USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 658 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 17 HIS : no HE2:sc= -17.2! C(o=-18!,f=-17!) USER MOD Set 1.2: A 30 TYR OH : rot 150:sc= -1.23 USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -0.0881 K(o=-0.088,f=-0.89) USER MOD Single : A 9 GLN : amide:sc= -0.748 K(o=-0.75,f=0) USER MOD Single : A 12 SER OG : rot 55:sc= 1.22 USER MOD Single : A 14 SER OG : rot 30:sc= 0.0763 USER MOD Single : A 18 GLN : amide:sc= -0.848 K(o=-0.85,f=-2.3!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ -139:sc= -0.331 (180deg=-1.91!) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= -3.46! C(o=-3.5!,f=-5.2!) USER MOD Single : A 40 CYS SG : rot 60:sc= -1.15! USER MOD Single : A 42 THR OG1 : rot -131:sc= 1.95 USER MOD Single : A 47 TYR OH : rot -41:sc= -7.51! USER MOD Single : A 55 GLN : amide:sc= -6.13! C(o=-6.1!,f=-9!) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 59 SER OG : rot -147:sc= 0.0594 USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 SER OG : rot 170:sc= -1.29! USER MOD Single : A 72 GLN : amide:sc= -8.07! C(o=-8.1!,f=-4.7!) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 CYS SG : rot -126:sc= -1.33 USER MOD Single : A 85 THR OG1 : rot 71:sc= 0.167 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 25 N LYS A 2 -5.341 3.456 9.408 1.00 0.00 N ATOM 26 CA LYS A 2 -4.084 4.122 8.986 1.00 0.00 C ATOM 27 C LYS A 2 -3.100 3.074 8.453 1.00 0.00 C ATOM 28 O LYS A 2 -3.075 1.944 8.899 1.00 0.00 O ATOM 29 CB LYS A 2 -3.499 4.876 10.193 1.00 0.00 C ATOM 30 CG LYS A 2 -2.237 4.186 10.728 1.00 0.00 C ATOM 31 CD LYS A 2 -1.639 5.022 11.861 1.00 0.00 C ATOM 32 CE LYS A 2 -1.011 6.292 11.284 1.00 0.00 C ATOM 33 NZ LYS A 2 -0.697 7.238 12.391 1.00 0.00 N ATOM 0 HA LYS A 2 -4.278 4.835 8.185 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -3.261 5.899 9.904 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -4.246 4.934 10.984 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -2.481 3.187 11.089 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -1.508 4.066 9.927 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -2.413 5.282 12.582 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -0.887 4.443 12.396 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -0.103 6.044 10.735 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -1.695 6.759 10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -0.270 8.102 11.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -1.572 7.483 12.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -0.029 6.791 13.051 1.00 0.00 H new ATOM 47 N ALA A 3 -2.288 3.448 7.506 1.00 0.00 N ATOM 48 CA ALA A 3 -1.299 2.482 6.946 1.00 0.00 C ATOM 49 C ALA A 3 0.066 3.158 6.815 1.00 0.00 C ATOM 50 O ALA A 3 0.218 4.147 6.131 1.00 0.00 O ATOM 51 CB ALA A 3 -1.770 2.005 5.570 1.00 0.00 C ATOM 0 H ALA A 3 -2.265 4.381 7.094 1.00 0.00 H new ATOM 0 HA ALA A 3 -1.213 1.626 7.616 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.046 1.299 5.162 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.739 1.516 5.667 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -1.860 2.860 4.900 1.00 0.00 H new ATOM 57 N VAL A 4 1.061 2.632 7.475 1.00 0.00 N ATOM 58 CA VAL A 4 2.416 3.247 7.401 1.00 0.00 C ATOM 59 C VAL A 4 3.358 2.350 6.599 1.00 0.00 C ATOM 60 O VAL A 4 3.631 1.228 6.978 1.00 0.00 O ATOM 61 CB VAL A 4 2.964 3.407 8.817 1.00 0.00 C ATOM 62 CG1 VAL A 4 4.246 4.245 8.783 1.00 0.00 C ATOM 63 CG2 VAL A 4 1.911 4.101 9.683 1.00 0.00 C ATOM 0 H VAL A 4 0.994 1.801 8.063 1.00 0.00 H new ATOM 0 HA VAL A 4 2.345 4.218 6.910 1.00 0.00 H new ATOM 0 HB VAL A 4 3.194 2.428 9.236 1.00 0.00 H new ATOM 0 HG11 VAL A 4 4.634 4.357 9.795 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.990 3.746 8.162 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.027 5.229 8.367 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.294 4.219 10.697 1.00 0.00 H new ATOM 0 HG22 VAL A 4 1.684 5.081 9.264 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.004 3.497 9.706 1.00 0.00 H new ATOM 73 N ILE A 5 3.870 2.835 5.501 1.00 0.00 N ATOM 74 CA ILE A 5 4.804 2.002 4.696 1.00 0.00 C ATOM 75 C ILE A 5 6.242 2.358 5.061 1.00 0.00 C ATOM 76 O ILE A 5 6.814 3.297 4.543 1.00 0.00 O ATOM 77 CB ILE A 5 4.582 2.252 3.209 1.00 0.00 C ATOM 78 CG1 ILE A 5 3.075 2.118 2.906 1.00 0.00 C ATOM 79 CG2 ILE A 5 5.409 1.232 2.416 1.00 0.00 C ATOM 80 CD1 ILE A 5 2.829 1.240 1.671 1.00 0.00 C ATOM 0 H ILE A 5 3.683 3.766 5.129 1.00 0.00 H new ATOM 0 HA ILE A 5 4.618 0.950 4.911 1.00 0.00 H new ATOM 0 HB ILE A 5 4.901 3.254 2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.566 1.687 3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.646 3.107 2.743 1.00 0.00 H new ATOM 0 HG21 ILE A 5 5.262 1.396 1.348 1.00 0.00 H new ATOM 0 HG22 ILE A 5 6.465 1.351 2.660 1.00 0.00 H new ATOM 0 HG23 ILE A 5 5.088 0.223 2.676 1.00 0.00 H new ATOM 0 HD11 ILE A 5 1.758 1.166 1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 5 3.318 1.686 0.805 1.00 0.00 H new ATOM 0 HD13 ILE A 5 3.237 0.244 1.845 1.00 0.00 H new ATOM 92 N ASN A 6 6.830 1.614 5.951 1.00 0.00 N ATOM 93 CA ASN A 6 8.226 1.897 6.358 1.00 0.00 C ATOM 94 C ASN A 6 9.183 1.115 5.454 1.00 0.00 C ATOM 95 O ASN A 6 9.486 -0.034 5.701 1.00 0.00 O ATOM 96 CB ASN A 6 8.406 1.463 7.810 1.00 0.00 C ATOM 97 CG ASN A 6 7.573 2.368 8.719 1.00 0.00 C ATOM 98 OD1 ASN A 6 6.478 2.015 9.110 1.00 0.00 O ATOM 99 ND2 ASN A 6 8.048 3.531 9.075 1.00 0.00 N ATOM 0 H ASN A 6 6.398 0.816 6.416 1.00 0.00 H new ATOM 0 HA ASN A 6 8.441 2.961 6.265 1.00 0.00 H new ATOM 0 HB2 ASN A 6 8.098 0.425 7.931 1.00 0.00 H new ATOM 0 HB3 ASN A 6 9.458 1.518 8.090 1.00 0.00 H new ATOM 0 HD21 ASN A 6 7.500 4.142 9.681 1.00 0.00 H new ATOM 0 HD22 ASN A 6 8.967 3.828 8.747 1.00 0.00 H new ATOM 106 N GLY A 7 9.651 1.730 4.401 1.00 0.00 N ATOM 107 CA GLY A 7 10.580 1.024 3.472 1.00 0.00 C ATOM 108 C GLY A 7 11.822 0.556 4.232 1.00 0.00 C ATOM 109 O GLY A 7 12.295 -0.548 4.044 1.00 0.00 O ATOM 0 H GLY A 7 9.430 2.692 4.144 1.00 0.00 H new ATOM 0 HA2 GLY A 7 10.076 0.169 3.020 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.870 1.689 2.659 1.00 0.00 H new ATOM 113 N GLU A 8 12.358 1.386 5.085 1.00 0.00 N ATOM 114 CA GLU A 8 13.572 0.987 5.853 1.00 0.00 C ATOM 115 C GLU A 8 13.416 -0.453 6.347 1.00 0.00 C ATOM 116 O GLU A 8 14.384 -1.164 6.530 1.00 0.00 O ATOM 117 CB GLU A 8 13.746 1.920 7.052 1.00 0.00 C ATOM 118 CG GLU A 8 14.549 3.152 6.630 1.00 0.00 C ATOM 119 CD GLU A 8 14.081 4.367 7.432 1.00 0.00 C ATOM 120 OE1 GLU A 8 14.189 4.328 8.647 1.00 0.00 O ATOM 121 OE2 GLU A 8 13.621 5.316 6.818 1.00 0.00 O ATOM 0 H GLU A 8 12.008 2.323 5.283 1.00 0.00 H new ATOM 0 HA GLU A 8 14.447 1.056 5.207 1.00 0.00 H new ATOM 0 HB2 GLU A 8 12.771 2.222 7.435 1.00 0.00 H new ATOM 0 HB3 GLU A 8 14.259 1.398 7.860 1.00 0.00 H new ATOM 0 HG2 GLU A 8 15.612 2.981 6.797 1.00 0.00 H new ATOM 0 HG3 GLU A 8 14.420 3.335 5.563 1.00 0.00 H new ATOM 128 N GLN A 9 12.206 -0.885 6.570 1.00 0.00 N ATOM 129 CA GLN A 9 11.988 -2.274 7.058 1.00 0.00 C ATOM 130 C GLN A 9 11.706 -3.204 5.876 1.00 0.00 C ATOM 131 O GLN A 9 12.218 -4.303 5.803 1.00 0.00 O ATOM 132 CB GLN A 9 10.796 -2.288 8.014 1.00 0.00 C ATOM 133 CG GLN A 9 11.099 -1.392 9.216 1.00 0.00 C ATOM 134 CD GLN A 9 9.829 -1.201 10.046 1.00 0.00 C ATOM 135 OE1 GLN A 9 9.712 -0.246 10.788 1.00 0.00 O ATOM 136 NE2 GLN A 9 8.865 -2.077 9.953 1.00 0.00 N ATOM 0 H GLN A 9 11.358 -0.335 6.435 1.00 0.00 H new ATOM 0 HA GLN A 9 12.882 -2.620 7.577 1.00 0.00 H new ATOM 0 HB2 GLN A 9 9.900 -1.937 7.501 1.00 0.00 H new ATOM 0 HB3 GLN A 9 10.595 -3.306 8.347 1.00 0.00 H new ATOM 0 HG2 GLN A 9 11.882 -1.840 9.828 1.00 0.00 H new ATOM 0 HG3 GLN A 9 11.473 -0.426 8.877 1.00 0.00 H new ATOM 0 HE21 GLN A 9 8.963 -2.879 9.330 1.00 0.00 H new ATOM 0 HE22 GLN A 9 8.014 -1.959 10.503 1.00 0.00 H new ATOM 145 N ILE A 10 10.888 -2.778 4.955 1.00 0.00 N ATOM 146 CA ILE A 10 10.563 -3.635 3.789 1.00 0.00 C ATOM 147 C ILE A 10 11.827 -4.248 3.196 1.00 0.00 C ATOM 148 O ILE A 10 12.870 -3.629 3.126 1.00 0.00 O ATOM 149 CB ILE A 10 9.866 -2.784 2.739 1.00 0.00 C ATOM 150 CG1 ILE A 10 8.440 -2.521 3.193 1.00 0.00 C ATOM 151 CG2 ILE A 10 9.841 -3.512 1.391 1.00 0.00 C ATOM 152 CD1 ILE A 10 7.785 -1.603 2.184 1.00 0.00 C ATOM 0 H ILE A 10 10.429 -1.867 4.963 1.00 0.00 H new ATOM 0 HA ILE A 10 9.912 -4.447 4.113 1.00 0.00 H new ATOM 0 HB ILE A 10 10.407 -1.845 2.620 1.00 0.00 H new ATOM 0 HG12 ILE A 10 7.887 -3.457 3.271 1.00 0.00 H new ATOM 0 HG13 ILE A 10 8.434 -2.064 4.183 1.00 0.00 H new ATOM 0 HG21 ILE A 10 9.339 -2.889 0.651 1.00 0.00 H new ATOM 0 HG22 ILE A 10 10.862 -3.710 1.066 1.00 0.00 H new ATOM 0 HG23 ILE A 10 9.304 -4.455 1.497 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.759 -1.400 2.489 1.00 0.00 H new ATOM 0 HD12 ILE A 10 8.340 -0.666 2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.784 -2.081 1.204 1.00 0.00 H new ATOM 164 N ARG A 11 11.718 -5.465 2.756 1.00 0.00 N ATOM 165 CA ARG A 11 12.872 -6.160 2.143 1.00 0.00 C ATOM 166 C ARG A 11 12.509 -6.524 0.701 1.00 0.00 C ATOM 167 O ARG A 11 13.349 -6.913 -0.086 1.00 0.00 O ATOM 168 CB ARG A 11 13.155 -7.432 2.936 1.00 0.00 C ATOM 169 CG ARG A 11 13.924 -7.078 4.209 1.00 0.00 C ATOM 170 CD ARG A 11 15.425 -7.238 3.963 1.00 0.00 C ATOM 171 NE ARG A 11 15.864 -8.582 4.435 1.00 0.00 N ATOM 172 CZ ARG A 11 17.021 -9.057 4.066 1.00 0.00 C ATOM 173 NH1 ARG A 11 17.956 -8.247 3.650 1.00 0.00 N ATOM 174 NH2 ARG A 11 17.244 -10.342 4.114 1.00 0.00 N ATOM 0 H ARG A 11 10.861 -6.016 2.797 1.00 0.00 H new ATOM 0 HA ARG A 11 13.755 -5.521 2.151 1.00 0.00 H new ATOM 0 HB2 ARG A 11 12.220 -7.931 3.190 1.00 0.00 H new ATOM 0 HB3 ARG A 11 13.734 -8.130 2.331 1.00 0.00 