USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 732 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 ASP N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 151:sc= 0.85 USER MOD Single : A 8 THR OG1 : rot 180:sc= -0.54 USER MOD Single : A 13 GLN : amide:sc= -0.0344 K(o=-0.034,f=-1.2) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -3.57 K(o=-3.6,f=-1.5) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot 180:sc= 0.00174 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.0131 K(o=-0.013,f=-1.8) USER MOD Single : A 27 HIS : no HD1:sc= -1.96 K(o=-2,f=-3.7!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 179:sc= -0.306 (180deg=-0.317) USER MOD Single : A 39 HIS : no HE2:sc= -0.608! C(o=-0.61!,f=-7!) USER MOD Single : A 49 GLN : amide:sc= -0.935 K(o=-0.93,f=-1.9!) USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.773 USER MOD Single : A 57 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.4!) USER MOD Single : A 63 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-3.1!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot -45:sc= 0.924 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0837 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -0.55 K(o=-0.55,f=-4.7!) USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot 47:sc= 0.969 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.177 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 0.493 4.398 16.849 1.00 0.00 N ATOM 2 CA ASP A 1 -0.265 3.114 16.799 1.00 0.00 C ATOM 3 C ASP A 1 -1.764 3.378 16.962 1.00 0.00 C ATOM 4 O ASP A 1 -2.201 3.927 17.956 1.00 0.00 O ATOM 5 CB ASP A 1 0.267 2.295 17.975 1.00 0.00 C ATOM 6 CG ASP A 1 1.398 1.384 17.494 1.00 0.00 C ATOM 7 OD1 ASP A 1 1.103 0.274 17.082 1.00 0.00 O ATOM 8 OD2 ASP A 1 2.539 1.812 17.547 1.00 0.00 O ATOM 0 H1 ASP A 1 1.509 4.206 16.737 1.00 0.00 H new ATOM 0 H2 ASP A 1 0.172 5.021 16.081 1.00 0.00 H new ATOM 0 H3 ASP A 1 0.327 4.864 17.764 1.00 0.00 H new ATOM 0 HA ASP A 1 -0.136 2.595 15.849 1.00 0.00 H new ATOM 0 HB2 ASP A 1 0.630 2.959 18.760 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -0.535 1.698 18.408 1.00 0.00 H new ATOM 13 N LYS A 2 -2.556 2.954 16.009 1.00 0.00 N ATOM 14 CA LYS A 2 -4.034 3.136 16.119 1.00 0.00 C ATOM 15 C LYS A 2 -4.754 2.234 15.114 1.00 0.00 C ATOM 16 O LYS A 2 -5.670 2.654 14.435 1.00 0.00 O ATOM 17 CB LYS A 2 -4.277 4.610 15.788 1.00 0.00 C ATOM 18 CG LYS A 2 -5.446 5.135 16.622 1.00 0.00 C ATOM 19 CD LYS A 2 -4.944 5.532 18.012 1.00 0.00 C ATOM 20 CE LYS A 2 -5.960 6.464 18.675 1.00 0.00 C ATOM 21 NZ LYS A 2 -5.520 6.563 20.095 1.00 0.00 N ATOM 0 H LYS A 2 -2.241 2.489 15.158 1.00 0.00 H new ATOM 0 HA LYS A 2 -4.410 2.873 17.108 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.379 5.193 15.994 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.494 4.724 14.726 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.901 5.994 16.129 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.218 4.370 16.707 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.797 4.643 18.625 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.977 6.028 17.933 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.970 7.443 18.195 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.971 6.063 18.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -6.168 7.187 20.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.527 5.617 20.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.557 6.954 20.134 1.00 0.00 H new ATOM 35 N ASP A 3 -4.368 0.980 15.044 1.00 0.00 N ATOM 36 CA ASP A 3 -5.049 0.016 14.116 1.00 0.00 C ATOM 37 C ASP A 3 -5.088 0.570 12.686 1.00 0.00 C ATOM 38 O ASP A 3 -4.580 1.641 12.414 1.00 0.00 O ATOM 39 CB ASP A 3 -6.468 -0.147 14.668 1.00 0.00 C ATOM 40 CG ASP A 3 -6.991 -1.543 14.328 1.00 0.00 C ATOM 41 OD1 ASP A 3 -6.575 -2.486 14.982 1.00 0.00 O ATOM 42 OD2 ASP A 3 -7.800 -1.647 13.420 1.00 0.00 O ATOM 0 H ASP A 3 -3.607 0.580 15.593 1.00 0.00 H new ATOM 0 HA ASP A 3 -4.520 -0.936 14.067 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -6.468 -0.000 15.748 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -7.124 0.612 14.243 1.00 0.00 H new ATOM 47 N VAL A 4 -5.722 -0.136 11.786 1.00 0.00 N ATOM 48 CA VAL A 4 -5.839 0.360 10.382 1.00 0.00 C ATOM 49 C VAL A 4 -7.007 1.347 10.266 1.00 0.00 C ATOM 50 O VAL A 4 -8.083 1.112 10.783 1.00 0.00 O ATOM 51 CB VAL A 4 -6.097 -0.899 9.537 1.00 0.00 C ATOM 52 CG1 VAL A 4 -6.401 -0.516 8.078 1.00 0.00 C ATOM 53 CG2 VAL A 4 -4.855 -1.795 9.580 1.00 0.00 C ATOM 0 H VAL A 4 -6.165 -1.037 11.963 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.947 0.892 10.052 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.957 -1.430 9.945 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.581 -1.419 7.495 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.286 0.119 8.045 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.552 0.023 7.659 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.031 -2.690 8.983 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -4.000 -1.252 9.177 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.649 -2.082 10.611 1.00 0.00 H new ATOM 63 N LYS A 5 -6.827 2.391 9.499 1.00 0.00 N ATOM 64 CA LYS A 5 -7.949 3.335 9.232 1.00 0.00 C ATOM 65 C LYS A 5 -8.534 3.052 7.846 1.00 0.00 C ATOM 66 O LYS A 5 -7.811 2.775 6.907 1.00 0.00 O ATOM 67 CB LYS A 5 -7.320 4.728 9.277 1.00 0.00 C ATOM 68 CG LYS A 5 -7.514 5.330 10.671 1.00 0.00 C ATOM 69 CD LYS A 5 -8.778 6.190 10.685 1.00 0.00 C ATOM 70 CE LYS A 5 -8.736 7.143 11.882 1.00 0.00 C ATOM 71 NZ LYS A 5 -9.860 8.093 11.657 1.00 0.00 N ATOM 0 H LYS A 5 -5.946 2.630 9.044 1.00 0.00 H new ATOM 0 HA LYS A 5 -8.760 3.239 9.954 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -6.258 4.667 9.040 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.778 5.370 8.525 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -7.594 4.536 11.414 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -6.648 5.934 10.942 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -8.854 6.758 9.758 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.662 5.555 10.744 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -8.857 6.603 12.821 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -7.782 7.667 11.937 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -9.896 8.779 12.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -9.714 8.597 10.759 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -10.756 7.567 11.616 1.00 0.00 H new ATOM 85 N TYR A 6 -9.833 3.129 7.708 1.00 0.00 N ATOM 86 CA TYR A 6 -10.462 2.874 6.378 1.00 0.00 C ATOM 87 C TYR A 6 -10.337 4.111 5.487 1.00 0.00 C ATOM 88 O TYR A 6 -11.291 4.836 5.276 1.00 0.00 O ATOM 89 CB TYR A 6 -11.929 2.567 6.680 1.00 0.00 C ATOM 90 CG TYR A 6 -12.092 1.082 6.895 1.00 0.00 C ATOM 91 CD1 TYR A 6 -11.769 0.187 5.866 1.00 0.00 C ATOM 92 CD2 TYR A 6 -12.562 0.598 8.121 1.00 0.00 C ATOM 93 CE1 TYR A 6 -11.916 -1.190 6.064 1.00 0.00 C ATOM 94 CE2 TYR A 6 -12.710 -0.781 8.319 1.00 0.00 C ATOM 95 CZ TYR A 6 -12.387 -1.674 7.290 1.00 0.00 C ATOM 96 OH TYR A 6 -12.532 -3.033 7.486 1.00 0.00 O ATOM 0 H TYR A 6 -10.485 3.357 8.459 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.981 2.054 5.845 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.252 3.112 7.567 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.559 2.898 5.855 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.406 0.561 4.920 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -12.811 1.287 8.914 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.666 -1.879 5.271 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.073 -1.155 9.265 1.00 0.00 H new ATOM 0 HH TYR A 6 -12.868 -3.199 8.391 1.00 0.00 H new ATOM 106 N TYR A 7 -9.176 4.323 4.921 1.00 0.00 N ATOM 107 CA TYR A 7 -8.988 5.476 3.989 1.00 0.00 C ATOM 108 C TYR A 7 -9.910 5.320 2.776 1.00 0.00 C ATOM 109 O TYR A 7 -10.842 4.538 2.795 1.00 0.00 O ATOM 110 CB TYR A 7 -7.517 5.416 3.562 1.00 0.00 C ATOM 111 CG TYR A 7 -6.627 5.565 4.775 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.789 6.658 5.636 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.637 4.610 5.039 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.964 6.796 6.758 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.811 4.749 6.161 1.00 0.00 C ATOM 116 CZ TYR A 7 -4.975 5.841 7.020 1.00 0.00 C ATOM 117 OH TYR A 7 -4.161 5.978 8.126 1.00 0.00 O ATOM 0 H TYR A 7 -8.348 3.745 5.065 1.00 0.00 H new ATOM 0 HA TYR A 7 -9.230 6.430 4.456 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.312 4.469 3.063 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.304 6.208 2.844 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -7.552 7.395 5.434 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.511 3.766 4.377 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -6.090 7.639 7.421 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.047 4.013 6.363 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.876 5.092 8.434 1.00 0.00 H new ATOM 127 N THR A 8 -9.641 6.038 1.714 1.00 0.00 N ATOM 128 CA THR A 8 -10.484 5.907 0.487 1.00 0.00 C ATOM 129 C THR A 8 -9.606 5.860 -0.765 1.00 0.00 C ATOM 130 O THR A 8 -8.428 6.168 -0.722 1.00 0.00 O ATOM 131 CB THR A 8 -11.363 7.160 0.476 1.00 0.00 C ATOM 132 OG1 THR A 8 -10.537 8.316 0.465 1.00 0.00 O ATOM 133 CG2 THR A 8 -12.251 7.175 1.722 1.00 0.00 C ATOM 0 H THR A 8 -8.875 6.708 1.644 1.00 0.00 H new ATOM 0 HA THR A 8 -11.074 4.991 0.492 1.00 0.00 H new ATOM 0 HB THR A 8 -11.992 7.155 -0.414 1.00 0.00 H new ATOM 0 HG1 THR A 8 -11.098 9.119 0.456 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.876 8.068 1.713 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.885 6.288 1.728 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.625 7.180 2.615 1.00 0.00 H new ATOM 141 N LEU A 9 -10.185 5.518 -1.886 1.00 0.00 N ATOM 142 CA LEU A 9 -9.409 5.496 -3.164 1.00 0.00 C ATOM 143 C LEU A 9 -9.109 6.926 -3.622 1.00 0.00 C ATOM 144 O LEU A 9 -8.072 7.196 -4.198 1.00 0.00 O ATOM 145 CB LEU A 9 -10.324 4.788 -4.170 1.00 0.00 C ATOM 146 CG LEU A 9 -9.507 3.812 -5.022 1.00 0.00 C ATOM 147 CD1 LEU A 9 -8.906 2.721 -4.130 1.00 0.00 C ATOM 148 CD2 LEU A 9 -10.424 3.163 -6.062 1.00 0.00 C ATOM 0 H LEU A 9 -11.166 5.252 -1.973 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.450 4.989 -3.059 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -11.112 4.251 -3.642 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.812 5.523 -4.810 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.703 4.354 -5.521 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.326 2.030 -4.741 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.256 3.178 -3.384 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.708 2.178 -3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.848 2.467 -6.672 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.225 2.624 -5.555 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.853 3.935 -6.701 1.00 0.00 H new ATOM 160 N GLU A 10 -9.991 7.847 -3.329 1.00 0.00 N ATOM 161 CA GLU A 10 -9.744 9.274 -3.701 1.00 0.00 C ATOM 162 C GLU A 10 -8.565 9.836 -2.901 1.00 0.00 C ATOM 163 O GLU A 10 -7.869 10.726 -3.353 1.00 0.00 O ATOM 164 CB GLU A 10 -11.034 10.015 -3.343 1.00 0.00 C ATOM 165 CG GLU