USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=23 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+ -151:sc= 0.961 (180deg=0.324) USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 150:sc= -0.145 USER MOD Single : A 8 THR OG1 : rot -130:sc= -2.14 USER MOD Single : A 13 GLN : amide:sc= -3.59 K(o=-3.6,f=-9.4!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 HIS : no HD1:sc= -9.35! C(o=-9.4!,f=-9.6!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= 0.0749 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 SER OG : rot -159:sc= -0.9 USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 HIS : no HE2:sc= -0.866 K(o=-0.87,f=-2.6) USER MOD Single : A 27 HIS : no HD1:sc= -2.33 K(o=-2.3,f=-4.2!) USER MOD Single : A 28 LYS NZ :NH3+ 160:sc= 0 (180deg=-0.326) USER MOD Single : A 30 TYR OH : rot 180:sc= -0.116 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 HIS : no HD1:sc= -4.55! C(o=-4.5!,f=-8.4!) USER MOD Single : A 49 GLN : amide:sc= -2.83 K(o=-2.8,f=-4.5!) USER MOD Single : A 55 THR OG1 : rot -54:sc= 0.765 USER MOD Single : A 57 ASN :FLIP amide:sc= -0.189 F(o=-2.8!,f=-0.19) USER MOD Single : A 63 HIS : no HE2:sc= 0.56 K(o=0.56,f=-3.4!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 THR OG1 : rot 180:sc= -0.176 USER MOD Single : A 71 SER OG : rot 180:sc= 0.0865 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 60:sc= 1.65 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 HIS : no HD1:sc= -4.07 K(o=-4.1,f=-10!) USER MOD Single : A 85 SER OG : rot 180:sc= 0.00046 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 LYS NZ :NH3+ 172:sc= 0.394 (180deg=0.314) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0.301 USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 -5.939 7.713 15.686 1.00 0.00 N ATOM 2 CA ASP A 1 -5.189 6.792 14.784 1.00 0.00 C ATOM 3 C ASP A 1 -4.793 5.520 15.538 1.00 0.00 C ATOM 4 O ASP A 1 -4.036 5.563 16.489 1.00 0.00 O ATOM 5 CB ASP A 1 -3.944 7.575 14.364 1.00 0.00 C ATOM 6 CG ASP A 1 -3.176 6.784 13.305 1.00 0.00 C ATOM 7 OD1 ASP A 1 -2.536 5.811 13.669 1.00 0.00 O ATOM 8 OD2 ASP A 1 -3.240 7.163 12.147 1.00 0.00 O ATOM 0 H1 ASP A 1 -6.202 8.573 15.163 1.00 0.00 H new ATOM 0 H2 ASP A 1 -6.799 7.239 16.029 1.00 0.00 H new ATOM 0 H3 ASP A 1 -5.339 7.970 16.496 1.00 0.00 H new ATOM 0 HA ASP A 1 -5.784 6.480 13.925 1.00 0.00 H new ATOM 0 HB2 ASP A 1 -4.231 8.549 13.968 1.00 0.00 H new ATOM 0 HB3 ASP A 1 -3.307 7.757 15.230 1.00 0.00 H new ATOM 13 N LYS A 2 -5.270 4.384 15.093 1.00 0.00 N ATOM 14 CA LYS A 2 -4.893 3.098 15.750 1.00 0.00 C ATOM 15 C LYS A 2 -5.163 1.923 14.806 1.00 0.00 C ATOM 16 O LYS A 2 -6.180 1.871 14.141 1.00 0.00 O ATOM 17 CB LYS A 2 -5.787 3.008 16.987 1.00 0.00 C ATOM 18 CG LYS A 2 -5.403 1.775 17.807 1.00 0.00 C ATOM 19 CD LYS A 2 -6.559 1.397 18.735 1.00 0.00 C ATOM 20 CE LYS A 2 -6.457 2.201 20.032 1.00 0.00 C ATOM 21 NZ LYS A 2 -7.200 1.397 21.043 1.00 0.00 N ATOM 0 H LYS A 2 -5.906 4.293 14.301 1.00 0.00 H new ATOM 0 HA LYS A 2 -3.835 3.061 16.009 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -5.680 3.908 17.592 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.834 2.948 16.689 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.169 0.943 17.143 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -4.506 1.979 18.391 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -7.512 1.596 18.245 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.530 0.329 18.953 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.418 2.343 20.327 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.895 3.193 19.917 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.175 1.885 21.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -8.188 1.284 20.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.757 0.461 21.136 1.00 0.00 H new ATOM 35 N ASP A 3 -4.273 0.959 14.770 1.00 0.00 N ATOM 36 CA ASP A 3 -4.480 -0.250 13.903 1.00 0.00 C ATOM 37 C ASP A 3 -4.775 0.164 12.456 1.00 0.00 C ATOM 38 O ASP A 3 -4.501 1.279 12.053 1.00 0.00 O ATOM 39 CB ASP A 3 -5.680 -0.984 14.507 1.00 0.00 C ATOM 40 CG ASP A 3 -5.466 -2.495 14.387 1.00 0.00 C ATOM 41 OD1 ASP A 3 -5.442 -2.983 13.270 1.00 0.00 O ATOM 42 OD2 ASP A 3 -5.332 -3.137 15.416 1.00 0.00 O ATOM 0 H ASP A 3 -3.406 0.956 15.307 1.00 0.00 H new ATOM 0 HA ASP A 3 -3.592 -0.881 13.873 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.802 -0.705 15.554 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -6.595 -0.693 13.991 1.00 0.00 H new ATOM 47 N VAL A 4 -5.369 -0.714 11.688 1.00 0.00 N ATOM 48 CA VAL A 4 -5.729 -0.365 10.281 1.00 0.00 C ATOM 49 C VAL A 4 -7.073 0.373 10.249 1.00 0.00 C ATOM 50 O VAL A 4 -8.018 -0.009 10.914 1.00 0.00 O ATOM 51 CB VAL A 4 -5.817 -1.714 9.551 1.00 0.00 C ATOM 52 CG1 VAL A 4 -6.335 -1.515 8.123 1.00 0.00 C ATOM 53 CG2 VAL A 4 -4.426 -2.346 9.489 1.00 0.00 C ATOM 0 H VAL A 4 -5.621 -1.660 11.976 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.001 0.297 9.812 1.00 0.00 H new ATOM 0 HB VAL A 4 -6.504 -2.363 10.094 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -6.392 -2.480 7.619 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.327 -1.064 8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -5.656 -0.860 7.578 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.484 -3.304 8.972 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.749 -1.683 8.950 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.052 -2.502 10.501 1.00 0.00 H new ATOM 63 N LYS A 5 -7.178 1.380 9.420 1.00 0.00 N ATOM 64 CA LYS A 5 -8.477 2.098 9.262 1.00 0.00 C ATOM 65 C LYS A 5 -8.992 1.927 7.828 1.00 0.00 C ATOM 66 O LYS A 5 -8.536 1.067 7.100 1.00 0.00 O ATOM 67 CB LYS A 5 -8.164 3.570 9.563 1.00 0.00 C ATOM 68 CG LYS A 5 -7.092 4.088 8.598 1.00 0.00 C ATOM 69 CD LYS A 5 -6.943 5.602 8.765 1.00 0.00 C ATOM 70 CE LYS A 5 -7.856 6.318 7.767 1.00 0.00 C ATOM 71 NZ LYS A 5 -7.610 7.769 7.995 1.00 0.00 N ATOM 0 H LYS A 5 -6.416 1.737 8.844 1.00 0.00 H new ATOM 0 HA LYS A 5 -9.251 1.714 9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.070 4.169 9.469 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -7.819 3.674 10.592 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -6.141 3.594 8.796 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -7.367 3.850 7.570 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.200 5.893 9.783 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -5.906 5.896 8.602 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -7.620 6.034 6.741 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -8.902 6.063 7.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.468 8.308 7.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.366 7.927 8.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -6.824 8.087 7.392 1.00 0.00 H new ATOM 85 N TYR A 6 -9.906 2.765 7.408 1.00 0.00 N ATOM 86 CA TYR A 6 -10.413 2.680 6.005 1.00 0.00 C ATOM 87 C TYR A 6 -10.194 4.009 5.279 1.00 0.00 C ATOM 88 O TYR A 6 -11.076 4.845 5.216 1.00 0.00 O ATOM 89 CB TYR A 6 -11.905 2.375 6.140 1.00 0.00 C ATOM 90 CG TYR A 6 -12.089 0.903 6.417 1.00 0.00 C ATOM 91 CD1 TYR A 6 -11.565 -0.047 5.531 1.00 0.00 C ATOM 92 CD2 TYR A 6 -12.779 0.486 7.561 1.00 0.00 C ATOM 93 CE1 TYR A 6 -11.732 -1.412 5.789 1.00 0.00 C ATOM 94 CE2 TYR A 6 -12.946 -0.880 7.819 1.00 0.00 C ATOM 95 CZ TYR A 6 -12.422 -1.829 6.934 1.00 0.00 C ATOM 96 OH TYR A 6 -12.587 -3.175 7.189 1.00 0.00 O ATOM 0 H TYR A 6 -10.322 3.503 7.975 1.00 0.00 H new ATOM 0 HA TYR A 6 -9.894 1.917 5.424 1.00 0.00 H new ATOM 0 HB2 TYR A 6 -12.337 2.966 6.948 1.00 0.00 H new ATOM 0 HB3 TYR A 6 -12.429 2.653 5.226 1.00 0.00 H new ATOM 0 HD1 TYR A 6 -11.032 0.274 4.648 1.00 0.00 H new ATOM 0 HD2 TYR A 6 -13.183 1.218 8.245 1.00 0.00 H new ATOM 0 HE1 TYR A 6 -11.329 -2.144 5.105 1.00 0.00 H new ATOM 0 HE2 TYR A 6 -13.479 -1.201 8.701 1.00 0.00 H new ATOM 0 HH TYR A 6 -13.087 -3.291 8.024 1.00 0.00 H new ATOM 106 N TYR A 7 -9.038 4.186 4.692 1.00 0.00 N ATOM 107 CA TYR A 7 -8.766 5.435 3.918 1.00 0.00 C ATOM 108 C TYR A 7 -9.744 5.552 2.746 1.00 0.00 C ATOM 109 O TYR A 7 -10.684 4.786 2.636 1.00 0.00 O ATOM 110 CB TYR A 7 -7.332 5.288 3.404 1.00 0.00 C ATOM 111 CG TYR A 7 -6.362 5.661 4.500 1.00 0.00 C ATOM 112 CD1 TYR A 7 -6.229 6.998 4.890 1.00 0.00 C ATOM 113 CD2 TYR A 7 -5.598 4.669 5.127 1.00 0.00 C ATOM 114 CE1 TYR A 7 -5.330 7.345 5.905 1.00 0.00 C ATOM 115 CE2 TYR A 7 -4.699 5.017 6.142 1.00 0.00 C ATOM 116 CZ TYR A 7 -4.565 6.354 6.532 1.00 0.00 C ATOM 117 OH TYR A 7 -3.679 6.696 7.533 1.00 0.00 O ATOM 0 H TYR A 7 -8.268 3.517 4.715 1.00 0.00 H new ATOM 0 HA TYR A 7 -8.888 6.330 4.528 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.154 4.263 3.080 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -7.179 5.928 2.535 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -6.820 7.762 4.408 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -5.702 3.637 4.828 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.226 8.377 6.205 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -4.108 4.253 6.625 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.594 5.951 8.164 1.00 0.00 H new ATOM 127 N THR A 8 -9.505 6.476 1.851 1.00 0.00 N ATOM 128 CA THR A 8 -10.389 6.615 0.656 1.00 0.00 C ATOM 129 C THR A 8 -9.584 6.398 -0.627 1.00 0.00 C ATOM 130 O THR A 8 -8.376 6.543 -0.643 1.00 0.00 O ATOM 131 CB THR A 8 -10.922 8.048 0.720 1.00 0.00 C ATOM 132 OG1 THR A 8 -9.830 8.957 0.723 1.00 0.00 O ATOM 133 CG2 THR A 8 -11.745 8.232 1.996 1.00 0.00 C ATOM 0 H THR A 8 -8.734 7.142 1.897 1.00 0.00 H new ATOM 0 HA THR A 8 -11.195 5.881 0.652 1.00 0.00 H new ATOM 0 HB THR A 8 -11.554 8.241 -0.147 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.940 9.599 1.455 1.00 0.00 H new ATOM 0 HG21 THR A 8 -12.124 9.253 2.040 1.00 0.00 H new ATOM 0 HG22 THR A 8 -12.582 7.534 1.993 1.00 0.00 H new ATOM 0 HG23 THR A 8 -11.116 8.040 2.865 1.00 0.00 H new ATOM 141 N LEU A 9 -10.250 6.083 -1.709 1.00 0.00 N ATOM 142 CA LEU A 9 -9.536 5.890 -3.007 1.00 0.00 C ATOM 143 C LEU A 9 -9.248 7.243 -3.665 1.00 0.00 C ATOM 144 O LEU A 9 -8.290 7.392 -4.400 1.00 0.00 O ATOM 145 CB LEU A 9 -10.496 5.069 -3.869 1.00 0.00 C ATOM 146 CG LEU A 9 -9.745 4.498 -5.071 1.00 0.00 C ATOM 147 CD1 LEU A 9 -8.947 3.267 -4.638 1.00 0.00 C ATOM 148 CD2 LEU A 9 -10.748 4.097 -6.155 1.00 0.00 C ATOM 0 H LEU A 9 -11.261 5.951 -1.749 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.575 5.392 -2.877 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -10.929 4.260 -3.280 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -11.322 5.694 -4.207 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.064 5.253 -5.465 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -8.412 2.860 -5.496 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -8.232 3.550 -3.865 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -9.628 2.512 -4.244 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.213 3.690 -7.013 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.428 3.343 -5.760 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -11.318 