H new ATOM 0 HG2 ARG A 11 13.701 -6.054 4.507 1.00 0.00 H new ATOM 0 HG3 ARG A 11 13.609 -7.724 5.028 1.00 0.00 H new ATOM 0 HD2 ARG A 11 15.645 -7.124 2.902 1.00 0.00 H new ATOM 0 HD3 ARG A 11 15.976 -6.458 4.489 1.00 0.00 H new ATOM 0 HE ARG A 11 15.259 -9.130 5.047 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.782 -7.243 3.614 1.00 0.00 H new ATOM 0 HH12 ARG A 11 18.861 -8.618 3.361 1.00 0.00 H new ATOM 0 HH21 ARG A 11 16.513 -10.975 4.440 1.00 0.00 H new ATOM 0 HH22 ARG A 11 18.149 -10.714 3.825 1.00 0.00 H new ATOM 188 N SER A 12 11.254 -6.396 0.354 1.00 0.00 N ATOM 189 CA SER A 12 10.815 -6.729 -1.029 1.00 0.00 C ATOM 190 C SER A 12 9.334 -6.364 -1.192 1.00 0.00 C ATOM 191 O SER A 12 8.667 -5.964 -0.248 1.00 0.00 O ATOM 192 CB SER A 12 11.001 -8.226 -1.277 1.00 0.00 C ATOM 193 OG SER A 12 12.321 -8.463 -1.748 1.00 0.00 O ATOM 0 H SER A 12 10.512 -6.073 0.975 1.00 0.00 H new ATOM 0 HA SER A 12 11.412 -6.166 -1.747 1.00 0.00 H new ATOM 0 HB2 SER A 12 10.825 -8.783 -0.357 1.00 0.00 H new ATOM 0 HB3 SER A 12 10.273 -8.579 -2.008 1.00 0.00 H new ATOM 0 HG SER A 12 12.967 -8.090 -1.112 1.00 0.00 H new ATOM 199 N ILE A 13 8.808 -6.494 -2.379 1.00 0.00 N ATOM 200 CA ILE A 13 7.377 -6.151 -2.584 1.00 0.00 C ATOM 201 C ILE A 13 6.535 -6.916 -1.566 1.00 0.00 C ATOM 202 O ILE A 13 5.696 -6.351 -0.901 1.00 0.00 O ATOM 203 CB ILE A 13 6.944 -6.523 -4.008 1.00 0.00 C ATOM 204 CG1 ILE A 13 5.615 -5.834 -4.349 1.00 0.00 C ATOM 205 CG2 ILE A 13 6.766 -8.039 -4.114 1.00 0.00 C ATOM 206 CD1 ILE A 13 5.629 -4.378 -3.866 1.00 0.00 C ATOM 0 H ILE A 13 9.304 -6.820 -3.208 1.00 0.00 H new ATOM 0 HA ILE A 13 7.235 -5.079 -2.448 1.00 0.00 H new ATOM 0 HB ILE A 13 7.713 -6.194 -4.707 1.00 0.00 H new ATOM 0 HG12 ILE A 13 5.447 -5.865 -5.426 1.00 0.00 H new ATOM 0 HG13 ILE A 13 4.789 -6.371 -3.882 1.00 0.00 H new ATOM 0 HG21 ILE A 13 6.458 -8.299 -5.127 1.00 0.00 H new ATOM 0 HG22 ILE A 13 7.710 -8.533 -3.883 1.00 0.00 H new ATOM 0 HG23 ILE A 13 6.003 -8.366 -3.408 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.680 -3.903 -4.115 1.00 0.00 H new ATOM 0 HD12 ILE A 13 5.774 -4.354 -2.786 1.00 0.00 H new ATOM 0 HD13 ILE A 13 6.443 -3.841 -4.353 1.00 0.00 H new ATOM 218 N SER A 14 6.760 -8.195 -1.426 1.00 0.00 N ATOM 219 CA SER A 14 5.972 -8.975 -0.434 1.00 0.00 C ATOM 220 C SER A 14 5.938 -8.189 0.875 1.00 0.00 C ATOM 221 O SER A 14 4.907 -8.039 1.498 1.00 0.00 O ATOM 222 CB SER A 14 6.638 -10.331 -0.203 1.00 0.00 C ATOM 223 OG SER A 14 5.811 -11.124 0.639 1.00 0.00 O ATOM 0 H SER A 14 7.451 -8.729 -1.953 1.00 0.00 H new ATOM 0 HA SER A 14 4.959 -9.138 -0.801 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.799 -10.837 -1.155 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.618 -10.194 0.255 1.00 0.00 H new ATOM 0 HG SER A 14 4.872 -10.881 0.498 1.00 0.00 H new ATOM 229 N ASP A 15 7.064 -7.674 1.284 1.00 0.00 N ATOM 230 CA ASP A 15 7.115 -6.881 2.536 1.00 0.00 C ATOM 231 C ASP A 15 6.181 -5.684 2.409 1.00 0.00 C ATOM 232 O ASP A 15 5.442 -5.359 3.315 1.00 0.00 O ATOM 233 CB ASP A 15 8.535 -6.373 2.758 1.00 0.00 C ATOM 234 CG ASP A 15 9.064 -6.889 4.097 1.00 0.00 C ATOM 235 OD1 ASP A 15 9.445 -8.047 4.155 1.00 0.00 O ATOM 236 OD2 ASP A 15 9.078 -6.118 5.042 1.00 0.00 O ATOM 0 H ASP A 15 7.956 -7.771 0.798 1.00 0.00 H new ATOM 0 HA ASP A 15 6.810 -7.507 3.374 1.00 0.00 H new ATOM 0 HB2 ASP A 15 9.182 -6.708 1.947 1.00 0.00 H new ATOM 0 HB3 ASP A 15 8.548 -5.283 2.747 1.00 0.00 H new ATOM 241 N LEU A 16 6.208 -5.026 1.284 1.00 0.00 N ATOM 242 CA LEU A 16 5.316 -3.849 1.094 1.00 0.00 C ATOM 243 C LEU A 16 3.882 -4.280 1.385 1.00 0.00 C ATOM 244 O LEU A 16 3.192 -3.708 2.208 1.00 0.00 O ATOM 245 CB LEU A 16 5.419 -3.368 -0.353 1.00 0.00 C ATOM 246 CG LEU A 16 4.715 -2.019 -0.498 1.00 0.00 C ATOM 247 CD1 LEU A 16 5.337 -1.012 0.471 1.00 0.00 C ATOM 248 CD2 LEU A 16 4.879 -1.511 -1.933 1.00 0.00 C ATOM 0 H LEU A 16 6.807 -5.251 0.490 1.00 0.00 H new ATOM 0 HA LEU A 16 5.608 -3.040 1.764 1.00 0.00 H new ATOM 0 HB2 LEU A 16 6.466 -3.276 -0.642 1.00 0.00 H new ATOM 0 HB3 LEU A 16 4.966 -4.099 -1.023 1.00 0.00 H new ATOM 0 HG LEU A 16 3.655 -2.136 -0.271 1.00 0.00 H new ATOM 0 HD11 LEU A 16 4.835 -0.050 0.368 1.00 0.00 H new ATOM 0 HD12 LEU A 16 5.223 -1.373 1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 16 6.397 -0.895 0.243 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.377 -0.549 -2.038 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.939 -1.394 -2.159 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.438 -2.228 -2.625 1.00 0.00 H new ATOM 260 N HIS A 17 3.444 -5.302 0.714 1.00 0.00 N ATOM 261 CA HIS A 17 2.074 -5.820 0.922 1.00 0.00 C ATOM 262 C HIS A 17 1.957 -6.353 2.351 1.00 0.00 C ATOM 263 O HIS A 17 0.882 -6.473 2.897 1.00 0.00 O ATOM 264 CB HIS A 17 1.837 -6.943 -0.084 1.00 0.00 C ATOM 265 CG HIS A 17 2.018 -6.400 -1.474 1.00 0.00 C ATOM 266 ND1 HIS A 17 1.104 -5.533 -2.053 1.00 0.00 N ATOM 267 CD2 HIS A 17 3.006 -6.583 -2.408 1.00 0.00 C ATOM 268 CE1 HIS A 17 1.557 -5.229 -3.283 1.00 0.00 C ATOM 269 NE2 HIS A 17 2.712 -5.842 -3.550 1.00 0.00 N ATOM 0 H HIS A 17 3.990 -5.808 0.017 1.00 0.00 H new ATOM 0 HA HIS A 17 1.332 -5.035 0.778 1.00 0.00 H new ATOM 0 HB2 HIS A 17 2.534 -7.762 0.094 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.832 -7.349 0.034 1.00 0.00 H new ATOM 0 HD1 HIS A 17 0.245 -5.188 -1.625 1.00 0.00 H new ATOM 0 HD2 HIS A 17 3.878 -7.206 -2.278 1.00 0.00 H new ATOM 0 HE1 HIS A 17 1.048 -4.569 -3.970 1.00 0.00 H new ATOM 277 N GLN A 18 3.061 -6.665 2.967 1.00 0.00 N ATOM 278 CA GLN A 18 3.011 -7.174 4.356 1.00 0.00 C ATOM 279 C GLN A 18 2.542 -6.050 5.277 1.00 0.00 C ATOM 280 O GLN A 18 1.588 -6.192 6.018 1.00 0.00 O ATOM 281 CB GLN A 18 4.404 -7.638 4.783 1.00 0.00 C ATOM 282 CG GLN A 18 4.291 -8.964 5.538 1.00 0.00 C ATOM 283 CD GLN A 18 5.304 -8.988 6.683 1.00 0.00 C ATOM 284 OE1 GLN A 18 5.164 -8.263 7.649 1.00 0.00 O ATOM 285 NE2 GLN A 18 6.326 -9.796 6.617 1.00 0.00 N ATOM 0 H GLN A 18 3.995 -6.588 2.565 1.00 0.00 H new ATOM 0 HA GLN A 18 2.320 -8.015 4.417 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.043 -7.759 3.908 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.871 -6.885 5.417 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.281 -9.087 5.929 1.00 0.00 H new ATOM 0 HG3 GLN A 18 4.473 -9.797 4.860 1.00 0.00 H new ATOM 0 HE21 GLN A 18 6.444 -10.404 5.807 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.007 -9.819 7.376 1.00 0.00 H new ATOM 294 N THR A 19 3.207 -4.928 5.234 1.00 0.00 N ATOM 295 CA THR A 19 2.806 -3.796 6.099 1.00 0.00 C ATOM 296 C THR A 19 1.408 -3.331 5.675 1.00 0.00 C ATOM 297 O THR A 19 0.576 -3.015 6.496 1.00 0.00 O ATOM 298 CB THR A 19 3.846 -2.659 5.974 1.00 0.00 C ATOM 299 OG1 THR A 19 4.441 -2.438 7.244 1.00 0.00 O ATOM 300 CG2 THR A 19 3.194 -1.351 5.508 1.00 0.00 C ATOM 0 H THR A 19 4.012 -4.751 4.633 1.00 0.00 H new ATOM 0 HA THR A 19 2.771 -4.100 7.145 1.00 0.00 H new ATOM 0 HB THR A 19 4.591 -2.959 5.237 1.00 0.00 H new ATOM 0 HG1 THR A 19 5.104 -1.719 7.174 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.954 -0.573 5.431 1.00 0.00 H new ATOM 0 HG22 THR A 19 2.730 -1.503 4.534 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.435 -1.046 6.228 1.00 0.00 H new ATOM 308 N LEU A 20 1.146 -3.296 4.398 1.00 0.00 N ATOM 309 CA LEU A 20 -0.188 -2.867 3.926 1.00 0.00 C ATOM 310 C LEU A 20 -1.236 -3.830 4.477 1.00 0.00 C ATOM 311 O LEU A 20 -2.342 -3.461 4.787 1.00 0.00 O ATOM 312 CB LEU A 20 -0.206 -2.918 2.402 1.00 0.00 C ATOM 313 CG LEU A 20 0.669 -1.796 1.838 1.00 0.00 C ATOM 314 CD1 LEU A 20 0.694 -1.888 0.313 1.00 0.00 C ATOM 315 CD2 LEU A 20 0.100 -0.439 2.261 1.00 0.00 C ATOM 0 H LEU A 20 1.806 -3.548 3.662 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.404 -1.854 4.265 1.00 0.00 H new ATOM 0 HB2 LEU A 20 0.159 -3.885 2.057 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.228 -2.814 2.037 1.00 0.00 H new ATOM 0 HG LEU A 20 1.683 -1.898 2.224 1.00 0.00 H new ATOM 0 HD11 LEU A 20 1.317 -1.089 -0.090 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.103 -2.853 0.013 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.320 -1.787 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.724 0.359 1.859 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.915 -0.334 1.877 1.00 0.00 H new ATOM 0 HD23 LEU A 20 0.085 -0.374 3.349 1.00 0.00 H new ATOM 327 N LYS A 21 -0.873 -5.067 4.590 1.00 0.00 N ATOM 328 CA LYS A 21 -1.808 -6.104 5.111 1.00 0.00 C ATOM 329 C LYS A 21 -2.032 -5.892 6.605 1.00 0.00 C ATOM 330 O LYS A 21 -3.129 -6.027 7.099 1.00 0.00 O ATOM 331 CB LYS A 21 -1.203 -7.489 4.882 1.00 0.00 C ATOM 332 CG LYS A 21 -2.150 -8.558 5.429 1.00 0.00 C ATOM 333 CD LYS A 21 -1.433 -9.366 6.513 1.00 0.00 C ATOM 334 CE LYS A 21 -2.381 -9.594 7.692 1.00 0.00 C ATOM 335 NZ LYS A 21 -2.432 -11.049 8.014 1.00 0.00 N ATOM 0 H LYS A 21 0.052 -5.417 4.339 1.00 0.00 H new ATOM 0 HA LYS A 21 -2.762 -6.026 4.589 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.031 -7.651 3.818 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -0.234 -7.560 5.376 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -3.045 -8.091 5.840 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -2.476 -9.217 4.624 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.102 -10.323 6.109 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.541 -8.835 6.847 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.041 -9.030 8.560 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -3.379 -9.230 7.446 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -3.076 -11.205 8.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -2.776 -11.576 7.