USER MOD reduce.3.24.130724 H: found=0, std=0, add=598, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 596 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 15 LYS NZ :NH3+ 153:sc= 0.354 (180deg=0) USER MOD Set 1.2: A 36 THR OG1 : rot 180:sc= 0.309 USER MOD Set 2.1: A 34 SER OG : rot 180:sc= 0.648 USER MOD Set 2.2: A 37 GLN : amide:sc= 0.633 K(o=1.3,f=0.073) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.106 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= -0.185 K(o=-0.18,f=-1.1) USER MOD Single : A 22 TYR OH : rot -12:sc= 1.25 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= -0.0294 K(o=-0.029,f=-1.1!) USER MOD Single : A 30 GLN : amide:sc= -0.356 K(o=-0.36,f=-4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 150:sc= 0 USER MOD Single : A 46 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.469 K(o=-0.47,f=-1.4!) USER MOD Single : A 55 MET CE :methyl 173:sc= 0 (180deg=-0.0858) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot 180:sc= 0.00912 USER MOD Single : A 60 MET CE :methyl -160:sc= -1.35 (180deg=-1.49) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot -54:sc= 0.186 USER MOD Single : A 76 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -23.916 13.451 -5.240 1.00 0.00 N ATOM 2 CA GLY A 1 -22.846 12.508 -4.902 1.00 0.00 C ATOM 3 C GLY A 1 -22.854 12.200 -3.417 1.00 0.00 C ATOM 4 O GLY A 1 -23.818 12.516 -2.715 1.00 0.00 O ATOM 0 H1 GLY A 1 -24.471 13.076 -6.035 1.00 0.00 H new ATOM 0 H2 GLY A 1 -24.537 13.582 -4.416 1.00 0.00 H new ATOM 0 H3 GLY A 1 -23.500 14.366 -5.509 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -22.973 11.587 -5.470 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -21.881 12.928 -5.187 1.00 0.00 H new ATOM 8 N SER A 2 -21.762 11.592 -2.944 1.00 0.00 N ATOM 9 CA SER A 2 -21.523 11.287 -1.539 1.00 0.00 C ATOM 10 C SER A 2 -22.715 10.522 -0.948 1.00 0.00 C ATOM 11 O SER A 2 -23.431 10.992 -0.062 1.00 0.00 O ATOM 12 CB SER A 2 -21.144 12.590 -0.828 1.00 0.00 C ATOM 13 OG SER A 2 -20.113 13.253 -1.549 1.00 0.00 O ATOM 0 H SER A 2 -20.999 11.291 -3.551 1.00 0.00 H new ATOM 0 HA SER A 2 -20.683 10.607 -1.400 1.00 0.00 H new ATOM 0 HB2 SER A 2 -22.017 13.237 -0.747 1.00 0.00 H new ATOM 0 HB3 SER A 2 -20.810 12.377 0.187 1.00 0.00 H new ATOM 0 HG SER A 2 -19.877 14.086 -1.090 1.00 0.00 H new ATOM 19 N SER A 3 -22.973 9.353 -1.532 1.00 0.00 N ATOM 20 CA SER A 3 -24.046 8.448 -1.173 1.00 0.00 C ATOM 21 C SER A 3 -23.580 7.037 -1.533 1.00 0.00 C ATOM 22 O SER A 3 -22.733 6.862 -2.418 1.00 0.00 O ATOM 23 CB SER A 3 -25.303 8.858 -1.948 1.00 0.00 C ATOM 24 OG SER A 3 -26.456 8.183 -1.491 1.00 0.00 O ATOM 0 H SER A 3 -22.408 9.001 -2.305 1.00 0.00 H new ATOM 0 HA SER A 3 -24.288 8.481 -0.111 1.00 0.00 H new ATOM 0 HB2 SER A 3 -25.452 9.934 -1.852 1.00 0.00 H new ATOM 0 HB3 SER A 3 -25.158 8.649 -3.008 1.00 0.00 H new ATOM 0 HG SER A 3 -27.234 8.475 -2.011 1.00 0.00 H new ATOM 30 N GLY A 4 -24.141 6.037 -0.861 1.00 0.00 N ATOM 31 CA GLY A 4 -23.735 4.645 -0.882 1.00 0.00 C ATOM 32 C GLY A 4 -24.201 3.968 -2.155 1.00 0.00 C ATOM 33 O GLY A 4 -25.260 3.336 -2.174 1.00 0.00 O ATOM 0 H GLY A 4 -24.942 6.192 -0.249 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.650 4.577 -0.805 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -24.149 4.127 -0.017 1.00 0.00 H new ATOM 37 N SER A 5 -23.394 4.062 -3.202 1.00 0.00 N ATOM 38 CA SER A 5 -23.641 3.424 -4.480 1.00 0.00 C ATOM 39 C SER A 5 -22.312 2.917 -5.039 1.00 0.00 C ATOM 40 O SER A 5 -21.255 3.121 -4.428 1.00 0.00 O ATOM 41 CB SER A 5 -24.335 4.439 -5.402 1.00 0.00 C ATOM 42 OG SER A 5 -25.418 3.837 -6.075 1.00 0.00 O ATOM 0 H SER A 5 -22.527 4.599 -3.182 1.00 0.00 H new ATOM 0 HA SER A 5 -24.301 2.562 -4.386 1.00 0.00 H new ATOM 0 HB2 SER A 5 -24.690 5.287 -4.817 1.00 0.00 H new ATOM 0 HB3 SER A 5 -23.620 4.828 -6.127 1.00 0.00 H new ATOM 0 HG SER A 5 -25.850 4.497 -6.656 1.00 0.00 H new ATOM 48 N SER A 6 -22.362 2.235 -6.181 1.00 0.00 N ATOM 49 CA SER A 6 -21.177 1.865 -6.937 1.00 0.00 C ATOM 50 C SER A 6 -20.692 3.052 -7.785 1.00 0.00 C ATOM 51 O SER A 6 -21.379 4.078 -7.931 1.00 0.00 O ATOM 52 CB SER A 6 -21.516 0.649 -7.804 1.00 0.00 C ATOM 53 OG SER A 6 -21.891 -0.444 -6.984 1.00 0.00 O ATOM 0 H SER A 6 -23.235 1.923 -6.607 1.00 0.00 H new ATOM 0 HA SER A 6 -20.362 1.602 -6.262 1.00 0.00 H new ATOM 0 HB2 SER A 6 -22.328 0.896 -8.488 1.00 0.00 H new ATOM 0 HB3 SER A 6 -20.655 0.377 -8.415 1.00 0.00 H new ATOM 0 HG SER A 6 -22.108 -1.216 -7.547 1.00 0.00 H new ATOM 59 N GLY A 7 -19.519 2.904 -8.398 1.00 0.00 N ATOM 60 CA GLY A 7 -18.902 3.855 -9.310 1.00 0.00 C ATOM 61 C GLY A 7 -18.502 3.169 -10.609 1.00 0.00 C ATOM 62 O GLY A 7 -18.569 1.943 -10.726 1.00 0.00 O ATOM 0 H GLY A 7 -18.946 2.071 -8.262 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -19.597 4.668 -9.521 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -18.024 4.299 -8.842 1.00 0.00 H new ATOM 66 N VAL A 8 -18.066 3.959 -11.587 1.00 0.00 N ATOM 67 CA VAL A 8 -17.547 3.456 -12.848 1.00 0.00 C ATOM 68 C VAL A 8 -16.028 3.368 -12.719 1.00 0.00 C ATOM 69 O VAL A 8 -15.333 4.382 -12.638 1.00 0.00 O ATOM 70 CB VAL A 8 -18.083 4.263 -14.045 1.00 0.00 C ATOM 71 CG1 VAL A 8 -19.582 3.953 -14.204 1.00 0.00 C ATOM 72 CG2 VAL A 8 -17.904 5.784 -13.923 1.00 0.00 C ATOM 0 H VAL A 8 -18.065 4.977 -11.522 1.00 0.00 H new ATOM 0 HA VAL A 8 -17.906 2.450 -13.064 1.00 0.00 H new ATOM 0 HB VAL A 8 -17.497 3.959 -14.912 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -19.982 4.515 -15.048 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -19.716 2.886 -14.383 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -20.111 4.238 -13.294 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -18.310 6.270 -14.810 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -18.431 6.143 -13.039 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -16.844 6.020 -13.833 1.00 0.00 H new ATOM 82 N ARG A 9 -15.548 2.133 -12.557 1.00 0.00 N ATOM 83 CA ARG A 9 -14.163 1.718 -12.309 1.00 0.00 C ATOM 84 C ARG A 9 -13.342 2.701 -11.468 1.00 0.00 C ATOM 85 O ARG A 9 -12.216 3.055 -11.832 1.00 0.00 O ATOM 86 CB ARG A 9 -13.450 1.399 -13.625 1.00 0.00 C ATOM 87 CG ARG A 9 -14.200 0.492 -14.586 1.00 0.00 C ATOM 88 CD ARG A 9 -13.208 -0.298 -15.447 1.00 0.00 C ATOM 89 NE ARG A 9 -13.864 -0.873 -16.626 1.00 0.00 N ATOM 90 CZ ARG A 9 -13.839 -0.379 -17.865 1.00 0.00 C ATOM 91 NH1 ARG A 9 -13.222 0.764 -18.145 1.00 0.00 N ATOM 92 NH2 ARG A 9 -14.486 -1.028 -18.823 1.00 0.00 N ATOM 0 H ARG A 9 -16.172 1.327 -12.599 1.00 0.00 H new ATOM 0 HA ARG A 9 -14.236 0.815 -11.703 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -13.235 2.338 -14.136 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -12.491 0.936 -13.393 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -14.837 -0.195 -14.028 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -14.854 1.086 -15.224 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -12.396 0.357 -15.763 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -12.761 -1.095 -14.852 1.00 0.00 H new ATOM 0 HE ARG A 9 -14.391 -1.735 -16.485 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -12.753 1.285 -17.404 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -13.217 1.120 -19.101 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -14.990 -1.888 -18.606 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -14.480 -0.668 -19.777 1.00 0.00 H new ATOM 106 N VAL A 10 -13.919 3.167 -10.362 1.00 0.00 N ATOM 107 CA VAL A 10 -13.277 4.149 -9.500 1.00 0.00 C ATOM 108 C VAL A 10 -12.049 3.501 -8.880 1.00 0.00 C ATOM 109 O VAL A 10 -12.171 2.551 -8.103 1.00 0.00 O ATOM 110 CB VAL A 10 -14.231 4.647 -8.407 1.00 0.00 C ATOM 111 CG1 VAL A 10 -13.513 5.592 -7.430 1.00 0.00 C ATOM 112 CG2 VAL A 10 -15.449 5.361 -9.011 1.00 0.00 C ATOM 0 H VAL A 10 -14.842 2.874 -10.042 1.00 0.00 H new ATOM 0 HA VAL A 10 -12.991 5.018 -10.092 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.575 3.769 -7.860 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -14.215 5.928 -6.667 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.686 5.064 -6.955 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -13.128 6.454 -7.974 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -16.105 5.702 -8.210 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -15.115 6.218 -9.596 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.992 4.671 -9.656 1.00 0.00 H new ATOM 122 N LEU A 11 -10.883 4.065 -9.167 1.00 0.00 N ATOM 123 CA LEU A 11 -9.605 3.647 -8.622 1.00 0.00 C ATOM 124 C LEU A 11 -8.822 4.894 -8.223 1.00 0.00 C ATOM 125 O LEU A 11 -7.893 5.327 -8.907 1.00 0.00 O ATOM 126 CB LEU A 11 -8.849 2.775 -9.640 1.00 0.00 C ATOM 127 CG LEU A 11 -9.546 1.449 -9.984 1.00 0.00 C ATOM 128 CD1 LEU A 11 -8.861 0.762 -11.162 