4.973 -6.465 1.00 0.00 H new ATOM 160 N GLU A 10 -10.055 8.235 -3.383 1.00 0.00 N ATOM 161 CA GLU A 10 -9.815 9.592 -3.966 1.00 0.00 C ATOM 162 C GLU A 10 -8.622 10.263 -3.277 1.00 0.00 C ATOM 163 O GLU A 10 -7.925 11.064 -3.872 1.00 0.00 O ATOM 164 CB GLU A 10 -11.100 10.378 -3.697 1.00 0.00 C ATOM 165 CG GLU A 10 -12.106 10.109 -4.818 1.00 0.00 C ATOM 166 CD GLU A 10 -13.508 10.501 -4.349 1.00 0.00 C ATOM 167 OE1 GLU A 10 -14.116 9.717 -3.640 1.00 0.00 O ATOM 168 OE2 GLU A 10 -13.951 11.580 -4.709 1.00 0.00 O ATOM 0 H GLU A 10 -10.870 8.164 -2.774 1.00 0.00 H new ATOM 0 HA GLU A 10 -9.583 9.545 -5.030 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -11.523 10.086 -2.736 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -10.881 11.444 -3.638 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -11.836 10.678 -5.708 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -12.085 9.055 -5.095 1.00 0.00 H new ATOM 175 N GLU A 11 -8.368 9.920 -2.039 1.00 0.00 N ATOM 176 CA GLU A 11 -7.199 10.509 -1.318 1.00 0.00 C ATOM 177 C GLU A 11 -5.913 9.770 -1.694 1.00 0.00 C ATOM 178 O GLU A 11 -4.886 10.377 -1.931 1.00 0.00 O ATOM 179 CB GLU A 11 -7.513 10.319 0.166 1.00 0.00 C ATOM 180 CG GLU A 11 -6.414 10.971 1.008 1.00 0.00 C ATOM 181 CD GLU A 11 -6.453 12.488 0.813 1.00 0.00 C ATOM 182 OE1 GLU A 11 -7.463 13.083 1.150 1.00 0.00 O ATOM 183 OE2 GLU A 11 -5.473 13.027 0.328 1.00 0.00 O ATOM 0 H GLU A 11 -8.921 9.257 -1.496 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.045 11.558 -1.572 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.480 10.763 0.404 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.584 9.257 0.401 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.554 10.725 2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.439 10.581 0.717 1.00 0.00 H new ATOM 190 N ILE A 12 -5.975 8.465 -1.787 1.00 0.00 N ATOM 191 CA ILE A 12 -4.765 7.680 -2.191 1.00 0.00 C ATOM 192 C ILE A 12 -4.368 8.026 -3.632 1.00 0.00 C ATOM 193 O ILE A 12 -3.212 7.930 -4.002 1.00 0.00 O ATOM 194 CB ILE A 12 -5.181 6.207 -2.081 1.00 0.00 C ATOM 195 CG1 ILE A 12 -5.589 5.897 -0.637 1.00 0.00 C ATOM 196 CG2 ILE A 12 -4.007 5.307 -2.475 1.00 0.00 C ATOM 197 CD1 ILE A 12 -6.422 4.614 -0.606 1.00 0.00 C ATOM 0 H ILE A 12 -6.809 7.909 -1.601 1.00 0.00 H new ATOM 0 HA ILE A 12 -3.902 7.901 -1.562 1.00 0.00 H new ATOM 0 HB ILE A 12 -6.022 6.022 -2.749 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -4.702 5.782 -0.014 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -6.164 6.726 -0.224 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -4.307 4.262 -2.395 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -3.712 5.523 -3.502 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -3.165 5.495 -1.809 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -6.712 4.393 0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -7.316 4.746 -1.215 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -5.832 3.787 -1.002 1.00 0.00 H new ATOM 209 N GLN A 13 -5.310 8.453 -4.436 1.00 0.00 N ATOM 210 CA GLN A 13 -4.987 8.839 -5.844 1.00 0.00 C ATOM 211 C GLN A 13 -4.647 10.333 -5.941 1.00 0.00 C ATOM 212 O GLN A 13 -4.738 10.923 -7.001 1.00 0.00 O ATOM 213 CB GLN A 13 -6.260 8.530 -6.637 1.00 0.00 C ATOM 214 CG GLN A 13 -6.108 7.188 -7.359 1.00 0.00 C ATOM 215 CD GLN A 13 -5.998 6.060 -6.331 1.00 0.00 C ATOM 216 OE1 GLN A 13 -5.134 6.083 -5.476 1.00 0.00 O ATOM 217 NE2 GLN A 13 -6.843 5.067 -6.378 1.00 0.00 N ATOM 0 H GLN A 13 -6.292 8.551 -4.177 1.00 0.00 H new ATOM 0 HA GLN A 13 -4.119 8.300 -6.223 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -7.118 8.497 -5.966 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -6.451 9.323 -7.360 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -6.964 7.016 -8.012 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -5.221 7.203 -7.993 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -7.568 5.048 -7.095 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.779 4.310 -5.697 1.00 0.00 H new ATOM 226 N LYS A 14 -4.222 10.939 -4.858 1.00 0.00 N ATOM 227 CA LYS A 14 -3.836 12.382 -4.904 1.00 0.00 C ATOM 228 C LYS A 14 -3.077 12.769 -3.631 1.00 0.00 C ATOM 229 O LYS A 14 -3.589 13.473 -2.781 1.00 0.00 O ATOM 230 CB LYS A 14 -5.161 13.142 -4.996 1.00 0.00 C ATOM 231 CG LYS A 14 -4.964 14.415 -5.822 1.00 0.00 C ATOM 232 CD LYS A 14 -5.932 15.495 -5.335 1.00 0.00 C ATOM 233 CE LYS A 14 -5.299 16.875 -5.529 1.00 0.00 C ATOM 234 NZ LYS A 14 -5.832 17.702 -4.412 1.00 0.00 N ATOM 0 H LYS A 14 -4.126 10.495 -3.945 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.178 12.608 -5.743 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.922 12.512 -5.456 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -5.517 13.395 -3.997 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -3.936 14.765 -5.730 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.137 14.206 -6.878 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -6.870 15.433 -5.887 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -6.170 15.337 -4.283 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -4.211 16.819 -5.495 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -5.566 17.299 -6.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -5.443 18.664 -4.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -6.869 17.743 -4.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -5.557 17.277 -3.504 1.00 0.00 H new ATOM 248 N HIS A 15 -1.846 12.339 -3.513 1.00 0.00 N ATOM 249 CA HIS A 15 -1.029 12.708 -2.318 1.00 0.00 C ATOM 250 C HIS A 15 0.099 13.662 -2.721 1.00 0.00 C ATOM 251 O HIS A 15 0.739 13.484 -3.740 1.00 0.00 O ATOM 252 CB HIS A 15 -0.456 11.387 -1.806 1.00 0.00 C ATOM 253 CG HIS A 15 -1.437 10.752 -0.860 1.00 0.00 C ATOM 254 ND1 HIS A 15 -1.542 11.139 0.467 1.00 0.00 N ATOM 255 CD2 HIS A 15 -2.368 9.758 -1.035 1.00 0.00 C ATOM 256 CE1 HIS A 15 -2.504 10.388 1.034 1.00 0.00 C ATOM 257 NE2 HIS A 15 -3.040 9.530 0.162 1.00 0.00 N ATOM 0 H HIS A 15 -1.371 11.747 -4.194 1.00 0.00 H new ATOM 0 HA HIS A 15 -1.619 13.218 -1.557 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -0.254 10.717 -2.642 1.00 0.00 H new ATOM 0 HB3 HIS A 15 0.494 11.561 -1.300 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -2.551 9.233 -1.961 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -2.806 10.469 2.068 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -3.783 8.853 0.336 1.00 0.00 H new ATOM 266 N LYS A 16 0.373 14.647 -1.903 1.00 0.00 N ATOM 267 CA LYS A 16 1.491 15.591 -2.204 1.00 0.00 C ATOM 268 C LYS A 16 2.122 16.092 -0.901 1.00 0.00 C ATOM 269 O LYS A 16 1.929 17.226 -0.502 1.00 0.00 O ATOM 270 CB LYS A 16 0.839 16.746 -2.967 1.00 0.00 C ATOM 271 CG LYS A 16 0.980 16.509 -4.471 1.00 0.00 C ATOM 272 CD LYS A 16 2.444 16.680 -4.881 1.00 0.00 C ATOM 273 CE LYS A 16 2.683 18.122 -5.335 1.00 0.00 C ATOM 274 NZ LYS A 16 3.929 18.067 -6.148 1.00 0.00 N ATOM 0 H LYS A 16 -0.131 14.838 -1.037 1.00 0.00 H new ATOM 0 HA LYS A 16 2.287 15.121 -2.782 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -0.214 16.825 -2.698 1.00 0.00 H new ATOM 0 HB3 LYS A 16 1.310 17.690 -2.691 1.00 0.00 H new ATOM 0 HG2 LYS A 16 0.635 15.507 -4.726 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.353 17.211 -5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.098 16.438 -4.043 1.00 0.00 H new ATOM 0 HD3 LYS A 16 2.690 15.988 -5.687 1.00 0.00 H new ATOM 0 HE2 LYS A 16 1.844 18.495 -5.923 1.00 0.00 H new ATOM 0 HE3 LYS A 16 2.797 18.791 -4.482 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 4.159 19.020 -6.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.712 17.715 -5.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 3.788 17.428 -6.956 1.00 0.00 H new ATOM 288 N ASP A 17 2.906 15.264 -0.256 1.00 0.00 N ATOM 289 CA ASP A 17 3.588 15.695 1.000 1.00 0.00 C ATOM 290 C ASP A 17 5.116 15.662 0.812 1.00 0.00 C ATOM 291 O ASP A 17 5.616 15.963 -0.256 1.00 0.00 O ATOM 292 CB ASP A 17 3.117 14.692 2.068 1.00 0.00 C ATOM 293 CG ASP A 17 3.606 13.277 1.732 1.00 0.00 C ATOM 294 OD1 ASP A 17 3.860 13.012 0.569 1.00 0.00 O ATOM 295 OD2 ASP A 17 3.714 12.481 2.651 1.00 0.00 O ATOM 0 H ASP A 17 3.103 14.306 -0.547 1.00 0.00 H new ATOM 0 HA ASP A 17 3.344 16.718 1.287 1.00 0.00 H new ATOM 0 HB2 ASP A 17 3.494 14.990 3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 17 2.029 14.702 2.129 1.00 0.00 H new ATOM 300 N SER A 18 5.856 15.300 1.833 1.00 0.00 N ATOM 301 CA SER A 18 7.347 15.247 1.705 1.00 0.00 C ATOM 302 C SER A 18 7.774 14.068 0.820 1.00 0.00 C ATOM 303 O SER A 18 8.501 13.190 1.246 1.00 0.00 O ATOM 304 CB SER A 18 7.866 15.062 3.132 1.00 0.00 C ATOM 305 OG SER A 18 7.067 14.095 3.800 1.00 0.00 O ATOM 0 H SER A 18 5.492 15.039 2.749 1.00 0.00 H new ATOM 0 HA SER A 18 7.746 16.148 1.239 1.00 0.00 H new ATOM 0 HB2 SER A 18 8.907 14.740 3.114 1.00 0.00 H new ATOM 0 HB3 SER A 18 7.835 16.010 3.669 1.00 0.00 H new ATOM 0 HG SER A 18 7.398 13.973 4.714 1.00 0.00 H new ATOM 311 N LYS A 19 7.393 14.087 -0.437 1.00 0.00 N ATOM 312 CA LYS A 19 7.842 13.021 -1.397 1.00 0.00 C ATOM 313 C LYS A 19 7.553 11.616 -0.852 1.00 0.00 C ATOM 314 O LYS A 19 8.154 10.646 -1.277 1.00 0.00 O ATOM 315 CB LYS A 19 9.349 13.226 -1.541 1.00 0.00 C ATOM 316 CG LYS A 19 9.888 12.314 -2.646 1.00 0.00 C ATOM 317 CD LYS A 19 11.170 12.915 -3.225 1.00 0.00 C ATOM 318 CE LYS A 19 10.824 13.800 -4.424 1.00 0.00 C ATOM 319 NZ LYS A 19 10.986 12.917 -5.613 1.00 0.00 N ATOM 0 H LYS A 19 6.786 14.799 -0.843 1.00 0.00 H new ATOM 0 HA LYS A 19 7.314 13.097 -2.348 1.00 0.00 H new ATOM 0 HB2 LYS A 19 9.563 14.268 -1.779 1.00 0.00 H new ATOM 0 HB3 LYS A 19 9.848 13.005 -0.597 1.00 0.00 H new ATOM 0 HG2 LYS A 19 10.088 11.320 -2.246 1.00 0.00 H new ATOM 0 HG3 LYS A 19 9.142 12.197 -3.432 1.00 0.00 H new ATOM 0 HD2 LYS A 19 11.685 13.501 -2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 19 11.851 12.120 -3.531 1.00 0.00 H new ATOM 0 HE2 LYS A 19 9.806 14.182 -4.352 1.00 0.00 H new ATOM 0 HE3 LYS A 19 11.486 14.664 -4.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 10.766 13.453 -6.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 11.967 12.574 -5.