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -1.480 -11.382 8.266 1.00 0.00 H new ATOM 349 N LYS A 22 -1.004 -5.559 7.332 1.00 0.00 N ATOM 350 CA LYS A 22 -1.176 -5.331 8.785 1.00 0.00 C ATOM 351 C LYS A 22 -2.091 -4.126 8.972 1.00 0.00 C ATOM 352 O LYS A 22 -3.138 -4.201 9.583 1.00 0.00 O ATOM 353 CB LYS A 22 0.182 -5.027 9.414 1.00 0.00 C ATOM 354 CG LYS A 22 0.732 -6.286 10.087 1.00 0.00 C ATOM 355 CD LYS A 22 1.466 -7.140 9.051 1.00 0.00 C ATOM 356 CE LYS A 22 2.741 -7.713 9.673 1.00 0.00 C ATOM 357 NZ LYS A 22 3.577 -6.600 10.206 1.00 0.00 N ATOM 0 H LYS A 22 -0.055 -5.436 6.980 1.00 0.00 H new ATOM 0 HA LYS A 22 -1.605 -6.215 9.258 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.877 -4.678 8.651 1.00 0.00 H new ATOM 0 HB3 LYS A 22 0.083 -4.225 10.146 1.00 0.00 H new ATOM 0 HG2 LYS A 22 1.411 -6.012 10.895 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -0.082 -6.857 10.534 1.00 0.00 H new ATOM 0 HD2 LYS A 22 0.821 -7.949 8.708 1.00 0.00 H new ATOM 0 HD3 LYS A 22 1.714 -6.537 8.177 1.00 0.00 H new ATOM 0 HE2 LYS A 22 2.487 -8.407 10.474 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.301 -8.277 8.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 4.577 -6.782 9.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 3.284 -5.704 9.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 3.454 -6.536 11.237 1.00 0.00 H new ATOM 371 N GLU A 23 -1.687 -3.019 8.425 1.00 0.00 N ATOM 372 CA GLU A 23 -2.487 -1.780 8.518 1.00 0.00 C ATOM 373 C GLU A 23 -3.882 -2.039 7.956 1.00 0.00 C ATOM 374 O GLU A 23 -4.862 -2.083 8.673 1.00 0.00 O ATOM 375 CB GLU A 23 -1.786 -0.713 7.685 1.00 0.00 C ATOM 376 CG GLU A 23 -0.413 -0.420 8.293 1.00 0.00 C ATOM 377 CD GLU A 23 -0.587 0.337 9.611 1.00 0.00 C ATOM 378 OE1 GLU A 23 -0.802 -0.314 10.620 1.00 0.00 O ATOM 379 OE2 GLU A 23 -0.502 1.553 9.588 1.00 0.00 O ATOM 0 H GLU A 23 -0.814 -2.923 7.906 1.00 0.00 H new ATOM 0 HA GLU A 23 -2.579 -1.453 9.554 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -1.676 -1.053 6.655 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -2.386 0.196 7.658 1.00 0.00 H new ATOM 0 HG2 GLU A 23 0.126 -1.352 8.465 1.00 0.00 H new ATOM 0 HG3 GLU A 23 0.185 0.171 7.599 1.00 0.00 H new ATOM 386 N LEU A 24 -3.965 -2.226 6.671 1.00 0.00 N ATOM 387 CA LEU A 24 -5.273 -2.502 6.027 1.00 0.00 C ATOM 388 C LEU A 24 -5.911 -3.726 6.687 1.00 0.00 C ATOM 389 O LEU A 24 -7.094 -3.970 6.558 1.00 0.00 O ATOM 390 CB LEU A 24 -5.032 -2.786 4.545 1.00 0.00 C ATOM 391 CG LEU A 24 -4.441 -1.541 3.880 1.00 0.00 C ATOM 392 CD1 LEU A 24 -3.297 -1.953 2.953 1.00 0.00 C ATOM 393 CD2 LEU A 24 -5.525 -0.832 3.067 1.00 0.00 C ATOM 0 H LEU A 24 -3.170 -2.199 6.032 1.00 0.00 H new ATOM 0 HA LEU A 24 -5.939 -1.646 6.139 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.352 -3.630 4.431 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -5.968 -3.062 4.059 1.00 0.00 H new ATOM 0 HG LEU A 24 -4.063 -0.865 4.647 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -2.876 -1.067 2.479 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -2.523 -2.457 3.532 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -3.675 -2.629 2.186 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.103 0.055 2.594 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.905 -1.507 2.300 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.341 -0.538 3.727 1.00 0.00 H new ATOM 405 N ALA A 25 -5.132 -4.493 7.402 1.00 0.00 N ATOM 406 CA ALA A 25 -5.677 -5.693 8.080 1.00 0.00 C ATOM 407 C ALA A 25 -6.330 -6.630 7.062 1.00 0.00 C ATOM 408 O ALA A 25 -7.466 -7.032 7.219 1.00 0.00 O ATOM 409 CB ALA A 25 -6.704 -5.242 9.108 1.00 0.00 C ATOM 0 H ALA A 25 -4.134 -4.334 7.543 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.870 -6.236 8.572 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.116 -6.113 9.617 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -6.226 -4.588 9.837 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -7.507 -4.701 8.607 1.00 0.00 H new ATOM 415 N LEU A 26 -5.618 -7.004 6.030 1.00 0.00 N ATOM 416 CA LEU A 26 -6.209 -7.938 5.031 1.00 0.00 C ATOM 417 C LEU A 26 -6.103 -9.359 5.582 1.00 0.00 C ATOM 418 O LEU A 26 -5.214 -9.652 6.357 1.00 0.00 O ATOM 419 CB LEU A 26 -5.445 -7.859 3.705 1.00 0.00 C ATOM 420 CG LEU A 26 -5.054 -6.412 3.405 1.00 0.00 C ATOM 421 CD1 LEU A 26 -4.072 -6.387 2.239 1.00 0.00 C ATOM 422 CD2 LEU A 26 -6.302 -5.606 3.039 1.00 0.00 C ATOM 0 H LEU A 26 -4.662 -6.705 5.838 1.00 0.00 H new ATOM 0 HA LEU A 26 -7.249 -7.667 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.552 -8.482 3.754 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.063 -8.251 2.897 1.00 0.00 H new ATOM 0 HG LEU A 26 -4.588 -5.972 4.286 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.791 -5.356 2.022 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -3.182 -6.959 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -4.541 -6.828 1.359 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -6.020 -4.575 2.826 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -6.772 -6.043 2.158 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -7.005 -5.625 3.872 1.00 0.00 H new ATOM 434 N PRO A 27 -7.011 -10.202 5.174 1.00 0.00 N ATOM 435 CA PRO A 27 -7.030 -11.601 5.625 1.00 0.00 C ATOM 436 C PRO A 27 -5.652 -12.245 5.430 1.00 0.00 C ATOM 437 O PRO A 27 -4.716 -11.604 4.996 1.00 0.00 O ATOM 438 CB PRO A 27 -8.113 -12.262 4.765 1.00 0.00 C ATOM 439 CG PRO A 27 -8.946 -11.111 4.141 1.00 0.00 C ATOM 440 CD PRO A 27 -8.087 -9.839 4.235 1.00 0.00 C ATOM 0 HA PRO A 27 -7.249 -11.708 6.687 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -7.666 -12.882 3.988 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -8.744 -12.914 5.369 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -9.196 -11.333 3.103 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -9.888 -10.982 4.675 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.688 -9.555 3.261 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -8.667 -8.992 4.601 1.00 0.00 H new ATOM 448 N GLU A 28 -5.511 -13.498 5.770 1.00 0.00 N ATOM 449 CA GLU A 28 -4.182 -14.162 5.628 1.00 0.00 C ATOM 450 C GLU A 28 -3.946 -14.552 4.169 1.00 0.00 C ATOM 451 O GLU A 28 -2.824 -14.726 3.737 1.00 0.00 O ATOM 452 CB GLU A 28 -4.148 -15.418 6.501 1.00 0.00 C ATOM 453 CG GLU A 28 -3.746 -15.037 7.926 1.00 0.00 C ATOM 454 CD GLU A 28 -4.539 -15.882 8.925 1.00 0.00 C ATOM 455 OE1 GLU A 28 -5.604 -16.351 8.560 1.00 0.00 O ATOM 456 OE2 GLU A 28 -4.067 -16.046 10.038 1.00 0.00 O ATOM 0 H GLU A 28 -6.256 -14.089 6.139 1.00 0.00 H new ATOM 0 HA GLU A 28 -3.400 -13.471 5.944 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -5.126 -15.899 6.504 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -3.440 -16.139 6.092 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -2.677 -15.195 8.068 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -3.937 -13.978 8.098 1.00 0.00 H new ATOM 463 N TYR A 29 -4.991 -14.688 3.405 1.00 0.00 N ATOM 464 CA TYR A 29 -4.820 -15.063 1.975 1.00 0.00 C ATOM 465 C TYR A 29 -4.317 -13.854 1.174 1.00 0.00 C ATOM 466 O TYR A 29 -4.068 -13.957 -0.010 1.00 0.00 O ATOM 467 CB TYR A 29 -6.164 -15.541 1.406 1.00 0.00 C ATOM 468 CG TYR A 29 -7.043 -14.356 1.082 1.00 0.00 C ATOM 469 CD1 TYR A 29 -6.927 -13.176 1.822 1.00 0.00 C ATOM 470 CD2 TYR A 29 -7.977 -14.442 0.045 1.00 0.00 C ATOM 471 CE1 TYR A 29 -7.737 -12.083 1.528 1.00 0.00 C ATOM 472 CE2 TYR A 29 -8.793 -13.346 -0.251 1.00 0.00 C ATOM 473 CZ TYR A 29 -8.674 -12.164 0.491 1.00 0.00 C ATOM 474 OH TYR A 29 -9.478 -11.081 0.199 1.00 0.00 O ATOM 0 H TYR A 29 -5.956 -14.556 3.708 1.00 0.00 H new ATOM 0 HA TYR A 29 -4.088 -15.867 1.899 1.00 0.00 H new ATOM 0 HB2 TYR A 29 -5.996 -16.135 0.508 1.00 0.00 H new ATOM 0 HB3 TYR A 29 -6.664 -16.187 2.127 1.00 0.00 H new ATOM 0 HD1 TYR A 29 -6.207 -13.112 2.624 1.00 0.00 H new ATOM 0 HD2 TYR A 29 -8.068 -15.354 -0.527 1.00 0.00 H new ATOM 0 HE1 TYR A 29 -7.643 -11.172 2.100 1.00 0.00 H new ATOM 0 HE2 TYR A 29 -9.515 -13.411 -1.052 1.00 0.00 H new ATOM 0 HH TYR A 29 -10.071 -11.306 -0.549 1.00 0.00 H new ATOM 484 N TYR A 30 -4.182 -12.709 1.811 1.00 0.00 N ATOM 485 CA TYR A 30 -3.704 -11.488 1.082 1.00 0.00 C ATOM 486 C TYR A 30 -2.661 -11.894 0.039 1.00 0.00 C ATOM 487 O TYR A 30 -1.531 -12.200 0.362 1.00 0.00 O ATOM 488 CB TYR A 30 -3.079 -10.496 2.075 1.00 0.00 C ATOM 489 CG TYR A 30 -2.725 -9.205 1.360 1.00 0.00 C ATOM 490 CD1 TYR A 30 -3.560 -8.712 0.350 1.00 0.00 C ATOM 491 CD2 TYR A 30 -1.558 -8.505 1.703 1.00 0.00 C ATOM 492 CE1 TYR A 30 -3.231 -7.526 -0.316 1.00 0.00 C ATOM 493 CE2 TYR A 30 -1.229 -7.312 1.036 1.00 0.00 C ATOM 494 CZ TYR A 30 -2.068 -6.826 0.026 1.00 0.00 C ATOM 495 OH TYR A 30 -1.748 -5.657 -0.633 1.00 0.00 O ATOM 0 H TYR A 30 -4.382 -12.570 2.801 1.00 0.00 H new ATOM 0 HA TYR A 30 -4.550 -11.011 0.587 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -3.777 -10.293 2.887 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.186 -10.931 2.523 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -4.459 -9.248 0.085 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -0.911 -8.884 2.481 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.876 -7.150 -1.096 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -0.332 -6.772 1.302 1.00 0.00 H new ATOM 0 HH TYR A 30 -1.250 -5.067 -0.029 1.00 0.00 H new ATOM 505 N GLY A 31 -3.039 -11.916 -1.212 1.00 0.00 N ATOM 506 CA GLY A 31 -2.074 -12.320 -2.273 1.00 0.00 C ATOM 507 C GLY A 31 -0.924 -11.319 -2.329 1.00 0.00 C ATOM 508 O GLY A 31 0.119 -11.592 -2.886 1.00 0.00 O ATOM 0 H GLY A 31 -3.972 -11.672 -1.543 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.690 -13.319 -2.068 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -2.578 -12.365 -3.239 1.00 0.00 H new ATOM 512 N GLU A 32 -1.113 -10.159 -1.761 1.00 0.00 