1.00 0.00 C ATOM 129 CD2 LEU A 11 -9.561 0.466 -8.805 1.00 0.00 C ATOM 0 H LEU A 11 -10.802 4.854 -9.809 1.00 0.00 H new ATOM 0 HA LEU A 11 -9.747 3.030 -7.734 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.710 3.347 -10.557 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.856 2.558 -9.247 1.00 0.00 H new ATOM 0 HG LEU A 11 -10.573 1.711 -10.237 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.373 -0.174 -11.385 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -8.898 1.414 -12.035 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -7.821 0.555 -10.908 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -10.065 -0.453 -9.104 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -8.537 0.238 -8.508 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -10.091 0.914 -7.965 1.00 0.00 H new ATOM 141 N SER A 12 -9.218 5.493 -7.106 1.00 0.00 N ATOM 142 CA SER A 12 -8.348 6.348 -6.309 1.00 0.00 C ATOM 143 C SER A 12 -7.671 5.462 -5.264 1.00 0.00 C ATOM 144 O SER A 12 -8.209 4.416 -4.880 1.00 0.00 O ATOM 145 CB SER A 12 -9.178 7.454 -5.651 1.00 0.00 C ATOM 146 OG SER A 12 -9.806 8.251 -6.649 1.00 0.00 O ATOM 0 H SER A 12 -10.160 5.398 -6.725 1.00 0.00 H new ATOM 0 HA SER A 12 -7.590 6.832 -6.926 1.00 0.00 H new ATOM 0 HB2 SER A 12 -9.932 7.014 -4.998 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.538 8.077 -5.026 1.00 0.00 H new ATOM 0 HG SER A 12 -10.336 8.955 -6.220 1.00 0.00 H new ATOM 152 N TYR A 13 -6.482 5.846 -4.822 1.00 0.00 N ATOM 153 CA TYR A 13 -5.774 5.182 -3.747 1.00 0.00 C ATOM 154 C TYR A 13 -6.354 5.724 -2.432 1.00 0.00 C ATOM 155 O TYR A 13 -6.048 6.857 -2.033 1.00 0.00 O ATOM 156 CB TYR A 13 -4.277 5.500 -3.867 1.00 0.00 C ATOM 157 CG TYR A 13 -3.440 4.892 -4.983 1.00 0.00 C ATOM 158 CD1 TYR A 13 -3.959 3.985 -5.928 1.00 0.00 C ATOM 159 CD2 TYR A 13 -2.077 5.243 -5.047 1.00 0.00 C ATOM 160 CE1 TYR A 13 -3.124 3.423 -6.911 1.00 0.00 C ATOM 161 CE2 TYR A 13 -1.244 4.706 -6.046 1.00 0.00 C ATOM 162 CZ TYR A 13 -1.760 3.779 -6.979 1.00 0.00 C ATOM 163 OH TYR A 13 -0.936 3.157 -7.870 1.00 0.00 O ATOM 0 H TYR A 13 -5.977 6.643 -5.210 1.00 0.00 H new ATOM 0 HA TYR A 13 -5.890 4.099 -3.785 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -4.185 6.583 -3.951 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -3.812 5.213 -2.924 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -5.005 3.719 -5.898 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.667 5.931 -4.322 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -3.529 2.715 -7.618 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.207 5.003 -6.100 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.030 3.521 -7.787 1.00 0.00 H new ATOM 173 N ASP A 14 -7.221 4.949 -1.764 1.00 0.00 N ATOM 174 CA ASP A 14 -7.601 5.283 -0.391 1.00 0.00 C ATOM 175 C ASP A 14 -6.435 4.951 0.518 1.00 0.00 C ATOM 176 O ASP A 14 -5.832 3.878 0.402 1.00 0.00 O ATOM 177 CB ASP A 14 -8.856 4.564 0.133 1.00 0.00 C ATOM 178 CG ASP A 14 -9.156 5.092 1.537 1.00 0.00 C ATOM 179 OD1 ASP A 14 -9.478 6.297 1.654 1.00 0.00 O ATOM 180 OD2 ASP A 14 -8.998 4.334 2.521 1.00 0.00 O ATOM 0 H ASP A 14 -7.660 4.110 -2.142 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.849 6.344 -0.394 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -9.702 4.744 -0.530 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.694 3.486 0.158 1.00 0.00 H new ATOM 185 N LYS A 15 -6.105 5.872 1.417 1.00 0.00 N ATOM 186 CA LYS A 15 -4.937 5.717 2.266 1.00 0.00 C ATOM 187 C LYS A 15 -5.203 4.935 3.533 1.00 0.00 C ATOM 188 O LYS A 15 -4.241 4.514 4.174 1.00 0.00 O ATOM 189 CB LYS A 15 -4.401 7.110 2.610 1.00 0.00 C ATOM 190 CG LYS A 15 -3.448 7.595 1.514 1.00 0.00 C ATOM 191 CD LYS A 15 -1.974 7.575 1.960 1.00 0.00 C ATOM 192 CE LYS A 15 -1.511 8.888 2.602 1.00 0.00 C ATOM 193 NZ LYS A 15 -2.118 9.137 3.923 1.00 0.00 N ATOM 0 H LYS A 15 -6.631 6.732 1.574 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.202 5.135 1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.229 7.810 2.718 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -3.881 7.081 3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.565 6.966 0.631 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.722 8.609 1.222 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.829 6.761 2.671 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.344 7.360 1.097 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.426 8.871 2.706 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -1.755 9.716 1.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.482 9.732 4.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.029 9.623 3.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -2.272 8.231 4.411 1.00 0.00 H new ATOM 207 N GLU A 16 -6.460 4.774 3.926 1.00 0.00 N ATOM 208 CA GLU A 16 -6.801 4.629 5.332 1.00 0.00 C ATOM 209 C GLU A 16 -7.334 3.236 5.637 1.00 0.00 C ATOM 210 O GLU A 16 -7.170 2.764 6.763 1.00 0.00 O ATOM 211 CB GLU A 16 -7.766 5.755 5.743 1.00 0.00 C ATOM 212 CG GLU A 16 -7.173 7.124 5.374 1.00 0.00 C ATOM 213 CD GLU A 16 -7.915 8.298 5.999 1.00 0.00 C ATOM 214 OE1 GLU A 16 -8.941 8.757 5.445 1.00 0.00 O ATOM 215 OE2 GLU A 16 -7.366 8.864 6.972 1.00 0.00 O ATOM 0 H GLU A 16 -7.258 4.741 3.291 1.00 0.00 H new ATOM 0 HA GLU A 16 -5.900 4.730 5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.726 5.620 5.245 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -7.954 5.709 6.816 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -6.130 7.155 5.688 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -7.183 7.235 4.290 1.00 0.00 H new ATOM 222 N LYS A 17 -7.885 2.561 4.628 1.00 0.00 N ATOM 223 CA LYS A 17 -8.326 1.179 4.708 1.00 0.00 C ATOM 224 C LYS A 17 -7.202 0.222 4.305 1.00 0.00 C ATOM 225 O LYS A 17 -6.343 0.577 3.490 1.00 0.00 O ATOM 226 CB LYS A 17 -9.585 1.045 3.847 1.00 0.00 C ATOM 227 CG LYS A 17 -9.329 0.704 2.380 1.00 0.00 C ATOM 228 CD LYS A 17 -10.535 0.993 1.477 1.00 0.00 C ATOM 229 CE LYS A 17 -11.871 0.430 2.004 1.00 0.00 C ATOM 230 NZ LYS A 17 -12.969 1.410 1.859 1.00 0.00 N ATOM 0 H LYS A 17 -8.039 2.977 3.709 1.00 0.00 H new ATOM 0 HA LYS A 17 -8.577 0.902 5.732 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -10.222 0.273 4.278 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -10.142 1.981 3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -8.471 1.275 2.025 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -9.066 -0.351 2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -10.632 2.072 1.354 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.343 0.575 0.489 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -12.122 -0.481 1.461 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -11.763 0.157 3.054 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -13.852 0.998 2.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -12.740 2.270 2.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.088 1.652 0.855 1.00 0.00 H new ATOM 244 N LEU A 18 -7.190 -0.991 4.860 1.00 0.00 N ATOM 245 CA LEU A 18 -6.156 -1.974 4.639 1.00 0.00 C ATOM 246 C LEU A 18 -6.389 -2.663 3.301 1.00 0.00 C ATOM 247 O LEU A 18 -7.232 -3.550 3.194 1.00 0.00 O ATOM 248 CB LEU A 18 -6.151 -2.974 5.803 1.00 0.00 C ATOM 249 CG LEU A 18 -6.223 -2.374 7.219 1.00 0.00 C ATOM 250 CD1 LEU A 18 -5.216 -1.254 7.464 1.00 0.00 C ATOM 251 CD2 LEU A 18 -7.603 -1.893 7.661 1.00 0.00 C ATOM 0 H LEU A 18 -7.924 -1.315 5.491 1.00 0.00 H new ATOM 0 HA LEU A 18 -5.177 -1.496 4.602 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -6.995 -3.652 5.675 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -5.245 -3.576 5.732 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.965 -3.237 7.833 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -5.327 -0.881 8.482 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -4.205 -1.637 7.326 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.396 -0.442 6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -7.541 -1.489 8.672 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -7.953 -1.116 6.981 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.302 -2.729 7.647 1.00 0.00 H new ATOM 263 N ASN A 19 -5.660 -2.241 2.268 1.00 0.00 N ATOM 264 CA ASN A 19 -5.962 -2.634 0.886 1.00 0.00 C ATOM 265 C ASN A 19 -4.731 -2.980 0.051 1.00 0.00 C ATOM 266 O ASN A 19 -4.859 -3.214 -1.151 1.00 0.00 O ATOM 267 CB ASN A 19 -6.824 -1.548 0.221 1.00 0.00 C ATOM 268 CG ASN A 19 -8.215 -2.099 -0.054 1.00 0.00 C ATOM 269 OD1 ASN A 19 -9.000 -2.309 0.864 1.00 0.00 O ATOM 270 ND2 ASN A 19 -8.554 -2.327 -1.304 1.00 0.00 N ATOM 0 H ASN A 19 -4.853 -1.625 2.360 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.525 -3.566 0.933 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -6.889 -0.674 0.869 