USER MOD reduce.3.24.130724 H: found=0, std=0, add=634, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 634 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 18 THR OG1 : rot -4:sc= 0.422 USER MOD Set 1.2: A 21 THR OG1 : rot -160:sc= 1.17 USER MOD Single : A 0 GLY N :NH3+ -176:sc= 2.23 (180deg=2.04) USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0854 (180deg=-0.416) USER MOD Single : A 6 TYR OH : rot -122:sc= 0.617 USER MOD Single : A 8 CYS SG : rot -11:sc= 1.19 USER MOD Single : A 17 THR OG1 : rot 11:sc= 0.773 USER MOD Single : A 20 GLN :FLIP amide:sc= 0 F(o=-0.76,f=0) USER MOD Single : A 27 SER OG : rot 177:sc= -0.368! USER MOD Single : A 28 GLN : amide:sc= 0.837 K(o=0.84,f=0) USER MOD Single : A 35 SER OG : rot 42:sc= 0.335 USER MOD Single : A 36 LYS NZ :NH3+ 162:sc= 0.184 (180deg=-0.743!) USER MOD Single : A 39 ASN : amide:sc= 0.0637 X(o=0.064,f=-0.077) USER MOD Single : A 43 THR OG1 : rot -43:sc= -1.04 USER MOD Single : A 46 SER OG : rot 180:sc= 0.00919 USER MOD Single : A 53 THR OG1 : rot 101:sc= -0.112! USER MOD Single : A 55 LYS NZ :NH3+ 139:sc= 2.15 (180deg=-0.356) USER MOD Single : A 58 LYS NZ :NH3+ -175:sc=-0.00247! (180deg=-0.469!) USER MOD Single : A 60 MET CE :methyl 159:sc= -0.364 (180deg=-1.1) USER MOD Single : A 67 MET CE :methyl -147:sc= -0.569 (180deg=-2.04) USER MOD Single : A 68 ASN : amide:sc= 1.03 K(o=1,f=-0.08) USER MOD Single : A 70 GLN : amide:sc= -0.164 K(o=-0.16,f=-1.1) USER MOD Single : A 76 ASN : amide:sc= 1.01 K(o=1,f=0) USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 ASN : amide:sc= -0.168 X(o=-0.17,f=0.029) USER MOD Single : A 83 GLN : amide:sc= 1.01 K(o=1,f=-1.3) USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 0 16.839 3.940 -1.969 1.00 0.00 N ATOM 2 CA GLY A 0 16.459 5.047 -1.076 1.00 0.00 C ATOM 3 C GLY A 0 17.265 5.025 0.203 1.00 0.00 C ATOM 4 O GLY A 0 17.758 6.054 0.640 1.00 0.00 O ATOM 0 H1 GLY A 0 16.317 4.022 -2.865 1.00 0.00 H new ATOM 0 H2 GLY A 0 17.861 3.982 -2.158 1.00 0.00 H new ATOM 0 H3 GLY A 0 16.608 3.033 -1.516 1.00 0.00 H new ATOM 0 HA2 GLY A 0 16.611 5.998 -1.587 1.00 0.00 H new ATOM 0 HA3 GLY A 0 15.397 4.978 -0.840 1.00 0.00 H new ATOM 10 N MET A 1 17.399 3.835 0.786 1.00 0.00 N ATOM 11 CA MET A 1 18.167 3.573 2.009 1.00 0.00 C ATOM 12 C MET A 1 17.473 4.082 3.258 1.00 0.00 C ATOM 13 O MET A 1 16.952 3.289 4.036 1.00 0.00 O ATOM 14 CB MET A 1 19.630 4.058 1.930 1.00 0.00 C ATOM 15 CG MET A 1 20.465 3.335 0.883 1.00 0.00 C ATOM 16 SD MET A 1 22.153 3.960 0.757 1.00 0.00 S ATOM 17 CE MET A 1 22.786 3.613 2.401 1.00 0.00 C ATOM 0 H MET A 1 16.961 2.995 0.409 1.00 0.00 H new ATOM 0 HA MET A 1 18.210 2.487 2.089 1.00 0.00 H new ATOM 0 HB2 MET A 1 19.637 5.126 1.712 1.00 0.00 H new ATOM 0 HB3 MET A 1 20.098 3.929 2.906 1.00 0.00 H new ATOM 0 HG2 MET A 1 20.496 2.272 1.124 1.00 0.00 H new ATOM 0 HG3 MET A 1 19.978 3.428 -0.087 1.00 0.00 H new ATOM 0 HE1 MET A 1 23.874 3.676 2.393 1.00 0.00 H new ATOM 0 HE2 MET A 1 22.386 4.341 3.106 1.00 0.00 H new ATOM 0 HE3 MET A 1 22.483 2.611 2.704 1.00 0.00 H new ATOM 27 N ALA A 2 17.430 5.383 3.443 1.00 0.00 N ATOM 28 CA ALA A 2 16.852 5.924 4.643 1.00 0.00 C ATOM 29 C ALA A 2 16.256 7.293 4.424 1.00 0.00 C ATOM 30 O ALA A 2 16.859 8.144 3.777 1.00 0.00 O ATOM 31 CB ALA A 2 17.891 5.979 5.761 1.00 0.00 C ATOM 0 H ALA A 2 17.785 6.075 2.783 1.00 0.00 H new ATOM 0 HA ALA A 2 16.042 5.256 4.935 1.00 0.00 H new ATOM 0 HB1 ALA A 2 17.435 6.391 6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 2 18.257 4.973 5.967 1.00 0.00 H new ATOM 0 HB3 ALA A 2 18.723 6.612 5.453 1.00 0.00 H new ATOM 37 N GLU A 3 15.029 7.433 4.902 1.00 0.00 N ATOM 38 CA GLU A 3 14.273 8.697 5.017 1.00 0.00 C ATOM 39 C GLU A 3 13.807 9.215 3.679 1.00 0.00 C ATOM 40 O GLU A 3 13.340 10.346 3.540 1.00 0.00 O ATOM 41 CB GLU A 3 15.040 9.756 5.835 1.00 0.00 C ATOM 42 CG GLU A 3 15.553 9.232 7.186 1.00 0.00 C ATOM 43 CD GLU A 3 14.500 8.472 7.978 1.00 0.00 C ATOM 44 OE1 GLU A 3 14.305 7.259 7.704 1.00 0.00 O ATOM 45 OE2 GLU A 3 13.898 9.042 8.880 1.00 0.00 O1- ATOM 0 H GLU A 3 14.495 6.633 5.241 1.00 0.00 H new ATOM 0 HA GLU A 3 13.367 8.471 5.579 1.00 0.00 H new ATOM 0 HB2 GLU A 3 15.886 10.115 5.248 1.00 0.00 H new ATOM 0 HB3 GLU A 3 14.388 10.612 6.010 1.00 0.00 H new ATOM 0 HG2 GLU A 3 16.408 8.579 7.013 1.00 0.00 H new ATOM 0 HG3 GLU A 3 15.909 10.072 7.782 1.00 0.00 H new ATOM 52 N VAL A 4 13.894 8.363 2.716 1.00 0.00 N ATOM 53 CA VAL A 4 13.428 8.635 1.407 1.00 0.00 C ATOM 54 C VAL A 4 12.141 7.886 1.246 1.00 0.00 C ATOM 55 O VAL A 4 12.132 6.651 1.182 1.00 0.00 O ATOM 56 CB VAL A 4 14.438 8.172 0.362 1.00 0.00 C ATOM 57 CG1 VAL A 4 13.930 8.443 -1.052 1.00 0.00 C ATOM 58 CG2 VAL A 4 15.764 8.859 0.580 1.00 0.00 C ATOM 0 H VAL A 4 14.303 7.435 2.824 1.00 0.00 H new ATOM 0 HA VAL A 4 13.286 9.706 1.265 1.00 0.00 H new ATOM 0 HB VAL A 4 14.572 7.096 0.473 1.00 0.00 H new ATOM 0 HG11 VAL A 4 14.670 8.103 -1.776 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.994 7.908 -1.211 1.00 0.00 H new ATOM 0 HG13 VAL A 4 13.762 9.512 -1.180 1.00 0.00 H new ATOM 0 HG21 VAL A 4 16.477 8.521 -0.172 1.00 0.00 H new ATOM 0 HG22 VAL A 4 15.633 9.938 0.496 1.00 0.00 H new ATOM 0 HG23 VAL A 4 16.141 8.615 1.573 1.00 0.00 H new ATOM 68 N GLU A 5 11.077 8.612 1.235 1.00 0.00 N ATOM 69 CA GLU A 5 9.773 8.024 1.199 1.00 0.00 C ATOM 70 C GLU A 5 9.437 7.392 -0.141 1.00 0.00 C ATOM 71 O GLU A 5 9.435 8.052 -1.187 1.00 0.00 O ATOM 72 CB GLU A 5 8.669 8.993 1.637 1.00 0.00 C ATOM 73 CG GLU A 5 8.577 10.299 0.858 1.00 0.00 C ATOM 74 CD GLU A 5 7.216 10.949 1.018 1.00 0.00 C ATOM 75 OE1 GLU A 5 6.474 10.586 1.955 1.00 0.00 O1- ATOM 76 OE2 GLU A 5 6.820 11.749 0.148 1.00 0.00 O ATOM 0 H GLU A 5 11.081 9.632 1.251 1.00 0.00 H new ATOM 0 HA GLU A 5 9.812 7.219 1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.711 8.479 1.560 1.00 0.00 H new ATOM 0 HB3 GLU A 5 8.819 9.231 2.690 1.00 0.00 H new ATOM 0 HG2 GLU A 5 9.351 10.984 1.203 1.00 0.00 H new ATOM 0 HG3 GLU A 5 8.768 10.108 -0.198 1.00 0.00 H new ATOM 83 N TYR A 6 9.187 6.114 -0.113 1.00 0.00 N ATOM 84 CA TYR A 6 8.752 5.430 -1.277 1.00 0.00 C ATOM 85 C TYR A 6 7.359 4.938 -1.120 1.00 0.00 C ATOM 86 O TYR A 6 7.075 4.045 -0.335 1.00 0.00 O ATOM 87 CB TYR A 6 9.700 4.353 -1.704 1.00 0.00 C ATOM 88 CG TYR A 6 10.842 4.895 -2.500 1.00 0.00 C ATOM 89 CD1 TYR A 6 10.657 5.223 -3.832 1.00 0.00 C ATOM 90 CD2 TYR A 6 12.095 5.064 -1.948 1.00 0.00 C ATOM 91 CE1 TYR A 6 11.699 5.702 -4.599 1.00 0.00 C ATOM 92 CE2 TYR A 6 13.144 5.533 -2.708 1.00 0.00 C ATOM 93 CZ TYR A 6 12.944 5.846 -4.031 1.00 0.00 C ATOM 94 OH TYR A 6 13.994 6.292 -4.790 1.00 0.00 O ATOM 0 H TYR A 6 9.281 5.528 0.716 1.00 0.00 H new ATOM 0 HA TYR A 6 8.749 6.153 -2.093 1.00 0.00 H new ATOM 0 HB2 TYR A 6 10.084 3.838 -0.823 1.00 0.00 H new ATOM 0 HB3 TYR A 6 9.164 3.613 -2.297 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.681 5.102 -4.278 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.256 4.826 -0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.539 5.961 -5.635 1.00 0.00 H new ATOM 0 HE2 TYR A 6 14.121 5.654 -2.265 1.00 0.00 H new ATOM 0 HH TYR A 6 14.711 5.624 -4.781 1.00 0.00 H new ATOM 104 N ARG A 7 6.498 5.538 -1.860 1.00 0.00 N ATOM 105 CA ARG A 7 5.101 5.292 -1.773 1.00 0.00 C ATOM 106 C ARG A 7 4.676 4.278 -2.824 1.00 0.00 C ATOM 107 O ARG A 7 5.059 4.377 -3.989 1.00 0.00 O ATOM 108 CB ARG A 7 4.401 6.611 -1.978 1.00 0.00 C ATOM 109 CG ARG A 7 2.900 6.621 -1.700 1.00 0.00 C ATOM 110 CD ARG A 7 2.564 7.676 -0.642 1.00 0.00 C ATOM 111 NE ARG A 7 3.103 9.003 -1.007 1.00 0.00 N ATOM 112 CZ ARG A 7 4.036 9.684 -0.289 1.00 0.00 C ATOM 113 NH1 ARG A 7 4.441 9.238 0.894 1.00 0.00 N1+ ATOM 114 NH2 ARG A 7 4.543 10.817 -0.768 1.00 0.00 N ATOM 0 H ARG A 7 6.751 6.233 -2.563 1.00 0.00 H new ATOM 0 HA ARG A 7 4.839 4.874 -0.801 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.874 7.355 -1.337 1.00 0.00 H new ATOM 0 HB3 ARG A 7 4.562 6.929 -3.008 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.354 6.831 -2.620 1.00 0.00 H new ATOM 0 HG3 ARG A 7 2.580 5.637 -1.357 1.00 0.00 H new ATOM 0 HD2 ARG A 7 1.482 7.742 -0.524 1.00 0.00 H new ATOM 0 HD3 ARG A 7 2.972 7.369 0.321 1.00 0.00 H new ATOM 0 HE ARG A 7 2.750 9.439 -1.859 1.00 0.00 H new ATOM 0 HH11 ARG A 7 4.052 8.375 1.274 1.00 0.00 H new ATOM 0 HH12 ARG A 7 5.141 9.758 1.423 1.00 0.00 H new ATOM 0 HH21 ARG A 7 4.232 11.173 -1.672 1.00 0.00 H new ATOM 0 HH22 ARG A 7 5.243 11.330 -0.231 1.00 0.00 H new ATOM 128 N CYS A 8 3.913 3.322 -2.408 1.00 0.00 N ATOM 129 CA CYS A 8 3.425 2.280 -3.254 1.00 0.00 C ATOM 130 C CYS A 8 1.914 2.426 -3.392 1.00 0.00 C ATOM 131 O CYS A 8 1.234 2.835 -2.438 1.00 0.00 O ATOM 132 CB CYS A 8 3.766 0.927 -2.625 1.00 0.00 C ATOM 133 SG CYS A 8 3.447 -0.510 -3.659 1.00 0.00 S ATOM 0 H CYS A 8 3.601 3.241 -1.440 1.00 0.00 H new ATOM 0 HA CYS A 8 3.886 2.343 -4.240 1.00 0.00 H new ATOM 0 HB2 CYS A 8 4.821 0.929 -2.351 1.00 0.00 H new ATOM 0 HB3 CYS A 8 3.197 0.822 -1.701 1.00 0.00 H new ATOM 0 HG CYS A 8 2.756 -0.151 -4.700 1.00 0.00 H new ATOM 139 N PHE A 9 1.415 2.130 -4.567 1.00 0.00 N ATOM 140 CA PHE A 9 0.002 2.159 -4.865 1.00 0.00 C ATOM 141 C PHE A 9 -0.547 0.758 -4.717 1.00 0.00 C ATOM 142 O PHE A 9 -0.067 -0.185 -5.379 1.00 0.00 O ATOM 143 CB PHE A 9 -0.218 2.655 -6.316 1.00 0.00 C ATOM 144 CG PHE A 9 -1.654 2.646 -6.804 1.00 0.00 C ATOM 145 CD1 PHE A 9 -2.183 1.529 -7.435 1.00 0.00 C ATOM 146 CD2 PHE A 9 -2.458 3.756 -6.651 1.00 0.00 C ATOM 147 CE1 PHE A 9 -3.482 1.521 -7.895 1.00 0.00 C ATOM 148 CE2 PHE A 9 -3.758 3.757 -7.113 1.00 0.00 C ATOM 