N ATOM 513 CA GLU A 32 -0.037 -9.127 -1.777 1.00 0.00 C ATOM 514 C GLU A 32 0.117 -8.553 -3.188 1.00 0.00 C ATOM 515 O GLU A 32 0.926 -7.684 -3.423 1.00 0.00 O ATOM 516 CB GLU A 32 1.289 -9.752 -1.332 1.00 0.00 C ATOM 517 CG GLU A 32 1.091 -10.479 -0.001 1.00 0.00 C ATOM 518 CD GLU A 32 2.185 -11.534 0.174 1.00 0.00 C ATOM 519 OE1 GLU A 32 2.355 -12.338 -0.727 1.00 0.00 O ATOM 520 OE2 GLU A 32 2.834 -11.519 1.207 1.00 0.00 O ATOM 0 H GLU A 32 -1.971 -9.880 -1.284 1.00 0.00 H new ATOM 0 HA GLU A 32 -0.307 -8.325 -1.091 1.00 0.00 H new ATOM 0 HB2 GLU A 32 1.646 -10.450 -2.089 1.00 0.00 H new ATOM 0 HB3 GLU A 32 2.050 -8.979 -1.226 1.00 0.00 H new ATOM 0 HG2 GLU A 32 1.124 -9.766 0.823 1.00 0.00 H new ATOM 0 HG3 GLU A 32 0.109 -10.951 0.025 1.00 0.00 H new ATOM 527 N ASN A 33 -0.652 -9.022 -4.133 1.00 0.00 N ATOM 528 CA ASN A 33 -0.533 -8.476 -5.514 1.00 0.00 C ATOM 529 C ASN A 33 -1.338 -7.181 -5.621 1.00 0.00 C ATOM 530 O ASN A 33 -1.957 -6.743 -4.673 1.00 0.00 O ATOM 531 CB ASN A 33 -1.038 -9.496 -6.546 1.00 0.00 C ATOM 532 CG ASN A 33 -2.306 -10.197 -6.046 1.00 0.00 C ATOM 533 OD1 ASN A 33 -3.399 -9.848 -6.441 1.00 0.00 O ATOM 534 ND2 ASN A 33 -2.208 -11.189 -5.206 1.00 0.00 N ATOM 0 H ASN A 33 -1.352 -9.754 -4.010 1.00 0.00 H new ATOM 0 HA ASN A 33 0.517 -8.270 -5.722 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -1.244 -8.992 -7.490 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -0.262 -10.236 -6.742 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -3.048 -11.669 -4.883 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -1.291 -11.485 -4.872 1.00 0.00 H new ATOM 541 N LEU A 34 -1.337 -6.565 -6.771 1.00 0.00 N ATOM 542 CA LEU A 34 -2.105 -5.300 -6.944 1.00 0.00 C ATOM 543 C LEU A 34 -3.588 -5.629 -7.050 1.00 0.00 C ATOM 544 O LEU A 34 -4.431 -4.949 -6.521 1.00 0.00 O ATOM 545 CB LEU A 34 -1.662 -4.617 -8.231 1.00 0.00 C ATOM 546 CG LEU A 34 -0.225 -4.123 -8.079 1.00 0.00 C ATOM 547 CD1 LEU A 34 0.269 -3.572 -9.417 1.00 0.00 C ATOM 548 CD2 LEU A 34 -0.180 -3.017 -7.023 1.00 0.00 C ATOM 0 H LEU A 34 -0.836 -6.884 -7.600 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.926 -4.643 -6.093 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.732 -5.313 -9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.323 -3.780 -8.457 1.00 0.00 H new ATOM 0 HG LEU A 34 0.415 -4.949 -7.770 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.295 -3.219 -9.309 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.233 -4.359 -10.170 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.369 -2.744 -9.727 1.00 0.00 H new ATOM 0 HD21 LEU A 34 0.844 -2.662 -6.912 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -0.819 -2.191 -7.334 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.533 -3.410 -6.070 1.00 0.00 H new ATOM 560 N ASP A 35 -3.899 -6.668 -7.747 1.00 0.00 N ATOM 561 CA ASP A 35 -5.318 -7.078 -7.914 1.00 0.00 C ATOM 562 C ASP A 35 -5.945 -7.351 -6.546 1.00 0.00 C ATOM 563 O ASP A 35 -7.110 -7.088 -6.318 1.00 0.00 O ATOM 564 CB ASP A 35 -5.347 -8.368 -8.719 1.00 0.00 C ATOM 565 CG ASP A 35 -5.072 -8.065 -10.193 1.00 0.00 C ATOM 566 OD1 ASP A 35 -4.560 -6.993 -10.472 1.00 0.00 O ATOM 567 OD2 ASP A 35 -5.379 -8.909 -11.018 1.00 0.00 O ATOM 0 H ASP A 35 -3.223 -7.267 -8.220 1.00 0.00 H new ATOM 0 HA ASP A 35 -5.872 -6.286 -8.418 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -4.600 -9.063 -8.336 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -6.318 -8.852 -8.613 1.00 0.00 H new ATOM 572 N ALA A 36 -5.177 -7.882 -5.638 1.00 0.00 N ATOM 573 CA ALA A 36 -5.720 -8.185 -4.283 1.00 0.00 C ATOM 574 C ALA A 36 -5.740 -6.908 -3.470 1.00 0.00 C ATOM 575 O ALA A 36 -6.751 -6.509 -2.930 1.00 0.00 O ATOM 576 CB ALA A 36 -4.829 -9.204 -3.580 1.00 0.00 C ATOM 0 H ALA A 36 -4.195 -8.120 -5.774 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.726 -8.592 -4.379 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -5.233 -9.420 -2.591 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -4.794 -10.123 -4.166 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -3.822 -8.799 -3.480 1.00 0.00 H new ATOM 582 N LEU A 37 -4.622 -6.258 -3.394 1.00 0.00 N ATOM 583 CA LEU A 37 -4.554 -4.989 -2.632 1.00 0.00 C ATOM 584 C LEU A 37 -5.755 -4.138 -3.032 1.00 0.00 C ATOM 585 O LEU A 37 -6.553 -3.713 -2.216 1.00 0.00 O ATOM 586 CB LEU A 37 -3.260 -4.262 -2.999 1.00 0.00 C ATOM 587 CG LEU A 37 -3.366 -2.791 -2.597 1.00 0.00 C ATOM 588 CD1 LEU A 37 -3.388 -2.677 -1.071 1.00 0.00 C ATOM 589 CD2 LEU A 37 -2.164 -2.022 -3.150 1.00 0.00 C ATOM 0 H LEU A 37 -3.747 -6.551 -3.829 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.568 -5.176 -1.558 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -2.414 -4.727 -2.494 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -3.076 -4.344 -4.070 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.285 -2.370 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.464 -1.628 -0.786 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.246 -3.223 -0.678 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.470 -3.099 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -2.240 -0.973 -2.863 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -1.244 -2.444 -2.744 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.150 -2.101 -4.237 1.00 0.00 H new ATOM 601 N TRP A 38 -5.875 -3.898 -4.299 1.00 0.00 N ATOM 602 CA TRP A 38 -6.999 -3.098 -4.814 1.00 0.00 C ATOM 603 C TRP A 38 -8.294 -3.741 -4.385 1.00 0.00 C ATOM 604 O TRP A 38 -9.123 -3.136 -3.741 1.00 0.00 O ATOM 605 CB TRP A 38 -6.968 -3.085 -6.338 1.00 0.00 C ATOM 606 CG TRP A 38 -8.092 -2.241 -6.814 1.00 0.00 C ATOM 607 CD1 TRP A 38 -9.340 -2.681 -7.030 1.00 0.00 C ATOM 608 CD2 TRP A 38 -8.096 -0.825 -7.101 1.00 0.00 C ATOM 609 NE1 TRP A 38 -10.123 -1.618 -7.452 1.00 0.00 N ATOM 610 CE2 TRP A 38 -9.392 -0.446 -7.510 1.00 0.00 C ATOM 611 CE3 TRP A 38 -7.104 0.151 -7.050 1.00 0.00 C ATOM 612 CZ2 TRP A 38 -9.686 0.874 -7.855 1.00 0.00 C ATOM 613 CZ3 TRP A 38 -7.382 1.467 -7.387 1.00 0.00 C ATOM 614 CH2 TRP A 38 -8.674 1.840 -7.791 1.00 0.00 C ATOM 0 H TRP A 38 -5.226 -4.231 -5.012 1.00 0.00 H new ATOM 0 HA TRP A 38 -6.920 -2.082 -4.427 1.00 0.00 H new ATOM 0 HB2 TRP A 38 -6.017 -2.690 -6.696 1.00 0.00 H new ATOM 0 HB3 TRP A 38 -7.060 -4.098 -6.729 1.00 0.00 H new ATOM 0 HD1 TRP A 38 -9.680 -3.698 -6.897 1.00 0.00 H new ATOM 0 HE1 TRP A 38 -11.112 -1.691 -7.689 1.00 0.00 H new ATOM 0 HE3 TRP A 38 -6.105 -0.121 -6.744 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 -10.683 1.147 -8.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 -6.600 2.210 -7.338 1.00 0.00 H new ATOM 0 HH2 TRP A 38 -8.886 2.867 -8.051 1.00 0.00 H new ATOM 625 N ASP A 39 -8.467 -4.976 -4.744 1.00 0.00 N ATOM 626 CA ASP A 39 -9.707 -5.692 -4.366 1.00 0.00 C ATOM 627 C ASP A 39 -10.033 -5.354 -2.915 1.00 0.00 C ATOM 628 O ASP A 39 -11.174 -5.366 -2.498 1.00 0.00 O ATOM 629 CB ASP A 39 -9.489 -7.195 -4.508 1.00 0.00 C ATOM 630 CG ASP A 39 -9.905 -7.643 -5.910 1.00 0.00 C ATOM 631 OD1 ASP A 39 -10.968 -7.237 -6.350 1.00 0.00 O ATOM 632 OD2 ASP A 39 -9.153 -8.386 -6.520 1.00 0.00 O ATOM 0 H ASP A 39 -7.798 -5.523 -5.286 1.00 0.00 H new ATOM 0 HA ASP A 39 -10.530 -5.391 -5.014 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -8.441 -7.439 -4.333 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -10.070 -7.730 -3.757 1.00 0.00 H new ATOM 637 N CYS A 40 -9.026 -5.041 -2.147 1.00 0.00 N ATOM 638 CA CYS A 40 -9.253 -4.689 -0.727 1.00 0.00 C ATOM 639 C CYS A 40 -9.720 -3.232 -0.615 1.00 0.00 C ATOM 640 O CYS A 40 -10.714 -2.947 0.018 1.00 0.00 O ATOM 641 CB CYS A 40 -7.948 -4.867 0.046 1.00 0.00 C ATOM 642 SG CYS A 40 -7.295 -6.530 -0.243 1.00 0.00 S ATOM 0 H CYS A 40 -8.052 -5.015 -2.449 1.00 0.00 H new ATOM 0 HA CYS A 40 -10.022 -5.340 -0.312 1.00 0.00 H new ATOM 0 HB2 CYS A 40 -7.221 -4.119 -0.271 1.00 0.00 H new ATOM 0 HB3 CYS A 40 -8.120 -4.713 1.111 1.00 0.00 H new ATOM 0 HG CYS A 40 -7.071 -6.694 -1.513 1.00 0.00 H new ATOM 648 N LEU A 41 -9.015 -2.301 -1.211 1.00 0.00 N ATOM 649 CA LEU A 41 -9.429 -0.881 -1.105 1.00 0.00 C ATOM 650 C LEU A 41 -10.851 -0.695 -1.641 1.00 0.00 C ATOM 651 O LEU A 41 -11.693 -0.097 -1.001 1.00 0.00 O ATOM 652 CB LEU A 41 -8.467 -0.019 -1.921 1.00 0.00 C ATOM 653 CG LEU A 41 -7.021 -0.337 -1.531 1.00 0.00 C ATOM 654 CD1 LEU A 41 -6.076 0.465 -2.419 1.00 0.00 C ATOM 655 CD2 LEU A 41 -6.787 0.039 -0.066 1.00 0.00 C ATOM 0 H LEU A 41 -8.174 -2.470 -1.763 1.00 0.00 H new ATOM 0 HA LEU A 41 -9.407 -0.583 -0.057 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -8.614 -0.203 -2.985 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -8.675 1.037 -1.748 1.00 0.00 H new ATOM 0 HG LEU A 41 -6.834 -1.403 -1.662 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.044 0.243 -2.146 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.241 0.196 -3.462 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -6.266 1.530 -2.284 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -5.757 -0.189 0.208 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -6.972 1.105 0.070 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.466 -0.531 0.569 1.00 0.00 H new ATOM 667 N THR A 42 -11.116 -1.178 -2.822 1.00 0.00 N ATOM 668 CA THR A 42 -12.462 -1.008 -3.419 1.00 0.00 C ATOM 669 C THR A 42 -13.472 -1.964 -2.777 1.00 0.00 C ATOM 670 O THR A 42 -14.619 -2.010 -3.177 1.00 0.00 O ATOM 671 CB THR A 42 -12.384 -1.286 -4.922 1.00 0.00 C ATOM 672 OG1 THR A 42 -11.634 -2.473 -5.144 1.00 0.00 O ATOM 673 CG2 THR A 42 -11.703 -0.110 -5.625 1.00 0.00 C ATOM 0 H THR A 42 -10.449 -1.687 -3.402 1.00 0.00 H new ATOM 0 HA THR A 42 -12.795 0.015 -3.241 1.00 0.00 H new ATOM 0 HB THR A 42 -13.390 -1.412 -5.322 1.00 0.00 H new ATOM 0 HG1 THR A 42 -10.953 -2.307 -5.829 1.00 0.00 H new ATOM 0 HG21 THR A 42 -11.648 -0.309 -6.695 1.00 0.00 H new ATOM 0 HG22 THR A 42 -12.279 0.799 -5.454 1.00 0.00 H new ATOM 0 HG23 THR A 42 -10.696 0.018 -5.227 1.00 0.00 H new ATOM 681 N GLY A 43 -13.080 -2.731 -1.794 1.00 0.00 N ATOM 682 CA GLY A 43 -14.070 -3.663 -1.175 1.00 0.00 C ATOM 683 C GLY A 43 -13.479 -4.388 0.039 1.00 0.00 C ATOM 684 O GLY A 43 -13.441 -5.602 0.082 1.00 0.00 O ATOM 0 H GLY A 43 -12.140 -2.755 -1.399 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -14.955 -3.105 -0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -14.393 -4.395 -1.915 1.00 0.00 H new ATOM 688 N TRP A 44 -13.039 -3.668 1.035 1.00 0.00 N ATOM 689 CA TRP A 44 -12.481 -4.336 2.241 1.00 0.00 C ATOM 690 C TRP A 44 -11.993 -3.282 3.237 1.00 0.00 C ATOM 691 O TRP A 44 -12.531 -3.135 4.316 1.00 0.00 O ATOM 692 CB TRP A 44 -11.315 -5.230 1.832 1.00 0.00 C ATOM 693 CG TRP A 44 -10.766 -5.902 3.046 1.00 0.00 C ATOM 694 CD1 TRP A 44 -9.693 -5.474 3.744 1.00 0.00 C ATOM 695 CD2 TRP A 44 -11.247 -7.099 3.723 1.00 0.00 C ATOM 696 NE1 TRP A 44 -9.477 -6.335 4.806 1.00 0.00 N ATOM 697 CE2 TRP A 44 -10.412 -7.353 4.837 1.00 0.00 C ATOM 698 CE3 TRP A 44 -12.315 -7.983 3.482 1.00 0.00 C ATOM 699 CZ2 TRP A 44 -10.630 -8.443 5.681 1.00 0.00 C ATOM 700 CZ3 TRP A 44 -12.537 -9.080 4.329 1.00 0.00 C ATOM 701 CH2 TRP A 44 -11.696 -9.310 5.427 1.00 0.00 C ATOM 0 H TRP A 44 -13.042 -2.648 1.064 1.00 0.00 H new ATOM 0 HA TRP A 44 -13.257 -4.941 2.710 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -11.648 -5.974 1.108 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -10.539 -4.638 1.347 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -9.100 -4.602 3.512 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -8.721 -6.231 5.483 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -12.969 -7.816 2.639 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -9.979 -8.615 6.525 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -13.361 -9.751 4.134 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -11.872 -10.156 6.075 1.00 0.00 H new ATOM 712 N VAL A 45 -10.975 -2.553 2.881 1.00 0.00 N ATOM 713 CA VAL A 45 -10.440 -1.512 3.793 1.00 0.00 C ATOM 714 C VAL A 45 -11.527 -0.475 4.079 1.00 0.00 C ATOM 715 O VAL A 45 -12.362 -0.192 3.244 1.00 0.00 O ATOM 716 CB VAL A 45 -9.243 -0.822 3.136 1.00 0.00 C ATOM 717 CG1 VAL A 45 -8.557 0.087 4.156 1.00 0.00 C ATOM 718 CG2 VAL A 45 -8.244 -1.874 2.643 1.00 0.00 C ATOM 0 H VAL A 45 -10.488 -2.636 1.989 1.00 0.00 H new ATOM 0 HA VAL A 45 -10.125 -1.978 4.727 1.00 0.00 H new ATOM 0 HB VAL A 45 -9.591 -0.229 2.290 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -7.704 0.579 3.689 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -9.264 0.840 4.506 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -8.214 -0.509 5.002 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -7.394 -1.377 2.176 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -7.897 -2.470 3.487 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -8.729 -2.524 1.915 1.00 0.00 H new ATOM 728 N GLU A 46 -11.520 0.099 5.250 1.00 0.00 N ATOM 729 CA GLU A 46 -12.551 1.121 5.577 1.00 0.00 C ATOM 730 C GLU A 46 -11.944 2.517 5.431 1.00 0.00 C ATOM 731 O GLU A 46 -10.858 2.789 5.905 1.00 0.00 O ATOM 732 CB GLU A 46 -13.040 0.921 7.012 1.00 0.00 C ATOM 733 CG GLU A 46 -13.928 -0.324 7.078 1.00 0.00 C ATOM 734 CD GLU A 46 -13.183 -1.446 7.803 1.00 0.00 C ATOM 735 OE1 GLU A 46 -12.780 -1.229 8.934 1.00 0.00 O ATOM 736 OE2 GLU A 46 -13.027 -2.503 7.214 1.00 0.00 O ATOM 0 H GLU A 46 -10.847 -0.095 5.992 1.00 0.00 H new ATOM 0 HA GLU A 46 -13.394 1.017 4.894 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -12.190 0.811 7.685 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -13.598 1.797 7.343 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -14.857 -0.094 7.600 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.199 -0.644 6.072 1.00 0.00 H new ATOM 743 N TYR A 47 -12.638 3.401 4.773 1.00 0.00 N ATOM 744 CA TYR A 47 -12.113 4.782 4.582 1.00 0.00 C ATOM 745 C TYR A 47 -12.993 5.756 5.381 1.00 0.00 C ATOM 746 O TYR A 47 -14.042 5.366 5.854 1.00 0.00 O ATOM 747 CB TYR A 47 -12.157 5.109 3.084 1.00 0.00 C ATOM 748 CG TYR A 47 -11.085 4.326 2.346 1.00 0.00 C ATOM 749 CD1 TYR A 47 -10.058 3.674 3.046 1.00 0.00 C ATOM 750 CD2 TYR A 47 -11.119 4.253 0.950 1.00 0.00 C ATOM 751 CE1 TYR A 47 -9.077 2.958 2.349 1.00 0.00 C ATOM 752 CE2 TYR A 47 -10.139 3.533 0.259 1.00 0.00 C ATOM 753 CZ TYR A 47 -9.119 2.888 0.958 1.00 0.00 C ATOM 754 OH TYR A 47 -8.155 2.180 0.274 1.00 0.00 O ATOM 0 H TYR A 47 -13.552 3.226 4.356 1.00 0.00 H new ATOM 0 HA TYR A 47 -11.086 4.868 4.936 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -13.139 4.865 2.680 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -12.006 6.178 2.933 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -10.024 3.725 4.124 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -11.904 4.754 0.404 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -8.287 2.459 2.890 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.172 3.476 -0.819 1.00 0.00 H new ATOM 0 HH TYR A 47 -7.278 2.346 0.679 1.00 0.00 H new ATOM 764 N PRO A 48 -12.553 6.990 5.535 1.00 0.00 N ATOM 765 CA PRO A 48 -11.279 7.505 4.974 1.00 0.00 C ATOM 766 C PRO A 48 -10.067 6.752 5.523 1.00 0.00 C ATOM 767 O PRO A 48 -10.001 6.413 6.688 1.00 0.00 O ATOM 768 CB PRO A 48 -11.224 8.974 5.416 1.00 0.00 C ATOM 769 CG PRO A 48 -12.495 9.268 6.250 1.00 0.00 C ATOM 770 CD PRO A 48 -13.327 7.980 6.304 1.00 0.00 C ATOM 0 HA PRO A 48 -11.248 7.381 3.892 1.00 0.00 H new ATOM 0 HB2 PRO A 48 -10.328 9.161 6.008 1.00 0.00 H new ATOM 0 HB3 PRO A 48 -11.176 9.632 4.548 1.00 0.00 H new ATOM 0 HG2 PRO A 48 -12.226 9.592 7.255 1.00 0.00 H new ATOM 0 HG3 PRO A 48 -13.070 10.076 5.798 1.00 0.00 H new ATOM 0 HD2 PRO A 48 -13.477 7.651 7.332 1.00 0.00 H new ATOM 0 HD3 PRO A 48 -14.315 8.131 5.870 1.00 0.00 H new ATOM 778 N LEU A 49 -9.104 6.493 4.680 1.00 0.00 N ATOM 779 CA LEU A 49 -7.884 5.766 5.126 1.00 0.00 C ATOM 780 C LEU A 49 -6.675 6.684 4.991 1.00 0.00 C ATOM 781 O LEU A 49 -6.646 7.582 4.172 1.00 0.00 O ATOM 782 CB LEU A 49 -7.680 4.533 4.227 1.00 0.00 C ATOM 783 CG LEU A 49 -6.197 4.134 4.149 1.00 0.00 C ATOM 784 CD1 LEU A 49 -5.746 3.524 5.477 1.00 0.00 C ATOM 785 CD2 LEU A 49 -6.003 3.110 3.029 1.00 0.00 C ATOM 0 H LEU A 49 -9.112 6.756 3.695 1.00 0.00 H new ATOM 0 HA LEU A 49 -7.998 5.456 6.165 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -8.263 3.698 4.615 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.054 4.745 3.226 1.00 0.00 H new ATOM 0 HG LEU A 49 -5.600 5.023 3.944 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.694 3.245 5.411 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.878 4.254 6.276 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -6.344 2.638 5.692 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -4.952 2.827 2.973 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -6.607 2.226 3.236 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -6.312 3.547 2.079 1.00 0.00 H new ATOM 797 N VAL A 50 -5.656 6.426 5.752 1.00 0.00 N ATOM 798 CA VAL A 50 -4.425 7.237 5.632 1.00 0.00 C ATOM 799 C VAL A 50 -3.324 6.316 5.105 1.00 0.00 C ATOM 800 O VAL A 50 -3.175 5.202 5.552 1.00 0.00 O ATOM 801 CB VAL A 50 -4.036 7.825 7.009 1.00 0.00 C ATOM 802 CG1 VAL A 50 -2.633 7.363 7.435 1.00 0.00 C ATOM 803 CG2 VAL A 50 -4.042 9.351 6.926 1.00 0.00 C ATOM 0 H VAL A 50 -5.624 5.686 6.453 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.576 8.075 4.951 1.00 0.00 H new ATOM 0 HB VAL A 50 -4.760 7.475 7.744 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -2.388 7.792 8.406 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.613 6.275 7.504 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.902 7.693 6.697 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -3.768 9.769 7.895 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -3.324 9.677 6.174 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -5.038 9.696 6.650 1.00 0.00 H new ATOM 813 N LEU A 51 -2.534 6.774 4.193 1.00 0.00 N ATOM 814 CA LEU A 51 -1.428 5.922 3.698 1.00 0.00 C ATOM 815 C LEU A 51 -0.138 6.688 3.920 1.00 0.00 C ATOM 816 O LEU A 51 0.387 7.324 3.029 1.00 0.00 O ATOM 817 CB LEU A 51 -1.582 5.585 2.211 1.00 0.00 C ATOM 818 CG LEU A 51 -0.419 4.680 1.799 1.00 0.00 C ATOM 819 CD1 LEU A 51 -0.589 3.313 2.457 1.00 0.00 C ATOM 820 CD2 LEU A 51 -0.407 4.491 0.286 1.00 0.00 C ATOM 0 H LEU A 51 -2.602 7.698 3.767 1.00 0.00 H new ATOM 0 HA LEU A 51 -1.432 4.975 4.237 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -2.534 5.085 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -1.584 6.497 1.613 1.00 0.00 H new ATOM 0 HG LEU A 51 0.516 5.143 2.115 1.00 0.00 H new ATOM 0 HD11 LEU A 51 0.237 2.664 2.167 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.596 3.429 3.541 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.530 2.868 2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 51 0.425 3.845 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.344 4.033 -0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -0.294 5.460 -0.201 1.00 0.00 H new ATOM 832 N GLU A 52 0.367 6.641 5.115 1.00 0.00 N ATOM 833 CA GLU A 52 1.615 7.371 5.422 1.00 0.00 C ATOM 834 C GLU A 52 2.777 6.585 4.827 1.00 0.00 C ATOM 835 O GLU A 52 3.426 5.796 5.487 1.00 0.00 O ATOM 836 CB GLU A 52 1.759 7.481 6.941 1.00 0.00 C ATOM 837 CG GLU A 52 3.152 8.007 7.291 1.00 0.00 C ATOM 838 CD GLU A 52 3.054 8.957 8.486 1.00 0.00 C ATOM 839 OE1 GLU A 52 2.586 8.522 9.526 1.00 0.00 O ATOM 840 OE2 GLU A 52 3.449 10.102 8.342 1.00 0.00 O ATOM 0 H GLU A 52 -0.036 6.124 5.896 1.00 0.00 H new ATOM 0 HA GLU A 52 1.602 8.376 4.999 1.00 0.00 H new ATOM 0 HB2 GLU A 52 0.996 8.150 7.341 1.00 0.00 H new ATOM 0 HB3 GLU A 52 1.602 6.506 7.402 1.00 0.00 H new ATOM 0 HG2 GLU A 52 3.817 7.176 7.527 1.00 0.00 H new ATOM 0 HG3 GLU A 52 3.582 8.526 6.434 1.00 0.00 H new ATOM 847 N TRP A 53 3.019 6.790 3.562 1.00 0.00 N ATOM 848 CA TRP A 53 4.113 6.060 2.878 1.00 0.00 C ATOM 849 C TRP A 53 5.437 6.779 3.129 1.00 0.00 C ATOM 850 O TRP A 53 5.614 7.924 2.761 1.00 0.00 O ATOM 851 CB TRP A 53 3.823 6.016 1.377 1.00 0.00 C ATOM 852 CG TRP A 53 4.557 4.868 0.773 1.00 0.00 C ATOM 853 CD1 TRP A 53 5.878 4.628 0.937 1.00 0.00 C ATOM 854 CD2 TRP A 53 4.047 3.800 -0.081 1.00 0.00 C ATOM 855 NE1 TRP A 53 6.214 3.484 0.241 1.00 0.00 N ATOM 856 CE2 TRP A 53 5.123 2.938 -0.403 1.00 0.00 C ATOM 857 CE3 TRP A 53 2.772 3.494 -0.604 1.00 0.00 C ATOM 858 CZ2 TRP A 53 4.947 1.818 -1.210 1.00 0.00 C ATOM 859 CZ3 TRP A 53 2.597 2.361 -1.424 1.00 0.00 C ATOM 860 CH2 TRP A 53 3.684 1.529 -1.723 1.00 0.00 C ATOM 0 H TRP A 53 2.499 7.439 2.971 1.00 0.00 H new ATOM 0 HA TRP A 53 4.179 5.043 3.265 1.00 0.00 H new ATOM 0 HB2 TRP A 53 2.752 5.911 1.204 1.00 0.00 H new ATOM 0 HB3 TRP A 53 4.132 6.949 0.907 1.00 0.00 H new ATOM 0 HD1 TRP A 53 6.559 5.233 1.518 1.00 0.00 H new ATOM 0 HE1 TRP A 53 7.154 3.090 0.207 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.929 4.129 -0.