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 10.339 12.107 -5.534 1.00 0.00 H new ATOM 333 N SER A 20 6.613 11.495 0.049 1.00 0.00 N ATOM 334 CA SER A 20 6.252 10.144 0.581 1.00 0.00 C ATOM 335 C SER A 20 5.682 9.272 -0.540 1.00 0.00 C ATOM 336 O SER A 20 5.513 9.719 -1.659 1.00 0.00 O ATOM 337 CB SER A 20 5.190 10.400 1.650 1.00 0.00 C ATOM 338 OG SER A 20 4.794 9.163 2.226 1.00 0.00 O ATOM 0 H SER A 20 6.079 12.271 0.440 1.00 0.00 H new ATOM 0 HA SER A 20 7.117 9.620 0.988 1.00 0.00 H new ATOM 0 HB2 SER A 20 5.585 11.063 2.420 1.00 0.00 H new ATOM 0 HB3 SER A 20 4.328 10.901 1.210 1.00 0.00 H new ATOM 0 HG SER A 20 3.914 9.264 2.646 1.00 0.00 H new ATOM 344 N THR A 21 5.344 8.044 -0.235 1.00 0.00 N ATOM 345 CA THR A 21 4.734 7.152 -1.268 1.00 0.00 C ATOM 346 C THR A 21 3.623 6.301 -0.646 1.00 0.00 C ATOM 347 O THR A 21 3.866 5.496 0.235 1.00 0.00 O ATOM 348 CB THR A 21 5.886 6.267 -1.766 1.00 0.00 C ATOM 349 OG1 THR A 21 5.396 5.374 -2.755 1.00 0.00 O ATOM 350 CG2 THR A 21 6.478 5.466 -0.601 1.00 0.00 C ATOM 0 H THR A 21 5.464 7.621 0.685 1.00 0.00 H new ATOM 0 HA THR A 21 4.278 7.716 -2.082 1.00 0.00 H new ATOM 0 HB THR A 21 6.665 6.899 -2.192 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.129 4.808 -3.077 1.00 0.00 H new ATOM 0 HG21 THR A 21 7.294 4.842 -0.966 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.857 6.152 0.157 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.705 4.834 -0.164 1.00 0.00 H new ATOM 358 N TRP A 22 2.417 6.436 -1.135 1.00 0.00 N ATOM 359 CA TRP A 22 1.297 5.596 -0.617 1.00 0.00 C ATOM 360 C TRP A 22 1.135 4.344 -1.483 1.00 0.00 C ATOM 361 O TRP A 22 0.297 4.293 -2.363 1.00 0.00 O ATOM 362 CB TRP A 22 0.054 6.480 -0.713 1.00 0.00 C ATOM 363 CG TRP A 22 -0.088 7.278 0.543 1.00 0.00 C ATOM 364 CD1 TRP A 22 0.896 8.013 1.112 1.00 0.00 C ATOM 365 CD2 TRP A 22 -1.260 7.434 1.394 1.00 0.00 C ATOM 366 NE1 TRP A 22 0.401 8.610 2.258 1.00 0.00 N ATOM 367 CE2 TRP A 22 -0.923 8.284 2.474 1.00 0.00 C ATOM 368 CE3 TRP A 22 -2.570 6.926 1.335 1.00 0.00 C ATOM 369 CZ2 TRP A 22 -1.852 8.618 3.460 1.00 0.00 C ATOM 370 CZ3 TRP A 22 -3.508 7.260 2.325 1.00 0.00 C ATOM 371 CH2 TRP A 22 -3.150 8.104 3.385 1.00 0.00 C ATOM 0 H TRP A 22 2.160 7.093 -1.872 1.00 0.00 H new ATOM 0 HA TRP A 22 1.474 5.258 0.404 1.00 0.00 H new ATOM 0 HB2 TRP A 22 0.134 7.146 -1.572 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -0.832 5.864 -0.868 1.00 0.00 H new ATOM 0 HD1 TRP A 22 1.902 8.116 0.734 1.00 0.00 H new ATOM 0 HE1 TRP A 22 0.948 9.217 2.869 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -2.857 6.275 0.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -1.571 9.269 4.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.511 6.864 2.269 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.876 8.357 4.143 1.00 0.00 H new ATOM 382 N VAL A 23 1.898 3.317 -1.202 1.00 0.00 N ATOM 383 CA VAL A 23 1.755 2.042 -1.967 1.00 0.00 C ATOM 384 C VAL A 23 0.554 1.259 -1.431 1.00 0.00 C ATOM 385 O VAL A 23 0.022 1.571 -0.382 1.00 0.00 O ATOM 386 CB VAL A 23 3.059 1.276 -1.719 1.00 0.00 C ATOM 387 CG1 VAL A 23 3.025 -0.059 -2.466 1.00 0.00 C ATOM 388 CG2 VAL A 23 4.244 2.105 -2.224 1.00 0.00 C ATOM 0 H VAL A 23 2.614 3.307 -0.475 1.00 0.00 H new ATOM 0 HA VAL A 23 1.587 2.206 -3.031 1.00 0.00 H new ATOM 0 HB VAL A 23 3.168 1.092 -0.650 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.954 -0.600 -2.287 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.184 -0.654 -2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.913 0.125 -3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.171 1.560 -2.047 1.00 0.00 H new ATOM 0 HG22 VAL A 23 4.130 2.290 -3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.276 3.056 -1.692 1.00 0.00 H new ATOM 398 N ILE A 24 0.129 0.243 -2.138 1.00 0.00 N ATOM 399 CA ILE A 24 -1.036 -0.564 -1.662 1.00 0.00 C ATOM 400 C ILE A 24 -0.722 -2.060 -1.755 1.00 0.00 C ATOM 401 O ILE A 24 -0.217 -2.540 -2.753 1.00 0.00 O ATOM 402 CB ILE A 24 -2.193 -0.192 -2.597 1.00 0.00 C ATOM 403 CG1 ILE A 24 -2.462 1.314 -2.507 1.00 0.00 C ATOM 404 CG2 ILE A 24 -3.455 -0.956 -2.184 1.00 0.00 C ATOM 405 CD1 ILE A 24 -1.702 2.036 -3.622 1.00 0.00 C ATOM 0 H ILE A 24 0.537 -0.062 -3.022 1.00 0.00 H new ATOM 0 HA ILE A 24 -1.278 -0.359 -0.619 1.00 0.00 H new ATOM 0 HB ILE A 24 -1.926 -0.455 -3.620 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -3.531 1.509 -2.595 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.148 1.693 -1.534 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -4.276 -0.690 -2.850 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -3.269 -2.028 -2.248 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -3.720 -0.694 -1.159 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -1.893 3.107 -3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -0.633 1.851 -3.513 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -2.037 1.665 -4.590 1.00 0.00 H new ATOM 417 N LEU A 25 -1.087 -2.803 -0.746 1.00 0.00 N ATOM 418 CA LEU A 25 -0.896 -4.282 -0.779 1.00 0.00 C ATOM 419 C LEU A 25 -2.231 -4.960 -1.117 1.00 0.00 C ATOM 420 O LEU A 25 -3.095 -4.360 -1.729 1.00 0.00 O ATOM 421 CB LEU A 25 -0.431 -4.649 0.641 1.00 0.00 C ATOM 422 CG LEU A 25 0.914 -5.392 0.593 1.00 0.00 C ATOM 423 CD1 LEU A 25 0.771 -6.683 -0.216 1.00 0.00 C ATOM 424 CD2 LEU A 25 1.977 -4.498 -0.055 1.00 0.00 C ATOM 0 H LEU A 25 -1.514 -2.445 0.109 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.175 -4.605 -1.530 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.332 -3.745 1.242 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.181 -5.274 1.125 1.00 0.00 H new ATOM 0 HG LEU A 25 1.218 -5.638 1.610 1.00 0.00 H new ATOM 0 HD11 LEU A 25 1.729 -7.202 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 25 0.024 -7.325 0.252 1.00 0.00 H new ATOM 0 HD13 LEU A 25 0.458 -6.443 -1.232 1.00 0.00 H new ATOM 0 HD21 LEU A 25 2.929 -5.029 -0.087 1.00 0.00 H new ATOM 0 HD22 LEU A 25 1.669 -4.244 -1.069 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.090 -3.585 0.530 1.00 0.00 H new ATOM 436 N HIS A 26 -2.428 -6.181 -0.680 1.00 0.00 N ATOM 437 CA HIS A 26 -3.736 -6.873 -0.929 1.00 0.00 C ATOM 438 C HIS A 26 -4.915 -6.009 -0.446 1.00 0.00 C ATOM 439 O HIS A 26 -6.021 -6.132 -0.939 1.00 0.00 O ATOM 440 CB HIS A 26 -3.664 -8.183 -0.131 1.00 0.00 C ATOM 441 CG HIS A 26 -3.441 -7.889 1.330 1.00 0.00 C ATOM 442 ND1 HIS A 26 -4.487 -7.610 2.196 1.00 0.00 N ATOM 443 CD2 HIS A 26 -2.298 -7.827 2.090 1.00 0.00 C ATOM 444 CE1 HIS A 26 -3.958 -7.396 3.415 1.00 0.00 C ATOM 445 NE2 HIS A 26 -2.628 -7.515 3.406 1.00 0.00 N ATOM 0 H HIS A 26 -1.741 -6.729 -0.162 1.00 0.00 H new ATOM 0 HA HIS A 26 -3.898 -7.053 -1.992 1.00 0.00 H new ATOM 0 HB2 HIS A 26 -4.588 -8.747 -0.259 1.00 0.00 H new ATOM 0 HB3 HIS A 26 -2.855 -8.806 -0.512 1.00 0.00 H new ATOM 0 HD1 HIS A 26 -5.477 -7.574 1.954 1.00 0.00 H new ATOM 0 HD2 HIS A 26 -1.296 -7.995 1.723 1.00 0.00 H new ATOM 0 HE1 HIS A 26 -4.539 -7.157 4.294 1.00 0.00 H new ATOM 453 N HIS A 27 -4.675 -5.111 0.479 1.00 0.00 N ATOM 454 CA HIS A 27 -5.769 -4.207 0.952 1.00 0.00 C ATOM 455 C HIS A 27 -5.201 -3.064 1.805 1.00 0.00 C ATOM 456 O HIS A 27 -5.651 -1.936 1.719 1.00 0.00 O ATOM 457 CB HIS A 27 -6.681 -5.099 1.797 1.00 0.00 C ATOM 458 CG HIS A 27 -7.943 -4.354 2.140 1.00 0.00 C ATOM 459 ND1 HIS A 27 -8.810 -4.789 3.131 1.00 0.00 N ATOM 460 CD2 HIS A 27 -8.500 -3.204 1.635 1.00 0.00 C ATOM 461 CE1 HIS A 27 -9.831 -3.914 3.190 1.00 0.00 C ATOM 462 NE2 HIS A 27 -9.691 -2.929 2.299 1.00 0.00 N ATOM 0 H HIS A 27 -3.770 -4.966 0.926 1.00 0.00 H new ATOM 0 HA HIS A 27 -6.299 -3.742 0.121 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -6.923 -6.010 1.250 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -6.166 -5.401 2.709 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -8.077 -2.604 0.843 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -10.662 -3.998 3.874 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -10.322 -2.144 2.140 1.00 0.00 H new ATOM 470 N LYS A 28 -4.221 -3.350 2.625 1.00 0.00 N ATOM 471 CA LYS A 28 -3.621 -2.281 3.487 1.00 0.00 C ATOM 472 C LYS A 28 -2.902 -1.233 2.630 1.00 0.00 C ATOM 473 O LYS A 28 -2.242 -1.558 1.661 1.00 0.00 O ATOM 474 CB LYS A 28 -2.619 -3.008 4.387 1.00 0.00 C ATOM 475 CG LYS A 28 -3.374 -3.814 5.446 1.00 0.00 C ATOM 476 CD LYS A 28 -2.578 -5.074 5.793 1.00 0.00 C ATOM 477 CE LYS A 28 -3.463 -6.033 6.592 1.00 0.00 C ATOM 478 NZ LYS A 28 -3.154 -5.742 8.020 1.00 0.00 N ATOM 0 H LYS A 28 -3.809 -4.277 2.736 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.381 -1.751 4.061 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -1.992 -3.670 3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.956 -2.288 4.867 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -3.525 -3.209 6.340 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -4.362 -4.086 5.075 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.229 -5.559 4.881 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.694 -4.810 6.373 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.519 -5.869 6.375 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -3.244 -7.072 6.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -3.928 -6.090 8.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -2.268 -6.217 8.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.049 -4.716 8.150 1.00 0.00 H new ATOM 492 N VAL A 29 -2.962 0.016 3.032 1.00 0.00 N ATOM 493 CA VAL A 29 -2.211 1.081 2.301 1.00 0.00 C ATOM 494 C VAL A 29 -0.861 1.313 2.981 1.00 0.00 C ATOM 495 O VAL A 29 -0.749 1.252 4.190 1.00 0.00 O ATOM 496 CB VAL A 29 -3.095 2.330 2.394 1.00 0.00 C ATOM 497 CG1 VAL A 29 -2.409 3.506 1.693 1.00 0.00 C ATOM 498 CG2 VAL A 29 -4.439 2.055 1.716 1.00 0.00 C ATOM 0 H VAL A 29 -3.500 0.341 3.835 1.00 0.00 H new ATOM 0 HA VAL A 29 -2.006 0.816 1.264 1.00 0.00 H new ATOM 0 HB VAL A 29 -3.255 2.577 3.444 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -3.042 4.391 1.763 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -1.451 3.707 2.173 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -2.245 3.259 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -5.068 2.943 1.782 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.273 1.804 0.668 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.934 1.222 2.214 1.00 0.00 H new ATOM 508 N TYR A 30 0.174 1.511 2.205 1.00 0.00 N ATOM 509 CA TYR A 30 1.535 1.667 2.796 1.00 0.00 C ATOM 510 C TYR A 30 2.063 3.090 2.601 1.00 0.00 C ATOM 511 O TYR A 30 2.276 3.531 1.487 1.00 0.00 O ATOM 512 CB TYR A 30 2.407 0.680 2.021 1.00 0.00 C ATOM 513 CG TYR A 30 2.240 -0.706 2.589 1.00 0.00 C ATOM 514 CD1 TYR A 30 0.984 -1.324 2.574 1.00 0.00 C ATOM 515 CD2 TYR A 30 3.342 -1.374 3.130 1.00 0.00 C ATOM 516 CE1 TYR A 30 0.831 -2.608 3.102 1.00 0.00 C ATOM 517 CE2 TYR A 30 3.189 -2.660 3.657 1.00 0.00 C ATOM 518 CZ TYR A 30 1.934 -3.278 3.645 1.00 0.00 C ATOM 519 OH TYR A 30 1.783 -4.547 4.165 1.00 0.00 O ATOM 0 H TYR A 30 0.134 1.571 1.188 1.00 0.00 H new ATOM 0 HA TYR A 30 1.531 1.480 3.870 1.00 0.00 H new ATOM 0 HB2 TYR A 30 2.130 0.686 0.967 1.00 0.00 H new ATOM 0 HB3 TYR A 30 3.453 0.982 2.078 1.00 0.00 H new ATOM 0 HD1 TYR A 30 0.133 -0.808 2.154 1.00 0.00 H new ATOM 0 HD2 TYR A 30 4.311 -0.897 3.141 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -0.138 -3.084 3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 30 4.041 -3.177 4.074 1.00 0.00 H new ATOM 0 HH TYR A 30 2.646 -4.868 4.500 1.00 0.00 H new ATOM 529 N ASP A 31 2.435 3.739 3.674 1.00 0.00 N ATOM 530 CA ASP A 31 3.139 5.051 3.555 1.00 0.00 C ATOM 531 C ASP A 31 4.627 4.841 3.840 1.00 0.00 C ATOM 532 O ASP A 31 5.092 5.053 4.944 1.00 0.00 O ATOM 533 CB ASP A 31 2.506 5.949 4.617 1.00 0.00 C ATOM 534 CG ASP A 31 3.060 7.369 4.482 1.00 0.00 C ATOM 535 OD1 ASP A 31 2.504 8.129 3.707 1.00 0.00 O ATOM 536 OD2 ASP A 31 4.029 7.672 5.157 1.00 0.00 O ATOM 0 H ASP A 31 2.281 3.416 4.629 