USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 427 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 71 ASN : amide:sc= 0.851 K(o=-0.19,f=-8.1!) USER MOD Set 1.2: A 74 CYS SG : rot 41:sc= -0.422 USER MOD Set 1.3: A 86 ASN : amide:sc= -0.622 K(o=-0.19,f=-1.5!) USER MOD Set 2.1: A 62 SER OG : rot -135:sc= 0.896 USER MOD Set 2.2: A 92 ASN : amide:sc= 0.318 K(o=1.2,f=-2.7!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 24:sc= 0.181 USER MOD Single : A 64 THR OG1 : rot 180:sc= -0.0772 USER MOD Single : A 65 THR OG1 : rot 180:sc=-0.00102 USER MOD Single : A 75 GLN : amide:sc= -0.14 X(o=-0.14,f=-0.14) USER MOD Single : A 78 TYR OH : rot 180:sc= -0.0488 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.013 X(o=-0.013,f=0.33) USER MOD Single : A 93 GLN : amide:sc= -0.154 K(o=-0.15,f=-2!) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 SER OG : rot 180:sc= -0.0347 USER MOD Single : A 105 ASN : amide:sc= -1.47 K(o=-1.5,f=-3.1!) USER MOD Single : A 106 GLN : amide:sc= -1.13 K(o=-1.1,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 50 23.495 -18.333 -10.741 1.00 0.00 N ATOM 2 CA GLY A 50 23.598 -16.920 -10.426 1.00 0.00 C ATOM 3 C GLY A 50 22.833 -16.548 -9.172 1.00 0.00 C ATOM 4 O GLY A 50 22.390 -17.421 -8.425 1.00 0.00 O ATOM 0 HA2 GLY A 50 24.648 -16.655 -10.300 1.00 0.00 H new ATOM 0 HA3 GLY A 50 23.220 -16.335 -11.265 1.00 0.00 H new ATOM 8 N SER A 51 22.679 -15.249 -8.938 1.00 0.00 N ATOM 9 CA SER A 51 21.967 -14.763 -7.761 1.00 0.00 C ATOM 10 C SER A 51 20.509 -14.462 -8.095 1.00 0.00 C ATOM 11 O SER A 51 20.084 -14.589 -9.243 1.00 0.00 O ATOM 12 CB SER A 51 22.646 -13.508 -7.210 1.00 0.00 C ATOM 13 OG SER A 51 23.994 -13.769 -6.860 1.00 0.00 O ATOM 0 H SER A 51 23.037 -14.514 -9.547 1.00 0.00 H new ATOM 0 HA SER A 51 21.994 -15.544 -7.002 1.00 0.00 H new ATOM 0 HB2 SER A 51 22.608 -12.713 -7.955 1.00 0.00 H new ATOM 0 HB3 SER A 51 22.102 -13.151 -6.335 1.00 0.00 H new ATOM 0 HG SER A 51 24.406 -12.951 -6.512 1.00 0.00 H new ATOM 19 N SER A 52 19.747 -14.061 -7.082 1.00 0.00 N ATOM 20 CA SER A 52 18.335 -13.745 -7.265 1.00 0.00 C ATOM 21 C SER A 52 18.117 -12.963 -8.556 1.00 0.00 C ATOM 22 O SER A 52 17.394 -13.404 -9.448 1.00 0.00 O ATOM 23 CB SER A 52 17.812 -12.941 -6.073 1.00 0.00 C ATOM 24 OG SER A 52 17.534 -13.786 -4.970 1.00 0.00 O ATOM 0 H SER A 52 20.084 -13.947 -6.126 1.00 0.00 H new ATOM 0 HA SER A 52 17.783 -14.683 -7.331 1.00 0.00 H new ATOM 0 HB2 SER A 52 18.549 -12.192 -5.784 1.00 0.00 H new ATOM 0 HB3 SER A 52 16.908 -12.404 -6.361 1.00 0.00 H new ATOM 0 HG SER A 52 17.203 -13.248 -4.221 1.00 0.00 H new ATOM 30 N GLY A 53 18.750 -11.797 -8.648 1.00 0.00 N ATOM 31 CA GLY A 53 18.612 -10.970 -9.833 1.00 0.00 C ATOM 32 C GLY A 53 18.062 -9.593 -9.519 1.00 0.00 C ATOM 33 O GLY A 53 18.476 -8.957 -8.550 1.00 0.00 O ATOM 0 H GLY A 53 19.355 -11.411 -7.924 1.00 0.00 H new ATOM 0 HA2 GLY A 53 19.584 -10.868 -10.316 1.00 0.00 H new ATOM 0 HA3 GLY A 53 17.953 -11.467 -10.545 1.00 0.00 H new ATOM 37 N SER A 54 17.126 -9.130 -10.342 1.00 0.00 N ATOM 38 CA SER A 54 16.521 -7.817 -10.150 1.00 0.00 C ATOM 39 C SER A 54 15.034 -7.944 -9.834 1.00 0.00 C ATOM 40 O SER A 54 14.305 -8.671 -10.508 1.00 0.00 O ATOM 41 CB SER A 54 16.717 -6.955 -11.398 1.00 0.00 C ATOM 42 OG SER A 54 16.552 -5.579 -11.099 1.00 0.00 O ATOM 0 H SER A 54 16.770 -9.645 -11.148 1.00 0.00 H new ATOM 0 HA SER A 54 17.014 -7.337 -9.304 1.00 0.00 H new ATOM 0 HB2 SER A 54 17.713 -7.124 -11.808 1.00 0.00 H new ATOM 0 HB3 SER A 54 16.002 -7.252 -12.165 1.00 0.00 H new ATOM 0 HG SER A 54 16.684 -5.049 -11.913 1.00 0.00 H new ATOM 48 N SER A 55 14.592 -7.232 -8.803 1.00 0.00 N ATOM 49 CA SER A 55 13.192 -7.267 -8.394 1.00 0.00 C ATOM 50 C SER A 55 12.371 -6.250 -9.180 1.00 0.00 C ATOM 51 O SER A 55 12.723 -5.074 -9.254 1.00 0.00 O ATOM 52 CB SER A 55 13.070 -6.988 -6.894 1.00 0.00 C ATOM 53 OG SER A 55 13.473 -5.665 -6.587 1.00 0.00 O ATOM 0 H SER A 55 15.182 -6.624 -8.235 1.00 0.00 H new ATOM 0 HA SER A 55 12.802 -8.263 -8.604 1.00 0.00 H new ATOM 0 HB2 SER A 55 12.039 -7.141 -6.575 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.684 -7.697 -6.338 1.00 0.00 H new ATOM 0 HG SER A 55 13.375 -5.100 -7.382 1.00 0.00 H new ATOM 59 N GLY A 56 11.271 -6.714 -9.767 1.00 0.00 N ATOM 60 CA GLY A 56 10.416 -5.833 -10.541 1.00 0.00 C ATOM 61 C GLY A 56 8.943 -6.133 -10.341 1.00 0.00 C ATOM 62 O GLY A 56 8.272 -6.615 -11.253 1.00 0.00 O ATOM 0 H GLY A 56 10.957 -7.683 -9.720 1.00 0.00 H new ATOM 0 HA2 GLY A 56 10.615 -4.799 -10.259 1.00 0.00 H new ATOM 0 HA3 GLY A 56 10.663 -5.928 -11.598 1.00 0.00 H new ATOM 66 N GLU A 57 8.440 -5.847 -9.144 1.00 0.00 N ATOM 67 CA GLU A 57 7.038 -6.092 -8.827 1.00 0.00 C ATOM 68 C GLU A 57 6.365 -4.820 -8.320 1.00 0.00 C ATOM 69 O GLU A 57 6.957 -4.022 -7.593 1.00 0.00 O ATOM 70 CB GLU A 57 