 845 CE LYS A 52 5.993 1.410 9.166 1.00 0.00 C ATOM 846 NZ LYS A 52 5.586 0.982 10.534 1.00 0.00 N ATOM 0 H LYS A 52 4.267 -1.272 4.475 1.00 0.00 H new ATOM 0 HA LYS A 52 6.792 0.025 4.594 1.00 0.00 H new ATOM 0 HB2 LYS A 52 5.070 -1.686 6.342 1.00 0.00 H new ATOM 0 HB3 LYS A 52 6.780 -1.645 6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 52 6.197 1.041 6.346 1.00 0.00 H new ATOM 0 HG3 LYS A 52 4.720 0.436 7.070 1.00 0.00 H new ATOM 0 HD2 LYS A 52 6.228 -0.698 8.836 1.00 0.00 H new ATOM 0 HD3 LYS A 52 7.536 0.277 8.195 1.00 0.00 H new ATOM 0 HE2 LYS A 52 6.797 2.143 9.239 1.00 0.00 H new ATOM 0 HE3 LYS A 52 5.154 1.904 8.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 5.278 1.812 11.080 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 4.802 0.302 10.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 6.393 0.533 11.012 1.00 0.00 H new ATOM 860 N PHE A 53 6.663 -3.206 3.974 1.00 0.00 N ATOM 861 CA PHE A 53 7.414 -4.413 3.592 1.00 0.00 C ATOM 862 C PHE A 53 8.770 -4.476 4.299 1.00 0.00 C ATOM 863 O PHE A 53 9.826 -4.433 3.668 1.00 0.00 O ATOM 864 CB PHE A 53 7.572 -4.534 2.070 1.00 0.00 C ATOM 865 CG PHE A 53 8.115 -3.313 1.382 1.00 0.00 C ATOM 866 CD1 PHE A 53 7.260 -2.345 0.877 1.00 0.00 C ATOM 867 CD2 PHE A 53 9.478 -3.174 1.171 1.00 0.00 C ATOM 868 CE1 PHE A 53 7.760 -1.236 0.217 1.00 0.00 C ATOM 869 CE2 PHE A 53 9.980 -2.071 0.509 1.00 0.00 C ATOM 870 CZ PHE A 53 9.127 -1.104 0.035 1.00 0.00 C ATOM 0 H PHE A 53 5.651 -3.331 3.954 1.00 0.00 H new ATOM 0 HA PHE A 53 6.828 -5.270 3.923 1.00 0.00 H new ATOM 0 HB2 PHE A 53 8.231 -5.375 1.855 1.00 0.00 H new ATOM 0 HB3 PHE A 53 6.600 -4.772 1.638 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.193 -2.458 1.000 1.00 0.00 H new ATOM 0 HD2 PHE A 53 10.154 -3.936 1.528 1.00 0.00 H new ATOM 0 HE1 PHE A 53 7.088 -0.477 -0.154 1.00 0.00 H new ATOM 0 HE2 PHE A 53 11.045 -1.968 0.364 1.00 0.00 H new ATOM 0 HZ PHE A 53 9.522 -0.241 -0.480 1.00 0.00 H new ATOM 880 N LYS A 54 8.706 -4.528 5.626 1.00 0.00 N ATOM 881 CA LYS A 54 9.889 -4.519 6.474 1.00 0.00 C ATOM 882 C LYS A 54 10.842 -5.690 6.159 1.00 0.00 C ATOM 883 O LYS A 54 11.376 -5.763 5.052 1.00 0.00 O ATOM 884 CB LYS A 54 9.440 -4.513 7.937 1.00 0.00 C ATOM 885 CG LYS A 54 10.565 -4.249 8.922 1.00 0.00 C ATOM 886 CD LYS A 54 10.694 -2.767 9.236 1.00 0.00 C ATOM 887 CE LYS A 54 9.416 -2.212 9.841 1.00 0.00 C ATOM 888 NZ LYS A 54 9.645 -0.911 10.530 1.00 0.00 N ATOM 0 H LYS A 54 7.828 -4.578 6.143 1.00 0.00 H new ATOM 0 HA LYS A 54 10.467 -3.617 6.274 1.00 0.00 H new ATOM 0 HB2 LYS A 54 8.669 -3.753 8.068 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.983 -5.474 8.171 1.00 0.00 H new ATOM 0 HG2 LYS A 54 10.381 -4.802 9.843 1.00 0.00 H new ATOM 0 HG3 LYS A 54 11.504 -4.618 8.510 1.00 0.00 H new ATOM 0 HD2 LYS A 54 11.522 -2.611 9.927 1.00 0.00 H new ATOM 0 HD3 LYS A 54 10.933 -2.220 8.324 1.00 0.00 H new ATOM 0 HE2 LYS A 54 8.671 -2.081 9.057 1.00 0.00 H new ATOM 0 HE3 LYS A 54 9.008 -2.932 10.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 8.748 -0.567 10.929 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 10.337 -1.041 11.