149 CZ PHE A 9 -4.272 2.638 -7.736 1.00 0.00 C ATOM 0 H PHE A 9 1.992 1.856 -5.362 1.00 0.00 H new ATOM 0 HA PHE A 9 -0.510 2.836 -4.181 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.167 3.672 -6.395 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.378 2.036 -6.986 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -1.567 0.652 -7.568 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.065 4.636 -6.163 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -3.880 0.641 -8.379 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -4.374 4.635 -6.987 1.00 0.00 H new ATOM 0 HZ PHE A 9 -5.290 2.638 -8.097 1.00 0.00 H new ATOM 159 N VAL A 10 -1.502 0.593 -3.857 1.00 0.00 N ATOM 160 CA VAL A 10 -2.129 -0.679 -3.715 1.00 0.00 C ATOM 161 C VAL A 10 -3.579 -0.513 -4.098 1.00 0.00 C ATOM 162 O VAL A 10 -4.333 0.167 -3.417 1.00 0.00 O ATOM 163 CB VAL A 10 -2.028 -1.224 -2.265 1.00 0.00 C ATOM 164 CG1 VAL A 10 -2.565 -2.645 -2.189 1.00 0.00 C ATOM 165 CG2 VAL A 10 -0.592 -1.163 -1.755 1.00 0.00 C ATOM 0 H VAL A 10 -1.863 1.324 -3.244 1.00 0.00 H new ATOM 0 HA VAL A 10 -1.624 -1.400 -4.358 1.00 0.00 H new ATOM 0 HB VAL A 10 -2.639 -0.590 -1.623 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -2.486 -3.010 -1.165 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.610 -2.656 -2.498 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -1.984 -3.289 -2.849 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -0.551 -1.551 -0.737 1.00 0.00 H new ATOM 0 HG22 VAL A 10 0.049 -1.765 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -0.246 -0.129 -1.764 1.00 0.00 H new ATOM 175 N GLY A 11 -3.954 -1.126 -5.169 1.00 0.00 N ATOM 176 CA GLY A 11 -5.288 -1.027 -5.655 1.00 0.00 C ATOM 177 C GLY A 11 -5.955 -2.356 -5.675 1.00 0.00 C ATOM 178 O GLY A 11 -5.297 -3.380 -5.874 1.00 0.00 O ATOM 0 H GLY A 11 -3.341 -1.713 -5.735 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -5.857 -0.342 -5.026 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.281 -0.606 -6.660 1.00 0.00 H new ATOM 182 N GLY A 12 -7.235 -2.359 -5.460 1.00 0.00 N ATOM 183 CA GLY A 12 -7.958 -3.583 -5.449 1.00 0.00 C ATOM 184 C GLY A 12 -7.957 -4.164 -4.076 1.00 0.00 C ATOM 185 O GLY A 12 -7.487 -5.262 -3.871 1.00 0.00 O ATOM 0 H GLY A 12 -7.796 -1.524 -5.290 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -8.983 -3.413 -5.780 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.509 -4.286 -6.151 1.00 0.00 H new ATOM 189 N LEU A 13 -8.442 -3.392 -3.143 1.00 0.00 N ATOM 190 CA LEU A 13 -8.550 -3.794 -1.757 1.00 0.00 C ATOM 191 C LEU A 13 -9.980 -4.204 -1.468 1.00 0.00 C ATOM 192 O LEU A 13 -10.852 -4.083 -2.345 1.00 0.00 O ATOM 193 CB LEU A 13 -8.135 -2.643 -0.840 1.00 0.00 C ATOM 194 CG LEU A 13 -6.687 -2.163 -0.974 1.00 0.00 C ATOM 195 CD1 LEU A 13 -6.443 -0.981 -0.077 1.00 0.00 C ATOM 196 CD2 LEU A 13 -5.720 -3.278 -0.631 1.00 0.00 C ATOM 0 H LEU A 13 -8.781 -2.447 -3.322 1.00 0.00 H new ATOM 0 HA LEU A 13 -7.886 -4.638 -1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -8.796 -1.797 -1.031 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.300 -2.950 0.193 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.522 -1.864 -2.009 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -5.410 -0.651 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.114 -0.168 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -6.628 -1.266 0.959 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.697 -2.916 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.890 -3.604 0.395 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -5.877 -4.117 -1.309 1.00 0.00 H new ATOM 208 N ALA A 14 -10.230 -4.683 -0.277 1.00 0.00 N ATOM 209 CA ALA A 14 -11.544 -5.120 0.088 1.00 0.00 C ATOM 210 C ALA A 14 -12.218 -4.116 1.022 1.00 0.00 C ATOM 211 O ALA A 14 -11.671 -3.035 1.296 1.00 0.00 O ATOM 212 CB ALA A 14 -11.486 -6.511 0.675 1.00 0.00 C ATOM 0 H ALA A 14 -9.531 -4.779 0.460 1.00 0.00 H new ATOM 0 HA ALA A 14 -12.163 -5.170 -0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -12.491 -6.833 0.949 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.073 -7.200 -0.062 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -10.853 -6.505 1.562 1.00 0.00 H new ATOM 218 N TRP A 15 -13.399 -4.456 1.487 1.00 0.00 N ATOM 219 CA TRP A 15 -14.210 -3.542 2.275 1.00 0.00 C ATOM 220 C TRP A 15 -13.786 -3.429 3.730 1.00 0.00 C ATOM 221 O TRP A 15 -14.069 -2.423 4.374 1.00 0.00 O ATOM 222 CB TRP A 15 -15.701 -3.877 2.169 1.00 0.00 C ATOM 223 CG TRP A 15 -16.244 -3.751 0.776 1.00 0.00 C ATOM 224 CD1 TRP A 15 -16.731 -4.753 -0.011 1.00 0.00 C ATOM 225 CD2 TRP A 15 -16.328 -2.549 -0.007 1.00 0.00 C ATOM 226 NE1 TRP A 15 -17.131 -4.245 -1.226 1.00 0.00 N ATOM 227 CE2 TRP A 15 -16.890 -2.898 -1.248 1.00 0.00 C ATOM 228 CE3 TRP A 15 -15.988 -1.215 0.227 1.00 0.00 C ATOM 229 CZ2 TRP A 15 -17.119 -1.961 -2.252 1.00 0.00 C ATOM 230 CZ3 TRP A 15 -16.212 -0.288 -0.767 1.00 0.00 C ATOM 231 CH2 TRP A 15 -16.774 -0.663 -1.994 1.00 0.00 C ATOM 0 H TRP A 15 -13.827 -5.369 1.333 1.00 0.00 H new ATOM 0 HA TRP A 15 -14.036 -2.560 1.835 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -15.863 -4.895 2.523 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -16.262 -3.217 2.830 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -16.794 -5.792 0.277 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -17.541 -4.786 -1.988 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -15.557 -0.915 1.171 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -17.553 -2.248 -3.199 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -15.950 0.746 -0.597 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -16.938 0.088 -2.752 1.00 0.00 H new ATOM 242 N ALA A 16 -13.107 -4.429 4.250 1.00 0.00 N ATOM 243 CA ALA A 16 -12.725 -4.403 5.656 1.00 0.00 C ATOM 244 C ALA A 16 -11.263 -4.030 5.792 1.00 0.00 C ATOM 245 O ALA A 16 -10.712 -3.922 6.908 1.00 0.00 O ATOM 246 CB ALA A 16 -13.024 -5.738 6.324 1.00 0.00 C ATOM 0 H ALA A 16 -12.810 -5.258 3.736 1.00 0.00 H new ATOM 0 HA ALA A 16 -13.318 -3.644 6.167 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -12.730 -5.694 7.373 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -14.091 -5.949 6.255 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -12.465 -6.529 5.824 1.00 0.00 H new ATOM 252 N THR A 17 -10.644 -3.805 4.656 1.00 0.00 N ATOM 253 CA THR A 17 -9.282 -3.441 4.603 1.00 0.00 C ATOM 254 C THR A 17 -9.118 -2.023 5.167 1.00 0.00 C ATOM 255 O THR A 17 -9.663 -1.054 4.630 1.00 0.00 O ATOM 256 CB THR A 17 -8.788 -3.478 3.145 1.00 0.00 C ATOM 257 OG1 THR A 17 -9.145 -4.738 2.536 1.00 0.00 O ATOM 258 CG2 THR A 17 -7.275 -3.312 3.093 1.00 0.00 C ATOM 0 H THR A 17 -11.093 -3.875 3.743 1.00 0.00 H new ATOM 0 HA THR A 17 -8.694 -4.142 5.195 1.00 0.00 H new ATOM 0 HB THR A 17 -9.259 -2.659 2.601 1.00 0.00 H new ATOM 0 HG1 THR A 17 -9.773 -5.216 3.117 1.00 0.00 H new ATOM 0 HG21 THR A 17 -6.941 -3.340 2.056 1.00 0.00 H new ATOM 0 HG22 THR A 17 -6.998 -2.356 3.537 1.00 0.00 H new ATOM 0 HG23 THR A 17 -6.801 -4.121 3.649 1.00 0.00 H new ATOM 266 N THR A 18 -8.382 -1.921 6.236 1.00 0.00 N ATOM 267 CA THR A 18 -8.121 -0.670 6.874 1.00 0.00 C ATOM 268 C THR A 18 -6.683 -0.410 6.851 1.00 0.00 C ATOM 269 O THR A 18 -5.886 -1.243 6.377 1.00 0.00 O ATOM 270 CB THR A 18 -8.664 -0.634 8.324 1.00 0.00 C ATOM 271 OG1 THR A 18 -8.188 -1.774 9.048 1.00 0.00 O ATOM 272 CG2 THR A 18 -10.186 -0.606 8.345 1.00 0.00 C ATOM 0 H THR A 18 -7.941 -2.719 6.693 1.00 0.00 H new ATOM 0 HA THR A 18 -8.644 0.113 6.324 1.00 0.00 H new ATOM 0 HB THR A 18 -8.303 0.278 8.799 1.00 0.00 H new ATOM 0 HG1 THR A 18 -7.672 -2.351 8.447 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.535 -0.581 9.377 1.00 0.00 H new ATOM 0 HG22 THR A 18 -10.541 0.281 7.820 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.573 -1.498 7.852 1.00 0.00 H new ATOM 280 N ASP A 19 -6.344 0.727 7.341 1.00 0.00 N ATOM 281 CA ASP A 19 -5.010 1.202 7.343 1.00 0.00 C ATOM 282 C ASP A 19 -4.118 0.284 8.162 1.00 0.00 C ATOM 283 O ASP A 19 -2.946 0.112 7.861 1.00 0.00 O ATOM 284 CB ASP A 19 -4.972 2.600 7.900 1.00 0.00 C ATOM 285 CG ASP A 19 -5.996 3.534 7.293 1.00 0.00 C ATOM 286 OD1 ASP A 19 -5.870 3.913 6.125 1.00 0.00 O ATOM 287 OD2 ASP A 19 -6.935 3.937 7.984 1.00 0.00 O1- ATOM 0 H ASP A 19 -7.010 1.373 7.765 1.00 0.00 H new ATOM 0 HA ASP A 19 -4.638 1.214 6.319 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.131 2.555 8.977 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -3.977 3.016 7.741 1.00 0.00 H new ATOM 292 N GLN A 20 -4.712 -0.360 9.160 1.00 0.00 N ATOM 293 CA GLN A 20 -3.998 -1.288 10.005 1.00 0.00 C ATOM 294 C GLN A 20 -3.671 -2.544 9.205 1.00 0.00 C ATOM 295 O GLN A 20 -2.545 -3.025 9.220 1.00 0.00 O ATOM 296 CB GLN A 20 -4.840 -1.641 11.236 1.00 0.00 C ATOM 297 CG GLN A 20 -4.172 -2.627 12.193 1.00 0.00 C ATOM 298 CD GLN A 20 -5.050 -3.002 13.378 1.00 0.00 C ATOM 299 OE1 GLN A 20 -5.883 -2.090 13.825 1.00 0.00 O flip ATOM 300 NE2 GLN A 20 -4.971 -4.100 13.894 1.00 0.00 N flip ATOM 0 H GLN A 20 -5.697 -0.249 9.399 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.071 -0.828 10.348 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.070 -0.724 11.779 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.789 -2.061 10.904 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -3.907 -3.531 11.645 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.242 -2.193 12.561 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -4.316 -4.790 13.527 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -5.560 -4.331 