USER MOD reduce.3.24.130724 H: found=0, std=0, add=779, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 777 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 9 GLN : amide:sc= 1.23 K(o=1.2,f=-4) USER MOD Set 1.2: A 45 ASN : amide:sc=-0.00607 K(o=1.2,f=-2!) USER MOD Set 2.1: A 1 LYS NZ :NH3+ -168:sc= 2.11 (180deg=0.787) USER MOD Set 2.2: A 22 SER OG : rot -150:sc= 0.835 USER MOD Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 THR OG1 : rot 87:sc= 0.973 USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= -0.0109 K(o=-0.011,f=-0.79) USER MOD Single : A 23 THR OG1 : rot -166:sc= 0.828 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -165:sc= 1.16 (180deg=1.04) USER MOD Single : A 47 GLN : amide:sc= 0.855 K(o=0.85,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 GLN : amide:sc= 0.938 K(o=0.94,f=-2.7!) USER MOD Single : A 59 LYS NZ :NH3+ 178:sc= 3.37 (180deg=3.32) USER MOD Single : A 70 GLN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 71 LYS NZ :NH3+ 148:sc= 1.13 (180deg=-0.868!) USER MOD Single : A 74 TYR OH : rot 165:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= 0.519 K(o=0.52,f=-0.064) USER MOD Single : A 82 ASN : amide:sc= 1.74 K(o=1.7,f=-4.5!) USER MOD Single : A 84 THR OG1 : rot 106:sc= 1.26 USER MOD Single : A 87 LYS NZ :NH3+ 157:sc= 1.23 (180deg=0.182) USER MOD ----------------------------------------------------------------- ATOM 35 N LYS A 1 3.385 12.929 5.340 1.00 0.00 N ATOM 36 CA LYS A 1 1.947 13.032 4.958 1.00 0.00 C ATOM 37 C LYS A 1 1.102 11.780 5.378 1.00 0.00 C ATOM 38 O LYS A 1 1.477 10.655 5.040 1.00 0.00 O ATOM 39 CB LYS A 1 1.701 13.505 3.496 1.00 0.00 C ATOM 40 CG LYS A 1 0.363 14.257 3.257 1.00 0.00 C ATOM 41 CD LYS A 1 0.475 15.798 3.128 1.00 0.00 C ATOM 42 CE LYS A 1 0.879 16.603 4.382 1.00 0.00 C ATOM 43 NZ LYS A 1 -0.183 16.643 5.427 1.00 0.00 N ATOM 0 H1 LYS A 1 3.888 13.787 5.035 1.00 0.00 H new ATOM 0 H2 LYS A 1 3.464 12.831 6.372 1.00 0.00 H new ATOM 0 H3 LYS A 1 3.808 12.098 4.880 1.00 0.00 H new ATOM 0 HA LYS A 1 1.559 13.852 5.562 1.00 0.00 H new ATOM 0 HB2 LYS A 1 2.523 14.157 3.199 1.00 0.00 H new ATOM 0 HB3 LYS A 1 1.732 12.635 2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 1 -0.095 13.867 2.348 1.00 0.00 H new ATOM 0 HG3 LYS A 1 -0.314 14.027 4.080 1.00 0.00 H new ATOM 0 HD2 LYS A 1 1.200 16.016 2.344 1.00 0.00 H new ATOM 0 HD3 LYS A 1 -0.488 16.175 2.785 1.00 0.00 H new ATOM 0 HE2 LYS A 1 1.782 16.167 4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 1 1.126 17.623 4.086 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 0.062 17.355 6.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 -1.092 16.892 4.988 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 -0.261 15.710 5.879 1.00 0.00 H new ATOM 57 N VAL A 2 -0.040 11.977 6.078 1.00 0.00 N ATOM 58 CA VAL A 2 -0.865 10.869 6.673 1.00 0.00 C ATOM 59 C VAL A 2 -1.290 9.763 5.638 1.00 0.00 C ATOM 60 O VAL A 2 -2.126 9.973 4.757 1.00 0.00 O ATOM 61 CB VAL A 2 -2.061 11.500 7.484 1.00 0.00 C ATOM 62 CG1 VAL A 2 -3.237 10.557 7.842 1.00 0.00 C ATOM 63 CG2 VAL A 2 -1.599 12.117 8.826 1.00 0.00 C ATOM 0 H VAL A 2 -0.426 12.905 6.253 1.00 0.00 H new ATOM 0 HA VAL A 2 -0.244 10.308 7.371 1.00 0.00 H new ATOM 0 HB VAL A 2 -2.424 12.243 6.773 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -3.992 11.112 8.398 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -3.678 10.162 6.927 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -2.869 9.733 8.453 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.458 12.539 9.348 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.143 11.344 9.444 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -0.870 12.904 8.633 1.00 0.00 H new ATOM 73 N ASP A 3 -0.671 8.585 5.783 1.00 0.00 N ATOM 74 CA ASP A 3 -0.793 7.455 4.830 1.00 0.00 C ATOM 75 C ASP A 3 -1.307 6.219 5.608 1.00 0.00 C ATOM 76 O ASP A 3 -0.544 5.668 6.403 1.00 0.00 O ATOM 77 CB ASP A 3 0.646 7.255 4.283 1.00 0.00 C ATOM 78 CG ASP A 3 0.860 6.199 3.201 1.00 0.00 C ATOM 79 OD1 ASP A 3 0.441 5.032 3.374 1.00 0.00 O ATOM 80 OD2 ASP A 3 1.495 6.543 2.180 1.00 0.00 O ATOM 0 H ASP A 3 -0.061 8.379 6.574 1.00 0.00 H new ATOM 0 HA ASP A 3 -1.492 7.626 4.012 1.00 0.00 H new ATOM 0 HB2 ASP A 3 0.990 8.211 3.889 1.00 0.00 H new ATOM 0 HB3 ASP A 3 1.292 7.006 5.125 1.00 0.00 H new ATOM 85 N ILE A 4 -2.550 5.748 5.383 1.00 0.00 N ATOM 86 CA ILE A 4 -2.980 4.416 5.920 1.00 0.00 C ATOM 87 C ILE A 4 -2.660 3.307 4.863 1.00 0.00 C ATOM 88 O ILE A 4 -3.478 2.988 3.995 1.00 0.00 O ATOM 89 CB ILE A 4 -4.444 4.365 6.500 1.00 0.00 C ATOM 90 CG1 ILE A 4 -5.583 4.875 5.572 1.00 0.00 C ATOM 91 CG2 ILE A 4 -4.531 5.044 7.889 1.00 0.00 C ATOM 92 CD1 ILE A 4 -6.994 4.406 5.988 1.00 0.00 C ATOM 0 H ILE A 4 -3.265 6.244 4.850 1.00 0.00 H new ATOM 0 HA ILE A 4 -2.391 4.217 6.815 1.00 0.00 H new ATOM 0 HB ILE A 4 -4.632 3.295 6.591 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.564 5.965 5.557 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.386 4.539 4.554 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -5.555 4.989 8.257 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -3.867 4.533 8.586 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -4.232 6.089 7.803 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -7.730 4.805 5.290 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.034 3.317 5.975 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -7.215 4.765 6.993 1.00 0.00 H new ATOM 104 N THR A 5 -1.455 2.713 4.964 1.00 0.00 N ATOM 105 CA THR A 5 -1.041 1.562 4.117 1.00 0.00 C ATOM 106 C THR A 5 -1.502 0.238 4.815 1.00 0.00 C ATOM 107 O THR A 5 -0.938 -0.203 5.824 1.00 0.00 O ATOM 108 CB THR A 5 0.476 1.684 3.772 1.00 0.00 C ATOM 109 OG1 THR A 5 0.677 2.713 2.796 1.00 0.00 O ATOM 110 CG2 THR A 5 1.083 0.431 3.118 1.00 0.00 C ATOM 0 H THR A 5 -0.741 3.010 5.629 1.00 0.00 H new ATOM 0 HA THR A 5 -1.531 1.554 3.143 1.00 0.00 H new ATOM 0 HB THR A 5 0.951 1.874 4.734 1.00 0.00 H new ATOM 0 HG1 THR A 5 0.775 3.577 3.247 1.00 0.00 H new ATOM 0 HG21 THR A 5 2.139 0.603 2.912 1.00 0.00 H new ATOM 0 HG22 THR A 5 0.979 -0.419 3.793 1.00 0.00 H new ATOM 0 HG23 THR A 5 0.562 0.219 2.185 1.00 0.00 H new ATOM 118 N ILE A 6 -2.568 -0.371 4.263 1.00 0.00 N ATOM 119 CA ILE A 6 -3.226 -1.573 4.855 1.00 0.00 C ATOM 120 C ILE A 6 -2.729 -2.823 4.064 1.00 0.00 C ATOM 121 O ILE A 6 -3.133 -3.041 2.916 1.00 0.00 O ATOM 122 CB ILE A 6 -4.794 -1.426 4.854 1.00 0.00 C ATOM 123 CG1 ILE A 6 -5.367 -0.119 5.482 1.00 0.00 C ATOM 124 CG2 ILE A 6 -5.520 -2.646 5.483 1.00 0.00 C ATOM 125 CD1 ILE A 6 -4.960 0.202 6.928 1.00 0.00 C ATOM 0 H ILE A 6 -3.003 -0.053 3.397 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.952 -1.686 5.904 1.00 0.00 H new ATOM 0 HB ILE A 6 -5.006 -1.372 3.786 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.066 0.718 4.853 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.455 -0.173 5.441 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.597 -2.484 5.452 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.273 -3.546 4.921 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -5.200 -2.766 6.518 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.428 1.136 7.239 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.287 -0.604 7.585 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -3.876 0.302 6.987 1.00 0.00 H new ATOM 137 N LYS A 7 -1.873 -3.651 4.686 1.00 0.00 N ATOM 138 CA LYS A 7 -1.374 -4.910 4.072 1.00 0.00 C ATOM 139 C LYS A 7 -2.178 -6.135 4.603 1.00 0.00 C ATOM 140 O LYS A 7 -1.876 -6.690 5.664 1.00 0.00 O ATOM 141 CB LYS A 7 0.170 -4.999 4.290 1.00 0.00 C ATOM 142 CG LYS A 7 0.950 -4.364 3.126 1.00 0.00 C ATOM 143 CD LYS A 7 2.478 -4.231 3.289 1.00 0.00 C ATOM 144 CE LYS A 7 3.070 -3.705 1.964 1.00 0.00 C ATOM 145 NZ LYS A 7 4.526 -3.447 2.008 1.00 0.00 N ATOM 0 H LYS A 7 -1.505 -3.476 5.621 1.00 0.00 H new ATOM 0 HA LYS A 7 -1.539 -4.914 2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.435 -4.498 5.221 1.00 0.00 H new ATOM 0 HB3 LYS A 7 0.462 -6.044 4.396 1.00 0.00 H new ATOM 0 HG2 LYS A 7 0.756 -4.952 2.229 1.00 0.00 H new ATOM 0 HG3 LYS A 7 0.542 -3.369 2.949 1.00 0.00 H new ATOM 0 HD2 LYS A 7 2.713 -3.549 4.106 1.00 0.00 H new ATOM 0 HD3 LYS A 7 2.917 -5.196 3.543 1.00 0.00 H new ATOM 0 HE2 LYS A 7 2.865 -4.429 1.175 1.00 0.00 H new ATOM 0 HE3 LYS A 7 2.557 -2.782 1.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 4.845 -3.097 1.082 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 4.730 -2.734 2.737 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 5.028 -4.329 2.236 1.00 0.00 H new ATOM 159 N ILE A 8 -3.187 -6.581 3.832 1.00 0.00 N ATOM 160 CA ILE A 8 -3.915 -7.856 4.107 1.00 0.00 C ATOM 161 C ILE A 8 -3.048 -9.025 3.527 1.00 0.00 C ATOM 162 O ILE A 8 -3.123 -9.327 2.331 1.00 0.00 O ATOM 163 CB ILE A 8 -5.384 -7.809 3.536 1.00 0.00 C ATOM 164 CG1 ILE A 8 -6.300 -6.735 4.192 1.00 0.00 C ATOM 165 CG2 ILE A 8 -6.107 -9.176 3.654 1.00 0.00 C ATOM 166 CD1 ILE A 8 -7.500 -6.296 3.329 1.00 0.00 C ATOM 0 H ILE A 8 -3.525 -6.083 3.009 1.00 0.00 H new ATOM 0 HA ILE A 8 -4.042 -8.016 5.178 1.00 0.00 H new ATOM 0 HB ILE A 8 -5.234 -7.540 2.490 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -6.674 -7.126 5.138 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -5.698 -5.857 4.425 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -7.115 -9.091 3.247 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -5.553 -9.930 3.095 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -6.163 -9.469 4.702 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -8.080 -5.547 3.867 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -7.139 -5.871 2.392 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -8.130 -7.159 3.116 1.00 0.00 H new ATOM 178 N GLN A 9 -2.254 -9.702 4.377 1.00 0.00 N ATOM 179 CA GLN A 9 -1.562 -10.959 3.987 1.00 0.00 C ATOM 180 C GLN A 9 -2.482 -12.164 4.363 1.00 0.00 C ATOM 181 O GLN A 9 -2.521 -12.647 5.501 1.00 0.00 O ATOM 182 CB GLN A 9 -0.133 -10.963 4.591 1.00 0.00 C ATOM 183 CG GLN A 9 0.864 -11.943 3.927 1.00 0.00 C ATOM 184 CD GLN A 9 0.776 -13.442 4.246 1.00 0.00 C ATOM 185 OE1 GLN A 9 0.242 -13.898 5.254 1.00 0.00 O ATOM 186 NE2 GLN A 9 1.368 -14.252 3.403 1.00 0.00 N ATOM 0 H GLN A 9 -2.072 -9.407 5.336 1.00 0.00 H new ATOM 0 HA GLN A 9 -1.401 -11.045 2.912 1.00 0.00 H new ATOM 0 HB2 GLN A 9 0.275 -9.954 4.523 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -0.205 -11.207 5.651 1.00 0.00 H new ATOM 0 HG2 GLN A 9 0.761 -11.832 2.848 1.00 0.00 H new ATOM 0 HG3 GLN A 9 1.869 -11.612 4.187 1.00 0.00 H new ATOM 0 HE21 GLN A 9 1.813 -13.879 2.564 1.00 0.00 H new ATOM 0 HE22 GLN A 9 1.384 -15.255 3.585 1.00 0.00 H new ATOM 195 N ARG A 10 -3.280 -12.587 3.373 1.00 0.00 N ATOM 196 CA ARG A 10 -4.273 -13.679 3.522 1.00 0.00 C ATOM 197 C ARG A 10 -3.810 -14.903 2.690 1.00 0.00 C ATOM 198 O ARG A 10 -3.624 -14.770 1.480 1.00 0.00 O ATOM 199 CB ARG A 10 -5.695 -13.151 3.151 1.00 0.00 C ATOM 200 CG ARG A 10 -5.968 -12.598 1.714 1.00 0.00 C ATOM 201 CD ARG A 10 -6.826 -13.475 0.777 1.00 0.00 C ATOM 202 NE ARG A 10 -6.051 -14.658 0.304 1.00 0.00 N ATOM 203 CZ ARG A 10 -6.471 -15.600 -0.533 1.00 0.00 C ATOM 204 NH1 ARG A 10 -7.644 -15.577 -1.107 1.00 0.00 N ATOM 205 NH2 ARG A 10 -5.678 -16.602 -0.799 1.00 0.00 N ATOM 0 H ARG A 10 -3.260 -12.183 2.437 1.00 0.00 H new ATOM 0 HA ARG A 10 -4.341 -14.016 4.556 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -6.400 -13.964 3.326 