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.785 1.176 -1.438 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.620 2.133 -1.824 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.543 0.662 -2.352 1.00 0.00 H new ATOM 871 N ARG A 54 6.369 6.117 3.753 1.00 0.00 N ATOM 872 CA ARG A 54 7.681 6.758 4.031 1.00 0.00 C ATOM 873 C ARG A 54 8.626 6.496 2.845 1.00 0.00 C ATOM 874 O ARG A 54 8.306 6.832 1.722 1.00 0.00 O ATOM 875 CB ARG A 54 8.247 6.180 5.333 1.00 0.00 C ATOM 876 CG ARG A 54 9.217 7.182 5.963 1.00 0.00 C ATOM 877 CD ARG A 54 8.486 7.978 7.048 1.00 0.00 C ATOM 878 NE ARG A 54 9.469 8.768 7.844 1.00 0.00 N ATOM 879 CZ ARG A 54 10.646 8.272 8.113 1.00 0.00 C ATOM 880 NH1 ARG A 54 10.760 7.027 8.488 1.00 0.00 N ATOM 881 NH2 ARG A 54 11.709 9.021 8.008 1.00 0.00 N ATOM 0 H ARG A 54 6.278 5.156 4.083 1.00 0.00 H new ATOM 0 HA ARG A 54 7.570 7.836 4.150 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.436 5.959 6.027 1.00 0.00 H new ATOM 0 HB3 ARG A 54 8.760 5.240 5.132 1.00 0.00 H new ATOM 0 HG2 ARG A 54 10.071 6.658 6.393 1.00 0.00 H new ATOM 0 HG3 ARG A 54 9.607 7.857 5.201 1.00 0.00 H new ATOM 0 HD2 ARG A 54 7.754 8.645 6.592 1.00 0.00 H new ATOM 0 HD3 ARG A 54 7.936 7.300 7.701 1.00 0.00 H new ATOM 0 HE ARG A 54 9.221 9.699 8.179 1.00 0.00 H new ATOM 0 HH11 ARG A 54 9.929 6.441 8.571 1.00 0.00 H new ATOM 0 HH12 ARG A 54 11.680 6.640 8.698 1.00 0.00 H new ATOM 0 HH21 ARG A 54 11.620 9.994 7.716 1.00 0.00 H new ATOM 0 HH22 ARG A 54 12.629 8.633 8.218 1.00 0.00 H new ATOM 895 N GLN A 55 9.777 5.907 3.069 1.00 0.00 N ATOM 896 CA GLN A 55 10.712 5.638 1.935 1.00 0.00 C ATOM 897 C GLN A 55 9.920 5.160 0.714 1.00 0.00 C ATOM 898 O GLN A 55 9.053 4.316 0.817 1.00 0.00 O ATOM 899 CB GLN A 55 11.709 4.553 2.347 1.00 0.00 C ATOM 900 CG GLN A 55 12.812 5.170 3.208 1.00 0.00 C ATOM 901 CD GLN A 55 12.271 5.444 4.613 1.00 0.00 C ATOM 902 OE1 GLN A 55 11.908 4.530 5.326 1.00 0.00 O ATOM 903 NE2 GLN A 55 12.201 6.674 5.042 1.00 0.00 N ATOM 0 H GLN A 55 10.107 5.603 3.985 1.00 0.00 H new ATOM 0 HA GLN A 55 11.247 6.554 1.683 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.197 3.767 2.902 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.142 4.088 1.462 1.00 0.00 H new ATOM 0 HG2 GLN A 55 13.666 4.495 3.261 1.00 0.00 H new ATOM 0 HG3 GLN A 55 13.165 6.097 2.756 1.00 0.00 H new ATOM 0 HE21 GLN A 55 12.506 7.441 4.443 1.00 0.00 H new ATOM 0 HE22 GLN A 55 11.841 6.869 5.976 1.00 0.00 H new ATOM 912 N PHE A 56 10.209 5.696 -0.442 1.00 0.00 N ATOM 913 CA PHE A 56 9.468 5.272 -1.664 1.00 0.00 C ATOM 914 C PHE A 56 10.431 4.584 -2.636 1.00 0.00 C ATOM 915 O PHE A 56 10.374 3.387 -2.835 1.00 0.00 O ATOM 916 CB PHE A 56 8.853 6.500 -2.339 1.00 0.00 C ATOM 917 CG PHE A 56 7.852 6.052 -3.377 1.00 0.00 C ATOM 918 CD1 PHE A 56 6.590 5.592 -2.980 1.00 0.00 C ATOM 919 CD2 PHE A 56 8.186 6.095 -4.736 1.00 0.00 C ATOM 920 CE1 PHE A 56 5.663 5.175 -3.943 1.00 0.00 C ATOM 921 CE2 PHE A 56 7.259 5.678 -5.698 1.00 0.00 C ATOM 922 CZ PHE A 56 5.997 5.218 -5.302 1.00 0.00 C ATOM 0 H PHE A 56 10.924 6.407 -0.592 1.00 0.00 H new ATOM 0 HA PHE A 56 8.677 4.576 -1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 56 8.365 7.131 -1.596 1.00 0.00 H new ATOM 0 HB3 PHE A 56 9.633 7.101 -2.806 1.00 0.00 H new ATOM 0 HD1 PHE A 56 6.332 5.559 -1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 56 9.159 6.450 -5.042 1.00 0.00 H new ATOM 0 HE1 PHE A 56 4.690 4.820 -3.637 1.00 0.00 H new ATOM 0 HE2 PHE A 56 7.517 5.711 -6.746 1.00 0.00 H new ATOM 0 HZ PHE A 56 5.282 4.897 -6.045 1.00 0.00 H new ATOM 932 N GLU A 57 11.315 5.329 -3.242 1.00 0.00 N ATOM 933 CA GLU A 57 12.277 4.710 -4.198 1.00 0.00 C ATOM 934 C GLU A 57 13.144 3.696 -3.452 1.00 0.00 C ATOM 935 O GLU A 57 13.529 2.678 -3.991 1.00 0.00 O ATOM 936 CB GLU A 57 13.169 5.795 -4.803 1.00 0.00 C ATOM 937 CG GLU A 57 12.311 6.771 -5.610 1.00 0.00 C ATOM 938 CD GLU A 57 12.752 8.205 -5.313 1.00 0.00 C ATOM 939 OE1 GLU A 57 13.718 8.644 -5.915 1.00 0.00 O ATOM 940 OE2 GLU A 57 12.116 8.840 -4.488 1.00 0.00 O ATOM 0 H GLU A 57 11.413 6.337 -3.117 1.00 0.00 H new ATOM 0 HA GLU A 57 11.728 4.209 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 57 13.698 6.327 -4.013 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.925 5.343 -5.445 1.00 0.00 H new ATOM 0 HG2 GLU A 57 12.409 6.563 -6.675 1.00 0.00 H new ATOM 0 HG3 GLU A 57 11.259 6.643 -5.356 1.00 0.00 H new ATOM 947 N GLN A 58 13.453 3.967 -2.215 1.00 0.00 N ATOM 948 CA GLN A 58 14.288 3.024 -1.432 1.00 0.00 C ATOM 949 C GLN A 58 13.524 1.711 -1.256 1.00 0.00 C ATOM 950 O GLN A 58 14.106 0.662 -1.070 1.00 0.00 O ATOM 951 CB GLN A 58 14.597 3.628 -0.062 1.00 0.00 C ATOM 952 CG GLN A 58 15.561 4.804 -0.229 1.00 0.00 C ATOM 953 CD GLN A 58 16.994 4.332 0.025 1.00 0.00 C ATOM 954 OE1 GLN A 58 17.431 3.349 -0.539 1.00 0.00 O ATOM 955 NE2 GLN A 58 17.748 4.996 0.858 1.00 0.00 N ATOM 0 H GLN A 58 13.160 4.806 -1.713 1.00 0.00 H new ATOM 0 HA GLN A 58 15.224 2.837 -1.958 1.00 0.00 H new ATOM 0 HB2 GLN A 58 13.676 3.964 0.415 1.00 0.00 H new ATOM 0 HB3 GLN A 58 15.037 2.873 0.589 1.00 0.00 H new ATOM 0 HG2 GLN A 58 15.476 5.217 -1.234 1.00 0.00 H new ATOM 0 HG3 GLN A 58 15.301 5.602 0.467 1.00 0.00 H new ATOM 0 HE21 GLN A 58 17.381 5.821 1.331 1.00 0.00 H new ATOM 0 HE22 GLN A 58 18.705 4.690 1.036 1.00 0.00 H new ATOM 964 N SER A 59 12.221 1.766 -1.320 1.00 0.00 N ATOM 965 CA SER A 59 11.410 0.526 -1.166 1.00 0.00 C ATOM 966 C SER A 59 10.713 0.219 -2.493 1.00 0.00 C ATOM 967 O SER A 59 9.742 -0.509 -2.546 1.00 0.00 O ATOM 968 CB SER A 59 10.363 0.729 -0.070 1.00 0.00 C ATOM 969 OG SER A 59 9.904 2.074 -0.103 1.00 0.00 O ATOM 0 H SER A 59 11.683 2.619 -1.473 1.00 0.00 H new ATOM 0 HA SER A 59 12.058 -0.306 -0.890 1.00 0.00 H new ATOM 0 HB2 SER A 59 9.528 0.044 -0.217 1.00 0.00 H new ATOM 0 HB3 SER A 59 10.793 0.503 0.906 1.00 0.00 H new ATOM 0 HG SER A 59 9.687 2.368 0.806 1.00 0.00 H new ATOM 975 N LYS A 60 11.218 0.761 -3.568 1.00 0.00 N ATOM 976 CA LYS A 60 10.610 0.497 -4.901 1.00 0.00 C ATOM 977 C LYS A 60 11.667 -0.132 -5.811 1.00 0.00 C ATOM 978 O LYS A 60 11.472 -1.198 -6.360 1.00 0.00 O ATOM 979 CB LYS A 60 10.121 1.810 -5.516 1.00 0.00 C ATOM 980 CG LYS A 60 9.549 1.537 -6.909 1.00 0.00 C ATOM 981 CD LYS A 60 9.515 2.838 -7.713 1.00 0.00 C ATOM 982 CE LYS A 60 10.025 2.575 -9.131 1.00 0.00 C ATOM 983 NZ LYS A 60 11.155 3.499 -9.432 1.00 0.00 N ATOM 0 H LYS A 60 12.030 1.378 -3.579 1.00 0.00 H new ATOM 0 HA LYS A 60 9.764 -0.181 -4.791 1.00 0.00 H new ATOM 0 HB2 LYS A 60 9.359 2.261 -4.880 1.00 0.00 H new ATOM 0 HB3 LYS A 60 10.944 2.522 -5.582 1.00 0.00 H new ATOM 0 HG2 LYS A 60 10.158 0.795 -7.425 1.00 0.00 H new ATOM 0 HG3 LYS A 60 8.544 1.122 -6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 60 8.499 3.230 -7.748 1.00 0.00 H new ATOM 0 HD3 LYS A 60 10.132 3.594 -7.228 1.00 0.00 H new ATOM 0 HE2 LYS A 60 10.353 1.540 -9.225 1.00 0.00 H new ATOM 0 HE3 LYS A 60 9.220 2.721 -9.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 11.502 3.321 -10.396 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 10.828 4.483 -9.