1.00 0.00 H new ATOM 0 HA ASP A 31 3.049 5.493 2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 31 1.422 5.958 4.502 1.00 0.00 H new ATOM 0 HB3 ASP A 31 2.718 5.558 5.612 1.00 0.00 H new ATOM 541 N LEU A 32 5.352 4.341 2.874 1.00 0.00 N ATOM 542 CA LEU A 32 6.795 4.010 3.100 1.00 0.00 C ATOM 543 C LEU A 32 7.669 5.250 2.889 1.00 0.00 C ATOM 544 O LEU A 32 8.646 5.213 2.165 1.00 0.00 O ATOM 545 CB LEU A 32 7.142 2.926 2.061 1.00 0.00 C ATOM 546 CG LEU A 32 6.071 1.814 2.053 1.00 0.00 C ATOM 547 CD1 LEU A 32 5.333 1.821 0.711 1.00 0.00 C ATOM 548 CD2 LEU A 32 6.732 0.446 2.261 1.00 0.00 C ATOM 0 H LEU A 32 5.008 4.146 1.934 1.00 0.00 H new ATOM 0 HA LEU A 32 6.972 3.664 4.118 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.215 3.375 1.070 1.00 0.00 H new ATOM 0 HB3 LEU A 32 8.118 2.496 2.288 1.00 0.00 H new ATOM 0 HG LEU A 32 5.364 1.998 2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 32 4.577 1.035 0.707 1.00 0.00 H new ATOM 0 HD12 LEU A 32 4.852 2.788 0.565 1.00 0.00 H new ATOM 0 HD13 LEU A 32 6.044 1.644 -0.096 1.00 0.00 H new ATOM 0 HD21 LEU A 32 5.968 -0.332 2.254 1.00 0.00 H new ATOM 0 HD22 LEU A 32 7.446 0.261 1.458 1.00 0.00 H new ATOM 0 HD23 LEU A 32 7.252 0.435 3.219 1.00 0.00 H new ATOM 560 N THR A 33 7.360 6.330 3.563 1.00 0.00 N ATOM 561 CA THR A 33 8.208 7.557 3.452 1.00 0.00 C ATOM 562 C THR A 33 9.566 7.332 4.127 1.00 0.00 C ATOM 563 O THR A 33 10.552 7.952 3.773 1.00 0.00 O ATOM 564 CB THR A 33 7.421 8.663 4.170 1.00 0.00 C ATOM 565 OG1 THR A 33 8.166 9.871 4.128 1.00 0.00 O ATOM 566 CG2 THR A 33 7.168 8.271 5.631 1.00 0.00 C ATOM 0 H THR A 33 6.557 6.415 4.186 1.00 0.00 H new ATOM 0 HA THR A 33 8.413 7.818 2.414 1.00 0.00 H new ATOM 0 HB THR A 33 6.463 8.800 3.669 1.00 0.00 H new ATOM 0 HG1 THR A 33 7.666 10.580 4.584 1.00 0.00 H new ATOM 0 HG21 THR A 33 6.609 9.064 6.129 1.00 0.00 H new ATOM 0 HG22 THR A 33 6.593 7.345 5.665 1.00 0.00 H new ATOM 0 HG23 THR A 33 8.121 8.125 6.139 1.00 0.00 H new ATOM 574 N LYS A 34 9.631 6.427 5.073 1.00 0.00 N ATOM 575 CA LYS A 34 10.931 6.131 5.747 1.00 0.00 C ATOM 576 C LYS A 34 11.774 5.180 4.891 1.00 0.00 C ATOM 577 O LYS A 34 12.989 5.182 4.965 1.00 0.00 O ATOM 578 CB LYS A 34 10.549 5.461 7.068 1.00 0.00 C ATOM 579 CG LYS A 34 10.511 6.509 8.183 1.00 0.00 C ATOM 580 CD LYS A 34 11.932 6.992 8.476 1.00 0.00 C ATOM 581 CE LYS A 34 11.946 7.769 9.795 1.00 0.00 C ATOM 582 NZ LYS A 34 13.068 8.738 9.659 1.00 0.00 N ATOM 0 H LYS A 34 8.837 5.880 5.407 1.00 0.00 H new ATOM 0 HA LYS A 34 11.527 7.031 5.900 1.00 0.00 H new ATOM 0 HB2 LYS A 34 9.576 4.979 6.975 1.00 0.00 H new ATOM 0 HB3 LYS A 34 11.269 4.680 7.313 1.00 0.00 H new ATOM 0 HG2 LYS A 34 9.884 7.349 7.886 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.067 6.083 9.083 1.00 0.00 H new ATOM 0 HD2 LYS A 34 12.611 6.142 8.535 1.00 0.00 H new ATOM 0 HD3 LYS A 34 12.286 7.627 7.664 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.999 8.282 9.961 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.100 7.103 10.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.141 9.308 10.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.957 8.220 9.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.890 9.363 8.847 1.00 0.00 H new ATOM 596 N PHE A 35 11.141 4.385 4.064 1.00 0.00 N ATOM 597 CA PHE A 35 11.904 3.453 3.180 1.00 0.00 C ATOM 598 C PHE A 35 12.260 4.145 1.861 1.00 0.00 C ATOM 599 O PHE A 35 13.300 3.894 1.281 1.00 0.00 O ATOM 600 CB PHE A 35 10.953 2.280 2.934 1.00 0.00 C ATOM 601 CG PHE A 35 11.648 1.228 2.101 1.00 0.00 C ATOM 602 CD1 PHE A 35 12.869 0.691 2.525 1.00 0.00 C ATOM 603 CD2 PHE A 35 11.069 0.791 0.904 1.00 0.00 C ATOM 604 CE1 PHE A 35 13.511 -0.283 1.750 1.00 0.00 C ATOM 605 CE2 PHE A 35 11.710 -0.183 0.129 1.00 0.00 C ATOM 606 CZ PHE A 35 12.932 -0.720 0.553 1.00 0.00 C ATOM 0 H PHE A 35 10.127 4.342 3.964 1.00 0.00 H new ATOM 0 HA PHE A 35 12.843 3.130 3.629 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.633 1.853 3.884 1.00 0.00 H new ATOM 0 HB3 PHE A 35 10.055 2.628 2.423 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.316 1.027 3.449 1.00 0.00 H new ATOM 0 HD2 PHE A 35 10.127 1.206 0.578 1.00 0.00 H new ATOM 0 HE1 PHE A 35 14.454 -0.697 2.076 1.00 0.00 H new ATOM 0 HE2 PHE A 35 11.263 -0.520 -0.795 1.00 0.00 H new ATOM 0 HZ PHE A 35 13.428 -1.471 -0.044 1.00 0.00 H new ATOM 616 N LEU A 36 11.417 5.035 1.403 1.00 0.00 N ATOM 617 CA LEU A 36 11.715 5.776 0.137 1.00 0.00 C ATOM 618 C LEU A 36 13.012 6.580 0.281 1.00 0.00 C ATOM 619 O LEU A 36 13.701 6.837 -0.689 1.00 0.00 O ATOM 620 CB LEU A 36 10.525 6.714 -0.072 1.00 0.00 C ATOM 621 CG LEU A 36 10.269 6.889 -1.569 1.00 0.00 C ATOM 622 CD1 LEU A 36 8.986 7.696 -1.779 1.00 0.00 C ATOM 623 CD2 LEU A 36 11.448 7.633 -2.203 1.00 0.00 C ATOM 0 H LEU A 36 10.534 5.282 1.850 1.00 0.00 H new ATOM 0 HA LEU A 36 11.853 5.100 -0.707 1.00 0.00 H new ATOM 0 HB2 LEU A 36 9.638 6.307 0.414 1.00 0.00 H new ATOM 0 HB3 LEU A 36 10.726 7.681 0.389 1.00 0.00 H new ATOM 0 HG LEU A 36 10.161 5.910 -2.035 1.00 0.00 H new ATOM 0 HD11 LEU A 36 8.805 7.820 -2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.146 7.168 -1.327 1.00 0.00 H new ATOM 0 HD13 LEU A 36 9.092 8.676 -1.313 1.00 0.00 H new ATOM 0 HD21 LEU A 36 11.267 7.759 -3.271 1.00 0.00 H new ATOM 0 HD22 LEU A 36 11.555 8.612 -1.735 1.00 0.00 H new ATOM 0 HD23 LEU A 36 12.363 7.059 -2.055 1.00 0.00 H new ATOM 635 N GLU A 37 13.363 6.953 1.487 1.00 0.00 N ATOM 636 CA GLU A 37 14.633 7.713 1.703 1.00 0.00 C ATOM 637 C GLU A 37 15.743 6.782 2.207 1.00 0.00 C ATOM 638 O GLU A 37 16.916 7.057 2.037 1.00 0.00 O ATOM 639 CB GLU A 37 14.296 8.777 2.755 1.00 0.00 C ATOM 640 CG GLU A 37 13.809 8.111 4.047 1.00 0.00 C ATOM 641 CD GLU A 37 13.906 9.108 5.202 1.00 0.00 C ATOM 642 OE1 GLU A 37 13.480 10.238 5.022 1.00 0.00 O ATOM 643 OE2 GLU A 37 14.404 8.726 6.249 1.00 0.00 O ATOM 0 H GLU A 37 12.824 6.764 2.332 1.00 0.00 H new ATOM 0 HA GLU A 37 15.000 8.160 0.779 1.00 0.00 H new ATOM 0 HB2 GLU A 37 15.176 9.386 2.961 1.00 0.00 H new ATOM 0 HB3 GLU A 37 13.527 9.447 2.371 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.779 7.774 3.929 1.00 0.00 H new ATOM 0 HG3 GLU A 37 14.411 7.228 4.263 1.00 0.00 H new ATOM 650 N GLU A 38 15.382 5.671 2.803 1.00 0.00 N ATOM 651 CA GLU A 38 16.417 4.708 3.292 1.00 0.00 C ATOM 652 C GLU A 38 16.944 3.860 2.131 1.00 0.00 C ATOM 653 O GLU A 38 18.083 3.433 2.134 1.00 0.00 O ATOM 654 CB GLU A 38 15.692 3.829 4.312 1.00 0.00 C ATOM 655 CG GLU A 38 15.878 4.414 5.713 1.00 0.00 C ATOM 656 CD GLU A 38 15.801 3.291 6.750 1.00 0.00 C ATOM 657 OE1 GLU A 38 16.750 2.529 6.841 1.00 0.00 O ATOM 658 OE2 GLU A 38 14.795 3.212 7.435 1.00 0.00 O ATOM 0 H GLU A 38 14.416 5.390 2.972 1.00 0.00 H new ATOM 0 HA GLU A 38 17.277 5.215 3.729 1.00 0.00 H new ATOM 0 HB2 GLU A 38 14.631 3.770 4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 38 16.084 2.813 4.276 1.00 0.00 H new ATOM 0 HG2 GLU A 38 16.840 4.922 5.782 1.00 0.00 H new ATOM 0 HG3 GLU A 38 15.109 5.160 5.912 1.00 0.00 H new ATOM 665 N HIS A 39 16.137 3.649 1.123 1.00 0.00 N ATOM 666 CA HIS A 39 16.600 2.870 -0.064 1.00 0.00 C ATOM 667 C HIS A 39 16.345 3.666 -1.355 1.00 0.00 C ATOM 668 O HIS A 39 15.357 3.443 -2.026 1.00 0.00 O ATOM 669 CB HIS A 39 15.765 1.589 -0.047 1.00 0.00 C ATOM 670 CG HIS A 39 16.262 0.683 1.044 1.00 0.00 C ATOM 671 ND1 HIS A 39 16.077 0.972 2.387 1.00 0.00 N ATOM 672 CD2 HIS A 39 16.939 -0.512 1.008 1.00 0.00 C ATOM 673 CE1 HIS A 39 16.632 -0.026 3.098 1.00 0.00 C ATOM 674 NE2 HIS A 39 17.171 -0.957 2.306 1.00 0.00 N ATOM 0 H HIS A 39 15.175 3.984 1.071 1.00 0.00 H new ATOM 0 HA HIS A 39 17.669 2.659 -0.029 1.00 0.00 H new ATOM 0 HB2 HIS A 39 14.714 1.829 0.115 1.00 0.00 H new ATOM 0 HB3 HIS A 39 15.832 1.086 -1.011 1.00 0.00 H new ATOM 0 HD2 HIS A 39 17.245 -1.027 0.109 1.00 0.00 H new ATOM 0 HE1 HIS A 39 16.641 -0.069 4.177 1.00 0.00 H new ATOM 0 HE2 HIS A 39 17.650 -1.811 2.591 1.00 0.00 H new ATOM 682 N PRO A 40 17.246 4.578 -1.670 1.00 0.00 N ATOM 683 CA PRO A 40 17.096 5.406 -2.901 1.00 0.00 C ATOM 684 C PRO A 40 16.888 4.521 -4.137 1.00 0.00 C ATOM 685 O PRO A 40 17.834 4.127 -4.794 1.00 0.00 O ATOM 686 CB PRO A 40 18.425 6.154 -2.997 1.00 0.00 C ATOM 687 CG PRO A 40 18.947 6.190 -1.597 1.00 0.00 C ATOM 688 CD PRO A 40 18.470 4.930 -0.927 1.00 0.00 C ATOM 0 HA PRO A 40 16.233 6.070 -2.857 1.00 0.00 H new ATOM 0 HB2 PRO A 40 19.119 5.643 -3.664 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.285 7.160 -3.393 1.00 0.00 H new ATOM 0 HG2 PRO A 40 20.036 6.244 -1.591 1.00 0.00 H new ATOM 0 HG3 PRO A 40 18.581 7.071 -1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 40 19.216 4.138 -0.987 1.00 0.00 H new ATOM 0 HD3 PRO A 40 18.263 5.093 0.131 1.00 0.00 H new ATOM 696 N GLY A 41 15.655 4.242 -4.476 1.00 0.00 N ATOM 697 CA GLY A 41 15.373 3.423 -5.692 1.00 0.00 C ATOM 698 C GLY A 41 14.709 4.300 -6.755 1.00 0.00 C ATOM 699 O GLY A 41 14.950 4.144 -7.938 1.00 0.00 O ATOM 0 H GLY A 41 14.829 4.548 -3.961 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.299 3.000 -6.081 1.00 0.00 H new ATOM 0 HA3 GLY A 41 14.722 2.586 -5.437 1.00 0.00 H new ATOM 703 N GLY A 42 13.903 5.244 -6.338 1.00 0.00 N ATOM 704 CA GLY A 42 13.252 6.166 -7.315 1.00 0.00 C ATOM 705 C GLY A 42 11.743 6.185 -7.070 1.00 0.00 C ATOM 706 O GLY A 42 10.984 5.580 -7.799 1.00 0.00 O ATOM 0 H GLY A 42 13.668 5.415 -5.360 1.00 0.00 H new ATOM 0 HA2 GLY A 42 13.661 7.171 -7.211 1.00 0.00 H new ATOM 0 HA3 GLY A 42 13.462 5.841 -8.334 1.00 0.00 H new ATOM 710 N GLU A 43 11.305 6.912 -6.069 1.00 0.00 N ATOM 711 CA GLU A 43 9.838 7.029 -5.775 1.00 0.00 C ATOM 712 C GLU A 43 9.205 5.639 -5.575 1.00 0.00 C ATOM 713 O GLU A 43 9.119 5.155 -4.462 1.00 0.00 O ATOM 714 CB GLU A 43 9.228 7.757 -6.981 1.00 0.00 C ATOM 715 CG GLU A 43 9.748 9.195 -7.026 1.00 0.00 C ATOM 716 CD GLU A 43 9.399 9.823 -8.376 1.00 0.00 C ATOM 717 OE1 GLU A 43 8.266 9.668 -8.804 1.00 0.00 O ATOM 718 OE2 GLU A 43 10.269 10.448 -8.960 1.00 0.00 O ATOM 0 H GLU A 43 11.908 7.436 -5.435 1.00 0.00 H new ATOM 0 HA GLU A 43 9.654 7.578 -4.851 1.00 0.00 H new ATOM 0 HB2 GLU A 43 9.487 7.236 -7.903 1.00 0.00 H new ATOM 0 HB3 GLU A 43 8.140 7.754 -6.909 1.00 0.00 H new ATOM 0 HG2 GLU A 43 9.307 9.778 -6.217 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.828 9.207 -6.876 1.00 0.00 H new ATOM 725 N GLU A 44 8.789 4.984 -6.634 1.00 0.00 N ATOM 726 CA GLU A 44 8.196 3.617 -6.492 1.00 0.00 C ATOM 727 C GLU A 44 9.276 2.608 -6.081 1.00 0.00 C ATOM 728 O GLU A 44 9.687 1.773 -6.864 1.00 0.00 O ATOM 729 CB GLU A 44 7.627 3.275 -7.876 1.00 0.00 C ATOM 730 CG GLU A 44 8.744 3.306 -8.930 1.00 0.00 C ATOM 731 CD GLU A 44 8.247 4.021 -10.190 1.00 0.00 C ATOM 732 OE1 GLU A 44 7.654 3.360 -11.026 1.00 0.00 O ATOM 733 OE2 GLU A 44 8.469 5.216 -10.296 1.00 0.00 O ATOM 0 H GLU A 44 8.835 5.338 -7.590 1.00 0.00 H new ATOM 0 HA GLU A 44 7.425 3.582 -5.722 1.00 0.00 H new ATOM 0 HB2 GLU A 44 7.165 2.288 -7.854 1.00 0.00 H new ATOM 0 HB3 GLU A 44 6.846 3.987 -8.142 1.00 0.00 H new ATOM 0 HG2 GLU A 44 9.619 3.819 -8.531 