6.915 -7.200 -7.779 1.00 0.00 C ATOM 71 CG GLU A 57 7.670 -6.909 -6.493 1.00 0.00 C ATOM 72 CD GLU A 57 9.098 -7.418 -6.527 1.00 0.00 C ATOM 73 OE1 GLU A 57 9.636 -7.604 -7.638 1.00 0.00 O ATOM 74 OE2 GLU A 57 9.677 -7.630 -5.441 1.00 0.00 O ATOM 0 H GLU A 57 8.982 -5.446 -8.379 1.00 0.00 H new ATOM 0 HA GLU A 57 6.535 -6.409 -9.741 1.00 0.00 H new ATOM 0 HB2 GLU A 57 5.861 -7.352 -7.545 1.00 0.00 H new ATOM 0 HB3 GLU A 57 7.285 -8.133 -8.204 1.00 0.00 H new ATOM 0 HG2 GLU A 57 7.676 -5.834 -6.315 1.00 0.00 H new ATOM 0 HG3 GLU A 57 7.144 -7.368 -5.656 1.00 0.00 H new ATOM 81 N PRO A 58 5.097 -4.625 -8.712 1.00 0.00 N ATOM 82 CA PRO A 58 4.316 -3.452 -8.309 1.00 0.00 C ATOM 83 C PRO A 58 3.957 -3.475 -6.827 1.00 0.00 C ATOM 84 O PRO A 58 3.713 -4.537 -6.254 1.00 0.00 O ATOM 85 CB PRO A 58 3.052 -3.556 -9.167 1.00 0.00 C ATOM 86 CG PRO A 58 2.925 -5.007 -9.479 1.00 0.00 C ATOM 87 CD PRO A 58 4.329 -5.535 -9.578 1.00 0.00 C ATOM 0 HA PRO A 58 4.870 -2.525 -8.452 1.00 0.00 H new ATOM 0 HB2 PRO A 58 2.178 -3.188 -8.630 1.00 0.00 H new ATOM 0 HB3 PRO A 58 3.141 -2.962 -10.076 1.00 0.00 H new ATOM 0 HG2 PRO A 58 2.367 -5.526 -8.700 1.00 0.00 H new ATOM 0 HG3 PRO A 58 2.384 -5.159 -10.413 1.00 0.00 H new ATOM 0 HD2 PRO A 58 4.395 -6.568 -9.235 1.00 0.00 H new ATOM 0 HD3 PRO A 58 4.694 -5.516 -10.605 1.00 0.00 H new ATOM 95 N VAL A 59 3.927 -2.297 -6.212 1.00 0.00 N ATOM 96 CA VAL A 59 3.596 -2.183 -4.796 1.00 0.00 C ATOM 97 C VAL A 59 2.087 -2.204 -4.581 1.00 0.00 C ATOM 98 O VAL A 59 1.420 -1.174 -4.683 1.00 0.00 O ATOM 99 CB VAL A 59 4.172 -0.891 -4.188 1.00 0.00 C ATOM 100 CG1 VAL A 59 3.761 -0.757 -2.730 1.00 0.00 C ATOM 101 CG2 VAL A 59 5.687 -0.866 -4.328 1.00 0.00 C ATOM 0 H VAL A 59 4.128 -1.409 -6.671 1.00 0.00 H new ATOM 0 HA VAL A 59 4.043 -3.042 -4.296 1.00 0.00 H new ATOM 0 HB VAL A 59 3.765 -0.040 -4.735 1.00 0.00 H new ATOM 0 HG11 VAL A 59 4.177 0.162 -2.318 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.674 -0.726 -2.660 1.00 0.00 H new ATOM 0 HG13 VAL A 59 4.137 -1.611 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 59 6.077 0.054 -3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 59 6.115 -1.723 -3.808 1.00 0.00 H new ATOM 0 HG23 VAL A 59 5.956 -0.911 -5.383 1.00 0.00 H new ATOM 111 N LEU A 60 1.554 -3.383 -4.282 1.00 0.00 N ATOM 112 CA LEU A 60 0.122 -3.540 -4.051 1.00 0.00 C ATOM 113 C LEU A 60 -0.285 -2.924 -2.716 1.00 0.00 C ATOM 114 O LEU A 60 0.461 -2.987 -1.738 1.00 0.00 O ATOM 115 CB LEU A 60 -0.261 -5.021 -4.080 1.00 0.00 C ATOM 116 CG LEU A 60 -0.334 -5.668 -5.463 1.00 0.00 C ATOM 117 CD1 LEU A 60 -1.383 -4.978 -6.321 1.00 0.00 C ATOM 118 CD2 LEU A 60 1.026 -5.626 -6.144 1.00 0.00 C ATOM 0 H LEU A 60 2.092 -4.245 -4.194 1.00 0.00 H new ATOM 0 HA LEU A 60 -0.408 -3.019 -4.848 1.00 0.00 H new ATOM 0 HB2 LEU A 60 0.461 -5.574 -3.480 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.231 -5.134 -3.596 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.624 -6.711 -5.340 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.420 -5.452 -7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.358 -5.061 -5.840 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.124 -3.926 -6.437 1.00 0.00 H new ATOM 0 HD21 LEU A 60 0.955 -6.091 -7.127 1.00 0.00 H new ATOM 0 HD22 LEU A 60 1.346 -4.590 -6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 60 1.753 -6.167 -5.538 1.00 0.00 H new ATOM 130 N CYS A 61 -1.473 -2.329 -2.683 1.00 0.00 N ATOM 131 CA CYS A 61 -1.981 -1.703 -1.468 1.00 0.00 C ATOM 132 C CYS A 61 -2.099 -2.722 -0.339 1.00 0.00 C ATOM 133 O CYS A 61 -2.358 -3.902 -0.578 1.00 0.00 O ATOM 134 CB CYS A 61 -3.343 -1.059 -1.733 1.00 0.00 C ATOM 135 SG CYS A 61 -3.813 0.214 -0.517 1.00 0.00 S ATOM 0 H CYS A 61 -2.102 -2.267 -3.484 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.274 -0.931 -1.164 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.334 -0.611 -2.727 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -4.106 -1.838 -1.741 1.00 0.00 H new ATOM 140 N SER A 62 -1.906 -2.259 0.892 1.00 0.00 N ATOM 141 CA SER A 62 -1.988 -3.130 2.059 1.00 0.00 C ATOM 142 C SER A 62 -3.371 -3.763 2.169 1.00 0.00 C ATOM 143 O SER A 62 -3.500 -4.974 2.348 1.00 0.00 O ATOM 144 CB SER A 62 -1.671 -2.343 3.332 1.00 0.00 C ATOM 145 OG SER A 62 -2.683 -1.390 3.607 1.00 0.00 O ATOM 0 H SER A 62 -1.692 -1.285 1.107 1.00 0.00 H new ATOM 0 HA SER A 62 -1.253 -3.926 1.940 1.00 0.00 H new ATOM 0 HB2 SER A 62 -1.575 -3.029 4.173 1.00 0.00 H new ATOM 0 HB3 SER A 62 -0.711 -1.838 3.222 1.00 0.00 H new ATOM 0 HG SER A 62 -2.270 -0.535 3.850 1.00 0.00 H new ATOM 151 N ARG A 63 -4.405 -2.934 2.059 1.00 0.00 N ATOM 152 CA ARG A 63 -5.779 -3.411 2.148 1.00 0.00 C ATOM 153 C ARG A 63 -6.055 -4.473 1.088 1.00 0.00 C ATOM 154 O ARG A 63 -5.717 -4.301 -0.084 1.00 0.00 O ATOM 155 CB ARG A 63 -6.757 -2.246 