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.361 -1.221 -0.710 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -9.484 -2.685 -1.523 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.887 -2.146 -2.054 1.00 0.00 H new ATOM 277 N TRP A 20 -3.546 -3.028 0.668 1.00 0.00 N ATOM 278 CA TRP A 20 -2.276 -3.227 -0.020 1.00 0.00 C ATOM 279 C TRP A 20 -1.511 -4.359 0.651 1.00 0.00 C ATOM 280 O TRP A 20 -1.356 -4.355 1.875 1.00 0.00 O ATOM 281 CB TRP A 20 -1.495 -1.913 0.004 1.00 0.00 C ATOM 282 CG TRP A 20 -2.152 -0.828 -0.783 1.00 0.00 C ATOM 283 CD1 TRP A 20 -3.134 -0.003 -0.352 1.00 0.00 C ATOM 284 CD2 TRP A 20 -1.914 -0.486 -2.173 1.00 0.00 C ATOM 285 NE1 TRP A 20 -3.569 0.774 -1.412 1.00 0.00 N ATOM 286 CE2 TRP A 20 -2.790 0.575 -2.537 1.00 0.00 C ATOM 287 CE3 TRP A 20 -1.033 -0.976 -3.156 1.00 0.00 C ATOM 288 CZ2 TRP A 20 -2.749 1.162 -3.810 1.00 0.00 C ATOM 289 CZ3 TRP A 20 -0.994 -0.408 -4.442 1.00 0.00 C ATOM 290 CH2 TRP A 20 -1.839 0.670 -4.764 1.00 0.00 C ATOM 0 H TRP A 20 -3.446 -2.927 1.678 1.00 0.00 H new ATOM 0 HA TRP A 20 -2.436 -3.510 -1.061 1.00 0.00 H new ATOM 0 HB2 TRP A 20 -1.378 -1.585 1.037 1.00 0.00 H new ATOM 0 HB3 TRP A 20 -0.494 -2.085 -0.391 1.00 0.00 H new ATOM 0 HD1 TRP A 20 -3.517 0.042 0.657 1.00 0.00 H new ATOM 0 HE1 TRP A 20 -4.363 1.412 -1.369 1.00 0.00 H new ATOM 0 HE3 TRP A 20 -0.377 -1.801 -2.919 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 -3.408 1.982 -4.055 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 -0.314 -0.800 -5.184 1.00 0.00 H new ATOM 0 HH2 TRP A 20 -1.789 1.120 -5.744 1.00 0.00 H new ATOM 301 N LEU A 21 -1.040 -5.321 -0.134 1.00 0.00 N ATOM 302 CA LEU A 21 -0.388 -6.561 0.278 1.00 0.00 C ATOM 303 C LEU A 21 1.093 -6.513 -0.096 1.00 0.00 C ATOM 304 O LEU A 21 1.463 -5.820 -1.052 1.00 0.00 O ATOM 305 CB LEU A 21 -1.032 -7.724 -0.493 1.00 0.00 C ATOM 306 CG LEU A 21 -2.527 -7.963 -0.216 1.00 0.00 C ATOM 307 CD1 LEU A 21 -3.071 -8.896 -1.291 1.00 0.00 C ATOM 308 CD2 LEU A 21 -2.751 -8.578 1.169 1.00 0.00 C ATOM 0 H LEU A 21 -1.108 -5.251 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 21 -0.496 -6.691 1.355 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.904 -7.543 -1.560 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -0.487 -8.638 -0.257 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.049 -7.006 -0.237 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.131 -9.078 -1.112 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.942 -8.436 -2.271 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -2.530 -9.842 -1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -3.818 -8.733 1.330 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.232 -9.535 1.231 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.363 -7.905 1.933 1.00 0.00 H new ATOM 320 N TYR A 22 1.925 -7.302 0.594 1.00 0.00 N ATOM 321 CA TYR A 22 3.341 -7.431 0.265 1.00 0.00 C ATOM 322 C TYR A 22 3.855 -8.832 0.609 1.00 0.00 C ATOM 323 O TYR A 22 3.364 -9.455 1.549 1.00 0.00 O ATOM 324 CB TYR A 22 4.131 -6.316 0.974 1.00 0.00 C ATOM 325 CG TYR A 22 4.552 -6.547 2.413 1.00 0.00 C ATOM 326 CD1 TYR A 22 5.689 -7.327 2.668 1.00 0.00 C ATOM 327 CD2 TYR A 22 3.915 -5.883 3.482 1.00 0.00 C ATOM 328 CE1 TYR A 22 6.153 -7.497 3.974 1.00 0.00 C ATOM 329 CE2 TYR A 22 4.407 -6.015 4.797 1.00 0.00 C ATOM 330 CZ TYR A 22 5.516 -6.855 5.049 1.00 0.00 C ATOM 331 OH TYR A 22 5.986 -7.055 6.309 1.00 0.00 O ATOM 0 H TYR A 22 1.633 -7.865 1.393 1.00 0.00 H new ATOM 0 HA TYR A 22 3.484 -7.311 -0.809 1.00 0.00 H new ATOM 0 HB2 TYR A 22 5.030 -6.121 0.390 1.00 0.00 H new ATOM 0 HB3 TYR A 22 3.528 -5.408 0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 22 6.210 -7.800 1.848 1.00 0.00 H new ATOM 0 HD2 TYR A 22 3.046 -5.270 3.292 1.00 0.00 H new ATOM 0 HE1 TYR A 22 7.010 -8.128 4.159 1.00 0.00 H new ATOM 0 HE2 TYR A 22 3.939 -5.477 5.608 1.00 0.00 H new ATOM 0 HH TYR A 22 6.622 -7.800 6.306 1.00 0.00 H new ATOM 341 N LYS A 23 4.860 -9.325 -0.120 1.00 0.00 N ATOM 342 CA LYS A 23 5.621 -10.538 0.182 1.00 0.00 C ATOM 343 C LYS A 23 6.800 -10.142 1.058 1.00 0.00 C ATOM 344 O LYS A 23 7.667 -9.373 0.628 1.00 0.00 O ATOM 345 CB LYS A 23 6.144 -11.204 -1.103 1.00 0.00 C ATOM 346 CG LYS A 23 6.049 -12.731 -1.030 1.00 0.00 C ATOM 347 CD LYS A 23 7.062 -13.361 -1.992 1.00 0.00 C ATOM 348 CE LYS A 23 6.730 -14.831 -2.230 1.00 0.00 C ATOM 349 NZ LYS A 23 7.628 -15.470 -3.219 1.00 0.00 N ATOM 0 H LYS A 23 5.179 -8.868 -0.975 1.00 0.00 H new ATOM 0 HA LYS A 23 4.973 -11.253 0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.571 -10.844 -1.958 1.00 0.00 H new ATOM 0 HB3 LYS A 23 7.181 -10.912 -1.268 1.00 0.00 H new ATOM 0 HG2 LYS A 23 6.242 -13.068 -0.012 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.040 -13.054 -1.287 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.056 -12.823 -2.940 1.00 0.00 H new ATOM 0 HD3 LYS A 23 8.067 -13.271 -1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.795 -15.371 -1.285 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.699 -14.915 -2.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.357 -16.467 -3.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.549 -14.975 -4.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 8.610 -15.417 -2.881 1.00 0.00 H new ATOM 363 N ASP A 24 6.819 -10.599 2.298 1.00 0.00 N ATOM 364 CA ASP A 24 7.963 -10.390 3.186 1.00 0.00 C ATOM 365 C ASP A 24 9.150 -11.204 2.657 1.00 0.00 C ATOM 366 O ASP A 24 8.953 -12.136 1.873 1.00 0.00 O ATOM 367 CB ASP A 24 7.580 -10.836 4.605 1.00 0.00 C ATOM 368 CG ASP A 24 8.184 -10.164 5.838 1.00 0.00 C ATOM 369 OD1 ASP A 24 7.879 -8.985 6.124 1.00 0.00 O ATOM 370 OD2 ASP A 24 8.898 -10.875 6.574 1.00 0.00 O ATOM 0 H ASP A 24 6.052 -11.122 2.721 1.00 0.00 H new ATOM 0 HA ASP A 24 8.244 -9.337 3.217 1.00 0.00 H new ATOM 0 HB2 ASP A 24 6.498 -10.738 4.688 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.810 -11.899 4.677 1.00 0.00 H new ATOM 375 N PRO A 25 10.377 -10.934 3.116 1.00 0.00 N ATOM 376 CA PRO A 25 11.563 -11.724 2.825 1.00 0.00 C ATOM 377 C PRO A 25 11.409 -13.188 3.254 1.00 0.00 C ATOM 378 O PRO A 25 12.101 -14.043 2.702 1.00 0.00 O ATOM 379 CB PRO A 25 12.705 -11.056 3.602 1.00 0.00 C ATOM 380 CG PRO A 25 12.195 -9.645 3.882 1.00 0.00 C ATOM 381 CD PRO A 25 10.697 -9.881 4.038 1.00 0.00 C ATOM 0 HA PRO A 25 11.750 -11.750 1.751 1.00 0.00 H new ATOM 0 HB2 PRO A 25 12.924 -11.591 4.526 1.00 0.00 H new ATOM 0 HB3 PRO A 25 13.626 -11.038 3.019 1.00 0.00 H new ATOM 0 HG2 PRO A 25 12.638 -9.221 4.783 1.00 0.00 H new ATOM 0 HG3 PRO A 25 12.418 -8.960 3.064 1.00 0.00 H new ATOM 0 HD2 PRO A 25 10.449 -10.166 5.060 1.00 0.00 H new ATOM 0 HD3 PRO A 25 10.132 -8.977 3.813 1.00 0.00 H new ATOM 389 N GLN A 26 10.521 -13.493 4.208 1.00 0.00 N ATOM 390 CA GLN A 26 10.183 -14.859 4.593 1.00 0.00 C ATOM 391 C GLN A 26 9.268 -15.567 3.575 1.00 0.00 C ATOM 392 O GLN A 26 8.992 -16.751 3.734 1.00 0.00 O ATOM 393 CB GLN A 26 9.489 -14.855 5.959 1.00 0.00 C ATOM 394 CG GLN A 26 10.332 -14.360 7.141 1.00 0.00 C ATOM 395 CD GLN A 26 9.639 -14.658 8.475 1.00 0.00 C ATOM 396 OE1 GLN A 26 8.932 -15.660 8.622 1.00 0.00 O ATOM 397 NE2 GLN A 26 9.803 -13.818 9.479 1.00 0.00 N ATOM 0 H GLN A 26 10.013 -12.785 4.738 1.00 0.00 H new ATOM 0 HA GLN A 26 11.122 -15.411 4.631 1.00 0.00 H new ATOM 0 HB2 GLN A 26 8.597 -14.233 5.889 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.154 -15.869 6.177 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.310 -14.840 7.120 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.501 -13.287 7.047 1.00 0.00 H new ATOM 0 HE21 GLN A 26 10.386 -12.990 9.361 1.00 0.00 H new ATOM 0 HE22 GLN A 26 9.347 -13.997 10.373 1.00 0.00 H new ATOM 406 N GLY A 27 8.749 -14.870 2.560 1.00 0.00 N ATOM 407 CA GLY A 27 7.874 -15.430 1.534 1.00 0.00 C ATOM 408 C GLY A 27 6.396 -15.405 1.919 1.00 0.00 C ATOM 409 O GLY A 27 5.535 -15.650 1.068 1.00 0.00 O ATOM 0 H GLY A 27 8.932 -13.875 2.429 1.00 0.00 H new ATOM 0 HA2 GLY A 27 8.010 -14.873 0.607 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.173 -16.459 1.334 1.00 0.00 H new ATOM 413 N LEU A 28 6.080 -15.078 3.173 1.00 0.00 N ATOM 414 CA LEU A 28 4.728 -14.837 3.660 1.00 0.00 C ATOM 415 C LEU A 28 4.181 -13.617 2.927 1.00 0.00 C ATOM 416 O LEU A 28 4.827 -12.567 2.931 1.00 0.00 O ATOM 417 CB LEU A 28 4.739 -14.542 5.172 1.00 0.00 C ATOM 418 CG LEU A 28 4.854 -15.723 6.153 1.00 0.00 C ATOM 419 CD1 LEU A 28 3.656 -16.660 6.071 1.00 0.00 C ATOM 420 CD2 LEU A 28 6.147 -16.516 5.991 1.00 0.00 C ATOM 0 H LEU A 28 6.787 -14.971 3.901 1.00 0.00 H new ATOM 0 HA LEU A 28 4.113 -15.719 3.482 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.569 -13.865 5.371 1.00 0.00 H new ATOM 0 HB3 LEU A 28 3.823 -14.002 5.410 1.00 0.00 H new ATOM 0 HG LEU A 28 4.871 -15.266 7.143 1.00 0.00 H new ATOM 0 HD11 LEU