A 10 -12.142 9.614 -4.321 1.00 0.00 C ATOM 166 CD GLU A 10 -13.118 10.780 -4.491 1.00 0.00 C ATOM 167 OE1 GLU A 10 -12.857 11.629 -5.327 1.00 0.00 O ATOM 168 OE2 GLU A 10 -14.111 10.803 -3.782 1.00 0.00 O ATOM 0 H GLU A 10 -10.873 7.673 -2.847 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.494 9.382 -4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.332 9.776 -2.322 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.871 11.092 -3.384 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.711 9.343 -5.285 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.669 8.735 -3.950 1.00 0.00 H new ATOM 175 N GLU A 11 -8.320 9.303 -1.731 1.00 0.00 N ATOM 176 CA GLU A 11 -7.163 9.779 -0.911 1.00 0.00 C ATOM 177 C GLU A 11 -5.860 9.151 -1.411 1.00 0.00 C ATOM 178 O GLU A 11 -4.799 9.737 -1.306 1.00 0.00 O ATOM 179 CB GLU A 11 -7.470 9.317 0.514 1.00 0.00 C ATOM 180 CG GLU A 11 -6.623 10.119 1.505 1.00 0.00 C ATOM 181 CD GLU A 11 -7.327 10.159 2.863 1.00 0.00 C ATOM 182 OE1 GLU A 11 -7.134 9.236 3.635 1.00 0.00 O ATOM 183 OE2 GLU A 11 -8.047 11.114 3.105 1.00 0.00 O ATOM 0 H GLU A 11 -8.872 8.557 -1.307 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.034 10.860 -0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.529 9.453 0.731 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.258 8.253 0.616 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -5.637 9.665 1.608 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -6.470 11.132 1.133 1.00 0.00 H new ATOM 190 N ILE A 12 -5.937 7.972 -1.975 1.00 0.00 N ATOM 191 CA ILE A 12 -4.709 7.308 -2.513 1.00 0.00 C ATOM 192 C ILE A 12 -4.467 7.734 -3.968 1.00 0.00 C ATOM 193 O ILE A 12 -3.357 7.665 -4.462 1.00 0.00 O ATOM 194 CB ILE A 12 -4.997 5.803 -2.429 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.279 5.407 -0.971 1.00 0.00 C ATOM 196 CG2 ILE A 12 -3.787 5.010 -2.937 1.00 0.00 C ATOM 197 CD1 ILE A 12 -6.382 4.348 -0.932 1.00 0.00 C ATOM 0 H ILE A 12 -6.799 7.439 -2.087 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.815 7.581 -1.952 1.00 0.00 H new ATOM 0 HB ILE A 12 -5.867 5.577 -3.046 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.372 5.020 -0.507 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.581 6.283 -0.397 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -3.999 3.943 -2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.585 5.279 -3.974 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -2.916 5.243 -2.325 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.581 4.068 0.102 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.290 4.752 -1.380 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.062 3.469 -1.491 1.00 0.00 H new ATOM 209 N GLN A 13 -5.493 8.179 -4.655 1.00 0.00 N ATOM 210 CA GLN A 13 -5.319 8.613 -6.076 1.00 0.00 C ATOM 211 C GLN A 13 -4.983 10.109 -6.163 1.00 0.00 C ATOM 212 O GLN A 13 -5.132 10.718 -7.206 1.00 0.00 O ATOM 213 CB GLN A 13 -6.668 8.330 -6.741 1.00 0.00 C ATOM 214 CG GLN A 13 -6.966 6.830 -6.681 1.00 0.00 C ATOM 215 CD GLN A 13 -6.507 6.161 -7.979 1.00 0.00 C ATOM 216 OE1 GLN A 13 -5.648 6.672 -8.670 1.00 0.00 O ATOM 217 NE2 GLN A 13 -7.048 5.030 -8.340 1.00 0.00 N ATOM 0 H GLN A 13 -6.443 8.260 -4.292 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.497 8.086 -6.560 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.457 8.888 -6.237 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.651 8.666 -7.778 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.455 6.382 -5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -8.034 6.667 -6.534 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.769 4.601 -7.760 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.750 4.574 -9.203 1.00 0.00 H new ATOM 226 N LYS A 14 -4.478 10.691 -5.102 1.00 0.00 N ATOM 227 CA LYS A 14 -4.073 12.129 -5.155 1.00 0.00 C ATOM 228 C LYS A 14 -2.824 12.363 -4.296 1.00 0.00 C ATOM 229 O LYS A 14 -2.779 13.270 -3.487 1.00 0.00 O ATOM 230 CB LYS A 14 -5.271 12.909 -4.600 1.00 0.00 C ATOM 231 CG LYS A 14 -5.577 12.456 -3.169 1.00 0.00 C ATOM 232 CD LYS A 14 -6.832 13.172 -2.665 1.00 0.00 C ATOM 233 CE LYS A 14 -6.428 14.438 -1.906 1.00 0.00 C ATOM 234 NZ LYS A 14 -7.682 15.234 -1.793 1.00 0.00 N ATOM 0 H LYS A 14 -4.329 10.232 -4.203 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.822 12.447 -6.167 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.057 13.978 -4.613 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.143 12.751 -5.234 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -5.725 11.377 -3.142 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -4.732 12.678 -2.517 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -7.478 13.429 -3.504 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -7.403 12.511 -2.013 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.023 14.197 -0.923 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.656 14.991 -2.442 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.487 16.119 -1.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.040 15.454 -2.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -8.396 14.685 -1.272 1.00 0.00 H new ATOM 248 N HIS A 15 -1.801 11.571 -4.497 1.00 0.00 N ATOM 249 CA HIS A 15 -0.535 11.765 -3.729 1.00 0.00 C ATOM 250 C HIS A 15 0.636 11.988 -4.689 1.00 0.00 C ATOM 251 O HIS A 15 0.825 11.244 -5.633 1.00 0.00 O ATOM 252 CB HIS A 15 -0.346 10.468 -2.942 1.00 0.00 C ATOM 253 CG HIS A 15 -1.037 10.583 -1.611 1.00 0.00 C ATOM 254 ND1 HIS A 15 -0.384 10.329 -0.415 1.00 0.00 N ATOM 255 CD2 HIS A 15 -2.322 10.923 -1.272 1.00 0.00 C ATOM 256 CE1 HIS A 15 -1.269 10.518 0.579 1.00 0.00 C ATOM 257 NE2 HIS A 15 -2.467 10.882 0.112 1.00 0.00 N ATOM 0 H HIS A 15 -1.789 10.797 -5.161 1.00 0.00 H new ATOM 0 HA HIS A 15 -0.578 12.635 -3.074 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.753 9.627 -3.503 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.716 10.270 -2.796 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -3.102 11.183 -1.972 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -1.040 10.391 1.627 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.307 11.086 0.653 1.00 0.00 H new ATOM 266 N LYS A 16 1.446 12.983 -4.429 1.00 0.00 N ATOM 267 CA LYS A 16 2.636 13.235 -5.296 1.00 0.00 C ATOM 268 C LYS A 16 3.780 12.293 -4.908 1.00 0.00 C ATOM 269 O LYS A 16 3.599 11.369 -4.138 1.00 0.00 O ATOM 270 CB LYS A 16 3.022 14.689 -5.027 1.00 0.00 C ATOM 271 CG LYS A 16 2.376 15.592 -6.079 1.00 0.00 C ATOM 272 CD LYS A 16 2.116 16.975 -5.476 1.00 0.00 C ATOM 273 CE LYS A 16 1.513 17.892 -6.541 1.00 0.00 C ATOM 274 NZ LYS A 16 1.489 19.243 -5.917 1.00 0.00 N ATOM 0 H LYS A 16 1.334 13.633 -3.651 1.00 0.00 H new ATOM 0 HA LYS A 16 2.424 13.060 -6.351 1.00 0.00 H new ATOM 0 HB2 LYS A 16 2.696 14.984 -4.030 1.00 0.00 H new ATOM 0 HB3 LYS A 16 4.106 14.799 -5.054 1.00 0.00 H new ATOM 0 HG2 LYS A 16 3.028 15.679 -6.948 1.00 0.00 H new ATOM 0 HG3 LYS A 16 1.440 15.153 -6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 16 1.438 16.891 -4.627 1.00 0.00 H new ATOM 0 HD3 LYS A 16 3.047 17.400 -5.100 1.00 0.00 H new ATOM 0 HE2 LYS A 16 2.113 17.888 -7.451 1.00 0.00 H new ATOM 0 HE3 LYS A 16 0.510 17.568 -6.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 1.087 19.928 -6.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 0.905 19.218 -5.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 2.458 19.528 -5.669 1.00 0.00 H new ATOM 288 N ASP A 17 4.963 12.550 -5.406 1.00 0.00 N ATOM 289 CA ASP A 17 6.137 11.702 -5.036 1.00 0.00 C ATOM 290 C ASP A 17 6.683 12.122 -3.669 1.00 0.00 C ATOM 291 O ASP A 17 6.521 11.425 -2.686 1.00 0.00 O ATOM 292 CB ASP A 17 7.174 11.960 -6.129 1.00 0.00 C ATOM 293 CG ASP A 17 7.033 10.903 -7.227 1.00 0.00 C ATOM 294 OD1 ASP A 17 7.658 9.862 -7.104 1.00 0.00 O ATOM 295 OD2 ASP A 17 6.302 11.153 -8.172 1.00 0.00 O ATOM 0 H ASP A 17 5.167 13.311 -6.054 1.00 0.00 H new ATOM 0 HA ASP A 17 5.876 10.646 -4.963 1.00 0.00 H new ATOM 0 HB2 ASP A 17 7.035 12.956 -6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 17 8.178 11.929 -5.707 1.00 0.00 H new ATOM 300 N SER A 18 7.296 13.280 -3.593 1.00 0.00 N ATOM 301 CA SER A 18 7.822 13.790 -2.282 1.00 0.00 C ATOM 302 C SER A 18 8.721 12.743 -1.613 1.00 0.00 C ATOM 303 O SER A 18 9.202 11.826 -2.253 1.00 0.00 O ATOM 304 CB SER A 18 6.583 14.061 -1.424 1.00 0.00 C ATOM 305 OG SER A 18 5.635 14.794 -2.188 1.00 0.00 O ATOM 0 H SER A 18 7.456 13.899 -4.388 1.00 0.00 H new ATOM 0 HA SER A 18 8.429 14.686 -2.413 1.00 0.00 H new ATOM 0 HB2 SER A 18 6.147 13.121 -1.087 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.860 14.622 -0.531 1.00 0.00 H new ATOM 0 HG SER A 18 4.840 14.968 -1.643 1.00 0.00 H new ATOM 311 N LYS A 19 8.918 12.855 -0.324 1.00 0.00 N ATOM 312 CA LYS A 19 9.747 11.848 0.404 1.00 0.00 C ATOM 313 C LYS A 19 8.880 10.664 0.840 1.00 0.00 C ATOM 314 O LYS A 19 9.347 9.543 0.930 1.00 0.00 O ATOM 315 CB LYS A 19 10.291 12.592 1.624 1.00 0.00 C ATOM 316 CG LYS A 19 11.649 12.006 2.016 1.00 0.00 C ATOM 317 CD LYS A 19 12.764 12.794 1.323 1.00 0.00 C ATOM 318 CE LYS A 19 13.975 11.884 1.108 1.00 0.00 C ATOM 319 NZ LYS A 19 13.824 11.363 -0.278 1.00 0.00 N ATOM 0 H LYS A 19 8.539 13.603 0.257 1.00 0.00 H new ATOM 0 HA LYS A 19 10.546 11.444 -0.217 1.00 0.00 H new ATOM 0 HB2 LYS A 19 10.392 13.654 1.400 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.592 12.507 2.456 1.00 0.00 H new ATOM 0 HG2 LYS A 19 11.777 12.049 3.098 1.00 0.00 H new ATOM 0 HG3 LYS A 19 11.700 10.955 1.730 1.00 0.00 H new ATOM 0 HD2 LYS A 19 12.411 13.179 0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 19 13.046 13.655 1.929 1.00 0.00 H new ATOM 0 HE2 LYS A 19 14.908 12.435 1.223 1.00 0.00 H new ATOM 0 HE3 LYS A 19 13.993 11.072 1.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 14.619 10.730 -0.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 12.930 10.837 -0.