1.00 0.00 H new ATOM 0 HG3 GLU A 44 9.054 2.290 -9.175 1.00 0.00 H new ATOM 740 N VAL A 45 9.709 2.661 -4.846 1.00 0.00 N ATOM 741 CA VAL A 45 10.734 1.684 -4.363 1.00 0.00 C ATOM 742 C VAL A 45 10.103 0.305 -4.121 1.00 0.00 C ATOM 743 O VAL A 45 10.789 -0.701 -4.114 1.00 0.00 O ATOM 744 CB VAL A 45 11.274 2.270 -3.053 1.00 0.00 C ATOM 745 CG1 VAL A 45 11.934 3.621 -3.335 1.00 0.00 C ATOM 746 CG2 VAL A 45 10.133 2.466 -2.048 1.00 0.00 C ATOM 0 H VAL A 45 9.397 3.339 -4.151 1.00 0.00 H new ATOM 0 HA VAL A 45 11.526 1.538 -5.097 1.00 0.00 H new ATOM 0 HB VAL A 45 12.005 1.579 -2.632 1.00 0.00 H new ATOM 0 HG11 VAL A 45 12.319 4.039 -2.405 1.00 0.00 H new ATOM 0 HG12 VAL A 45 12.755 3.485 -4.039 1.00 0.00 H new ATOM 0 HG13 VAL A 45 11.199 4.303 -3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 45 10.531 2.883 -1.123 1.00 0.00 H new ATOM 0 HG22 VAL A 45 9.394 3.150 -2.465 1.00 0.00 H new ATOM 0 HG23 VAL A 45 9.662 1.505 -1.840 1.00 0.00 H new ATOM 756 N LEU A 46 8.803 0.246 -3.951 1.00 0.00 N ATOM 757 CA LEU A 46 8.130 -1.073 -3.746 1.00 0.00 C ATOM 758 C LEU A 46 7.584 -1.606 -5.074 1.00 0.00 C ATOM 759 O LEU A 46 6.561 -2.262 -5.114 1.00 0.00 O ATOM 760 CB LEU A 46 6.986 -0.785 -2.771 1.00 0.00 C ATOM 761 CG LEU A 46 7.383 -1.231 -1.362 1.00 0.00 C ATOM 762 CD1 LEU A 46 8.199 -0.128 -0.687 1.00 0.00 C ATOM 763 CD2 LEU A 46 6.122 -1.508 -0.541 1.00 0.00 C ATOM 0 H LEU A 46 8.181 1.054 -3.946 1.00 0.00 H new ATOM 0 HA LEU A 46 8.814 -1.829 -3.362 1.00 0.00 H new ATOM 0 HB2 LEU A 46 6.753 0.280 -2.773 1.00 0.00 H new ATOM 0 HB3 LEU A 46 6.085 -1.309 -3.088 1.00 0.00 H new ATOM 0 HG LEU A 46 7.983 -2.139 -1.425 1.00 0.00 H new ATOM 0 HD11 LEU A 46 8.481 -0.447 0.316 1.00 0.00 H new ATOM 0 HD12 LEU A 46 9.098 0.069 -1.271 1.00 0.00 H new ATOM 0 HD13 LEU A 46 7.600 0.781 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 46 6.404 -1.826 0.463 1.00 0.00 H new ATOM 0 HD22 LEU A 46 5.521 -0.600 -0.479 1.00 0.00 H new ATOM 0 HD23 LEU A 46 5.541 -2.295 -1.021 1.00 0.00 H new ATOM 775 N ARG A 47 8.289 -1.373 -6.157 1.00 0.00 N ATOM 776 CA ARG A 47 7.855 -1.910 -7.490 1.00 0.00 C ATOM 777 C ARG A 47 6.395 -1.537 -7.781 1.00 0.00 C ATOM 778 O ARG A 47 5.587 -2.378 -8.125 1.00 0.00 O ATOM 779 CB ARG A 47 8.009 -3.430 -7.384 1.00 0.00 C ATOM 780 CG ARG A 47 9.480 -3.779 -7.143 1.00 0.00 C ATOM 781 CD ARG A 47 9.813 -5.101 -7.840 1.00 0.00 C ATOM 782 NE ARG A 47 11.258 -4.990 -8.204 1.00 0.00 N ATOM 783 CZ ARG A 47 11.656 -4.244 -9.215 1.00 0.00 C ATOM 784 NH1 ARG A 47 10.809 -3.530 -9.920 1.00 0.00 N ATOM 785 NH2 ARG A 47 12.924 -4.214 -9.523 1.00 0.00 N ATOM 0 H ARG A 47 9.152 -0.830 -6.176 1.00 0.00 H new ATOM 0 HA ARG A 47 8.450 -1.495 -8.303 1.00 0.00 H new ATOM 0 HB2 ARG A 47 7.395 -3.812 -6.568 1.00 0.00 H new ATOM 0 HB3 ARG A 47 7.656 -3.907 -8.299 1.00 0.00 H new ATOM 0 HG2 ARG A 47 10.120 -2.984 -7.524 1.00 0.00 H new ATOM 0 HG3 ARG A 47 9.675 -3.860 -6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 47 9.636 -5.951 -7.181 1.00 0.00 H new ATOM 0 HD3 ARG A 47 9.193 -5.249 -8.724 1.00 0.00 H new ATOM 0 HE ARG A 47 11.951 -5.502 -7.658 1.00 0.00 H new ATOM 0 HH11 ARG A 47 9.815 -3.544 -9.690 1.00 0.00 H new ATOM 0 HH12 ARG A 47 11.145 -2.961 -10.697 1.00 0.00 H new ATOM 0 HH21 ARG A 47 13.593 -4.764 -8.984 1.00 0.00 H new ATOM 0 HH22 ARG A 47 13.246 -3.641 -10.303 1.00 0.00 H new ATOM 799 N GLU A 48 6.065 -0.270 -7.685 1.00 0.00 N ATOM 800 CA GLU A 48 4.670 0.189 -7.998 1.00 0.00 C ATOM 801 C GLU A 48 3.640 -0.618 -7.195 1.00 0.00 C ATOM 802 O GLU A 48 3.959 -1.207 -6.179 1.00 0.00 O ATOM 803 CB GLU A 48 4.492 -0.050 -9.502 1.00 0.00 C ATOM 804 CG GLU A 48 3.657 1.083 -10.104 1.00 0.00 C ATOM 805 CD GLU A 48 2.928 0.575 -11.348 1.00 0.00 C ATOM 806 OE1 GLU A 48 1.865 -0.003 -11.194 1.00 0.00 O ATOM 807 OE2 GLU A 48 3.446 0.771 -12.436 1.00 0.00 O ATOM 0 H GLU A 48 6.705 0.472 -7.402 1.00 0.00 H new ATOM 0 HA GLU A 48 4.519 1.236 -7.734 1.00 0.00 H new ATOM 0 HB2 GLU A 48 5.465 -0.098 -9.991 1.00 0.00 H new ATOM 0 HB3 GLU A 48 4.001 -1.008 -9.673 1.00 0.00 H new ATOM 0 HG2 GLU A 48 2.937 1.447 -9.371 1.00 0.00 H new ATOM 0 HG3 GLU A 48 4.300 1.924 -10.364 1.00 0.00 H new ATOM 814 N GLN A 49 2.420 -0.680 -7.668 1.00 0.00 N ATOM 815 CA GLN A 49 1.378 -1.485 -6.963 1.00 0.00 C ATOM 816 C GLN A 49 0.452 -2.163 -7.979 1.00 0.00 C ATOM 817 O GLN A 49 0.493 -1.873 -9.159 1.00 0.00 O ATOM 818 CB GLN A 49 0.601 -0.478 -6.104 1.00 0.00 C ATOM 819 CG GLN A 49 -0.023 0.605 -6.994 1.00 0.00 C ATOM 820 CD GLN A 49 0.049 1.959 -6.283 1.00 0.00 C ATOM 821 OE1 GLN A 49 -0.939 2.660 -6.184 1.00 0.00 O ATOM 822 NE2 GLN A 49 1.185 2.360 -5.782 1.00 0.00 N ATOM 0 H GLN A 49 2.101 -0.207 -8.513 1.00 0.00 H new ATOM 0 HA GLN A 49 1.813 -2.279 -6.356 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -0.179 -0.993 -5.543 1.00 0.00 H new ATOM 0 HB3 GLN A 49 1.268 -0.020 -5.374 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.504 0.655 -7.947 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -1.060 0.354 -7.216 1.00 0.00 H new ATOM 0 HE21 GLN A 49 2.015 1.772 -5.865 1.00 0.00 H new ATOM 0 HE22 GLN A 49 1.243 3.261 -5.308 1.00 0.00 H new ATOM 831 N ALA A 50 -0.409 -3.042 -7.520 1.00 0.00 N ATOM 832 CA ALA A 50 -1.379 -3.724 -8.440 1.00 0.00 C ATOM 833 C ALA A 50 -0.644 -4.381 -9.614 1.00 0.00 C ATOM 834 O ALA A 50 0.565 -4.297 -9.726 1.00 0.00 O ATOM 835 CB ALA A 50 -2.315 -2.619 -8.941 1.00 0.00 C ATOM 0 H ALA A 50 -0.482 -3.318 -6.541 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.926 -4.517 -7.930 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -3.052 -3.047 -9.620 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.825 -2.162 -8.093 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.734 -1.861 -9.466 1.00 0.00 H new ATOM 841 N GLY A 51 -1.372 -5.003 -10.507 1.00 0.00 N ATOM 842 CA GLY A 51 -0.731 -5.631 -11.701 1.00 0.00 C ATOM 843 C GLY A 51 0.214 -6.745 -11.246 1.00 0.00 C ATOM 844 O GLY A 51 0.158 -7.195 -10.117 1.00 0.00 O ATOM 0 H GLY A 51 -2.386 -5.103 -10.460 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.494 -6.036 -12.366 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -0.180 -4.881 -12.268 1.00 0.00 H new ATOM 848 N GLY A 52 1.104 -7.166 -12.108 1.00 0.00 N ATOM 849 CA GLY A 52 2.089 -8.219 -11.722 1.00 0.00 C ATOM 850 C GLY A 52 1.348 -9.518 -11.399 1.00 0.00 C ATOM 851 O GLY A 52 0.172 -9.656 -11.679 1.00 0.00 O ATOM 0 H GLY A 52 1.191 -6.824 -13.065 1.00 0.00 H new ATOM 0 HA2 GLY A 52 2.797 -8.384 -12.534 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.666 -7.892 -10.857 1.00 0.00 H new ATOM 855 N ASP A 53 2.020 -10.456 -10.780 1.00 0.00 N ATOM 856 CA ASP A 53 1.352 -11.735 -10.395 1.00 0.00 C ATOM 857 C ASP A 53 1.751 -12.131 -8.970 1.00 0.00 C ATOM 858 O ASP A 53 2.914 -12.122 -8.618 1.00 0.00 O ATOM 859 CB ASP A 53 1.860 -12.766 -11.402 1.00 0.00 C ATOM 860 CG ASP A 53 0.912 -12.820 -12.602 1.00 0.00 C ATOM 861 OD1 ASP A 53 0.435 -11.770 -13.001 1.00 0.00 O ATOM 862 OD2 ASP A 53 0.680 -13.909 -13.100 1.00 0.00 O ATOM 0 H ASP A 53 3.005 -10.390 -10.524 1.00 0.00 H new ATOM 0 HA ASP A 53 0.265 -11.655 -10.409 1.00 0.00 H new ATOM 0 HB2 ASP A 53 2.865 -12.503 -11.731 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.925 -13.747 -10.932 1.00 0.00 H new ATOM 867 N ALA A 54 0.793 -12.519 -8.161 1.00 0.00 N ATOM 868 CA ALA A 54 1.102 -12.966 -6.761 1.00 0.00 C ATOM 869 C ALA A 54 1.935 -11.911 -6.023 1.00 0.00 C ATOM 870 O ALA A 54 2.229 -10.857 -6.556 1.00 0.00 O ATOM 871 CB ALA A 54 1.896 -14.266 -6.915 1.00 0.00 C ATOM 0 H ALA A 54 -0.196 -12.546 -8.410 1.00 0.00 H new ATOM 0 HA ALA A 54 0.194 -13.111 -6.176 1.00 0.00 H new ATOM 0 HB1 ALA A 54 2.157 -14.652 -5.930 1.00 0.00 H new ATOM 0 HB2 ALA A 54 1.290 -15.002 -7.444 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.807 -14.071 -7.481 1.00 0.00 H new ATOM 877 N THR A 55 2.348 -12.207 -4.817 1.00 0.00 N ATOM 878 CA THR A 55 3.202 -11.247 -4.054 1.00 0.00 C ATOM 879 C THR A 55 4.236 -12.006 -3.215 1.00 0.00 C ATOM 880 O THR A 55 4.367 -11.784 -2.026 1.00 0.00 O ATOM 881 CB THR A 55 2.231 -10.473 -3.151 1.00 0.00 C ATOM 882 OG1 THR A 55 2.964 -9.548 -2.360 1.00 0.00 O ATOM 883 CG2 THR A 55 1.477 -11.442 -2.235 1.00 0.00 C ATOM 0 H THR A 55 2.130 -13.074 -4.327 1.00 0.00 H new ATOM 0 HA THR A 55 3.759 -10.580 -4.712 1.00 0.00 H new ATOM 0 HB THR A 55 1.511 -9.940 -3.773 1.00 0.00 H new ATOM 0 HG1 THR A 55 3.672 -10.021 -1.875 1.00 0.00 H new ATOM 0 HG21 THR A 55 0.791 -10.882 -1.599 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.913 -12.151 -2.841 1.00 0.00 H new ATOM 0 HG23 THR A 55 2.190 -11.983 -1.612 1.00 0.00 H new ATOM 891 N GLU A 56 4.996 -12.871 -3.838 1.00 0.00 N ATOM 892 CA GLU A 56 6.056 -13.617 -3.095 1.00 0.00 C ATOM 893 C GLU A 56 7.446 -13.127 -3.519 1.00 0.00 C ATOM 894 O GLU A 56 7.652 -12.718 -4.645 1.00 0.00 O ATOM 895 CB GLU A 56 5.858 -15.089 -3.478 1.00 0.00 C ATOM 896 CG GLU A 56 5.976 -15.259 -4.996 1.00 0.00 C ATOM 897 CD GLU A 56 6.151 -16.741 -5.332 1.00 0.00 C ATOM 898 OE1 GLU A 56 5.258 -17.510 -5.016 1.00 0.00 O ATOM 899 OE2 GLU A 56 7.176 -17.082 -5.900 1.00 0.00 O ATOM 0 H GLU A 56 4.928 -13.093 -4.831 1.00 0.00 H new ATOM 0 HA GLU A 56 5.985 -13.469 -2.017 1.00 0.00 H new ATOM 0 HB2 GLU A 56 6.603 -15.707 -2.976 1.00 0.00 H new ATOM 0 HB3 GLU A 56 4.880 -15.432 -3.141 1.00 0.00 H new ATOM 0 HG2 GLU A 56 5.085 -14.867 -5.487 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.825 -14.687 -5.372 1.00 0.00 H new ATOM 906 N ASN A 57 8.410 -13.203 -2.631 1.00 0.00 N ATOM 907 CA ASN A 57 9.810 -12.786 -2.975 1.00 0.00 C ATOM 908 C ASN A 57 9.826 -11.366 -3.557 1.00 0.00 C ATOM 909 O ASN A 57 10.310 -11.137 -4.651 1.00 0.00 O ATOM 910 CB ASN A 57 10.292 -13.801 -4.017 1.00 0.00 C ATOM 911 CG ASN A 57 11.777 -14.093 -3.794 1.00 0.00 C ATOM 912 OD1 ASN A 57 12.589 -13.110 -3.516 1.00 0.00 O flip ATOM 913 ND2 ASN A 57 12.204 -15.227 -3.876 1.00 0.00 N flip ATOM 0 H ASN A 57 8.287 -13.538 -1.676 1.00 0.00 H new ATOM 0 HA ASN A 57 10.454 -12.770 -2.096 1.00 0.00 H new ATOM 0 HB2 ASN A 57 9.713 -14.721 -3.939 1.00 0.00 H new ATOM 0 HB3 ASN A 57 10.134 -13.410 -5.022 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.570 -15.996 -4.093 1.00 0.00 H new ATOM 0 HD22 ASN A 57 13.196 -15.410 -3.728 1.00 0.00 H new ATOM 920 N PHE A 58 9.333 -10.407 -2.813 1.00 0.00 N ATOM 921 CA PHE A 58 9.354 -8.991 -3.294 1.00 0.00 C ATOM 922 C PHE A 58 10.087 -8.099 -2.286 1.00 0.00 C ATOM 923 O PHE A 58 10.746 -8.580 -1.387 1.00 0.00 O ATOM 924 CB PHE A 58 7.881 -8.583 -3.418 1.00 0.00 C ATOM 925 CG PHE A 58 7.184 -8.725 -2.081 1.00 0.00 C ATOM 926 CD1 PHE A 58 6.577 -9.938 -1.734 1.00 0.00 C ATOM 927 CD2 PHE A 58 7.148 -7.644 -1.191 1.00 0.00 C ATOM 928 CE1 PHE A 58 5.934 -10.069 -0.497 1.00 0.00 C ATOM 929 CE2 PHE A 58 6.505 -7.776 0.044 1.00 0.00 C ATOM 930 CZ PHE A 58 5.898 -8.989 0.392 1.00 0.00 C ATOM 0 H PHE A 58 8.916 -10.544 -1.892 1.00 0.00 H new ATOM 0 HA PHE A 58 9.879 -8.887 -4.244 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.810 -7.552 -3.766 