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 10.010 -0.216 9.847 1.00 0.00 H new ATOM 902 N LYS A 55 11.101 -6.578 7.131 1.00 0.00 N ATOM 903 CA LYS A 55 12.034 -7.684 6.919 1.00 0.00 C ATOM 904 C LYS A 55 11.323 -8.928 6.400 1.00 0.00 C ATOM 905 O LYS A 55 11.396 -9.242 5.212 1.00 0.00 O ATOM 906 CB LYS A 55 12.771 -8.007 8.219 1.00 0.00 C ATOM 907 CG LYS A 55 13.624 -6.859 8.729 1.00 0.00 C ATOM 908 CD LYS A 55 14.729 -6.508 7.745 1.00 0.00 C ATOM 909 CE LYS A 55 14.364 -5.290 6.911 1.00 0.00 C ATOM 910 NZ LYS A 55 15.021 -4.053 7.417 1.00 0.00 N ATOM 0 H LYS A 55 10.681 -6.549 8.060 1.00 0.00 H new ATOM 0 HA LYS A 55 12.753 -7.371 6.162 1.00 0.00 H new ATOM 0 HB2 LYS A 55 12.043 -8.276 8.984 1.00 0.00 H new ATOM 0 HB3 LYS A 55 13.405 -8.879 8.061 1.00 0.00 H new ATOM 0 HG2 LYS A 55 12.996 -5.985 8.900 1.00 0.00 H new ATOM 0 HG3 LYS A 55 14.063 -7.129 9.690 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.654 -6.315 8.288 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.917 -7.357 7.088 1.00 0.00 H new ATOM 0 HE2 LYS A 55 14.657 -5.459 5.875 1.00 0.00 H new ATOM 0 HE3 LYS A 55 13.282 -5.156 6.919 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 14.747 -3.246 6.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 14.722 -3.877 8.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 16.054 -4.171 7.386 1.00 0.00 H new ATOM 924 N SER A 56 10.632 -9.634 7.290 1.00 0.00 N ATOM 925 CA SER A 56 9.901 -10.832 6.898 1.00 0.00 C ATOM 926 C SER A 56 8.885 -10.483 5.825 1.00 0.00 C ATOM 927 O SER A 56 8.548 -11.309 4.977 1.00 0.00 O ATOM 928 CB SER A 56 9.196 -11.455 8.099 1.00 0.00 C ATOM 929 OG SER A 56 10.090 -12.237 8.872 1.00 0.00 O ATOM 0 H SER A 56 10.564 -9.399 8.280 1.00 0.00 H new ATOM 0 HA SER A 56 10.612 -11.558 6.504 1.00 0.00 H new ATOM 0 HB2 SER A 56 8.767 -10.668 8.720 1.00 0.00 H new ATOM 0 HB3 SER A 56 8.369 -12.077 7.756 1.00 0.00 H new ATOM 0 HG SER A 56 9.611 -12.622 9.635 1.00 0.00 H new ATOM 935 N THR A 57 8.407 -9.246 5.866 1.00 0.00 N ATOM 936 CA THR A 57 7.504 -8.753 4.849 1.00 0.00 C ATOM 937 C THR A 57 8.335 -8.194 3.712 1.00 0.00 C ATOM 938 O THR A 57 8.388 -6.987 3.479 1.00 0.00 O ATOM 939 CB THR A 57 6.577 -7.687 5.428 1.00 0.00 C ATOM 940 OG1 THR A 57 7.116 -7.146 6.622 1.00 0.00 O ATOM 941 CG2 THR A 57 5.192 -8.202 5.736 1.00 0.00 C ATOM 0 H THR A 57 8.633 -8.570 6.595 1.00 0.00 H new ATOM 0 HA THR A 57 6.874 -9.562 4.479 1.00 0.00 H new ATOM 0 HB THR A 57 6.496 -6.924 4.654 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.508 -6.464 6.976 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.586 -7.393 6.144 1.00 0.00 H new ATOM 0 HG22 THR A 57 4.731 -8.575 4.822 1.00 0.00 H new ATOM 0 HG23 THR A 57 5.258 -9.010 6.465 1.00 0.00 H new ATOM 949 N ASN A 58 9.018 -9.106 3.046 1.00 0.00 N ATOM 950 CA ASN A 58 9.939 -8.776 1.977 1.00 0.00 C ATOM 951 C ASN A 58 9.256 -8.035 0.838 1.00 0.00 C ATOM 952 O ASN A 58 8.036 -8.054 0.714 1.00 0.00 O ATOM 953 CB ASN A 58 10.595 -10.044 1.444 1.00 0.00 C ATOM 954 CG ASN A 58 12.104 -9.927 1.361 1.00 0.00 C ATOM 955 OD1 ASN A 58 12.653 -9.565 0.321 1.00 0.00 O ATOM 956 ND2 ASN A 58 12.783 -10.235 2.459 1.00 0.00 N ATOM 0 H ASN A 58 8.948 -10.106 3.234 1.00 0.00 H new ATOM 0 HA ASN A 58 10.697 -8.113 2.395 1.00 0.00 H new ATOM 0 HB2 ASN A 58 10.334 -10.883 2.089 1.00 0.00 H new ATOM 0 HB3 