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 13.817 12.158 -0.949 1.00 0.00 H new ATOM 333 N SER A 20 7.614 10.900 1.075 1.00 0.00 N ATOM 334 CA SER A 20 6.698 9.785 1.464 1.00 0.00 C ATOM 335 C SER A 20 6.013 9.206 0.223 1.00 0.00 C ATOM 336 O SER A 20 6.115 9.749 -0.862 1.00 0.00 O ATOM 337 CB SER A 20 5.669 10.426 2.393 1.00 0.00 C ATOM 338 OG SER A 20 4.921 11.394 1.670 1.00 0.00 O ATOM 0 H SER A 20 7.175 11.818 1.014 1.00 0.00 H new ATOM 0 HA SER A 20 7.228 8.964 1.946 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.003 9.664 2.798 1.00 0.00 H new ATOM 0 HB3 SER A 20 6.169 10.895 3.240 1.00 0.00 H new ATOM 0 HG SER A 20 4.259 11.806 2.263 1.00 0.00 H new ATOM 344 N THR A 21 5.285 8.131 0.385 1.00 0.00 N ATOM 345 CA THR A 21 4.552 7.535 -0.772 1.00 0.00 C ATOM 346 C THR A 21 3.455 6.585 -0.283 1.00 0.00 C ATOM 347 O THR A 21 3.685 5.743 0.566 1.00 0.00 O ATOM 348 CB THR A 21 5.611 6.768 -1.574 1.00 0.00 C ATOM 349 OG1 THR A 21 4.991 6.132 -2.683 1.00 0.00 O ATOM 350 CG2 THR A 21 6.279 5.711 -0.688 1.00 0.00 C ATOM 0 H THR A 21 5.166 7.639 1.271 1.00 0.00 H new ATOM 0 HA THR A 21 4.061 8.298 -1.376 1.00 0.00 H new ATOM 0 HB THR A 21 6.369 7.468 -1.926 1.00 0.00 H new ATOM 0 HG1 THR A 21 5.666 5.642 -3.198 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.029 5.172 -1.267 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.757 6.198 0.162 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.526 5.010 -0.328 1.00 0.00 H new ATOM 358 N TRP A 22 2.287 6.674 -0.864 1.00 0.00 N ATOM 359 CA TRP A 22 1.186 5.733 -0.502 1.00 0.00 C ATOM 360 C TRP A 22 1.174 4.547 -1.471 1.00 0.00 C ATOM 361 O TRP A 22 0.350 4.470 -2.364 1.00 0.00 O ATOM 362 CB TRP A 22 -0.098 6.558 -0.639 1.00 0.00 C ATOM 363 CG TRP A 22 -0.424 7.225 0.666 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.476 7.793 1.505 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.730 7.407 1.288 1.00 0.00 C ATOM 366 NE1 TRP A 22 -0.195 8.303 2.602 1.00 0.00 N ATOM 367 CE2 TRP A 22 -1.555 8.092 2.513 1.00 0.00 C ATOM 368 CE3 TRP A 22 -3.035 7.046 0.910 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -2.637 8.407 3.335 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -4.128 7.361 1.735 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.928 8.040 2.945 1.00 0.00 C ATOM 0 H TRP A 22 2.047 7.362 -1.578 1.00 0.00 H new ATOM 0 HA TRP A 22 1.299 5.323 0.502 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.024 7.309 -1.420 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.923 5.914 -0.943 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.543 7.840 1.344 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.261 8.777 3.382 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -3.199 6.523 -0.021 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -2.478 8.931 4.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -5.127 7.079 1.436 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -4.771 8.279 3.576 1.00 0.00 H new ATOM 382 N VAL A 23 2.075 3.616 -1.287 1.00 0.00 N ATOM 383 CA VAL A 23 2.118 2.416 -2.180 1.00 0.00 C ATOM 384 C VAL A 23 1.046 1.408 -1.750 1.00 0.00 C ATOM 385 O VAL A 23 1.072 0.898 -0.646 1.00 0.00 O ATOM 386 CB VAL A 23 3.521 1.826 -1.993 1.00 0.00 C ATOM 387 CG1 VAL A 23 3.693 0.607 -2.901 1.00 0.00 C ATOM 388 CG2 VAL A 23 4.578 2.874 -2.357 1.00 0.00 C ATOM 0 H VAL A 23 2.785 3.634 -0.555 1.00 0.00 H new ATOM 0 HA VAL A 23 1.923 2.667 -3.223 1.00 0.00 H new ATOM 0 HB VAL A 23 3.644 1.529 -0.952 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.691 0.190 -2.766 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.948 -0.146 -2.645 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.563 0.907 -3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.573 2.449 -2.222 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.449 3.174 -3.397 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.465 3.745 -1.711 1.00 0.00 H new ATOM 398 N ILE A 24 0.101 1.130 -2.609 1.00 0.00 N ATOM 399 CA ILE A 24 -0.984 0.165 -2.248 1.00 0.00 C ATOM 400 C ILE A 24 -0.490 -1.276 -2.390 1.00 0.00 C ATOM 401 O ILE A 24 0.124 -1.639 -3.376 1.00 0.00 O ATOM 402 CB ILE A 24 -2.123 0.439 -3.239 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.533 1.923 -3.190 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.328 -0.433 -2.879 1.00 0.00 C ATOM 405 CD1 ILE A 24 -2.952 2.316 -1.767 1.00 0.00 C ATOM 0 H ILE A 24 0.032 1.528 -3.545 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.307 0.290 -1.214 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.780 0.202 -4.246 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -1.701 2.547 -3.517 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -3.357 2.102 -3.881 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.139 -0.241 -3.581 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.045 -1.484 -2.931 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.660 -0.196 -1.868 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -3.239 3.367 -1.749 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -3.798 1.704 -1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.117 2.156 -1.085 1.00 0.00 H new ATOM 417 N LEU A 25 -0.812 -2.110 -1.437 1.00 0.00 N ATOM 418 CA LEU A 25 -0.432 -3.552 -1.528 1.00 0.00 C ATOM 419 C LEU A 25 -1.636 -4.426 -1.167 1.00 0.00 C ATOM 420 O LEU A 25 -1.784 -4.859 -0.042 1.00 0.00 O ATOM 421 CB LEU A 25 0.693 -3.734 -0.503 1.00 0.00 C ATOM 422 CG LEU A 25 1.749 -4.718 -1.032 1.00 0.00 C ATOM 423 CD1 LEU A 25 1.100 -6.079 -1.315 1.00 0.00 C ATOM 424 CD2 LEU A 25 2.384 -4.165 -2.318 1.00 0.00 C ATOM 0 H LEU A 25 -1.325 -1.853 -0.594 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.113 -3.838 -2.530 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.158 -2.772 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 25 0.281 -4.103 0.436 1.00 0.00 H new ATOM 0 HG LEU A 25 2.526 -4.844 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.854 -6.771 -1.690 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.669 -6.475 -0.395 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.315 -5.959 -2.061 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.131 -4.868 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.612 -4.027 -3.075 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.860 -3.208 -2.106 1.00 0.00 H new ATOM 436 N HIS A 26 -2.493 -4.695 -2.122 1.00 0.00 N ATOM 437 CA HIS A 26 -3.695 -5.553 -1.861 1.00 0.00 C ATOM 438 C HIS A 26 -4.514 -4.999 -0.686 1.00 0.00 C ATOM 439 O HIS A 26 -4.374 -5.433 0.441 1.00 0.00 O ATOM 440 CB HIS A 26 -3.150 -6.947 -1.531 1.00 0.00 C ATOM 441 CG HIS A 26 -2.753 -7.642 -2.803 1.00 0.00 C ATOM 442 ND1 HIS A 26 -3.447 -8.734 -3.298 1.00 0.00 N ATOM 443 CD2 HIS A 26 -1.734 -7.411 -3.694 1.00 0.00 C ATOM 444 CE1 HIS A 26 -2.846 -9.117 -4.438 1.00 0.00 C ATOM 445 NE2 HIS A 26 -1.795 -8.344 -4.726 1.00 0.00 N ATOM 0 H HIS A 26 -2.412 -4.354 -3.080 1.00 0.00 H new ATOM 0 HA HIS A 26 -4.362 -5.578 -2.723 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -2.291 -6.865 -0.865 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -3.906 -7.530 -1.006 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -4.266 -9.169 -2.874 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -0.998 -6.626 -3.608 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -3.173 -9.947 -5.046 1.00 0.00 H new ATOM 453 N HIS A 27 -5.425 -4.097 -0.965 1.00 0.00 N ATOM 454 CA HIS A 27 -6.336 -3.561 0.101 1.00 0.00 C ATOM 455 C HIS A 27 -5.538 -3.015 1.292 1.00 0.00 C ATOM 456 O HIS A 27 -6.047 -2.923 2.392 1.00 0.00 O ATOM 457 CB HIS A 27 -7.200 -4.751 0.533 1.00 0.00 C ATOM 458 CG HIS A 27 -8.252 -4.286 1.503 1.00 0.00 C ATOM 459 ND1 HIS A 27 -8.561 -4.995 2.653 1.00 0.00 N ATOM 460 CD2 HIS A 27 -9.073 -3.187 1.508 1.00 0.00 C ATOM 461 CE1 HIS A 27 -9.532 -4.321 3.296 1.00 0.00 C ATOM 462 NE2 HIS A 27 -9.881 -3.211 2.641 1.00 0.00 N ATOM 0 H HIS A 27 -5.579 -3.705 -1.894 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.937 -2.731 -0.271 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.670 -5.207 -0.338 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.577 -5.516 0.996 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -9.090 -2.420 0.748 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -9.975 -4.639 4.228 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.588 -2.528 2.913 1.00 0.00 H new ATOM 470 N LYS A 28 -4.322 -2.579 1.065 1.00 0.00 N ATOM 471 CA LYS A 28 -3.529 -1.956 2.171 1.00 0.00 C ATOM 472 C LYS A 28 -2.827 -0.687 1.676 1.00 0.00 C ATOM 473 O LYS A 28 -2.327 -0.639 0.568 1.00 0.00 O ATOM 474 CB LYS A 28 -2.499 -3.012 2.574 1.00 0.00 C ATOM 475 CG LYS A 28 -3.158 -4.048 3.489 1.00 0.00 C ATOM 476 CD LYS A 28 -2.560 -5.429 3.212 1.00 0.00 C ATOM 477 CE LYS A 28 -2.559 -6.253 4.501 1.00 0.00 C ATOM 478 NZ LYS A 28 -1.458 -7.240 4.325 1.00 0.00 N ATOM 0 H LYS A 28 -3.846 -2.627 0.164 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.161 -1.663 3.009 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -2.096 -3.500 1.686 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.661 -2.540 3.086 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.004 -3.776 4.533 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.235 -4.066 3.320 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -3.138 -5.940 2.442 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.543 -5.327 2.832 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -2.388 -5.622 5.373 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.516 -6.752 4.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -1.394 -7.843 5.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -1.652 -7.831 3.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -0.558 -6.736 4.191 1.00 0.00 H new ATOM 492 N VAL A 29 -2.756 0.325 2.504 1.00 0.00 N ATOM 493 CA VAL A 29 -2.047 1.579 2.106 1.00 0.00 C ATOM 494 C VAL A 29 -0.723 1.686 2.868 1.00 0.00 C ATOM 495 O VAL A 29 -0.690 1.599 4.080 1.00 0.00 O ATOM 496 CB VAL A 29 -2.994 2.718 2.504 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.373 4.061 2.112 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.341 2.552 1.786 1.00 0.00 C ATOM 0 H VAL A 29 -3.160 0.336 3.441 1.00 0.00 H new ATOM 0 HA VAL A 29 -1.811 1.607 1.042 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.154 2.689 3.582 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.047 4.870 2.395 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.420 4.185 2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.209 4.086 1.035 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.009 3.364 2.073 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.184 2.575 0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.788 1.598 2.067 1.00 0.00 H new ATOM 508 N TYR A 30 0.369 1.858 2.164 1.00 0.00 N ATOM 509 CA TYR A 30 1.694 1.953 2.849 1.00 0.00 C ATOM 510 C TYR A 30 2.236 3.382 2.805 1.00 0.00 C ATOM 511 O TYR A 30 2.462 3.929 1.743 1.00 0.00 O ATOM 512 CB TYR A 30 2.625 1.035 2.055 1.00 0.00 C ATOM 513 CG TYR A 30 2.282 -0.406 2.326 1.00 0.00 C ATOM 514 CD1 TYR A 30 1.076 -0.940 1.862 1.00 0.00 C ATOM 515 CD2 TYR A 30 3.176 -1.212 3.039 1.00 0.00 C ATOM 516 CE1 TYR A 30 0.762 -2.279 2.112 1.00 0.00 C ATOM 517 CE2 TYR A 30 2.863 -2.552 3.290 1.00 0.00 C ATOM 518 CZ TYR A 30 1.656 -3.087 2.826 1.00 0.00 C ATOM 519 OH TYR A 30 1.347 -4.408 3.074 1.00 0.00 O ATOM 0 H TYR A 30 0.400 1.936 1.147 1.00 0.00 H new ATOM 0 HA TYR A 30 1.614 1.670 3.899 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.534 1.245 0.989 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.662 1.229 2.330 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.387 -0.318 1.310 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.108 -0.799 3.396 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.170 -2.691 1.754 1.00 0.00 H new ATOM 0 HE2 TYR A 30 3.553 -3.174 3.842 1.00 0.00 H new ATOM 0 HH TYR A 30 2.075 -4.825 3.580 1.00 0.00 H new ATOM 529 N ASP A 31 2.637 3.896 3.937 1.00 0.00 N ATOM 530 CA ASP A 31 3.392 5.183 3.950 1.00 0.00 C ATOM 531 C ASP A 31 4.870 4.868 4.170 1.00 0.00 C ATOM 532 O ASP A 31 5.346 4.833 5.289 1.00 0.00 O ATOM 533 CB ASP A 31 2.824 5.979 5.125 1.00 0.00 C ATOM 534 CG ASP A 31 3.522 7.338 5.206 1.00 0.00 C ATOM 535 OD1 ASP A 31 3.175 8.208 4.425 1.00 0.00 O ATOM 536 OD2 ASP A 31 4.392 7.486 6.050 1.00 0.00 O ATOM 0 H ASP A 31 2.474 3.480 4.854 1.00 0.00 H new ATOM 0 HA ASP A 31 3.299 5.746 3.021 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.750 6.117 4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.968 5.428 6.055 1.00 0.00 H new ATOM 541 N LEU A 32 5.567 4.527 3.117 1.00 0.00 N ATOM 542 