1.00 0.00 H new ATOM 0 HB3 PHE A 58 7.385 -9.206 -4.163 1.00 0.00 H new ATOM 0 HD1 PHE A 58 6.605 -10.772 -2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 58 7.617 -6.709 -1.458 1.00 0.00 H new ATOM 0 HE1 PHE A 58 5.465 -11.004 -0.229 1.00 0.00 H new ATOM 0 HE2 PHE A 58 6.477 -6.942 0.730 1.00 0.00 H new ATOM 0 HZ PHE A 58 5.402 -9.091 1.346 1.00 0.00 H new ATOM 940 N GLU A 59 9.939 -6.801 -2.411 1.00 0.00 N ATOM 941 CA GLU A 59 10.585 -5.849 -1.448 1.00 0.00 C ATOM 942 C GLU A 59 12.108 -6.070 -1.400 1.00 0.00 C ATOM 943 O GLU A 59 12.848 -5.434 -2.126 1.00 0.00 O ATOM 944 CB GLU A 59 9.935 -6.124 -0.083 1.00 0.00 C ATOM 945 CG GLU A 59 8.764 -5.160 0.130 1.00 0.00 C ATOM 946 CD GLU A 59 9.258 -3.912 0.864 1.00 0.00 C ATOM 947 OE1 GLU A 59 10.109 -4.054 1.726 1.00 0.00 O ATOM 948 OE2 GLU A 59 8.775 -2.836 0.553 1.00 0.00 O ATOM 0 H GLU A 59 9.392 -6.355 -3.147 1.00 0.00 H new ATOM 0 HA GLU A 59 10.438 -4.812 -1.749 1.00 0.00 H new ATOM 0 HB2 GLU A 59 9.584 -7.155 -0.037 1.00 0.00 H new ATOM 0 HB3 GLU A 59 10.670 -6.002 0.713 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.329 -4.882 -0.830 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.978 -5.647 0.707 1.00 0.00 H new ATOM 955 N ASP A 60 12.579 -6.986 -0.585 1.00 0.00 N ATOM 956 CA ASP A 60 14.046 -7.265 -0.534 1.00 0.00 C ATOM 957 C ASP A 60 14.342 -8.649 -1.120 1.00 0.00 C ATOM 958 O ASP A 60 13.658 -9.613 -0.830 1.00 0.00 O ATOM 959 CB ASP A 60 14.406 -7.225 0.952 1.00 0.00 C ATOM 960 CG ASP A 60 15.844 -6.733 1.117 1.00 0.00 C ATOM 961 OD1 ASP A 60 16.683 -7.143 0.333 1.00 0.00 O ATOM 962 OD2 ASP A 60 16.081 -5.952 2.024 1.00 0.00 O ATOM 0 H ASP A 60 12.009 -7.550 0.045 1.00 0.00 H new ATOM 0 HA ASP A 60 14.623 -6.544 -1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 60 13.722 -6.565 1.485 1.00 0.00 H new ATOM 0 HB3 ASP A 60 14.298 -8.217 1.390 1.00 0.00 H new ATOM 967 N VAL A 61 15.378 -8.756 -1.912 1.00 0.00 N ATOM 968 CA VAL A 61 15.753 -10.083 -2.488 1.00 0.00 C ATOM 969 C VAL A 61 17.234 -10.082 -2.897 1.00 0.00 C ATOM 970 O VAL A 61 17.647 -10.815 -3.775 1.00 0.00 O ATOM 971 CB VAL A 61 14.837 -10.256 -3.706 1.00 0.00 C ATOM 972 CG1 VAL A 61 15.091 -9.135 -4.719 1.00 0.00 C ATOM 973 CG2 VAL A 61 15.109 -11.610 -4.367 1.00 0.00 C ATOM 0 H VAL A 61 15.982 -7.980 -2.185 1.00 0.00 H new ATOM 0 HA VAL A 61 15.631 -10.900 -1.777 1.00 0.00 H new ATOM 0 HB VAL A 61 13.799 -10.212 -3.376 1.00 0.00 H new ATOM 0 HG11 VAL A 61 14.436 -9.267 -5.580 1.00 0.00 H new ATOM 0 HG12 VAL A 61 14.888 -8.171 -4.253 1.00 0.00 H new ATOM 0 HG13 VAL A 61 16.130 -9.168 -5.046 1.00 0.00 H new ATOM 0 HG21 VAL A 61 14.457 -11.730 -5.232 1.00 0.00 H new ATOM 0 HG22 VAL A 61 16.150 -11.656 -4.688 1.00 0.00 H new ATOM 0 HG23 VAL A 61 14.914 -12.410 -3.652 1.00 0.00 H new ATOM 983 N GLY A 62 18.039 -9.290 -2.232 1.00 0.00 N ATOM 984 CA GLY A 62 19.499 -9.269 -2.540 1.00 0.00 C ATOM 985 C GLY A 62 20.209 -8.305 -1.587 1.00 0.00 C ATOM 986 O GLY A 62 20.885 -7.387 -2.011 1.00 0.00 O ATOM 0 H GLY A 62 17.745 -8.657 -1.488 1.00 0.00 H new ATOM 0 HA2 GLY A 62 19.917 -10.271 -2.439 1.00 0.00 H new ATOM 0 HA3 GLY A 62 19.659 -8.960 -3.573 1.00 0.00 H new ATOM 990 N HIS A 63 20.091 -8.533 -0.305 1.00 0.00 N ATOM 991 CA HIS A 63 20.791 -7.661 0.685 1.00 0.00 C ATOM 992 C HIS A 63 21.622 -8.514 1.648 1.00 0.00 C ATOM 993 O HIS A 63 21.850 -8.141 2.782 1.00 0.00 O ATOM 994 CB HIS A 63 19.672 -6.940 1.438 1.00 0.00 C ATOM 995 CG HIS A 63 20.194 -5.639 1.986 1.00 0.00 C ATOM 996 ND1 HIS A 63 21.417 -5.546 2.631 1.00 0.00 N ATOM 997 CD2 HIS A 63 19.670 -4.371 1.992 1.00 0.00 C ATOM 998 CE1 HIS A 63 21.587 -4.263 2.996 1.00 0.00 C ATOM 999 NE2 HIS A 63 20.552 -3.503 2.630 1.00 0.00 N ATOM 0 H HIS A 63 19.538 -9.288 0.101 1.00 0.00 H new ATOM 0 HA HIS A 63 21.477 -6.962 0.207 1.00 0.00 H new ATOM 0 HB2 HIS A 63 18.831 -6.754 0.770 1.00 0.00 H new ATOM 0 HB3 HIS A 63 19.303 -7.567 2.250 1.00 0.00 H new ATOM 0 HD1 HIS A 63 22.070 -6.312 2.798 1.00 0.00 H new ATOM 0 HD2 HIS A 63 18.718 -4.089 1.567 1.00 0.00 H new ATOM 0 HE1 HIS A 63 22.455 -3.892 3.521 1.00 0.00 H new ATOM 1007 N SER A 64 22.111 -9.642 1.187 1.00 0.00 N ATOM 1008 CA SER A 64 22.973 -10.518 2.049 1.00 0.00 C ATOM 1009 C SER A 64 22.278 -10.823 3.382 1.00 0.00 C ATOM 1010 O SER A 64 22.922 -11.096 4.378 1.00 0.00 O ATOM 1011 CB SER A 64 24.258 -9.721 2.284 1.00 0.00 C ATOM 1012 OG SER A 64 25.134 -9.906 1.180 1.00 0.00 O ATOM 0 H SER A 64 21.949 -9.996 0.244 1.00 0.00 H new ATOM 0 HA SER A 64 23.172 -11.478 1.573 1.00 0.00 H new ATOM 0 HB2 SER A 64 24.026 -8.663 2.406 1.00 0.00 H new ATOM 0 HB3 SER A 64 24.740 -10.050 3.205 1.00 0.00 H new ATOM 0 HG SER A 64 25.957 -9.395 1.327 1.00 0.00 H new ATOM 1018 N THR A 65 20.969 -10.816 3.392 1.00 0.00 N ATOM 1019 CA THR A 65 20.222 -11.146 4.644 1.00 0.00 C ATOM 1020 C THR A 65 18.736 -11.360 4.335 1.00 0.00 C ATOM 1021 O THR A 65 18.289 -11.146 3.224 1.00 0.00 O ATOM 1022 CB THR A 65 20.418 -9.934 5.563 1.00 0.00 C ATOM 1023 OG1 THR A 65 19.721 -10.151 6.781 1.00 0.00 O ATOM 1024 CG2 THR A 65 19.883 -8.666 4.888 1.00 0.00 C ATOM 0 H THR A 65 20.384 -10.596 2.586 1.00 0.00 H new ATOM 0 HA THR A 65 20.582 -12.064 5.108 1.00 0.00 H new ATOM 0 HB THR A 65 21.482 -9.807 5.763 1.00 0.00 H new ATOM 0 HG1 THR A 65 19.846 -9.379 7.371 1.00 0.00 H new ATOM 0 HG21 THR A 65 20.028 -7.812 5.550 1.00 0.00 H new ATOM 0 HG22 THR A 65 20.420 -8.496 3.955 1.00 0.00 H new ATOM 0 HG23 THR A 65 18.820 -8.786 4.678 1.00 0.00 H new ATOM 1032 N ASP A 66 17.967 -11.744 5.322 1.00 0.00 N ATOM 1033 CA ASP A 66 16.499 -11.931 5.106 1.00 0.00 C ATOM 1034 C ASP A 66 15.779 -12.071 6.452 1.00 0.00 C ATOM 1035 O ASP A 66 14.951 -12.942 6.633 1.00 0.00 O ATOM 1036 CB ASP A 66 16.373 -13.221 4.285 1.00 0.00 C ATOM 1037 CG ASP A 66 17.008 -14.392 5.043 1.00 0.00 C ATOM 1038 OD1 ASP A 66 18.206 -14.581 4.905 1.00 0.00 O ATOM 1039 OD2 ASP A 66 16.285 -15.079 5.747 1.00 0.00 O ATOM 0 H ASP A 66 18.292 -11.936 6.269 1.00 0.00 H new ATOM 0 HA ASP A 66 16.047 -11.082 4.593 1.00 0.00 H new ATOM 0 HB2 ASP A 66 15.323 -13.433 4.086 1.00 0.00 H new ATOM 0 HB3 ASP A 66 16.862 -13.095 3.319 1.00 0.00 H new ATOM 1044 N ALA A 67 16.064 -11.192 7.379 1.00 0.00 N ATOM 1045 CA ALA A 67 15.369 -11.238 8.700 1.00 0.00 C ATOM 1046 C ALA A 67 14.066 -10.436 8.641 1.00 0.00 C ATOM 1047 O ALA A 67 14.062 -9.263 8.320 1.00 0.00 O ATOM 1048 CB ALA A 67 16.348 -10.596 9.684 1.00 0.00 C ATOM 0 H ALA A 67 16.749 -10.443 7.277 1.00 0.00 H new ATOM 0 HA ALA A 67 15.104 -12.254 8.992 1.00 0.00 H new ATOM 0 HB1 ALA A 67 15.910 -10.591 10.682 1.00 0.00 H new ATOM 0 HB2 ALA A 67 17.277 -11.167 9.698 1.00 0.00 H new ATOM 0 HB3 ALA A 67 16.556 -9.572 9.374 1.00 0.00 H new ATOM 1054 N ARG A 68 12.960 -11.054 8.986 1.00 0.00 N ATOM 1055 CA ARG A 68 11.644 -10.331 8.997 1.00 0.00 C ATOM 1056 C ARG A 68 11.390 -9.642 7.651 1.00 0.00 C ATOM 1057 O ARG A 68 12.102 -9.862 6.689 1.00 0.00 O ATOM 1058 CB ARG A 68 11.758 -9.295 10.119 1.00 0.00 C ATOM 1059 CG ARG A 68 11.840 -10.010 11.470 1.00 0.00 C ATOM 1060 CD ARG A 68 12.692 -9.184 12.436 1.00 0.00 C ATOM 1061 NE ARG A 68 13.478 -10.190 13.213 1.00 0.00 N ATOM 1062 CZ ARG A 68 12.909 -10.947 14.131 1.00 0.00 C ATOM 1063 NH1 ARG A 68 11.620 -10.882 14.374 1.00 0.00 N ATOM 1064 NH2 ARG A 68 13.646 -11.780 14.815 1.00 0.00 N ATOM 0 H ARG A 68 12.911 -12.035 9.262 1.00 0.00 H new ATOM 0 HA ARG A 68 10.811 -11.015 9.159 1.00 0.00 H new ATOM 0 HB2 ARG A 68 12.643 -8.677 9.969 1.00 0.00 H new ATOM 0 HB3 ARG A 68 10.896 -8.628 10.101 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.840 -10.150 11.880 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.274 -11.002 11.343 1.00 0.00 H new ATOM 0 HD2 ARG A 68 13.348 -8.500 11.898 1.00 0.00 H new ATOM 0 HD3 ARG A 68 12.069 -8.577 13.093 1.00 0.00 H new ATOM 0 HE ARG A 68 14.476 -10.293 13.029 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.034 -10.235 13.847 1.00 0.00 H new ATOM 0 HH12 ARG A 68 11.205 -11.479 15.090 1.00 0.00 H new ATOM 0 HH21 ARG A 68 14.648 -11.839 14.636 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.219 -12.371 15.528 1.00 0.00 H new ATOM 1078 N GLU A 69 10.405 -8.782 7.592 1.00 0.00 N ATOM 1079 CA GLU A 69 10.124 -8.041 6.326 1.00 0.00 C ATOM 1080 C GLU A 69 9.877 -6.560 6.624 1.00 0.00 C ATOM 1081 O GLU A 69 9.487 -6.195 7.717 1.00 0.00 O ATOM 1082 CB GLU A 69 8.862 -8.692 5.758 1.00 0.00 C ATOM 1083 CG GLU A 69 9.229 -10.016 5.086 1.00 0.00 C ATOM 1084 CD GLU A 69 8.011 -10.943 5.085 1.00 0.00 C ATOM 1085 OE1 GLU A 69 7.265 -10.910 6.049 1.00 0.00 O ATOM 1086 OE2 GLU A 69 7.846 -11.669 4.118 1.00 0.00 O ATOM 0 H GLU A 69 9.782 -8.561 8.369 1.00 0.00 H new ATOM 0 HA GLU A 69 10.958 -8.089 5.625 1.00 0.00 H new ATOM 0 HB2 GLU A 69 8.139 -8.865 6.555 1.00 0.00 H new ATOM 0 HB3 GLU A 69 8.389 -8.025 5.037 1.00 0.00 H new ATOM 0 HG2 GLU A 69 9.564 -9.837 4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.057 -10.487 5.615 1.00 0.00 H new ATOM 1093 N LEU A 70 10.065 -5.711 5.645 1.00 0.00 N ATOM 1094 CA LEU A 70 9.801 -4.254 5.847 1.00 0.00 C ATOM 1095 C LEU A 70 8.313 -3.948 5.645 1.00 0.00 C ATOM 1096 O LEU A 70 7.787 -3.008 6.211 1.00 0.00 O ATOM 1097 CB LEU A 70 10.641 -3.548 4.782 1.00 0.00 C ATOM 1098 CG LEU A 70 11.186 -2.237 5.351 1.00 0.00 C ATOM 1099 CD1 LEU A 70 12.577 -2.475 5.942 1.00 0.00 C ATOM 1100 CD2 LEU A 70 11.281 -1.197 4.231 1.00 0.00 C ATOM 0 H LEU A 70 10.391 -5.965 4.712 1.00 0.00 H new ATOM 0 HA LEU A 70 10.057 -3.926 6.854 1.00 0.00 H new ATOM 0 HB2 LEU A 70 11.463 -4.190 4.467 1.00 0.00 H new ATOM 0 HB3 LEU A 70 10.035 -3.349 3.898 1.00 0.00 H new ATOM 0 HG LEU A 70 10.517 -1.874 6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 70 12.965 -1.540 6.347 1.00 0.00 H new ATOM 0 HD12 LEU A 70 12.512 -3.217 6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 70 13.246 -2.838 5.162 1.00 0.00 H new ATOM 0 HD21 LEU A 70 11.669 -0.262 4.635 1.00 0.00 H new ATOM 0 HD22 LEU A 70 11.950 -1.562 3.452 1.00 0.00 H new ATOM 0 HD23 LEU A 70 10.291 -1.026 3.808 1.00 0.00 H new ATOM 1112 N SER A 71 7.626 -4.755 4.875 1.00 0.00 N ATOM 1113 CA SER A 71 6.161 -4.536 4.672 1.00 0.00 C ATOM 1114 C SER A 71 5.391 -4.894 5.948 1.00 0.00 C ATOM 1115 O SER A 71 4.597 -5.816 5.969 1.00 0.00 O ATOM 1116 CB SER A 71 5.766 -5.469 3.523 1.00 0.00 C ATOM 1117 OG SER A 71 6.422 -6.720 3.688 1.00 0.00 O ATOM 0 H SER A 71 8.017 -5.556 4.378 1.00 0.00 H new ATOM 0 HA SER A 71 5.930 -3.496 4.442 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.685 -5.611 3.509 1.00 0.00 H new ATOM 0 HB3 SER A 71 6.041 -5.024 2.567 1.00 0.00 H new ATOM 0 HG SER A 71 6.170 -7.320 2.956 1.00 0.00 H new ATOM 1123 N LYS A 72 5.595 -4.144 7.002 1.00 0.00 N ATOM 1124 CA LYS A 72 4.851 -4.404 8.270 1.00 0.00 C ATOM 1125 C LYS A 72 4.861 -3.154 9.155 1.00 0.00 C ATOM 1126 O LYS A 72 3.829 -2.703 9.616 1.00 0.00 O ATOM 1127 CB LYS A 72 5.610 -5.546 8.948 1.00 0.00 C ATOM 1128 CG LYS A 72 4.766 -6.111 10.092 1.00 0.00 C ATOM 1129 CD LYS A 72 3.697 -7.046 9.526 1.00 0.00 C ATOM 1130 CE LYS A 72 4.242 -8.475 9.473 1.00 0.00 C ATOM 1131 NZ LYS A 72 3.075 -9.320 9.098 1.00 0.00 N ATOM 0 H LYS A 72 6.247 -3.361 7.038 1.00 0.00 H new ATOM 0 HA LYS A 72 3.806 -4.658 8.091 1.00 0.00 H new ATOM 0 HB2 LYS A 72 5.832 -6.330 8.224 1.00 0.00 H new ATOM 0 HB3 LYS A 72 6.565 -5.186 9.330 1.00 0.00 H new ATOM 0 HG2 LYS A 72 5.401 -6.651 10.794 1.00 0.00 H new ATOM 0 HG3 LYS A 72 4.297 -5.299 10.647 1.00 0.00 H new ATOM 0 HD2 LYS A 72 2.802 -7.010 10.147 1.00 0.00 H new ATOM 0 HD3 LYS A 72 3.406 -6.720 8.528 1.00 0.00 H new ATOM 0 HE2 LYS A 72 5.045 -8.564 8.741 1.00 0.00 H new ATOM 0 HE3 LYS A 72 4.654 -8.776 10.