A 28 3.784 -17.477 6.781 1.00 0.00 H new ATOM 0 HD12 LEU A 28 2.746 -16.109 6.311 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.580 -17.065 5.062 1.00 0.00 H new ATOM 0 HD21 LEU A 28 6.165 -17.334 6.712 1.00 0.00 H new ATOM 0 HD22 LEU A 28 6.201 -16.922 4.981 1.00 0.00 H new ATOM 0 HD23 LEU A 28 7.000 -15.860 6.165 1.00 0.00 H new ATOM 432 N VAL A 29 3.006 -13.734 2.312 1.00 0.00 N ATOM 433 CA VAL A 29 2.236 -12.558 1.932 1.00 0.00 C ATOM 434 C VAL A 29 1.621 -12.030 3.225 1.00 0.00 C ATOM 435 O VAL A 29 0.822 -12.727 3.856 1.00 0.00 O ATOM 436 CB VAL A 29 1.201 -12.885 0.841 1.00 0.00 C ATOM 437 CG1 VAL A 29 0.356 -11.654 0.476 1.00 0.00 C ATOM 438 CG2 VAL A 29 1.939 -13.370 -0.419 1.00 0.00 C ATOM 0 H VAL A 29 2.572 -14.624 2.069 1.00 0.00 H new ATOM 0 HA VAL A 29 2.860 -11.789 1.476 1.00 0.00 H new ATOM 0 HB VAL A 29 0.535 -13.657 1.225 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -0.364 -11.923 -0.297 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -0.176 -11.303 1.360 1.00 0.00 H new ATOM 0 HG13 VAL A 29 1.007 -10.862 0.106 1.00 0.00 H new ATOM 0 HG21 VAL A 29 1.214 -13.604 -1.198 1.00 0.00 H new ATOM 0 HG22 VAL A 29 2.610 -12.587 -0.772 1.00 0.00 H new ATOM 0 HG23 VAL A 29 2.517 -14.263 -0.181 1.00 0.00 H new ATOM 448 N GLN A 30 2.056 -10.849 3.653 1.00 0.00 N ATOM 449 CA GLN A 30 1.564 -10.190 4.850 1.00 0.00 C ATOM 450 C GLN A 30 0.436 -9.234 4.475 1.00 0.00 C ATOM 451 O GLN A 30 0.255 -8.877 3.303 1.00 0.00 O ATOM 452 CB GLN A 30 2.693 -9.402 5.546 1.00 0.00 C ATOM 453 CG GLN A 30 4.020 -10.154 5.749 1.00 0.00 C ATOM 454 CD GLN A 30 3.949 -11.394 6.644 1.00 0.00 C ATOM 455 OE1 GLN A 30 2.883 -11.901 6.968 1.00 0.00 O ATOM 456 NE2 GLN A 30 5.080 -11.930 7.075 1.00 0.00 N ATOM 0 H GLN A 30 2.775 -10.315 3.165 1.00 0.00 H new ATOM 0 HA GLN A 30 1.196 -10.951 5.538 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.894 -8.504 4.962 1.00 0.00 H new ATOM 0 HB3 GLN A 30 2.332 -9.075 6.521 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.399 -10.454 4.772 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.747 -9.462 6.174 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.974 -11.516 6.811 1.00 0.00 H new ATOM 0 HE22 GLN A 30 5.058 -12.757 7.671 1.00 0.00 H new ATOM 465 N GLY A 31 -0.258 -8.742 5.499 1.00 0.00 N ATOM 466 CA GLY A 31 -1.229 -7.682 5.327 1.00 0.00 C ATOM 467 C GLY A 31 -2.600 -8.231 4.951 1.00 0.00 C ATOM 468 O GLY A 31 -2.850 -9.433 5.091 1.00 0.00 O ATOM 0 H GLY A 31 -0.159 -9.068 6.460 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.308 -7.107 6.250 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.886 -6.996 4.552 1.00 0.00 H new ATOM 472 N PRO A 32 -3.500 -7.367 4.467 1.00 0.00 N ATOM 473 CA PRO A 32 -3.182 -6.072 3.884 1.00 0.00 C ATOM 474 C PRO A 32 -2.898 -4.998 4.935 1.00 0.00 C ATOM 475 O PRO A 32 -3.152 -5.181 6.122 1.00 0.00 O ATOM 476 CB PRO A 32 -4.401 -5.740 3.029 1.00 0.00 C ATOM 477 CG PRO A 32 -5.547 -6.360 3.823 1.00 0.00 C ATOM 478 CD PRO A 32 -4.915 -7.647 4.347 1.00 0.00 C ATOM 0 HA PRO A 32 -2.262 -6.105 3.301 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -4.529 -4.664 2.906 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -4.323 -6.168 2.029 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -5.880 -5.711 4.633 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -6.416 -6.559 3.196 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -5.341 -7.929 5.310 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -5.093 -8.477 3.664 1.00 0.00 H new ATOM 486 N PHE A 33 -2.387 -3.859 4.475 1.00 0.00 N ATOM 487 CA PHE A 33 -2.123 -2.680 5.281 1.00 0.00 C ATOM 488 C PHE A 33 -2.656 -1.445 4.557 1.00 0.00 C ATOM 489 O PHE A 33 -2.938 -1.485 3.351 1.00 0.00 O ATOM 490 CB PHE A 33 -0.620 -2.562 5.561 1.00 0.00 C ATOM 491 CG PHE A 33 -0.011 -3.786 6.212 1.00 0.00 C ATOM 492 CD1 PHE A 33 -0.250 -4.030 7.575 1.00 0.00 C ATOM 493 CD2 PHE A 33 0.752 -4.701 5.460 1.00 0.00 C ATOM 494 CE1 PHE A 33 0.251 -5.202 8.175 1.00 0.00 C ATOM 495 CE2 PHE A 33 1.275 -5.849 6.071 1.00 0.00 C ATOM 496 CZ PHE A 33 1.030 -6.103 7.428 1.00 0.00 C ATOM 0 H PHE A 33 -2.138 -3.732 3.494 1.00 0.00 H new ATOM 0 HA PHE A 33 -2.633 -2.764 6.241 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -0.101 -2.368 4.622 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -0.449 -1.699 6.204 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -0.816 -3.321 8.161 1.00 0.00 H new ATOM 0 HD2 PHE A 33 0.934 -4.518 4.411 1.00 0.00 H new ATOM 0 HE1 PHE A 33 0.036 -5.409 9.213 1.00 0.00 H new ATOM 0 HE2 PHE A 33 1.870 -6.541 5.494 1.00 0.00 H new ATOM 0 HZ PHE A 33 1.438 -6.986 7.897 1.00 0.00 H new ATOM 506 N SER A 34 -2.828 -0.350 5.295 1.00 0.00 N ATOM 507 CA SER A 34 -3.219 0.944 4.762 1.00 0.00 C ATOM 508 C SER A 34 -1.986 1.637 4.190 1.00 0.00 C ATOM 509 O SER A 34 -0.881 1.444 4.701 1.00 0.00 O ATOM 510 CB SER A 34 -3.896 1.778 5.863 1.00 0.00 C ATOM 511 OG SER A 34 -3.419 1.479 7.163 1.00 0.00 O ATOM 0 H SER A 34 -2.695 -0.343 6.306 1.00 0.00 H new ATOM 0 HA SER A 34 -3.944 0.824 3.957 1.00 0.00 H new ATOM 0 HB2 SER A 34 -3.735 2.837 5.659 1.00 0.00 H new ATOM 0 HB3 SER A 34 -4.972 1.607 5.830 1.00 0.00 H new ATOM 0 HG SER A 34 -3.884 2.040 7.819 1.00 0.00 H new ATOM 517 N LEU A 35 -2.156 2.498 3.179 1.00 0.00 N ATOM 518 CA LEU A 35 -1.023 3.266 2.661 1.00 0.00 C ATOM 519 C LEU A 35 -0.470 4.191 3.741 1.00 0.00 C ATOM 520 O LEU A 35 0.731 4.428 3.760 1.00 0.00 O ATOM 521 CB LEU A 35 -1.374 4.099 1.423 1.00 0.00 C ATOM 522 CG LEU A 35 -1.620 3.279 0.152 1.00 0.00 C ATOM 523 CD1 LEU A 35 -2.203 4.176 -0.940 1.00 0.00 C ATOM 524 CD2 LEU A 35 -0.323 2.657 -0.365 1.00 0.00 C ATOM 0 H LEU A 35 -3.046 2.676 2.714 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.272 2.534 2.363 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.266 4.688 1.638 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.564 4.804 1.234 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.320 2.482 0.401 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -2.376 3.587 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -3.147 4.600 -0.597 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -1.503 4.981 -1.162 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -0.530 2.082 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 35 0.393 3.446 -0.594 1.00 0.00 H new ATOM 0 HD23 LEU A 35 0.094 1.999 0.397 1.00 0.00 H new ATOM 536 N THR A 36 -1.303 4.685 4.659 1.00 0.00 N ATOM 537 CA THR A 36 -0.839 5.423 5.824 1.00 0.00 C ATOM 538 C THR A 36 0.117 4.580 6.668 1.00 0.00 C ATOM 539 O THR A 36 1.156 5.101 7.082 1.00 0.00 O ATOM 540 CB THR A 36 -2.057 5.885 6.631 1.00 0.00 C ATOM 541 OG1 THR A 36 -2.775 6.793 5.813 1.00 0.00 O ATOM 542 CG2 THR A 36 -1.680 6.559 7.947 1.00 0.00 C ATOM 0 H THR A 36 -2.317 4.582 4.611 1.00 0.00 H new ATOM 0 HA THR A 36 -0.274 6.298 5.503 1.00 0.00 H new ATOM 0 HB THR A 36 -2.654 5.014 6.900 1.00 0.00 H new ATOM 0 HG1 THR A 36 -3.567 7.112 6.295 1.00 0.00 H new ATOM 0 HG21 THR A 36 -2.585 6.864 8.472 1.00 0.00 H new ATOM 0 HG22 THR A 36 -1.119 5.859 8.567 1.00 0.00 H new ATOM 0 HG23 THR A 36 -1.066 7.436 7.744 1.00 0.00 H new ATOM 550 N GLN A 37 -0.214 3.309 6.938 1.00 0.00 N ATOM 551 CA GLN A 37 0.664 2.471 7.738 1.00 0.00 C ATOM 552 C GLN A 37 1.955 2.183 6.967 1.00 0.00 C ATOM 553 O GLN A 37 3.034 2.262 7.547 1.00 0.00 O ATOM 554 CB GLN A 37 -0.023 1.173 8.207 1.00 0.00 C ATOM 555 CG GLN A 37 -0.999 1.435 9.357 1.00 0.00 C ATOM 556 CD GLN A 37 -1.585 0.129 9.886 1.00 0.00 C ATOM 557 OE1 GLN A 37 -0.984 -0.549 10.720 1.00 0.00 O ATOM 558 NE2 GLN A 37 -2.757 -0.255 9.421 1.00 0.00 N ATOM 0 H GLN A 37 -1.068 2.854 6.617 1.00 0.00 H new ATOM 0 HA GLN A 37 0.914 3.020 8.646 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.558 0.721 7.371 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.733 0.456 8.527 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -0.485 1.960 10.162 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -1.803 2.086 9.015 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -3.244 0.316 8.730 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -3.177 -1.124 9.752 1.00 0.00 H new ATOM 567 N LEU A 38 1.865 1.892 5.665 1.00 0.00 N ATOM 568 CA LEU A 38 3.023 1.570 4.834 1.00 0.00 C ATOM 569 C LEU A 38 3.941 2.787 4.703 1.00 0.00 C ATOM 570 O LEU A 38 5.153 2.649 4.834 1.00 0.00 O ATOM 571 CB LEU A 38 2.570 1.098 3.440 1.00 0.00 C ATOM 572 CG LEU A 38 1.830 -0.254 3.444 1.00 0.00 C ATOM 573 CD1 LEU A 38 1.120 -0.469 2.106 1.00 0.00 C ATOM 574 CD2 LEU A 38 2.782 -1.428 3.700 1.00 0.00 C ATOM 0 H LEU A 38 0.980 1.874 5.158 1.00 0.00 H new ATOM 0 HA LEU A 38 3.577 0.763 5.314 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.918 1.856 3.006 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.444 