CA LEU A 32 6.987 4.077 3.267 1.00 0.00 C ATOM 543 C LEU A 32 7.947 5.263 3.130 1.00 0.00 C ATOM 544 O LEU A 32 9.003 5.147 2.537 1.00 0.00 O ATOM 545 CB LEU A 32 7.223 3.061 2.133 1.00 0.00 C ATOM 546 CG LEU A 32 6.100 2.001 2.109 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.378 2.045 0.759 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.688 0.602 2.317 1.00 0.00 C ATOM 0 H LEU A 32 5.216 4.540 2.159 1.00 0.00 H new ATOM 0 HA LEU A 32 7.166 3.637 4.248 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.261 3.580 1.175 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.188 2.573 2.270 1.00 0.00 H new ATOM 0 HG LEU A 32 5.396 2.219 2.912 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.586 1.296 0.745 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.945 3.034 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.089 1.836 -0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.886 -0.136 2.298 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.400 0.385 1.521 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.197 0.561 3.280 1.00 0.00 H new ATOM 560 N THR A 33 7.619 6.379 3.729 1.00 0.00 N ATOM 561 CA THR A 33 8.548 7.553 3.698 1.00 0.00 C ATOM 562 C THR A 33 9.870 7.201 4.391 1.00 0.00 C ATOM 563 O THR A 33 10.908 7.755 4.080 1.00 0.00 O ATOM 564 CB THR A 33 7.820 8.671 4.456 1.00 0.00 C ATOM 565 OG1 THR A 33 8.644 9.827 4.494 1.00 0.00 O ATOM 566 CG2 THR A 33 7.504 8.222 5.887 1.00 0.00 C ATOM 0 H THR A 33 6.748 6.530 4.239 1.00 0.00 H new ATOM 0 HA THR A 33 8.793 7.853 2.679 1.00 0.00 H new ATOM 0 HB THR A 33 6.886 8.899 3.943 1.00 0.00 H new ATOM 0 HG1 THR A 33 8.181 10.543 4.976 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.988 9.024 6.414 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.867 7.338 5.859 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.432 7.985 6.407 1.00 0.00 H new ATOM 574 N LYS A 34 9.840 6.269 5.311 1.00 0.00 N ATOM 575 CA LYS A 34 11.095 5.857 6.009 1.00 0.00 C ATOM 576 C LYS A 34 11.927 4.935 5.113 1.00 0.00 C ATOM 577 O LYS A 34 13.142 4.949 5.159 1.00 0.00 O ATOM 578 CB LYS A 34 10.632 5.113 7.262 1.00 0.00 C ATOM 579 CG LYS A 34 11.553 5.461 8.435 1.00 0.00 C ATOM 580 CD LYS A 34 10.781 5.336 9.753 1.00 0.00 C ATOM 581 CE LYS A 34 11.096 3.987 10.409 1.00 0.00 C ATOM 582 NZ LYS A 34 9.785 3.486 10.908 1.00 0.00 N ATOM 0 H LYS A 34 8.999 5.775 5.609 1.00 0.00 H new ATOM 0 HA LYS A 34 11.725 6.712 6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.604 5.386 7.500 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.643 4.038 7.084 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.415 4.794 8.443 1.00 0.00 H new ATOM 0 HG3 LYS A 34 11.935 6.475 8.321 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.054 6.150 10.424 1.00 0.00 H new ATOM 0 HD3 LYS A 34 9.710 5.420 9.568 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.537 3.293 9.693 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.811 4.102 11.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 9.916 2.557 11.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 9.400 4.155 11.605 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 9.122 3.396 10.112 1.00 0.00 H new ATOM 596 N PHE A 35 11.283 4.157 4.276 1.00 0.00 N ATOM 597 CA PHE A 35 12.041 3.262 3.352 1.00 0.00 C ATOM 598 C PHE A 35 12.340 3.987 2.031 1.00 0.00 C ATOM 599 O PHE A 35 13.427 3.882 1.495 1.00 0.00 O ATOM 600 CB PHE A 35 11.129 2.050 3.115 1.00 0.00 C ATOM 601 CG PHE A 35 11.777 1.121 2.110 1.00 0.00 C ATOM 602 CD1 PHE A 35 12.876 0.337 2.483 1.00 0.00 C ATOM 603 CD2 PHE A 35 11.290 1.065 0.800 1.00 0.00 C ATOM 604 CE1 PHE A 35 13.485 -0.505 1.545 1.00 0.00 C ATOM 605 CE2 PHE A 35 11.899 0.225 -0.139 1.00 0.00 C ATOM 606 CZ PHE A 35 12.996 -0.560 0.233 1.00 0.00 C ATOM 0 H PHE A 35 10.268 4.105 4.194 1.00 0.00 H new ATOM 0 HA PHE A 35 13.002 2.963 3.771 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.954 1.524 4.053 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.157 2.379 2.748 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.253 0.382 3.494 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.443 1.671 0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 35 14.331 -1.112 1.832 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.523 0.183 -1.150 1.00 0.00 H new ATOM 0 HZ PHE A 35 13.466 -1.209 -0.491 1.00 0.00 H new ATOM 616 N LEU A 36 11.378 4.700 1.491 1.00 0.00 N ATOM 617 CA LEU A 36 11.597 5.410 0.186 1.00 0.00 C ATOM 618 C LEU A 36 12.886 6.246 0.228 1.00 0.00 C ATOM 619 O LEU A 36 13.523 6.473 -0.784 1.00 0.00 O ATOM 620 CB LEU A 36 10.384 6.329 0.015 1.00 0.00 C ATOM 621 CG LEU A 36 10.086 6.522 -1.476 1.00 0.00 C ATOM 622 CD1 LEU A 36 8.831 7.382 -1.637 1.00 0.00 C ATOM 623 CD2 LEU A 36 11.268 7.221 -2.155 1.00 0.00 C ATOM 0 H LEU A 36 10.450 4.822 1.897 1.00 0.00 H new ATOM 0 HA LEU A 36 11.701 4.705 -0.638 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.517 5.899 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.578 7.293 0.485 1.00 0.00 H new ATOM 0 HG LEU A 36 9.927 5.548 -1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.618 7.520 -2.697 1.00 0.00 H new ATOM 0 HD12 LEU A 36 7.986 6.886 -1.159 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.993 8.353 -1.170 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.051 7.356 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.431 8.194 -1.691 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.165 6.611 -2.043 1.00 0.00 H new ATOM 635 N GLU A 37 13.289 6.668 1.401 1.00 0.00 N ATOM 636 CA GLU A 37 14.556 7.448 1.531 1.00 0.00 C ATOM 637 C GLU A 37 15.726 6.524 1.898 1.00 0.00 C ATOM 638 O GLU A 37 16.873 6.840 1.645 1.00 0.00 O ATOM 639 CB GLU A 37 14.290 8.447 2.658 1.00 0.00 C ATOM 640 CG GLU A 37 15.499 9.370 2.819 1.00 0.00 C ATOM 641 CD GLU A 37 15.249 10.342 3.974 1.00 0.00 C ATOM 642 OE1 GLU A 37 14.116 10.768 4.129 1.00 0.00 O ATOM 643 OE2 GLU A 37 16.194 10.644 4.683 1.00 0.00 O ATOM 0 H GLU A 37 12.792 6.505 2.277 1.00 0.00 H new ATOM 0 HA GLU A 37 14.829 7.942 0.598 1.00 0.00 H new ATOM 0 HB2 GLU A 37 13.399 9.034 2.435 1.00 0.00 H new ATOM 0 HB3 GLU A 37 14.098 7.916 3.591 1.00 0.00 H new ATOM 0 HG2 GLU A 37 16.396 8.782 3.013 1.00 0.00 H new ATOM 0 HG3 GLU A 37 15.673 9.923 1.896 1.00 0.00 H new ATOM 650 N GLU A 38 15.442 5.374 2.461 1.00 0.00 N ATOM 651 CA GLU A 38 16.536 4.416 2.807 1.00 0.00 C ATOM 652 C GLU A 38 16.978 3.652 1.555 1.00 0.00 C ATOM 653 O GLU A 38 18.154 3.423 1.341 1.00 0.00 O ATOM 654 CB GLU A 38 15.921 3.459 3.829 1.00 0.00 C ATOM 655 CG GLU A 38 17.022 2.898 4.732 1.00 0.00 C ATOM 656 CD GLU A 38 16.395 2.029 5.823 1.00 0.00 C ATOM 657 OE1 GLU A 38 15.826 1.005 5.484 1.00 0.00 O ATOM 658 OE2 GLU A 38 16.495 2.403 6.980 1.00 0.00 O ATOM 0 H GLU A 38 14.501 5.059 2.695 1.00 0.00 H new ATOM 0 HA GLU A 38 17.417 4.920 3.204 1.00 0.00 H new ATOM 0 HB2 GLU A 38 15.175 3.981 4.429 1.00 0.00 H new ATOM 0 HB3 GLU A 38 15.406 2.646 3.317 1.00 0.00 H new ATOM 0 HG2 GLU A 38 17.725 2.309 4.143 1.00 0.00 H new ATOM 0 HG3 GLU A 38 17.588 3.713 5.182 1.00 0.00 H new ATOM 665 N HIS A 39 16.048 3.325 0.695 1.00 0.00 N ATOM 666 CA HIS A 39 16.411 2.654 -0.591 1.00 0.00 C ATOM 667 C HIS A 39 15.641 3.307 -1.753 1.00 0.00 C ATOM 668 O HIS A 39 14.854 2.655 -2.411 1.00 0.00 O ATOM 669 CB HIS A 39 15.987 1.191 -0.415 1.00 0.00 C ATOM 670 CG HIS A 39 16.721 0.581 0.748 1.00 0.00 C ATOM 671 ND1 HIS A 39 16.133 0.432 1.994 1.00 0.00 N ATOM 672 CD2 HIS A 39 17.991 0.075 0.872 1.00 0.00 C ATOM 673 CE1 HIS A 39 17.037 -0.142 2.806 1.00 0.00 C ATOM 674 NE2 HIS A 39 18.190 -0.381 2.172 1.00 0.00 N ATOM 0 H HIS A 39 15.051 3.494 0.827 1.00 0.00 H new ATOM 0 HA HIS A 39 17.473 2.739 -0.820 1.00 0.00 H new ATOM 0 HB2 HIS A 39 14.911 1.133 -0.248 1.00 0.00 H new ATOM 0 HB3 HIS A 39 16.199 0.630 -1.325 1.00 0.00 H new ATOM 0 HD1 HIS A 39 15.185 0.708 2.249 1.00 0.00 H new ATOM 0 HD2 HIS A 39 18.725 0.037 0.081 1.00 0.00 H new ATOM 0 HE1 HIS A 39 16.855 -0.381 3.843 1.00 0.00 H new ATOM 682 N PRO A 40 15.881 4.586 -1.972 1.00 0.00 N ATOM 683 CA PRO A 40 15.179 5.315 -3.066 1.00 0.00 C ATOM 684 C PRO A 40 15.320 4.580 -4.407 1.00 0.00 C ATOM 685 O PRO A 40 14.348 4.104 -4.962 1.00 0.00 O ATOM 686 CB PRO A 40 15.889 6.667 -3.115 1.00 0.00 C ATOM 687 CG PRO A 40 16.467 6.848 -1.751 1.00 0.00 C ATOM 688 CD PRO A 40 16.805 5.472 -1.239 1.00 0.00 C ATOM 0 HA PRO A 40 14.107 5.401 -2.887 1.00 0.00 H new ATOM 0 HB2 PRO A 40 16.667 6.677 -3.878 1.00 0.00 H new ATOM 0 HB3 PRO A 40 15.193 7.470 -3.359 1.00 0.00 H new ATOM 0 HG2 PRO A 40 17.357 7.477 -1.788 1.00 0.00 H new ATOM 0 HG3 PRO A 40 15.754 7.342 -1.091 1.00 0.00 H new ATOM 0 HD2 PRO A 40 17.846 5.216 -1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 40 16.658 5.399 -0.161 1.00 0.00 H new ATOM 696 N GLY A 41 16.520 4.494 -4.930 1.00 0.00 N ATOM 697 CA GLY A 41 16.727 3.805 -6.240 1.00 0.00 C ATOM 698 C GLY A 41 16.128 4.666 -7.353 1.00 0.00 C ATOM 699 O GLY A 41 16.834 5.332 -8.086 1.00 0.00 O ATOM 0 H GLY A 41 17.366 4.873 -4.504 1.00 0.00 H new ATOM 0 HA2 GLY A 41 17.790 3.645 -6.418 1.00 0.00 H new ATOM 0 HA3 GLY A 41 16.255 2.823 -6.228 1.00 0.00 H new ATOM 703 N GLY A 42 14.825 4.735 -7.407 1.00 0.00 N ATOM 704 CA GLY A 42 14.148 5.642 -8.379 1.00 0.00 C ATOM 705 C GLY A 42 12.934 6.268 -7.693 1.00 0.00 C ATOM 706 O GLY A 42 12.932 7.439 -7.362 1.00 0.00 O ATOM 0 H GLY A 42 14.194 4.196 -6.813 1.00 0.00 H new ATOM 0 HA2 GLY A 42 14.835 6.418 -8.715 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.838 5.086 -9.264 1.00 0.00 H new ATOM 710 N GLU A 43 11.954 5.462 -7.369 1.00 0.00 N ATOM 711 CA GLU A 43 10.789 5.958 -6.572 1.00 0.00 C ATOM 712 C GLU A 43 9.877 4.783 -6.195 1.00 0.00 C ATOM 713 O GLU A 43 9.505 4.626 -5.048 1.00 0.00 O ATOM 714 CB GLU A 43 10.050 6.967 -7.470 1.00 0.00 C ATOM 715 CG GLU A 43 9.692 6.329 -8.815 1.00 0.00 C ATOM 716 CD GLU A 43 9.205 7.412 -9.780 1.00 0.00 C ATOM 717 OE1 GLU A 43 10.033 8.169 -10.257 1.00 0.00 O ATOM 718 OE2 GLU A 43 8.011 7.465 -10.026 1.00 0.00 O ATOM 0 H GLU A 43 11.910 4.475 -7.624 1.00 0.00 H new ATOM 0 HA GLU A 43 11.105 6.430 -5.642 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.144 7.310 -6.971 1.00 0.00 H new ATOM 0 HB3 GLU A 43 10.676 7.844 -7.633 1.00 0.00 H new ATOM 0 HG2 GLU A 43 10.562 5.820 -9.231 1.00 0.00 H new ATOM 0 HG3 GLU A 43 8.917 5.575 -8.677 1.00 0.00 H new ATOM 725 N GLU A 44 9.591 3.912 -7.131 1.00 0.00 N ATOM 726 CA GLU A 44 8.792 2.691 -6.810 1.00 0.00 C ATOM 727 C GLU A 44 9.711 1.471 -6.700 1.00 0.00 C ATOM 728 O GLU A 44 10.033 0.844 -7.692 1.00 0.00 O ATOM 729 CB GLU A 44 7.824 2.531 -7.983 1.00 0.00 C ATOM 730 CG GLU A 44 6.755 3.623 -7.917 1.00 0.00 C ATOM 731 CD GLU A 44 5.567 3.229 -8.796 1.00 0.00 C ATOM 732 OE1 GLU A 44 5.801 2.760 -9.898 1.00 0.00 O ATOM 733 OE2 GLU A 44 4.444 3.402 -8.353 1.00 0.00 O ATOM 0 H GLU A 44 9.878 3.995 -8.106 1.00 0.00 H new ATOM 0 HA GLU A 44 8.267 2.779 -5.859 1.00 0.00 H new ATOM 0 HB2 GLU A 44 8.366 2.595 -8.927 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.356 1.547 -7.950 1.00 0.00 H new ATOM 0 HG2 GLU A 44 6.428 3.764 -6.887 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.170 4.573 -8.253 1.00 0.00 H new ATOM 740 N VAL A 45 10.082 1.088 -5.502 1.00 0.00 N ATOM 741 CA