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 3.371 -10.315 9.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 2.329 -9.221 9.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 2.708 -9.015 8.174 1.00 0.00 H new ATOM 1145 N THR A 73 6.014 -2.570 9.359 1.00 0.00 N ATOM 1146 CA THR A 73 6.095 -1.319 10.173 1.00 0.00 C ATOM 1147 C THR A 73 6.103 -0.089 9.261 1.00 0.00 C ATOM 1148 O THR A 73 6.589 0.964 9.630 1.00 0.00 O ATOM 1149 CB THR A 73 7.416 -1.428 10.936 1.00 0.00 C ATOM 1150 OG1 THR A 73 8.486 -1.561 10.010 1.00 0.00 O ATOM 1151 CG2 THR A 73 7.380 -2.650 11.856 1.00 0.00 C ATOM 0 H THR A 73 6.906 -2.907 8.996 1.00 0.00 H new ATOM 0 HA THR A 73 5.243 -1.209 10.844 1.00 0.00 H new ATOM 0 HB THR A 73 7.563 -0.530 11.536 1.00 0.00 H new ATOM 0 HG1 THR A 73 8.513 -0.775 9.426 1.00 0.00 H new ATOM 0 HG21 THR A 73 8.323 -2.725 12.398 1.00 0.00 H new ATOM 0 HG22 THR A 73 6.560 -2.547 12.566 1.00 0.00 H new ATOM 0 HG23 THR A 73 7.232 -3.550 11.260 1.00 0.00 H new ATOM 1159 N TYR A 74 5.533 -0.204 8.086 1.00 0.00 N ATOM 1160 CA TYR A 74 5.464 0.966 7.161 1.00 0.00 C ATOM 1161 C TYR A 74 4.050 1.098 6.587 1.00 0.00 C ATOM 1162 O TYR A 74 3.868 1.512 5.457 1.00 0.00 O ATOM 1163 CB TYR A 74 6.463 0.649 6.046 1.00 0.00 C ATOM 1164 CG TYR A 74 7.870 0.890 6.539 1.00 0.00 C ATOM 1165 CD1 TYR A 74 8.470 -0.016 7.422 1.00 0.00 C ATOM 1166 CD2 TYR A 74 8.578 2.020 6.111 1.00 0.00 C ATOM 1167 CE1 TYR A 74 9.774 0.208 7.877 1.00 0.00 C ATOM 1168 CE2 TYR A 74 9.883 2.244 6.564 1.00 0.00 C ATOM 1169 CZ TYR A 74 10.481 1.338 7.448 1.00 0.00 C ATOM 1170 OH TYR A 74 11.767 1.558 7.896 1.00 0.00 O ATOM 0 H TYR A 74 5.112 -1.061 7.728 1.00 0.00 H new ATOM 0 HA TYR A 74 5.697 1.905 7.663 1.00 0.00 H new ATOM 0 HB2 TYR A 74 6.351 -0.388 5.728 1.00 0.00 H new ATOM 0 HB3 TYR A 74 6.261 1.273 5.175 1.00 0.00 H new ATOM 0 HD1 TYR A 74 7.926 -0.888 7.752 1.00 0.00 H new ATOM 0 HD2 TYR A 74 8.116 2.720 5.430 1.00 0.00 H new ATOM 0 HE1 TYR A 74 10.235 -0.491 8.559 1.00 0.00 H new ATOM 0 HE2 TYR A 74 10.428 3.115 6.232 1.00 0.00 H new ATOM 0 HH TYR A 74 12.114 2.385 7.501 1.00 0.00 H new ATOM 1180 N ILE A 75 3.051 0.753 7.360 1.00 0.00 N ATOM 1181 CA ILE A 75 1.643 0.859 6.865 1.00 0.00 C ATOM 1182 C ILE A 75 0.897 1.951 7.640 1.00 0.00 C ATOM 1183 O ILE A 75 1.277 2.312 8.738 1.00 0.00 O ATOM 1184 CB ILE A 75 1.005 -0.515 7.121 1.00 0.00 C ATOM 1185 CG1 ILE A 75 1.873 -1.626 6.516 1.00 0.00 C ATOM 1186 CG2 ILE A 75 -0.376 -0.563 6.466 1.00 0.00 C ATOM 1187 CD1 ILE A 75 1.318 -2.991 6.925 1.00 0.00 C ATOM 0 H ILE A 75 3.149 0.402 8.313 1.00 0.00 H new ATOM 0 HA ILE A 75 1.602 1.125 5.809 1.00 0.00 H new ATOM 0 HB ILE A 75 0.920 -0.666 8.197 1.00 0.00 H new ATOM 0 HG12 ILE A 75 1.888 -1.539 5.430 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.903 -1.524 6.858 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.831 -1.537 6.646 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -1.008 0.217 6.892 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -0.275 -0.403 5.393 1.00 0.00 H new ATOM 0 HD11 ILE A 75 1.936 -3.779 6.494 1.00 0.00 H new ATOM 0 HD12 ILE A 75 1.326 -3.076 8.012 1.00 0.00 H new ATOM 0 HD13 ILE A 75 0.296 -3.092 6.561 1.00 0.00 H new ATOM 1199 N ILE A 76 -0.170 2.465 7.081 1.00 0.00 N ATOM 1200 CA ILE A 76 -0.959 3.523 7.788 1.00 0.00 C ATOM 1201 C ILE A 76 -2.407 3.067 8.014 1.00 0.00 C ATOM 1202 O ILE A 76 -3.025 3.421 9.000 1.00 0.00 O ATOM 1203 CB ILE A 76 -0.918 4.749 6.868 1.00 0.00 C ATOM 1204 CG1 ILE A 76 -1.460 4.386 5.477 1.00 0.00 C ATOM 1205 CG2 ILE A 76 0.525 5.236 6.738 1.00 0.00 C ATOM 1206 CD1 ILE A 76 -1.554 5.648 4.618 1.00 0.00 C ATOM 0 H ILE A 76 -0.530 2.198 6.165 1.00 0.00 H new ATOM 0 HA ILE A 76 -0.544 3.740 8.772 1.00 0.00 H new ATOM 0 HB ILE A 76 -1.538 5.536 7.297 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -0.806 3.657 4.999 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.442 3.922 5.568 1.00 0.00 H new ATOM 0 HG21 ILE A 76 0.557 6.108 6.084 1.00 0.00 H new ATOM 0 HG22 ILE A 76 0.908 5.506 7.722 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.140 4.442 6.315 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -1.939 5.389 3.632 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -2.226 6.362 5.093 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -0.564 6.093 4.516 1.00 0.00 H new ATOM 1218 N GLY A 77 -2.947 2.281 7.116 1.00 0.00 N ATOM 1219 CA GLY A 77 -4.349 1.796 7.288 1.00 0.00 C ATOM 1220 C GLY A 77 -4.749 0.946 6.082 1.00 0.00 C ATOM 1221 O GLY A 77 -3.912 0.373 5.412 1.00 0.00 O ATOM 0 H GLY A 77 -2.477 1.955 6.272 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -4.432 1.209 8.203 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -5.028 2.643 7.390 1.00 0.00 H new ATOM 1225 N GLU A 78 -6.021 0.903 5.772 1.00 0.00 N ATOM 1226 CA GLU A 78 -6.479 0.141 4.571 1.00 0.00 C ATOM 1227 C GLU A 78 -7.275 1.059 3.639 1.00 0.00 C ATOM 1228 O GLU A 78 -7.521 2.209 3.950 1.00 0.00 O ATOM 1229 CB GLU A 78 -7.376 -0.974 5.118 1.00 0.00 C ATOM 1230 CG GLU A 78 -6.633 -2.313 5.058 1.00 0.00 C ATOM 1231 CD GLU A 78 -7.465 -3.392 5.755 1.00 0.00 C ATOM 1232 OE1 GLU A 78 -8.130 -3.067 6.724 1.00 0.00 O ATOM 1233 OE2 GLU A 78 -7.421 -4.526 5.307 1.00 0.00 O ATOM 0 H GLU A 78 -6.762 1.364 6.300 1.00 0.00 H new ATOM 0 HA GLU A 78 -5.644 -0.258 3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -7.662 -0.752 6.146 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -8.296 -1.032 4.536 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -6.451 -2.593 4.021 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -5.659 -2.222 5.540 1.00 0.00 H new ATOM 1240 N LEU A 79 -7.727 0.538 2.525 1.00 0.00 N ATOM 1241 CA LEU A 79 -8.567 1.355 1.598 1.00 0.00 C ATOM 1242 C LEU A 79 -10.051 1.042 1.817 1.00 0.00 C ATOM 1243 O LEU A 79 -10.409 -0.052 2.212 1.00 0.00 O ATOM 1244 CB LEU A 79 -8.128 0.939 0.194 1.00 0.00 C ATOM 1245 CG LEU A 79 -8.733 1.896 -0.839 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -7.720 2.158 -1.955 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -9.996 1.271 -1.437 1.00 0.00 C ATOM 0 H LEU A 79 -7.550 -0.419 2.218 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.442 2.426 1.760 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.040 0.952 0.123 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.448 -0.083 -0.010 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.986 2.837 -0.351 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.154 2.839 -2.688 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.820 2.605 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.463 1.217 -2.442 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.426 1.952 -2.172 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -9.741 0.328 -1.921 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.721 1.087 -0.644 1.00 0.00 H new ATOM 1259 N HIS A 80 -10.911 1.989 1.545 1.00 0.00 N ATOM 1260 CA HIS A 80 -12.379 1.747 1.717 1.00 0.00 C ATOM 1261 C HIS A 80 -12.839 0.586 0.815 1.00 0.00 C ATOM 1262 O HIS A 80 -12.638 0.632 -0.382 1.00 0.00 O ATOM 1263 CB HIS A 80 -13.053 3.052 1.284 1.00 0.00 C ATOM 1264 CG HIS A 80 -14.363 3.205 2.006 1.00 0.00 C ATOM 1265 ND1 HIS A 80 -15.514 2.553 1.596 1.00 0.00 N ATOM 1266 CD2 HIS A 80 -14.721 3.934 3.114 1.00 0.00 C ATOM 1267 CE1 HIS A 80 -16.501 2.898 2.443 1.00 0.00 C ATOM 1268 NE2 HIS A 80 -16.072 3.738 3.387 1.00 0.00 N ATOM 0 H HIS A 80 -10.662 2.920 1.211 1.00 0.00 H new ATOM 0 HA HIS A 80 -12.631 1.476 2.742 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -12.404 3.899 1.504 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -13.218 3.048 0.207 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -14.056 4.563 3.686 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -17.517 2.539 2.368 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -16.617 4.148 4.145 1.00 0.00 H new ATOM 1276 N PRO A 81 -13.447 -0.430 1.406 1.00 0.00 N ATOM 1277 CA PRO A 81 -13.925 -1.597 0.608 1.00 0.00 C ATOM 1278 C PRO A 81 -14.819 -1.143 -0.557 1.00 0.00 C ATOM 1279 O PRO A 81 -14.942 -1.829 -1.554 1.00 0.00 O ATOM 1280 CB PRO A 81 -14.735 -2.413 1.613 1.00 0.00 C ATOM 1281 CG PRO A 81 -14.182 -2.036 2.948 1.00 0.00 C ATOM 1282 CD PRO A 81 -13.743 -0.600 2.840 1.00 0.00 C ATOM 0 HA PRO A 81 -13.106 -2.159 0.158 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -15.798 -2.181 1.546 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -14.630 -3.482 1.430 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -14.935 -2.154 3.727 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -13.343 -2.679 3.216 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -14.525 0.083 3.171 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -12.866 -0.402 3.456 1.00 0.00 H new ATOM 1290 N ASP A 82 -15.423 0.015 -0.445 1.00 0.00 N ATOM 1291 CA ASP A 82 -16.288 0.528 -1.555 1.00 0.00 C ATOM 1292 C ASP A 82 -15.482 0.644 -2.853 1.00 0.00 C ATOM 1293 O ASP A 82 -15.956 0.300 -3.919 1.00 0.00 O ATOM 1294 CB ASP A 82 -16.763 1.908 -1.095 1.00 0.00 C ATOM 1295 CG ASP A 82 -17.814 1.746 0.005 1.00 0.00 C ATOM 1296 OD1 ASP A 82 -17.676 0.831 0.799 1.00 0.00 O ATOM 1297 OD2 ASP A 82 -18.739 2.541 0.033 1.00 0.00 O ATOM 0 H ASP A 82 -15.355 0.628 0.367 1.00 0.00 H new ATOM 0 HA ASP A 82 -17.124 -0.141 -1.760 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -15.919 2.489 -0.724 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -17.184 2.459 -1.936 1.00 0.00 H new ATOM 1302 N ASP A 83 -14.253 1.083 -2.760 1.00 0.00 N ATOM 1303 CA ASP A 83 -13.391 1.176 -3.976 1.00 0.00 C ATOM 1304 C ASP A 83 -12.523 -0.080 -4.111 1.00 0.00 C ATOM 1305 O ASP A 83 -12.142 -0.464 -5.200 1.00 0.00 O ATOM 1306 CB ASP A 83 -12.516 2.409 -3.748 1.00 0.00 C ATOM 1307 CG ASP A 83 -13.218 3.644 -4.316 1.00 0.00 C ATOM 1308 OD1 ASP A 83 -13.542 3.630 -5.492 1.00 0.00 O ATOM 1309 OD2 ASP A 83 -13.420 4.584 -3.564 1.00 0.00 O ATOM 0 H ASP A 83 -13.808 1.382 -1.892 1.00 0.00 H new ATOM 0 HA ASP A 83 -13.978 1.255 -4.891 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.327 2.542 -2.683 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.547 2.275 -4.229 1.00 0.00 H new ATOM 1314 N ARG A 84 -12.239 -0.740 -3.014 1.00 0.00 N ATOM 1315 CA ARG A 84 -11.427 -1.992 -3.077 1.00 0.00 C ATOM 1316 C ARG A 84 -12.335 -3.202 -3.332 1.00 0.00 C ATOM 1317 O ARG A 84 -12.284 -3.812 -4.384 1.00 0.00 O ATOM 1318 CB ARG A 84 -10.757 -2.096 -1.704 