14.694 1.00 0.00 H new ATOM 309 N THR A 21 -4.665 -3.043 8.477 1.00 0.00 N ATOM 310 CA THR A 21 -4.530 -4.204 7.660 1.00 0.00 C ATOM 311 C THR A 21 -3.472 -3.967 6.571 1.00 0.00 C ATOM 312 O THR A 21 -2.699 -4.858 6.238 1.00 0.00 O ATOM 313 CB THR A 21 -5.876 -4.479 6.991 1.00 0.00 C ATOM 314 OG1 THR A 21 -6.933 -4.039 7.872 1.00 0.00 O ATOM 315 CG2 THR A 21 -6.040 -5.948 6.777 1.00 0.00 C ATOM 0 H THR A 21 -5.598 -2.631 8.450 1.00 0.00 H new ATOM 0 HA THR A 21 -4.222 -5.050 8.275 1.00 0.00 H new ATOM 0 HB THR A 21 -5.918 -3.953 6.037 1.00 0.00 H new ATOM 0 HG1 THR A 21 -7.772 -4.479 7.622 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.001 -6.141 6.300 1.00 0.00 H new ATOM 0 HG22 THR A 21 -5.237 -6.314 6.137 1.00 0.00 H new ATOM 0 HG23 THR A 21 -6.002 -6.462 7.737 1.00 0.00 H new ATOM 323 N LEU A 22 -3.453 -2.751 6.044 1.00 0.00 N ATOM 324 CA LEU A 22 -2.516 -2.370 5.008 1.00 0.00 C ATOM 325 C LEU A 22 -1.108 -2.278 5.590 1.00 0.00 C ATOM 326 O LEU A 22 -0.158 -2.843 5.038 1.00 0.00 O ATOM 327 CB LEU A 22 -2.917 -1.012 4.415 1.00 0.00 C ATOM 328 CG LEU A 22 -2.148 -0.562 3.170 1.00 0.00 C ATOM 329 CD1 LEU A 22 -2.515 -1.427 1.973 1.00 0.00 C ATOM 330 CD2 LEU A 22 -2.407 0.903 2.873 1.00 0.00 C ATOM 0 H LEU A 22 -4.088 -2.004 6.325 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.532 -3.125 4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.978 -1.046 4.168 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.794 -0.252 5.187 1.00 0.00 H new ATOM 0 HG LEU A 22 -1.083 -0.682 3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -1.958 -1.092 1.098 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.266 -2.467 2.185 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.584 -1.343 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.849 1.198 1.984 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -3.472 1.057 2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.086 1.508 3.721 1.00 0.00 H new ATOM 342 N GLY A 23 -0.998 -1.583 6.715 1.00 0.00 N ATOM 343 CA GLY A 23 0.270 -1.378 7.375 1.00 0.00 C ATOM 344 C GLY A 23 0.950 -2.665 7.760 1.00 0.00 C ATOM 345 O GLY A 23 2.046 -2.936 7.295 1.00 0.00 O ATOM 0 H GLY A 23 -1.789 -1.149 7.190 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.927 -0.809 6.717 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.114 -0.775 8.269 1.00 0.00 H new ATOM 349 N GLU A 24 0.267 -3.489 8.533 1.00 0.00 N ATOM 350 CA GLU A 24 0.850 -4.720 9.048 1.00 0.00 C ATOM 351 C GLU A 24 1.164 -5.756 7.982 1.00 0.00 C ATOM 352 O GLU A 24 2.023 -6.629 8.165 1.00 0.00 O ATOM 353 CB GLU A 24 0.076 -5.288 10.225 1.00 0.00 C ATOM 354 CG GLU A 24 0.083 -4.352 11.426 1.00 0.00 C ATOM 355 CD GLU A 24 1.475 -3.782 11.692 1.00 0.00 C ATOM 356 OE1 GLU A 24 2.454 -4.568 11.749 1.00 0.00 O1- ATOM 357 OE2 GLU A 24 1.602 -2.550 11.771 1.00 0.00 O ATOM 0 H GLU A 24 -0.698 -3.329 8.821 1.00 0.00 H new ATOM 0 HA GLU A 24 1.825 -4.428 9.437 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -0.953 -5.479 9.922 1.00 0.00 H new ATOM 0 HB3 GLU A 24 0.507 -6.247 10.512 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.618 -3.535 11.254 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.264 -4.890 12.308 1.00 0.00 H new ATOM 364 N ALA A 25 0.445 -5.713 6.894 1.00 0.00 N ATOM 365 CA ALA A 25 0.742 -6.593 5.796 1.00 0.00 C ATOM 366 C ALA A 25 2.117 -6.242 5.222 1.00 0.00 C ATOM 367 O ALA A 25 2.945 -7.111 4.974 1.00 0.00 O ATOM 368 CB ALA A 25 -0.318 -6.478 4.722 1.00 0.00 C ATOM 0 H ALA A 25 -0.344 -5.084 6.744 1.00 0.00 H new ATOM 0 HA ALA A 25 0.752 -7.622 6.156 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -0.077 -7.151 3.899 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -1.289 -6.747 5.138 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -0.353 -5.453 4.354 1.00 0.00 H new ATOM 374 N PHE A 26 2.357 -4.958 5.055 1.00 0.00 N ATOM 375 CA PHE A 26 3.583 -4.488 4.458 1.00 0.00 C ATOM 376 C PHE A 26 4.725 -4.241 5.458 1.00 0.00 C ATOM 377 O PHE A 26 5.880 -4.116 5.048 1.00 0.00 O ATOM 378 CB PHE A 26 3.332 -3.269 3.581 1.00 0.00 C ATOM 379 CG PHE A 26 2.473 -3.564 2.375 1.00 0.00 C ATOM 380 CD1 PHE A 26 2.971 -4.310 1.325 1.00 0.00 C ATOM 381 CD2 PHE A 26 1.174 -3.104 2.295 1.00 0.00 C ATOM 382 CE1 PHE A 26 2.194 -4.590 0.217 1.00 0.00 C ATOM 383 CE2 PHE A 26 0.391 -3.381 1.192 1.00 0.00 C ATOM 384 CZ PHE A 26 0.902 -4.123 0.152 1.00 0.00 C ATOM 0 H PHE A 26 1.711 -4.218 5.328 1.00 0.00 H new ATOM 0 HA PHE A 26 3.934 -5.306 3.829 1.00 0.00 H new ATOM 0 HB2 PHE A 26 2.852 -2.494 4.178 1.00 0.00 H new ATOM 0 HB3 PHE A 26 4.289 -2.868 3.247 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.984 -4.681 1.370 1.00 0.00 H new ATOM 0 HD2 PHE A 26 0.765 -2.520 3.106 1.00 0.00 H new ATOM 0 HE1 PHE A 26 2.600 -5.174 -0.596 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -0.624 -3.015 1.145 1.00 0.00 H new ATOM 0 HZ PHE A 26 0.291 -4.338 -0.712 1.00 0.00 H new ATOM 394 N SER A 27 4.420 -4.192 6.753 1.00 0.00 N ATOM 395 CA SER A 27 5.438 -3.941 7.794 1.00 0.00 C ATOM 396 C SER A 27 6.457 -5.078 7.841 1.00 0.00 C ATOM 397 O SER A 27 7.614 -4.898 8.225 1.00 0.00 O ATOM 398 CB SER A 27 4.762 -3.745 9.164 1.00 0.00 C ATOM 399 OG SER A 27 3.935 -4.846 9.476 1.00 0.00 O ATOM 0 H SER A 27 3.476 -4.322 7.116 1.00 0.00 H new ATOM 0 HA SER A 27 5.974 -3.026 7.543 1.00 0.00 H new ATOM 0 HB2 SER A 27 5.522 -3.625 9.936 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.169 -2.830 9.155 1.00 0.00 H new ATOM 0 HG SER A 27 3.554 -4.726 10.371 1.00 0.00 H new ATOM 405 N GLN A 28 6.016 -6.228 7.391 1.00 0.00 N ATOM 406 CA GLN A 28 6.826 -7.420 7.322 1.00 0.00 C ATOM 407 C GLN A 28 7.770 -7.385 6.110 1.00 0.00 C ATOM 408 O GLN A 28 8.641 -8.236 5.969 1.00 0.00 O ATOM 409 CB GLN A 28 5.908 -8.635 7.275 1.00 0.00 C ATOM 410 CG GLN A 28 5.099 -8.816 8.554 1.00 0.00 C ATOM 411 CD GLN A 28 4.002 -9.842 8.417 1.00 0.00 C ATOM 412 OE1 GLN A 28 4.205 -11.029 8.641 1.00 0.00 O ATOM 413 NE2 GLN A 28 2.816 -9.388 8.103 1.00 0.00 N ATOM 0 H GLN A 28 5.063 -6.364 7.055 1.00 0.00 H new ATOM 0 HA GLN A 28 7.457 -7.479 8.209 1.00 0.00 H new ATOM 0 HB2 GLN A 28 5.226 -8.537 6.430 1.00 0.00 H new ATOM 0 HB3 GLN A 28 6.506 -9.529 7.099 1.00 0.00 H new ATOM 0 HG2 GLN A 28 5.768 -9.113 9.362 1.00 0.00 H new ATOM 0 HG3 GLN A 28 4.661 -7.859 8.839 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.682 -8.393 7.923 1.00 0.00 H new ATOM 0 HE22 GLN A 28 2.025 -10.029 8.038 1.00 0.00 H new ATOM 422 N PHE A 29 7.582 -6.399 5.242 1.00 0.00 N ATOM 423 CA PHE A 29 8.432 -6.235 4.076 1.00 0.00 C ATOM 424 C PHE A 29 9.342 -5.028 4.241 1.00 0.00 C ATOM 425 O PHE A 29 10.457 -5.006 3.734 1.00 0.00 O ATOM 426 CB PHE A 29 7.597 -6.112 2.791 1.00 0.00 C ATOM 427 CG PHE A 29 6.853 -7.371 2.430 1.00 0.00 C ATOM 428 CD1 PHE A 29 5.585 -7.616 2.921 1.00 0.00 C ATOM 429 CD2 PHE A 29 7.435 -8.310 1.598 1.00 0.00 C ATOM 430 CE1 PHE A 29 4.910 -8.772 2.591 1.00 0.00 C ATOM 431 CE2 PHE A 29 6.768 -9.469 1.262 1.00 0.00 C ATOM 432 CZ PHE A 29 5.502 -9.701 1.759 1.00 0.00 C ATOM 0 H PHE A 29 6.844 -5.700 5.327 1.00 0.00 H new ATOM 0 HA PHE A 29 9.053 -7.126 3.987 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.881 -5.299 2.910 1.00 0.00 H new ATOM 0 HB3 PHE A 29 8.255 -5.840 1.965 1.00 0.00 H new ATOM 0 HD1 PHE A 29 5.116 -6.893 3.572 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.426 -8.133 1.206 1.00 0.00 H new ATOM 0 HE1 PHE A 29 3.920 -8.950 2.983 1.00 0.00 H new ATOM 0 HE2 PHE A 29 7.235 -10.193 0.611 1.00 0.00 H new ATOM 0 HZ PHE A 29 4.975 -10.607 1.498 1.00 0.00 H new ATOM 442 N GLY A 30 8.875 -4.027 4.956 1.00 0.00 N ATOM 443 CA GLY A 30 9.683 -2.870 5.172 1.00 0.00 C ATOM 444 C GLY A 30 9.095 -1.955 6.195 1.00 0.00 C ATOM 445 O GLY A 30 7.949 -2.132 6.601 1.00 0.00 O ATOM 0 H GLY A 30 7.951 -4.000 5.388 1.00 0.00 H new ATOM 0 HA2 GLY A 30 10.678 -3.178 5.492 1.00 0.00 H new ATOM 0 HA3 GLY A 30 9.803 -2.332 4.232 1.00 0.00 H new ATOM 449 N GLU A 31 9.881 -0.979 6.615 1.00 0.00 N ATOM 450 CA GLU A 31 9.444 0.001 7.585 1.00 0.00 C ATOM 451 C GLU A 31 8.373 0.880 6.952 1.00 0.00 C ATOM 452 O GLU A 31 8.561 1.410 5.840 1.00 0.00 O ATOM 453 CB GLU A 31 10.625 0.855 8.042 1.00 0.00 C ATOM 454 CG GLU A 31 10.303 1.812 9.179 1.00 0.00 C ATOM 455 CD GLU A 31 11.448 2.740 9.482 1.00 0.00 C ATOM 456 OE1 GLU A 31 12.441 2.307 10.076 1.00 0.00 O ATOM 457 OE2 GLU A 31 11.383 3.913 9.092 1.00 0.00 O1- ATOM 0 H GLU A 31 10.839 -0.846 6.291 1.00 0.00 H new ATOM 0 HA GLU A 31 9.032 -0.507 8.457 1.00 0.00 H new ATOM 0 HB2 GLU A 31 11.435 0.196 8.356 1.00 0.00 H new ATOM 0 HB3 GLU A 31 10.993 1.430 7.192 1.00 0.00 H new ATOM 0 HG2 GLU A 31 9.421 2.398 8.920 1.00 0.00 H new ATOM 0 HG3 GLU A 31 10.054 1.241 10.073 1.00 0.00 H new ATOM 464 N ILE A 32 7.273 1.009 7.643 1.00 0.00 N ATOM 465 CA ILE A 32 6.135 1.746 7.170 1.00 0.00 C ATOM 466 C ILE A 32 6.183 3.165 7.705 1.00 0.00 C ATOM 467 O ILE A 32 6.139 3.378 8.912 1.00 0.00 O ATOM 468 CB ILE A 32 4.811 1.063 7.633 1.00 0.00 C ATOM 469 CG1 ILE A 32 4.742 -0.394 7.146 1.00 0.00 C ATOM 470 CG2 ILE A 32 3.585 1.839 7.170 1.00 0.00 C ATOM 471 CD1 ILE A 32 4.820 -0.555 5.642 1.00 0.00 C ATOM 0 H ILE A 32 7.141 0.597 8.567 1.00 0.00 H new ATOM 0 HA ILE A 32 6.162 1.764 6.080 1.00 0.00 H new ATOM 0 HB ILE A 32 4.812 1.063 8.723 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.557 -0.956 7.602 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.812 -0.839 7.499 1.00 0.00 H new ATOM 0 HG21 ILE A 32 2.683 1.332 7.512 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.614 2.847 7.585 