VAL A 45 10.919 -0.143 -5.339 1.00 0.00 C ATOM 742 C VAL A 45 10.376 -1.024 -4.206 1.00 0.00 C ATOM 743 O VAL A 45 10.170 -2.203 -4.393 1.00 0.00 O ATOM 744 CB VAL A 45 12.346 0.344 -5.029 1.00 0.00 C ATOM 745 CG1 VAL A 45 12.920 1.045 -6.258 1.00 0.00 C ATOM 746 CG2 VAL A 45 12.348 1.324 -3.849 1.00 0.00 C ATOM 0 H VAL A 45 9.844 1.570 -4.635 1.00 0.00 H new ATOM 0 HA VAL A 45 10.904 -0.755 -6.241 1.00 0.00 H new ATOM 0 HB VAL A 45 12.955 -0.521 -4.767 1.00 0.00 H new ATOM 0 HG11 VAL A 45 13.931 1.391 -6.041 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.947 0.347 -7.095 1.00 0.00 H new ATOM 0 HG13 VAL A 45 12.292 1.898 -6.517 1.00 0.00 H new ATOM 0 HG21 VAL A 45 13.368 1.653 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 45 11.729 2.188 -4.092 1.00 0.00 H new ATOM 0 HG23 VAL A 45 11.948 0.829 -2.964 1.00 0.00 H new ATOM 756 N LEU A 46 10.079 -0.446 -3.064 1.00 0.00 N ATOM 757 CA LEU A 46 9.478 -1.225 -1.928 1.00 0.00 C ATOM 758 C LEU A 46 10.356 -2.432 -1.549 1.00 0.00 C ATOM 759 O LEU A 46 11.141 -2.362 -0.623 1.00 0.00 O ATOM 760 CB LEU A 46 8.095 -1.678 -2.418 1.00 0.00 C ATOM 761 CG LEU A 46 7.009 -0.983 -1.594 1.00 0.00 C ATOM 762 CD1 LEU A 46 7.054 0.527 -1.855 1.00 0.00 C ATOM 763 CD2 LEU A 46 5.641 -1.540 -1.989 1.00 0.00 C ATOM 0 H LEU A 46 10.229 0.544 -2.867 1.00 0.00 H new ATOM 0 HA LEU A 46 9.403 -0.616 -1.027 1.00 0.00 H new ATOM 0 HB2 LEU A 46 7.975 -1.437 -3.474 1.00 0.00 H new ATOM 0 HB3 LEU A 46 8.001 -2.760 -2.325 1.00 0.00 H new ATOM 0 HG LEU A 46 7.180 -1.166 -0.533 1.00 0.00 H new ATOM 0 HD11 LEU A 46 6.280 1.021 -1.268 1.00 0.00 H new ATOM 0 HD12 LEU A 46 8.031 0.917 -1.569 1.00 0.00 H new ATOM 0 HD13 LEU A 46 6.883 0.718 -2.914 1.00 0.00 H new ATOM 0 HD21 LEU A 46 4.865 -1.047 -1.404 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.467 -1.358 -3.049 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.615 -2.612 -1.796 1.00 0.00 H new ATOM 775 N ARG A 47 10.250 -3.526 -2.263 1.00 0.00 N ATOM 776 CA ARG A 47 11.100 -4.714 -1.953 1.00 0.00 C ATOM 777 C ARG A 47 11.484 -5.441 -3.245 1.00 0.00 C ATOM 778 O ARG A 47 12.633 -5.781 -3.456 1.00 0.00 O ATOM 779 CB ARG A 47 10.225 -5.607 -1.074 1.00 0.00 C ATOM 780 CG ARG A 47 9.937 -4.895 0.251 1.00 0.00 C ATOM 781 CD ARG A 47 9.438 -5.912 1.280 1.00 0.00 C ATOM 782 NE ARG A 47 10.636 -6.742 1.618 1.00 0.00 N ATOM 783 CZ ARG A 47 10.696 -7.438 2.737 1.00 0.00 C ATOM 784 NH1 ARG A 47 9.693 -7.468 3.585 1.00 0.00 N ATOM 785 NH2 ARG A 47 11.779 -8.114 3.009 1.00 0.00 N ATOM 0 H ARG A 47 9.610 -3.646 -3.048 1.00 0.00 H new ATOM 0 HA ARG A 47 12.030 -4.439 -1.456 1.00 0.00 H new ATOM 0 HB2 ARG A 47 9.291 -5.836 -1.586 1.00 0.00 H new ATOM 0 HB3 ARG A 47 10.727 -6.556 -0.887 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.840 -4.405 0.616 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.189 -4.116 0.102 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.040 -5.415 2.165 1.00 0.00 H new ATOM 0 HD3 ARG A 47 8.635 -6.526 0.871 1.00 0.00 H new ATOM 0 HE ARG A 47 11.423 -6.770 0.970 1.00 0.00 H new ATOM 0 HH11 ARG A 47 8.841 -6.945 3.385 1.00 0.00 H new ATOM 0 HH12 ARG A 47 9.767 -8.015 4.443 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.566 -8.100 2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 47 11.839 -8.656 3.871 1.00 0.00 H new ATOM 799 N GLU A 48 10.538 -5.641 -4.128 1.00 0.00 N ATOM 800 CA GLU A 48 10.851 -6.300 -5.433 1.00 0.00 C ATOM 801 C GLU A 48 9.865 -5.840 -6.510 1.00 0.00 C ATOM 802 O GLU A 48 9.420 -6.621 -7.330 1.00 0.00 O ATOM 803 CB GLU A 48 10.709 -7.805 -5.172 1.00 0.00 C ATOM 804 CG GLU A 48 9.298 -8.125 -4.664 1.00 0.00 C ATOM 805 CD GLU A 48 8.941 -9.568 -5.022 1.00 0.00 C ATOM 806 OE1 GLU A 48 9.327 -10.004 -6.094 1.00 0.00 O ATOM 807 OE2 GLU A 48 8.289 -10.213 -4.219 1.00 0.00 O ATOM 0 H GLU A 48 9.561 -5.376 -4.001 1.00 0.00 H new ATOM 0 HA GLU A 48 11.849 -6.047 -5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 48 10.908 -8.361 -6.089 1.00 0.00 H new ATOM 0 HB3 GLU A 48 11.449 -8.125 -4.438 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.248 -7.984 -3.584 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.576 -7.440 -5.108 1.00 0.00 H new ATOM 814 N GLN A 49 9.550 -4.570 -6.534 1.00 0.00 N ATOM 815 CA GLN A 49 8.628 -4.039 -7.582 1.00 0.00 C ATOM 816 C GLN A 49 9.410 -3.698 -8.853 1.00 0.00 C ATOM 817 O GLN A 49 10.016 -2.648 -8.954 1.00 0.00 O ATOM 818 CB GLN A 49 8.020 -2.776 -6.971 1.00 0.00 C ATOM 819 CG GLN A 49 6.744 -2.404 -7.731 1.00 0.00 C ATOM 820 CD GLN A 49 6.084 -1.199 -7.060 1.00 0.00 C ATOM 821 OE1 GLN A 49 5.926 -0.160 -7.671 1.00 0.00 O ATOM 822 NE2 GLN A 49 5.687 -1.293 -5.821 1.00 0.00 N ATOM 0 H GLN A 49 9.893 -3.876 -5.870 1.00 0.00 H new ATOM 0 HA GLN A 49 7.864 -4.763 -7.865 1.00 0.00 H new ATOM 0 HB2 GLN A 49 7.793 -2.942 -5.918 1.00 0.00 H new ATOM 0 HB3 GLN A 49 8.736 -1.956 -7.018 1.00 0.00 H new ATOM 0 HG2 GLN A 49 6.981 -2.171 -8.769 1.00 0.00 H new ATOM 0 HG3 GLN A 49 6.056 -3.249 -7.743 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.819 -2.165 -5.308 1.00 0.00 H new ATOM 0 HE22 GLN A 49 5.244 -0.495 -5.365 1.00 0.00 H new ATOM 831 N ALA A 50 9.367 -4.562 -9.835 1.00 0.00 N ATOM 832 CA ALA A 50 10.069 -4.277 -11.122 1.00 0.00 C ATOM 833 C ALA A 50 9.370 -5.001 -12.277 1.00 0.00 C ATOM 834 O ALA A 50 8.977 -4.390 -13.253 1.00 0.00 O ATOM 835 CB ALA A 50 11.486 -4.821 -10.929 1.00 0.00 C ATOM 0 H ALA A 50 8.875 -5.455 -9.800 1.00 0.00 H new ATOM 0 HA ALA A 50 10.069 -3.215 -11.366 1.00 0.00 H new ATOM 0 HB1 ALA A 50 12.068 -4.650 -11.835 1.00 0.00 H new ATOM 0 HB2 ALA A 50 11.960 -4.311 -10.091 1.00 0.00 H new ATOM 0 HB3 ALA A 50 11.440 -5.891 -10.724 1.00 0.00 H new ATOM 841 N GLY A 51 9.179 -6.289 -12.151 1.00 0.00 N ATOM 842 CA GLY A 51 8.464 -7.054 -13.216 1.00 0.00 C ATOM 843 C GLY A 51 7.154 -7.609 -12.655 1.00 0.00 C ATOM 844 O GLY A 51 6.765 -8.722 -12.954 1.00 0.00 O ATOM 0 H GLY A 51 9.488 -6.845 -11.354 1.00 0.00 H new ATOM 0 HA2 GLY A 51 8.261 -6.407 -14.069 1.00 0.00 H new ATOM 0 HA3 GLY A 51 9.092 -7.869 -13.576 1.00 0.00 H new ATOM 848 N GLY A 52 6.455 -6.825 -11.874 1.00 0.00 N ATOM 849 CA GLY A 52 5.145 -7.283 -11.324 1.00 0.00 C ATOM 850 C GLY A 52 4.679 -6.311 -10.239 1.00 0.00 C ATOM 851 O GLY A 52 5.272 -6.219 -9.180 1.00 0.00 O ATOM 0 H GLY A 52 6.736 -5.886 -11.593 1.00 0.00 H new ATOM 0 HA2 GLY A 52 4.403 -7.338 -12.121 1.00 0.00 H new ATOM 0 HA3 GLY A 52 5.243 -8.287 -10.910 1.00 0.00 H new ATOM 855 N ASP A 53 3.597 -5.615 -10.481 1.00 0.00 N ATOM 856 CA ASP A 53 3.055 -4.679 -9.451 1.00 0.00 C ATOM 857 C ASP A 53 1.854 -5.309 -8.743 1.00 0.00 C ATOM 858 O ASP A 53 0.983 -5.881 -9.369 1.00 0.00 O ATOM 859 CB ASP A 53 2.627 -3.436 -10.231 1.00 0.00 C ATOM 860 CG ASP A 53 2.327 -2.297 -9.254 1.00 0.00 C ATOM 861 OD1 ASP A 53 3.271 -1.722 -8.738 1.00 0.00 O ATOM 862 OD2 ASP A 53 1.159 -2.020 -9.039 1.00 0.00 O ATOM 0 H ASP A 53 3.065 -5.655 -11.350 1.00 0.00 H new ATOM 0 HA ASP A 53 3.789 -4.443 -8.680 1.00 0.00 H new ATOM 0 HB2 ASP A 53 3.416 -3.138 -10.922 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.744 -3.656 -10.831 1.00 0.00 H new ATOM 867 N ALA A 54 1.781 -5.174 -7.438 1.00 0.00 N ATOM 868 CA ALA A 54 0.614 -5.725 -6.671 1.00 0.00 C ATOM 869 C ALA A 54 0.399 -7.209 -6.996 1.00 0.00 C ATOM 870 O ALA A 54 -0.337 -7.553 -7.901 1.00 0.00 O ATOM 871 CB ALA A 54 -0.595 -4.897 -7.116 1.00 0.00 C ATOM 0 H ALA A 54 2.484 -4.703 -6.868 1.00 0.00 H new ATOM 0 HA ALA A 54 0.776 -5.662 -5.595 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -1.486 -5.245 -6.594 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.424 -3.847 -6.880 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.737 -5.009 -8.191 1.00 0.00 H new ATOM 877 N THR A 55 1.008 -8.084 -6.237 1.00 0.00 N ATOM 878 CA THR A 55 0.812 -9.547 -6.466 1.00 0.00 C ATOM 879 C THR A 55 1.042 -10.320 -5.164 1.00 0.00 C ATOM 880 O THR A 55 1.464 -9.761 -4.168 1.00 0.00 O ATOM 881 CB THR A 55 1.862 -9.930 -7.511 1.00 0.00 C ATOM 882 OG1 THR A 55 1.928 -8.919 -8.508 1.00 0.00 O ATOM 883 CG2 THR A 55 1.481 -11.262 -8.159 1.00 0.00 C ATOM 0 H THR A 55 1.634 -7.848 -5.467 1.00 0.00 H new ATOM 0 HA THR A 55 -0.199 -9.781 -6.801 1.00 0.00 H new ATOM 0 HB THR A 55 2.834 -10.029 -7.028 1.00 0.00 H new ATOM 0 HG1 THR A 55 2.601 -9.163 -9.177 1.00 0.00 H new ATOM 0 HG21 THR A 55 2.231 -11.532 -8.903 1.00 0.00 H new ATOM 0 HG22 THR A 55 1.432 -12.038 -7.395 1.00 0.00 H new ATOM 0 HG23 THR A 55 0.508 -11.167 -8.642 1.00 0.00 H new ATOM 891 N GLU A 56 0.805 -11.608 -5.178 1.00 0.00 N ATOM 892 CA GLU A 56 1.048 -12.434 -3.953 1.00 0.00 C ATOM 893 C GLU A 56 2.523 -12.356 -3.541 1.00 0.00 C ATOM 894 O GLU A 56 2.856 -12.472 -2.376 1.00 0.00 O ATOM 895 CB GLU A 56 0.667 -13.868 -4.343 1.00 0.00 C ATOM 896 CG GLU A 56 1.513 -14.332 -5.536 1.00 0.00 C ATOM 897 CD GLU A 56 2.651 -15.231 -5.045 1.00 0.00 C ATOM 898 OE1 GLU A 56 3.130 -15.002 -3.947 1.00 0.00 O ATOM 899 OE2 GLU A 56 3.024 -16.134 -5.777 1.00 0.00 O ATOM 0 H GLU A 56 0.454 -12.124 -5.984 1.00 0.00 H new ATOM 0 HA GLU A 56 0.464 -12.082 -3.102 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.821 -14.537 -3.496 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.392 -13.915 -4.598 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.890 -14.874 -6.247 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.920 -13.469 -6.063 1.00 0.00 H new ATOM 906 N ASN A 57 3.401 -12.113 -4.482 1.00 0.00 N ATOM 907 CA ASN A 57 4.849 -11.970 -4.146 1.00 0.00 C ATOM 908 C ASN A 57 5.314 -10.538 -4.425 1.00 0.00 C ATOM 909 O ASN A 57 5.559 -10.166 -5.557 1.00 0.00 O ATOM 910 CB ASN A 57 5.572 -12.959 -5.064 1.00 0.00 C ATOM 911 CG ASN A 57 5.991 -14.199 -4.268 1.00 0.00 C ATOM 912 OD1 ASN A 57 5.450 -14.472 -3.214 1.00 0.00 O ATOM 913 ND2 ASN A 57 6.940 -14.967 -4.730 1.00 0.00 N ATOM 0 H ASN A 57 3.175 -12.007 -5.471 1.00 0.00 H new ATOM 0 HA ASN A 57 5.051 -12.172 -3.094 1.00 0.00 H new ATOM 0 HB2 ASN A 57 4.919 -13.248 -5.887 1.00 0.00 H new ATOM 0 HB3 ASN A 57 6.449 -12.485 -5.504 1.00 0.00 H new ATOM 0 HD21 ASN A 57 7.226 -15.794 -4.207 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.395 -14.740 -5.614 1.00 0.00 H new ATOM 920 N PHE A 58 5.465 -9.743 -3.396 1.00 0.00 N ATOM 921 CA PHE A 58 5.949 -8.343 -3.588 1.00 0.00 C ATOM 922 C PHE A 58 7.002 -7.990 -2.530 1.00 0.00 C ATOM 923 O PHE A 58 7.204 -6.834 -2.209 1.00 0.00 O ATOM 924 CB PHE A 58 4.703 -7.461 -3.431 1.00 0.00 C ATOM 925 CG PHE A 58 4.087 -7.667 -2.063 1.00 0.00 C ATOM 926 CD1 PHE A 58 3.259 -8.770 -1.827 1.00 0.00 C ATOM 927 CD2 PHE A 58 4.344 -6.752 -1.034 1.00 0.00 C ATOM 928 CE1 PHE A 58 2.689 -8.961 -0.562 1.00 0.00 C ATOM 929 CE2 PHE A 58 3.775 -6.943 0.230 1.00 0.00 C ATOM 930 CZ PHE A 58 2.947 -8.046 0.466 1.00 0.00 C ATOM 0 H PHE A 58 5.273 -10.004 -2.429 1.00 0.00 H new ATOM 0 HA PHE A 58 6.423 -8.203 -4.559 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.971 -6.413 -3.563 1.00 0.00 H new ATOM 0 HB3 PHE A 58 3.976 -7.704 -4.206 1.00 0.00 H new ATOM 0 HD1 PHE A 58 3.059 -9.475 -2.621 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.981 -5.899 -1.216 1.00 0.00 H new ATOM 0 HE1 PHE A 58 2.051 -9.813 -0.380 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.975 -6.239 1.024 1.00 0.00 H new ATOM 0 HZ PHE A 58 2.507 -8.192 1.441 1.00 0.00 H new ATOM 940 N GLU A 59 7.697 -8.974 -2.017 1.00 0.00 N ATOM 941 CA GLU A 59 8.767 -8.697 -1.012 1.00 0.00 C ATOM 942 C GLU A 59 10.120 -9.204 -1.524 1.00 0.00 C ATOM 943 O GLU A 59 10.209 -9.779 -2.594 1.00 0.00 O ATOM 944 CB GLU A 59 8.345 -9.457 0.251 1.00 0.00 C ATOM 945 CG GLU A 59 8.182 -10.951 -0.059 1.00 0.00 C ATOM 946 CD GLU A 59 8.645 -11.777 1.142 1.00 0.00 C ATOM 947 OE1 GLU A 59 7.905 -11.847 2.109 1.00 0.00 O ATOM 948 OE2 GLU A 59 9.733 -12.326 1.074 1.00 0.00 O ATOM 0 H GLU A 59 7.569 -9.958 -2.252 1.00 0.00 H new ATOM 0 HA GLU A 59 8.882 -7.630 -0.819 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.092 -9.320 1.033 1.00 0.00 H new ATOM 0 HB3 GLU A 59 7.407 -9.053 0.631 1.00 0.00 H new ATOM 0 HG2 GLU A 59 7.140 -11.174 -0.287 1.00 0.00 H new ATOM 0 HG3 GLU A 59 8.765 -11.215 -0.942 1.00 0.00 H new ATOM 955 N ASP A 60 11.161 -9.035 -0.749 1.00 0.00 N ATOM 956 CA ASP A 60 12.502 -9.549 -1.164 1.00 0.00 C ATOM 957 C ASP A 60 13.173 -10.287 0.001 1.00 0.00 C ATOM 958 O ASP A 60 12.540 -10.604 0.990 1.00 0.00 O ATOM 959 CB ASP A 60 13.308 -8.305 -1.557 1.00 0.00 C ATOM 960 CG ASP A 60 13.405 -7.343 -0.368 1.00 0.00 C ATOM 961 OD1 ASP A 60 13.956 -7.739 0.646 1.00 0.00 O ATOM 962 OD2 ASP A 60 12.928 -6.227 -0.493 1.00 0.00 O ATOM 0 H ASP A 60 11.140 -8.563 0.155 1.00 0.00 H new ATOM 0 HA ASP A 60 12.432 -10.260 -1.988 1.00 0.00 H new ATOM 0 HB2 ASP A 60 14.307 -8.597 -1.881 1.00 0.00 H new ATOM 0 HB3 ASP A 60 12.832 -7.806 -2.401 1.00 0.00 H new ATOM 967 N VAL A 61 14.457 -10.521 -0.096 1.00 0.00 N ATOM 968 CA VAL A 61 15.189 -11.192 1.020 1.00 0.00 C ATOM 969 C VAL A 61 16.703 -11.035 0.830 1.00 0.00 C ATOM 970 O VAL A 61 17.269 -11.518 -0.133 1.00 0.00 O ATOM 971 CB VAL A 61 14.770 -12.666 0.942 1.00 0.00 C ATOM 972 CG1 VAL A 61 15.165 -13.256 -0.416 1.00 0.00 C ATOM 973 CG2 VAL A 61 15.460 -13.455 2.059 1.00 0.00 C ATOM 0 H VAL A 61 15.031 -10.275 -0.902 1.00 0.00 H new ATOM 0 HA VAL A 61 14.953 -10.760 1.993 1.00 0.00 H new ATOM 0 HB VAL A 61 13.688 -12.733 1.059 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.863 -14.302 -0.460 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.668 -12.701 -1.212 1.00 0.00 H new ATOM 0 HG13 VAL A 61 16.245 -13.185 -0.543 1.00 0.00 H new ATOM 0 HG21 VAL A 61 15.162 -14.502 2.003 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.541 -13.379 1.944 1.00 0.00 H new ATOM 0 HG23 VAL A 61 15.169 -13.046 3.027 1.00 0.00 H new ATOM 983 N GLY A 62 17.362 -10.392 1.760 1.00 0.00 N ATOM 984 CA GLY A 62 18.843 -10.234 1.664 1.00 0.00 C ATOM 985 C GLY A 62 19.188 -8.760 1.446 1.00 0.00 C ATOM 986 O GLY A 62 18.958 -8.212 0.386 1.00 0.00 O ATOM 0 H GLY A 62 16.936 -9.968 2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.318 -10.598 2.575 1.00 0.00 H new ATOM 0 HA3 GLY A 62 19.230 -10.834 0.841 1.00 0.00 H new ATOM 990 N HIS A 63 19.773 -8.128 2.433 1.00 0.00 N ATOM 991 CA HIS A 63 20.178 -6.698 2.279 1.00 0.00 C ATOM 992 C HIS A 63 21.255 -6.340 3.306 1.00 0.00 C ATOM 993 O HIS A 63 22.371 -6.004 2.955 1.00 0.00 O ATOM 994 CB HIS A 63 18.903 -5.895 2.537 1.00 0.00 C ATOM 995 CG HIS A 63 18.201 -5.629 1.234 1.00 0.00 C ATOM 996 ND1 HIS A 63 17.140 -6.405 0.793 1.00 0.00 N ATOM 997 CD2 HIS A 63 18.397 -4.676 0.265 1.00 0.00 C ATOM 998 CE1 HIS A 63 16.741 -5.910 -0.393 1.00 0.00 C ATOM 999 NE2 HIS A 63 17.474 -4.855 -0.762 1.00 0.00 N ATOM 0 H HIS A 63 19.988 -8.542 3.340 1.00 0.00 H new ATOM 0 HA HIS A 63 20.597 -6.491 1.294 1.00 0.00 H new ATOM 0 HB2 HIS A 63 18.245 -6.445 3.210 1.00 0.00 H new ATOM 0 HB3 HIS A 63 19.148 -4.953 3.029 1.00 0.00 H new ATOM 0 HD2 HIS A 63 19.152 -3.905 0.295 1.00 0.00 H new ATOM 0 HE1 HIS A 63 15.927 -6.316 -0.976 1.00 0.00 H new ATOM 0 HE2 HIS A 63 17.378 -4.300 -1.613 1.00 0.00 H new ATOM 1007 N SER A 64 20.937 -6.447 4.571 1.00 0.00 N ATOM 1008 CA SER A 64 21.947 -6.154 5.632 1.00 0.00 C ATOM 1009 C SER A 64 21.504 -6.761 6.965 1.00 0.00 C ATOM 1010 O SER A 64 22.287 -7.371 7.669 1.00 0.00 O ATOM 1011 CB SER A 64 21.994 -4.630 5.724 1.00 0.00 C ATOM 1012 OG SER A 64 22.790 -4.252 6.839 1.00 0.00 O ATOM 0 H SER A 64 20.018 -6.726 4.916 1.00 0.00 H new ATOM 0 HA SER A 64 22.924 -6.577 5.401 1.00 0.00 H new ATOM 0 HB2 SER A 64 22.409 -4.211 4.807 1.00 0.00 H new ATOM 0 HB3 SER A 64 20.986 -4.229 5.829 1.00 0.00 H new ATOM 0 HG SER A 64 22.824 -3.275 6.900 1.00 0.00 H new ATOM 1018 N THR A 65 20.242 -6.635 7.291 1.00 0.00 N ATOM 1019 CA THR A 65 19.724 -7.246 8.553 1.00 0.00 C ATOM 1020 C THR A 65 18.310 -7.794 8.333 1.00 0.00 C ATOM 1021 O THR A 65 17.445 -7.661 9.178 1.00 0.00 O ATOM 1022 CB THR A 65 19.715 -6.106 9.580 1.00 0.00 C ATOM 1023 OG1 THR A 65 19.216 -6.595 10.817 1.00 0.00 O ATOM 1024 CG2 THR A 65 18.826 -4.958 9.090 1.00 0.00 C ATOM 0 H THR A 65 19.547 -6.135 6.737 1.00 0.00 H new ATOM 0 HA THR A 65 20.337 -8.082 8.889 1.00 0.00 H new ATOM 0 HB THR A 65 20.732 -5.735 9.710 1.00 0.00 H new ATOM 0 HG1 THR A 65 18.417 -7.139 10.655 1.00 0.00 H new ATOM 0 HG21 THR A 65 18.828 -4.156 9.828 1.00 0.00 H new ATOM 0 HG22 THR A 65 19.209 -4.580 8.142 1.00 0.00 H new ATOM 0 HG23 THR A 65 17.807 -5.320 8.951 1.00 0.00 H new ATOM 1032 N ASP A 66 18.082 -8.444 7.217 1.00 0.00 N ATOM 1033 CA ASP A 66 16.738 -9.052 6.938 1.00 0.00 C ATOM 1034 C ASP A 66 15.625 -8.008 7.099 1.00 0.00 C ATOM 1035 O ASP A 66 15.154 -7.754 8.192 1.00 0.00 O ATOM 1036 CB ASP A 66 16.575 -10.173 7.970 1.00 0.00 C ATOM 1037 CG ASP A 66 17.240 -11.448 7.447 1.00 0.00 C ATOM 1038 OD1 ASP A 66 16.589 -12.176 6.717 1.00 0.00 O ATOM 1039 OD2 ASP A 66 18.390 -11.674 7.786 1.00 0.00 O ATOM 0 H ASP A 66 18.774 -8.582 6.480 1.00 0.00 H new ATOM 0 HA ASP A 66 16.671 -9.427 5.917 1.00 0.00 H new ATOM 0 HB2 ASP A 66 17.025 -9.878 8.918 1.00 0.00 H new ATOM 0 HB3 ASP A 66 15.517 -10.354 8.162 1.00 0.00 H new ATOM 1044 N ALA A 67 15.175 -7.438 6.010 1.00 0.00 N ATOM 1045 CA ALA A 67 14.058 -6.447 6.080 1.00 0.00 C ATOM 1046 C ALA A 67 12.706 -7.155 5.933 1.00 0.00 C ATOM 1047 O ALA A 67 11.845 -6.716 5.193 1.00 0.00 O ATOM 1048 CB ALA A 67 14.301 -5.497 4.907 1.00 0.00 C ATOM 0 H ALA A 67 15.534 -7.617 5.072 1.00 0.00 H new ATOM 0 HA ALA A 67 14.032 -5.920 7.034 1.00 0.00 H new ATOM 0 HB1 ALA A 67 13.521 -4.736 4.887 1.00 0.00 H new ATOM 0 HB2 ALA A 67 15.273 -5.017 5.023 1.00 0.00 H new ATOM 0 HB3 ALA A 67 14.283 -6.059 3.973 1.00 0.00 H new ATOM 1054 N ARG A 68 12.505 -8.230 6.653 1.00 0.00 N ATOM 1055 CA ARG A 68 11.195 -8.951 6.583 1.00 0.00 C ATOM 1056 C ARG A 68 10.074 -8.085 7.166 1.00 0.00 C ATOM 1057 O ARG A 68 8.926 -8.201 6.779 1.00 0.00 O ATOM 1058 CB ARG A 68 11.387 -10.224 7.417 1.00 0.00 C ATOM 1059 CG ARG A 68 11.748 -9.862 8.864 1.00 0.00 C ATOM 1060 CD ARG A 68 12.777 -10.860 9.402 1.00 0.00 C ATOM 1061 NE ARG A 68 12.378 -11.095 10.824 1.00 0.00 N ATOM 1062 CZ ARG A 68 12.546 -10.169 11.747 1.00 0.00 C ATOM 1063 NH1 ARG A 68 13.109 -9.015 11.470 1.00 0.00 N ATOM 1064 NH2 ARG A 68 12.144 -10.404 12.966 1.00 0.00 N ATOM 0 H ARG A 68 13.191 -8.640 7.287 1.00 0.00 H new ATOM 0 HA ARG A 68 10.911 -9.181 5.556 1.00 0.00 H new ATOM 0 HB2 ARG A 68 10.474 -10.819 7.401 1.00 0.00 H new ATOM 0 HB3 ARG A 68 12.175 -10.838 6.981 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.151 -8.850 8.907 1.00 0.00 H new ATOM 0 HG3 ARG A 68 10.854 -9.875 9.487 1.00 0.00 H new ATOM 0 HD2 ARG A 68 12.764 -11.788 8.830 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.788 -10.459 9.337 1.00 0.00 H new ATOM 0 HE ARG A 68 11.967 -11.991 11.085 1.00 0.00 H new ATOM 0 HH11 ARG A 68 13.428 -8.818 10.522 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.227 -8.316 12.203 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.706 -11.296 13.195 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.268 -9.696 13.689 1.00 0.00 H new ATOM 1078 N GLU A 69 10.402 -7.215 8.085 1.00 0.00 N ATOM 1079 CA GLU A 69 9.365 -6.328 8.692 1.00 0.00 C ATOM 1080 C GLU A 69 9.300 -4.988 7.953 1.00 0.00 C ATOM 1081 O GLU A 69 9.122 -3.949 8.559 1.00 0.00 O ATOM 1082 CB GLU A 69 9.821 -6.122 10.137 1.00 0.00 C ATOM 1083 CG GLU A 69 8.596 -5.984 11.045 1.00 0.00 C ATOM 1084 CD GLU A 69 9.020 -6.161 12.503 1.00 0.00 C ATOM 1085 OE1 GLU A 69 9.736 -7.109 12.781 1.00 0.00 O ATOM 1086 OE2 GLU A 69 8.621 -5.346 13.319 1.00 0.00 O ATOM 0 H GLU A 69 11.348 -7.080 8.443 1.00 0.00 H new ATOM 0 HA GLU A 69 8.368 -6.764 8.633 1.00 0.00 H new ATOM 0 HB2 GLU A 69 10.433 -6.964 10.460 1.00 0.00 H new ATOM 0 HB3 GLU A 69 10.443 -5.230 10.209 1.00 0.00 H new ATOM 0 HG2 GLU A 69 8.135 -5.006 10.905 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.847 -6.730 10.780 1.00 0.00 H new ATOM 1093 N LEU A 70 9.376 -5.013 6.647 1.00 0.00 N ATOM 1094 CA LEU A 70 9.243 -3.749 5.861 1.00 0.00 C ATOM 1095 C LEU A 70 7.772 -3.510 5.507 1.00 0.00 C ATOM 1096 O LEU A 70 7.147 -2.591 6.003 1.00 0.00 O ATOM 1097 CB LEU A 70 10.074 -3.975 4.593 1.00 0.00 C ATOM 1098 CG LEU A 70 10.979 -2.767 4.338 1.00 0.00 C ATOM 1099 CD1 LEU A 70 12.229 -2.868 5.219 1.00 0.00 C ATOM 1100 CD2 LEU A 70 11.395 -2.743 2.863 1.00 0.00 C ATOM 0 H LEU A 70 9.525 -5.855 6.090 1.00 0.00 H new ATOM 0 HA LEU A 70 9.586 -2.876 6.416 1.00 0.00 H new ATOM 0 HB2 LEU A 70 10.678 -4.876 4.700 1.00 0.00 H new ATOM 0 HB3 LEU A 70 9.415 -4.133 3.739 1.00 0.00 H new ATOM 0 HG LEU A 70 10.438 -1.852 4.579 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.873 -2.008 5.037 1.00 0.00 H new ATOM 0 HD12 LEU A 70 11.934 -2.885 6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 70 12.770 -3.783 4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 70 12.039 -1.883 2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.935 -3.659 2.622 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.507 -2.670 2.236 1.00 0.00 H new ATOM 1112 N SER A 71 7.203 -4.364 4.691 1.00 0.00 N ATOM 1113 CA SER A 71 5.754 -4.228 4.348 1.00 0.00 C ATOM 1114 C SER A 71 4.890 -4.609 5.555 1.00 0.00 C ATOM 1115 O SER A 71 4.132 -5.560 5.514 1.00 0.00 O ATOM 1116 CB SER A 71 5.522 -5.199 3.188 1.00 0.00 C ATOM 1117 OG SER A 71 6.215 -6.414 3.446 1.00 0.00 O ATOM 0 H SER A 71 7.680 -5.149 4.248 1.00 0.00 H new ATOM 0 HA SER A 71 5.488 -3.206 4.076 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.456 -5.393 3.069 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.872 -4.759 2.254 1.00 0.00 H new ATOM 0 HG SER A 71 6.067 -7.039 2.706 1.00 0.00 H new ATOM 1123 N LYS A 72 4.976 -3.846 6.614 1.00 0.00 N ATOM 1124 CA LYS A 72 4.138 -4.122 7.818 1.00 0.00 C ATOM 1125 C LYS A 72 4.188 -2.927 8.774 1.00 0.00 C ATOM 1126 O LYS A 72 3.187 -2.286 9.032 1.00 0.00 O ATOM 1127 CB LYS A 72 4.769 -5.356 8.466 1.00 0.00 C ATOM 1128 CG LYS A 72 3.851 -5.876 9.574 1.00 0.00 C ATOM 1129 CD LYS A 72 2.683 -6.644 8.951 1.00 0.00 C ATOM 1130 CE LYS A 72 1.495 -6.640 9.915 1.00 0.00 C ATOM 1131 NZ LYS A 72 0.528 -7.614 9.338 1.00 0.00 N ATOM 0 H LYS A 72 5.594 -3.039 6.696 1.00 0.00 H new ATOM 0 HA LYS A 72 3.090 -4.287 7.567 1.00 0.00 H new ATOM 0 HB2 LYS A 72 4.928 -6.132 7.717 1.00 0.00 H new ATOM 0 HB3 LYS A 72 5.747 -5.104 8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 72 4.409 -6.526 10.248 1.00 0.00 H new ATOM 0 HG3 LYS A 72 3.476 -5.044 10.171 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.397 -6.186 8.004 1.00 0.00 H new ATOM 0 HD3 LYS A 72 2.984 -7.669 8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 72 1.800 -6.935 10.919 1.00 0.00 H new ATOM 0 HE3 LYS A 72 1.054 -5.646 9.