ASN A 58 10.196 -10.267 0.454 1.00 0.00 H new ATOM 0 HD21 ASN A 58 13.801 -10.176 2.462 1.00 0.00 H new ATOM 0 HD22 ASN A 58 12.287 -10.531 3.300 1.00 0.00 H new ATOM 963 N VAL A 59 10.064 -7.350 0.033 1.00 0.00 N ATOM 964 CA VAL A 59 9.569 -6.559 -1.102 1.00 0.00 C ATOM 965 C VAL A 59 8.417 -7.246 -1.813 1.00 0.00 C ATOM 966 O VAL A 59 7.506 -6.584 -2.305 1.00 0.00 O ATOM 967 CB VAL A 59 10.664 -6.289 -2.157 1.00 0.00 C ATOM 968 CG1 VAL A 59 10.342 -5.029 -2.946 1.00 0.00 C ATOM 969 CG2 VAL A 59 12.042 -6.194 -1.527 1.00 0.00 C ATOM 0 H VAL A 59 11.078 -7.324 0.144 1.00 0.00 H new ATOM 0 HA VAL A 59 9.238 -5.617 -0.665 1.00 0.00 H new ATOM 0 HB VAL A 59 10.679 -7.136 -2.843 1.00 0.00 H new ATOM 0 HG11 VAL A 59 11.123 -4.853 -3.685 1.00 0.00 H new ATOM 0 HG12 VAL A 59 9.385 -5.151 -3.452 1.00 0.00 H new ATOM 0 HG13 VAL A 59 10.287 -4.178 -2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 59 12.784 -6.004 -2.302 1.00 0.00 H new ATOM 0 HG22 VAL A 59 12.056 -5.379 -0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 59 12.277 -7.131 -1.022 1.00 0.00 H new ATOM 979 N GLU A 60 8.437 -8.572 -1.841 1.00 0.00 N ATOM 980 CA GLU A 60 7.350 -9.321 -2.481 1.00 0.00 C ATOM 981 C GLU A 60 6.008 -8.811 -1.964 1.00 0.00 C ATOM 982 O GLU A 60 5.002 -8.824 -2.674 1.00 0.00 O ATOM 983 CB GLU A 60 7.464 -10.830 -2.231 1.00 0.00 C ATOM 984 CG GLU A 60 8.209 -11.215 -0.975 1.00 0.00 C ATOM 985 CD GLU A 60 9.584 -11.783 -1.272 1.00 0.00 C ATOM 986 OE1 GLU A 60 10.475 -11.006 -1.672 1.00 0.00 O ATOM 987 OE2 GLU A 60 9.769 -13.008 -1.102 1.00 0.00 O ATOM 0 H GLU A 60 9.176 -9.147 -1.438 1.00 0.00 H new ATOM 0 HA GLU A 60 7.424 -9.162 -3.557 1.00 0.00 H new ATOM 0 HB2 GLU A 60 6.460 -11.252 -2.184 1.00 0.00 H new ATOM 0 HB3 GLU A 60 7.962 -11.288 -3.086 1.00 0.00 H new ATOM 0 HG2 GLU A 60 8.311 -10.340 -0.333 1.00 0.00 H new ATOM 0 HG3 GLU A 60 7.626 -11.951 -0.421 1.00 0.00 H new ATOM 994 N ILE A 61 6.034 -8.290 -0.742 1.00 0.00 N ATOM 995 CA ILE A 61 4.871 -7.687 -0.127 1.00 0.00 C ATOM 996 C ILE A 61 4.272 -6.636 -1.074 1.00 0.00 C ATOM 997 O ILE A 61 3.059 -6.451 -1.125 1.00 0.00 O ATOM 998 CB ILE A 61 5.262 -7.074 1.250 1.00 0.00 C ATOM 999 CG1 ILE A 61 5.085 -8.089 2.378 1.00 0.00 C ATOM 1000 CG2 ILE A 61 4.454 -5.837 1.592 1.00 0.00 C ATOM 1001 CD1 ILE A 61 5.389 -9.525 2.008 1.00 0.00 C ATOM 0 H ILE A 61 6.867 -8.277 -0.154 1.00 0.00 H new ATOM 0 HA ILE A 61 4.109 -8.445 0.053 1.00 0.00 H new ATOM 0 HB ILE A 61 6.311 -6.791 1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 61 5.729 -7.801 3.209 1.00 0.00 H new ATOM 0 HG13 ILE A 61 4.057 -8.033 2.737 1.00 0.00 H new ATOM 0 HG21 ILE A 61 4.769 -5.453 2.562 1.00 0.00 H new ATOM 0 HG22 ILE A 61 4.616 -5.075 0.830 1.00 0.00 H new ATOM 0 HG23 ILE A 61 3.395 -6.093 1.630 1.00 0.00 H new ATOM 0 HD11 ILE A 61 5.233 -10.165 2.876 1.00 0.00 H new ATOM 0 HD12 ILE A 61 4.728 -9.841 1.201 1.00 0.00 H new ATOM 0 HD13 ILE A 61 6.425 -9.605 1.680 1.00 0.00 H new ATOM 1013 N SER A 62 5.129 -5.952 -1.826 1.00 0.00 N ATOM 1014 CA SER A 62 4.650 -4.967 -2.790 1.00 0.00 C ATOM 1015 C SER A 62 3.683 -5.630 -3.752 1.00 0.00 C ATOM 1016 O SER A 62 2.531 -5.217 -3.872 1.00 0.00 O ATOM 1017 CB SER A 62 5.821 -4.341 -3.550 1.00 0.00 C ATOM 1018 OG