1.00 0.00 C ATOM 1319 CG ARG A 84 -9.872 -3.345 -1.650 1.00 0.00 C ATOM 1320 CD ARG A 84 -8.720 -3.200 -2.647 1.00 0.00 C ATOM 1321 NE ARG A 84 -9.165 -3.948 -3.863 1.00 0.00 N ATOM 1322 CZ ARG A 84 -8.300 -4.375 -4.763 1.00 0.00 C ATOM 1323 NH1 ARG A 84 -7.015 -4.126 -4.654 1.00 0.00 N ATOM 1324 NH2 ARG A 84 -8.731 -5.061 -5.785 1.00 0.00 N ATOM 0 H ARG A 84 -12.536 -0.464 -2.078 1.00 0.00 H new ATOM 0 HA ARG A 84 -10.696 -1.973 -3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -10.157 -1.206 -1.514 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -11.515 -2.143 -0.922 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -9.479 -3.482 -0.642 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -10.461 -4.231 -1.886 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -8.526 -2.152 -2.877 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -7.795 -3.614 -2.245 1.00 0.00 H new ATOM 0 HE ARG A 84 -10.159 -4.132 -4.000 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.665 -3.591 -3.859 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.367 -4.468 -5.364 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.726 -5.262 -5.881 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.073 -5.397 -6.488 1.00 0.00 H new ATOM 1338 N SER A 85 -13.175 -3.538 -2.386 1.00 0.00 N ATOM 1339 CA SER A 85 -14.102 -4.694 -2.576 1.00 0.00 C ATOM 1340 C SER A 85 -15.420 -4.226 -3.201 1.00 0.00 C ATOM 1341 O SER A 85 -15.543 -3.090 -3.614 1.00 0.00 O ATOM 1342 CB SER A 85 -14.342 -5.241 -1.169 1.00 0.00 C ATOM 1343 OG SER A 85 -14.692 -6.616 -1.254 1.00 0.00 O ATOM 0 H SER A 85 -13.259 -3.060 -1.489 1.00 0.00 H new ATOM 0 HA SER A 85 -13.687 -5.448 -3.245 1.00 0.00 H new ATOM 0 HB2 SER A 85 -13.446 -5.119 -0.561 1.00 0.00 H new ATOM 0 HB3 SER A 85 -15.138 -4.681 -0.679 1.00 0.00 H new ATOM 0 HG SER A 85 -14.845 -6.971 -0.353 1.00 0.00 H new ATOM 1349 N LYS A 86 -16.408 -5.099 -3.233 1.00 0.00 N ATOM 1350 CA LYS A 86 -17.773 -4.761 -3.784 1.00 0.00 C ATOM 1351 C LYS A 86 -17.701 -3.835 -5.010 1.00 0.00 C ATOM 1352 O LYS A 86 -18.382 -2.828 -5.078 1.00 0.00 O ATOM 1353 CB LYS A 86 -18.532 -4.092 -2.627 1.00 0.00 C ATOM 1354 CG LYS A 86 -17.846 -2.788 -2.212 1.00 0.00 C ATOM 1355 CD LYS A 86 -18.817 -1.940 -1.387 1.00 0.00 C ATOM 1356 CE LYS A 86 -19.525 -0.936 -2.301 1.00 0.00 C ATOM 1357 NZ LYS A 86 -20.932 -0.899 -1.813 1.00 0.00 N ATOM 0 H LYS A 86 -16.324 -6.057 -2.892 1.00 0.00 H new ATOM 0 HA LYS A 86 -18.278 -5.660 -4.138 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -19.559 -3.888 -2.929 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -18.579 -4.771 -1.776 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -16.951 -3.005 -1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -17.525 -2.236 -3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -19.550 -2.581 -0.897 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -18.278 -1.413 -0.600 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -19.060 0.048 -2.242 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -19.477 -1.249 -3.344 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -21.482 -0.232 -2.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -21.350 -1.848 -1.888 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -20.947 -0.591 -0.820 1.00 0.00 H new ATOM 1371 N ILE A 87 -16.923 -4.204 -5.996 1.00 0.00 N ATOM 1372 CA ILE A 87 -16.849 -3.387 -7.246 1.00 0.00 C ATOM 1373 C ILE A 87 -18.056 -3.689 -8.141 1.00 0.00 C ATOM 1374 O ILE A 87 -18.527 -2.836 -8.868 1.00 0.00 O ATOM 1375 CB ILE A 87 -15.544 -3.818 -7.930 1.00 0.00 C ATOM 1376 CG1 ILE A 87 -14.350 -3.566 -6.992 1.00 0.00 C ATOM 1377 CG2 ILE A 87 -15.353 -3.030 -9.234 1.00 0.00 C ATOM 1378 CD1 ILE A 87 -14.261 -2.078 -6.625 1.00 0.00 C ATOM 0 H ILE A 87 -16.335 -5.037 -5.989 1.00 0.00 H new ATOM 0 HA ILE A 87 -16.863 -2.316 -7.044 1.00 0.00 H new ATOM 0 HB ILE A 87 -15.600 -4.882 -8.159 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -14.458 -4.164 -6.087 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -13.426 -3.883 -7.476 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -14.425 -3.341 -9.714 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -16.191 -3.225 -9.903 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -15.307 -1.964 -9.012 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -13.411 -1.917 -5.961 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -14.130 -1.487 -7.531 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -15.178 -1.772 -6.121 1.00 0.00 H new ATOM 1390 N ALA A 88 -18.581 -4.886 -8.056 1.00 0.00 N ATOM 1391 CA ALA A 88 -19.790 -5.237 -8.861 1.00 0.00 C ATOM 1392 C ALA A 88 -21.061 -4.864 -8.093 1.00 0.00 C ATOM 1393 O ALA A 88 -21.049 -4.737 -6.883 1.00 0.00 O ATOM 1394 CB ALA A 88 -19.707 -6.750 -9.060 1.00 0.00 C ATOM 0 H ALA A 88 -18.224 -5.635 -7.463 1.00 0.00 H new ATOM 0 HA ALA A 88 -19.825 -4.703 -9.811 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -20.563 -7.088 -9.645 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -18.786 -6.998 -9.588 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -19.713 -7.246 -8.089 1.00 0.00 H new ATOM 1400 N LYS A 89 -22.164 -4.725 -8.785 1.00 0.00 N ATOM 1401 CA LYS A 89 -23.450 -4.404 -8.100 1.00 0.00 C ATOM 1402 C LYS A 89 -24.529 -5.430 -8.484 1.00 0.00 C ATOM 1403 O LYS A 89 -25.267 -5.215 -9.425 1.00 0.00 O ATOM 1404 CB LYS A 89 -23.830 -3.011 -8.603 1.00 0.00 C ATOM 1405 CG LYS A 89 -22.760 -2.004 -8.180 1.00 0.00 C ATOM 1406 CD LYS A 89 -21.728 -1.854 -9.300 1.00 0.00 C ATOM 1407 CE LYS A 89 -21.064 -0.479 -9.202 1.00 0.00 C ATOM 1408 NZ LYS A 89 -20.243 -0.536 -7.960 1.00 0.00 N ATOM 0 H LYS A 89 -22.228 -4.821 -9.799 1.00 0.00 H new ATOM 0 HA LYS A 89 -23.358 -4.434 -7.014 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -23.927 -3.019 -9.689 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -24.799 -2.719 -8.198 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -23.219 -1.040 -7.963 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -22.272 -2.339 -7.264 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -20.976 -2.639 -9.223 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -22.210 -1.968 -10.271 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.445 -0.276 -10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -21.808 0.316 -9.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -19.652 0.318 -7.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -20.870 -0.588 -7.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -19.633 -1.378 -7.985 1.00 0.00 H new ATOM 1422 N PRO A 90 -24.592 -6.520 -7.743 1.00 0.00 N ATOM 1423 CA PRO A 90 -25.603 -7.580 -8.031 1.00 0.00 C ATOM 1424 C PRO A 90 -27.017 -6.986 -8.095 1.00 0.00 C ATOM 1425 O PRO A 90 -27.203 -5.791 -7.966 1.00 0.00 O ATOM 1426 CB PRO A 90 -25.476 -8.530 -6.841 1.00 0.00 C ATOM 1427 CG PRO A 90 -24.088 -8.319 -6.328 1.00 0.00 C ATOM 1428 CD PRO A 90 -23.746 -6.878 -6.590 1.00 0.00 C ATOM 0 HA PRO A 90 -25.437 -8.070 -8.990 1.00 0.00 H new ATOM 0 HB2 PRO A 90 -26.219 -8.306 -6.075 1.00 0.00 H new ATOM 0 HB3 PRO A 90 -25.632 -9.565 -7.143 1.00 0.00 H new ATOM 0 HG2 PRO A 90 -24.031 -8.543 -5.263 1.00 0.00 H new ATOM 0 HG3 PRO A 90 -23.384 -8.982 -6.831 1.00 0.00 H new ATOM 0 HD2 PRO A 90 -23.963 -6.252 -5.725 1.00 0.00 H new ATOM 0 HD3 PRO A 90 -22.687 -6.753 -6.817 1.00 0.00 H new ATOM 1436 N SER A 91 -28.012 -7.822 -8.256 1.00 0.00 N ATOM 1437 CA SER A 91 -29.419 -7.323 -8.285 1.00 0.00 C ATOM 1438 C SER A 91 -29.951 -7.160 -6.859 1.00 0.00 C ATOM 1439 O SER A 91 -29.194 -7.104 -5.909 1.00 0.00 O ATOM 1440 CB SER A 91 -30.205 -8.401 -9.031 1.00 0.00 C ATOM 1441 OG SER A 91 -30.292 -9.564 -8.218 1.00 0.00 O ATOM 0 H SER A 91 -27.909 -8.831 -8.369 1.00 0.00 H new ATOM 0 HA SER A 91 -29.503 -6.350 -8.768 1.00 0.00 H new ATOM 0 HB2 SER A 91 -31.203 -8.037 -9.274 1.00 0.00 H new ATOM 0 HB3 SER A 91 -29.714 -8.638 -9.975 1.00 0.00 H new ATOM 0 HG SER A 91 -30.797 -10.257 -8.692 1.00 0.00 H new ATOM 1447 N GLU A 92 -31.251 -7.122 -6.703 1.00 0.00 N ATOM 1448 CA GLU A 92 -31.844 -7.007 -5.337 1.00 0.00 C ATOM 1449 C GLU A 92 -32.244 -8.391 -4.817 1.00 0.00 C ATOM 1450 O GLU A 92 -31.704 -8.874 -3.840 1.00 0.00 O ATOM 1451 CB GLU A 92 -33.079 -6.124 -5.515 1.00 0.00 C ATOM 1452 CG GLU A 92 -33.605 -5.700 -4.143 1.00 0.00 C ATOM 1453 CD GLU A 92 -35.119 -5.489 -4.219 1.00 0.00 C ATOM 1454 OE1 GLU A 92 -35.567 -4.903 -5.191 1.00 0.00 O ATOM 1455 OE2 GLU A 92 -35.804 -5.918 -3.305 1.00 0.00 O ATOM 0 H GLU A 92 -31.928 -7.166 -7.465 1.00 0.00 H new ATOM 0 HA GLU A 92 -31.143 -6.587 -4.616 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -32.828 -5.244 -6.108 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -33.851 -6.666 -6.061 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -33.370 -6.463 -3.400 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -33.115 -4.781 -3.822 1.00 0.00 H new ATOM 1462 N THR A 93 -33.160 -9.043 -5.487 1.00 0.00 N ATOM 1463 CA THR A 93 -33.571 -10.415 -5.065 1.00 0.00 C ATOM 1464 C THR A 93 -34.058 -11.218 -6.274 1.00 0.00 C ATOM 1465 O THR A 93 -33.377 -12.104 -6.755 1.00 0.00 O ATOM 1466 CB THR A 93 -34.712 -10.198 -4.069 1.00 0.00 C ATOM 1467 OG1 THR A 93 -35.698 -9.362 -4.658 1.00 0.00 O ATOM 1468 CG2 THR A 93 -34.167 -9.537 -2.802 1.00 0.00 C ATOM 0 H THR A 93 -33.642 -8.683 -6.311 1.00 0.00 H new ATOM 0 HA THR A 93 -32.747 -10.976 -4.624 1.00 0.00 H new ATOM 0 HB THR A 93 -35.158 -11.158 -3.810 1.00 0.00 H new ATOM 0 HG1 THR A 93 -36.431 -9.223 -4.023 1.00 0.00 H new ATOM 0 HG21 THR A 93 -34.981 -9.383 -2.093 1.00 0.00 H new ATOM 0 HG22 THR A 93 -33.411 -10.181 -2.352 1.00 0.00 H new ATOM 0 HG23 THR A 93 -33.720 -8.576 -3.056 1.00 0.00 H new ATOM 1476 N LEU A 94 -35.215 -10.885 -6.789 1.00 0.00 N ATOM 1477 CA LEU A 94 -35.734 -11.594 -7.996 1.00 0.00 C ATOM 1478 C LEU A 94 -35.513 -10.740 -9.248 1.00 0.00 C ATOM 1479 O LEU A 94 -36.185 -9.730 -9.379 1.00 0.00 O ATOM 1480 CB LEU A 94 -37.229 -11.781 -7.733 1.00 0.00 C ATOM 1481 CG LEU A 94 -37.682 -13.130 -8.294 1.00 0.00 C ATOM 1482 CD1 LEU A 94 -37.335 -14.239 -7.301 1.00 0.00 C ATOM 1483 CD2 LEU A 94 -39.196 -13.104 -8.520 1.00 0.00 C ATOM 1484 OXT LEU A 94 -34.675 -11.111 -10.054 1.00 0.00 O ATOM 0 H LEU A 94 -35.823 -10.151 -6.424 1.00 0.00 H new ATOM 0 HA LEU A 94 -35.227 -12.544 -8.166 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -37.429 -11.735 -6.663 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -37.795 -10.974 -8.198 1.00 0.00 H new ATOM 0 HG LEU A 94 -37.175 -13.319 -9.240 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -37.658 -15.200 -7.701 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -36.257 -14.257 -7.138 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -37.842 -14.051 -6.354 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -39.521 -14.065 -8.920 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -39.702 -12.915 -7.573 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -39.445 -12.314 -9.228 1.00 0.00 H new TER 1496 LEU A 94