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.579 1.895 6.081 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.764 -1.613 5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.990 -0.024 5.176 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.762 -0.143 5.280 1.00 0.00 H new ATOM 483 N LEU A 33 6.289 4.119 6.812 1.00 0.00 N ATOM 484 CA LEU A 33 6.298 5.520 7.199 1.00 0.00 C ATOM 485 C LEU A 33 4.867 6.045 7.185 1.00 0.00 C ATOM 486 O LEU A 33 4.517 6.970 7.911 1.00 0.00 O ATOM 487 CB LEU A 33 7.158 6.356 6.234 1.00 0.00 C ATOM 488 CG LEU A 33 8.623 5.919 6.036 1.00 0.00 C ATOM 489 CD1 LEU A 33 9.340 6.879 5.099 1.00 0.00 C ATOM 490 CD2 LEU A 33 9.364 5.827 7.365 1.00 0.00 C ATOM 0 H LEU A 33 6.371 3.956 5.808 1.00 0.00 H new ATOM 0 HA LEU A 33 6.726 5.605 8.198 1.00 0.00 H new ATOM 0 HB2 LEU A 33 6.670 6.354 5.259 1.00 0.00 H new ATOM 0 HB3 LEU A 33 7.158 7.387 6.588 1.00 0.00 H new ATOM 0 HG LEU A 33 8.615 4.925 5.589 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.373 6.557 4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.838 6.886 4.132 1.00 0.00 H new ATOM 0 HD13 LEU A 33 9.323 7.883 5.524 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.393 5.516 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.358 6.802 7.853 1.00 0.00 H new ATOM 0 HD23 LEU A 33 8.871 5.097 8.007 1.00 0.00 H new ATOM 502 N ASP A 34 4.053 5.414 6.360 1.00 0.00 N ATOM 503 CA ASP A 34 2.653 5.780 6.151 1.00 0.00 C ATOM 504 C ASP A 34 1.916 4.626 5.505 1.00 0.00 C ATOM 505 O ASP A 34 2.521 3.845 4.767 1.00 0.00 O ATOM 506 CB ASP A 34 2.539 7.063 5.282 1.00 0.00 C ATOM 507 CG ASP A 34 1.332 7.064 4.351 1.00 0.00 C ATOM 508 OD1 ASP A 34 0.213 7.336 4.815 1.00 0.00 O ATOM 509 OD2 ASP A 34 1.526 6.760 3.139 1.00 0.00 O1- ATOM 0 H ASP A 34 4.348 4.613 5.801 1.00 0.00 H new ATOM 0 HA ASP A 34 2.197 5.994 7.118 1.00 0.00 H new ATOM 0 HB2 ASP A 34 2.482 7.932 5.938 1.00 0.00 H new ATOM 0 HB3 ASP A 34 3.446 7.171 4.687 1.00 0.00 H new ATOM 514 N SER A 35 0.662 4.486 5.827 1.00 0.00 N ATOM 515 CA SER A 35 -0.191 3.494 5.250 1.00 0.00 C ATOM 516 C SER A 35 -1.623 3.982 5.340 1.00 0.00 C ATOM 517 O SER A 35 -2.234 3.941 6.418 1.00 0.00 O ATOM 518 CB SER A 35 0.001 2.134 5.948 1.00 0.00 C ATOM 519 OG SER A 35 -0.134 2.251 7.355 1.00 0.00 O ATOM 0 H SER A 35 0.195 5.075 6.516 1.00 0.00 H new ATOM 0 HA SER A 35 0.065 3.342 4.202 1.00 0.00 H new ATOM 0 HB2 SER A 35 -0.732 1.422 5.569 1.00 0.00 H new ATOM 0 HB3 SER A 35 0.987 1.736 5.707 1.00 0.00 H new ATOM 0 HG SER A 35 -0.887 2.842 7.563 1.00 0.00 H new ATOM 525 N LYS A 36 -2.138 4.475 4.248 1.00 0.00 N ATOM 526 CA LYS A 36 -3.464 5.018 4.224 1.00 0.00 C ATOM 527 C LYS A 36 -4.320 4.472 3.116 1.00 0.00 C ATOM 528 O LYS A 36 -3.942 4.480 1.942 1.00 0.00 O ATOM 529 CB LYS A 36 -3.463 6.556 4.183 1.00 0.00 C ATOM 530 CG LYS A 36 -3.436 7.246 5.555 1.00 0.00 C ATOM 531 CD LYS A 36 -4.621 6.805 6.436 1.00 0.00 C ATOM 532 CE LYS A 36 -5.982 7.035 5.754 1.00 0.00 C ATOM 533 NZ LYS A 36 -7.077 6.318 6.455 1.00 0.00 N1+ ATOM 0 H LYS A 36 -1.650 4.511 3.353 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.912 4.694 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.597 6.888 3.610 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -4.349 6.890 3.643 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.499 7.013 6.061 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -3.465 8.327 5.420 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.515 5.748 6.679 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -4.593 7.353 7.378 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.202 8.102 5.732 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.931 6.698 4.718 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.993 6.723 6.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -7.051 5.310 6.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -6.955 6.418 7.483 1.00 0.00 H new ATOM 547 N ILE A 37 -5.467 3.990 3.504 1.00 0.00 N ATOM 548 CA ILE A 37 -6.484 3.565 2.586 1.00 0.00 C ATOM 549 C ILE A 37 -7.164 4.818 2.081 1.00 0.00 C ATOM 550 O ILE A 37 -7.446 5.739 2.873 1.00 0.00 O ATOM 551 CB ILE A 37 -7.566 2.689 3.299 1.00 0.00 C ATOM 552 CG1 ILE A 37 -6.937 1.487 4.003 1.00 0.00 C ATOM 553 CG2 ILE A 37 -8.657 2.226 2.322 1.00 0.00 C ATOM 554 CD1 ILE A 37 -6.233 0.519 3.090 1.00 0.00 C ATOM 0 H ILE A 37 -5.725 3.880 4.485 1.00 0.00 H new ATOM 0 HA ILE A 37 -6.032 2.974 1.789 1.00 0.00 H new ATOM 0 HB ILE A 37 -8.036 3.320 4.054 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -6.225 1.849 4.744 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -7.717 0.952 4.545 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -9.390 1.620 2.855 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -9.151 3.096 1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -8.205 1.633 1.527 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -5.819 -0.300 3.678 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -6.942 0.122 2.364 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -5.427 1.033 2.566 1.00 0.00 H new ATOM 566 N ILE A 38 -7.403 4.887 0.804 1.00 0.00 N ATOM 567 CA ILE A 38 -8.104 6.003 0.261 1.00 0.00 C ATOM 568 C ILE A 38 -9.575 5.765 0.465 1.00 0.00 C ATOM 569 O ILE A 38 -10.210 4.954 -0.234 1.00 0.00 O ATOM 570 CB ILE A 38 -7.776 6.254 -1.241 1.00 0.00 C ATOM 571 CG1 ILE A 38 -6.276 6.570 -1.423 1.00 0.00 C ATOM 572 CG2 ILE A 38 -8.638 7.385 -1.818 1.00 0.00 C ATOM 573 CD1 ILE A 38 -5.792 7.806 -0.674 1.00 0.00 C ATOM 0 H ILE A 38 -7.121 4.182 0.123 1.00 0.00 H new ATOM 0 HA ILE A 38 -7.785 6.907 0.780 1.00 0.00 H new ATOM 0 HB ILE A 38 -8.009 5.342 -1.791 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.694 5.710 -1.092 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -6.072 6.702 -2.486 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -8.385 7.536 -2.868 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -9.692 7.119 -1.733 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -8.450 8.305 -1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.728 7.951 -0.860 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -6.343 8.680 -1.021 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -5.959 7.672 0.395 1.00 0.00 H new ATOM 585 N ASN A 39 -10.082 6.370 1.485 1.00 0.00 N ATOM 586 CA ASN A 39 -11.467 6.280 1.797 1.00 0.00 C ATOM 587 C ASN A 39 -12.230 7.313 1.018 1.00 0.00 C ATOM 588 O ASN A 39 -11.654 8.242 0.426 1.00 0.00 O ATOM 589 CB ASN A 39 -11.735 6.431 3.310 1.00 0.00 C ATOM 590 CG ASN A 39 -11.277 7.769 3.884 1.00 0.00 C ATOM 591 OD1 ASN A 39 -10.131 7.912 4.323 1.00 0.00 O ATOM 592 ND2 ASN A 39 -12.157 8.748 3.903 1.00 0.00 N ATOM 0 H ASN A 39 -9.542 6.946 2.131 1.00 0.00 H new ATOM 0 HA ASN A 39 -11.809 5.285 1.513 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.803 6.313 3.494 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -11.229 5.625 3.842 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.900 9.657 4.288 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -13.095 8.598 3.533 1.00 0.00 H new ATOM 599 N ASP A 40 -13.495 7.140 0.988 1.00 0.00 N ATOM 600 CA ASP A 40 -14.374 8.016 0.314 1.00 0.00 C ATOM 601 C ASP A 40 -14.628 9.190 1.208 1.00 0.00 C ATOM 602 O ASP A 40 -14.954 9.021 2.374 1.00 0.00 O ATOM 603 CB ASP A 40 -15.671 7.289 -0.016 1.00 0.00 C ATOM 604 CG ASP A 40 -16.537 8.049 -0.955 1.00 0.00 C ATOM 605 OD1 ASP A 40 -17.337 8.847 -0.497 1.00 0.00 O1- ATOM 606 OD2 ASP A 40 -16.403 7.848 -2.181 1.00 0.00 O ATOM 0 H ASP A 40 -13.964 6.359 1.447 1.00 0.00 H new ATOM 0 HA ASP A 40 -13.938 8.359 -0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -15.437 6.318 -0.451 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -16.221 7.101 0.906 1.00 0.00 H new ATOM 611 N ARG A 41 -14.406 10.357 0.693 1.00 0.00 N ATOM 612 CA ARG A 41 -14.564 11.579 1.454 1.00 0.00 C ATOM 613 C ARG A 41 -16.039 11.880 1.708 1.00 0.00 C ATOM 614 O ARG A 41 -16.387 12.492 2.712 1.00 0.00 O ATOM 615 CB ARG A 41 -13.928 12.742 0.688 1.00 0.00 C ATOM 616 CG ARG A 41 -14.020 14.090 1.388 1.00 0.00 C ATOM 617 CD ARG A 41 -13.729 15.228 0.425 1.00 0.00 C ATOM 618 NE ARG A 41 -14.742 15.306 -0.645 1.00 0.00 N ATOM 619 CZ ARG A 41 -15.005 16.376 -1.402 1.00 0.00 C ATOM 620 NH1 ARG A 41 -14.234 17.470 -1.326 1.00 0.00 N1+ ATOM 621 NH2 ARG A 41 -16.033 16.344 -2.233 1.00 0.00 N ATOM 0 H ARG A 41 -14.108 10.502 -0.272 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.069 11.452 2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.878 12.511 0.510 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -14.407 12.821 -0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -15.016 14.215 1.813 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.313 14.122 2.217 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.703 16.171 0.972 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -12.742 15.088 -0.017 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.292 14.466 -0.824 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.439 17.490 -0.687 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -14.442 18.282 -1.907 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.616 15.509 -2.291 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -16.243 17.154 -2.816 1.00 0.00 H new ATOM 635 N GLU A 42 -16.888 11.422 0.813 1.00 0.00 N ATOM 636 CA GLU A 42 -18.278 11.789 0.855 1.00 0.00 C ATOM 637 C GLU A 42 -19.061 10.824 1.759 1.00 0.00 C ATOM 638 O GLU A 42 -19.864 11.237 2.585 1.00 0.00 O ATOM 639 CB GLU A 42 -18.913 11.775 -0.566 1.00 0.00 C ATOM 640 CG GLU A 42 -17.949 11.864 -1.779 1.00 