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -5.942 -12.358 3.857 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -6.456 -11.628 1.811 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -5.007 -12.424 1.230 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -7.722 -13.807 1.301 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -7.157 -12.886 -0.078 1.00 0.00 H new ATOM 0 HE ARG A 10 -5.100 -14.754 0.660 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -8.288 -14.809 -0.920 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -7.916 -16.327 -1.742 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -4.755 -16.651 -0.367 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -5.981 -17.336 -1.439 1.00 0.00 H new ATOM 219 N ASP A 11 -3.643 -16.087 3.310 1.00 0.00 N ATOM 220 CA ASP A 11 -3.444 -17.390 2.591 1.00 0.00 C ATOM 221 C ASP A 11 -2.571 -17.371 1.278 1.00 0.00 C ATOM 222 O ASP A 11 -3.099 -17.440 0.163 1.00 0.00 O ATOM 223 CB ASP A 11 -4.866 -18.014 2.478 1.00 0.00 C ATOM 224 CG ASP A 11 -4.903 -19.491 2.109 1.00 0.00 C ATOM 225 OD1 ASP A 11 -4.616 -20.329 2.996 1.00 0.00 O ATOM 226 OD2 ASP A 11 -5.235 -19.817 0.954 1.00 0.00 O ATOM 0 H ASP A 11 -3.640 -16.182 4.326 1.00 0.00 H new ATOM 0 HA ASP A 11 -2.780 -18.036 3.166 1.00 0.00 H new ATOM 0 HB2 ASP A 11 -5.379 -17.882 3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 11 -5.431 -17.456 1.731 1.00 0.00 H new ATOM 231 N GLY A 12 -1.251 -17.146 1.432 1.00 0.00 N ATOM 232 CA GLY A 12 -0.330 -16.908 0.279 1.00 0.00 C ATOM 233 C GLY A 12 -0.560 -15.691 -0.661 1.00 0.00 C ATOM 234 O GLY A 12 -0.229 -15.794 -1.843 1.00 0.00 O ATOM 0 H GLY A 12 -0.789 -17.122 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.679 -16.820 0.683 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.348 -17.804 -0.341 1.00 0.00 H new ATOM 238 N GLN A 13 -1.114 -14.566 -0.169 1.00 0.00 N ATOM 239 CA GLN A 13 -1.481 -13.406 -1.029 1.00 0.00 C ATOM 240 C GLN A 13 -1.331 -12.061 -0.243 1.00 0.00 C ATOM 241 O GLN A 13 -2.173 -11.711 0.592 1.00 0.00 O ATOM 242 CB GLN A 13 -2.919 -13.636 -1.579 1.00 0.00 C ATOM 243 CG GLN A 13 -3.357 -12.679 -2.713 1.00 0.00 C ATOM 244 CD GLN A 13 -4.757 -12.992 -3.257 1.00 0.00 C ATOM 245 OE1 GLN A 13 -5.774 -12.852 -2.583 1.00 0.00 O ATOM 246 NE2 GLN A 13 -4.866 -13.436 -4.485 1.00 0.00 N ATOM 0 H GLN A 13 -1.321 -14.428 0.820 1.00 0.00 H new ATOM 0 HA GLN A 13 -0.801 -13.328 -1.878 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.991 -14.661 -1.944 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -3.625 -13.541 -0.754 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.338 -11.654 -2.343 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -2.636 -12.737 -3.528 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -4.032 -13.558 -5.059 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.785 -13.659 -4.867 1.00 0.00 H new ATOM 255 N GLU A 14 -0.276 -11.294 -0.568 1.00 0.00 N ATOM 256 CA GLU A 14 -0.019 -9.946 0.010 1.00 0.00 C ATOM 257 C GLU A 14 -0.843 -8.840 -0.736 1.00 0.00 C ATOM 258 O GLU A 14 -0.489 -8.423 -1.845 1.00 0.00 O ATOM 259 CB GLU A 14 1.514 -9.663 -0.091 1.00 0.00 C ATOM 260 CG GLU A 14 2.492 -10.456 0.827 1.00 0.00 C ATOM 261 CD GLU A 14 2.607 -11.970 0.646 1.00 0.00 C ATOM 262 OE1 GLU A 14 2.393 -12.480 -0.475 1.00 0.00 O ATOM 263 OE2 GLU A 14 2.902 -12.662 1.643 1.00 0.00 O ATOM 0 H GLU A 14 0.432 -11.586 -1.242 1.00 0.00 H new ATOM 0 HA GLU A 14 -0.337 -9.925 1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.814 -9.842 -1.123 1.00 0.00 H new ATOM 0 HB3 GLU A 14 1.666 -8.602 0.106 1.00 0.00 H new ATOM 0 HG2 GLU A 14 3.487 -10.031 0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.200 -10.268 1.860 1.00 0.00 H new ATOM 270 N ILE A 15 -1.942 -8.355 -0.130 1.00 0.00 N ATOM 271 CA ILE A 15 -2.835 -7.332 -0.763 1.00 0.00 C ATOM 272 C ILE A 15 -2.551 -5.962 -0.060 1.00 0.00 C ATOM 273 O ILE A 15 -3.060 -5.714 1.040 1.00 0.00 O ATOM 274 CB ILE A 15 -4.354 -7.746 -0.703 1.00 0.00 C ATOM 275 CG1 ILE A 15 -4.668 -9.182 -1.222 1.00 0.00 C ATOM 276 CG2 ILE A 15 -5.246 -6.727 -1.465 1.00 0.00 C ATOM 277 CD1 ILE A 15 -6.053 -9.731 -0.838 1.00 0.00 C ATOM 0 H ILE A 15 -2.245 -8.648 0.799 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.616 -7.249 -1.828 1.00 0.00 H new ATOM 0 HB ILE A 15 -4.587 -7.743 0.362 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -4.583 -9.185 -2.309 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.907 -9.863 -0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -6.288 -7.040 -1.406 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -5.137 -5.740 -1.015 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -4.939 -6.685 -2.510 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -6.173 -10.734 -1.247 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.141 -9.768 0.248 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.828 -9.080 -1.243 1.00 0.00 H new ATOM 289 N GLU A 16 -1.755 -5.078 -0.692 1.00 0.00 N ATOM 290 CA GLU A 16 -1.409 -3.750 -0.112 1.00 0.00 C ATOM 291 C GLU A 16 -2.275 -2.583 -0.677 1.00 0.00 C ATOM 292 O GLU A 16 -2.296 -2.332 -1.886 1.00 0.00 O ATOM 293 CB GLU A 16 0.123 -3.523 -0.163 1.00 0.00 C ATOM 294 CG GLU A 16 0.852 -3.141 -1.474 1.00 0.00 C ATOM 295 CD GLU A 16 2.365 -3.120 -1.267 1.00 0.00 C ATOM 296 OE1 GLU A 16 2.902 -2.113 -0.757 1.00 0.00 O ATOM 297 OE2 GLU A 16 3.014 -4.158 -1.504 1.00 0.00 O ATOM 0 H GLU A 16 -1.335 -5.253 -1.605 1.00 0.00 H new ATOM 0 HA GLU A 16 -1.680 -3.755 0.944 1.00 0.00 H new ATOM 0 HB2 GLU A 16 0.349 -2.741 0.562 1.00 0.00 H new ATOM 0 HB3 GLU A 16 0.589 -4.439 0.200 1.00 0.00 H new ATOM 0 HG2 GLU A 16 0.598 -3.854 -2.258 1.00 0.00 H new ATOM 0 HG3 GLU A 16 0.513 -2.162 -1.812 1.00 0.00 H new ATOM 304 N ILE A 17 -2.992 -1.872 0.213 1.00 0.00 N ATOM 305 CA ILE A 17 -3.826 -0.693 -0.164 1.00 0.00 C ATOM 306 C ILE A 17 -3.163 0.571 0.483 1.00 0.00 C ATOM 307 O ILE A 17 -3.404 0.878 1.656 1.00 0.00 O ATOM 308 CB ILE A 17 -5.348 -0.856 0.214 1.00 0.00 C ATOM 309 CG1 ILE A 17 -6.047 -2.168 -0.270 1.00 0.00 C ATOM 310 CG2 ILE A 17 -6.168 0.346 -0.330 1.00 0.00 C ATOM 311 CD1 ILE A 17 -5.929 -3.358 0.702 1.00 0.00 C ATOM 0 H ILE A 17 -3.016 -2.089 1.209 1.00 0.00 H new ATOM 0 HA ILE A 17 -3.846 -0.589 -1.249 1.00 0.00 H new ATOM 0 HB ILE A 17 -5.336 -0.902 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -7.103 -1.959 -0.440 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -5.621 -2.457 -1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -7.217 0.222 -0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -5.790 1.271 0.105 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -6.073 0.390 -1.415 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -6.443 -4.223 0.283 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -4.877 -3.600 0.855 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -6.383 -3.094 1.657 1.00 0.00 H new ATOM 323 N ASP A 18 -2.359 1.306 -0.302 1.00 0.00 N ATOM 324 CA ASP A 18 -1.751 2.601 0.109 1.00 0.00 C ATOM 325 C ASP A 18 -2.645 3.813 -0.318 1.00 0.00 C ATOM 326 O ASP A 18 -2.754 4.136 -1.506 1.00 0.00 O ATOM 327 CB ASP A 18 -0.285 2.657 -0.412 1.00 0.00 C ATOM 328 CG ASP A 18 -0.032 2.604 -1.927 1.00 0.00 C ATOM 329 OD1 ASP A 18 -0.399 1.592 -2.564 1.00 0.00 O ATOM 330 OD2 ASP A 18 0.548 3.566 -2.476 1.00 0.00 O ATOM 0 H ASP A 18 -2.105 1.024 -1.249 1.00 0.00 H new ATOM 0 HA ASP A 18 -1.704 2.675 1.196 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.164 3.576 -0.035 1.00 0.00 H new ATOM 0 HB3 ASP A 18 0.258 1.828 0.042 1.00 0.00 H new ATOM 335 N ILE A 19 -3.313 4.480 0.645 1.00 0.00 N ATOM 336 CA ILE A 19 -4.144 5.697 0.358 1.00 0.00 C ATOM 337 C ILE A 19 -3.718 6.879 1.295 1.00 0.00 C ATOM 338 O ILE A 19 -3.559 6.728 2.514 1.00 0.00 O ATOM 339 CB ILE A 19 -5.694 5.432 0.269 1.00 0.00 C ATOM 340 CG1 ILE A 19 -6.405 4.947 1.565 1.00 0.00 C ATOM 341 CG2 ILE A 19 -6.049 4.489 -0.908 1.00 0.00 C ATOM 342 CD1 ILE A 19 -6.918 6.090 2.455 1.00 0.00 C ATOM 0 H ILE A 19 -3.302 4.208 1.628 1.00 0.00 H new ATOM 0 HA ILE A 19 -3.923 6.010 -0.662 1.00 0.00 H new ATOM 0 HB ILE A 19 -6.090 6.433 0.096 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -7.244 4.308 1.291 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -5.712 4.333 2.141 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -7.127 4.331 -0.935 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -5.724 4.940 -1.846 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -5.545 3.532 -0.772 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -7.402 5.674 3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -6.080 6.717 2.761 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -7.636 6.691 1.897 1.00 0.00 H new ATOM 354 N ARG A 20 -3.491 8.060 0.691 1.00 0.00 N ATOM 355 CA ARG A 20 -2.773 9.194 1.341 1.00 0.00 C ATOM 356 C ARG A 20 -3.742 10.397 1.541 1.00 0.00 C ATOM 357 O ARG A 20 -4.312 10.932 0.584 1.00 0.00 O ATOM 358 CB ARG A 20 -1.510 9.524 0.490 1.00 0.00 C ATOM 359 CG ARG A 20 -0.408 8.439 0.628 1.00 0.00 C ATOM 360 CD ARG A 20 0.836 8.532 -0.281 1.00 0.00 C ATOM 361 NE ARG A 20 1.698 9.719 -0.021 1.00 0.00 N ATOM 362 CZ ARG A 20 2.512 9.879 1.024 1.00 0.00 C ATOM 363 NH1 ARG A 20 2.706 8.987 1.965 1.00 0.00 N ATOM 364 NH2 ARG A 20 3.153 11.004 1.122 1.00 0.00 N ATOM 0 H ARG A 20 -3.796 8.264 -0.261 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.429 8.932 2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.795 9.618 -0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -1.108 10.489 0.799 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -0.064 8.446 1.662 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -0.874 7.469 0.454 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.433 7.629 -0.153 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.511 8.555 -1.321 1.00 0.00 H new ATOM 0 HE ARG A 20 1.663 10.477 -0.703 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.216 8.093 1.929 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.347 9.187 2.733 1.00 0.00 H new ATOM 0 HH21 ARG A 20 3.025 11.727 0.414 1.00 0.00 H new ATOM 0 HH22 ARG A 20 3.785 11.164 1.907 1.00 0.00 H new ATOM 378 N VAL A 21 -3.975 10.773 2.809 1.00 0.00 N ATOM 379 CA VAL A 21 -5.208 11.497 3.234 1.00 0.00 C ATOM 380 C VAL A 21 -4.848 12.547 4.337 1.00 0.00 C ATOM 381 O VAL A 21 -4.869 12.265 5.538 1.00 0.00 O ATOM 382 CB VAL A 21 -6.369 10.517 3.660 1.00 0.00 C ATOM 383 CG1 VAL A 21 -7.086 9.871 2.455 1.00 0.00 C ATOM 384 CG2 VAL A 21 -5.984 9.404 4.663 1.00 0.00 C ATOM 0 H VAL A 21 -3.324 10.590 3.573 1.00 0.00 H new ATOM 0 HA VAL A 21 -5.607 12.038 2.376 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.047 11.191 4.184 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.874 9.208 2.813 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -7.523 10.651 1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.368 9.298 1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.860 8.793 4.882 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -5.204 8.778 4.230 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -5.617 9.856 5.584 1.00 0.00 H new ATOM 394 N SER A 22 -4.578 13.800 3.929 1.00 0.00 N ATOM 395 CA SER A 22 -4.310 14.924 4.875 1.00 0.00 C ATOM 396 C SER A 22 -5.604 15.669 5.354 1.00 0.00 C ATOM 397 O SER A 22 -5.823 16.841 5.029 1.00 0.00 O ATOM 398 CB SER A 22 -3.294 15.829 4.136 1.00 0.00 C ATOM 399 OG SER A 22 -2.949 16.964 4.925 1.00 0.00 O ATOM 0 H SER A 22 -4.537 14.071 2.947 1.00 0.00 H new ATOM 0 HA SER A 22 -3.901 14.564 5.819 1.00 0.00 H new ATOM 0 HB2 SER A 22 -2.396 15.258 3.903 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.718 16.157 3.187 1.00 0.00 H new ATOM 0 HG SER A 22 -2.729 17.716 4.337 1.00 0.00 H new ATOM 405 N THR A 23 -6.470 14.971 6.114 1.00 0.00 N ATOM 406 CA THR A 23 -7.930 15.306 6.199 1.00 0.00 C ATOM 407 C THR A 23 -8.656 14.526 7.358 1.00 0.00 C ATOM 408 O THR A 23 -8.242 13.438 7.773 1.00 0.00 O ATOM 409 CB THR A 23 -8.637 15.086 4.814 1.00 0.00 C ATOM 410 OG1 THR A 23 -10.029 15.388 4.910 1.00 0.00 O ATOM 411 CG2 THR A 23 -8.489 13.670 4.229 1.00 0.00 C ATOM 0 H THR A 23 -6.197 14.170 6.683 1.00 0.00 H new ATOM 0 HA THR A 23 -8.006 16.364 6.448 1.00 0.00 H new ATOM 0 HB THR A 23 -8.124 15.766 4.133 1.00 0.00 H new ATOM 0 HG1 THR A 23 -10.495 15.035 4.124 1.00 0.00 H new ATOM 0 HG21 THR A 23 -9.010 13.615 3.273 1.00 0.00 H new ATOM 0 HG22 THR A 23 -7.433 13.446 4.080 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.920 12.944 4.919 1.00 0.00 H new ATOM 419 N GLY A 24 -9.786 15.087 7.833 1.00 0.00 N ATOM 420 CA GLY A 24 -10.699 14.403 8.794 1.00 0.00 C ATOM 421 C GLY A 24 -12.111 14.107 8.227 1.00 0.00 C ATOM 422 O GLY A 24 -12.572 14.739 7.272 1.00 0.00 O ATOM 0 H GLY A 24 -10.098 16.021 7.568 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -10.241 13.465 9.108 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.800 15.022 9.685 1.00 0.00 H new ATOM 426 N LYS A 25 -12.794 13.102 8.808 1.00 0.00 N ATOM 427 CA LYS A 25 -14.056 12.504 8.243 1.00 0.00 C ATOM 428 C LYS A 25 -13.855 11.612 6.965 1.00 0.00 C ATOM 429 O LYS A 25 -14.336 10.478 6.924 1.00 0.00 O ATOM 430 CB LYS A 25 -15.282 13.460 8.147 1.00 0.00 C ATOM 431 CG LYS A 25 -15.748 14.042 9.504 1.00 0.00 C ATOM 432 CD LYS A 25 -16.970 14.976 9.361 1.00 0.00 C ATOM 433 CE LYS A 25 -17.475 15.587 10.685 1.00 0.00 C ATOM 434 NZ LYS A 25 -16.545 16.640 11.183 1.00 0.00 N ATOM 0 H LYS A 25 -12.500 12.670 9.684 1.00 0.00 H new ATOM 0 HA LYS A 25 -14.337 11.806 9.031 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -15.033 14.284 7.478 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -16.113 12.921 7.692 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -15.998 13.224 10.180 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -14.926 14.593 9.961 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -16.713 15.786 8.678 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -17.785 14.417 8.901 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -18.466 16.015 10.536 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -17.576 14.803 11.435 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -16.910 17.033 12.074 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -15.606 16.224 11.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -16.469 17.399 10.476 1.00 0.00 H new ATOM 448 N GLU A 26 -13.111 12.085 5.952 1.00 0.00 N ATOM 449 CA GLU A 26 -12.536 11.230 4.869 1.00 0.00 C ATOM 450 C GLU A 26 -11.611 10.055 5.363 1.00 0.00 C ATOM 451 O GLU A 26 -11.840 8.906 4.979 1.00 0.00 O ATOM 452 CB GLU A 26 -11.777 12.159 3.886 1.00 0.00 C ATOM 453 CG GLU A 26 -12.609 13.194 3.086 1.00 0.00 C ATOM 454 CD GLU A 26 -11.747 14.138 2.262 1.00 0.00 C ATOM 455 OE1 GLU A 26 -11.134 15.054 2.851 1.00 0.00 O ATOM 456 OE2 GLU A 26 -11.679 13.969 1.029 1.00 0.00 O ATOM 0 H GLU A 26 -12.883 13.074 5.849 1.00 0.00 H new ATOM 0 HA GLU A 26 -13.368 10.719 4.383 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -11.022 12.702 4.454 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -11.247 11.530 3.171 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -13.296 12.667 2.424 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -13.217 13.776 3.778 1.00 0.00 H new ATOM 463 N LEU A 27 -10.619 10.320 6.246 1.00 0.00 N ATOM 464 CA LEU A 27 -9.852 9.262 6.981 1.00 0.00 C ATOM 465 C LEU A 27 -10.724 8.243 7.799 1.00 0.00 C ATOM 466 O LEU A 27 -10.564 7.035 7.620 1.00 0.00 O ATOM 467 CB LEU A 27 -8.766 9.992 7.832 1.00 0.00 C ATOM 468 CG LEU A 27 -7.879 9.140 8.786 1.00 0.00 C ATOM 469 CD1 LEU A 27 -7.013 8.093 8.063 1.00 0.00 C ATOM 470 CD2 LEU A 27 -6.971 10.061 9.620 1.00 0.00 C ATOM 0 H LEU A 27 -10.321 11.268 6.475 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.383 8.599 6.254 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.104 10.519 7.145 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.269 10.749 8.434 1.00 0.00 H new ATOM 0 HG LEU A 27 -8.569 8.589 9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -6.424 7.540 8.795 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -7.656 7.402 7.518 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -6.344 8.594 7.363 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -6.353 9.458 10.285 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -6.330 10.639 8.955 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -7.586 10.739 10.212 1.00 0.00 H new ATOM 482 N GLU A 28 -11.654 8.726 8.645 1.00 0.00 N ATOM 483 CA GLU A 28 -12.741 7.906 9.268 1.00 0.00 C ATOM 484 C GLU A 28 -13.548 6.987 8.284 1.00 0.00 C ATOM 485 O GLU A 28 -13.600 5.774 8.493 1.00 0.00 O ATOM 486 CB GLU A 28 -13.616 8.950 10.022 1.00 0.00 C ATOM 487 CG GLU A 28 -14.908 8.479 10.736 1.00 0.00 C ATOM 488 CD GLU A 28 -15.774 9.645 11.203 1.00 0.00 C ATOM 489 OE1 GLU A 28 -16.306 10.385 10.345 1.00 0.00 O ATOM 490 OE2 GLU A 28 -15.914 9.834 12.428 1.00 0.00 O ATOM 0 H GLU A 28 -11.682 9.706 8.926 1.00 0.00 H new ATOM 0 HA GLU A 28 -12.323 7.151 9.934 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.984 9.429 10.770 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -13.900 9.720 9.304 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -15.485 7.850 10.058 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -14.641 7.862 11.594 1.00 0.00 H new ATOM 497 N ARG A 29 -14.130 7.543 7.206 1.00 0.00 N ATOM 498 CA ARG A 29 -14.824 6.758 6.141 1.00 0.00 C ATOM 499 C ARG A 29 -13.929 5.738 5.357 1.00 0.00 C ATOM 500 O ARG A 29 -14.338 4.583 5.201 1.00 0.00 O ATOM 501 CB ARG A 29 -15.528 7.758 5.186 1.00 0.00 C ATOM 502 CG ARG A 29 -16.762 8.492 5.782 1.00 0.00 C ATOM 503 CD ARG A 29 -17.290 9.648 4.913 1.00 0.00 C ATOM 504 NE ARG A 29 -17.913 9.135 3.661 1.00 0.00 N ATOM 505 CZ ARG A 29 -18.319 9.887 2.638 1.00 0.00 C ATOM 506 NH1 ARG A 29 -18.257 11.196 2.631 1.00 0.00 N ATOM 507 NH2 ARG A 29 -18.806 9.290 1.588 1.00 0.00 N ATOM 0 H ARG A 29 -14.138 8.549 7.039 1.00 0.00 H new ATOM 0 HA ARG A 29 -15.547 6.113 6.641 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -14.800 8.505 4.869 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -15.843 7.220 4.292 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -17.564 7.769 5.931 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -16.499 8.882 6.765 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -18.022 10.226 5.477 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -16.472 10.324 4.665 1.00 0.00 H new ATOM 0 HE ARG A 29 -18.039 8.126 3.580 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -17.882 11.693 3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -18.584 11.718 1.818 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -18.869 8.272 1.563 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -19.124 9.840 0.790 1.00 0.00 H new ATOM 521 N ALA A 30 -12.722 6.128 4.897 1.00 0.00 N ATOM 522 CA ALA A 30 -11.721 5.177 4.340 1.00 0.00 C ATOM 523 C ALA A 30 -11.240 4.049 5.314 1.00 0.00 C ATOM 524 O ALA A 30 -11.294 2.874 4.941 1.00 0.00 O ATOM 525 CB ALA A 30 -10.558 6.021 3.790 1.00 0.00 C ATOM 0 H ALA A 30 -12.410 7.099 4.898 1.00 0.00 H new ATOM 0 HA ALA A 30 -12.204 4.600 3.551 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -9.797 5.363 3.370 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -10.929 6.689 3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -10.122 6.610 4.597 1.00 0.00 H new ATOM 531 N LEU A 31 -10.842 4.375 6.562 1.00 0.00 N ATOM 532 CA LEU A 31 -10.614 3.368 7.639 1.00 0.00 C ATOM 533 C LEU A 31 -11.845 2.456 7.988 1.00 0.00 C ATOM 534 O LEU A 31 -11.647 1.256 8.168 1.00 0.00 O ATOM 535 CB LEU A 31 -10.038 4.127 8.872 1.00 0.00 C ATOM 536 CG LEU A 31 -9.397 3.269 9.998 1.00 0.00 C ATOM 537 CD1 LEU A 31 -8.043 2.659 9.587 1.00 0.00 C ATOM 538 CD2 LEU A 31 -9.193 4.116 11.268 1.00 0.00 C ATOM 0 H LEU A 31 -10.669 5.336 6.858 1.00 0.00 H new ATOM 0 HA LEU A 31 -9.898 2.633 7.271 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -9.287 4.831 8.515 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -10.843 4.716 9.312 1.00 0.00 H new ATOM 0 HG LEU A 31 -10.091 2.451 10.191 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -7.643 2.071 10.413 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.182 2.016 8.718 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -7.344 3.458 9.339 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -8.743 3.501 12.047 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -8.535 4.956 11.044 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -10.156 4.492 11.613 1.00 0.00 H new ATOM 550 N GLN A 32 -13.091 2.972 8.038 1.00 0.00 N ATOM 551 CA GLN A 32 -14.329 2.152 8.175 1.00 0.00 C ATOM 552 C GLN A 32 -14.657 1.184 6.981 1.00 0.00 C ATOM 553 O GLN A 32 -15.040 0.039 7.237 1.00 0.00 O ATOM 554 CB GLN A 32 -15.481 3.143 8.484 1.00 0.00 C ATOM 555 CG GLN A 32 -16.788 2.480 8.980 1.00 0.00 C ATOM 556 CD GLN A 32 -17.952 3.452 9.187 1.00 0.00 C ATOM 557 OE1 GLN A 32 -18.845 3.580 8.357 1.00 0.00 O ATOM 558 NE2 GLN A 32 -17.988 4.164 10.287 1.00 0.00 N ATOM 0 H GLN A 32 -13.275 3.974 7.985 1.00 0.00 H new ATOM 0 HA GLN A 32 -14.178 1.440 8.986 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -15.140 3.852 9.239 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -15.700 3.717 7.584 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -17.090 1.719 8.261 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -16.587 1.968 9.921 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -17.249 4.064 10.983 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -18.755 4.818 10.447 1.00 0.00 H new ATOM 567 N GLU A 33 -14.507 1.581 5.699 1.00 0.00 N ATOM 568 CA GLU A 33 -14.534 0.603 4.566 1.00 0.00 C ATOM 569 C GLU A 33 -13.325 -0.394 4.503 1.00 0.00 C ATOM 570 O GLU A 33 -13.524 -1.571 4.190 1.00 0.00 O ATOM 571 CB GLU A 33 -14.810 1.323 3.220 1.00 0.00 C ATOM 572 CG GLU A 33 -15.350 0.396 2.090 1.00 0.00 C ATOM 573 CD GLU A 33 -16.717 -0.240 2.357 1.00 0.00 C ATOM 574 OE1 GLU A 33 -17.720 0.500 2.458 1.00 0.00 O ATOM 575 OE2 GLU A 33 -16.798 -1.474 2.529 1.00 0.00 O ATOM 0 H GLU A 33 -14.368 2.551 5.416 1.00 0.00 H new ATOM 0 HA GLU A 33 -15.374 -0.060 4.774 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -15.530 2.123 3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -13.888 1.792 2.878 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -15.411 0.974 1.168 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -14.625 -0.400 1.919 1.00 0.00 H new ATOM 582 N LEU A 34 -12.097 0.032 4.843 1.00 0.00 N ATOM 583 CA LEU A 34 -10.941 -0.891 5.034 1.00 0.00 C ATOM 584 C LEU A 34 -11.063 -1.872 6.254 1.00 0.00 C ATOM 585 O LEU A 34 -10.774 -3.051 6.074 1.00 0.00 O ATOM 586 CB LEU A 34 -9.627 -0.062 4.988 1.00 0.00 C ATOM 587 CG LEU A 34 -9.291 0.555 3.597 1.00 0.00 C ATOM 588 CD1 LEU A 34 -8.299 1.723 3.703 1.00 0.00 C ATOM 589 CD2 LEU A 34 -8.762 -0.491 2.600 1.00 0.00 C ATOM 0 H LEU A 34 -11.868 