SER A 62 5.484 -3.055 -4.040 1.00 0.00 O ATOM 0 H SER A 62 6.143 -6.059 -1.789 1.00 0.00 H new ATOM 0 HA SER A 62 4.133 -4.170 -2.256 1.00 0.00 H new ATOM 0 HB2 SER A 62 6.687 -4.267 -2.892 1.00 0.00 H new ATOM 0 HB3 SER A 62 6.106 -4.987 -4.381 1.00 0.00 H new ATOM 0 HG SER A 62 4.698 -2.718 -3.561 1.00 0.00 H new ATOM 1024 N LYS A 63 4.111 -6.728 -4.357 1.00 0.00 N ATOM 1025 CA LYS A 63 3.226 -7.493 -5.194 1.00 0.00 C ATOM 1026 C LYS A 63 2.067 -7.993 -4.353 1.00 0.00 C ATOM 1027 O LYS A 63 0.941 -8.124 -4.833 1.00 0.00 O ATOM 1028 CB LYS A 63 3.973 -8.660 -5.810 1.00 0.00 C ATOM 1029 CG LYS A 63 3.722 -8.803 -7.292 1.00 0.00 C ATOM 1030 CD LYS A 63 4.737 -9.735 -7.924 1.00 0.00 C ATOM 1031 CE LYS A 63 4.182 -10.410 -9.167 1.00 0.00 C ATOM 1032 NZ LYS A 63 5.219 -11.208 -9.876 1.00 0.00 N ATOM 0 H LYS A 63 5.058 -7.099 -4.280 1.00 0.00 H new ATOM 0 HA LYS A 63 2.846 -6.866 -6.001 1.00 0.00 H new ATOM 0 HB2 LYS A 63 5.042 -8.532 -5.639 1.00 0.00 H new ATOM 0 HB3 LYS A 63 3.678 -9.580 -5.306 1.00 0.00 H new ATOM 0 HG2 LYS A 63 2.716 -9.187 -7.459 1.00 0.00 H new ATOM 0 HG3 LYS A 63 3.773 -7.825 -7.770 1.00 0.00 H new ATOM 0 HD2 LYS A 63 5.634 -9.173 -8.185 1.00 0.00 H new ATOM 0 HD3 LYS A 63 5.035 -10.494 -7.200 1.00 0.00 H new ATOM 0 HE2 LYS A 63 3.353 -11.060 -8.887 1.00 0.00 H new ATOM 0 HE3 LYS A 63 3.781 -9.654 -9.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 4.800 -11.652 -10.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 5.999 -10.584 -10.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 5.584 -11.946 -9.241 1.00 0.00 H new ATOM 1046 N LEU A 64 2.351 -8.229 -3.074 1.00 0.00 N ATOM 1047 CA LEU A 64 1.333 -8.665 -2.143 1.00 0.00 C ATOM 1048 C LEU A 64 0.276 -7.585 -1.981 1.00 0.00 C ATOM 1049 O LEU A 64 -0.910 -7.892 -1.932 1.00 0.00 O ATOM 1050 CB LEU A 64 1.947 -9.028 -0.794 1.00 0.00 C ATOM 1051 CG LEU A 64 1.109 -9.972 0.059 1.00 0.00 C ATOM 1052 CD1 LEU A 64 1.972 -11.089 0.623 1.00 0.00 C ATOM 1053 CD2 LEU A 64 0.426 -9.199 1.176 1.00 0.00 C ATOM 0 H LEU A 64 3.280 -8.123 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 64 0.858 -9.560 -2.544 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.921 -9.485 -0.966 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.120 -8.111 -0.231 1.00 0.00 H new ATOM 0 HG LEU A 64 0.341 -10.424 -0.568 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.357 -11.753 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 64 2.417 -11.654 -0.196 1.00 0.00 H new ATOM 0 HD13 LEU A 64 2.762 -10.662 1.241 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.170 -9.883 1.780 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.180 -8.724 1.804 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.222 -8.435 0.746 1.00 0.00 H new ATOM 1065 N VAL A 65 0.688 -6.307 -1.963 1.00 0.00 N ATOM 1066 CA VAL A 65 -0.291 -5.227 -1.889 1.00 0.00 C ATOM 1067 C VAL A 65 -1.262 -5.372 -3.050 1.00 0.00 C ATOM 1068 O VAL A 65 -2.472 -5.241 -2.883 1.00 0.00 O ATOM 1069 CB VAL A 65 0.328 -3.800 -1.863 1.00 0.00 C ATOM 1070 CG1 VAL A 65 0.634 -3.244 -3.251 1.00 0.00 C ATOM 1071 CG2 VAL A 65 -0.607 -2.861 -1.128 1.00 0.00 C ATOM 0 H VAL A 65 1.663 -6.009 -1.998 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.806 -5.325 -0.933 1.00 0.00 H new ATOM 0 HB VAL A 65 1.284 -3.878 -1.345 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.063 -2.246 -3.157 1.00 0.00 H new ATOM 0 HG12 VAL A 65 1.344 -3.898 -3.757 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.287 -3.190 -3.832 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.176 -1.860 -1.108 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -1.569 -2.832 -1.639 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -0.750 -3.215 -0.107 1.00 0.00 H new ATOM 1081 N LYS A 66 -0.717 -5.746 -4.205 1.00 0.00 N ATOM 1082 CA LYS A 66 -1.535 -5.995 -5.382 1.00 0.00 C ATOM 1083 C LYS A 66 -2.602 -7.033 -5.046 1.00 0.00 C ATOM 1084 O LYS A 66 -3.801 -6.818 -5.258 1.00 0.00 O ATOM 1085 CB LYS A 66 -0.661 -6.482 -6.538 1.00 0.00 C ATOM 1086 CG LYS A 66 -0.841 -5.691 -7.820 1.00 0.00 C ATOM 1087 CD LYS A 66 0.383 -5.820 -8.710 1.00 0.00 C ATOM 1088 CE LYS A 66 1.334 -4.645 -8.542 1.00 0.00 C ATOM 1089 NZ LYS A 66 0.616 -3.341 -8.509 1.00 0.00 N ATOM 0 H LYS A 66 0.284 -5.882 -4.348 1.00 0.00 H new ATOM 0 HA LYS A 66 -2.022 -5.069 -5.688 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.385 -6.432 -6.236 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -0.886 -7.530 -6.735 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.722 -6.048 -8.352 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -1.015 -4.641 -7.584 1.00 0.00 H new ATOM 0 HD2 LYS A 66 0.906 -6.747 -8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 66 0.069 -5.887 -9.752 1.00 0.00 H new ATOM 0 HE2 LYS A 66 1.902 -4.768 -7.620 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.053 -4.641 -9.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.211 -2.606 -8.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -0.275 -3.422 -9.040 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.409 -3.083 -7.523 1.00 0.00 H new ATOM 1103 N LYS A 67 -2.157 -8.137 -4.458 1.00 0.00 N ATOM 1104 CA LYS A 67 -3.069 -9.177 -4.005 1.00 0.00 C ATOM 1105 C LYS A 67 -3.964 -8.612 -2.913 1.00 0.00 C ATOM 1106 O LYS A 67 -5.144 -8.951 -2.808 1.00 0.00 O ATOM 1107 CB LYS A 67 -2.287 -10.380 -3.474 1.00 0.00 C ATOM 1108 CG LYS A 67 -2.507 -11.652 -4.275 1.00 0.00 C ATOM 1109 CD LYS A 67 -3.921 -12.182 -4.102 1.00 0.00 C ATOM 1110 CE LYS A 67 -4.109 -13.508 -4.818 1.00 0.00 C ATOM 1111 NZ LYS A 67 -3.521 -14.641 -4.050 1.00 0.00 N ATOM 0 H LYS A 67 -1.171 -8.334 -4.284 1.00 0.00 H new ATOM 0 HA LYS A 67 -3.680 -9.510 -4.844 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -1.224 -10.140 -3.474 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.573 -10.560 -2.438 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.317 -11.456 -5.330 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.792 -12.411 -3.958 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -4.137 -12.306 -3.041 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.634 -11.454 -4.489 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.172 -13.689 -4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -3.646 -13.458 -5.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -3.670 -15.528 -4.