1.020 2.793 1.00 0.00 H new ATOM 0 HG LEU A 38 1.103 -0.221 4.255 1.00 0.00 H new ATOM 0 HD11 LEU A 38 0.600 -1.427 2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 38 0.399 0.332 1.944 1.00 0.00 H new ATOM 0 HD13 LEU A 38 1.854 -0.466 1.300 1.00 0.00 H new ATOM 0 HD21 LEU A 38 2.219 -2.361 3.694 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.541 -1.458 2.918 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.264 -1.301 4.669 1.00 0.00 H new ATOM 586 N LYS A 39 3.388 3.987 4.483 1.00 0.00 N ATOM 587 CA LYS A 39 4.144 5.236 4.528 1.00 0.00 C ATOM 588 C LYS A 39 4.859 5.352 5.864 1.00 0.00 C ATOM 589 O LYS A 39 6.075 5.527 5.879 1.00 0.00 O ATOM 590 CB LYS A 39 3.276 6.450 4.236 1.00 0.00 C ATOM 591 CG LYS A 39 4.189 7.688 4.301 1.00 0.00 C ATOM 592 CD LYS A 39 3.644 8.790 3.412 1.00 0.00 C ATOM 593 CE LYS A 39 4.300 10.121 3.793 1.00 0.00 C ATOM 594 NZ LYS A 39 3.783 11.259 3.012 1.00 0.00 N ATOM 0 H LYS A 39 2.399 4.114 4.268 1.00 0.00 H new ATOM 0 HA LYS A 39 4.891 5.212 3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 39 2.813 6.365 3.253 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.468 6.529 4.963 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.260 8.042 5.329 1.00 0.00 H new ATOM 0 HG3 LYS A 39 5.198 7.422 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.843 8.560 2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.562 8.860 3.523 1.00 0.00 H new ATOM 0 HE2 LYS A 39 4.136 10.311 4.854 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.377 10.045 3.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 4.262 12.132 3.312 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 3.962 11.096 2.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 2.760 11.353 3.172 1.00 0.00 H new ATOM 608 N ALA A 40 4.127 5.225 6.973 1.00 0.00 N ATOM 609 CA ALA A 40 4.710 5.379 8.293 1.00 0.00 C ATOM 610 C ALA A 40 5.808 4.341 8.555 1.00 0.00 C ATOM 611 O ALA A 40 6.733 4.622 9.313 1.00 0.00 O ATOM 612 CB ALA A 40 3.624 5.298 9.369 1.00 0.00 C ATOM 0 H ALA A 40 3.129 5.016 6.975 1.00 0.00 H new ATOM 0 HA ALA A 40 5.175 6.364 8.335 1.00 0.00 H new ATOM 0 HB1 ALA A 40 4.077 5.415 10.353 1.00 0.00 H new ATOM 0 HB2 ALA A 40 2.894 6.091 9.209 1.00 0.00 H new ATOM 0 HB3 ALA A 40 3.127 4.330 9.312 1.00 0.00 H new ATOM 618 N TRP A 41 5.749 3.160 7.939 1.00 0.00 N ATOM 619 CA TRP A 41 6.768 2.138 8.089 1.00 0.00 C ATOM 620 C TRP A 41 7.959 2.337 7.151 1.00 0.00 C ATOM 621 O TRP A 41 9.073 2.005 7.538 1.00 0.00 O ATOM 622 CB TRP A 41 6.120 0.770 7.896 1.00 0.00 C ATOM 623 CG TRP A 41 5.218 0.292 8.995 1.00 0.00 C ATOM 624 CD1 TRP A 41 5.009 0.849 10.214 1.00 0.00 C ATOM 625 CD2 TRP A 41 4.423 -0.921 8.980 1.00 0.00 C ATOM 626 NE1 TRP A 41 4.111 0.074 10.925 1.00 0.00 N ATOM 627 CE2 TRP A 41 3.666 -0.995 10.181 1.00 0.00 C ATOM 628 CE3 TRP A 41 4.271 -1.964 8.049 1.00 0.00 C ATOM 629 CZ2 TRP A 41 2.733 -2.013 10.410 1.00 0.00 C ATOM 630 CZ3 TRP A 41 3.359 -3.013 8.275 1.00 0.00 C ATOM 631 CH2 TRP A 41 2.568 -3.014 9.438 1.00 0.00 C ATOM 0 H TRP A 41 4.985 2.890 7.319 1.00 0.00 H new ATOM 0 HA TRP A 41 7.183 2.212 9.094 1.00 0.00 H new ATOM 0 HB2 TRP A 41 5.546 0.793 6.970 1.00 0.00 H new ATOM 0 HB3 TRP A 41 6.912 0.034 7.761 1.00 0.00 H new ATOM 0 HD1 TRP A 41 5.472 1.756 10.573 1.00 0.00 H new ATOM 0 HE1 TRP A 41 3.815 0.270 11.881 1.00 0.00 H new ATOM 0 HE3 TRP A 41 4.863 -1.960 7.146 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 2.150 -2.029 11.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 3.267 -3.815 7.557 1.00 0.00 H new ATOM 0 HH2 TRP A 41 1.830 -3.788 9.585 1.00 0.00 H new ATOM 642 N SER A 42 7.768 2.920 5.966 1.00 0.00 N ATOM 643 CA SER A 42 8.862 3.419 5.139 1.00 0.00 C ATOM 644 C SER A 42 9.608 4.505 5.917 1.00 0.00 C ATOM 645 O SER A 42 10.833 4.477 6.008 1.00 0.00 O ATOM 646 CB SER A 42 8.283 3.932 3.812 1.00 0.00 C ATOM 647 OG SER A 42 9.227 4.630 3.025 1.00 0.00 O ATOM 0 H SER A 42 6.845 3.059 5.554 1.00 0.00 H new ATOM 0 HA SER A 42 9.578 2.632 4.902 1.00 0.00 H new ATOM 0 HB2 SER A 42 7.897 3.088 3.241 1.00 0.00 H new ATOM 0 HB3 SER A 42 7.438 4.588 4.021 1.00 0.00 H new ATOM 0 HG SER A 42 9.010 4.516 2.076 1.00 0.00 H new ATOM 653 N ASP A 43 8.854 5.438 6.494 1.00 0.00 N ATOM 654 CA ASP A 43 9.321 6.540 7.325 1.00 0.00 C ATOM 655 C ASP A 43 10.097 6.001 8.539 1.00 0.00 C ATOM 656 O ASP A 43 11.170 6.509 8.849 1.00 0.00 O ATOM 657 CB ASP A 43 8.071 7.365 7.664 1.00 0.00 C ATOM 658 CG ASP A 43 8.273 8.568 8.576 1.00 0.00 C ATOM 659 OD1 ASP A 43 8.310 8.363 9.811 1.00 0.00 O ATOM 660 OD2 ASP A 43 8.145 9.711 8.086 1.00 0.00 O ATOM 0 H ASP A 43 7.840 5.443 6.386 1.00 0.00 H new ATOM 0 HA ASP A 43 10.039 7.189 6.824 1.00 0.00 H new ATOM 0 HB2 ASP A 43 7.631 7.716 6.730 1.00 0.00 H new ATOM 0 HB3 ASP A 43 7.342 6.702 8.131 1.00 0.00 H new ATOM 665 N ALA A 44 9.624 4.908 9.153 1.00 0.00 N ATOM 666 CA ALA A 44 10.286 4.165 10.232 1.00 0.00 C ATOM 667 C ALA A 44 11.335 3.142 9.745 1.00 0.00 C ATOM 668 O ALA A 44 11.808 2.315 10.534 1.00 0.00 O ATOM 669 CB ALA A 44 9.218 3.447 11.058 1.00 0.00 C ATOM 0 H ALA A 44 8.725 4.499 8.898 1.00 0.00 H new ATOM 0 HA ALA A 44 10.834 4.895 10.827 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.695 2.890 11.864 1.00 0.00 H new ATOM 0 HB2 ALA A 44 8.531 4.180 11.480 1.00 0.00 H new ATOM 0 HB3 ALA A 44 8.666 2.758 10.419 1.00 0.00 H new ATOM 675 N GLU A 45 11.692 3.164 8.460 1.00 0.00 N ATOM 676 CA GLU A 45 12.738 2.366 7.824 1.00 0.00 C ATOM 677 C GLU A 45 12.546 0.837 7.926 1.00 0.00 C ATOM 678 O GLU A 45 13.520 0.083 7.853 1.00 0.00 O ATOM 679 CB GLU A 45 14.123 2.818 8.319 1.00 0.00 C ATOM 680 CG GLU A 45 14.444 4.298 8.053 1.00 0.00 C ATOM 681 CD GLU A 45 15.939 4.508 7.789 1.00 0.00 C ATOM 682 OE1 GLU A 45 16.700 4.742 8.750 1.00 0.00 O ATOM 683 OE2 GLU A 45 16.383 4.405 6.616 1.00 0.00 O ATOM 0 H GLU A 45 11.227 3.780 7.794 1.00 0.00 H new ATOM 0 HA GLU A 45 12.660 2.561 6.754 1.00 0.00 H new ATOM 0 HB2 GLU A 45 14.190 2.632 9.391 1.00 0.00 H new ATOM 0 HB3 GLU A 45 14.885 2.202 7.840 1.00 0.00 H new ATOM 0 HG2 GLU A 45 13.869 4.648 7.196 1.00 0.00 H new ATOM 0 HG3 GLU A 45 14.137 4.898 8.909 1.00 0.00 H new ATOM 690 N TYR A 46 11.319 0.339 8.099 1.00 0.00 N ATOM 691 CA TYR A 46 11.008 -1.097 8.157 1.00 0.00 C ATOM 692 C TYR A 46 11.163 -1.813 6.800 1.00 0.00 C ATOM 693 O TYR A 46 10.890 -3.013 6.716 1.00 0.00 O ATOM 694 CB TYR A 46 9.568 -1.286 8.665 1.00 0.00 C ATOM 695 CG TYR A 46 9.364 -1.142 10.162 1.00 0.00 C ATOM 696 CD1 TYR A 46 9.945 -2.066 11.052 1.00 0.00 C ATOM 697 CD2 TYR A 46 8.500 -0.154 10.660 1.00 0.00 C ATOM 698 CE1 TYR A 46 9.637 -2.014 12.423 1.00 0.00 C ATOM 699 CE2 TYR A 46 8.191 -0.083 12.028 1.00 0.00 C ATOM 700 CZ TYR A 46 8.747 -1.031 12.914 1.00 0.00 C ATOM 701 OH TYR A 46 8.406 -1.015 14.230 1.00 0.00 O ATOM 0 H TYR A 46 10.496 0.932 8.205 1.00 0.00 H new ATOM 0 HA TYR A 46 11.730 -1.547 8.839 1.00 0.00 H new ATOM 0 HB2 TYR A 46 8.928 -0.562 8.160 1.00 0.00 H new ATOM 0 HB3 TYR A 46 9.226 -2.277 8.366 1.00 0.00 H new ATOM 0 HD1 TYR A 46 10.628 -2.816 10.681 1.00 0.00 H new ATOM 0 HD2 TYR A 46 8.066 0.564 9.980 1.00 0.00 H new ATOM 0 HE1 TYR A 46 10.081 -2.726 13.102 1.00 0.00 H new ATOM 0 HE2 TYR A 46 7.534 0.690 12.399 1.00 0.00 H new ATOM 0 HH TYR A 46 7.787 -0.274 14.399 1.00 0.00 H new ATOM 711 N PHE A 47 11.538 -1.104 5.731 1.00 0.00 N ATOM 712 CA PHE A 47 11.417 -1.549 4.344 1.00 0.00 C ATOM 713 C PHE A 47 12.715 -1.340 3.560 1.00 0.00 C ATOM 714 O PHE A 47 13.727 -0.905 4.115 1.00 0.00 O ATOM 715 CB PHE A 47 10.233 -0.811 3.700 1.00 0.00 C ATOM 716 CG PHE A 47 8.854 -1.140 4.247 1.00 0.00 C ATOM 717 CD1 PHE A 47 8.521 -2.444 4.666 1.00 0.00 C ATOM 718 CD2 PHE A 47 7.852 -0.154 4.228 1.00 0.00 C ATOM 719 CE1 PHE A 47 7.200 -2.765 5.003 1.00 0.00 C ATOM 720 CE2 PHE A 47 6.522 -0.484 4.532 1.00 0.00 C ATOM 721 CZ PHE A 47 6.195 -1.799 4.893 1.00 0.00 C ATOM 0 H PHE A 47 11.948 -0.173 5.813 1.00 0.00 H new ATOM 0 HA PHE A 47 11.230 -2.623 4.323 1.00 0.00 H new ATOM 0 HB2 PHE A 47 10.398 0.261 3.810 1.00 0.00 H new ATOM 0 HB3 PHE A 47 10.237 -1.026 2.631 1.00 0.00 H new ATOM 0 HD1 PHE A 47 9.289 -3.200 4.728 1.00 0.00 H new ATOM 0 HD2 PHE A 47 8.108 0.865 3.978 1.00 0.00 H new ATOM 0 HE1 PHE A 47 6.957 -3.759 5.348 1.00 0.00 H new ATOM 0 HE2 PHE A 47 5.753 0.273 4.488 1.00 0.00 H new ATOM 0 HZ PHE A 47 5.166 -2.066 5.086 1.00 0.00 H new ATOM 731 N THR A 48 12.710 -1.682 2.271 1.00 0.00 N ATOM 732 CA THR A 48 13.887 -1.816 1.423 1.00 0.00 C ATOM 733 C THR A 48 13.805 -0.872 0.218 1.00 0.00 C ATOM 734 O THR A 48 12.730 -0.387 -0.148 1.00 0.00 O ATOM 735 CB THR A 48 13.991 -3.290 0.982 1.00 0.00 C ATOM 736 OG1 THR A 48 12.773 -3.692 0.385 1.00 0.00 O ATOM 737 CG2 THR A 48 14.275 -4.213 2.172 1.00 0.00 C ATOM 0 H THR A 48 11.844 -1.881 