1.985 1.00 0.00 C ATOM 156 CG ARG A 63 -8.060 -2.434 2.745 1.00 0.00 C ATOM 157 CD ARG A 63 -9.069 -1.351 2.397 1.00 0.00 C ATOM 158 NE ARG A 63 -8.866 -0.139 3.187 1.00 0.00 N ATOM 159 CZ ARG A 63 -9.825 0.747 3.433 1.00 0.00 C ATOM 160 NH1 ARG A 63 -11.046 0.558 2.953 1.00 0.00 N ATOM 161 NH2 ARG A 63 -9.563 1.825 4.161 1.00 0.00 N ATOM 0 H ARG A 63 -4.316 -1.929 1.908 1.00 0.00 H new ATOM 0 HA ARG A 63 -5.919 -3.859 3.132 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -6.277 -1.329 2.326 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -6.979 -2.115 0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -8.480 -3.413 2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.863 -2.418 3.817 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -8.991 -1.110 1.337 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -10.078 -1.728 2.565 1.00 0.00 H new ATOM 0 HE ARG A 63 -7.937 0.037 3.571 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -11.251 -0.269 2.393 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -11.780 1.240 3.144 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -8.625 1.974 4.532 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -10.300 2.505 4.349 1.00 0.00 H new ATOM 175 N THR A 64 -6.672 -5.574 1.507 1.00 0.00 N ATOM 176 CA THR A 64 -6.992 -6.665 0.595 1.00 0.00 C ATOM 177 C THR A 64 -8.056 -6.245 -0.413 1.00 0.00 C ATOM 178 O THR A 64 -7.912 -6.470 -1.615 1.00 0.00 O ATOM 179 CB THR A 64 -7.486 -7.909 1.358 1.00 0.00 C ATOM 180 OG1 THR A 64 -8.674 -7.593 2.093 1.00 0.00 O ATOM 181 CG2 THR A 64 -6.416 -8.420 2.310 1.00 0.00 C ATOM 0 H THR A 64 -6.960 -5.733 2.472 1.00 0.00 H new ATOM 0 HA THR A 64 -6.072 -6.914 0.066 1.00 0.00 H new ATOM 0 HB THR A 64 -7.706 -8.691 0.631 1.00 0.00 H new ATOM 0 HG1 THR A 64 -8.983 -8.389 2.574 1.00 0.00 H new ATOM 0 HG21 THR A 64 -6.788 -9.299 2.837 1.00 0.00 H new ATOM 0 HG22 THR A 64 -5.523 -8.687 1.744 1.00 0.00 H new ATOM 0 HG23 THR A 64 -6.169 -7.641 3.032 1.00 0.00 H new ATOM 189 N THR A 65 -9.127 -5.634 0.084 1.00 0.00 N ATOM 190 CA THR A 65 -10.216 -5.183 -0.773 1.00 0.00 C ATOM 191 C THR A 65 -9.723 -4.174 -1.804 1.00 0.00 C ATOM 192 O THR A 65 -10.192 -4.154 -2.942 1.00 0.00 O ATOM 193 CB THR A 65 -11.351 -4.545 0.051 1.00 0.00 C ATOM 194 OG1 THR A 65 -10.836 -3.472 0.846 1.00 0.00 O ATOM 195 CG2 THR A 65 -12.013 -5.577 0.950 1.00 0.00 C ATOM 0 H THR A 65 -9.263 -5.440 1.076 1.00 0.00 H new ATOM 0 HA THR A 65 -10.600 -6.064 -1.287 1.00 0.00 H new ATOM 0 HB THR A 65 -12.098 -4.157 -0.641 1.00 0.00 H new ATOM 0 HG1 THR A 65 -11.564 -3.071 1.365 1.00 0.00 H new ATOM 0 HG21 THR A 65 -12.811 -5.103 1.522 1.00 0.00 H new ATOM 0 HG22 THR A 65 -12.430 -6.377 0.339 1.00 0.00 H new ATOM 0 HG23 THR A 65 -11.273 -5.991 1.635 1.00 0.00 H new ATOM 203 N CYS A 66 -8.773 -3.337 -1.399 1.00 0.00 N ATOM 204 CA CYS A 66 -8.215 -2.325 -2.288 1.00 0.00 C ATOM 205 C CYS A 66 -7.173 -2.935 -3.220 1.00 0.00 C ATOM 206 O CYS A 66 -7.382 -3.022 -4.430 1.00 0.00 O ATOM 207 CB CYS A 66 -7.587 -1.193 -1.474 1.00 0.00 C ATOM 208 SG CYS A 66 -7.081 0.246 -2.470 1.00 0.00 S ATOM 0 H CYS A 66 -8.374 -3.340 -0.460 1.00 0.00 H new ATOM 0 HA CYS A 66 -9.026 -1.921 -2.894 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -8.300 -0.865 -0.717 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -6.716 -1.580 -0.945 1.00 0.00 H new ATOM 213 N ARG A 67 -6.050 -3.357 -2.648 1.00 0.00 N ATOM 214 CA ARG A 67 -4.975 -3.959 -3.428 1.00 0.00 C ATOM 215 C ARG A 67 -4.768 -3.207 -4.739 1.00 0.00 C ATOM 216 O ARG A 67 -4.493 -3.810 -5.776 1.00 0.00 O ATOM 217 CB ARG A 67 -5.284 -5.429 -3.714 1.00 0.00 C ATOM 218 CG ARG A 67 -5.203 -6.319 -2.485 1.00 0.00 C ATOM 219 CD ARG A 67 -3.769 -6.473 -2.002 1.00 0.00 C ATOM 220 NE ARG A 67 -3.653 -7.467 -0.939 1.00 0.00 N ATOM 221 CZ ARG A 67 -3.524 -8.770 -1.162 1.00 0.00 C ATOM 222 NH1 ARG A 67 -3.494 -9.234 -2.403 1.00 0.00 N ATOM 223 NH2 ARG A 67 -3.424 -9.613 -0.141 1.00 0.00 N ATOM 0 H ARG A 67 -5.861 -3.293 -1.648 1.00 0.00 H new ATOM 0 HA ARG A 67 -4.057 -3.896 -2.844 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -6.284 -5.505 -4.142 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -4.587 -5.798 -4.466 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -5.813 -5.896 -1.687 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -5.617 -7.300 -2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -3.134 -6.762 -2.839 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -3.403 -5.512 -1.641 1.00 0.00 H new ATOM 0 HE ARG A 67 -3.672 -7.143 0.028 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.570 -8.590 -3.190 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.395 -10.235 -2.571 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -3.446 -9.260 0.816 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -3.325 -10.613 -0.313 1.00 0.00 H new ATOM 237 N ALA A 68 -4.903 -1.886 -4.686 1.00 0.00 N ATOM 238 CA ALA A 68 -4.729 -1.051 -5.868 1.00 0.00 C ATOM 239 C ALA A 68 -3.265 -0.673 -6.064 1.00 0.00 C ATOM 240 O ALA A 68 -2.725 0.159 -5.334 1.00 0.00 O ATOM 241 CB ALA A 68 -5.590 0.199 -5.762 1.00 0.00 C ATOM 0 H ALA A 68 -5.133 -1.371 -3.836 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.047 -1.625 -6.738 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.450 0.814 -6.651 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -6.639 -0.087 -5.680 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.299 0.768 -4.879 1.00 0.00 H new ATOM 247 N VAL A 69 -2.626 -1.291 -7.052 1.00 0.00 N ATOM 248 CA VAL A 69 -1.224 -1.019 -7.344 1.00 0.00 C ATOM 249 C VAL A 69 -0.897 0.457 -7.146 1.00 0.00 C ATOM 250 O VAL A 69 -1.720 1.330 -7.428 1.00 0.00 O ATOM 251 CB VAL A 69 -0.861 -1.424 -8.785 1.00 0.00 C ATOM 252 CG1 VAL A 69 -1.724 -0.670 -9.785 1.00 0.00 C ATOM 253 CG2 VAL A 69 0.616 -1.178 -9.051 1.00 0.00 C ATOM 0 H VAL A 69 -3.057 -1.984 -7.664 1.00 0.00 H new ATOM 0 HA VAL A 69 -0.635 -1.616 -6.647 1.00 0.00 H new ATOM 0 HB VAL A 69 -1.056 -2.490 -8.904 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -1.453 -0.969 -10.798 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -2.774 -0.902 -9.607 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -1.564 0.402 -9.668 1.00 0.00 H new ATOM 0 HG21 VAL A 69 0.855 -1.470 -10.074 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.839 -0.120 -8.914 1.00 0.00 H new ATOM 0 HG23 VAL A 69 1.214 -1.768 -8.356 1.00 0.00 H new ATOM 263 N LEU A 70 0.308 0.731 -6.658 1.00 0.00 N ATOM 264 CA LEU A 70 0.745 2.102 -6.422 1.00 0.00 C ATOM 265 C LEU A 70 0.545 2.959 -7.668 1.00 0.00 C ATOM 266 O LEU A 70 1.032 2.626 -8.747 1.00 0.00 O ATOM 267 CB LEU A 70 2.216 2.125 -6.003 1.00 0.00 C ATOM 268 CG LEU A 70 2.698 3.402 -5.315 1.00 0.00 C ATOM 269 CD1 LEU A 70 2.304 3.398 -3.846 1.00 0.00 C ATOM 270 CD2 LEU A 70 4.205 3.553 -5.464 1.00 0.00 C ATOM 0 H LEU A 70 1.000 0.021 -6.418 1.00 0.00 H new ATOM 0 HA LEU A 70 0.139 2.517 -5.617 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.395 1.285 -5.332 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.828 1.961 -6.890 1.00 0.00 H new ATOM 0 HG LEU A 70 2.218 4.254 -5.797 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.655 4.315 -3.373 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.219 3.338 -3.760 1.00 0.00 H new ATOM 0 HD13 LEU A 70 2.755 2.538 -3.351 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.530 4.468 -4.968 1.00 0.00 H new ATOM 0 HD22 LEU A 70 4.703 2.697 -5.009 1.00 0.00 H new ATOM 0 HD23 LEU A 70 4.463 3.603 -6.522 1.00 0.00 H new ATOM 282 N ASN A 71 -0.173 4.067 -7.510 1.00 0.00 N ATOM 283 CA ASN A 71 -0.435 4.973 -8.622 1.00 0.00 C ATOM 284 C ASN A 71 0.169 6.349 -8.356 1.00 0.00 C ATOM 285 O ASN A 71 0.418 6.735 -7.214 1.00 0.00 O ATOM 286 CB ASN A 71 -1.941 5.102 -8.858 1.00 0.00 C ATOM 287 CG ASN A 71 -2.727 5.156 -7.561 1.00 0.00 C ATOM 288 OD1 ASN A 71 -3.046 6.234 -7.060 1.00 0.00 O ATOM 289 ND2 ASN A 71 -3.042 3.989 -7.012 1.00 0.00 N ATOM 0 H ASN A 71 -0.583 4.358 -6.623 1.00 0.00 H new ATOM 0 HA ASN A 71 0.032 4.557 -9.515 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -2.139 6.004 -9.438 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -2.286 4.257 -9.454 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -3.570 3.962 -6.139 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -2.756 3.120 -7.463 1.00 0.00 H new ATOM 296 N PRO A 72 0.410 7.107 -9.436 1.00 0.00 N ATOM 297 CA PRO A 72 0.986 8.452 -9.346 1.00 0.00 C ATOM 298 C PRO A 72 0.018 9.458 -8.734 1.00 0.00 C ATOM 299 O PRO A 72 0.403 10.576 -8.387 1.00 0.00 O ATOM 300 CB PRO A 72 1.279 8.811 -10.805 1.00 0.00 C ATOM 301 CG PRO A 72 0.321 7.990 -11.596 1.00 0.00 C ATOM 302 CD PRO A 72 0.138 6.711 -10.828 1.00 0.00 C ATOM 0 HA PRO A 72 1.865 8.476 -8.702 1.00 0.00 H new ATOM 0 HB2 PRO A 72 1.133 9.876 -10.988 1.00 0.00 H new ATOM 0 HB3 PRO A 72 2.311 8.581 -11.070 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -0.629 8.510 -11.720 1.00 0.00 H new ATOM 0 HG3 PRO A 72 0.709 7.793 -12.595 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -0.871 6.314 -10.943 1.00 0.00 H new ATOM 0 HD3 PRO A 72 0.826 5.937 -11.167 1.00 0.00 H new ATOM 310 N LEU A 73 -1.241 9.056 -8.602 1.00 0.00 N ATOM 311 CA LEU A 73 -2.266 9.922 -8.031 1.00 0.00 C ATOM 312 C LEU A 73 -2.183 9.932 -6.508 1.00 0.00 C ATOM 313 O LEU A 73 -2.365 10.972 -5.873 1.00 0.00 O ATOM 314 CB LEU A 73 -3.656 9.462 -8.474 1.00 0.00 C ATOM 315 CG LEU A 73 -4.142 9.997 -9.822 1.00 0.00 C ATOM 316 CD1 LEU A 73 -5.348 9.207 -10.306 1.00 0.00 C ATOM 317 CD2 LEU A 73 -4.478 11.478 -9.718 1.00 0.00 C ATOM 0 H LEU A 73 -1.577 8.135 -8.883 1.00 0.00 H new ATOM 0 HA LEU A 73 -2.093 