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -0.315 -7.667 9.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 0.250 -7.304 8.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 0.973 -8.552 9.281 1.00 0.00 H new ATOM 1145 N THR A 73 5.359 -2.593 9.256 1.00 0.00 N ATOM 1146 CA THR A 73 5.495 -1.400 10.147 1.00 0.00 C ATOM 1147 C THR A 73 5.403 -0.104 9.328 1.00 0.00 C ATOM 1148 O THR A 73 5.031 0.934 9.841 1.00 0.00 O ATOM 1149 CB THR A 73 6.875 -1.537 10.804 1.00 0.00 C ATOM 1150 OG1 THR A 73 7.072 -0.459 11.708 1.00 0.00 O ATOM 1151 CG2 THR A 73 7.977 -1.517 9.740 1.00 0.00 C ATOM 0 H THR A 73 6.227 -3.095 9.071 1.00 0.00 H new ATOM 0 HA THR A 73 4.700 -1.354 10.891 1.00 0.00 H new ATOM 0 HB THR A 73 6.920 -2.485 11.340 1.00 0.00 H new ATOM 0 HG1 THR A 73 7.952 -0.544 12.131 1.00 0.00 H new ATOM 0 HG21 THR A 73 8.950 -1.615 10.222 1.00 0.00 H new ATOM 0 HG22 THR A 73 7.830 -2.346 9.048 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.937 -0.576 9.192 1.00 0.00 H new ATOM 1159 N TYR A 74 5.698 -0.168 8.051 1.00 0.00 N ATOM 1160 CA TYR A 74 5.581 1.049 7.189 1.00 0.00 C ATOM 1161 C TYR A 74 4.174 1.139 6.586 1.00 0.00 C ATOM 1162 O TYR A 74 4.013 1.395 5.407 1.00 0.00 O ATOM 1163 CB TYR A 74 6.629 0.864 6.080 1.00 0.00 C ATOM 1164 CG TYR A 74 8.017 0.715 6.678 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.448 1.582 7.692 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.872 -0.295 6.216 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.728 1.438 8.241 1.00 0.00 C ATOM 1168 CE2 TYR A 74 10.152 -0.436 6.766 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.579 0.429 7.779 1.00 0.00 C ATOM 1170 OH TYR A 74 11.839 0.288 8.320 1.00 0.00 O ATOM 0 H TYR A 74 6.014 -1.010 7.570 1.00 0.00 H new ATOM 0 HA TYR A 74 5.746 1.967 7.754 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.386 -0.017 5.486 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.608 1.720 5.405 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.792 2.362 8.050 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.543 -0.965 5.435 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.058 2.107 9.022 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.810 -1.214 6.408 1.00 0.00 H new ATOM 0 HH TYR A 74 12.299 -0.461 7.887 1.00 0.00 H new ATOM 1180 N ILE A 75 3.155 0.965 7.393 1.00 0.00 N ATOM 1181 CA ILE A 75 1.756 1.079 6.877 1.00 0.00 C ATOM 1182 C ILE A 75 0.965 2.094 7.709 1.00 0.00 C ATOM 1183 O ILE A 75 1.274 2.345 8.858 1.00 0.00 O ATOM 1184 CB ILE A 75 1.149 -0.322 7.022 1.00 0.00 C ATOM 1185 CG1 ILE A 75 2.000 -1.339 6.253 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.271 -0.324 6.450 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.476 -2.752 6.517 1.00 0.00 C ATOM 0 H ILE A 75 3.233 0.749 8.387 1.00 0.00 H new ATOM 0 HA ILE A 75 1.731 1.423 5.843 1.00 0.00 H new ATOM 0 HB ILE A 75 1.124 -0.593 8.078 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.967 -1.122 5.185 1.00 0.00 H new ATOM 0 HG13 ILE A 75 3.043 -1.263 6.562 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.703 -1.319 6.553 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -0.883 0.395 6.994 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.239 -0.049 5.396 1.00 0.00 H new ATOM 0 HD11 ILE A 75 2.083 -3.473 5.969 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.532 -2.967 7.584 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.440 -2.824 6.186 1.00 0.00 H new ATOM 1199 N ILE A 76 -0.068 2.657 7.137 1.00 0.00 N ATOM 1200 CA ILE A 76 -0.913 3.640 7.889 1.00 0.00 C ATOM 1201 C ILE A 76 -2.341 3.111 8.065 1.00 0.00 C ATOM 1202 O ILE A 76 -3.041 3.493 8.984 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.920 4.919 7.039 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.340 4.597 5.596 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.480 5.530 7.034 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -2.120 5.774 5.011 1.00 0.00 C ATOM 0 H ILE A 76 -0.366 2.479 6.178 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.517 3.819 8.889 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.632 5.625 7.466 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.459 4.394 4.987 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -1.954 3.697 5.578 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.478 6.438 6.431 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.775 5.772 8.055 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.187 4.816 6.612 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.416 5.542 3.988 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.010 5.956 5.614 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.491 6.664 5.014 1.00 0.00 H new ATOM 1218 N GLY A 77 -2.775 2.233 7.196 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.153 1.674 7.313 1.00 0.00 C ATOM 1220 C GLY A 77 -4.446 0.797 6.097 1.00 0.00 C ATOM 1221 O GLY A 77 -3.563 0.156 5.559 1.00 0.00 O ATOM 0 H GLY A 77 -2.231 1.879 6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.244 1.089 8.228 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.882 2.482 7.377 1.00 0.00 H new ATOM 1225 N GLU A 78 -5.665 0.813 5.624 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.004 0.033 4.398 1.00 0.00 C ATOM 1227 C GLU A 78 -6.988 0.819 3.525 1.00 0.00 C ATOM 1228 O GLU A 78 -7.275 1.971 3.786 1.00 0.00 O ATOM 1229 CB GLU A 78 -6.651 -1.254 4.908 1.00 0.00 C ATOM 1230 CG GLU A 78 -5.561 -2.250 5.312 1.00 0.00 C ATOM 1231 CD GLU A 78 -6.155 -3.314 6.236 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -7.033 -2.974 7.012 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -5.723 -4.452 6.152 1.00 0.00 O ATOM 0 H GLU A 78 -6.441 1.333 6.034 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.126 -0.170 3.785 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.294 -1.037 5.761 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -7.284 -1.687 4.133 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -5.137 -2.720 4.425 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -4.747 -1.729 5.816 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.534 0.187 2.517 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.538 0.876 1.650 1.00 0.00 C ATOM 1242 C LEU A 79 -9.957 0.459 2.053 1.00 0.00 C ATOM 1243 O LEU A 79 -10.176 -0.634 2.539 1.00 0.00 O ATOM 1244 CB LEU A 79 -8.221 0.409 0.228 1.00 0.00 C ATOM 1245 CG LEU A 79 -9.171 1.086 -0.763 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -8.784 2.556 -0.922 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -9.074 0.385 -2.120 1.00 0.00 C ATOM 0 H LEU A 79 -7.328 -0.777 2.257 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.489 1.961 1.740 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.188 0.650 -0.022 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.321 -0.674 0.160 1.00 0.00 H new ATOM 0 HG LEU A 79 -10.193 1.019 -0.389 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.462 3.036 -1.628 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -8.852 3.057 0.044 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.762 2.625 -1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.750 0.866 -2.827 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.052 0.452 -2.492 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.351 -0.663 -2.009 1.00 0.00 H new ATOM 1259 N HIS A 80 -10.922 1.308 1.810 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.338 0.951 2.128 1.00 0.00 C ATOM 1261 C HIS A 80 -12.859 -0.089 1.118 1.00 0.00 C ATOM 1262 O HIS A 80 -12.658 0.067 -0.071 1.00 0.00 O ATOM 1263 CB HIS A 80 -13.120 2.260 1.997 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.334 2.213 2.883 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.447 1.448 2.572 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -14.628 2.833 4.073 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.349 1.624 3.554 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -15.901 2.460 4.495 1.00 0.00 N ATOM 0 H HIS A 80 -10.791 2.235 1.404 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.440 0.515 3.122 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.487 3.103 2.275 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.420 2.414 0.960 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -13.971 3.508 4.601 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.318 1.147 3.579 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.387 2.760 5.340 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.516 -1.124 1.609 1.00 0.00 N ATOM 1277 CA PRO A 81 -14.056 -2.182 0.705 1.00 0.00 C ATOM 1278 C PRO A 81 -14.949 -1.576 -0.389 1.00 0.00 C ATOM 1279 O PRO A 81 -15.154 -2.171 -1.430 1.00 0.00 O ATOM 1280 CB PRO A 81 -14.885 -3.063 1.638 1.00 0.00 C ATOM 1281 CG PRO A 81 -14.297 -2.845 2.992 1.00 0.00 C ATOM 1282 CD PRO A 81 -13.814 -1.421 3.023 1.00 0.00 C ATOM 0 HA PRO A 81 -13.268 -2.726 0.184 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.938 -2.783 1.614 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -14.828 -4.112 1.346 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -15.040 -3.020 3.770 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.475 -3.538 3.174 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.574 -0.749 3.422 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.930 -1.311 3.651 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.484 -0.401 -0.157 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.370 0.245 -1.178 1.00 0.00 C ATOM 1292 C ASP A 82 -15.637 0.399 -2.517 1.00 0.00 C ATOM 1293 O ASP A 82 -16.057 -0.135 -3.527 1.00 0.00 O ATOM 1294 CB ASP A 82 -16.714 1.618 -0.599 1.00 0.00 C ATOM 1295 CG ASP A 82 -17.707 2.328 -1.522 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -17.365 2.543 -2.674 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -18.791 2.646 -1.062 1.00 0.00 O ATOM 0 H ASP A 82 -15.345 0.140 0.697 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.260 -0.353 -1.375 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -17.143 1.507 0.397 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -15.809 2.216 -0.492 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.549 1.123 -2.529 1.00 0.00 N ATOM 1303 CA ASP A 83 -13.783 1.316 -3.800 1.00 0.00 C ATOM 1304 C ASP A 83 -12.897 0.099 -4.109 1.00 0.00 C ATOM 1305 O ASP A 83 -12.325 0.007 -5.179 1.00 0.00 O ATOM 1306 CB ASP A 83 -12.919 2.553 -3.555 1.00 0.00 C ATOM 1307 CG ASP A 83 -13.819 3.765 -3.310 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -14.562 4.119 -4.213 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -13.752 4.319 -2.225 1.00 0.00 O ATOM 0 H ASP A 83 -14.155 1.591 -1.713 1.00 0.00 H new ATOM 0 HA ASP A 83 -14.449 1.434 -4.655 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.268 2.391 -2.696 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -12.273 2.734 -4.414 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.784 -0.837 -3.195 1.00 0.00 N ATOM 1315 CA ARG A 84 -11.940 -2.045 -3.460 1.00 0.00 C ATOM 1316 C ARG A 84 -12.457 -2.803 -4.695 1.00 0.00 C ATOM 1317 O ARG A 84 -11.955 -2.622 -5.788 1.00 0.00 O ATOM 1318 CB ARG A 84 -12.052 -2.907 -2.197 1.00 0.00 C ATOM 1319 CG ARG A 84 -10.896 -2.580 -1.251 1.00 0.00 C ATOM 1320 CD ARG A 84 -9.594 -3.162 -1.810 1.00 0.00 C ATOM 1321 NE ARG A 84 -9.820 -4.640 -1.865 1.00 0.00 N ATOM 1322 CZ ARG A 84 -9.101 -5.417 -2.651 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -8.126 -4.937 -3.388 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -9.364 -6.694 -2.697 1.00 0.00 N ATOM 0 H ARG A 84 -13.238 -0.816 -2.282 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.904 -1.781 -3.671 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -13.005 -2.722 -1.701 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -12.031 -3.964 -2.462 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -10.803 -1.500 -1.134 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -11.095 -2.992 -0.262 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.375 -2.760 -2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.746 -2.916 -1.171 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.546 -5.056 -1.282 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -7.909 -3.941 -3.361 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -7.585 -5.560 -3.987 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -10.118 -7.080 -2.129 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.815 -7.306 -3.301 1.00 0.00 H new ATOM 1338 N SER A 85 -13.464 -3.631 -4.537 1.00 0.00 N ATOM 1339 CA SER A 85 -14.018 -4.372 -5.710 1.00 0.00 C ATOM 1340 C SER A 85 -15.156 -3.571 -6.368 1.00 0.00 C ATOM 1341 O SER A 85 -14.924 -2.801 -7.280 1.00 0.00 O ATOM 1342 CB SER A 85 -14.521 -5.701 -5.139 1.00 0.00 C ATOM 1343 OG SER A 85 -13.407 -6.509 -4.781 1.00 0.00 O ATOM 0 H SER A 85 -13.924 -3.824 -3.647 1.00 0.00 H new ATOM 0 HA SER A 85 -13.274 -4.531 -6.490 1.00 0.00 H new ATOM 0 HB2 SER A 85 -15.150 -5.521 -4.267 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.137 -6.217 -5.875 1.00 0.00 H new ATOM 0 HG SER A 85 -13.725 -7.360 -4.413 1.00 0.00 H new ATOM 1349 N LYS A 86 -16.377 -3.716 -5.896 1.00 0.00 N ATOM 1350 CA LYS A 86 -17.517 -2.935 -6.475 1.00 0.00 C ATOM 1351 C LYS A 86 -18.796 -3.200 -5.675 1.00 0.00 C ATOM 1352 O LYS A 86 -19.550 -4.104 -5.980 1.00 0.00 O ATOM 1353 CB LYS A 86 -17.680 -3.446 -7.910 1.00 0.00 C ATOM 1354 CG LYS A 86 -18.349 -2.367 -8.763 1.00 0.00 C ATOM 1355 CD LYS A 86 -17.277 -1.514 -9.444 1.00 0.00 C ATOM 1356 CE LYS A 86 -16.775 -0.449 -8.465 1.00 0.00 C ATOM 1357 NZ LYS A 86 -16.164 0.604 -9.324 1.00 0.00 N ATOM 0 H LYS A 86 -16.630 -4.344 -5.133 1.00 0.00 H new ATOM 0 HA LYS A 86 -17.328 -1.862 -6.446 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -16.707 -3.704 -8.328 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.281 -4.355 -7.917 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -18.992 -2.828 -9.513 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -18.986 -1.739 -8.140 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -16.449 -2.143 -9.770 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -17.687 -1.040 -10.336 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -17.592 -0.046 -7.867 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -16.045 -0.864 -7.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -15.796 1.370 -8.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -15.385 0.192 -9.877 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -16.884 0.985 -9.971 1.00 0.00 H new ATOM 1371 N ILE A 87 -19.045 -2.412 -4.659 1.00 0.00 N ATOM 1372 CA ILE A 87 -20.290 -2.612 -3.838 1.00 0.00 C ATOM 1373 C ILE A 87 -21.510 -1.936 -4.502 1.00 0.00 C ATOM 1374 O ILE A 87 -22.587 -1.916 -3.936 1.00 0.00 O ATOM 1375 CB ILE A 87 -20.014 -2.029 -2.415 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -20.233 -0.497 -2.355 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -18.584 -2.357 -1.956 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -19.248 0.236 -3.268 1.00 0.00 C ATOM 0 H ILE A 87 -18.447 -1.642 -4.360 1.00 0.00 H new ATOM 0 HA ILE A 87 -20.531 -3.673 -3.765 1.00 0.00 H new ATOM 0 HB ILE A 87 -20.731 -2.501 -1.743 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -21.255 -0.261 -2.653 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -20.111 -0.149 -1.329 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -18.416 -1.941 -0.963 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -18.451 -3.438 -1.923 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -17.869 -1.925 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -19.425 1.310 -3.206 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -18.228 0.017 -2.953 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -19.389 -0.096 -4.297 1.00 0.00 H new ATOM 1390 N ALA A 88 -21.362 -1.418 -5.700 1.00 0.00 N ATOM 1391 CA ALA A 88 -22.530 -0.788 -6.394 1.00 0.00 C ATOM 1392 C ALA A 88 -23.549 -1.861 -6.791 1.00 0.00 C ATOM 1393 O ALA A 88 -23.685 -2.204 -7.951 1.00 0.00 O ATOM 1394 CB ALA A 88 -21.944 -0.115 -7.639 1.00 0.00 C ATOM 0 H ALA A 88 -20.487 -1.405 -6.224 1.00 0.00 H new ATOM 0 HA ALA A 88 -23.051 -0.074 -5.756 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -22.743 0.370 -8.201 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -21.208 0.631 -7.337 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -21.463 -0.866 -8.266 1.00 0.00 H new ATOM 1400 N LYS A 89 -24.289 -2.367 -5.837 1.00 0.00 N ATOM 1401 CA LYS A 89 -25.335 -3.390 -6.150 1.00 0.00 C ATOM 1402 C LYS A 89 -26.360 -2.821 -7.152 1.00 0.00 C ATOM 1403 O LYS A 89 -27.116 -1.933 -6.812 1.00 0.00 O ATOM 1404 CB LYS A 89 -26.011 -3.707 -4.807 1.00 0.00 C ATOM 1405 CG LYS A 89 -26.579 -2.424 -4.181 1.00 0.00 C ATOM 1406 CD LYS A 89 -28.106 -2.418 -4.302 1.00 0.00 C ATOM 1407 CE LYS A 89 -28.601 -0.978 -4.453 1.00 0.00 C ATOM 1408 NZ LYS A 89 -29.920 -0.951 -3.763 1.00 0.00 N ATOM 0 H LYS A 89 -24.214 -2.115 -4.851 1.00 0.00 H new ATOM 0 HA LYS A 89 -24.907 -4.282 -6.607 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -26.811 -4.432 -4.957 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -25.291 -4.163 -4.128 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -26.288 -2.361 -3.132 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -26.162 -1.550 -4.681 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -28.415 -3.012 -5.162 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -28.553 -2.877 -3.420 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -27.905 -0.272 -4.001 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -28.699 -0.702 -5.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -30.324 0.005 -3.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -30.564 -1.628 -4.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -29.795 -1.211 -2.764 1.00 0.00 H new ATOM 1422 N PRO A 90 -26.361 -3.346 -8.367 1.00 0.00 N ATOM 1423 CA PRO A 90 -27.318 -2.862 -9.404 1.00 0.00 C ATOM 1424 C PRO A 90 -28.757 -2.842 -8.867 1.00 0.00 C ATOM 1425 O PRO A 90 -29.511 -1.923 -9.126 1.00 0.00 O ATOM 1426 CB PRO A 90 -27.185 -3.888 -10.526 1.00 0.00 C ATOM 1427 CG PRO A 90 -25.821 -4.474 -10.358 1.00 0.00 C ATOM 1428 CD PRO A 90 -25.492 -4.414 -8.890 1.00 0.00 C ATOM 0 HA PRO A 90 -27.102 -1.843 -9.725 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -27.956 -4.655 -10.452 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -27.295 -3.419 -11.504 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -25.797 -5.503 -10.717 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -25.088 -3.916 -10.940 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -25.691 -5.366 -8.398 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -24.439 -4.186 -8.727 1.00 0.00 H new ATOM 1436 N SER A 91 -29.123 -3.831 -8.091 1.00 0.00 N ATOM 1437 CA SER A 91 -30.493 -3.855 -7.496 1.00 0.00 C ATOM 1438 C SER A 91 -30.580 -4.925 -6.405 1.00 0.00 C ATOM 1439 O SER A 91 -31.137 -4.699 -5.346 1.00 0.00 O ATOM 1440 CB SER A 91 -31.422 -4.201 -8.660 1.00 0.00 C ATOM 1441 OG SER A 91 -32.011 -3.009 -9.161 1.00 0.00 O ATOM 0 H SER A 91 -28.531 -4.624 -7.844 1.00 0.00 H new ATOM 0 HA SER A 91 -30.757 -2.906 -7.030 1.00 0.00 H new ATOM 0 HB2 SER A 91 -30.863 -4.704 -9.449 1.00 0.00 H new ATOM 0 HB3 SER A 91 -32.197 -4.892 -8.329 1.00 0.00 H new ATOM 0 HG SER A 91 -31.318 -2.326 -9.279 1.00 0.00 H new ATOM 1447 N GLU A 92 -29.999 -6.075 -6.642 1.00 0.00 N ATOM 1448 CA GLU A 92 -30.008 -7.152 -5.604 1.00 0.00 C ATOM 1449 C GLU A 92 -29.257 -6.688 -4.353 1.00 0.00 C ATOM 1450 O GLU A 92 -28.192 -6.105 -4.442 1.00 0.00 O ATOM 1451 CB GLU A 92 -29.292 -8.341 -6.249 1.00 0.00 C ATOM 1452 CG GLU A 92 -30.324 -9.281 -6.875 1.00 0.00 C ATOM 1453 CD GLU A 92 -29.832 -10.725 -6.766 1.00 0.00 C ATOM 1454 OE1 GLU A 92 -28.869 -11.055 -7.438 1.00 0.00 O ATOM 1455 OE2 GLU A 92 -30.427 -11.478 -6.012 1.00 0.00 O ATOM 0 H GLU A 92 -29.519 -6.315 -7.509 1.00 0.00 H new ATOM 0 HA GLU A 92 -31.020 -7.410 -5.291 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -28.595 -7.990 -7.010 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -28.705 -8.875 -5.501 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -31.283 -9.173 -6.369 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -30.484 -9.018 -7.921 1.00 0.00 H new ATOM 1462 N THR A 93 -29.785 -6.978 -3.193 1.00 0.00 N ATOM 1463 CA THR A 93 -29.087 -6.597 -1.928 1.00 0.00 C ATOM 1464 C THR A 93 -28.897 -7.827 -1.037 1.00 0.00 C ATOM 1465 O THR A 93 -27.804 -8.342 -0.901 1.00 0.00 O ATOM 1466 CB THR A 93 -30.013 -5.582 -1.255 1.00 0.00 C ATOM 1467 OG1 THR A 93 -31.311 -6.145 -1.122 1.00 0.00 O ATOM 1468 CG2 THR A 93 -30.088 -4.312 -2.104 1.00 0.00 C ATOM 0 H THR A 93 -30.673 -7.464 -3.066 1.00 0.00 H new ATOM 0 HA THR A 93 -28.095 -6.184 -2.111 1.00 0.00 H new ATOM 0 HB THR A 93 -29.622 -5.331 -0.269 1.00 0.00 H new ATOM 0 HG1 THR A 93 -31.906 -5.497 -0.689 1.00 0.00 H new ATOM 0 HG21 THR A 93 -30.748 -3.591 -1.622 1.00 0.00 H new ATOM 0 HG22 THR A 93 -29.092 -3.882 -2.204 1.00 0.00 H new ATOM 0 HG23 THR A 93 -30.478 -4.557 -3.092 1.00 0.00 H new ATOM 1476 N LEU A 94 -29.962 -8.316 -0.454 1.00 0.00 N ATOM 1477 CA LEU A 94 -29.859 -9.535 0.404 1.00 0.00 C ATOM 1478 C LEU A 94 -29.817 -10.797 -0.466 1.00 0.00 C ATOM 1479 O LEU A 94 -30.329 -10.747 -1.573 1.00 0.00 O ATOM 1480 CB LEU A 94 -31.119 -9.516 1.281 1.00 0.00 C ATOM 1481 CG LEU A 94 -32.382 -9.581 0.402 1.00 0.00 C ATOM 1482 CD1 LEU A 94 -33.021 -10.967 0.517 1.00 0.00 C ATOM 1483 CD2 LEU A 94 -33.387 -8.523 0.866 1.00 0.00 C ATOM 1484 OXT LEU A 94 -29.272 -11.789 -0.011 1.00 0.00 O ATOM 0 H LEU A 94 -30.900 -7.923 -0.535 1.00 0.00 H new ATOM 0 HA LEU A 94 -28.950 -9.540 1.005 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -31.103 -10.360 1.970 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -31.135 -8.610 1.887 1.00 0.00 H new ATOM 0 HG LEU A 94 -32.105 -9.393 -0.635 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -33.914 -11.009 -0.106 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -32.311 -11.724 0.184 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -33.294 -11.157 1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -34.280 -8.571 0.242 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -33.659 -8.711 1.905 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -32.938 -7.533 0.782 1.00 0.00 H new TER 1496 LEU A 94