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.501 -14.482 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.981 -14.705 -3.119 1.00 0.00 H new ATOM 1125 N MET A 68 -3.383 -7.719 -2.121 1.00 0.00 N ATOM 1126 CA MET A 68 -4.099 -7.042 -1.057 1.00 0.00 C ATOM 1127 C MET A 68 -5.230 -6.209 -1.652 1.00 0.00 C ATOM 1128 O MET A 68 -6.289 -6.074 -1.049 1.00 0.00 O ATOM 1129 CB MET A 68 -3.127 -6.167 -0.254 1.00 0.00 C ATOM 1130 CG MET A 68 -3.377 -6.160 1.248 1.00 0.00 C ATOM 1131 SD MET A 68 -3.127 -7.781 1.998 1.00 0.00 S ATOM 1132 CE MET A 68 -4.764 -8.115 2.643 1.00 0.00 C ATOM 0 H MET A 68 -2.403 -7.447 -2.201 1.00 0.00 H new ATOM 0 HA MET A 68 -4.535 -7.776 -0.379 1.00 0.00 H new ATOM 0 HB2 MET A 68 -2.110 -6.512 -0.439 1.00 0.00 H new ATOM 0 HB3 MET A 68 -3.188 -5.144 -0.625 1.00 0.00 H new ATOM 0 HG2 MET A 68 -2.711 -5.438 1.720 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.397 -5.827 1.442 1.00 0.00 H new ATOM 0 HE1 MET A 68 -4.769 -9.086 3.137 1.00 0.00 H new ATOM 0 HE2 MET A 68 -5.037 -7.341 3.360 1.00 0.00 H new ATOM 0 HE3 MET A 68 -5.483 -8.121 1.824 1.00 0.00 H new ATOM 1142 N ILE A 69 -5.011 -5.692 -2.865 1.00 0.00 N ATOM 1143 CA ILE A 69 -6.045 -4.936 -3.568 1.00 0.00 C ATOM 1144 C ILE A 69 -7.250 -5.827 -3.826 1.00 0.00 C ATOM 1145 O ILE A 69 -8.390 -5.442 -3.565 1.00 0.00 O ATOM 1146 CB ILE A 69 -5.548 -4.371 -4.920 1.00 0.00 C ATOM 1147 CG1 ILE A 69 -4.368 -3.424 -4.713 1.00 0.00 C ATOM 1148 CG2 ILE A 69 -6.674 -3.647 -5.648 1.00 0.00 C ATOM 1149 CD1 ILE A 69 -3.682 -3.035 -6.006 1.00 0.00 C ATOM 0 H ILE A 69 -4.133 -5.784 -3.375 1.00 0.00 H new ATOM 0 HA ILE A 69 -6.314 -4.096 -2.928 1.00 0.00 H new ATOM 0 HB ILE A 69 -5.217 -5.211 -5.531 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -4.718 -2.523 -4.209 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -3.642 -3.897 -4.052 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -6.303 -3.258 -6.596 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -7.492 -4.343 -5.837 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -7.034 -2.822 -5.033 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -2.853 -2.361 -5.790 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -3.303 -3.930 -6.500 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -4.396 -2.534 -6.660 1.00 0.00 H new ATOM 1161 N SER A 70 -6.990 -7.029 -4.327 1.00 0.00 N ATOM 1162 CA SER A 70 -8.063 -7.977 -4.601 1.00 0.00 C ATOM 1163 C SER A 70 -8.947 -8.151 -3.370 1.00 0.00 C ATOM 1164 O SER A 70 -10.172 -8.055 -3.453 1.00 0.00 O ATOM 1165 CB SER A 70 -7.489 -9.329 -5.026 1.00 0.00 C ATOM 1166 OG SER A 70 -8.478 -10.131 -5.647 1.00 0.00 O ATOM 0 H SER A 70 -6.054 -7.368 -4.550 1.00 0.00 H new ATOM 0 HA SER A 70 -8.668 -7.581 -5.417 1.00 0.00 H new ATOM 0 HB2 SER A 70 -6.657 -9.174 -5.714 1.00 0.00 H new ATOM 0 HB3 SER A 70 -7.090 -9.848 -4.155 1.00 0.00 H new ATOM 0 HG SER A 70 -8.085 -10.989 -5.911 1.00 0.00 H new ATOM 1172 N SER A 71 -8.315 -8.404 -2.229 1.00 0.00 N ATOM 1173 CA SER A 71 -9.038 -8.580 -0.975 1.00 0.00 C ATOM 1174 C SER A 71 -9.480 -7.238 -0.394 1.00 0.00 C ATOM 1175 O SER A 71 -10.428 -7.175 0.387 1.00 0.00 O ATOM 1176 CB SER A 71 -8.166 -9.324 0.038 1.00 0.00 C ATOM 1177 OG SER A 71 -8.954 -9.888 1.072 1.00 0.00 O ATOM 0 H SER A 71 -7.302 -8.492 -2.147 1.00 0.00 H new ATOM 0 HA SER A 71 -9.931 -9.169 -1.185 1.00 0.00 