0.00 C ATOM 641 CD GLU A 42 -17.001 13.054 -1.799 1.00 0.00 C ATOM 642 OE1 GLU A 42 -17.448 14.195 -1.908 1.00 0.00 O1- ATOM 643 OE2 GLU A 42 -15.755 12.840 -1.726 1.00 0.00 O ATOM 0 H GLU A 42 -16.635 10.795 0.049 1.00 0.00 H new ATOM 0 HA GLU A 42 -18.334 12.801 1.256 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -19.496 10.860 -0.665 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -19.613 12.608 -0.630 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -17.354 10.951 -1.811 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -18.547 11.887 -2.690 1.00 0.00 H new ATOM 650 N THR A 43 -18.818 9.538 1.590 1.00 0.00 N ATOM 651 CA THR A 43 -19.564 8.521 2.315 1.00 0.00 C ATOM 652 C THR A 43 -18.752 7.777 3.392 1.00 0.00 C ATOM 653 O THR A 43 -19.309 7.008 4.169 1.00 0.00 O ATOM 654 CB THR A 43 -20.207 7.522 1.335 1.00 0.00 C ATOM 655 OG1 THR A 43 -19.240 7.100 0.358 1.00 0.00 O ATOM 656 CG2 THR A 43 -21.385 8.149 0.628 1.00 0.00 C ATOM 0 H THR A 43 -18.109 9.170 0.956 1.00 0.00 H new ATOM 0 HA THR A 43 -20.340 9.060 2.858 1.00 0.00 H new ATOM 0 HB THR A 43 -20.553 6.661 1.906 1.00 0.00 H new ATOM 0 HG1 THR A 43 -18.724 7.875 0.052 1.00 0.00 H new ATOM 0 HG21 THR A 43 -21.824 7.426 -0.059 1.00 0.00 H new ATOM 0 HG22 THR A 43 -22.132 8.451 1.363 1.00 0.00 H new ATOM 0 HG23 THR A 43 -21.051 9.024 0.070 1.00 0.00 H new ATOM 664 N GLY A 44 -17.447 7.967 3.407 1.00 0.00 N ATOM 665 CA GLY A 44 -16.604 7.352 4.440 1.00 0.00 C ATOM 666 C GLY A 44 -16.147 5.928 4.117 1.00 0.00 C ATOM 667 O GLY A 44 -15.210 5.424 4.724 1.00 0.00 O ATOM 0 H GLY A 44 -16.942 8.535 2.727 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -15.724 7.977 4.593 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.154 7.339 5.381 1.00 0.00 H new ATOM 671 N ARG A 45 -16.800 5.297 3.157 1.00 0.00 N ATOM 672 CA ARG A 45 -16.460 3.921 2.732 1.00 0.00 C ATOM 673 C ARG A 45 -15.090 3.864 2.058 1.00 0.00 C ATOM 674 O ARG A 45 -14.625 4.847 1.538 1.00 0.00 O ATOM 675 CB ARG A 45 -17.504 3.399 1.744 1.00 0.00 C ATOM 676 CG ARG A 45 -17.847 4.419 0.680 1.00 0.00 C ATOM 677 CD ARG A 45 -18.470 3.811 -0.549 1.00 0.00 C ATOM 678 NE ARG A 45 -17.462 3.110 -1.362 1.00 0.00 N ATOM 679 CZ ARG A 45 -16.899 3.613 -2.484 1.00 0.00 C ATOM 680 NH1 ARG A 45 -17.194 4.862 -2.887 1.00 0.00 N1+ ATOM 681 NH2 ARG A 45 -16.003 2.886 -3.165 1.00 0.00 N ATOM 0 H ARG A 45 -17.579 5.708 2.643 1.00 0.00 H new ATOM 0 HA ARG A 45 -16.442 3.303 3.629 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -17.130 2.493 1.268 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -18.409 3.124 2.286 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -18.532 5.155 1.100 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -16.941 4.953 0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -19.255 3.113 -0.256 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -18.944 4.591 -1.145 1.00 0.00 H new ATOM 0 HE ARG A 45 -17.168 2.182 -1.058 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -17.844 5.432 -2.346 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -16.768 5.239 -3.734 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -15.747 1.955 -2.837 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -15.577 3.264 -4.011 1.00 0.00 H new ATOM 695 N SER A 46 -14.462 2.720 2.071 1.00 0.00 N ATOM 696 CA SER A 46 -13.198 2.529 1.389 1.00 0.00 C ATOM 697 C SER A 46 -13.398 2.688 -0.144 1.00 0.00 C ATOM 698 O SER A 46 -14.392 2.194 -0.699 1.00 0.00 O ATOM 699 CB SER A 46 -12.701 1.123 1.723 1.00 0.00 C ATOM 700 OG SER A 46 -12.794 0.908 3.122 1.00 0.00 O ATOM 0 H SER A 46 -14.807 1.890 2.553 1.00 0.00 H new ATOM 0 HA SER A 46 -12.467 3.271 1.710 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.294 0.380 1.190 1.00 0.00 H new ATOM 0 HB3 SER A 46 -11.669 1.003 1.394 1.00 0.00 H new ATOM 0 HG SER A 46 -12.477 0.006 3.336 1.00 0.00 H new ATOM 706 N ARG A 47 -12.493 3.400 -0.824 1.00 0.00 N ATOM 707 CA ARG A 47 -12.612 3.570 -2.275 1.00 0.00 C ATOM 708 C ARG A 47 -11.978 2.430 -3.056 1.00 0.00 C ATOM 709 O ARG A 47 -12.003 2.422 -4.278 1.00 0.00 O ATOM 710 CB ARG A 47 -12.153 4.959 -2.774 1.00 0.00 C ATOM 711 CG ARG A 47 -13.162 6.057 -2.462 1.00 0.00 C ATOM 712 CD ARG A 47 -12.762 7.434 -3.006 1.00 0.00 C ATOM 713 NE ARG A 47 -13.877 8.396 -2.841 1.00 0.00 N ATOM 714 CZ ARG A 47 -13.812 9.736 -2.764 1.00 0.00 C ATOM 715 NH1 ARG A 47 -12.644 10.375 -2.857 1.00 0.00 N1+ ATOM 716 NH2 ARG A 47 -14.943 10.419 -2.572 1.00 0.00 N ATOM 0 H ARG A 47 -11.685 3.859 -0.403 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.681 3.526 -2.481 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -11.197 5.208 -2.314 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -11.988 4.918 -3.851 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.130 5.778 -2.879 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.289 6.126 -1.382 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -11.879 7.797 -2.481 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.496 7.353 -4.060 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.811 7.990 -2.778 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -11.782 9.846 -2.989 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -12.613 11.393 -2.796 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.830 9.923 -2.487 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -14.920 11.437 -2.510 1.00 0.00 H new ATOM 730 N GLY A 48 -11.435 1.464 -2.340 1.00 0.00 N ATOM 731 CA GLY A 48 -10.945 0.259 -2.977 1.00 0.00 C ATOM 732 C GLY A 48 -9.459 0.240 -3.229 1.00 0.00 C ATOM 733 O GLY A 48 -8.951 -0.704 -3.838 1.00 0.00 O ATOM 0 H GLY A 48 -11.323 1.490 -1.326 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -11.205 -0.597 -2.354 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -11.463 0.130 -3.928 1.00 0.00 H new ATOM 737 N PHE A 49 -8.749 1.253 -2.779 1.00 0.00 N ATOM 738 CA PHE A 49 -7.313 1.281 -2.953 1.00 0.00 C ATOM 739 C PHE A 49 -6.682 2.136 -1.865 1.00 0.00 C ATOM 740 O PHE A 49 -7.400 2.807 -1.111 1.00 0.00 O ATOM 741 CB PHE A 49 -6.917 1.778 -4.369 1.00 0.00 C ATOM 742 CG PHE A 49 -7.139 3.231 -4.646 1.00 0.00 C ATOM 743 CD1 PHE A 49 -8.402 3.732 -4.905 1.00 0.00 C ATOM 744 CD2 PHE A 49 -6.063 4.091 -4.651 1.00 0.00 C ATOM 745 CE1 PHE A 49 -8.586 5.076 -5.163 1.00 0.00 C ATOM 746 CE2 PHE A 49 -6.234 5.434 -4.909 1.00 0.00 C ATOM 747 CZ PHE A 49 -7.497 5.930 -5.166 1.00 0.00 C ATOM 0 H PHE A 49 -9.139 2.061 -2.294 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.933 0.263 -2.863 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.861 1.557 -4.527 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -7.477 1.200 -5.104 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -9.252 3.066 -4.905 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.073 3.708 -4.450 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -9.576 5.459 -5.362 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.382 6.097 -4.910 1.00 0.00 H new ATOM 0 HZ PHE A 49 -7.635 6.982 -5.369 1.00 0.00 H new ATOM 757 N GLY A 50 -5.380 2.095 -1.766 1.00 0.00 N ATOM 758 CA GLY A 50 -4.679 2.849 -0.771 1.00 0.00 C ATOM 759 C GLY A 50 -3.223 3.011 -1.123 1.00 0.00 C ATOM 760 O GLY A 50 -2.757 2.475 -2.138 1.00 0.00 O ATOM 0 H GLY A 50 -4.780 1.538 -2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -5.140 3.831 -0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -4.768 2.350 0.194 1.00 0.00 H new ATOM 764 N PHE A 51 -2.510 3.729 -0.304 1.00 0.00 N ATOM 765 CA PHE A 51 -1.101 3.966 -0.496 1.00 0.00 C ATOM 766 C PHE A 51 -0.345 3.580 0.748 1.00 0.00 C ATOM 767 O PHE A 51 -0.873 3.658 1.855 1.00 0.00 O ATOM 768 CB PHE A 51 -0.807 5.439 -0.828 1.00 0.00 C ATOM 769 CG PHE A 51 -1.293 5.903 -2.174 1.00 0.00 C ATOM 770 CD1 PHE A 51 -0.525 5.695 -3.307 1.00 0.00 C ATOM 771 CD2 PHE A 51 -2.498 6.566 -2.303 1.00 0.00 C ATOM 772 CE1 PHE A 51 -0.951 6.137 -4.542 1.00 0.00 C ATOM 773 CE2 PHE A 51 -2.936 7.008 -3.536 1.00 0.00 C ATOM 774 CZ PHE A 51 -2.160 6.794 -4.657 1.00 0.00 C ATOM 0 H PHE A 51 -2.893 4.175 0.530 1.00 0.00 H new ATOM 0 HA PHE A 51 -0.778 3.356 -1.340 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -1.261 6.065 -0.060 1.00 0.00 H new ATOM 0 HB3 PHE A 51 0.270 5.599 -0.774 1.00 0.00 H new ATOM 0 HD1 PHE A 51 0.420 5.180 -3.223 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -3.106 6.741 -1.428 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.340 5.970 -5.417 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -3.883 7.520 -3.623 1.00 0.00 H new ATOM 0 HZ PHE A 51 -2.498 7.140 -5.623 1.00 0.00 H new ATOM 784 N VAL A 52 0.857 3.138 0.562 1.00 0.00 N ATOM 785 CA VAL A 52 1.721 2.784 1.653 1.00 0.00 C ATOM 786 C VAL A 52 3.121 3.340 1.378 1.00 0.00 C ATOM 787 O VAL A 52 3.614 3.259 0.255 1.00 0.00 O ATOM 788 CB VAL A 52 1.727 1.234 1.908 1.00 0.00 C ATOM 789 CG1 VAL A 52 2.133 0.452 0.670 1.00 0.00 C ATOM 790 CG2 VAL A 52 2.607 0.864 3.091 1.00 0.00 C ATOM 0 H VAL A 52 1.275 3.010 -0.359 1.00 0.00 H new ATOM 0 HA VAL A 52 1.346 3.231 2.574 1.00 0.00 H new ATOM 0 HB VAL A 52 0.701 0.956 2.150 1.00 0.00 H new ATOM 0 HG11 VAL A 52 2.123 -0.615 0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.431 0.660 -0.138 1.00 0.00 H new ATOM 0 HG13 VAL A 52 3.136 0.749 0.365 1.00 0.00 H new ATOM 0 HG21 VAL A 52 2.586 -0.216 3.236 1.00 0.00 H new ATOM 0 HG22 VAL A 52 3.631 1.184 2.897 1.00 0.00 H new ATOM 0 HG23 VAL A 52 2.236 1.358 3.989 1.00 0.00 H new ATOM 800 N THR A 53 3.710 3.943 2.364 1.00 0.00 N ATOM 801 CA THR A 53 4.993 4.578 2.240 1.00 0.00 C ATOM 802 C THR A 53 6.081 