1.014 4.994 1.00 0.00 H new ATOM 0 HA LEU A 34 -10.931 -1.598 4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -9.696 0.743 5.720 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -8.800 -0.702 5.295 1.00 0.00 H new ATOM 0 HG LEU A 34 -10.236 0.940 3.214 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.096 2.120 2.708 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -8.727 2.508 4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -7.369 1.371 4.150 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.544 -0.008 1.648 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -7.852 -0.942 2.995 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -9.515 -1.265 2.450 1.00 0.00 H new ATOM 601 N GLU A 35 -11.575 -1.453 7.430 1.00 0.00 N ATOM 602 CA GLU A 35 -12.218 -2.347 8.451 1.00 0.00 C ATOM 603 C GLU A 35 -13.224 -3.421 7.887 1.00 0.00 C ATOM 604 O GLU A 35 -13.053 -4.623 8.123 1.00 0.00 O ATOM 605 CB GLU A 35 -12.885 -1.379 9.464 1.00 0.00 C ATOM 606 CG GLU A 35 -13.722 -1.971 10.630 1.00 0.00 C ATOM 607 CD GLU A 35 -14.730 -1.001 11.226 1.00 0.00 C ATOM 608 OE1 GLU A 35 -15.843 -0.848 10.682 1.00 0.00 O ATOM 609 OE2 GLU A 35 -14.460 -0.425 12.297 1.00 0.00 O ATOM 0 H GLU A 35 -11.560 -0.473 7.713 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.460 -2.984 8.907 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -12.097 -0.767 9.902 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -13.534 -0.708 8.900 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -14.252 -2.854 10.271 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -13.045 -2.303 11.417 1.00 0.00 H new ATOM 616 N LYS A 36 -14.251 -2.982 7.132 1.00 0.00 N ATOM 617 CA LYS A 36 -15.214 -3.882 6.434 1.00 0.00 C ATOM 618 C LYS A 36 -14.550 -4.867 5.411 1.00 0.00 C ATOM 619 O LYS A 36 -14.754 -6.075 5.541 1.00 0.00 O ATOM 620 CB LYS A 36 -16.334 -3.015 5.788 1.00 0.00 C ATOM 621 CG LYS A 36 -17.311 -2.310 6.774 1.00 0.00 C ATOM 622 CD LYS A 36 -18.025 -1.071 6.188 1.00 0.00 C ATOM 623 CE LYS A 36 -19.020 -1.375 5.054 1.00 0.00 C ATOM 624 NZ LYS A 36 -19.397 -0.120 4.357 1.00 0.00 N ATOM 0 H LYS A 36 -14.443 -1.991 6.984 1.00 0.00 H new ATOM 0 HA LYS A 36 -15.650 -4.545 7.181 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -15.863 -2.252 5.168 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -16.918 -3.650 5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -18.064 -3.029 7.097 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -16.756 -2.008 7.663 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -18.557 -0.562 6.992 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -17.271 -0.378 5.815 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -18.574 -2.074 4.346 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -19.910 -1.856 5.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -20.243 -0.287 3.775 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -19.600 0.620 5.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -18.612 0.188 3.748 1.00 0.00 H new ATOM 638 N ALA A 37 -13.726 -4.386 4.456 1.00 0.00 N ATOM 639 CA ALA A 37 -12.853 -5.252 3.613 1.00 0.00 C ATOM 640 C ALA A 37 -11.874 -6.225 4.357 1.00 0.00 C ATOM 641 O ALA A 37 -11.789 -7.389 3.972 1.00 0.00 O ATOM 642 CB ALA A 37 -12.111 -4.320 2.638 1.00 0.00 C ATOM 0 H ALA A 37 -13.642 -3.392 4.243 1.00 0.00 H new ATOM 0 HA ALA A 37 -13.506 -5.961 3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -11.457 -4.911 1.997 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -12.835 -3.786 2.023 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -11.515 -3.603 3.203 1.00 0.00 H new ATOM 648 N LEU A 38 -11.183 -5.790 5.426 1.00 0.00 N ATOM 649 CA LEU A 38 -10.370 -6.660 6.332 1.00 0.00 C ATOM 650 C LEU A 38 -11.140 -7.880 6.947 1.00 0.00 C ATOM 651 O LEU A 38 -10.702 -9.022 6.775 1.00 0.00 O ATOM 652 CB LEU A 38 -9.764 -5.655 7.360 1.00 0.00 C ATOM 653 CG LEU A 38 -8.682 -6.081 8.379 1.00 0.00 C ATOM 654 CD1 LEU A 38 -8.193 -4.812 9.114 1.00 0.00 C ATOM 655 CD2 LEU A 38 -9.159 -7.097 9.425 1.00 0.00 C ATOM 0 H LEU A 38 -11.166 -4.808 5.700 1.00 0.00 H new ATOM 0 HA LEU A 38 -9.591 -7.200 5.794 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.346 -4.829 6.784 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.598 -5.253 7.936 1.00 0.00 H new ATOM 0 HG LEU A 38 -7.892 -6.575 7.813 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.427 -5.085 9.840 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.775 -4.111 8.391 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -9.032 -4.344 9.629 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -8.337 -7.339 10.098 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -9.983 -6.671 9.997 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -9.497 -8.004 8.924 1.00 0.00 H new ATOM 667 N ALA A 39 -12.285 -7.655 7.624 1.00 0.00 N ATOM 668 CA ALA A 39 -13.182 -8.752 8.088 1.00 0.00 C ATOM 669 C ALA A 39 -13.852 -9.612 6.962 1.00 0.00 C ATOM 670 O ALA A 39 -13.782 -10.843 7.005 1.00 0.00 O ATOM 671 CB ALA A 39 -14.213 -8.105 9.033 1.00 0.00 C ATOM 0 H ALA A 39 -12.618 -6.722 7.866 1.00 0.00 H new ATOM 0 HA ALA A 39 -12.574 -9.498 8.600 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -14.897 -8.869 9.403 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -13.696 -7.643 9.874 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -14.776 -7.345 8.492 1.00 0.00 H new ATOM 677 N ARG A 40 -14.458 -8.971 5.946 1.00 0.00 N ATOM 678 CA ARG A 40 -15.020 -9.647 4.736 1.00 0.00 C ATOM 679 C ARG A 40 -14.022 -10.485 3.856 1.00 0.00 C ATOM 680 O ARG A 40 -14.423 -11.511 3.300 1.00 0.00 O ATOM 681 CB ARG A 40 -15.729 -8.499 3.965 1.00 0.00 C ATOM 682 CG ARG A 40 -16.644 -8.866 2.777 1.00 0.00 C ATOM 683 CD ARG A 40 -17.176 -7.583 2.105 1.00 0.00 C ATOM 684 NE ARG A 40 -18.107 -7.920 0.998 1.00 0.00 N ATOM 685 CZ ARG A 40 -18.653 -7.037 0.157 1.00 0.00 C ATOM 686 NH1 ARG A 40 -18.402 -5.750 0.187 1.00 0.00 N ATOM 687 NH2 ARG A 40 -19.480 -7.478 -0.746 1.00 0.00 N ATOM 0 H ARG A 40 -14.578 -7.958 5.931 1.00 0.00 H new ATOM 0 HA ARG A 40 -15.695 -10.448 5.037 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -16.327 -7.937 4.683 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -14.958 -7.823 3.594 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -16.091 -9.463 2.052 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -17.477 -9.477 3.124 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -17.688 -6.965 2.843 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -16.343 -6.995 1.720 1.00 0.00 H new ATOM 0 HE ARG A 40 -18.349 -8.903 0.870 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -17.757 -5.372 0.881 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -18.852 -5.127 -0.484 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -19.695 -8.474 -0.798 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -19.913 -6.828 -1.402 1.00 0.00 H new ATOM 701 N ALA A 41 -12.743 -10.082 3.750 1.00 0.00 N ATOM 702 CA ALA A 41 -11.656 -10.913 3.161 1.00 0.00 C ATOM 703 C ALA A 41 -11.263 -12.236 3.902 1.00 0.00 C ATOM 704 O ALA A 41 -10.852 -13.187 3.230 1.00 0.00 O ATOM 705 CB ALA A 41 -10.430 -9.985 3.023 1.00 0.00 C ATOM 0 H ALA A 41 -12.424 -9.167 4.070 1.00 0.00 H new ATOM 0 HA ALA A 41 -12.039 -11.295 2.215 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -9.598 -10.543 2.594 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.679 -9.147 2.372 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.146 -9.608 4.006 1.00 0.00 H new ATOM 711 N GLY A 42 -11.340 -12.303 5.249 1.00 0.00 N ATOM 712 CA GLY A 42 -10.968 -13.524 6.020 1.00 0.00 C ATOM 713 C GLY A 42 -9.452 -13.786 6.143 1.00 0.00 C ATOM 714 O GLY A 42 -8.927 -14.715 5.524 1.00 0.00 O ATOM 0 H GLY A 42 -11.656 -11.528 5.832 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -11.389 -13.444 7.022 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -11.433 -14.389 5.547 1.00 0.00 H new ATOM 718 N ALA A 43 -8.749 -12.952 6.920 1.00 0.00 N ATOM 719 CA ALA A 43 -7.270 -12.870 6.861 1.00 0.00 C ATOM 720 C ALA A 43 -6.534 -13.416 8.122 1.00 0.00 C ATOM 721 O ALA A 43 -6.961 -13.211 9.264 1.00 0.00 O ATOM 722 CB ALA A 43 -6.971 -11.383 6.619 1.00 0.00 C ATOM 0 H ALA A 43 -9.174 -12.321 7.600 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.891 -13.515 6.068 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -5.893 -11.233 6.562 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.431 -11.067 5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -7.376 -10.792 7.440 1.00 0.00 H new ATOM 728 N ARG A 44 -5.388 -14.084 7.901 1.00 0.00 N ATOM 729 CA ARG A 44 -4.516 -14.581 9.008 1.00 0.00 C ATOM 730 C ARG A 44 -3.479 -13.533 9.538 1.00 0.00 C ATOM 731 O ARG A 44 -3.309 -13.441 10.757 1.00 0.00 O ATOM 732 CB ARG A 44 -3.810 -15.907 8.603 1.00 0.00 C ATOM 733 CG ARG A 44 -4.734 -17.098 8.238 1.00 0.00 C ATOM 734 CD ARG A 44 -3.973 -18.432 8.096 1.00 0.00 C ATOM 735 NE ARG A 44 -4.838 -19.442 7.419 1.00 0.00 N ATOM 736 CZ ARG A 44 -4.713 -19.844 6.153 1.00 0.00 C ATOM 737 NH1 ARG A 44 -3.700 -19.554 5.386 1.00 0.00 N ATOM 738 NH2 ARG A 44 -5.647 -20.570 5.614 1.00 0.00 N ATOM 0 H ARG A 44 -5.034 -14.298 6.969 1.00 0.00 H new ATOM 0 HA ARG A 44 -5.188 -14.770 9.845 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -3.163 -15.703 7.750 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -3.165 -16.215 9.426 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -5.501 -17.204 9.005 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.248 -16.878 7.302 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -3.059 -18.280 7.522 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -3.675 -18.797 9.079 1.00 0.00 H new ATOM 0 HE ARG A 44 -5.588 -19.860 7.970 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.935 -18.984 5.746 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.673 -19.897 4.426 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -6.470 -20.829 6.159 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -5.557 -20.880 4.647 1.00 0.00 H new ATOM 752 N ASN A 45 -2.766 -12.794 8.658 1.00 0.00 N ATOM 753 CA ASN A 45 -1.678 -11.859 9.059 1.00 0.00 C ATOM 754 C ASN A 45 -1.991 -10.441 8.476 1.00 0.00 C ATOM 755 O ASN A 45 -1.766 -10.188 7.289 1.00 0.00 O ATOM 756 CB ASN A 45 -0.302 -12.390 8.543 1.00 0.00 C ATOM 757 CG ASN A 45 0.138 -13.813 8.919 1.00 0.00 C ATOM 758 OD1 ASN A 45 0.637 -14.087 10.002 1.00 0.00 O ATOM 759 ND2 ASN A 45 0.022 -14.762 8.022 1.00 0.00 N ATOM 0 H ASN A 45 -2.924 -12.825 7.651 1.00 0.00 H new ATOM 0 HA ASN A 45 -1.622 -11.790 10.145 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -0.312 -12.326 7.455 1.00 0.00 H new ATOM 0 HB3 ASN A 45 0.468 -11.704 8.896 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.345 -15.706 8.234 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.391 -14.556 7.112 1.00 0.00 H new ATOM 766 N VAL A 46 -2.525 -9.505 9.278 1.00 0.00 N ATOM 767 CA VAL A 46 -2.961 -8.164 8.767 1.00 0.00 C ATOM 768 C VAL A 46 -1.966 -7.085 9.293 1.00 0.00 C ATOM 769 O VAL A 46 -1.884 -6.830 10.497 1.00 0.00 O ATOM 770 CB VAL A 46 -4.443 -7.837 9.135 1.00 0.00 C ATOM 771 CG1 VAL A 46 -4.931 -6.530 8.473 1.00 0.00 C ATOM 772 CG2 VAL A 46 -5.463 -8.940 8.771 1.00 0.00 C ATOM 0 H VAL A 46 -2.671 -9.636 10.279 1.00 0.00 H new ATOM 0 HA VAL A 46 -2.937 -8.173 7.677 1.00 0.00 H new ATOM 0 HB VAL A 46 -4.411 -7.745 10.221 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -5.967 -6.343 8.757 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.308 -5.699 8.805 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -4.863 -6.624 7.389 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.463 -8.622 9.065 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -5.440 -9.117 7.696 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -5.206 -9.860 9.296 1.00 0.00 H new ATOM 782 N GLN A 47 -1.231 -6.438 8.381 1.00 0.00 N ATOM 783 CA GLN A 47 -0.138 -5.496 8.726 1.00 0.00 C ATOM 784 C GLN A 47 -0.569 -4.018 8.447 1.00 0.00 C ATOM 785 O GLN A 47 -0.511 -3.534 7.313 1.00 0.00 O ATOM 786 CB GLN A 47 1.097 -6.019 7.944 1.00 0.00 C ATOM 787 CG GLN A 47 2.430 -5.347 8.329 1.00 0.00 C ATOM 788 CD GLN A 47 3.645 -5.913 7.588 1.00 0.00 C ATOM 789 OE1 GLN A 47 3.965 -5.511 6.474 1.00 0.00 O ATOM 790 NE2 GLN A 47 4.368 -6.847 8.164 1.00 0.00 N ATOM 0 H GLN A 47 -1.371 -6.547 7.377 1.00 0.00 H new ATOM 0 HA GLN A 47 0.113 -5.464 9.786 1.00 0.00 H new ATOM 0 HB2 GLN A 47 1.186 -7.093 8.107 1.00 0.00 H new ATOM 0 HB3 GLN A 47 0.925 -5.871 6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 47 2.359 -4.278 8.127 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.586 -5.459 9.402 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.113 -7.190 9.090 1.00 0.00 H new ATOM 0 HE22 GLN A 47 5.184 -7.228 7.685 1.00 0.00 H new ATOM 799 N ILE A 48 -1.005 -3.294 9.494 1.00 0.00 N ATOM 800 CA ILE A 48 -1.485 -1.883 9.379 1.00 0.00 C ATOM 801 C ILE A 48 -0.259 -0.949 9.645 1.00 0.00 C ATOM 802 O ILE A 48 0.198 -0.844 10.786 1.00 0.00 O ATOM 803 CB ILE A 48 -2.687 -1.593 10.360 1.00 0.00 C ATOM 804 CG1 ILE A 48 -3.946 -2.502 10.182 1.00 0.00 C ATOM 805 CG2 ILE A 48 -3.154 -0.114 10.281 1.00 0.00 C ATOM 806 CD1 ILE A 48 -3.889 -3.831 10.957 1.00 0.00 C ATOM 0 H ILE A 48 -1.039 -3.659 10.446 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.880 -1.696 8.380 1.00 0.00 H new ATOM 0 HB ILE A 48 -2.259 -1.825 11.335 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -4.828 -1.947 10.502 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -4.074 -2.720 9.122 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -3.983 0.043 10.972 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -2.327 0.543 10.550 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -3.480 0.111 9.266 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -4.802 -4.397 10.776 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -3.030 -4.411 10.621 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -3.795 -3.627 12.023 1.00 0.00 H new ATOM 818 N THR A 49 0.260 -0.261 8.612 1.00 0.00 N ATOM 819 CA THR A 49 1.352 0.743 8.795 1.00 0.00 C ATOM 820 C THR A 49 0.791 2.152 8.464 1.00 0.00 C ATOM 821 O THR A 49 0.528 2.461 7.297 1.00 0.00 O ATOM 822 CB THR A 49 2.608 0.364 7.958 1.00 0.00 C ATOM 823 OG1 THR A 49 2.984 -0.981 8.240 1.00 0.00 O ATOM 824 CG2 THR A 49 3.839 1.237 8.263 1.00 0.00 C ATOM 0 H THR A 49 -0.048 -0.372 7.646 1.00 0.00 H new ATOM 0 HA THR A 49 1.690 0.752 9.831 1.00 0.00 H new ATOM 0 HB THR A 49 2.322 0.513 6.917 1.00 0.00 H new ATOM 0 HG1 THR A 49 3.774 -1.218 7.711 1.00 0.00 H new ATOM 0 HG21 THR A 49 4.676 0.915 7.643 1.00 0.00 H new ATOM 0 HG22 THR A 49 3.608 2.280 8.048 1.00 0.00 H new ATOM 0 HG23 THR A 49 4.106 1.134 9.315 1.00 0.00 H new ATOM 832 N ILE A 50 0.627 3.011 9.490 1.00 0.00 N ATOM 833 CA ILE A 50 0.294 4.447 9.273 1.00 0.00 C ATOM 834 C ILE A 50 1.593 5.311 9.358 1.00 0.00 C ATOM 835 O ILE A 50 2.191 5.454 10.430 1.00 0.00 O ATOM 836 CB ILE A 50 -0.936 4.932 10.113 1.00 0.00 C ATOM 837 CG1 ILE A 50 -1.626 6.225 9.586 1.00 0.00 C ATOM 838 CG2 ILE A 50 -0.715 5.017 11.635 1.00 0.00 C ATOM 839 CD1 ILE A 50 -0.799 7.519 9.506 1.00 0.00 C ATOM 0 H ILE A 50 0.717 2.746 10.471 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.078 4.586 8.258 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.631 4.108 9.951 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.007 6.013 8.587 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -2.489 6.422 10.222 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.630 5.363 12.117 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -0.452 4.032 12.020 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.094 5.717 11.847 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.422 8.326 9.120 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.439 7.782 10.500 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.051 7.367 8.840 1.00 0.00 H new ATOM 851 N SER A 51 2.012 5.904 8.223 1.00 0.00 N ATOM 852 CA SER A 51 3.148 6.870 8.203 1.00 0.00 C ATOM 853 C SER A 51 2.661 8.308 8.585 1.00 0.00 C ATOM 854 O SER A 51 2.092 9.028 7.757 1.00 0.00 O ATOM 855 CB SER A 51 3.852 6.788 6.829 1.00 0.00 C ATOM 856 OG SER A 51 5.138 7.405 6.874 1.00 0.00 O ATOM 0 H SER A 51 1.590 5.738 7.310 1.00 0.00 H new ATOM 0 HA SER A 51 3.888 6.609 8.960 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.956 5.744 6.532 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.237 7.275 6.072 1.00 0.00 H new ATOM 0 HG SER A 51 5.564 7.339 5.994 1.00 0.00 H new ATOM 862 N ALA A 52 2.826 8.691 9.866 1.00 0.00 N ATOM 863 CA ALA A 52 2.297 9.976 10.398 1.00 0.00 C ATOM 864 C ALA A 52 3.315 11.159 10.321 1.00 0.00 C ATOM 865 O ALA A 52 4.539 10.981 10.320 1.00 0.00 O ATOM 866 CB ALA A 52 1.841 9.697 11.845 1.00 0.00 C ATOM 0 H ALA A 52 3.322 8.131 10.559 1.00 0.00 H new ATOM 0 HA ALA A 52 1.466 10.312 9.778 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.443 10.612 12.284 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.067 8.929 11.841 1.00 0.00 H new ATOM 0 HB3 ALA A 52 2.691 9.352 12.434 1.00 0.00 H new ATOM 872 N GLU A 53 2.786 12.390 10.299 1.00 0.00 N ATOM 873 CA GLU A 53 3.606 13.639 10.254 1.00 0.00 C ATOM 874 C GLU A 53 4.256 14.047 11.621 1.00 0.00 C ATOM 875 O GLU A 53 5.418 14.457 11.651 1.00 0.00 O ATOM 876 CB GLU A 53 2.713 14.792 9.702 1.00 0.00 C ATOM 877 CG GLU A 53 2.093 14.593 8.289 1.00 0.00 C ATOM 878 CD GLU A 53 0.706 15.166 8.033 1.00 0.00 C ATOM 879 OE1 GLU A 53 0.297 16.161 8.663 1.00 0.00 O ATOM 880 OE2 GLU A 53 0.021 14.652 7.119 1.00 0.00 O ATOM 0 H GLU A 53 1.781 12.563 10.311 1.00 0.00 H new ATOM 0 HA GLU A 53 4.453 13.442 9.597 1.00 0.00 H new ATOM 0 HB2 GLU A 53 1.899 14.958 10.408 1.00 0.00 H new ATOM 0 HB3 GLU A 53 3.310 15.704 9.684 1.00 0.00 H new ATOM 0 HG2 GLU A 53 2.775 15.030 7.560 1.00 0.00 H new ATOM 0 HG3 GLU A 53 2.055 13.522 8.088 1.00 0.00 H new ATOM 887 N ASN A 54 3.493 13.972 12.728 1.00 0.00 N ATOM 888 CA ASN A 54 3.942 14.407 14.081 1.00 0.00 C ATOM 889 C ASN A 54 3.840 13.243 15.127 1.00 0.00 C ATOM 890 O ASN A 54 3.029 12.316 15.008 1.00 0.00 O ATOM 891 CB ASN A 54 3.081 15.630 14.526 1.00 0.00 C ATOM 892 CG ASN A 54 3.302 16.938 13.755 1.00 0.00 C ATOM 893 OD1 ASN A 54 4.192 17.726 14.050 1.00 0.00 O ATOM 894 ND2 ASN A 54 2.498 17.224 12.758 1.00 0.00 N ATOM 0 H ASN A 54 2.541 13.607 12.717 1.00 0.00 H new ATOM 0 HA ASN A 54 4.992 14.693 14.030 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.029 15.357 14.440 1.00 0.00 H new ATOM 0 HB3 ASN A 54 3.276 15.819 15.582 1.00 0.00 H new ATOM 0 HD21 ASN A 54 2.618 18.094 12.239 1.00 0.00 H new ATOM 0 HD22 ASN A 54 1.753 16.576 12.502 1.00 0.00 H new ATOM 901 N ASP A 55 4.620 13.356 16.217 1.00 0.00 N ATOM 902 CA ASP A 55 4.399 12.587 17.483 1.00 0.00 C ATOM 903 C ASP A 55 2.954 12.647 18.102 1.00 0.00 C ATOM 904 O ASP A 55 2.341 11.599 18.336 1.00 0.00 O ATOM 905 CB ASP A 55 5.505 12.986 18.505 1.00 0.00 C ATOM 906 CG ASP A 55 5.650 14.466 18.911 1.00 0.00 C ATOM 907 OD1 ASP A 55 4.778 15.297 18.565 1.00 0.00 O ATOM 908 OD2 ASP A 55 6.657 14.797 19.568 1.00 0.00 O ATOM 0 H ASP A 55 5.426 13.980 16.258 1.00 0.00 H new ATOM 0 HA ASP A 55 4.479 11.533 17.217 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.335 12.411 19.415 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.462 12.662 18.097 1.00 0.00 H new ATOM 913 N GLU A 56 2.387 13.855 18.290 1.00 0.00 N ATOM 914 CA GLU A 56 0.955 14.053 18.656 1.00 0.00 C ATOM 915 C GLU A 56 -0.099 13.411 17.688 1.00 0.00 C ATOM 916 O GLU A 56 -1.114 12.918 18.177 1.00 0.00 O ATOM 917 CB GLU A 56 0.673 15.562 18.900 1.00 0.00 C ATOM 918 CG GLU A 56 1.143 16.131 20.269 1.00 0.00 C ATOM 919 CD GLU A 56 0.420 15.602 21.507 1.00 0.00 C ATOM 920 OE1 GLU A 56 -0.831 15.585 21.517 1.00 0.00 O ATOM 921 OE2 GLU A 56 1.096 15.159 22.457 1.00 0.00 O ATOM 0 H GLU A 56 2.904 14.729 18.194 1.00 0.00 H new ATOM 0 HA GLU A 56 0.815 13.492 19.580 1.00 0.00 H new ATOM 0 HB2 GLU A 56 1.154 16.134 18.107 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -0.400 15.730 18.808 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.207 15.922 20.379 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.032 17.215 20.245 1.00 0.00 H new ATOM 928 N GLN A 57 0.153 13.337 16.367 1.00 0.00 N ATOM 929 CA GLN A 57 -0.593 12.410 15.461 1.00 0.00 C ATOM 930 C GLN A 57 -0.361 10.894 15.784 1.00 0.00 C ATOM 931 O GLN A 57 -1.335 10.186 16.045 1.00 0.00 O ATOM 932 CB GLN A 57 -0.259 12.708 13.976 1.00 0.00 C ATOM 933 CG GLN A 57 -0.781 14.042 13.390 1.00 0.00 C ATOM 934 CD GLN A 57 -0.412 14.246 11.912 1.00 0.00 C ATOM 935 OE1 GLN A 57 0.108 13.369 11.226 1.00 0.00 O ATOM 936 NE2 GLN A 57 -0.653 15.423 11.386 1.00 0.00 N ATOM 0 H GLN A 57 0.861 13.900 15.895 1.00 0.00 H new ATOM 0 HA GLN A 57 -1.651 12.601 15.640 1.00 0.00 H new ATOM 0 HB2 GLN A 57 0.825 12.690 13.863 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -0.656 11.894 13.370 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -1.865 14.076 13.494 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -0.379 14.869 13.975 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -1.084 16.155 11.950 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -0.409 15.606 10.413 1.00 0.00 H new ATOM 945 N ALA A 58 0.895 10.399 15.787 1.00 0.00 N ATOM 946 CA ALA A 58 1.239 8.989 16.122 1.00 0.00 C ATOM 947 C ALA A 58 0.651 8.381 17.441 1.00 0.00 C ATOM 948 O ALA A 58 0.127 7.267 17.403 1.00 0.00 O ATOM 949 CB ALA A 58 2.777 8.916 16.092 1.00 0.00 C ATOM 0 H ALA A 58 1.710 10.967 15.556 1.00 0.00 H new ATOM 0 HA ALA A 58 0.752 8.355 15.381 1.00 0.00 H new ATOM 0 HB1 ALA A 58 3.098 7.902 16.331 1.00 0.00 H new ATOM 0 HB2 ALA A 58 3.135 9.185 15.098 1.00 0.00 H new ATOM 0 HB3 ALA A 58 3.189 9.609 16.826 1.00 0.00 H new ATOM 955 N LYS A 59 0.682 9.106 18.576 1.00 0.00 N ATOM 956 CA LYS A 59 -0.025 8.692 19.829 1.00 0.00 C ATOM 957 C LYS A 59 -1.580 8.489 19.739 1.00 0.00 C ATOM 958 O LYS A 59 -2.070 7.434 20.151 1.00 0.00 O ATOM 959 CB LYS A 59 0.397 9.585 21.031 1.00 0.00 C ATOM 960 CG LYS A 59 0.179 11.116 20.896 1.00 0.00 C ATOM 961 CD LYS A 59 -0.547 11.835 22.064 1.00 0.00 C ATOM 962 CE LYS A 59 -1.989 12.306 21.774 1.00 0.00 C ATOM 963 NZ LYS A 59 -2.036 13.366 20.727 1.00 0.00 N ATOM 0 H LYS A 59 1.188 9.987 18.662 1.00 0.00 H new ATOM 0 HA LYS A 59 0.323 7.673 20.001 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -0.148 9.244 21.911 1.00 0.00 H new ATOM 0 HB3 LYS A 59 1.456 9.411 21.224 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.154 11.586 20.764 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -0.388 11.297 19.983 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -0.571 11.162 22.921 1.00 0.00 H new ATOM 0 HD3 LYS A 59 0.046 12.702 22.356 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.590 11.455 21.454 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -2.437 12.685 22.693 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.025 13.627 20.541 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -1.513 14.203 21.