H new ATOM 0 HB2 SER A 71 -7.607 -10.111 -0.468 1.00 0.00 H new ATOM 0 HB3 SER A 71 -7.435 -8.638 0.466 1.00 0.00 H new ATOM 0 HG SER A 71 -8.374 -10.359 1.706 1.00 0.00 H new ATOM 1183 N TRP A 72 -8.777 -6.169 -0.763 1.00 0.00 N ATOM 1184 CA TRP A 72 -9.095 -4.838 -0.254 1.00 0.00 C ATOM 1185 C TRP A 72 -10.556 -4.498 -0.509 1.00 0.00 C ATOM 1186 O TRP A 72 -11.290 -4.136 0.411 1.00 0.00 O ATOM 1187 CB TRP A 72 -8.198 -3.782 -0.907 1.00 0.00 C ATOM 1188 CG TRP A 72 -6.878 -3.609 -0.229 1.00 0.00 C ATOM 1189 CD1 TRP A 72 -6.506 -4.122 0.975 1.00 0.00 C ATOM 1190 CD2 TRP A 72 -5.755 -2.869 -0.718 1.00 0.00 C ATOM 1191 NE1 TRP A 72 -5.220 -3.742 1.274 1.00 0.00 N ATOM 1192 CE2 TRP A 72 -4.736 -2.973 0.248 1.00 0.00 C ATOM 1193 CE3 TRP A 72 -5.516 -2.120 -1.874 1.00 0.00 C ATOM 1194 CZ2 TRP A 72 -3.495 -2.358 0.089 1.00 0.00 C ATOM 1195 CZ3 TRP A 72 -4.283 -1.518 -2.031 1.00 0.00 C ATOM 1196 CH2 TRP A 72 -3.292 -1.633 -1.051 1.00 0.00 C ATOM 0 H TRP A 72 -7.988 -6.198 -1.409 1.00 0.00 H new ATOM 0 HA TRP A 72 -8.916 -4.839 0.821 1.00 0.00 H new ATOM 0 HB2 TRP A 72 -8.028 -4.057 -1.948 1.00 0.00 H new ATOM 0 HB3 TRP A 72 -8.722 -2.826 -0.911 1.00 0.00 H new ATOM 0 HD1 TRP A 72 -7.131 -4.738 1.604 1.00 0.00 H new ATOM 0 HE1 TRP A 72 -4.709 -3.991 2.121 1.00 0.00 H new ATOM 0 HE3 TRP A 72 -6.281 -2.014 -2.629 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 -2.723 -2.451 0.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -4.081 -0.949 -2.926 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -2.344 -1.137 -1.199 1.00 0.00 H new ATOM 1207 N LYS A 73 -10.979 -4.633 -1.760 1.00 0.00 N ATOM 1208 CA LYS A 73 -12.361 -4.368 -2.127 1.00 0.00 C ATOM 1209 C LYS A 73 -13.257 -5.503 -1.650 1.00 0.00 C ATOM 1210 O LYS A 73 -14.416 -5.290 -1.295 1.00 0.00 O ATOM 1211 CB LYS A 73 -12.488 -4.184 -3.640 1.00 0.00 C ATOM 1212 CG LYS A 73 -12.049 -2.809 -4.119 1.00 0.00 C ATOM 1213 CD LYS A 73 -13.112 -2.157 -4.986 1.00 0.00 C ATOM 1214 CE LYS A 73 -13.368 -0.718 -4.567 1.00 0.00 C ATOM 1215 NZ LYS A 73 -14.364 -0.630 -3.464 1.00 0.00 N ATOM 0 H LYS A 73 -10.384 -4.924 -2.536 1.00 0.00 H new ATOM 0 HA LYS A 73 -12.680 -3.445 -1.643 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -11.890 -4.944 -4.143 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -13.525 -4.349 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -11.839 -2.173 -3.259 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -11.121 -2.898 -4.684 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -12.798 -2.183 -6.029 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -14.039 -2.727 -4.918 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -12.431 -0.261 -4.248 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -13.725 -0.148 -5.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -14.511 0.367 -3.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -15.266 -1.043 -3.