3.799 2.993 1.00 0.00 C ATOM 803 O THR A 53 5.925 3.466 4.173 1.00 0.00 O ATOM 804 CB THR A 53 4.902 6.016 2.766 1.00 0.00 C ATOM 805 OG1 THR A 53 3.888 6.734 2.029 1.00 0.00 O ATOM 806 CG2 THR A 53 6.224 6.733 2.618 1.00 0.00 C ATOM 0 H THR A 53 3.307 4.011 3.298 1.00 0.00 H new ATOM 0 HA THR A 53 5.272 4.591 1.186 1.00 0.00 H new ATOM 0 HB THR A 53 4.644 5.978 3.824 1.00 0.00 H new ATOM 0 HG1 THR A 53 3.064 6.773 2.559 1.00 0.00 H new ATOM 0 HG21 THR A 53 6.131 7.750 2.999 1.00 0.00 H new ATOM 0 HG22 THR A 53 6.991 6.203 3.183 1.00 0.00 H new ATOM 0 HG23 THR A 53 6.505 6.764 1.565 1.00 0.00 H new ATOM 814 N PHE A 54 7.163 3.524 2.297 1.00 0.00 N ATOM 815 CA PHE A 54 8.293 2.786 2.818 1.00 0.00 C ATOM 816 C PHE A 54 9.514 3.671 2.984 1.00 0.00 C ATOM 817 O PHE A 54 9.586 4.762 2.413 1.00 0.00 O ATOM 818 CB PHE A 54 8.648 1.651 1.877 1.00 0.00 C ATOM 819 CG PHE A 54 7.601 0.597 1.773 1.00 0.00 C ATOM 820 CD1 PHE A 54 7.580 -0.462 2.661 1.00 0.00 C ATOM 821 CD2 PHE A 54 6.637 0.660 0.785 1.00 0.00 C ATOM 822 CE1 PHE A 54 6.612 -1.433 2.568 1.00 0.00 C ATOM 823 CE2 PHE A 54 5.672 -0.306 0.687 1.00 0.00 C ATOM 824 CZ PHE A 54 5.658 -1.353 1.577 1.00 0.00 C ATOM 0 H PHE A 54 7.284 3.816 1.327 1.00 0.00 H new ATOM 0 HA PHE A 54 8.004 2.399 3.795 1.00 0.00 H new ATOM 0 HB2 PHE A 54 8.835 2.061 0.885 1.00 0.00 H new ATOM 0 HB3 PHE A 54 9.578 1.192 2.213 1.00 0.00 H new ATOM 0 HD1 PHE A 54 8.331 -0.527 3.435 1.00 0.00 H new ATOM 0 HD2 PHE A 54 6.645 1.480 0.082 1.00 0.00 H new ATOM 0 HE1 PHE A 54 6.599 -2.255 3.268 1.00 0.00 H new ATOM 0 HE2 PHE A 54 4.923 -0.245 -0.089 1.00 0.00 H new ATOM 0 HZ PHE A 54 4.897 -2.115 1.499 1.00 0.00 H new ATOM 834 N LYS A 55 10.474 3.164 3.748 1.00 0.00 N ATOM 835 CA LYS A 55 11.732 3.854 4.048 1.00 0.00 C ATOM 836 C LYS A 55 12.745 3.665 2.895 1.00 0.00 C ATOM 837 O LYS A 55 13.656 4.479 2.704 1.00 0.00 O ATOM 838 CB LYS A 55 12.304 3.254 5.334 1.00 0.00 C ATOM 839 CG LYS A 55 13.369 4.078 6.042 1.00 0.00 C ATOM 840 CD LYS A 55 13.951 3.280 7.198 1.00 0.00 C ATOM 841 CE LYS A 55 14.650 4.151 8.235 1.00 0.00 C ATOM 842 NZ LYS A 55 13.709 5.073 8.910 1.00 0.00 N1+ ATOM 0 H LYS A 55 10.403 2.246 4.186 1.00 0.00 H new ATOM 0 HA LYS A 55 11.547 4.922 4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 55 11.482 3.086 6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 55 12.727 2.277 5.098 1.00 0.00 H new ATOM 0 HG2 LYS A 55 14.158 4.349 5.341 1.00 0.00 H new ATOM 0 HG3 LYS A 55 12.937 5.008 6.411 1.00 0.00 H new ATOM 0 HD2 LYS A 55 13.152 2.719 7.683 1.00 0.00 H new ATOM 0 HD3 LYS A 55 14.661 2.551 6.807 1.00 0.00 H new ATOM 0 HE2 LYS A 55 15.130 3.515 8.978 1.00 0.00 H new ATOM 0 HE3 LYS A 55 15.439 4.728 7.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 13.931 5.114 9.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 13.798 6.023 8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 12.735 4.730 8.782 1.00 0.00 H new ATOM 856 N ASP A 56 12.588 2.573 2.145 1.00 0.00 N ATOM 857 CA ASP A 56 13.454 2.283 1.004 1.00 0.00 C ATOM 858 C ASP A 56 12.620 1.818 -0.161 1.00 0.00 C ATOM 859 O ASP A 56 11.498 1.339 0.015 1.00 0.00 O ATOM 860 CB ASP A 56 14.559 1.229 1.308 1.00 0.00 C ATOM 861 CG ASP A 56 15.432 0.966 0.079 1.00 0.00 C ATOM 862 OD1 ASP A 56 16.096 1.919 -0.417 1.00 0.00 O1- ATOM 863 OD2 ASP A 56 15.346 -0.117 -0.483 1.00 0.00 O ATOM 0 H ASP A 56 11.865 1.873 2.310 1.00 0.00 H new ATOM 0 HA ASP A 56 13.970 3.213 0.765 1.00 0.00 H new ATOM 0 HB2 ASP A 56 15.182 1.580 2.131 1.00 0.00 H new ATOM 0 HB3 ASP A 56 14.096 0.297 1.634 1.00 0.00 H new ATOM 868 N GLU A 57 13.178 1.935 -1.328 1.00 0.00 N ATOM 869 CA GLU A 57 12.534 1.591 -2.534 1.00 0.00 C ATOM 870 C GLU A 57 12.492 0.118 -2.768 1.00 0.00 C ATOM 871 O GLU A 57 11.518 -0.360 -3.299 1.00 0.00 O ATOM 872 CB GLU A 57 13.179 2.292 -3.678 1.00 0.00 C ATOM 873 CG GLU A 57 14.653 2.048 -3.824 1.00 0.00 C ATOM 874 CD GLU A 57 15.226 2.977 -4.817 1.00 0.00 C ATOM 875 OE1 GLU A 57 15.097 2.702 -6.016 1.00 0.00 O ATOM 876 OE2 GLU A 57 15.786 4.022 -4.381 1.00 0.00 O1- ATOM 0 H GLU A 57 14.127 2.286 -1.458 1.00 0.00 H new ATOM 0 HA GLU A 57 11.498 1.918 -2.450 1.00 0.00 H new ATOM 0 HB2 GLU A 57 12.683 1.985 -4.599 1.00 0.00 H new ATOM 0 HB3 GLU A 57 13.013 3.364 -3.568 1.00 0.00 H new ATOM 0 HG2 GLU A 57 15.148 2.181 -2.862 1.00 0.00 H new ATOM 0 HG3 GLU A 57 14.830 1.018 -4.134 1.00 0.00 H new ATOM 883 N LYS A 58 13.514 -0.637 -2.374 1.00 0.00 N ATOM 884 CA LYS A 58 13.402 -2.056 -2.610 1.00 0.00 C ATOM 885 C LYS A 58 12.407 -2.613 -1.656 1.00 0.00 C ATOM 886 O LYS A 58 11.663 -3.443 -2.018 1.00 0.00 O ATOM 887 CB LYS A 58 14.675 -2.896 -2.555 1.00 0.00 C ATOM 888 CG LYS A 58 14.394 -4.256 -3.252 1.00 0.00 C ATOM 889 CD LYS A 58 15.365 -5.375 -2.933 1.00 0.00 C ATOM 890 CE LYS A 58 14.983 -6.672 -3.707 1.00 0.00 C ATOM 891 NZ LYS A 58 13.573 -7.127 -3.477 1.00 0.00 N1+ ATOM 0 H LYS A 58 14.369 -0.313 -1.922 1.00 0.00 H new ATOM 0 HA LYS A 58 13.101 -2.129 -3.655 1.00 0.00 H new ATOM 0 HB2 LYS A 58 15.494 -2.377 -3.052 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.980 -3.055 -1.521 1.00 0.00 H new ATOM 0 HG2 LYS A 58 13.391 -4.582 -2.978 1.00 0.00 H new ATOM 0 HG3 LYS A 58 14.394 -4.097 -4.330 1.00 0.00 H new ATOM 0 HD2 LYS A 58 16.378 -5.072 -3.199 1.00 0.00 H new ATOM 0 HD3 LYS A 58 15.362 -5.571 -1.861 1.00 0.00 H new ATOM 0 HE2 LYS A 58 15.130 -6.503 -4.774 1.00 0.00 H new ATOM 0 HE3 LYS A 58 15.664 -7.471 -3.414 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 13.420 -8.038 -3.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 13.407 -7.240 -2.457 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.913 -6.420 -3.859 1.00 0.00 H new ATOM 905 N ALA A 59 12.359 -2.063 -0.447 1.00 0.00 N ATOM 906 CA ALA A 59 11.338 -2.448 0.537 1.00 0.00 C ATOM 907 C ALA A 59 9.941 -2.254 -0.074 1.00 0.00 C ATOM 908 O ALA A 59 9.017 -3.023 0.171 1.00 0.00 O ATOM 909 CB ALA A 59 11.488 -1.615 1.801 1.00 0.00 C ATOM 0 H ALA A 59 13.011 -1.350 -0.120 1.00 0.00 H new ATOM 0 HA ALA A 59 11.467 -3.497 0.802 1.00 0.00 H new ATOM 0 HB1 ALA A 59 10.726 -1.909 2.523 1.00 0.00 H new ATOM 0 HB2 ALA A 59 12.477 -1.779 2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 59 11.369 -0.559 1.557 1.00 0.00 H new ATOM 915 N MET A 60 9.830 -1.226 -0.904 1.00 0.00 N ATOM 916 CA MET A 60 8.629 -0.951 -1.662 1.00 0.00 C ATOM 917 C MET A 60 8.446 -2.024 -2.754 1.00 0.00 C ATOM 918 O MET A 60 7.349 -2.520 -2.963 1.00 0.00 O ATOM 919 CB MET A 60 8.723 0.441 -2.293 1.00 0.00 C ATOM 920 CG MET A 60 7.527 0.832 -3.135 1.00 0.00 C ATOM 921 SD MET A 60 7.750 2.413 -3.980 1.00 0.00 S ATOM 922 CE MET A 60 9.201 2.059 -4.969 1.00 0.00 C ATOM 0 H MET A 60 10.582 -0.556 -1.068 1.00 0.00 H new ATOM 0 HA MET A 60 7.766 -0.977 -0.996 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.849 1.178 -1.500 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.618 0.485 -2.914 1.00 0.00 H new ATOM 0 HG2 MET A 60 7.339 0.054 -3.875 1.00 0.00 H new ATOM 0 HG3 MET A 60 6.643 0.887 -2.499 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.254 2.761 -5.801 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.095 2.159 -4.353 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.139 1.042 -5.355 1.00 0.00 H new ATOM 932 N ARG A 61 9.538 -2.380 -3.442 1.00 0.00 N ATOM 933 CA ARG A 61 9.481 -3.437 -4.458 1.00 0.00 C ATOM 934 C ARG A 61 9.204 -4.802 -3.847 1.00 0.00 C ATOM 935 O ARG A 61 8.415 -5.523 -4.379 1.00 0.00 O ATOM 936 CB ARG A 61 10.695 -3.508 -5.430 1.00 0.00 C ATOM 937 CG ARG A 61 10.719 -2.466 -6.563 1.00 0.00 C ATOM 938 CD ARG A 61 11.148 -1.104 -6.085 1.00 0.00 C ATOM 939 NE ARG A 61 11.091 -0.075 -7.129 1.00 0.00 N ATOM 940 CZ ARG A 61 11.970 0.935 -7.281 1.00 0.00 C ATOM 941 NH1 ARG A 61 13.146 0.913 -6.641 1.00 0.00 N1+ ATOM 942 NH2 ARG A 61 11.682 1.935 -8.100 1.00 0.00 N ATOM 0 H ARG A 61 10.458 -1.959 -3.316 1.00 0.00 H new ATOM 0 HA ARG A 61 8.637 -3.142 -5.081 1.00 0.00 H new ATOM 0 HB2 ARG A 61 11.609 -3.400 -4.846 1.00 0.00 H new ATOM 0 HB3 ARG A 61 10.718 -4.502 -5.878 1.00 0.00 H new ATOM 0 HG2 ARG A 61 11.397 -2.802 -7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 61 9.727 -2.395 -7.008 1.00 0.00 H new ATOM 0 HD2 ARG A 61 10.512 -0.802 -5.253 1.00 0.00 H new ATOM 0 HD3 ARG A 61 12.166 -1.166 -5.702 1.00 0.00 H new ATOM 0 HE ARG A 61 10.321 -0.129 -7.796 1.00 0.00 H new ATOM 0 HH11 ARG A 61 13.381 0.128 -6.034 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.806 1.681 -6.761 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.799 1.938 -8.611 1.00 0.00 H new ATOM 0 HH22 ARG A 61 12.343 2.703 -8.220 1.00 0.00 H new ATOM 956 N ASP A 62 9.827 -5.122 -2.707 1.00 0.00 N ATOM 957 CA ASP A 62 9.607 -6.402 -1.988 1.00 0.00 C ATOM 958 C ASP A 62 8.160 -6.542 -1.620 1.00 0.00 C ATOM 959 O ASP A 62 7.591 -7.638 -1.644 1.00 0.00 O ATOM 960 CB ASP A 62 10.474 -6.528 -0.706 1.00 0.00 C ATOM 961 CG ASP A 62 11.946 -6.771 -0.981 1.00 0.00 C ATOM 962 OD1 ASP A 62 12.337 -7.922 -1.246 1.00 0.00 O1- ATOM 963 OD2 ASP A 62 12.732 -5.822 -0.987 1.00 0.00 O ATOM 0 H ASP A 62 10.500 -4.507 -2.249 1.00 0.00 H new ATOM 0 HA ASP A 62 9.907 -7.199 -2.668 1.00 0.00 H new ATOM 0 HB2 ASP A 62 10.370 -5.616 -0.118 1.00 0.00 H new ATOM 0 HB3 ASP A 62 10.088 -7.346 -0.097 1.00 0.00 H new ATOM 968 N ALA A 63 7.545 -5.413 -1.330 1.00 0.00 N ATOM 969 CA ALA A 63 6.145 -5.357 -1.001 1.00 0.00 C ATOM 970 C ALA A 63 5.325 -5.735 -2.222 1.00 0.00 C ATOM 971 O ALA A 63 4.290 -6.359 -2.120 1.00 0.00 O ATOM 972 CB ALA A 63 5.794 -3.970 -0.545 1.00 0.00 C ATOM 0 H ALA A 63 8.011 -4.506 -1.317 