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -1.602 13.009 19.852 1.00 0.00 H new ATOM 977 N GLU A 60 -2.353 9.450 19.197 1.00 0.00 N ATOM 978 CA GLU A 60 -3.812 9.245 18.925 1.00 0.00 C ATOM 979 C GLU A 60 -4.173 8.310 17.720 1.00 0.00 C ATOM 980 O GLU A 60 -5.156 7.573 17.810 1.00 0.00 O ATOM 981 CB GLU A 60 -4.557 10.602 18.940 1.00 0.00 C ATOM 982 CG GLU A 60 -4.209 11.664 17.864 1.00 0.00 C ATOM 983 CD GLU A 60 -4.658 13.075 18.226 1.00 0.00 C ATOM 984 OE1 GLU A 60 -4.219 13.606 19.272 1.00 0.00 O ATOM 985 OE2 GLU A 60 -5.447 13.661 17.459 1.00 0.00 O ATOM 0 H GLU A 60 -2.006 10.373 18.936 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.189 8.646 19.754 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.624 10.392 18.862 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.392 11.057 19.917 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.131 11.666 17.703 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.671 11.376 16.920 1.00 0.00 H new ATOM 992 N LEU A 61 -3.371 8.263 16.643 1.00 0.00 N ATOM 993 CA LEU A 61 -3.459 7.199 15.596 1.00 0.00 C ATOM 994 C LEU A 61 -3.152 5.734 16.081 1.00 0.00 C ATOM 995 O LEU A 61 -3.878 4.815 15.693 1.00 0.00 O ATOM 996 CB LEU A 61 -2.579 7.605 14.382 1.00 0.00 C ATOM 997 CG LEU A 61 -3.017 8.855 13.565 1.00 0.00 C ATOM 998 CD1 LEU A 61 -1.893 9.263 12.604 1.00 0.00 C ATOM 999 CD2 LEU A 61 -4.307 8.628 12.756 1.00 0.00 C ATOM 0 H LEU A 61 -2.642 8.953 16.462 1.00 0.00 H new ATOM 0 HA LEU A 61 -4.508 7.146 15.306 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -1.565 7.778 14.744 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.534 6.756 13.700 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.220 9.645 14.288 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -2.202 10.139 12.033 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.995 9.500 13.174 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.682 8.440 11.921 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -4.558 9.537 12.209 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -4.155 7.811 12.051 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -5.122 8.376 13.434 1.00 0.00 H new ATOM 1011 N LEU A 62 -2.152 5.509 16.965 1.00 0.00 N ATOM 1012 CA LEU A 62 -2.048 4.275 17.809 1.00 0.00 C ATOM 1013 C LEU A 62 -3.358 3.864 18.559 1.00 0.00 C ATOM 1014 O LEU A 62 -3.837 2.742 18.375 1.00 0.00 O ATOM 1015 CB LEU A 62 -0.813 4.471 18.747 1.00 0.00 C ATOM 1016 CG LEU A 62 -0.531 3.434 19.872 1.00 0.00 C ATOM 1017 CD1 LEU A 62 -0.271 2.011 19.354 1.00 0.00 C ATOM 1018 CD2 LEU A 62 0.668 3.892 20.719 1.00 0.00 C ATOM 0 H LEU A 62 -1.391 6.171 17.120 1.00 0.00 H new ATOM 0 HA LEU A 62 -1.901 3.412 17.160 1.00 0.00 H new ATOM 0 HB2 LEU A 62 0.073 4.515 18.114 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.915 5.447 19.221 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.438 3.389 20.474 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -0.083 1.346 20.197 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.143 1.660 18.802 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.597 2.017 18.695 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.859 3.161 21.504 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.549 3.981 20.084 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.447 4.859 21.170 1.00 0.00 H new ATOM 1030 N GLU A 63 -3.945 4.777 19.352 1.00 0.00 N ATOM 1031 CA GLU A 63 -5.263 4.559 20.012 1.00 0.00 C ATOM 1032 C GLU A 63 -6.475 4.357 19.024 1.00 0.00 C ATOM 1033 O GLU A 63 -7.221 3.388 19.171 1.00 0.00 O ATOM 1034 CB GLU A 63 -5.440 5.676 21.089 1.00 0.00 C ATOM 1035 CG GLU A 63 -5.879 5.180 22.494 1.00 0.00 C ATOM 1036 CD GLU A 63 -7.357 4.918 22.710 1.00 0.00 C ATOM 1037 OE1 GLU A 63 -7.922 3.969 22.144 1.00 0.00 O ATOM 1038 OE2 GLU A 63 -7.989 5.700 23.445 1.00 0.00 O ATOM 0 H GLU A 63 -3.529 5.685 19.559 1.00 0.00 H new ATOM 0 HA GLU A 63 -5.266 3.591 20.513 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -4.497 6.213 21.190 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -6.178 6.392 20.728 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -5.338 4.259 22.710 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -5.557 5.919 23.228 1.00 0.00 H new ATOM 1045 N LEU A 64 -6.620 5.179 17.959 1.00 0.00 N ATOM 1046 CA LEU A 64 -7.588 4.942 16.841 1.00 0.00 C ATOM 1047 C LEU A 64 -7.500 3.549 16.124 1.00 0.00 C ATOM 1048 O LEU A 64 -8.532 2.888 15.967 1.00 0.00 O ATOM 1049 CB LEU A 64 -7.448 6.128 15.843 1.00 0.00 C ATOM 1050 CG LEU A 64 -8.471 6.210 14.674 1.00 0.00 C ATOM 1051 CD1 LEU A 64 -9.885 6.565 15.164 1.00 0.00 C ATOM 1052 CD2 LEU A 64 -8.018 7.242 13.627 1.00 0.00 C ATOM 0 H LEU A 64 -6.071 6.031 17.842 1.00 0.00 H new ATOM 0 HA LEU A 64 -8.584 4.901 17.283 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -7.513 7.055 16.412 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.448 6.088 15.412 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.509 5.220 14.220 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -10.564 6.611 14.313 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -10.230 5.803 15.863 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.864 7.533 15.664 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -8.747 7.284 12.818 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -7.938 8.223 14.094 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -7.047 6.951 13.226 1.00 0.00 H new ATOM 1064 N ILE A 65 -6.301 3.092 15.707 1.00 0.00 N ATOM 1065 CA ILE A 65 -6.101 1.700 15.184 1.00 0.00 C ATOM 1066 C ILE A 65 -6.392 0.610 16.284 1.00 0.00 C ATOM 1067 O ILE A 65 -7.143 -0.323 15.999 1.00 0.00 O ATOM 1068 CB ILE A 65 -4.705 1.549 14.474 1.00 0.00 C ATOM 1069 CG1 ILE A 65 -4.513 2.479 13.238 1.00 0.00 C ATOM 1070 CG2 ILE A 65 -4.437 0.089 14.012 1.00 0.00 C ATOM 1071 CD1 ILE A 65 -3.048 2.661 12.799 1.00 0.00 C ATOM 0 H ILE A 65 -5.451 3.656 15.717 1.00 0.00 H new ATOM 0 HA ILE A 65 -6.844 1.517 14.407 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.992 1.846 15.244 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.082 2.073 12.402 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.935 3.458 13.466 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -3.462 0.034 13.528 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.451 -0.575 14.877 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.210 -0.217 13.307 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -3.007 3.322 11.933 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -2.475 3.098 13.617 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -2.624 1.692 12.536 1.00 0.00 H new ATOM 1083 N ALA A 66 -5.857 0.714 17.520 1.00 0.00 N ATOM 1084 CA ALA A 66 -6.242 -0.180 18.652 1.00 0.00 C ATOM 1085 C ALA A 66 -7.778 -0.302 18.962 1.00 0.00 C ATOM 1086 O ALA A 66 -8.276 -1.428 19.037 1.00 0.00 O ATOM 1087 CB ALA A 66 -5.407 0.251 19.872 1.00 0.00 C ATOM 0 H ALA A 66 -5.153 1.410 17.767 1.00 0.00 H new ATOM 0 HA ALA A 66 -6.015 -1.204 18.356 1.00 0.00 H new ATOM 0 HB1 ALA A 66 -5.658 -0.379 20.725 1.00 0.00 H new ATOM 0 HB2 ALA A 66 -4.347 0.146 19.643 1.00 0.00 H new ATOM 0 HB3 ALA A 66 -5.625 1.292 20.113 1.00 0.00 H new ATOM 1093 N ARG A 67 -8.541 0.814 19.025 1.00 0.00 N ATOM 1094 CA ARG A 67 -10.044 0.802 19.002 1.00 0.00 C ATOM 1095 C ARG A 67 -10.698 -0.030 17.849 1.00 0.00 C ATOM 1096 O ARG A 67 -11.556 -0.880 18.105 1.00 0.00 O ATOM 1097 CB ARG A 67 -10.599 2.257 18.930 1.00 0.00 C ATOM 1098 CG ARG A 67 -10.377 3.107 20.195 1.00 0.00 C ATOM 1099 CD ARG A 67 -10.801 4.577 20.022 1.00 0.00 C ATOM 1100 NE ARG A 67 -10.222 5.355 21.148 1.00 0.00 N ATOM 1101 CZ ARG A 67 -10.499 6.624 21.440 1.00 0.00 C ATOM 1102 NH1 ARG A 67 -11.418 7.329 20.833 1.00 0.00 N ATOM 1103 NH2 ARG A 67 -9.820 7.194 22.389 1.00 0.00 N ATOM 0 H ARG A 67 -8.145 1.751 19.093 1.00 0.00 H new ATOM 0 HA ARG A 67 -10.318 0.305 19.933 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -10.134 2.765 18.085 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -11.669 2.211 18.726 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -10.937 2.669 21.021 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -9.323 3.070 20.469 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -10.447 4.966 19.067 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -11.888 4.663 20.018 1.00 0.00 H new ATOM 0 HE ARG A 67 -9.554 4.874 21.750 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -11.973 6.910 20.087 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -11.580 8.298 21.106 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -9.099 6.670 22.886 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -10.007 8.165 22.638 1.00 0.00 H new ATOM 1117 N LEU A 68 -10.276 0.217 16.594 1.00 0.00 N ATOM 1118 CA LEU A 68 -10.675 -0.579 15.405 1.00 0.00 C ATOM 1119 C LEU A 68 -10.381 -2.120 15.506 1.00 0.00 C ATOM 1120 O LEU A 68 -11.275 -2.936 15.288 1.00 0.00 O ATOM 1121 CB LEU A 68 -9.950 0.102 14.206 1.00 0.00 C ATOM 1122 CG LEU A 68 -10.517 -0.227 12.801 1.00 0.00 C ATOM 1123 CD1 LEU A 68 -11.571 0.823 12.406 1.00 0.00 C ATOM 1124 CD2 LEU A 68 -9.394 -0.269 11.751 1.00 0.00 C ATOM 0 H LEU A 68 -9.641 0.983 16.369 1.00 0.00 H new ATOM 0 HA LEU A 68 -11.759 -0.570 15.293 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -9.988 1.182 14.349 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -8.899 -0.186 14.230 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.984 -1.211 12.839 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.967 0.588 11.418 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -12.383 0.815 13.133 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.111 1.811 12.387 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -9.818 -0.502 10.774 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.898 0.701 11.710 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -8.669 -1.036 12.024 1.00 0.00 H new ATOM 1136 N LEU A 69 -9.151 -2.499 15.882 1.00 0.00 N ATOM 1137 CA LEU A 69 -8.735 -3.911 16.141 1.00 0.00 C ATOM 1138 C LEU A 69 -9.436 -4.629 17.344 1.00 0.00 C ATOM 1139 O LEU A 69 -9.821 -5.794 17.208 1.00 0.00 O ATOM 1140 CB LEU A 69 -7.193 -3.892 16.309 1.00 0.00 C ATOM 1141 CG LEU A 69 -6.360 -3.386 15.098 1.00 0.00 C ATOM 1142 CD1 LEU A 69 -4.902 -3.216 15.532 1.00 0.00 C ATOM 1143 CD2 LEU A 69 -6.512 -4.275 13.854 1.00 0.00 C ATOM 0 H LEU A 69 -8.393 -1.830 16.021 1.00 0.00 H new ATOM 0 HA LEU A 69 -9.059 -4.513 15.292 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -6.953 -3.268 17.170 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -6.865 -4.904 16.547 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.749 -2.416 14.789 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -4.310 -2.861 14.688 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -4.846 -2.491 16.344 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -4.510 -4.174 15.873 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -5.907 -3.871 13.042 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.178 -5.286 14.087 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.558 -4.299 13.550 1.00 0.00 H new ATOM 1155 N GLN A 70 -9.640 -3.944 18.488 1.00 0.00 N ATOM 1156 CA GLN A 70 -10.544 -4.414 19.582 1.00 0.00 C ATOM 1157 C GLN A 70 -12.044 -4.621 19.152 1.00 0.00 C