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 11.925 3.339 -8.752 1.00 0.00 H new ATOM 1083 N ALA A 67 6.955 -0.358 -4.861 1.00 0.00 N ATOM 1084 CA ALA A 67 6.009 0.639 -4.308 1.00 0.00 C ATOM 1085 C ALA A 67 5.279 1.379 -5.432 1.00 0.00 C ATOM 1086 O ALA A 67 4.234 1.962 -5.224 1.00 0.00 O ATOM 1087 CB ALA A 67 6.794 1.642 -3.470 1.00 0.00 C ATOM 0 HA ALA A 67 5.267 0.126 -3.696 1.00 0.00 H new ATOM 0 HB1 ALA A 67 6.111 2.383 -3.056 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.300 1.120 -2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 67 7.533 2.140 -4.097 1.00 0.00 H new ATOM 1093 N GLU A 68 5.818 1.371 -6.617 1.00 0.00 N ATOM 1094 CA GLU A 68 5.160 2.077 -7.737 1.00 0.00 C ATOM 1095 C GLU A 68 3.824 1.395 -8.070 1.00 0.00 C ATOM 1096 O GLU A 68 2.898 2.021 -8.548 1.00 0.00 O ATOM 1097 CB GLU A 68 6.125 2.076 -8.941 1.00 0.00 C ATOM 1098 CG GLU A 68 5.534 1.306 -10.123 1.00 0.00 C ATOM 1099 CD GLU A 68 4.411 2.124 -10.763 1.00 0.00 C ATOM 1100 OE1 GLU A 68 4.605 3.313 -10.954 1.00 0.00 O ATOM 1101 OE2 GLU A 68 3.375 1.547 -11.051 1.00 0.00 O ATOM 0 H GLU A 68 6.692 0.901 -6.855 1.00 0.00 H new ATOM 0 HA GLU A 68 4.935 3.109 -7.469 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.337 3.102 -9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.074 1.627 -8.649 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.311 1.099 -10.859 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.149 0.343 -9.786 1.00 0.00 H new ATOM 1108 N SER A 69 3.724 0.117 -7.832 1.00 0.00 N ATOM 1109 CA SER A 69 2.460 -0.607 -8.146 1.00 0.00 C ATOM 1110 C SER A 69 1.424 -0.400 -7.031 1.00 0.00 C ATOM 1111 O SER A 69 0.321 0.061 -7.270 1.00 0.00 O ATOM 1112 CB SER A 69 2.763 -2.098 -8.291 1.00 0.00 C ATOM 1113 OG SER A 69 3.095 -2.380 -9.645 1.00 0.00 O ATOM 0 H SER A 69 4.465 -0.459 -7.433 1.00 0.00 H new ATOM 0 HA SER A 69 2.049 -0.215 -9.076 1.00 0.00 H new ATOM 0 HB2 SER A 69 3.588 -2.379 -7.636 1.00 0.00 H new ATOM 0 HB3 SER A 69 1.899 -2.688 -7.986 1.00 0.00 H new ATOM 0 HG SER A 69 3.444 -3.293 -9.713 1.00 0.00 H new ATOM 1119 N VAL A 70 1.760 -0.745 -5.816 1.00 0.00 N ATOM 1120 CA VAL A 70 0.789 -0.578 -4.702 1.00 0.00 C ATOM 1121 C VAL A 70 0.356 0.877 -4.635 1.00 0.00 C ATOM 1122 O VAL A 70 -0.810 1.182 -4.501 1.00 0.00 O ATOM 1123 CB VAL A 70 1.450 -0.969 -3.384 1.00 0.00 C ATOM 1124 CG1 VAL A 70 0.466 -0.738 -2.239 1.00 0.00 C ATOM 1125 CG2 VAL A 70 1.845 -2.444 -3.430 1.00 0.00 C ATOM 0 H VAL A 70 2.664 -1.134 -5.550 1.00 0.00 H new ATOM 0 HA VAL A 70 -0.078 -1.215 -4.874 1.00 0.00 H new ATOM 0 HB VAL A 70 2.341 -0.362 -3.227 1.00 0.00 H new ATOM 0 HG11 VAL A 70 0.934 -1.016 -1.295 1.00 0.00 H new ATOM 0 HG12 VAL A 70 0.184 0.315 -2.208 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -0.424 -1.347 -2.396 1.00 0.00 H new ATOM 0 HG21 VAL A 70 2.317 -2.724 -2.488 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.955 -3.054 -3.585 1.00 0.00 H new ATOM 0 HG23 VAL A 70 2.545 -2.608 -4.250 1.00 0.00 H new ATOM 1135 N LEU A 71 1.287 1.778 -4.738 1.00 0.00 N ATOM 1136 CA LEU A 71 0.928 3.218 -4.692 1.00 0.00 C ATOM 1137 C LEU A 71 -0.008 3.523 -5.853 1.00 0.00 C ATOM 1138 O LEU A 71 -0.933 4.288 -5.726 1.00 0.00 O ATOM 1139 CB LEU A 71 2.182 4.062 -4.839 1.00 0.00 C ATOM 1140 CG LEU A 71 1.785 5.523 -5.054 1.00 0.00 C ATOM 1141 CD1 LEU A 71 1.113 6.061 -3.790 1.00 0.00 C ATOM 1142 CD2 LEU A 71 3.034 6.352 -5.360 1.00 0.00 C ATOM 0 H LEU A 71 2.281 1.580 -4.852 1.00 0.00 H new ATOM 0 HA LEU A 71 0.445 3.446 -3.742 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.803 3.969 -3.948 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.777 3.707 -5.681 1.00 0.00 H new ATOM 0 HG LEU A 71 1.090 5.590 -5.891 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.830 7.102 -3.943 1.00 0.00 H new ATOM 0 HD12 LEU A 71 0.222 5.471 -3.572 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.807 5.993 -2.952 1.00 0.00 H new ATOM 0 HD21 LEU A 71 2.751 7.393 -5.513 1.00 0.00 H new ATOM 0 HD22 LEU A 71 3.730 6.284 -4.523 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.513 5.970 -6.262 1.00 0.00 H new ATOM 1154 N GLN A 72 0.226 2.923 -6.984 1.00 0.00 N ATOM 1155 CA GLN A 72 -0.661 3.168 -8.154 1.00 0.00 C ATOM 1156 C GLN A 72 -2.071 2.731 -7.780 1.00 0.00 C ATOM 1157 O GLN A 72 -3.054 3.322 -8.179 1.00 0.00 O ATOM 1158 CB GLN A 72 -0.124 2.360 -9.359 1.00 0.00 C ATOM 1159 CG GLN A 72 -1.147 1.327 -9.864 1.00 0.00 C ATOM 1160 CD GLN A 72 -2.217 2.020 -10.715 1.00 0.00 C ATOM 1161 OE1 GLN A 72 -3.041 1.363 -11.319 1.00 0.00 O ATOM 1162 NE2 GLN A 72 -2.244 3.324 -10.794 1.00 0.00 N ATOM 0 H GLN A 72 0.994 2.273 -7.150 1.00 0.00 H new ATOM 0 HA GLN A 72 -0.680 4.223 -8.428 1.00 0.00 H new ATOM 0 HB2 GLN A 72 0.131 3.044 -10.169 1.00 0.00 H new ATOM 0 HB3 GLN A 72 0.795 1.849 -9.072 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.642 0.561 -10.453 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.614 0.822 -9.018 1.00 0.00 H new ATOM 0 HE21 GLN A 72 -1.554 3.880 -10.289 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -2.955 3.786 -11.361 1.00 0.00 H new ATOM 1171 N VAL A 73 -2.157 1.685 -7.026 1.00 0.00 N ATOM 1172 CA VAL A 73 -3.470 1.160 -6.609 1.00 0.00 C ATOM 1173 C VAL A 73 -4.057 2.040 -5.501 1.00 0.00 C ATOM 1174 O VAL A 73 -5.256 2.145 -5.351 1.00 0.00 O ATOM 1175 CB VAL A 73 -3.260 -0.260 -6.100 1.00 0.00 C ATOM 1176 CG1 VAL A 73 -4.516 -0.760 -5.389 1.00 0.00 C ATOM 1177 CG2 VAL A 73 -2.918 -1.166 -7.291 1.00 0.00 C ATOM 0 H VAL A 73 -1.356 1.161 -6.674 1.00 0.00 H new ATOM 0 HA VAL A 73 -4.168 1.162 -7.446 1.00 0.00 H new ATOM 0 HB VAL A 73 -2.439 -0.276 -5.383 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -4.351 -1.776 -5.031 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.739 -0.109 -4.544 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -5.355 -0.752 -6.084 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -2.765 -2.186 -6.940 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -3.738 -1.148 -8.009 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -2.008 -0.807 -7.771 1.00 0.00 H new ATOM 1187 N PHE A 74 -3.226 2.666 -4.718 1.00 0.00 N ATOM 1188 CA PHE A 74 -3.753 3.530 -3.618 1.00 0.00 C ATOM 1189 C PHE A 74 -4.227 4.870 -4.192 1.00 0.00 C ATOM 1190 O PHE A 74 -5.210 5.436 -3.753 1.00 0.00 O ATOM 1191 CB PHE A 74 -2.654 3.769 -2.579 1.00 0.00 C ATOM 1192 CG PHE A 74 -2.827 2.791 -1.445 1.00 0.00 C ATOM 1193 CD1 PHE A 74 -3.887 2.945 -0.546 1.00 0.00 C ATOM 1194 CD2 PHE A 74 -1.935 1.722 -1.300 1.00 0.00 C ATOM 1195 CE1 PHE A 74 -4.056 2.030 0.499 1.00 0.00 C ATOM 1196 CE2 PHE A 74 -2.103 0.808 -0.253 1.00 0.00 C ATOM 1197 CZ PHE A 74 -3.164 0.963 0.646 1.00 0.00 C ATOM 0 H PHE A 74 -2.209 2.620 -4.788 1.00 0.00 H new ATOM 0 HA PHE A 74 -4.595 3.030 -3.140 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.672 3.646 -3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -2.706 4.792 -2.205 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -4.575 3.770 -0.658 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -1.118 1.602 -1.996 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -4.876 2.148 1.192 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -1.414 -0.016 -0.139 1.00 0.00 H new ATOM 0 HZ PHE A 74 -3.294 0.258 1.454 1.00 0.00 H new ATOM 1207 N ARG A 75 -3.547 5.370 -5.183 1.00 0.00 N ATOM 1208 CA ARG A 75 -3.951 6.653 -5.802 1.00 0.00 C ATOM 1209 C ARG A 75 -5.092 6.368 -6.759 1.00 0.00 C ATOM 1210 O ARG A 75 -5.993 7.160 -6.929 1.00 0.00 O ATOM 1211 CB ARG A 75 -2.780 7.235 -6.580 1.00 0.00 C ATOM 1212 CG ARG A 75 -1.846 7.986 -5.629 1.00 0.00 C ATOM 1213 CD ARG A 75 -0.608 8.454 -6.396 1.00 0.00 C ATOM 1214 NE ARG A 75 -0.653 9.936 -6.556 1.00 0.00 N ATOM 1215 CZ ARG A 75 0.419 10.587 -6.916 1.00 0.00 C ATOM 1216 NH1 ARG A 75 1.589 10.218 -6.469 1.00 0.00 N ATOM 1217 NH2 ARG A 75 0.322 11.609 -7.722 1.00 0.00 N ATOM 0 H ARG A 75 -2.719 4.937 -5.593 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.258 7.364 -5.035 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -2.235 6.437 -7.085 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.146 7.910 -7.354 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -2.363 8.842 -5.194 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -1.552 7.338 -4.803 1.00 0.00 H new ATOM 0 HD2 ARG A 75 0.296 8.163 -5.861 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -0.569 7.973 -7.373 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.522 10.441 -6.384 1.00 0.00 H new ATOM 0 HH11 ARG A 75 1.665 9.420 -5.838 1.00 0.00 H new ATOM 0 HH12 ARG A 75 2.427 10.727 -6.751 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -0.592 11.899 -8.070 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.160 12.118 -8.003 1.00 0.00 H new ATOM 1231 N GLU A 76 -5.056 5.220 -7.369 1.00 0.00 N ATOM 1232 CA GLU A 76 -6.138 4.828 -8.301 1.00 0.00 C ATOM 1233 C GLU A 76 -7.406 4.675 -7.472 1.00 0.00 C ATOM 1234 O GLU A 76 -8.450 5.193 -7.808 1.00 0.00 O ATOM 1235 CB GLU A 76 -5.773 3.494 -8.940 1.00 0.00 C ATOM 1236 CG GLU A 76 -5.007 3.724 -10.242 1.00 0.00 C ATOM 1237 CD GLU A 76 -5.910 4.440 -11.249 1.00 0.00 C ATOM 1238 OE1 GLU A 76 -6.738 3.775 -11.850 1.00 0.00 O ATOM 1239 OE2 GLU A 76 -5.758 5.641 -11.401 1.00 0.00 O ATOM 0 H GLU A 76 -4.313 4.530 -7.258 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.281 5.569 -9.087 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.166 2.907 -8.251 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -6.677 2.918 -9.138 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -4.115 4.320 -10.050 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -4.672 2.771 -10.652 1.00 0.00 H new ATOM 1246 N ALA A 77 -7.304 3.990 -6.360 1.00 0.00 N ATOM 1247 CA ALA A 77 -8.478 3.835 -5.478 1.00 0.00 C ATOM 1248 C ALA A 77 -8.843 5.234 -5.005 1.00 0.00 C ATOM 1249 O ALA A 77 -9.999 5.589 -4.891 1.00 0.00 O ATOM 1250 CB ALA A 77 -8.133 2.945 -4.278 1.00 0.00 C ATOM 0 H ALA A 77 -6.452 3.534 -6.033 1.00 0.00 H new ATOM 0 HA ALA A 77 -9.307 3.363 -6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -9.009 2.841 -3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.823 1.962 -4.632 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.321 3.399 -3.710 1.00 0.00 H new ATOM 1256 N LYS A 78 -7.852 6.055 -4.775 1.00 0.00 N ATOM 1257 CA LYS A 78 -8.140 7.451 -4.368 1.00 0.00 C ATOM 1258 C LYS A 78 -8.955 8.081 -5.490 1.00 0.00 C ATOM 1259 O LYS A 78 -9.808 8.920 -5.281 1.00 0.00 O ATOM 1260 CB LYS A 78 -6.827 8.210 -4.233 1.00 0.00 C ATOM 1261 CG LYS A 78 -6.851 9.070 -2.967 1.00 0.00 C ATOM 1262 CD LYS A 78 -8.005 10.071 -3.049 1.00 0.00 C ATOM 1263 CE LYS A 78 -7.560 11.302 -3.840 1.00 0.00 C ATOM 1264 NZ LYS A 78 -7.531 12.489 -2.939 1.00 0.00 N ATOM 0 H LYS A 78 -6.863 5.816 -4.852 1.00 0.00 H new ATOM 0 HA LYS A 78 -8.676 7.481 -3.420 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -5.994 7.508 -4.191 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -6.669 8.840 -5.108 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -6.967 8.437 -2.087 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -5.904 9.599 -2.856 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.867 9.609 -3.530 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -8.318 10.364 -2.047 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -6.572 11.134 -4.269 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -8.243 11.480 -4.