10.935 -8.393 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -3.660 8.373 -8.515 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -4.375 9.755 -7.709 1.00 0.00 H new ATOM 0 HG LEU A 73 -3.340 9.877 -10.550 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -5.680 9.602 -11.266 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -5.074 8.158 -10.420 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.156 9.294 -9.579 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -4.822 11.842 -10.686 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.264 11.622 -8.976 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -3.589 12.032 -9.417 1.00 0.00 H new ATOM 329 N CYS A 74 -1.907 8.770 -5.928 1.00 0.00 N ATOM 330 CA CYS A 74 -1.798 8.645 -4.478 1.00 0.00 C ATOM 331 C CYS A 74 -0.942 9.766 -3.899 1.00 0.00 C ATOM 332 O CYS A 74 -0.081 10.319 -4.583 1.00 0.00 O ATOM 333 CB CYS A 74 -1.202 7.287 -4.106 1.00 0.00 C ATOM 334 SG CYS A 74 -2.326 5.893 -4.356 1.00 0.00 S ATOM 0 H CYS A 74 -1.754 7.900 -6.439 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.800 8.722 -4.055 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -0.301 7.124 -4.697 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -0.897 7.311 -3.060 1.00 0.00 H new ATOM 0 HG CYS A 74 -2.971 6.051 -5.474 1.00 0.00 H new ATOM 340 N GLN A 75 -1.186 10.097 -2.635 1.00 0.00 N ATOM 341 CA GLN A 75 -0.438 11.154 -1.965 1.00 0.00 C ATOM 342 C GLN A 75 0.902 10.635 -1.456 1.00 0.00 C ATOM 343 O GLN A 75 0.993 10.095 -0.353 1.00 0.00 O ATOM 344 CB GLN A 75 -1.252 11.725 -0.801 1.00 0.00 C ATOM 345 CG GLN A 75 -2.600 12.288 -1.221 1.00 0.00 C ATOM 346 CD GLN A 75 -2.499 13.218 -2.414 1.00 0.00 C ATOM 347 OE1 GLN A 75 -1.866 14.272 -2.341 1.00 0.00 O ATOM 348 NE2 GLN A 75 -3.123 12.833 -3.520 1.00 0.00 N ATOM 0 H GLN A 75 -1.895 9.649 -2.055 1.00 0.00 H new ATOM 0 HA GLN A 75 -0.249 11.945 -2.690 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -1.410 10.942 -0.060 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -0.674 12.512 -0.316 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -3.273 11.466 -1.462 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -3.042 12.826 -0.382 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -3.636 11.951 -3.536 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -3.090 13.419 -4.354 1.00 0.00 H new ATOM 357 N VAL A 76 1.942 10.801 -2.268 1.00 0.00 N ATOM 358 CA VAL A 76 3.279 10.350 -1.900 1.00 0.00 C ATOM 359 C VAL A 76 3.976 11.368 -1.005 1.00 0.00 C ATOM 360 O VAL A 76 4.282 12.481 -1.434 1.00 0.00 O ATOM 361 CB VAL A 76 4.148 10.097 -3.146 1.00 0.00 C ATOM 362 CG1 VAL A 76 5.556 9.686 -2.740 1.00 0.00 C ATOM 363 CG2 VAL A 76 3.511 9.040 -4.035 1.00 0.00 C ATOM 0 H VAL A 76 1.884 11.244 -3.185 1.00 0.00 H new ATOM 0 HA VAL A 76 3.158 9.414 -1.354 1.00 0.00 H new ATOM 0 HB VAL A 76 4.215 11.024 -3.715 1.00 0.00 H new ATOM 0 HG11 VAL A 76 6.156 9.511 -3.633 1.00 0.00 H new ATOM 0 HG12 VAL A 76 6.010 10.480 -2.147 1.00 0.00 H new ATOM 0 HG13 VAL A 76 5.512 8.772 -2.148 1.00 0.00 H new ATOM 0 HG21 VAL A 76 4.139 8.874 -4.910 1.00 0.00 H new ATOM 0 HG22 VAL A 76 3.411 8.108 -3.478 1.00 0.00 H new ATOM 0 HG23 VAL A 76 2.525 9.379 -4.354 1.00 0.00 H new ATOM 373 N ASP A 77 4.225 10.980 0.241 1.00 0.00 N ATOM 374 CA ASP A 77 4.888 11.859 1.197 1.00 0.00 C ATOM 375 C ASP A 77 6.316 11.393 1.465 1.00 0.00 C ATOM 376 O ASP A 77 6.696 11.151 2.611 1.00 0.00 O ATOM 377 CB ASP A 77 4.101 11.909 2.508 1.00 0.00 C ATOM 378 CG ASP A 77 4.259 13.233 3.228 1.00 0.00 C ATOM 379 OD1 ASP A 77 5.404 13.581 3.587 1.00 0.00 O ATOM 380 OD2 ASP A 77 3.238 13.922 3.433 1.00 0.00 O ATOM 0 H ASP A 77 3.978 10.063 0.612 1.00 0.00 H new ATOM 0 HA ASP A 77 4.926 12.860 0.766 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.045 11.735 2.301 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.435 11.102 3.160 1.00 0.00 H new ATOM 385 N TYR A 78 7.100 11.266 0.400 1.00 0.00 N ATOM 386 CA TYR A 78 8.485 10.825 0.520 1.00 0.00 C ATOM 387 C TYR A 78 9.110 11.338 1.813 1.00 0.00 C ATOM 388 O TYR A 78 9.854 10.621 2.483 1.00 0.00 O ATOM 389 CB TYR A 78 9.301 11.307 -0.681 1.00 0.00 C ATOM 390 CG TYR A 78 9.023 10.536 -1.951 1.00 0.00 C ATOM 391 CD1 TYR A 78 9.151 9.154 -1.990 1.00 0.00 C ATOM 392 CD2 TYR A 78 8.631 11.191 -3.113 1.00 0.00 C ATOM 393 CE1 TYR A 78 8.898 8.445 -3.149 1.00 0.00 C ATOM 394 CE2 TYR A 78 8.375 10.491 -4.276 1.00 0.00 C ATOM 395 CZ TYR A 78 8.511 9.118 -4.289 1.00 0.00 C ATOM 396 OH TYR A 78 8.257 8.416 -5.445 1.00 0.00 O ATOM 0 H TYR A 78 6.801 11.462 -0.555 1.00 0.00 H new ATOM 0 HA TYR A 78 8.492 9.735 0.542 1.00 0.00 H new ATOM 0 HB2 TYR A 78 9.090 12.362 -0.853 1.00 0.00 H new ATOM 0 HB3 TYR A 78 10.362 11.229 -0.444 1.00 0.00 H new ATOM 0 HD1 TYR A 78 9.454 8.624 -1.099 1.00 0.00 H new ATOM 0 HD2 TYR A 