1.770 1.00 0.00 H new ATOM 0 HA THR A 48 14.783 -1.536 1.976 1.00 0.00 H new ATOM 0 HB THR A 48 14.815 -3.367 0.272 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.840 -4.628 0.104 1.00 0.00 H new ATOM 0 HG21 THR A 48 14.342 -5.244 1.825 1.00 0.00 H new ATOM 0 HG22 THR A 48 15.217 -3.925 2.639 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.468 -4.127 2.900 1.00 0.00 H new ATOM 745 N LYS A 49 14.940 -0.651 -0.457 1.00 0.00 N ATOM 746 CA LYS A 49 15.005 0.233 -1.626 1.00 0.00 C ATOM 747 C LYS A 49 14.086 -0.229 -2.758 1.00 0.00 C ATOM 748 O LYS A 49 13.657 0.611 -3.554 1.00 0.00 O ATOM 749 CB LYS A 49 16.445 0.354 -2.162 1.00 0.00 C ATOM 750 CG LYS A 49 17.345 1.311 -1.372 1.00 0.00 C ATOM 751 CD LYS A 49 17.855 0.702 -0.057 1.00 0.00 C ATOM 752 CE LYS A 49 19.383 0.698 0.053 1.00 0.00 C ATOM 753 NZ LYS A 49 19.961 2.044 0.211 1.00 0.00 N ATOM 0 H LYS A 49 15.833 -1.077 -0.210 1.00 0.00 H new ATOM 0 HA LYS A 49 14.663 1.209 -1.282 1.00 0.00 H new ATOM 0 HB2 LYS A 49 16.902 -0.636 -2.163 1.00 0.00 H new ATOM 0 HB3 LYS A 49 16.405 0.687 -3.199 1.00 0.00 H new ATOM 0 HG2 LYS A 49 18.197 1.594 -1.990 1.00 0.00 H new ATOM 0 HG3 LYS A 49 16.792 2.225 -1.153 1.00 0.00 H new ATOM 0 HD2 LYS A 49 17.438 1.261 0.781 1.00 0.00 H new ATOM 0 HD3 LYS A 49 17.488 -0.321 0.029 1.00 0.00 H new ATOM 0 HE2 LYS A 49 19.677 0.082 0.903 1.00 0.00 H new ATOM 0 HE3 LYS A 49 19.803 0.232 -0.839 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 20.996 1.971 0.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 19.709 2.629 -0.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 19.587 2.483 1.076 1.00 0.00 H new ATOM 767 N GLN A 50 13.784 -1.527 -2.853 1.00 0.00 N ATOM 768 CA GLN A 50 12.922 -2.093 -3.884 1.00 0.00 C ATOM 769 C GLN A 50 11.713 -2.774 -3.230 1.00 0.00 C ATOM 770 O GLN A 50 11.293 -3.839 -3.675 1.00 0.00 O ATOM 771 CB GLN A 50 13.696 -3.024 -4.848 1.00 0.00 C ATOM 772 CG GLN A 50 15.169 -2.669 -5.148 1.00 0.00 C ATOM 773 CD GLN A 50 16.139 -3.199 -4.084 1.00 0.00 C ATOM 774 OE1 GLN A 50 15.909 -4.245 -3.487 1.00 0.00 O ATOM 775 NE2 GLN A 50 17.251 -2.540 -3.820 1.00 0.00 N ATOM 0 H GLN A 50 14.141 -2.224 -2.200 1.00 0.00 H new ATOM 0 HA GLN A 50 12.549 -1.284 -4.512 1.00 0.00 H new ATOM 0 HB2 GLN A 50 13.670 -4.033 -4.436 1.00 0.00 H new ATOM 0 HB3 GLN A 50 13.157 -3.052 -5.795 1.00 0.00 H new ATOM 0 HG2 GLN A 50 15.445 -3.077 -6.120 1.00 0.00 H new ATOM 0 HG3 GLN A 50 15.270 -1.586 -5.217 1.00 0.00 H new ATOM 0 HE21 GLN A 50 17.456 -1.668 -4.309 1.00 0.00 H new ATOM 0 HE22 GLN A 50 17.906 -2.902 -3.127 1.00 0.00 H new ATOM 784 N PHE A 51 11.140 -2.180 -2.178 1.00 0.00 N ATOM 785 CA PHE A 51 9.933 -2.683 -1.551 1.00 0.00 C ATOM 786 C PHE A 51 8.739 -2.331 -2.438 1.00 0.00 C ATOM 787 O PHE A 51 8.387 -1.152 -2.561 1.00 0.00 O ATOM 788 CB PHE A 51 9.784 -2.064 -0.157 1.00 0.00 C ATOM 789 CG PHE A 51 8.845 -2.853 0.719 1.00 0.00 C ATOM 790 CD1 PHE A 51 9.344 -3.916 1.497 1.00 0.00 C ATOM 791 CD2 PHE A 51 7.472 -2.547 0.735 1.00 0.00 C ATOM 792 CE1 PHE A 51 8.472 -4.655 2.312 1.00 0.00 C ATOM 793 CE2 PHE A 51 6.603 -3.275 1.561 1.00 0.00 C ATOM 794 CZ PHE A 51 7.109 -4.319 2.353 1.00 0.00 C ATOM 0 H PHE A 51 11.509 -1.334 -1.743 1.00 0.00 H new ATOM 0 HA PHE A 51 9.984 -3.766 -1.437 1.00 0.00 H new ATOM 0 HB2 PHE A 51 10.762 -2.008 0.320 1.00 0.00 H new ATOM 0 HB3 PHE A 51 9.417 -1.042 -0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 51 10.395 -4.162 1.467 1.00 0.00 H new ATOM 0 HD2 PHE A 51 7.088 -1.753 0.112 1.00 0.00 H new ATOM 0 HE1 PHE A 51 8.847 -5.477 2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 51 5.551 -3.034 1.588 1.00 0.00 H new ATOM 0 HZ PHE A 51 6.443 -4.869 3.001 1.00 0.00 H new ATOM 804 N ARG A 52 8.137 -3.299 -3.127 1.00 0.00 N ATOM 805 CA ARG A 52 6.897 -3.075 -3.866 1.00 0.00 C ATOM 806 C ARG A 52 5.698 -3.489 -3.011 1.00 0.00 C ATOM 807 O ARG A 52 5.881 -4.164 -1.998 1.00 0.00 O ATOM 808 CB ARG A 52 6.956 -3.846 -5.190 1.00 0.00 C ATOM 809 CG ARG A 52 7.946 -3.252 -6.198 1.00 0.00 C ATOM 810 CD ARG A 52 9.418 -3.362 -5.812 1.00 0.00 C ATOM 811 NE ARG A 52 10.334 -3.219 -6.952 1.00 0.00 N ATOM 812 CZ ARG A 52 10.710 -4.195 -7.784 1.00 0.00 C ATOM 813 NH1 ARG A 52 10.278 -5.443 -7.630 1.00 0.00 N ATOM 814 NH2 ARG A 52 11.557 -3.905 -8.758 1.00 0.00 N ATOM 0 H ARG A 52 8.492 -4.253 -3.188 1.00 0.00 H new ATOM 0 HA ARG A 52 6.779 -2.016 -4.096 1.00 0.00 H new ATOM 0 HB2 ARG A 52 7.233 -4.881 -4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 52 5.962 -3.864 -5.636 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.802 -3.747 -7.158 1.00 0.00 H new ATOM 0 HG3 ARG A 52 7.703 -2.199 -6.343 1.00 0.00 H new ATOM 0 HD2 ARG A 52 9.650 -2.596 -5.071 1.00 0.00 H new ATOM 0 HD3 ARG A 52 9.590 -4.328 -5.337 1.00 0.00 H new ATOM 0 HE ARG A 52 10.718 -2.290 -7.124 1.00 0.00 H new ATOM 0 HH11 ARG A 52 9.645 -5.673 -6.864 1.00 0.00 H new ATOM 0 HH12 ARG A 52 10.579 -6.171 -8.278 1.00 0.00 H new ATOM 0 HH21 ARG A 52 11.909 -2.953 -8.862 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.858 -4.633 -9.405 1.00 0.00 H new ATOM 828 N VAL A 53 4.487 -3.121 -3.414 1.00 0.00 N ATOM 829 CA VAL A 53 3.242 -3.645 -2.861 1.00 0.00 C ATOM 830 C VAL A 53 2.227 -3.782 -3.989 1.00 0.00 C ATOM 831 O VAL A 53 2.306 -3.018 -4.952 1.00 0.00 O ATOM 832 CB VAL A 53 2.685 -2.735 -1.753 1.00 0.00 C ATOM 833 CG1 VAL A 53 3.563 -2.744 -0.491 1.00 0.00 C ATOM 834 CG2 VAL A 53 2.503 -1.271 -2.093 1.00 0.00 C ATOM 0 H VAL A 53 4.339 -2.433 -4.153 1.00 0.00 H new ATOM 0 HA VAL A 53 3.440 -4.617 -2.410 1.00 0.00 H new ATOM 0 HB VAL A 53 1.702 -3.182 -1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 53 3.127 -2.086 0.261 1.00 0.00 H new ATOM 0 HG12 VAL A 53 3.622 -3.758 -0.096 1.00 0.00 H new ATOM 0 HG13 VAL A 53 4.564 -2.394 -0.742 1.00 0.00 H new ATOM 0 HG21 VAL A 53 2.105 -0.743 -1.227 1.00 0.00 H new ATOM 0 HG22 VAL A 53 3.465 -0.840 -2.370 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.808 -1.175 -2.927 1.00 0.00 H new ATOM 844 N TRP A 54 1.269 -4.700 -3.861 1.00 0.00 N ATOM 845 CA TRP A 54 0.178 -4.873 -4.816 1.00 0.00 C ATOM 846 C TRP A 54 -1.157 -4.677 -4.102 1.00 0.00 C ATOM 847 O TRP A 54 -1.233 -4.762 -2.872 1.00 0.00 O ATOM 848 CB TRP A 54 0.288 -6.239 -5.514 1.00 0.00 C ATOM 849 CG TRP A 54 0.198 -7.485 -4.675 1.00 0.00 C ATOM 850 CD1 TRP A 54 -0.893 -8.277 -4.601 1.00 0.00 C ATOM 851 CD2 TRP A 54 1.234 -8.178 -3.908 1.00 0.00 C ATOM 852 NE1 TRP A 54 -0.618 -9.395 -3.842 1.00 0.00 N ATOM 853 CE2 TRP A 54 0.692 -9.403 -3.414 1.00 0.00 C ATOM 854 CE3 TRP A 54 2.593 -7.933 -3.616 1.00 0.00 C ATOM 855 CZ2 TRP A 54 1.462 -10.332 -2.694 1.00 0.00 C ATOM 856 CZ3 TRP A 54 3.379 -8.876 -2.926 1.00 0.00 C ATOM 857 CH2 TRP A 54 2.822 -10.084 -2.471 1.00 0.00 C ATOM 0 H TRP A 54 1.230 -5.353 -3.079 1.00 0.00 H new ATOM 0 HA TRP A 54 0.244 -4.119 -5.601 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.498 -6.290 -6.268 1.00 0.00 H new ATOM 0 HB3 TRP A 54 1.240 -6.265 -6.044 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -1.843 -8.066 -5.068 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -1.298 -10.124 -3.625 1.00 0.00 H new ATOM 0 HE3 TRP A 54 3.040 -7.001 -3.929 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 1.006 -11.234 -2.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 4.423 -8.669 -2.744 1.00 0.00 H new ATOM 0 HH2 TRP A 54 3.434 -10.810 -1.957 1.00 0.00 H new ATOM 868 N MET A 55 -2.216 -4.392 -4.855 1.00 0.00 N ATOM 869 CA MET A 55 -3.558 -4.289 -4.297 1.00 0.00 C ATOM 870 C MET A 55 -4.086 -5.660 -3.891 1.00 0.00 C ATOM 871 O MET A 55 -3.718 -6.688 -4.468 1.00 0.00 O ATOM 872 CB MET A 55 -4.504 -3.661 -5.323 1.00 0.00 C ATOM 873 CG MET A 55 -4.419 -2.145 -5.352 1.00 0.00 C ATOM 874 SD MET A 55 -5.594 -1.439 -6.533 1.00 0.00 S ATOM 875 CE MET A 55 -4.857 0.199 -6.609 1.00 0.00 C ATOM 0 H MET A 55 -2.168 -4.227 -5.860 1.00 0.00 H new ATOM 0 HA MET A 55 -3.509 -3.658 -3.410 1.00 0.00 H new ATOM 0 HB2 MET A 55 -4.270 -4.052 -6.313 1.00 0.00 H new ATOM 0 HB3 MET A 55 -5.528 -3.959 -5.096 1.00 0.00 H new ATOM 0 HG2 MET A 55 -4.619 -1.749 -4.356 1.00 0.00 H new ATOM 0 HG3 MET A 55 -3.407 -1.841 -5.618 1.00 0.00 H new ATOM 0 HE1 MET A 55 -5.351 0.785 -7.384 1.00 0.00 H new ATOM 0 HE2 MET A 55 -4.977 0.697 -5.647 1.00 0.00 H new ATOM 0 HE3 MET A 55 -3.796 0.110 -6.842 1.00 0.00 H new ATOM 885 N THR A 56 -5.020 -5.675 -2.941 1.00 0.00 N ATOM 886 CA THR A 56 -5.827 -6.847 -2.669 1.00 0.00 C ATOM 887 C THR A 56 -6.564 -7.244 -3.958 1.00 0.00 C ATOM 888 O THR A 56 -7.039 -6.382 -4.707 1.00 0.00 O ATOM 889 CB THR A 56 -6.755 -6.549 -1.485 1.00 0.00 C ATOM 890 OG1 THR A 56 -7.551 -5.407 -1.736 1.00 0.00 O ATOM 891 CG2 THR A 56 -5.995 -6.337 -0.173 1.00 0.00 C ATOM 0 H THR A 56 -5.232 -4.875 -2.345 1.00 0.00 H new ATOM 0 HA THR A 56 -5.220 -7.704 -2.376 1.00 0.00 H new ATOM 0 HB THR A 56 -7.387 -7.430 -1.376 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.135 -5.240 -0.967 1.00 0.00 H new ATOM 0 HG21 THR A 56 -6.704 -6.130 0.629 1.00 0.00 H new ATOM 0 HG22 THR A 56 -5.427 -7.236 0.068 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.312 -5.494 -0.280 1.00 0.00 H new ATOM 899 N GLY A 57 -6.620 -8.544 -4.250 1.00 0.00 N ATOM 900 CA GLY A 57 -7.212 -9.051 -5.478 1.00 0.00 C ATOM 901 C GLY A 57 -6.352 -8.848 -6.731 1.00 0.00 C ATOM 902 O GLY A 57 -6.831 -9.185 -7.816 1.00 0.00 O ATOM 0 H GLY A 57 -6.254 -9.273 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -7.410 -10.116 -5.358 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.175 -8.563 -5.631 1.00 0.00 H new ATOM 906 N GLU A 58 -5.108 -8.361 -6.643 1.00 0.00 N ATOM 907 CA GLU A 58 -4.209 -8.235 -7.799 1.00 0.00 C ATOM 908 C GLU A 58 -3.009 -9.180 -7.658 1.00 0.00 C ATOM 909 O GLU A 58 -2.838 -9.848 -6.633 1.00 0.00 O ATOM 910 CB GLU A 58 -3.805 -6.764 -8.039 1.00 0.00 C ATOM 911 CG GLU A 58 -5.058 -5.915 -8.305 1.00 0.00 C ATOM 912 CD GLU A 58 -4.824 -4.578 -9.020 1.00 0.00 C ATOM 913 OE1 GLU A 58 -3.779 -3.919 -8.828 1.00 0.00 O ATOM 914 OE2 GLU A 58 -5.753 -4.166 -9.757 1.00 0.00 O ATOM 0 H GLU A 58 -4.695 -8.042 -5.767 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.745 -8.546 -8.696 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -3.271 -6.378 -7.171 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.124 -6.698 -8.887 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.754 -6.506 -8.901 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -5.546 -5.714 -7.351 1.00 0.00 H new ATOM 921 N SER A 59 -2.227 -9.302 -8.727 1.00 0.00 N ATOM 922 CA SER A 59 -1.077 -10.162 -8.878 1.00 0.00 C ATOM 923 C SER A 59 0.137 -9.540 -8.189 1.00 0.00 C ATOM 924 O SER A 59 0.304 -8.322 -8.229 1.00 0.00 O ATOM 925 CB SER A 59 -0.823 -10.260 -10.393 1.00 0.00 C ATOM 926 OG SER A 59 -2.036 -10.345 -11.127 1.00 0.00 O ATOM 0 H SER A 59 -2.402 -8.756 -9.571 1.00 0.00 H new ATOM 0 HA SER A 59 -1.247 -11.141 -8.431 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.258 -9.388 -10.724 1.00 0.00 H new ATOM 0 HB3 SER A 59 -0.209 -11.136 -10.603 1.00 0.00 H new ATOM 0 HG SER A 59 -1.836 -10.404 -12.084 1.00 0.00 H new ATOM 932 N MET A 60 1.055 -10.354 -7.663 1.00 0.00 N ATOM 933 CA MET A 60 2.317 -9.831 -7.141 1.00 0.00 C ATOM 934 C MET A 60 3.152 -9.192 -8.255 1.00 0.00 C ATOM 935 O MET A 60 3.878 -8.232 -8.015 1.00 0.00 O ATOM 936 CB MET A 60 3.093 -10.943 -6.437 1.00 0.00 C ATOM 937 CG MET A 60 4.420 -10.412 -5.866 1.00 0.00 C ATOM 938 SD MET A 60 5.533 -11.600 -5.069 1.00 0.00 S ATOM 939 CE MET A 60 4.362 -12.814 -4.424 1.00 0.00 C ATOM 0 H MET A 60 0.950 -11.366 -7.588 1.00 0.00 H new ATOM 0 HA MET A 60 2.095 -9.051 -6.413 1.00 0.00 H new ATOM 0 HB2 MET A 60 2.488 -11.361 -5.632 1.00 0.00 H new ATOM 0 HB3 MET A 60 3.293 -11.753 -7.139 1.00 0.00 H new ATOM 0 HG2 MET A 60 4.967 -9.934 -6.679 1.00 0.00 H new ATOM 0 HG3 MET A 60 4.185 -9.634 -5.140 1.00 0.00 H new ATOM 0 HE1 MET A 60 4.836 -13.391 -3.630 1.00 0.00 H new ATOM 0 HE2 MET A 60 3.487 -12.300 -4.025 1.00 0.00 H new ATOM 0 HE3 MET A 60 4.054 -13.485 -5.226 1.00 0.00 H new ATOM 949 N GLU A 61 3.043 -9.662 -9.496 1.00 0.00 N ATOM 950 CA GLU A 61 3.721 -8.991 -10.602 1.00 0.00 C ATOM 951 C GLU A 61 3.128 -7.600 -10.876 1.00 0.00 C ATOM 952 O GLU A 61 3.816 -6.751 -11.442 1.00 0.00 O ATOM 953 CB GLU A 61 3.710 -9.878 -11.849 1.00 0.00 C ATOM 954 CG GLU A 61 4.755 -10.997 -11.710 1.00 0.00 C ATOM 955 CD GLU A 61 5.024 -11.685 -13.042 1.00 0.00 C ATOM 956 OE1 GLU A 61 4.057 -12.244 -13.614 1.00 0.00 O ATOM 957 OE2 GLU A 61 6.180 -11.636 -13.528 1.00 0.00 O ATOM 0 H GLU A 61 2.504 -10.487 -9.758 1.00 0.00 H new ATOM 0 HA GLU A 61 4.760 -8.829 -10.316 1.00 0.00 H new ATOM 0 HB2 GLU A 61 2.719 -10.310 -11.989 1.00 0.00 H new ATOM 0 HB3 GLU A 61 3.924 -9.278 -12.734 1.00 0.00 H new ATOM 0 HG2 GLU A 61 5.684 -10.581 -11.321 1.00 0.00 H new ATOM 0 HG3 GLU A 61 4.407 -11.732 -10.984 1.00 0.00 H new ATOM 964 N SER A 62 1.905 -7.314 -10.422 1.00 0.00 N ATOM 965 CA SER A 62 1.325 -5.977 -10.451 1.00 0.00 C ATOM 966 C SER A 62 1.970 -5.056 -9.403 1.00 0.00 C ATOM 967 O SER A 62 1.699 -3.861 -9.422 1.00 0.00 O ATOM 968 CB SER A 62 -0.192 -6.084 -10.214 1.00 0.00 C ATOM 969 OG SER A 62 -0.917 -5.243 -11.086 1.00 0.00 O ATOM 0 H SER A 62 1.285 -8.017 -10.019 1.00 0.00 H new ATOM 0 HA SER A 62 1.517 -5.534 -11.428 1.00 0.00 H new ATOM 0 HB2 SER A 62 -0.511 -7.117 -10.356 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.419 -5.819 -9.181 1.00 0.00 H new ATOM 0 HG SER A 62 -1.876 -5.337 -10.909 1.00 0.00 H new ATOM 975 N ALA A 63 2.795 -5.579 -8.485 1.00 0.00 N ATOM 976 CA ALA A 63 3.270 -4.828 -7.338 1.00 0.00 C ATOM 977 C ALA A 63 4.112 -3.633 -7.771 1.00 0.00 C ATOM 978 O ALA A 63 5.157 -3.798 -8.405 1.00 0.00 O ATOM 979 CB ALA A 63 4.041 -5.723 -6.367 1.00 0.00 C ATOM 0 H ALA A 63 3.146 -6.536 -8.526 1.00 0.00 H new ATOM 0 HA ALA A 63 2.396 -4.445 -6.811 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.383 -5.130 -5.519 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.389 -6.521 -6.012 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.901 -6.157 -6.877 1.00 0.00 H new ATOM 985 N VAL A 64 3.663 -2.443 -7.398 1.00 0.00 N ATOM 986 CA VAL A 64 4.272 -1.170 -7.735 1.00 0.00 C ATOM 987 C VAL A 64 5.160 -0.708 -6.588 1.00 0.00 C ATOM 988 O VAL A 64 4.983 -1.119 -5.435 1.00 0.00 O ATOM 989 CB VAL A 64 3.161 -0.143 -7.998 1.00 0.00 C ATOM 990 CG1 VAL A 64 2.256 -0.567 -9.143 1.00 0.00 C ATOM 991 CG2 VAL A 64 2.340 0.163 -6.737 1.00 0.00 C ATOM 0 H VAL A 64 2.825 -2.337 -6.826 1.00 0.00 H new ATOM 0 HA VAL A 64 4.887 -1.274 -8.629 1.00 0.00 H new ATOM 0 HB VAL A 64 3.662 0.779 -8.293 1.00 0.00 H new ATOM 0 HG11 VAL A 64 1.484 0.187 -9.295 1.00 0.00 H new ATOM 0 HG12 VAL A 64 2.846 -0.672 -10.054 1.00 0.00 H new ATOM 0 HG13 VAL A 64 1.788 -1.521 -8.902 1.00 0.00 H new ATOM 0 HG21 VAL A 64 1.567 0.894 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.874 -0.753 -6.375 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.996 0.566 -5.965 1.00 0.00 H new ATOM 1001 N LEU A 65 6.111 0.180 -6.867 1.00 0.00 N ATOM 1002 CA LEU A 65 7.068 0.645 -5.896 1.00 0.00 C ATOM 1003 C LEU A 65 6.331 1.406 -4.819 1.00 0.00 C ATOM 1004 O LEU A 65 5.701 2.422 -5.114 1.00 0.00 O ATOM 1005 CB LEU A 65 8.043 1.564 -6.596 1.00 0.00 C ATOM 1006 CG LEU A 65 8.957 0.840 -7.573 1.00 0.00 C ATOM 1007 CD1 LEU A 65 10.135 0.168 -6.875 1.00 0.00 C ATOM 1008 CD2 LEU A 65 8.358 -0.138 -8.562 1.00 0.00 C ATOM 0 H LEU A 65 6.231 0.596 -7.791 1.00 0.00 H new ATOM 0 HA LEU A 65 7.605 -0.190 -5.447 1.00 0.00 H new ATOM 0 HB2 LEU A 65 7.486 2.333 -7.132 1.00 0.00 H new ATOM 0 HB3 LEU A 65 8.652 2.073 -5.849 1.00 0.00 H new ATOM 0 HG LEU A 65 9.267 1.683 -8.190 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.758 -0.335 -7.615 1.00 0.00 H new ATOM 0 HD12 LEU A 65 10.727 0.921 -6.354 1.00 0.00 H new ATOM 0 HD13 LEU A 65 9.764 -0.563 -6.156 1.00 0.00 H new ATOM 0 HD21 LEU A 65 9.150 -0.561 -9.180 1.00 0.00 H new ATOM 0 HD22 LEU A 65 7.852 -0.938 -8.022 1.00 0.00 H new ATOM 0 HD23 LEU A 65 7.640 0.381 -9.197 1.00 0.00 H new ATOM 1020 N LEU A 66 6.506 0.988 -3.568 1.00 0.00 N ATOM 1021 CA LEU A 66 6.126 1.799 -2.422 1.00 0.00 C ATOM 1022 C LEU A 66 6.754 3.190 -2.549 1.00 0.00 C ATOM 1023 O LEU A 66 6.173 4.155 -2.055 1.00 0.00 O ATOM 1024 CB LEU A 66 6.578 1.062 -1.141 1.00 0.00 C ATOM 1025 CG LEU A 66 6.322 1.824 0.173 1.00 0.00 C ATOM 1026 CD1 LEU A 66 4.848 2.142 0.404 1.00 0.00 C ATOM 1027 CD2 LEU A 66 6.802 0.992 1.359 1.00 0.00 C ATOM 0 H LEU A 66 6.912 0.085 -3.325 1.00 0.00 H new ATOM 0 HA LEU A 66 5.046 1.940 -2.375 1.00 0.00 H new ATOM 0 HB2 LEU A 66 6.065 0.102 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.644 0.850 -1.219 1.00 0.00 H new ATOM 0 HG LEU A 66 6.870 2.762 0.088 1.00 0.00 H new ATOM 0 HD11 LEU A 66 4.735 2.679 1.346 1.00 0.00 H new ATOM 0 HD12 LEU A 66 4.477 2.760 -0.413 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.278 1.214 0.445 1.00 0.00 H new ATOM 0 HD21 LEU A 66 6.618 1.537 2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 66 6.262 0.046 1.382 1.00 0.00 H new ATOM 0 HD23 LEU A 66 7.870 0.798 1.259 1.00 0.00 H new ATOM 1039 N THR A 67 7.882 3.341 -3.264 1.00 0.00 N ATOM 1040 CA THR A 67 8.513 4.659 -3.319 1.00 0.00 C ATOM 1041 C THR A 67 7.791 5.549 -4.339 1.00 0.00 C ATOM 1042 O THR A 67 7.871 6.777 -4.275 1.00 0.00 O ATOM 1043 CB THR A 67 10.017 4.540 -3.626 1.00 0.00 C ATOM 1044 OG1 THR A 67 10.229 4.127 -4.965 1.00 0.00 O ATOM 1045 CG2 THR A 67 10.740 3.569 -2.685 1.00 0.00 C ATOM 0 H THR A 67 8.353 2.603 -3.787 1.00 0.00 H new ATOM 0 HA THR A 67 8.425 5.131 -2.340 1.00 