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -7.228 13.326 -3.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -8.481 12.653 -2.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -6.863 12.318 -2.161 1.00 0.00 H new ATOM 1278 N ALA A 79 -8.676 7.655 -6.688 1.00 0.00 N ATOM 1279 CA ALA A 79 -9.387 8.173 -7.875 1.00 0.00 C ATOM 1280 C ALA A 79 -10.813 7.629 -7.876 1.00 0.00 C ATOM 1281 O ALA A 79 -11.748 8.282 -8.295 1.00 0.00 O ATOM 1282 CB ALA A 79 -8.653 7.685 -9.122 1.00 0.00 C ATOM 0 H ALA A 79 -7.966 6.952 -6.893 1.00 0.00 H new ATOM 0 HA ALA A 79 -9.416 9.263 -7.860 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -9.161 8.056 -10.012 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -7.628 8.055 -9.109 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -8.645 6.595 -9.136 1.00 0.00 H new ATOM 1288 N GLU A 80 -10.974 6.428 -7.401 1.00 0.00 N ATOM 1289 CA GLU A 80 -12.315 5.798 -7.350 1.00 0.00 C ATOM 1290 C GLU A 80 -13.277 6.686 -6.556 1.00 0.00 C ATOM 1291 O GLU A 80 -14.478 6.510 -6.598 1.00 0.00 O ATOM 1292 CB GLU A 80 -12.185 4.435 -6.664 1.00 0.00 C ATOM 1293 CG GLU A 80 -11.833 3.374 -7.704 1.00 0.00 C ATOM 1294 CD GLU A 80 -13.046 3.115 -8.600 1.00 0.00 C ATOM 1295 OE1 GLU A 80 -13.918 3.967 -8.645 1.00 0.00 O ATOM 1296 OE2 GLU A 80 -13.082 2.068 -9.225 1.00 0.00 O ATOM 0 H GLU A 80 -10.217 5.848 -7.040 1.00 0.00 H new ATOM 0 HA GLU A 80 -12.706 5.674 -8.360 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -11.414 4.475 -5.894 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -13.119 4.176 -6.166 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -10.987 3.706 -8.306 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -11.529 2.451 -7.209 1.00 0.00 H new ATOM 1303 N GLY A 81 -12.756 7.630 -5.821 1.00 0.00 N ATOM 1304 CA GLY A 81 -13.634 8.519 -5.013 1.00 0.00 C ATOM 1305 C GLY A 81 -13.440 8.189 -3.533 1.00 0.00 C ATOM 1306 O GLY A 81 -14.122 8.709 -2.672 1.00 0.00 O ATOM 0 H GLY A 81 -11.757 7.823 -5.746 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -13.389 9.564 -5.202 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -14.677 8.379 -5.297 1.00 0.00 H new ATOM 1310 N CYS A 82 -12.510 7.321 -3.235 1.00 0.00 N ATOM 1311 CA CYS A 82 -12.260 6.943 -1.821 1.00 0.00 C ATOM 1312 C CYS A 82 -11.532 8.082 -1.106 1.00 0.00 C ATOM 1313 O CYS A 82 -11.007 8.983 -1.730 1.00 0.00 O ATOM 1314 CB CYS A 82 -11.390 5.690 -1.796 1.00 0.00 C ATOM 1315 SG CYS A 82 -12.434 4.222 -1.978 1.00 0.00 S ATOM 0 H CYS A 82 -11.911 6.857 -3.918 1.00 0.00 H new ATOM 0 HA CYS A 82 -13.207 6.751 -1.316 1.00 0.00 H new ATOM 0 HB2 CYS A 82 -10.656 5.729 -2.601 1.00 0.00 H new ATOM 0 HB3 CYS A 82 -10.834 5.640 -0.860 1.00 0.00 H new ATOM 0 HG CYS A 82 -12.206 3.403 -0.995 1.00 0.00 H new ATOM 1321 N ASP A 83 -11.494 8.051 0.198 1.00 0.00 N ATOM 1322 CA ASP A 83 -10.800 9.131 0.947 1.00 0.00 C ATOM 1323 C ASP A 83 -9.491 8.592 1.534 1.00 0.00 C ATOM 1324 O ASP A 83 -9.289 8.586 2.733 1.00 0.00 O ATOM 1325 CB ASP A 83 -11.708 9.629 2.070 1.00 0.00 C ATOM 1326 CG ASP A 83 -11.216 10.992 2.560 1.00 0.00 C ATOM 1327 OD1 ASP A 83 -10.251 11.019 3.306 1.00 0.00 O ATOM 1328 OD2 ASP A 83 -11.813 11.986 2.180 1.00 0.00 O ATOM 0 H ASP A 83 -11.915 7.323 0.776 1.00 0.00 H new ATOM 0 HA ASP A 83 -10.573 9.957 0.273 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -12.735 9.708 1.713 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -11.711 8.914 2.893 1.00 0.00 H new ATOM 1333 N ILE A 84 -8.598 8.152 0.691 1.00 0.00 N ATOM 1334 CA ILE A 84 -7.290 7.624 1.178 1.00 0.00 C ATOM 1335 C ILE A 84 -6.299 8.793 1.247 1.00 0.00 C ATOM 1336 O ILE A 84 -6.422 9.758 0.518 1.00 0.00 O ATOM 1337 CB ILE A 84 -6.785 6.571 0.190 1.00 0.00 C ATOM 1338 CG1 ILE A 84 -7.594 5.293 0.361 1.00 0.00 C ATOM 1339 CG2 ILE A 84 -5.310 6.264 0.444 1.00 0.00 C ATOM 1340 CD1 ILE A 84 -8.076 4.829 -1.007 1.00 0.00 C ATOM 0 H ILE A 84 -8.718 8.135 -0.322 1.00 0.00 H new ATOM 0 HA ILE A 84 -7.396 7.170 2.163 1.00 0.00 H new ATOM 0 HB ILE A 84 -6.899 6.957 -0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.984 4.520 0.828 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.444 5.470 1.020 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.967 5.513 -0.268 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -4.723 7.174 0.322 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -5.187 5.885 1.459 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.657 3.913 -0.897 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -8.699 5.603 -1.455 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -7.217 4.638 -1.650 1.00 0.00 H new ATOM 1352 N THR A 85 -5.328 8.732 2.116 1.00 0.00 N ATOM 1353 CA THR A 85 -4.355 9.861 2.214 1.00 0.00 C ATOM 1354 C THR A 85 -2.993 9.434 1.661 1.00 0.00 C ATOM 1355 O THR A 85 -2.141 8.964 2.383 1.00 0.00 O ATOM 1356 CB THR A 85 -4.198 10.271 3.681 1.00 0.00 C ATOM 1357 OG1 THR A 85 -5.483 10.450 4.261 1.00 0.00 O ATOM 1358 CG2 THR A 85 -3.411 11.579 3.766 1.00 0.00 C ATOM 0 H THR A 85 -5.165 7.957 2.759 1.00 0.00 H new ATOM 0 HA THR A 85 -4.729 10.703 1.631 1.00 0.00 H new ATOM 0 HB THR A 85 -3.661 9.491 4.221 1.00 0.00 H new ATOM 0 HG1 THR A 85 -5.916 9.578 4.372 1.00 0.00 H new ATOM 0 HG21 THR A 85 -3.300 11.870 4.811 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.426 11.440 3.321 1.00 0.00 H new ATOM 0 HG23 THR A 85 -3.946 12.361 3.227 1.00 0.00 H new ATOM 1366 N ILE A 86 -2.772 9.601 0.386 1.00 0.00 N ATOM 1367 CA ILE A 86 -1.457 9.203 -0.193 1.00 0.00 C ATOM 1368 C ILE A 86 -0.361 10.129 0.336 1.00 0.00 C ATOM 1369 O ILE A 86 -0.011 11.113 -0.286 1.00 0.00 O ATOM 1370 CB ILE A 86 -1.513 9.297 -1.718 1.00 0.00 C ATOM 1371 CG1 ILE A 86 -2.756 8.565 -2.227 1.00 0.00 C ATOM 1372 CG2 ILE A 86 -0.262 8.649 -2.315 1.00 0.00 C ATOM 1373 CD1 ILE A 86 -2.644 7.075 -1.896 1.00 0.00 C ATOM 0 H ILE A 86 -3.441 9.993 -0.277 1.00 0.00 H new ATOM 0 HA ILE A 86 -1.235 8.176 0.096 1.00 0.00 H new ATOM 0 HB ILE A 86 -1.558 10.344 -2.016 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -3.651 8.984 -1.767 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.856 8.702 -3.304 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -0.301 8.716 -3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.625 9.168 -1.951 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.217 7.601 -2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -3.530 6.554 -2.259 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.757 6.661 -2.376 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -2.565 6.947 -0.816 1.00 0.00 H new ATOM 1385 N ILE A 87 0.190 9.815 1.475 1.00 0.00 N ATOM 1386 CA ILE A 87 1.271 10.666 2.042 1.00 0.00 C ATOM 1387 C ILE A 87 2.621 10.100 1.596 1.00 0.00 C ATOM 1388 O ILE A 87 3.150 9.181 2.192 1.00 0.00 O ATOM 1389 CB ILE A 87 1.170 10.663 3.572 1.00 0.00 C ATOM 1390 CG1 ILE A 87 0.091 11.656 4.010 1.00 0.00 C ATOM 1391 CG2 ILE A 87 2.511 11.069 4.192 1.00 0.00 C ATOM 1392 CD1 ILE A 87 -0.354 11.330 5.437 1.00 0.00 C ATOM 0 H ILE A 87 -0.063 9.003 2.039 1.00 0.00 H new ATOM 0 HA ILE A 87 1.173 11.692 1.688 1.00 0.00 H new ATOM 0 HB ILE A 87 0.911 9.659 3.909 1.00 0.00 H new ATOM 0 HG12 ILE A 87 0.478 12.674 3.962 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -0.761 11.606 3.332 1.00 0.00 H new ATOM 0 HG21 ILE A 87 2.426 11.063 5.279 1.00 0.00 H new ATOM 0 HG22 ILE A 87 3.283 10.363 3.884 1.00 0.00 H new ATOM 0 HG23 ILE A 87 2.780 12.070 3.855 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -1.122 12.037 5.749 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.757 10.318 5.470 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.500 11.402 6.110 1.00 0.00 H new ATOM 1404 N LEU A 88 3.172 10.636 0.542 1.00 0.00 N ATOM 1405 CA LEU A 88 4.478 10.131 0.037 1.00 0.00 C ATOM 1406 C LEU A 88 5.623 10.890 0.709 1.00 0.00 C ATOM 1407 O LEU A 88 6.272 11.720 0.102 1.00 0.00 O ATOM 1408 CB LEU A 88 4.537 10.337 -1.475 1.00 0.00 C ATOM 1409 CG LEU A 88 3.271 9.767 -2.136 1.00 0.00 C ATOM 1410 CD1 LEU A 88 3.631 9.247 -3.520 1.00 0.00 C ATOM 1411 CD2 LEU A 88 2.697 8.606 -1.311 1.00 0.00 C ATOM 0 H LEU A 88 2.771 11.406 0.007 1.00 0.00 H new ATOM 0 HA LEU A 88 4.576 9.070 0.268 1.00 0.00 H new ATOM 0 HB2 LEU A 88 4.628 11.399 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.421 9.847 -1.882 1.00 0.00 H new ATOM 0 HG LEU A 88 2.524 10.558 -2.199 1.00 0.00 H new ATOM 0 HD11 LEU A 88 2.740 8.840 -3.999 1.00 0.00 H new ATOM 0 HD12 LEU A 88 4.027 10.064 -4.124 1.00 0.00 H new ATOM 0 HD13 LEU A 88 4.384 8.464 -3.430 1.00 0.00 H new ATOM 0 HD21 LEU A 88 1.802 8.220 -1.799 1.00 0.00 H new ATOM 0 HD22 LEU A 88 3.440 7.812 -1.235 1.00 0.00 H new ATOM 0 HD23 LEU A 88 2.441 8.961 -0.313 1.00 0.00 H new ATOM 1423 N SER A 89 5.878 10.614 1.959 1.00 0.00 N ATOM 1424 CA SER A 89 6.981 11.322 2.669 1.00 0.00 C ATOM 1425 C SER A 89 8.245 10.460 2.633 1.00 0.00 C ATOM 1426 O SER A 89 8.207 9.412 2.010 1.00 0.00 O ATOM 1427 CB SER A 89 6.575 11.571 4.122 1.00 0.00 C ATOM 1428 OG SER A 89 6.689 12.958 4.410 1.00 0.00 O ATOM 1429 OXT SER A 89 9.230 10.864 3.229 1.00 0.00 O ATOM 0 H SER A 89 5.370 9.929 2.519 1.00 0.00 H new ATOM 0 HA SER A 89 7.177 12.275 2.178 1.00 0.00 H new ATOM 0 HB2 SER A 89 5.551 11.236 4.288 1.00 0.00 H new ATOM 0 HB3 SER A 89 7.212 10.995 4.793 1.00 0.00 H new ATOM 0 HG SER A 89 6.428 13.121 5.340 1.00 0.00 H new