ATOM 1158 O GLN A 70 -12.622 -5.662 19.471 1.00 0.00 O ATOM 1159 CB GLN A 70 -10.428 -3.426 20.779 1.00 0.00 C ATOM 1160 CG GLN A 70 -9.070 -3.436 21.532 1.00 0.00 C ATOM 1161 CD GLN A 70 -8.931 -2.310 22.560 1.00 0.00 C ATOM 1162 OE1 GLN A 70 -8.644 -1.163 22.235 1.00 0.00 O ATOM 1163 NE2 GLN A 70 -9.121 -2.585 23.826 1.00 0.00 N ATOM 0 H GLN A 70 -9.189 -3.051 18.688 1.00 0.00 H new ATOM 0 HA GLN A 70 -10.210 -5.411 19.870 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -10.611 -2.416 20.412 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -11.220 -3.654 21.493 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -8.951 -4.395 22.037 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -8.261 -3.356 20.806 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -9.360 -3.535 24.111 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -9.030 -1.850 24.527 1.00 0.00 H new ATOM 1172 N LYS A 71 -12.650 -3.675 18.399 1.00 0.00 N ATOM 1173 CA LYS A 71 -13.934 -3.897 17.663 1.00 0.00 C ATOM 1174 C LYS A 71 -13.939 -5.097 16.643 1.00 0.00 C ATOM 1175 O LYS A 71 -14.878 -5.894 16.662 1.00 0.00 O ATOM 1176 CB LYS A 71 -14.292 -2.532 17.003 1.00 0.00 C ATOM 1177 CG LYS A 71 -15.642 -2.456 16.245 1.00 0.00 C ATOM 1178 CD LYS A 71 -15.714 -1.213 15.334 1.00 0.00 C ATOM 1179 CE LYS A 71 -16.964 -1.198 14.432 1.00 0.00 C ATOM 1180 NZ LYS A 71 -16.816 -0.123 13.418 1.00 0.00 N ATOM 0 H LYS A 71 -12.271 -2.736 18.279 1.00 0.00 H new ATOM 0 HA LYS A 71 -14.698 -4.218 18.371 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -14.296 -1.769 17.781 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -13.496 -2.272 16.306 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -15.773 -3.356 15.644 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -16.462 -2.429 16.963 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -15.708 -0.315 15.952 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -14.822 -1.175 14.709 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -17.086 -2.164 13.942 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -17.859 -1.030 15.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -17.294 -0.407 12.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -17.244 0.754 13.777 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -15.806 0.037 13.227 1.00 0.00 H new ATOM 1194 N LEU A 72 -12.925 -5.222 15.764 1.00 0.00 N ATOM 1195 CA LEU A 72 -12.771 -6.383 14.834 1.00 0.00 C ATOM 1196 C LEU A 72 -12.598 -7.785 15.516 1.00 0.00 C ATOM 1197 O LEU A 72 -13.263 -8.737 15.099 1.00 0.00 O ATOM 1198 CB LEU A 72 -11.590 -6.079 13.862 1.00 0.00 C ATOM 1199 CG LEU A 72 -11.825 -4.993 12.776 1.00 0.00 C ATOM 1200 CD1 LEU A 72 -10.487 -4.449 12.245 1.00 0.00 C ATOM 1201 CD2 LEU A 72 -12.654 -5.536 11.600 1.00 0.00 C ATOM 0 H LEU A 72 -12.184 -4.527 15.671 1.00 0.00 H new ATOM 0 HA LEU A 72 -13.716 -6.479 14.299 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -10.730 -5.778 14.460 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.320 -7.007 13.358 1.00 0.00 H new ATOM 0 HG LEU A 72 -12.382 -4.185 13.251 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -10.678 -3.690 11.486 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.922 -4.007 13.066 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -9.911 -5.264 11.806 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -12.797 -4.748 10.861 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -12.128 -6.373 11.140 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.625 -5.873 11.964 1.00 0.00 H new ATOM 1213 N GLY A 73 -11.722 -7.921 16.530 1.00 0.00 N ATOM 1214 CA GLY A 73 -11.554 -9.185 17.297 1.00 0.00 C ATOM 1215 C GLY A 73 -10.256 -9.952 16.984 1.00 0.00 C ATOM 1216 O GLY A 73 -10.297 -11.004 16.345 1.00 0.00 O ATOM 0 H GLY A 73 -11.111 -7.167 16.844 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -11.578 -8.955 18.362 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -12.404 -9.836 17.092 1.00 0.00 H new ATOM 1220 N TYR A 74 -9.114 -9.430 17.456 1.00 0.00 N ATOM 1221 CA TYR A 74 -7.772 -10.010 17.164 1.00 0.00 C ATOM 1222 C TYR A 74 -6.930 -10.131 18.471 1.00 0.00 C ATOM 1223 O TYR A 74 -6.787 -9.160 19.224 1.00 0.00 O ATOM 1224 CB TYR A 74 -7.037 -9.117 16.124 1.00 0.00 C ATOM 1225 CG TYR A 74 -7.442 -9.348 14.660 1.00 0.00 C ATOM 1226 CD1 TYR A 74 -6.760 -10.296 13.893 1.00 0.00 C ATOM 1227 CD2 TYR A 74 -8.471 -8.599 14.071 1.00 0.00 C ATOM 1228 CE1 TYR A 74 -7.098 -10.501 12.558 1.00 0.00 C ATOM 1229 CE2 TYR A 74 -8.821 -8.822 12.740 1.00 0.00 C ATOM 1230 CZ TYR A 74 -8.137 -9.771 11.987 1.00 0.00 C ATOM 1231 OH TYR A 74 -8.483 -10.006 10.684 1.00 0.00 O ATOM 0 H TYR A 74 -9.082 -8.600 18.048 1.00 0.00 H new ATOM 0 HA TYR A 74 -7.899 -11.011 16.751 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -7.219 -8.072 16.374 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -5.964 -9.285 16.218 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -5.964 -10.874 14.339 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -8.992 -7.850 14.648 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -6.556 -11.224 11.967 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -9.625 -8.257 12.292 1.00 0.00 H new ATOM 0 HH TYR A 74 -9.359 -9.607 10.501 1.00 0.00 H new ATOM 1241 N LYS A 75 -6.331 -11.311 18.715 1.00 0.00 N ATOM 1242 CA LYS A 75 -5.454 -11.537 19.903 1.00 0.00 C ATOM 1243 C LYS A 75 -3.975 -11.027 19.763 1.00 0.00 C ATOM 1244 O LYS A 75 -3.471 -10.385 20.689 1.00 0.00 O ATOM 1245 CB LYS A 75 -5.594 -13.019 20.378 1.00 0.00 C ATOM 1246 CG LYS A 75 -4.715 -14.062 19.647 1.00 0.00 C ATOM 1247 CD LYS A 75 -4.859 -15.514 20.130 1.00 0.00 C ATOM 1248 CE LYS A 75 -3.695 -16.361 19.579 1.00 0.00 C ATOM 1249 NZ LYS A 75 -3.884 -17.787 19.945 1.00 0.00 N ATOM 0 H LYS A 75 -6.431 -12.128 18.113 1.00 0.00 H new ATOM 0 HA LYS A 75 -5.818 -10.888 20.700 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -5.360 -13.060 21.442 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -6.637 -13.315 20.270 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -4.952 -14.028 18.584 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -3.671 -13.766 19.751 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -4.862 -15.547 21.220 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -5.811 -15.926 19.796 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -3.643 -16.260 18.495 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -2.749 -15.997 19.979 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -3.094 -18.350 19.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -3.912 -17.879 20.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -4.778 -18.133 19.542 1.00 0.00 H new ATOM 1263 N ASP A 76 -3.261 -11.344 18.660 1.00 0.00 N ATOM 1264 CA ASP A 76 -1.778 -11.207 18.594 1.00 0.00 C ATOM 1265 C ASP A 76 -1.404 -9.817 17.989 1.00 0.00 C ATOM 1266 O ASP A 76 -1.176 -9.682 16.781 1.00 0.00 O ATOM 1267 CB ASP A 76 -1.174 -12.385 17.776 1.00 0.00 C ATOM 1268 CG ASP A 76 -1.391 -13.810 18.280 1.00 0.00 C ATOM 1269 OD1 ASP A 76 -1.062 -14.103 19.449 1.00 0.00 O ATOM 1270 OD2 ASP A 76 -1.918 -14.649 17.515 1.00 0.00 O ATOM 0 H ASP A 76 -3.682 -11.697 17.801 1.00 0.00 H new ATOM 0 HA ASP A 76 -1.354 -11.255 19.597 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -1.576 -12.326 16.765 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -0.099 -12.220 17.702 1.00 0.00 H new ATOM 1275 N ILE A 77 -1.380 -8.772 18.836 1.00 0.00 N ATOM 1276 CA ILE A 77 -1.283 -7.354 18.370 1.00 0.00 C ATOM 1277 C ILE A 77 0.222 -6.906 18.452 1.00 0.00 C ATOM 1278 O ILE A 77 0.712 -6.474 19.501 1.00 0.00 O ATOM 1279 CB ILE A 77 -2.314 -6.431 19.131 1.00 0.00 C ATOM 1280 CG1 ILE A 77 -3.795 -6.944 19.097 1.00 0.00 C ATOM 1281 CG2 ILE A 77 -2.266 -4.980 18.581 1.00 0.00 C ATOM 1282 CD1 ILE A 77 -4.838 -6.178 19.934 1.00 0.00 C ATOM 0 H ILE A 77 -1.426 -8.871 19.850 1.00 0.00 H new ATOM 0 HA ILE A 77 -1.579 -7.257 17.325 1.00 0.00 H new ATOM 0 HB ILE A 77 -1.997 -6.459 20.173 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -4.128 -6.938 18.059 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -3.798 -7.983 19.427 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -2.984 -4.363 19.120 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -1.264 -4.573 18.716 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -2.516 -4.985 17.520 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -5.815 -6.645 19.813 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.551 -6.204 20.985 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.886 -5.143 19.596 1.00 0.00 H new ATOM 1294 N ASN A 78 0.951 -7.012 17.328 1.00 0.00 N ATOM 1295 CA ASN A 78 2.409 -6.728 17.240 1.00 0.00 C ATOM 1296 C ASN A 78 2.673 -5.214 16.926 1.00 0.00 C ATOM 1297 O ASN A 78 2.642 -4.779 15.770 1.00 0.00 O ATOM 1298 CB ASN A 78 2.958 -7.733 16.184 1.00 0.00 C ATOM 1299 CG ASN A 78 4.465 -7.702 15.900 1.00 0.00 C ATOM 1300 OD1 ASN A 78 5.286 -7.296 16.714 1.00 0.00 O ATOM 1301 ND2 ASN A 78 4.899 -8.158 14.747 1.00 0.00 N ATOM 0 H ASN A 78 0.546 -7.301 16.438 1.00 0.00 H new ATOM 0 HA ASN A 78 2.937 -6.877 18.182 1.00 0.00 H new ATOM 0 HB2 ASN A 78 2.697 -8.740 16.509 1.00 0.00 H new ATOM 0 HB3 ASN A 78 2.434 -7.555 15.245 1.00 0.00 H new ATOM 0 HD21 ASN A 78 5.899 -8.168 14.546 1.00 0.00 H new ATOM 0 HD22 ASN A 78 4.236 -8.502 14.052 1.00 0.00 H new ATOM 1308 N VAL A 79 2.927 -4.425 17.985 1.00 0.00 N ATOM 1309 CA VAL A 79 3.053 -2.938 17.900 1.00 0.00 C ATOM 1310 C VAL A 79 4.559 -2.525 17.759 1.00 0.00 C ATOM 1311 O VAL A 79 5.371 -2.776 18.657 1.00 0.00 O ATOM 1312 CB VAL A 79 2.387 -2.264 19.158 1.00 0.00 C ATOM 1313 CG1 VAL A 79 2.467 -0.716 19.152 1.00 0.00 C ATOM 1314 CG2 VAL A 79 0.896 -2.623 19.378 1.00 0.00 C ATOM 0 H VAL A 79 3.053 -4.789 18.929 1.00 0.00 H new ATOM 0 HA VAL A 79 2.527 -2.586 17.012 1.00 0.00 H new ATOM 0 HB VAL A 79 2.986 -2.680 19.968 1.00 0.00 H new ATOM 0 HG11 VAL A 79 1.988 -0.323 20.049 1.00 0.00 H new ATOM 0 HG12 VAL A 79 3.512 -0.406 19.133 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.958 -0.329 18.269 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.526 -2.112 20.267 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.315 -2.310 18.511 1.00 0.00 H new ATOM 0 HG23 VAL A 79 0.797 -3.700 19.511 1.00 0.00 H new ATOM 1324 N ARG A 80 4.906 -1.799 16.681 1.00 0.00 N ATOM 1325 CA ARG A 80 6.165 -1.008 16.605 1.00 0.00 C ATOM 1326 C ARG A 80 5.822 0.481 16.268 1.00 0.00 C ATOM 1327 O ARG A 80 5.343 0.784 15.171 1.00 0.00 O ATOM 1328 CB ARG A 80 7.119 -1.656 15.560 1.00 0.00 C ATOM 1329 CG ARG A 80 8.509 -0.975 15.459 1.00 0.00 C ATOM 1330 CD ARG A 80 9.396 -1.523 14.323 1.00 0.00 C ATOM 1331 NE ARG A 80 10.638 -0.706 14.194 1.00 0.00 N ATOM 1332 CZ ARG A 80 11.781 -0.898 14.850 1.00 0.00 C ATOM 1333 NH1 ARG A 80 11.999 -1.905 15.657 1.00 0.00 N ATOM 1334 NH2 ARG A 80 12.730 -0.024 14.677 1.00 0.00 N ATOM 0 H ARG A 80 4.332 -1.739 15.840 1.00 0.00 H new ATOM 0 HA ARG A 80 6.683 -1.013 17.564 1.00 0.00 H new ATOM 0 HB2 ARG A 80 7.259 -2.706 15.815 1.00 0.00 H new ATOM 0 HB3 ARG A 80 6.641 -1.627 14.581 1.00 0.00 H new ATOM 0 HG2 ARG A 80 8.368 0.096 15.311 1.00 0.00 H new ATOM 0 HG3 ARG A 80 9.033 -1.099 16.407 1.00 0.00 H new ATOM 0 HD2 ARG A 80 9.656 -2.562 14.525 1.00 0.00 H new ATOM 0 HD3 ARG A 80 8.844 -1.509 13.383 1.00 0.00 H new ATOM 0 HE ARG A 80 10.609 0.076 13.540 1.00 0.00 H new ATOM 0 HH11 ARG A 80 11.269 -2.601 15.813 