1.00 0.00 H new ATOM 0 HA ALA A 63 5.925 -6.059 -0.196 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.734 -3.926 -0.296 1.00 0.00 H new ATOM 0 HB2 ALA A 63 6.385 -3.716 0.335 1.00 0.00 H new ATOM 0 HB3 ALA A 63 6.008 -3.259 -1.343 1.00 0.00 H new ATOM 978 N ILE A 64 5.816 -5.360 -3.366 1.00 0.00 N ATOM 979 CA ILE A 64 5.201 -5.692 -4.621 1.00 0.00 C ATOM 980 C ILE A 64 5.486 -7.170 -4.927 1.00 0.00 C ATOM 981 O ILE A 64 4.574 -7.948 -5.137 1.00 0.00 O ATOM 982 CB ILE A 64 5.768 -4.789 -5.756 1.00 0.00 C ATOM 983 CG1 ILE A 64 5.493 -3.312 -5.434 1.00 0.00 C ATOM 984 CG2 ILE A 64 5.174 -5.171 -7.112 1.00 0.00 C ATOM 985 CD1 ILE A 64 6.207 -2.325 -6.327 1.00 0.00 C ATOM 0 H ILE A 64 6.668 -4.806 -3.457 1.00 0.00 H new ATOM 0 HA ILE A 64 4.125 -5.526 -4.561 1.00 0.00 H new ATOM 0 HB ILE A 64 6.846 -4.941 -5.816 1.00 0.00 H new ATOM 0 HG12 ILE A 64 4.420 -3.133 -5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.782 -3.120 -4.401 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.588 -4.524 -7.886 1.00 0.00 H new ATOM 0 HG22 ILE A 64 5.419 -6.209 -7.337 1.00 0.00 H new ATOM 0 HG23 ILE A 64 4.091 -5.053 -7.081 1.00 0.00 H new ATOM 0 HD11 ILE A 64 5.952 -1.310 -6.024 1.00 0.00 H new ATOM 0 HD12 ILE A 64 7.284 -2.470 -6.241 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.901 -2.483 -7.361 1.00 0.00 H new ATOM 997 N GLU A 65 6.758 -7.530 -4.856 1.00 0.00 N ATOM 998 CA GLU A 65 7.272 -8.859 -5.145 1.00 0.00 C ATOM 999 C GLU A 65 6.564 -9.954 -4.327 1.00 0.00 C ATOM 1000 O GLU A 65 6.266 -11.023 -4.848 1.00 0.00 O ATOM 1001 CB GLU A 65 8.806 -8.887 -4.887 1.00 0.00 C ATOM 1002 CG GLU A 65 9.654 -7.991 -5.821 1.00 0.00 C ATOM 1003 CD GLU A 65 11.108 -7.765 -5.332 1.00 0.00 C ATOM 1004 OE1 GLU A 65 11.899 -8.723 -5.258 1.00 0.00 O ATOM 1005 OE2 GLU A 65 11.484 -6.598 -5.039 1.00 0.00 O1- ATOM 0 H GLU A 65 7.491 -6.876 -4.584 1.00 0.00 H new ATOM 0 HA GLU A 65 7.070 -9.075 -6.194 1.00 0.00 H new ATOM 0 HB2 GLU A 65 8.989 -8.584 -3.856 1.00 0.00 H new ATOM 0 HB3 GLU A 65 9.155 -9.915 -4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 65 9.682 -8.442 -6.813 1.00 0.00 H new ATOM 0 HG3 GLU A 65 9.162 -7.024 -5.924 1.00 0.00 H new ATOM 1012 N GLY A 66 6.291 -9.681 -3.070 1.00 0.00 N ATOM 1013 CA GLY A 66 5.674 -10.685 -2.238 1.00 0.00 C ATOM 1014 C GLY A 66 4.175 -10.524 -2.038 1.00 0.00 C ATOM 1015 O GLY A 66 3.547 -11.402 -1.478 1.00 0.00 O ATOM 0 H GLY A 66 6.482 -8.791 -2.611 1.00 0.00 H new ATOM 0 HA2 GLY A 66 5.863 -11.665 -2.677 1.00 0.00 H new ATOM 0 HA3 GLY A 66 6.159 -10.674 -1.262 1.00 0.00 H new ATOM 1019 N MET A 67 3.593 -9.415 -2.471 1.00 0.00 N ATOM 1020 CA MET A 67 2.152 -9.200 -2.231 1.00 0.00 C ATOM 1021 C MET A 67 1.342 -9.026 -3.519 1.00 0.00 C ATOM 1022 O MET A 67 0.111 -8.986 -3.467 1.00 0.00 O ATOM 1023 CB MET A 67 1.908 -7.991 -1.309 1.00 0.00 C ATOM 1024 CG MET A 67 2.496 -8.102 0.099 1.00 0.00 C ATOM 1025 SD MET A 67 1.631 -9.267 1.181 1.00 0.00 S ATOM 1026 CE MET A 67 0.044 -8.462 1.364 1.00 0.00 C ATOM 0 H MET A 67 4.067 -8.666 -2.975 1.00 0.00 H new ATOM 0 HA MET A 67 1.803 -10.110 -1.742 1.00 0.00 H new ATOM 0 HB2 MET A 67 2.322 -7.103 -1.787 1.00 0.00 H new ATOM 0 HB3 MET A 67 0.833 -7.834 -1.223 1.00 0.00 H new ATOM 0 HG2 MET A 67 3.540 -8.405 0.021 1.00 0.00 H new ATOM 0 HG3 MET A 67 2.484 -7.116 0.563 1.00 0.00 H new ATOM 0 HE1 MET A 67 -0.355 -8.666 2.357 1.00 0.00 H new ATOM 0 HE2 MET A 67 0.165 -7.386 1.236 1.00 0.00 H new ATOM 0 HE3 MET A 67 -0.646 -8.842 0.611 1.00 0.00 H new ATOM 1036 N ASN A 68 2.000 -8.897 -4.661 1.00 0.00 N ATOM 1037 CA ASN A 68 1.274 -8.661 -5.928 1.00 0.00 C ATOM 1038 C ASN A 68 0.453 -9.883 -6.354 1.00 0.00 C ATOM 1039 O ASN A 68 0.999 -10.956 -6.568 1.00 0.00 O ATOM 1040 CB ASN A 68 2.241 -8.285 -7.071 1.00 0.00 C ATOM 1041 CG ASN A 68 1.529 -7.885 -8.366 1.00 0.00 C ATOM 1042 OD1 ASN A 68 1.167 -8.715 -9.178 1.00 0.00 O ATOM 1043 ND2 ASN A 68 1.388 -6.596 -8.601 1.00 0.00 N ATOM 0 H ASN A 68 3.015 -8.948 -4.751 1.00 0.00 H new ATOM 0 HA ASN A 68 0.596 -7.829 -5.739 1.00 0.00 H new ATOM 0 HB2 ASN A 68 2.874 -7.460 -6.744 1.00 0.00 H new ATOM 0 HB3 ASN A 68 2.898 -9.131 -7.273 1.00 0.00 H new ATOM 0 HD21 ASN A 68 0.969 -6.280 -9.476 1.00 0.00 H new ATOM 0 HD22 ASN A 68 1.697 -5.914 -7.908 1.00 0.00 H new ATOM 1050 N GLY A 69 -0.862 -9.726 -6.413 1.00 0.00 N ATOM 1051 CA GLY A 69 -1.706 -10.767 -6.962 1.00 0.00 C ATOM 1052 C GLY A 69 -2.410 -11.606 -5.922 1.00 0.00 C ATOM 1053 O GLY A 69 -3.479 -12.173 -6.192 1.00 0.00 O ATOM 0 H GLY A 69 -1.359 -8.896 -6.090 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.453 -10.309 -7.610 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -1.098 -11.420 -7.588 1.00 0.00 H new ATOM 1057 N GLN A 70 -1.850 -11.685 -4.742 1.00 0.00 N ATOM 1058 CA GLN A 70 -2.427 -12.525 -3.708 1.00 0.00 C ATOM 1059 C GLN A 70 -3.584 -11.855 -2.974 1.00 0.00 C ATOM 1060 O GLN A 70 -3.967 -10.719 -3.292 1.00 0.00 O ATOM 1061 CB GLN A 70 -1.372 -13.061 -2.748 1.00 0.00 C ATOM 1062 CG GLN A 70 -0.525 -12.016 -2.067 1.00 0.00 C ATOM 1063 CD GLN A 70 0.460 -12.644 -1.114 1.00 0.00 C ATOM 1064 OE1 GLN A 70 0.898 -13.770 -1.309 1.00 0.00 O ATOM 1065 NE2 GLN A 70 0.811 -11.940 -0.090 1.00 0.00 N ATOM 0 H GLN A 70 -1.004 -11.186 -4.469 1.00 0.00 H new ATOM 0 HA GLN A 70 -2.855 -13.385 -4.223 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -1.871 -13.655 -1.982 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -0.715 -13.735 -3.297 1.00 0.00 H new ATOM 0 HG2 GLN A 70 0.012 -11.435 -2.817 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -1.167 -11.322 -1.525 1.00 0.00 H new ATOM 0 HE21 GLN A 70 0.426 -11.005 0.042 1.00 0.00 H new ATOM 0 HE22 GLN A 70 1.473 -12.319 0.587 1.00 0.00 H new ATOM 1074 N ASP A 71 -4.130 -12.565 -2.013 1.00 0.00 N ATOM 1075 CA ASP A 71 -5.312 -12.129 -1.291 1.00 0.00 C ATOM 1076 C ASP A 71 -4.949 -11.295 -0.088 1.00 0.00 C ATOM 1077 O ASP A 71 -3.913 -11.517 0.558 1.00 0.00 O ATOM 1078 CB ASP A 71 -6.132 -13.345 -0.817 1.00 0.00 C ATOM 1079 CG ASP A 71 -7.455 -12.958 -0.148 1.00 0.00 C ATOM 1080 OD1 ASP A 71 -7.464 -12.575 1.057 1.00 0.00 O ATOM 1081 OD2 ASP A 71 -8.480 -13.029 -0.817 1.00 0.00 O1- ATOM 0 H ASP A 71 -3.767 -13.467 -1.706 1.00 0.00 H new ATOM 0 HA ASP A 71 -5.903 -11.523 -1.978 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -6.339 -13.990 -1.671 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -5.534 -13.927 -0.115 1.00 0.00 H new ATOM 1086 N LEU A 72 -5.761 -10.322 0.162 1.00 0.00 N ATOM 1087 CA LEU A 72 -5.715 -9.534 1.335 1.00 0.00 C ATOM 1088 C LEU A 72 -7.156 -9.144 1.619 1.00 0.00 C ATOM 1089 O LEU A 72 -7.768 -8.417 0.829 1.00 0.00 O ATOM 1090 CB LEU A 72 -4.804 -8.286 1.132 1.00 0.00 C ATOM 1091 CG LEU A 72 -4.378 -7.459 2.389 1.00 0.00 C ATOM 1092 CD1 LEU A 72 -3.341 -6.419 2.006 1.00 0.00 C ATOM 1093 CD2 LEU A 72 -5.555 -6.755 3.046 1.00 0.00 C ATOM 0 H LEU A 72 -6.506 -10.047 -0.479 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.284 -10.078 2.176 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -3.895 -8.618 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -5.317 -7.609 0.448 1.00 0.00 H new ATOM 0 HG LEU A 72 -3.962 -8.169 3.104 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.053 -5.850 2.890 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.463 -6.916 1.592 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -3.761 -5.744 1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -5.206 -6.195 3.914 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -6.014 -6.070 2.333 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -6.290 -7.494 3.363 1.00 0.00 H new ATOM 1105 N ASP A 73 -7.701 -9.709 2.698 1.00 0.00 N ATOM 1106 CA ASP A 73 -9.062 -9.397 3.206 1.00 0.00 C ATOM 1107 C ASP A 73 -10.165 -9.908 2.236 1.00 0.00 C ATOM 1108 O ASP A 73 -11.284 -9.400 2.195 1.00 0.00 O ATOM 1109 CB ASP A 73 -9.161 -7.863 3.484 1.00 0.00 C ATOM 1110 CG ASP A 73 -10.431 -7.395 4.183 1.00 0.00 C ATOM 1111 OD1 ASP A 73 -10.716 -7.887 5.281 1.00 0.00 O ATOM 1112 OD2 ASP A 73 -11.087 -6.435 3.668 1.00 0.00 O1- ATOM 0 H ASP A 73 -7.213 -10.407 3.259 1.00 0.00 H new ATOM 0 HA ASP A 73 -9.233 -9.925 4.144 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -8.305 -7.567 4.091 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.076 -7.335 2.534 1.00 0.00 H new ATOM 1117 N GLY A 74 -9.853 -10.972 1.492 1.00 0.00 N ATOM 1118 CA GLY A 74 -10.844 -11.570 0.608 1.00 0.00 C ATOM 1119 C GLY A 74 -10.826 -10.955 -0.768 1.00 0.00 C ATOM 1120 O GLY A 74 -11.800 -11.049 -1.534 1.00 0.00 O ATOM 0 H GLY A 74 -8.940 -11.426 1.486 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -10.657 -12.641 0.528 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -11.836 -11.451 1.044 1.00 0.00 H new ATOM 1124 N ARG A 75 -9.757 -10.285 -1.065 1.00 0.00 N ATOM 1125 CA ARG A 75 -9.582 -9.655 -2.327 1.00 0.00 C ATOM 1126 C ARG A 75 -8.153 -9.821 -2.838 1.00 0.00 C ATOM 1127 O ARG A 75 -7.203 -9.724 -2.079 1.00 0.00 O ATOM 1128 CB ARG A 75 -9.950 -8.176 -2.226 1.00 0.00 C ATOM 1129 CG ARG A 75 -9.564 -7.361 -3.434 1.00 0.00 C ATOM 1130 CD ARG A 75 -10.321 -7.720 -4.693 1.00 0.00 C ATOM 1131 NE ARG A 75 -9.625 -7.165 -5.864 1.00 0.00 N ATOM 1132 CZ ARG A 75 -10.185 -6.706 -6.983 1.00 0.00 C ATOM 1133 NH1 ARG A 75 -11.517 -6.677 -7.114 1.00 0.00 N1+ ATOM 1134 NH2 ARG A 75 -9.400 -6.268 -7.976 1.00 0.00 N ATOM 0 H ARG A 75 -8.972 -10.161 -0.425 1.00 0.00 H new ATOM 0 HA ARG A 75 -10.245 -10.138 -3.045 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -11.026 -8.090 -2.072 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -9.467 -7.752 -1.346 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -9.728 -6.306 -3.214 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -8.497 -7.487 -3.617 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -10.401 -8.803 -4.785 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -11.337 -7.329 -4.642 1.00 0.00 H new ATOM 0 HE ARG A 75 -8.607 -7.127 -5.814 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -12.112 -7.008 -6.354 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -11.937 -6.324 -7.974 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -8.386 -6.288 -7.871 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -9.817 -5.914 -8.837 1.00 0.00 H new ATOM 1148 N ASN A 76 -8.026 -10.044 -4.131 1.00 0.00 N ATOM 1149 CA ASN A 76 -6.724 -10.091 -4.792 1.00 0.00 C ATOM 1150 C ASN A 76 -6.269 -8.685 -4.999 1.00 0.00 C ATOM 1151 O ASN A 76 -6.919 -7.899 -5.729 1.00 0.00 O ATOM 1152 CB ASN A 76 -6.778 -10.810 -6.146 1.00 0.00 C ATOM 1153 CG ASN A 76 -7.146 -12.269 -6.044 1.00 0.00 C ATOM 1154 OD1 ASN A 76 -8.314 -12.621 -6.087 1.00 0.00 O ATOM 1155 ND2 ASN A 76 -6.158 -13.124 -5.941 1.00 0.00 N ATOM 0 H ASN A 76 -8.816 -10.198 -4.757 1.00 0.00 H new ATOM 0 HA ASN A 76 -6.035 -10.652 -4.161 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -7.502 -10.306 -6.786 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -5.807 -10.723 -6.633 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -6.352 -14.124 -5.894 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -5.195 -12.789 -5.908 1.00 0.00 H new ATOM 1162 N ILE A 77 -5.205 -8.355 -4.367 1.00 0.00 N ATOM 1163 CA ILE A 77 -4.697 -7.018 -4.372 1.00 0.00 C ATOM 1164 C ILE A 77 -3.649 -6.807 -5.457 1.00 0.00 C ATOM 1165 O ILE A 77 -2.855 -7.704 -5.777 1.00 0.00 O ATOM 1166 CB ILE A 77 -4.099 -6.656 -3.002 1.00 0.00 C ATOM 1167 CG1 ILE A 77 -3.056 -7.709 -2.597 1.00 0.00 C ATOM 1168 CG2 ILE A 77 -5.214 -6.582 -1.963 1.00 0.00 C ATOM 1169 CD1 ILE A 77 -2.177 -7.309 -1.451 1.00 0.00 C ATOM 0 H ILE A 77 -4.647 -9.011 -3.820 1.00 0.00 H new ATOM 0 HA ILE A 77 -5.541 -6.362 -4.585 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.608 -5.685 -3.062 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -3.574 -8.632 -2.336 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.428 -7.929 -3.460 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -4.790 -6.325 -0.992 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -5.935 -5.819 -2.257 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -5.714 -7.548 -1.897 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -1.473 -8.112 -1.235 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -1.627 -6.405 -1.712 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -2.791 -7.118 -0.571 1.00 0.00 H new ATOM 1181 N THR A 78 -3.655 -5.641 -6.030 1.00 0.00 N ATOM 1182 CA THR A 78 -2.690 -5.285 -7.012 1.00 0.00 C ATOM 1183 C THR A 78 -1.750 -4.247 -6.402 1.00 0.00 C ATOM 1184 O THR A 78 -2.159 -3.132 -6.074 1.00 0.00 O ATOM 1185 CB THR A 78 -3.395 -4.716 -8.253 1.00 0.00 C ATOM 1186 OG1 THR A 78 -4.403 -5.651 -8.665 1.00 0.00 O ATOM 1187 CG2 THR A 78 -2.404 -4.508 -9.396 1.00 0.00 C ATOM 0 H THR A 78 -4.336 -4.910 -5.824 1.00 0.00 H new ATOM 0 HA THR A 78 -2.119 -6.160 -7.321 1.00 0.00 H new ATOM 0 HB THR A 78 -3.837 -3.751 -8.005 1.00 0.00 H new ATOM 0 HG1 THR A 78 -4.866 -5.305 -9.456 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.928 -4.105 -10.263 1.00 0.00 H new ATOM 0 HG22 THR A 78 -1.629 -3.809 -9.083 1.00 0.00 H new ATOM 0 HG23 THR A 78 -1.947 -5.462 -9.660 1.00 0.00 H new ATOM 1195 N VAL A 79 -0.511 -4.621 -6.251 1.00 0.00 N ATOM 1196 CA VAL A 79 0.478 -3.782 -5.609 1.00 0.00 C ATOM 1197 C VAL A 79 1.501 -3.349 -6.646 1.00 0.00 C ATOM 1198 O VAL A 79 2.045 -4.194 -7.352 1.00 0.00 O ATOM 1199 CB VAL A 79 1.205 -4.578 -4.479 1.00 0.00 C ATOM 1200 CG1 VAL A 79 2.141 -3.693 -3.680 1.00 0.00 C ATOM 1201 CG2 VAL A 79 0.208 -5.259 -3.555 1.00 0.00 C ATOM 0 H VAL A 79 -0.150 -5.520 -6.569 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.014 -2.912 -5.174 1.00 0.00 H new ATOM 0 HB VAL A 79 1.804 -5.346 -4.968 1.00 0.00 H new ATOM 0 HG11 VAL A 79 2.627 -4.284 -2.904 1.00 0.00 H new ATOM 0 HG12 VAL A 79 2.897 -3.272 -4.342 1.00 0.00 H new ATOM 0 HG13 VAL A 79 1.573 -2.886 -3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.745 -5.805 -2.779 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -0.432 -4.507 -3.093 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.405 -5.954 -4.129 1.00 0.00 H new ATOM 1211 N ASN A 80 1.713 -2.058 -6.781 1.00 0.00 N ATOM 1212 CA ASN A 80 2.720 -1.530 -7.701 1.00 0.00 C ATOM 1213 C ASN A 80 3.253 -0.227 -7.141 1.00 0.00 C ATOM 1214 O ASN A 80 2.584 0.411 -6.342 1.00 0.00 O ATOM 1215 CB ASN A 80 2.164 -1.327 -9.135 1.00 0.00 C ATOM 1216 CG ASN A 80 1.146 -0.199 -9.269 1.00 0.00 C ATOM 1217 OD1 ASN A 80 1.502 0.937 -9.536 1.00 0.00 O ATOM 1218 ND2 ASN A 80 -0.116 -0.509 -9.109 1.00 0.00 N ATOM 0 H ASN A 80 1.201 -1.342 -6.265 1.00 0.00 H new ATOM 0 HA ASN A 80 3.525 -2.260 -7.787 1.00 0.00 H new ATOM 0 HB2 ASN A 80 2.998 -1.128 -9.809 1.00 0.00 H new ATOM 0 HB3 ASN A 80 1.702 -2.257 -9.466 1.00 0.00 H new ATOM 0 HD21 ASN A 80 -0.834 0.209 -9.207 1.00 0.00 H new ATOM 0 HD22 ASN A 80 -0.381 -1.468 -8.886 1.00 0.00 H new ATOM 1225 N GLU A 81 4.451 0.149 -7.509 1.00 0.00 N ATOM 1226 CA GLU A 81 5.057 1.347 -6.964 1.00 0.00 C ATOM 1227 C GLU A 81 4.404 2.601 -7.504 1.00 0.00 C ATOM 1228 O GLU A 81 3.918 2.643 -8.643 1.00 0.00 O ATOM 1229 CB GLU A 81 6.554 1.363 -7.180 1.00 0.00 C ATOM 1230 CG GLU A 81 6.960 1.325 -8.611 1.00 0.00 C ATOM 1231 CD GLU A 81 8.433 1.115 -8.769 1.00 0.00 C ATOM 1232 OE1 GLU A 81 8.892 -0.007 -8.599 1.00 0.00 O ATOM 1233 OE2 GLU A 81 9.151 2.082 -9.048 1.00 0.00 O1- ATOM 0 H GLU A 81 5.029 -0.353 -8.183 1.00 0.00 H new ATOM 0 HA GLU A 81 4.885 1.332 -5.888 1.00 0.00 H new ATOM 0 HB2 GLU A 81 6.968 2.260 -6.719 1.00 0.00 H new ATOM 0 HB3 GLU A 81 6.994 0.509 -6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.423 0.524 -9.119 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.673 2.259 -9.095 1.00 0.00 H new ATOM 1240 N ALA A 82 4.425 3.603 -6.706 1.00 0.00 N ATOM 1241 CA ALA A 82 3.730 4.837 -6.992 1.00 0.00 C ATOM 1242 C ALA A 82 4.677 6.019 -6.969 1.00 0.00 C ATOM 1243 O ALA A 82 4.257 7.161 -6.776 1.00 0.00 O ATOM 1244 CB ALA A 82 2.622 5.025 -5.976 1.00 0.00 C ATOM 0 H ALA A 82 4.928 3.606 -5.819 1.00 0.00 H new ATOM 0 HA ALA A 82 3.305 4.780 -7.994 1.00 0.00 H new ATOM 0 HB1 ALA A 82 2.092 5.954 -6.184 1.00 0.00 H new ATOM 0 HB2 ALA A 82 1.926 4.188 -6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.050 5.068 -4.975 1.00 0.00 H new ATOM 1250 N GLN A 83 5.950 5.754 -7.180 1.00 0.00 N ATOM 1251 CA GLN A 83 6.921 6.829 -7.217 1.00 0.00 C ATOM 1252 C GLN A 83 6.764 7.714 -8.460 1.00 0.00 C ATOM 1253 O GLN A 83 6.131 7.306 -9.466 1.00 0.00 O ATOM 1254 CB GLN A 83 8.381 6.350 -6.959 1.00 0.00 C ATOM 1255 CG GLN A 83 8.927 5.190 -7.818 1.00 0.00 C ATOM 1256 CD GLN A 83 9.105 5.506 -9.298 1.00 0.00 C ATOM 1257 OE1 GLN A 83 9.326 6.636 -9.687 1.00 0.00 O ATOM 1258 NE2 GLN A 83 9.088 4.495 -10.115 1.00 0.00 N ATOM 0 H GLN A 83 6.332 4.820 -7.326 1.00 0.00 H new ATOM 0 HA GLN A 83 6.696 7.476 -6.369 1.00 0.00 H new ATOM 0 HB2 GLN A 83 9.042 7.206 -7.095 1.00 0.00 H new ATOM 0 HB3 GLN A 83 8.455 6.054 -5.913 1.00 0.00 H new ATOM 0 HG2 GLN A 83 9.889 4.880 -7.411 1.00 0.00 H new ATOM 0 HG3 GLN A 83 8.252 4.340 -7.723 1.00 0.00 H new ATOM 0 HE21 GLN A 83 8.900 3.557 -9.762 1.00 0.00 H new ATOM 0 HE22 GLN A 83 9.263 4.640 -11.109 1.00 0.00 H new ATOM 1267 N SER A 84 7.308 8.910 -8.381 1.00 0.00 N ATOM 1268 CA SER A 84 7.184 9.894 -9.422 1.00 0.00 C ATOM 1269 C SER A 84 8.043 9.544 -10.636 1.00 0.00 C ATOM 1270 O SER A 84 9.243 9.789 -10.669 1.00 0.00 O ATOM 1271 CB SER A 84 7.541 11.260 -8.861 1.00 0.00 C ATOM 1272 OG SER A 84 6.779 11.506 -7.683 1.00 0.00 O ATOM 0 H SER A 84 7.855 9.225 -7.580 1.00 0.00 H new ATOM 0 HA SER A 84 6.152 9.911 -9.771 1.00 0.00 H new ATOM 0 HB2 SER A 84 8.606 11.304 -8.633 1.00 0.00 H new ATOM 0 HB3 SER A 84 7.342 12.033 -9.603 1.00 0.00 H new ATOM 0 HG SER A 84 7.011 12.387 -7.321 1.00 0.00 H new ATOM 1278 N ARG A 85 7.410 8.932 -11.598 1.00 0.00 N ATOM 1279 CA ARG A 85 8.055 8.531 -12.830 1.00 0.00 C ATOM 1280 C ARG A 85 8.173 9.724 -13.770 1.00 0.00 C ATOM 1281 O ARG A 85 7.187 10.433 -13.991 1.00 0.00 O ATOM 1282 CB ARG A 85 7.229 7.426 -13.486 1.00 0.00 C ATOM 1283 CG ARG A 85 7.146 6.147 -12.666 1.00 0.00 C ATOM 1284 CD ARG A 85 6.088 5.207 -13.220 1.00 0.00 C ATOM 1285 NE ARG A 85 6.059 3.908 -12.521 1.00 0.00 N ATOM 1286 CZ ARG A 85 5.212 3.574 -11.521 1.00 0.00 C ATOM 1287 NH1 ARG A 85 4.486 4.504 -10.893 1.00 0.00 N1+ ATOM 1288 NH2 ARG A 85 5.139 2.317 -11.111 1.00 0.00 N ATOM 0 H ARG A 85 6.420 8.692 -11.554 1.00 0.00 H new ATOM 0 HA ARG A 85 9.057 8.160 -12.615 1.00 0.00 H new ATOM 0 HB2 ARG A 85 6.220 7.798 -13.664 1.00 0.00 H new ATOM 0 HB3 ARG A 85 7.660 7.194 -14.460 1.00 0.00 H new ATOM 0 HG2 ARG A 85 8.115 5.648 -12.666 1.00 0.00 H new ATOM 0 HG3 ARG A 85 6.913 6.391 -11.630 1.00 0.00 H new ATOM 0 HD2 ARG A 85 5.109 5.680 -13.140 1.00 0.00 H new ATOM 0 HD3 ARG A 85 6.275 5.040 -14.281 1.00 0.00 H new ATOM 0 HE ARG A 85 6.734 3.203 -12.817 1.00 0.00 H new ATOM 0 HH11 ARG A 85 4.566 5.484 -11.166 1.00 0.00 H new ATOM 0 HH12 ARG A 85 3.852 4.234 -10.141 1.00 0.00 H new ATOM 0 HH21 ARG A 85 5.721 1.603 -11.549 1.00 0.00 H new ATOM 0 HH22 ARG A 85 4.501 2.063 -10.357 1.00 0.00 H new TER 1302 ARG A 85