78 8.525 12.266 -3.106 1.00 0.00 H new ATOM 0 HE1 TYR A 78 9.003 7.370 -3.162 1.00 0.00 H new ATOM 0 HE2 TYR A 78 8.070 11.015 -5.170 1.00 0.00 H new ATOM 0 HH TYR A 78 7.994 9.039 -6.155 1.00 0.00 H new ATOM 406 N ARG A 79 8.803 12.584 2.158 1.00 0.00 N ATOM 407 CA ARG A 79 9.335 13.194 3.371 1.00 0.00 C ATOM 408 C ARG A 79 9.071 12.309 4.586 1.00 0.00 C ATOM 409 O ARG A 79 9.999 11.918 5.294 1.00 0.00 O ATOM 410 CB ARG A 79 8.712 14.574 3.588 1.00 0.00 C ATOM 411 CG ARG A 79 9.489 15.703 2.932 1.00 0.00 C ATOM 412 CD ARG A 79 10.649 16.161 3.803 1.00 0.00 C ATOM 413 NE ARG A 79 11.874 15.420 3.517 1.00 0.00 N ATOM 414 CZ ARG A 79 12.717 15.741 2.543 1.00 0.00 C ATOM 415 NH1 ARG A 79 12.469 16.786 1.765 1.00 0.00 N ATOM 416 NH2 ARG A 79 13.812 15.017 2.345 1.00 0.00 N ATOM 0 H ARG A 79 8.189 13.191 1.615 1.00 0.00 H new ATOM 0 HA ARG A 79 10.413 13.303 3.250 1.00 0.00 H new ATOM 0 HB2 ARG A 79 7.695 14.569 3.197 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.641 14.767 4.658 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.867 15.372 1.965 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.821 16.543 2.742 1.00 0.00 H new ATOM 0 HD2 ARG A 79 10.824 17.225 3.644 1.00 0.00 H new ATOM 0 HD3 ARG A 79 10.386 16.035 4.853 1.00 0.00 H new ATOM 0 HE ARG A 79 12.094 14.611 4.098 1.00 0.00 H new ATOM 0 HH11 ARG A 79 11.629 17.345 1.914 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.118 17.031 1.017 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.007 14.213 2.942 1.00 0.00 H new ATOM 0 HH22 ARG A 79 14.459 15.265 1.596 1.00 0.00 H new ATOM 430 N ALA A 80 7.801 11.997 4.820 1.00 0.00 N ATOM 431 CA ALA A 80 7.416 11.157 5.947 1.00 0.00 C ATOM 432 C ALA A 80 7.329 9.691 5.536 1.00 0.00 C ATOM 433 O ALA A 80 6.613 8.903 6.154 1.00 0.00 O ATOM 434 CB ALA A 80 6.088 11.625 6.525 1.00 0.00 C ATOM 0 H ALA A 80 7.021 12.313 4.244 1.00 0.00 H new ATOM 0 HA ALA A 80 8.185 11.247 6.714 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.813 10.989 7.366 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.183 12.656 6.866 1.00 0.00 H new ATOM 0 HB3 ALA A 80 5.316 11.566 5.758 1.00 0.00 H new ATOM 440 N LYS A 81 8.061 9.332 4.487 1.00 0.00 N ATOM 441 CA LYS A 81 8.068 7.960 3.992 1.00 0.00 C ATOM 442 C LYS A 81 6.698 7.313 4.165 1.00 0.00 C ATOM 443 O LYS A 81 6.592 6.172 4.618 1.00 0.00 O ATOM 444 CB LYS A 81 9.130 7.137 4.725 1.00 0.00 C ATOM 445 CG LYS A 81 10.530 7.716 4.618 1.00 0.00 C ATOM 446 CD LYS A 81 11.385 7.331 5.814 1.00 0.00 C ATOM 447 CE LYS A 81 12.854 7.644 5.572 1.00 0.00 C ATOM 448 NZ LYS A 81 13.684 7.375 6.779 1.00 0.00 N ATOM 0 H LYS A 81 8.657 9.972 3.963 1.00 0.00 H new ATOM 0 HA LYS A 81 8.307 7.984 2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 81 8.857 7.062 5.777 1.00 0.00 H new ATOM 0 HB3 LYS A 81 9.133 6.124 4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 81 11.003 7.361 3.702 1.00 0.00 H new ATOM 0 HG3 LYS A 81 10.471 8.802 4.546 1.00 0.00 H new ATOM 0 HD2 LYS A 81 11.038 7.866 6.698 1.00 0.00 H new ATOM 0 HD3 LYS A 81 11.267 6.267 6.019 1.00 0.00 H new ATOM 0 HE2 LYS A 81 13.220 7.045 4.738 1.00 0.00 H new ATOM 0 HE3 LYS A 81 12.960 8.690 5.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 14.678 7.601 6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 13.351 7.965 7.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 13.603 6.371 7.039 1.00 0.00 H new ATOM 462 N LEU A 82 5.652 8.046 3.801 1.00 0.00 N ATOM 463 CA LEU A 82 4.288 7.542 3.914 1.00 0.00 C ATOM 464 C LEU A 82 3.464 7.919 2.687 1.00 0.00 C ATOM 465 O LEU A 82 3.372 9.092 2.325 1.00 0.00 O ATOM 466 CB LEU A 82 3.623 8.093 5.177 1.00 0.00 C ATOM 467 CG LEU A 82 3.950 7.363 6.480 1.00 0.00 C ATOM 468 CD1 LEU A 82 3.550 8.208 7.680 1.00 0.00 C ATOM 469 CD2 LEU A 82 3.255 6.010 6.523 1.00 0.00 C ATOM 0 H LEU A 82 5.722 8.992 3.425 1.00 0.00 H new ATOM 0 HA LEU A 82 4.333 6.455 3.978 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.910 9.139 5.288 1.00 0.00 H new ATOM 0 HB3 LEU A 82 2.543 8.072 5.033 1.00 0.00 H new ATOM 0 HG LEU A 82 5.027 7.197 6.520 1.00 0.00 H new ATOM 0 HD11 LEU A 82 3.790 7.672 8.598 1.00 0.00 H new ATOM 0 HD12 LEU A 82 4.094 9.152 7.658 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.479 8.406 7.645 1.00 0.00 H new ATOM 0 HD21 LEU A 82 3.499 5.505 7.458 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.176 6.153 6.459 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.591 5.402 5.683 1.00 0.00 H new ATOM 481 N TRP A 83 2.867 6.917 2.052 1.00 0.00 N ATOM 482 CA TRP A 83 2.048 7.143 0.866 1.00 0.00 C ATOM 483 C TRP A 83 0.599 6.744 1.120 1.00 0.00 C ATOM 484 O TRP A 83 0.297 5.570 1.332 1.00 0.00 O ATOM 485 CB TRP A 83 2.606 6.357 -0.322 1.00 0.00 C ATOM 486 CG TRP A 83 2.523 4.872 -0.143 1.00 0.00 C ATOM 487 CD1 TRP A 83 3.424 4.071 0.499 1.00 0.00 C