0.00 H new ATOM 0 HB THR A 67 10.435 5.535 -3.471 1.00 0.00 H new ATOM 0 HG1 THR A 67 11.191 4.060 -5.138 1.00 0.00 H new ATOM 0 HG21 THR A 67 11.797 3.526 -2.949 1.00 0.00 H new ATOM 0 HG22 THR A 67 10.637 3.914 -1.656 1.00 0.00 H new ATOM 0 HG23 THR A 67 10.301 2.576 -2.780 1.00 0.00 H new ATOM 1053 N ASP A 68 7.128 4.940 -5.327 1.00 0.00 N ATOM 1054 CA ASP A 68 6.336 5.643 -6.324 1.00 0.00 C ATOM 1055 C ASP A 68 5.038 6.035 -5.671 1.00 0.00 C ATOM 1056 O ASP A 68 4.646 7.187 -5.755 1.00 0.00 O ATOM 1057 CB ASP A 68 6.080 4.787 -7.573 1.00 0.00 C ATOM 1058 CG ASP A 68 7.202 5.064 -8.576 1.00 0.00 C ATOM 1059 OD1 ASP A 68 7.193 6.121 -9.246 1.00 0.00 O ATOM 1060 OD2 ASP A 68 8.201 4.309 -8.584 1.00 0.00 O ATOM 0 H ASP A 68 7.131 3.928 -5.453 1.00 0.00 H new ATOM 0 HA ASP A 68 6.882 6.521 -6.669 1.00 0.00 H new ATOM 0 HB2 ASP A 68 6.056 3.729 -7.311 1.00 0.00 H new ATOM 0 HB3 ASP A 68 5.111 5.030 -8.009 1.00 0.00 H new ATOM 1065 N VAL A 69 4.384 5.127 -4.956 1.00 0.00 N ATOM 1066 CA VAL A 69 3.097 5.415 -4.342 1.00 0.00 C ATOM 1067 C VAL A 69 3.223 6.492 -3.259 1.00 0.00 C ATOM 1068 O VAL A 69 2.361 7.362 -3.173 1.00 0.00 O ATOM 1069 CB VAL A 69 2.475 4.099 -3.874 1.00 0.00 C ATOM 1070 CG1 VAL A 69 1.182 4.303 -3.093 1.00 0.00 C ATOM 1071 CG2 VAL A 69 2.191 3.235 -5.108 1.00 0.00 C ATOM 0 H VAL A 69 4.727 4.181 -4.788 1.00 0.00 H new ATOM 0 HA VAL A 69 2.410 5.852 -5.067 1.00 0.00 H new ATOM 0 HB VAL A 69 3.181 3.614 -3.200 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.786 3.335 -2.786 1.00 0.00 H new ATOM 0 HG12 VAL A 69 1.382 4.909 -2.210 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.452 4.811 -3.724 1.00 0.00 H new ATOM 0 HG21 VAL A 69 1.746 2.290 -4.796 1.00 0.00 H new ATOM 0 HG22 VAL A 69 1.501 3.760 -5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 69 3.123 3.040 -5.638 1.00 0.00 H new ATOM 1081 N LEU A 70 4.322 6.534 -2.501 1.00 0.00 N ATOM 1082 CA LEU A 70 4.611 7.653 -1.594 1.00 0.00 C ATOM 1083 C LEU A 70 4.747 9.001 -2.324 1.00 0.00 C ATOM 1084 O LEU A 70 4.588 10.046 -1.699 1.00 0.00 O ATOM 1085 CB LEU A 70 5.850 7.346 -0.752 1.00 0.00 C ATOM 1086 CG LEU A 70 5.565 6.660 0.593 1.00 0.00 C ATOM 1087 CD1 LEU A 70 4.384 5.692 0.599 1.00 0.00 C ATOM 1088 CD2 LEU A 70 6.820 5.919 1.014 1.00 0.00 C ATOM 0 H LEU A 70 5.032 5.802 -2.497 1.00 0.00 H new ATOM 0 HA LEU A 70 3.752 7.759 -0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 70 6.518 6.710 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.382 8.278 -0.562 1.00 0.00 H new ATOM 0 HG LEU A 70 5.285 7.451 1.288 1.00 0.00 H new ATOM 0 HD11 LEU A 70 4.270 5.263 1.595 1.00 0.00 H new ATOM 0 HD12 LEU A 70 3.474 6.227 0.328 1.00 0.00 H new ATOM 0 HD13 LEU A 70 4.564 4.894 -0.121 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.646 5.421 1.968 1.00 0.00 H new ATOM 0 HD22 LEU A 70 7.075 5.176 0.258 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.643 6.627 1.119 1.00 0.00 H new ATOM 1100 N ARG A 71 5.012 9.002 -3.635 1.00 0.00 N ATOM 1101 CA ARG A 71 4.973 10.185 -4.493 1.00 0.00 C ATOM 1102 C ARG A 71 3.573 10.390 -5.076 1.00 0.00 C ATOM 1103 O ARG A 71 3.040 11.496 -4.995 1.00 0.00 O ATOM 1104 CB ARG A 71 6.096 10.100 -5.549 1.00 0.00 C ATOM 1105 CG ARG A 71 5.820 10.898 -6.836 1.00 0.00 C ATOM 1106 CD ARG A 71 7.119 11.332 -7.524 1.00 0.00 C ATOM 1107 NE ARG A 71 7.686 12.494 -6.819 1.00 0.00 N ATOM 1108 CZ ARG A 71 8.859 13.091 -7.043 1.00 0.00 C ATOM 1109 NH1 ARG A 71 9.731 12.589 -7.906 1.00 0.00 N ATOM 1110 NH2 ARG A 71 9.189 14.197 -6.393 1.00 0.00 N ATOM 0 H ARG A 71 5.267 8.153 -4.140 1.00 0.00 H new ATOM 0 HA ARG A 71 5.170 11.082 -3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 71 7.024 10.460 -5.105 1.00 0.00 H new ATOM 0 HB3 ARG A 71 6.253 9.054 -5.811 1.00 0.00 H new ATOM 0 HG2 ARG A 71 5.231 10.290 -7.522 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.223 11.778 -6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.834 10.510 -7.525 1.00 0.00 H new ATOM 0 HD3 ARG A 71 6.924 11.586 -8.566 1.00 0.00 H new ATOM 0 HE ARG A 71 7.115 12.889 -6.072 1.00 0.00 H new ATOM 0 HH11 ARG A 71 9.511 11.732 -8.413 1.00 0.00 H new ATOM 0 HH12 ARG A 71 10.622 13.060 -8.063 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.544 14.601 -5.714 1.00 0.00 H new ATOM 0 HH22 ARG A 71 10.088 14.645 -6.572 1.00 0.00 H new ATOM 1124 N LEU A 72 2.943 9.346 -5.623 1.00 0.00 N ATOM 1125 CA LEU A 72 1.588 9.381 -6.184 1.00 0.00 C ATOM 1126 C LEU A 72 0.540 9.719 -5.115 1.00 0.00 C ATOM 1127 O LEU A 72 -0.597 10.030 -5.468 1.00 0.00 O ATOM 1128 CB LEU A 72 1.205 8.032 -6.833 1.00 0.00 C ATOM 1129 CG LEU A 72 2.089 7.531 -7.994 1.00 0.00 C ATOM 1130 CD1 LEU A 72 1.639 6.128 -8.413 1.00 0.00 C ATOM 1131 CD2 LEU A 72 2.036 8.453 -9.209 1.00 0.00 C ATOM 0 H LEU A 72 3.375 8.424 -5.690 1.00 0.00 H new ATOM 0 HA LEU A 72 1.596 10.162 -6.944 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.207 7.270 -6.054 1.00 0.00 H new ATOM 0 HB3 LEU A 72 0.181 8.112 -7.198 1.00 0.00 H new ATOM 0 HG LEU A 72 3.117 7.516 -7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 72 2.264 5.775 -9.233 1.00 0.00 H new ATOM 0 HD12 LEU A 72 1.733 5.448 -7.566 1.00 0.00 H new ATOM 0 HD13 LEU A 72 0.599 6.161 -8.738 1.00 0.00 H new ATOM 0 HD21 LEU A 72 2.675 8.054 -9.996 1.00 0.00 H new ATOM 0 HD22 LEU A 72 1.010 8.518 -9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 72 2.384 9.447 -8.927 1.00 0.00 H new ATOM 1143 N SER A 73 0.895 9.652 -3.831 1.00 0.00 N ATOM 1144 CA SER A 73 0.086 10.015 -2.681 1.00 0.00 C ATOM 1145 C SER A 73 0.835 11.067 -1.855 1.00 0.00 C ATOM 1146 O SER A 73 0.970 10.915 -0.638 1.00 0.00 O ATOM 1147 CB SER A 73 -0.257 8.744 -1.885 1.00 0.00 C ATOM 1148 OG SER A 73 -1.178 9.044 -0.851 1.00 0.00 O ATOM 0 H SER A 73 1.819 9.319 -3.555 1.00 0.00 H new ATOM 0 HA SER A 73 -0.860 10.463 -2.985 1.00 0.00 H new ATOM 0 HB2 SER A 73 -0.680 7.993 -2.552 1.00 0.00 H new ATOM 0 HB3 SER A 73 0.651 8.317 -1.460 1.00 0.00 H new ATOM 0 HG SER A 73 -0.826 9.775 -0.301 1.00 0.00 H new ATOM 1154 N GLY A 74 1.326 12.118 -2.511 1.00 0.00 N ATOM 1155 CA GLY A 74 1.985 13.246 -1.878 1.00 0.00 C ATOM 1156 C GLY A 74 1.379 14.567 -2.360 1.00 0.00 C ATOM 1157 O GLY A 74 0.516 14.579 -3.247 1.00 0.00 O ATOM 0 H GLY A 74 1.272 12.205 -3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.888 13.169 -0.795 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.051 13.225 -2.105 1.00 0.00 H new ATOM 1161 N PRO A 75 1.796 15.693 -1.764 1.00 0.00 N ATOM 1162 CA PRO A 75 1.550 17.021 -2.299 1.00 0.00 C ATOM 1163 C PRO A 75 2.553 17.324 -3.407 1.00 0.00 C ATOM 1164 O PRO A 75 3.715 16.899 -3.352 1.00 0.00 O ATOM 1165 CB PRO A 75 1.721 17.964 -1.109 1.00 0.00 C ATOM 1166 CG PRO A 75 2.757 17.248 -0.243 1.00 0.00 C ATOM 1167 CD PRO A 75 2.520 15.765 -0.506 1.00 0.00 C ATOM 0 HA PRO A 75 0.560 17.125 -2.743 1.00 0.00 H new ATOM 0 HB2 PRO A 75 2.069 18.948 -1.422 1.00 0.00 H new ATOM 0 HB3 PRO A 75 0.783 18.112 -0.575 1.00 0.00 H new ATOM 0 HG2 PRO A 75 3.771 17.541 -0.514 1.00 0.00 H new ATOM 0 HG3 PRO A 75 2.627 17.489 0.812 1.00 0.00 H new ATOM 0 HD2 PRO A 75 3.464 15.224 -0.567 1.00 0.00 H new ATOM 0 HD3 PRO A 75 1.945 15.312 0.302 1.00 0.00 H new ATOM 1175 N SER A 76 2.098 18.099 -4.389 1.00 0.00 N ATOM 1176 CA SER A 76 2.858 18.503 -5.557 1.00 0.00 C ATOM 1177 C SER A 76 4.123 19.239 -5.093 1.00 0.00 C ATOM 1178 O SER A 76 4.027 20.362 -4.603 1.00 0.00 O ATOM 1179 CB SER A 76 1.929 19.345 -6.441 1.00 0.00 C ATOM 1180 OG SER A 76 2.565 19.822 -7.609 1.00 0.00 O ATOM 0 H SER A 76 1.150 18.475 -4.387 1.00 0.00 H new ATOM 0 HA SER A 76 3.202 17.659 -6.155 1.00 0.00 H new ATOM 0 HB2 SER A 76 1.063 18.746 -6.724 1.00 0.00 H new ATOM 0 HB3 SER A 76 1.556 20.192 -5.865 1.00 0.00 H new ATOM 0 HG SER A 76 1.929 20.350 -8.136 1.00 0.00 H new ATOM 1186 N SER A 77 5.276 18.565 -5.176 1.00 0.00 N ATOM 1187 CA SER A 77 6.593 18.926 -4.649 1.00 0.00 C ATOM 1188 C SER A 77 6.602 20.104 -3.664 1.00 0.00 C ATOM 1189 O SER A 77 6.998 21.224 -4.011 1.00 0.00 O ATOM 1190 CB SER A 77 7.564 19.139 -5.809 1.00 0.00 C ATOM 1191 OG SER A 77 7.787 17.925 -6.505 1.00 0.00 O ATOM 0 H SER A 77 5.311 17.668 -5.660 1.00 0.00 H new ATOM 0 HA SER A 77 6.922 18.084 -4.040 1.00 0.00 H new ATOM 0 HB2 SER A 77 7.163 19.887 -6.493 1.00 0.00 H new ATOM 0 HB3 SER A 77 8.510 19.527 -5.431 1.00 0.00 H new ATOM 0 HG SER A 77 8.410 18.082 -7.245 1.00 0.00 H new ATOM 1197 N GLY A 78 6.221 19.831 -2.415 1.00 0.00 N ATOM 1198 CA GLY A 78 6.567 20.637 -1.255 1.00 0.00 C ATOM 1199 C GLY A 78 7.564 19.821 -0.475 1.00 0.00 C ATOM 1200 O GLY A 78 7.169 19.198 0.535 1.00 0.00 O ATOM 0 H GLY A 78 5.648 19.020 -2.182 1.00 0.00 H new ATOM 0 HA2 GLY A 78 6.994 21.594 -1.556 1.00 0.00 H new ATOM 0 HA3 GLY A 78 5.685 20.857 -0.654 1.00 0.00 H new TER 1204 GLY A 78