1.00 0.00 H new ATOM 0 HH12 ARG A 80 12.898 -1.994 16.130 1.00 0.00 H new ATOM 0 HH21 ARG A 80 12.583 0.772 14.057 1.00 0.00 H new ATOM 0 HH22 ARG A 80 13.621 -0.135 15.162 1.00 0.00 H new ATOM 1348 N VAL A 81 6.154 1.419 17.175 1.00 0.00 N ATOM 1349 CA VAL A 81 6.174 2.881 16.849 1.00 0.00 C ATOM 1350 C VAL A 81 7.626 3.233 16.372 1.00 0.00 C ATOM 1351 O VAL A 81 8.540 3.436 17.179 1.00 0.00 O ATOM 1352 CB VAL A 81 5.650 3.757 18.041 1.00 0.00 C ATOM 1353 CG1 VAL A 81 5.654 5.271 17.716 1.00 0.00 C ATOM 1354 CG2 VAL A 81 4.213 3.402 18.498 1.00 0.00 C ATOM 0 H VAL A 81 6.413 1.205 18.138 1.00 0.00 H new ATOM 0 HA VAL A 81 5.480 3.113 16.041 1.00 0.00 H new ATOM 0 HB VAL A 81 6.353 3.531 18.843 1.00 0.00 H new ATOM 0 HG11 VAL A 81 5.282 5.829 18.576 1.00 0.00 H new ATOM 0 HG12 VAL A 81 6.671 5.591 17.488 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.012 5.460 16.855 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.923 4.051 19.325 1.00 0.00 H new ATOM 0 HG22 VAL A 81 3.522 3.543 17.667 1.00 0.00 H new ATOM 0 HG23 VAL A 81 4.181 2.362 18.824 1.00 0.00 H new ATOM 1364 N ASN A 82 7.835 3.276 15.046 1.00 0.00 N ATOM 1365 CA ASN A 82 9.157 3.555 14.423 1.00 0.00 C ATOM 1366 C ASN A 82 9.321 5.092 14.148 1.00 0.00 C ATOM 1367 O ASN A 82 9.202 5.567 13.015 1.00 0.00 O ATOM 1368 CB ASN A 82 9.195 2.626 13.172 1.00 0.00 C ATOM 1369 CG ASN A 82 10.563 2.450 12.510 1.00 0.00 C ATOM 1370 OD1 ASN A 82 11.518 1.996 13.137 1.00 0.00 O ATOM 1371 ND2 ASN A 82 10.704 2.710 11.234 1.00 0.00 N ATOM 0 H ASN A 82 7.093 3.118 14.365 1.00 0.00 H new ATOM 0 HA ASN A 82 10.017 3.334 15.056 1.00 0.00 H new ATOM 0 HB2 ASN A 82 8.825 1.643 13.463 1.00 0.00 H new ATOM 0 HB3 ASN A 82 8.502 3.021 12.429 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.597 2.535 10.774 1.00 0.00 H new ATOM 0 HD22 ASN A 82 9.920 3.087 10.701 1.00 0.00 H new ATOM 1378 N GLY A 83 9.545 5.877 15.222 1.00 0.00 N ATOM 1379 CA GLY A 83 9.460 7.364 15.163 1.00 0.00 C ATOM 1380 C GLY A 83 8.014 7.905 15.109 1.00 0.00 C ATOM 1381 O GLY A 83 7.308 7.904 16.118 1.00 0.00 O ATOM 0 H GLY A 83 9.787 5.513 16.144 1.00 0.00 H new ATOM 0 HA2 GLY A 83 9.962 7.782 16.036 1.00 0.00 H new ATOM 0 HA3 GLY A 83 10.002 7.715 14.285 1.00 0.00 H new ATOM 1385 N THR A 84 7.587 8.336 13.915 1.00 0.00 N ATOM 1386 CA THR A 84 6.145 8.639 13.621 1.00 0.00 C ATOM 1387 C THR A 84 5.390 7.526 12.803 1.00 0.00 C ATOM 1388 O THR A 84 4.156 7.521 12.788 1.00 0.00 O ATOM 1389 CB THR A 84 5.963 10.043 12.966 1.00 0.00 C ATOM 1390 OG1 THR A 84 6.494 10.075 11.645 1.00 0.00 O ATOM 1391 CG2 THR A 84 6.569 11.228 13.732 1.00 0.00 C ATOM 0 H THR A 84 8.209 8.489 13.121 1.00 0.00 H new ATOM 0 HA THR A 84 5.667 8.650 14.600 1.00 0.00 H new ATOM 0 HB THR A 84 4.881 10.173 12.977 1.00 0.00 H new ATOM 0 HG1 THR A 84 5.759 10.067 10.997 1.00 0.00 H new ATOM 0 HG21 THR A 84 6.381 12.151 13.183 1.00 0.00 H new ATOM 0 HG22 THR A 84 6.113 11.294 14.720 1.00 0.00 H new ATOM 0 HG23 THR A 84 7.644 11.081 13.838 1.00 0.00 H new ATOM 1399 N GLU A 85 6.092 6.569 12.159 1.00 0.00 N ATOM 1400 CA GLU A 85 5.482 5.356 11.556 1.00 0.00 C ATOM 1401 C GLU A 85 4.910 4.393 12.650 1.00 0.00 C ATOM 1402 O GLU A 85 5.647 3.794 13.437 1.00 0.00 O ATOM 1403 CB GLU A 85 6.592 4.700 10.690 1.00 0.00 C ATOM 1404 CG GLU A 85 6.243 3.353 9.993 1.00 0.00 C ATOM 1405 CD GLU A 85 7.377 2.336 9.977 1.00 0.00 C ATOM 1406 OE1 GLU A 85 8.489 2.667 9.516 1.00 0.00 O ATOM 1407 OE2 GLU A 85 7.168 1.203 10.460 1.00 0.00 O ATOM 0 H GLU A 85 7.104 6.613 12.040 1.00 0.00 H new ATOM 0 HA GLU A 85 4.621 5.606 10.936 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.886 5.413 9.920 1.00 0.00 H new ATOM 0 HB3 GLU A 85 7.464 4.537 11.324 1.00 0.00 H new ATOM 0 HG2 GLU A 85 5.383 2.911 10.496 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.941 3.558 8.966 1.00 0.00 H new ATOM 1414 N VAL A 86 3.581 4.243 12.680 1.00 0.00 N ATOM 1415 CA VAL A 86 2.892 3.347 13.652 1.00 0.00 C ATOM 1416 C VAL A 86 2.538 2.029 12.887 1.00 0.00 C ATOM 1417 O VAL A 86 1.550 1.949 12.148 1.00 0.00 O ATOM 1418 CB VAL A 86 1.707 4.115 14.326 1.00 0.00 C ATOM 1419 CG1 VAL A 86 0.792 3.230 15.192 1.00 0.00 C ATOM 1420 CG2 VAL A 86 2.153 5.308 15.202 1.00 0.00 C ATOM 0 H VAL A 86 2.947 4.728 12.044 1.00 0.00 H new ATOM 0 HA VAL A 86 3.513 3.050 14.497 1.00 0.00 H new ATOM 0 HB VAL A 86 1.149 4.478 13.463 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -0.003 3.840 15.622 1.00 0.00 H new ATOM 0 HG12 VAL A 86 0.354 2.446 14.575 1.00 0.00 H new ATOM 0 HG13 VAL A 86 1.376 2.777 15.993 1.00 0.00 H new ATOM 0 HG21 VAL A 86 1.276 5.790 15.635 1.00 0.00 H new ATOM 0 HG22 VAL A 86 2.802 4.950 16.001 1.00 0.00 H new ATOM 0 HG23 VAL A 86 2.696 6.027 14.589 1.00 0.00 H new ATOM 1430 N LYS A 87 3.386 1.005 13.076 1.00 0.00 N ATOM 1431 CA LYS A 87 3.222 -0.339 12.469 1.00 0.00 C ATOM 1432 C LYS A 87 2.534 -1.275 13.504 1.00 0.00 C ATOM 1433 O LYS A 87 3.179 -1.780 14.430 1.00 0.00 O ATOM 1434 CB LYS A 87 4.642 -0.779 12.007 1.00 0.00 C ATOM 1435 CG LYS A 87 4.768 -2.095 11.198 1.00 0.00 C ATOM 1436 CD LYS A 87 4.879 -3.386 12.047 1.00 0.00 C ATOM 1437 CE LYS A 87 5.105 -4.635 11.175 1.00 0.00 C ATOM 1438 NZ LYS A 87 5.169 -5.860 12.015 1.00 0.00 N ATOM 0 H LYS A 87 4.218 1.082 13.661 1.00 0.00 H new ATOM 0 HA LYS A 87 2.570 -0.363 11.596 1.00 0.00 H new ATOM 0 HB2 LYS A 87 5.061 0.026 11.403 1.00 0.00 H new ATOM 0 HB3 LYS A 87 5.268 -0.871 12.894 1.00 0.00 H new ATOM 0 HG2 LYS A 87 3.901 -2.184 10.543 1.00 0.00 H new ATOM 0 HG3 LYS A 87 5.646 -2.025 10.556 1.00 0.00 H new ATOM 0 HD2 LYS A 87 5.702 -3.285 12.754 1.00 0.00 H new ATOM 0 HD3 LYS A 87 3.969 -3.513 12.633 1.00 0.00 H new ATOM 0 HE2 LYS A 87 4.297 -4.728 10.449 1.00 0.00 H new ATOM 0 HE3 LYS A 87 6.031 -4.527 10.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 4.932 -6.691 11.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 6.130 -5.968 12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 4.490 -5.779 12.799 1.00 0.00 H new ATOM 1452 N ILE A 88 1.219 -1.496 13.352 1.00 0.00 N ATOM 1453 CA ILE A 88 0.440 -2.409 14.241 1.00 0.00 C ATOM 1454 C ILE A 88 0.012 -3.628 13.365 1.00 0.00 C ATOM 1455 O ILE A 88 -0.893 -3.541 12.529 1.00 0.00 O ATOM 1456 CB ILE A 88 -0.750 -1.677 14.952 1.00 0.00 C ATOM 1457 CG1 ILE A 88 -0.310 -0.448 15.803 1.00 0.00 C ATOM 1458 CG2 ILE A 88 -1.530 -2.649 15.875 1.00 0.00 C ATOM 1459 CD1 ILE A 88 -1.427 0.576 16.046 1.00 0.00 C ATOM 0 H ILE A 88 0.659 -1.058 12.621 1.00 0.00 H new ATOM 0 HA ILE A 88 1.047 -2.762 15.075 1.00 0.00 H new ATOM 0 HB ILE A 88 -1.384 -1.318 14.142 1.00 0.00 H new ATOM 0 HG12 ILE A 88 0.062 -0.800 16.765 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.521 0.049 15.302 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -2.350 -2.115 16.356 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -1.930 -3.471 15.282 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.859 -3.045 16.637 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.041 1.400 16.645 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -1.784 0.959 15.090 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -2.251 0.097 16.576 1.00 0.00 H new ATOM 1471 N GLU A 89 0.678 -4.769 13.573 1.00 0.00 N ATOM 1472 CA GLU A 89 0.392 -6.026 12.839 1.00 0.00 C ATOM 1473 C GLU A 89 -0.462 -6.987 13.714 1.00 0.00 C ATOM 1474 O GLU A 89 -0.022 -7.434 14.775 1.00 0.00 O ATOM 1475 CB GLU A 89 1.773 -6.583 12.429 1.00 0.00 C ATOM 1476 CG GLU A 89 1.798 -7.965 11.732 1.00 0.00 C ATOM 1477 CD GLU A 89 3.214 -8.487 11.618 1.00 0.00 C ATOM 1478 OE1 GLU A 89 4.002 -7.915 10.831 1.00 0.00 O ATOM 1479 OE2 GLU A 89 3.581 -9.399 12.388 1.00 0.00 O ATOM 0 H GLU A 89 1.433 -4.857 14.254 1.00 0.00 H new ATOM 0 HA GLU A 89 -0.215 -5.878 11.946 1.00 0.00 H new ATOM 0 HB2 GLU A 89 2.245 -5.860 11.764 1.00 0.00 H new ATOM 0 HB3 GLU A 89 2.392 -6.644 13.324 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.190 -8.672 12.296 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.355 -7.884 10.739 1.00 0.00 H new ATOM 1486 N VAL A 90 -1.675 -7.329 13.260 1.00 0.00 N ATOM 1487 CA VAL A 90 -2.561 -8.281 13.989 1.00 0.00 C ATOM 1488 C VAL A 90 -2.533 -9.700 13.359 1.00 0.00 C ATOM 1489 O VAL A 90 -2.699 -9.887 12.147 1.00 0.00 O ATOM 1490 CB VAL A 90 -4.014 -7.769 14.203 1.00 0.00 C ATOM 1491 CG1 VAL A 90 -4.054 -6.546 15.125 1.00 0.00 C ATOM 1492 CG2 VAL A 90 -4.838 -7.493 12.930 1.00 0.00 C ATOM 0 H VAL A 90 -2.076 -6.968 12.394 1.00 0.00 H new ATOM 0 HA VAL A 90 -2.135 -8.352 14.990 1.00 0.00 H new ATOM 0 HB VAL A 90 -4.504 -8.619 14.678 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -5.086 -6.218 15.250 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -3.637 -6.809 16.097 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -3.468 -5.739 14.685 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -5.831 -7.142 13.209 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -4.338 -6.731 12.331 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.928 -8.411 12.349 1.00 0.00 H new ATOM 1502 N ARG A 91 -2.353 -10.704 14.224 1.00 0.00 N ATOM 1503 CA ARG A 91 -2.381 -12.135 13.834 1.00 0.00 C ATOM 1504 C ARG A 91 -3.468 -12.907 14.657 1.00 0.00 C ATOM 1505 O ARG A 91 -3.882 -12.510 15.755 1.00 0.00 O ATOM 1506 CB ARG A 91 -0.914 -12.656 13.933 1.00 0.00 C ATOM 1507 CG ARG A 91 -0.014 -12.200 12.745 1.00 0.00 C ATOM 1508 CD ARG A 91 1.415 -11.733 13.077 1.00 0.00 C ATOM 1509 NE ARG A 91 2.281 -12.885 13.433 1.00 0.00 N ATOM 1510 CZ ARG A 91 3.612 -12.897 13.377 1.00 0.00 C ATOM 1511 NH1 ARG A 91 4.357 -11.873 13.030 1.00 0.00 N ATOM 1512 NH2 ARG A 91 4.215 -14.008 13.688 1.00 0.00 N ATOM 0 H ARG A 91 -2.183 -10.556 15.219 1.00 0.00 H new ATOM 0 HA ARG A 91 -2.702 -12.302 12.806 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -0.474 -12.307 14.867 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.925 -13.745 13.974 1.00 0.00 H new ATOM 0 HG2 ARG A 91 0.058 -13.028 12.040 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -0.523 -11.386 12.230 1.00 0.00 H new ATOM 0 HD2 ARG A 91 1.838 -11.206 12.221 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.387 -11.025 13.905 1.00 0.00 H new ATOM 0 HE ARG A 91 1.818 -13.738 13.747 1.00 0.00 H new ATOM 0 HH11 ARG A 91 3.920 -10.986 12.778 1.00 0.00 H new ATOM 0 HH12 ARG A 91 5.373 -11.964 13.012 1.00 0.00 H new ATOM 0 HH21 ARG A 91 3.669 -14.825 13.961 1.00 0.00 H new ATOM 0 HH22 ARG A 91 5.233 -14.061 13.659 1.00 0.00 H new ATOM 1526 N VAL A 92 -3.987 -14.006 14.079 1.00 0.00 N ATOM 1527 CA VAL A 92 -5.141 -14.756 14.661 1.00 0.00 C ATOM 1528 C VAL A 92 -4.558 -15.883 15.542 1.00 0.00 C ATOM 1529 O VAL A 92 -5.164 -16.296 16.534 1.00 0.00 O ATOM 1530 CB VAL A 92 -6.114 -15.260 13.538 1.00 0.00 C ATOM 1531 CG1 VAL A 92 -7.342 -16.028 14.085 1.00 0.00 C ATOM 1532 CG2 VAL A 92 -6.683 -14.123 12.654 1.00 0.00 C ATOM 0 H VAL A 92 -3.633 -14.403 13.209 1.00 0.00 H new ATOM 0 HA VAL A 92 -5.761 -14.114 15.287 1.00 0.00 H new ATOM 0 HB VAL A 92 -5.476 -15.920 12.950 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -7.971 -16.347 13.254 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -7.006 -16.902 14.642 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -7.915 -15.376 14.744 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -7.347 -14.546 11.900 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -7.240 -13.422 13.276 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -5.863 -13.599 12.163 1.00 0.00 H new