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -14.012 -1.152 -2.636 1.00 0.00 H new ATOM 1229 N ASP A 74 -12.702 -6.712 -1.626 1.00 0.00 N ATOM 1230 CA ASP A 74 -13.435 -7.878 -1.157 1.00 0.00 C ATOM 1231 C ASP A 74 -14.006 -7.619 0.233 1.00 0.00 C ATOM 1232 O ASP A 74 -15.103 -8.071 0.561 1.00 0.00 O ATOM 1233 CB ASP A 74 -12.520 -9.105 -1.125 1.00 0.00 C ATOM 1234 CG ASP A 74 -13.262 -10.389 -1.437 1.00 0.00 C ATOM 1235 OD1 ASP A 74 -14.486 -10.443 -1.189 1.00 0.00 O ATOM 1236 OD2 ASP A 74 -12.621 -11.341 -1.929 1.00 0.00 O ATOM 0 H ASP A 74 -11.747 -6.907 -1.926 1.00 0.00 H new ATOM 0 HA ASP A 74 -14.257 -8.070 -1.847 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.713 -8.971 -1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -12.059 -9.185 -0.141 1.00 0.00 H new ATOM 1241 N ALA A 75 -13.254 -6.874 1.038 1.00 0.00 N ATOM 1242 CA ALA A 75 -13.682 -6.529 2.388 1.00 0.00 C ATOM 1243 C ALA A 75 -14.866 -5.577 2.354 1.00 0.00 C ATOM 1244 O ALA A 75 -15.721 -5.600 3.239 1.00 0.00 O ATOM 1245 CB ALA A 75 -12.529 -5.917 3.171 1.00 0.00 C ATOM 0 H ALA A 75 -12.343 -6.497 0.777 1.00 0.00 H new ATOM 0 HA ALA A 75 -13.996 -7.444 2.890 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.865 -5.665 4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -11.709 -6.633 3.231 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -12.185 -5.014 2.667 1.00 0.00 H new ATOM 1251 N ILE A 76 -14.910 -4.737 1.328 1.00 0.00 N ATOM 1252 CA ILE A 76 -15.990 -3.777 1.187 1.00 0.00 C ATOM 1253 C ILE A 76 -17.241 -4.434 0.613 1.00 0.00 C ATOM 1254 O ILE A 76 -18.363 -4.058 0.954 1.00 0.00 O ATOM 1255 CB ILE A 76 -15.583 -2.593 0.288 1.00 0.00 C ATOM 1256 CG1 ILE A 76 -14.167 -2.122 0.633 1.00 0.00 C ATOM 1257 CG2 ILE A 76 -16.576 -1.451 0.433 1.00 0.00 C ATOM 1258 CD1 ILE A 76 -14.042 -1.548 2.027 1.00 0.00 C ATOM 0 H ILE A 76 -14.212 -4.703 0.585 1.00 0.00 H new ATOM 0 HA ILE A 76 -16.208 -3.402 2.187 1.00 0.00 H new ATOM 0 HB ILE A 76 -15.591 -2.927 -0.750 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -13.479 -2.962 0.532 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -13.858 -1.368 -0.090 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -16.274 -0.623 -0.208 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -17.569 -1.793 0.141 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -16.598 -1.117 1.470 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -13.012 -1.236 2.201 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -14.704 -0.688 2.127 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -14.320 -2.306 2.759 1.00 0.00 H new ATOM 1270 N ASN A 77 -17.042 -5.418 -0.258 1.00 0.00 N ATOM 1271 CA ASN A 77 -18.157 -6.125 -0.877 1.00 0.00 C ATOM 1272 C ASN A 77 -18.955 -6.901 0.166 1.00 0.00 C ATOM 1273 O ASN A 77 -18.530 -6.921 1.340 1.00 0.00 O ATOM 1274 CB ASN A 77 -17.646 -7.077 -1.959 1.00 0.00 C ATOM 1275 CG ASN A 77 -18.762 -7.607 -2.840 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -19.495 -6.838 -3.463 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -18.894 -8.927 -2.897 1.00 0.00 N ATOM 1278 OXT ASN A 77 -20.001 -7.478 -0.200 1.00 0.00 O ATOM 0 H ASN A 77 -16.121 -5.743 -0.551 1.00 0.00 H new ATOM 0 HA ASN A 77 -18.815 -5.386 -1.335 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -16.914 -6.559 -2.578 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -17.130 -7.914 -1.488 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -19.626 -9.342 -3.474 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -18.264 -9.526 -2.364 1.00 0.00 H new TER 1285 ASN A 77