ATOM 488 CD2 TRP A 83 1.481 4.009 -0.613 1.00 0.00 C ATOM 489 NE1 TRP A 83 3.006 2.763 0.456 1.00 0.00 N ATOM 490 CE2 TRP A 83 1.816 2.699 -0.220 1.00 0.00 C ATOM 491 CE3 TRP A 83 0.297 4.217 -1.326 1.00 0.00 C ATOM 492 CZ2 TRP A 83 1.009 1.603 -0.518 1.00 0.00 C ATOM 493 CZ3 TRP A 83 -0.502 3.128 -1.621 1.00 0.00 C ATOM 494 CH2 TRP A 83 -0.144 1.836 -1.217 1.00 0.00 C ATOM 0 H TRP A 83 2.934 5.940 2.338 1.00 0.00 H new ATOM 0 HA TRP A 83 2.076 8.208 0.634 1.00 0.00 H new ATOM 0 HB2 TRP A 83 2.061 6.638 -1.223 1.00 0.00 H new ATOM 0 HB3 TRP A 83 3.647 6.639 -0.478 1.00 0.00 H new ATOM 0 HD1 TRP A 83 4.332 4.415 0.971 1.00 0.00 H new ATOM 0 HE1 TRP A 83 3.501 1.969 0.861 1.00 0.00 H new ATOM 0 HE3 TRP A 83 0.012 5.210 -1.641 1.00 0.00 H new ATOM 0 HZ2 TRP A 83 1.284 0.605 -0.208 1.00 0.00 H new ATOM 0 HZ3 TRP A 83 -1.418 3.276 -2.173 1.00 0.00 H new ATOM 0 HH2 TRP A 83 -0.791 1.007 -1.462 1.00 0.00 H new ATOM 505 N ALA A 84 -0.294 7.728 1.096 1.00 0.00 N ATOM 506 CA ALA A 84 -1.712 7.478 1.322 1.00 0.00 C ATOM 507 C ALA A 84 -2.419 7.113 0.021 1.00 0.00 C ATOM 508 O ALA A 84 -2.149 7.697 -1.029 1.00 0.00 O ATOM 509 CB ALA A 84 -2.368 8.694 1.958 1.00 0.00 C ATOM 0 H ALA A 84 -0.060 8.706 0.922 1.00 0.00 H new ATOM 0 HA ALA A 84 -1.802 6.632 2.004 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -3.427 8.493 2.121 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -1.888 8.908 2.913 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.260 9.554 1.296 1.00 0.00 H new ATOM 515 N CYS A 85 -3.326 6.145 0.096 1.00 0.00 N ATOM 516 CA CYS A 85 -4.071 5.701 -1.075 1.00 0.00 C ATOM 517 C CYS A 85 -5.131 6.727 -1.466 1.00 0.00 C ATOM 518 O CYS A 85 -5.608 7.492 -0.628 1.00 0.00 O ATOM 519 CB CYS A 85 -4.731 4.348 -0.804 1.00 0.00 C ATOM 520 SG CYS A 85 -5.084 3.378 -2.305 1.00 0.00 S ATOM 0 H CYS A 85 -3.563 5.653 0.957 1.00 0.00 H new ATOM 0 HA CYS A 85 -3.369 5.595 -1.902 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -4.082 3.764 -0.151 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -5.663 4.512 -0.263 1.00 0.00 H new ATOM 525 N ASN A 86 -5.495 6.736 -2.744 1.00 0.00 N ATOM 526 CA ASN A 86 -6.499 7.667 -3.247 1.00 0.00 C ATOM 527 C ASN A 86 -7.891 7.045 -3.199 1.00 0.00 C ATOM 528 O ASN A 86 -8.899 7.752 -3.180 1.00 0.00 O ATOM 529 CB ASN A 86 -6.164 8.086 -4.680 1.00 0.00 C ATOM 530 CG ASN A 86 -6.710 7.114 -5.708 1.00 0.00 C ATOM 531 OD1 ASN A 86 -7.909 7.099 -5.989 1.00 0.00 O ATOM 532 ND2 ASN A 86 -5.830 6.298 -6.276 1.00 0.00 N ATOM 0 H ASN A 86 -5.110 6.109 -3.450 1.00 0.00 H new ATOM 0 HA ASN A 86 -6.493 8.549 -2.607 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -6.571 9.079 -4.870 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -5.082 8.159 -4.791 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -6.138 5.623 -6.976 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -4.846 6.346 -6.012 1.00 0.00 H new ATOM 539 N PHE A 87 -7.939 5.717 -3.178 1.00 0.00 N ATOM 540 CA PHE A 87 -9.207 4.999 -3.133 1.00 0.00 C ATOM 541 C PHE A 87 -9.574 4.632 -1.698 1.00 0.00 C ATOM 542 O PHE A 87 -10.455 5.245 -1.094 1.00 0.00 O ATOM 543 CB PHE A 87 -9.132 3.734 -3.991 1.00 0.00 C ATOM 544 CG PHE A 87 -8.749 4.000 -5.418 1.00 0.00 C ATOM 545 CD1 PHE A 87 -9.549 4.789 -6.229 1.00 0.00 C ATOM 546 CD2 PHE A 87 -7.588 3.461 -5.950 1.00 0.00 C ATOM 547 CE1 PHE A 87 -9.199 5.035 -7.543 1.00 0.00 C ATOM 548 CE2 PHE A 87 -7.232 3.704 -7.263 1.00 0.00 C ATOM 549 CZ PHE A 87 -8.038 4.492 -8.061 1.00 0.00 C ATOM 0 H PHE A 87 -7.115 5.117 -3.191 1.00 0.00 H new ATOM 0 HA PHE A 87 -9.981 5.655 -3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -8.408 3.048 -3.551 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -10.100 3.233 -3.970 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -10.457 5.217 -5.829 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -6.954 2.844 -5.331 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -9.832 5.651 -8.165 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.324 3.278 -7.665 1.00 0.00 H new ATOM 0 HZ PHE A 87 -7.762 4.684 -9.087 1.00 0.00 H new ATOM 559 N CYS A 88 -8.891 3.629 -1.157 1.00 0.00 N ATOM 560 CA CYS A 88 -9.144 3.178 0.206 1.00 0.00 C ATOM 561 C CYS A 88 -8.782 4.265 1.214 1.00 0.00 C ATOM 562 O CYS A 88 -9.319 4.304 2.321 1.00 0.00 O ATOM 563 CB CYS A 88 -8.345 1.907 0.502 1.00 0.00 C ATOM 564 SG CYS A 88 -6.574 2.197 0.811 1.00 0.00 S ATOM 0 H CYS A 88 -8.157 3.113 -1.642 1.00 0.00 H new ATOM 0 HA CYS A 88 -10.208 2.960 0.298 1.00 0.00 H new ATOM 0 HB2 CYS A 88 -8.778 1.413 1.371 1.00 0.00 H new ATOM 0 HB3 CYS A 88 -8.449 1.221 -0.339 1.00 0.00 H new ATOM 569 N TYR A 89 -7.867 5.146 0.823 1.00 0.00 N ATOM 570 CA TYR A 89 -7.431 6.232 1.692 1.00 0.00 C ATOM 571 C TYR A 89 -6.807 5.688 2.974 1.00 0.00 C ATOM 572 O TYR A 89 -7.181 6.087 4.076 1.00 0.00 O ATOM 573 CB TYR A 89 -8.610 7.145 2.034 1.00 0.00 C ATOM 574 CG TYR A 89 -8.821 8.261 1.036 1.00 0.00 C ATOM 575 CD1 TYR A 89 -7.864 9.254 0.864 1.00 0.00 C ATOM 576 CD2 TYR A 89 -9.976 8.324 0.267 1.00 0.00 C ATOM 577 CE1 TYR A 89 -8.052 10.277 -0.045 1.00 0.00 C ATOM 578 CE2 TYR A 89 -10.172 9.343 -0.646 1.00 0.00 C ATOM 579 CZ TYR A 89 -9.207 10.317 -0.798 1.00 0.00 C ATOM 580 OH TYR A 89 -9.399 11.333 -1.706 1.00 0.00 O ATOM 0 H TYR A 89 -7.413 5.129 -0.090 1.00 0.00 H new ATOM 0 HA TYR A 89 -6.676 6.809 1.158 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -9.518 6.545 2.093 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -8.449 7.578 3.021 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.958 9.225 1.451 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -10.734 7.564 0.385 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -7.299 11.041 -0.165 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -11.075 9.376 -1.237 1.00 0.00 H new ATOM 0 HH TYR A 89 -10.262 11.213 -2.154 1.00 0.00 H new ATOM 590 N GLN A 90 -5.854 4.775 2.818 1.00 0.00 N ATOM 591 CA GLN A 90 -5.178 4.175 3.962 1.00 0.00 C ATOM 592 C GLN A 90 -3.675 4.427 3.899 1.00 0.00 C ATOM 593 O GLN A 90 -3.036 4.178 2.877 1.00 0.00 O ATOM 594 CB GLN A 90 -5.453 2.671 4.013 1.00 0.00 C ATOM 595 CG GLN A 90 -4.617 1.935 5.048 1.00 0.00 C ATOM 596 CD GLN A 90 -4.917 2.381 6.465 1.00 0.00 C ATOM 597 OE1 GLN A 90 -4.025 2.820 7.192 1.00 0.00 O ATOM 598 NE2 GLN A 90 -6.178 2.271 6.867 1.00 0.00 N ATOM 0 H GLN A 90 -5.533 4.435 1.912 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.569 4.639 4.867 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -6.509 2.510 4.230 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -5.260 2.241 3.030 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -4.800 0.864 4.962 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -3.560 2.096 4.837 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -6.885 1.902 6.232 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -6.439 2.556 7.811 1.00 0.00 H new ATOM 607 N ARG A 91 -3.117 4.923 4.999 1.00 0.00 N ATOM 608 CA ARG A 91 -1.689 5.211 5.068 1.00 0.00 C ATOM 609 C ARG A 91 -0.878 3.921 5.145 1.00 0.00 C ATOM 610 O ARG A 91 -1.206 3.014 5.909 1.00 0.00 O ATOM 611 CB ARG A 91 -1.383 6.092 6.280 1.00 0.00 C ATOM 612 CG ARG A 91 -1.560 7.577 6.014 1.00 0.00 C ATOM 613 CD ARG A 91 -1.851 8.342 7.296 1.00 0.00 C ATOM 614 NE ARG A 91 -3.238 8.182 7.725 1.00 0.00 N ATOM 615 CZ ARG A 91 -3.875 9.059 8.494 1.00 0.00 C ATOM 616 NH1 ARG A 91 -3.253 10.151 8.915 1.00 0.00 N ATOM 617 NH2 ARG A 91 -5.137 8.843 8.842 1.00 0.00 N ATOM 0 H ARG A 91 -3.632 5.134 5.854 1.00 0.00 H new ATOM 0 HA ARG A 91 -1.407 5.744 4.160 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -2.033 5.799 7.105 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -0.358 5.909 6.602 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -0.658 7.974 5.549 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -2.376 7.726 5.307 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -1.185 7.994 8.085 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -1.638 9.400 7.143 1.00 0.00 H new ATOM 0 HE ARG A 91 -3.745 7.352 7.418 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -2.283 10.320 8.649 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -3.744 10.822 9.505 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -5.619 8.004 8.519 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -5.626 9.516 9.432 1.00 0.00 H new ATOM 631 N ASN A 92 0.182 3.846 4.347 1.00 0.00 N ATOM 632 CA ASN A 92 1.040 2.666 4.324 1.00 0.00 C ATOM 633 C ASN A 92 2.512 3.064 4.357 1.00 0.00 C ATOM 634 O ASN A 92 2.863 4.207 4.064 1.00 0.00 O ATOM 635 CB ASN A 92 0.755 1.827 3.076 1.00 0.00 C ATOM 636 CG ASN A 92 -0.712 1.467 2.945 1.00 0.00 C ATOM 637 OD1 ASN A 92 -1.208 0.575 3.634 1.00 0.00 O ATOM 638 ND2 ASN A 92 -1.415 2.160 2.057 1.00 0.00 N ATOM 0 H ASN A 92 0.468 4.588 3.708 1.00 0.00 H new ATOM 0 HA ASN A 92 0.822 2.071 5.211 1.00 0.00 H new ATOM 0 HB2 ASN A 92 1.072 2.378 2.191 1.00 0.00 H new ATOM 0 HB3 ASN A 92 1.349 0.914 3.112 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -2.407 1.962 1.925 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -0.963 2.891 1.507 1.00 0.00 H new ATOM 645 N GLN A 93 3.369 2.112 4.715 1.00 0.00 N ATOM 646 CA GLN A 93 4.803 2.364 4.786 1.00 0.00 C ATOM 647 C GLN A 93 5.520 1.776 3.575 1.00 0.00 C ATOM 648 O GLN A 93 5.318 0.613 3.225 1.00 0.00 O ATOM 649 CB GLN A 93 5.382 1.772 6.073 1.00 0.00 C ATOM 650 CG GLN A 93 4.762 2.343 7.338 1.00 0.00 C ATOM 651 CD GLN A 93 5.674 2.219 8.542 1.00 0.00 C ATOM 652 OE1 GLN A 93 6.863 1.931 8.408 1.00 0.00 O ATOM 653 NE2 GLN A 93 5.120 2.437 9.730 1.00 0.00 N ATOM 0 H GLN A 93 3.095 1.161 4.960 1.00 0.00 H new ATOM 0 HA GLN A 93 4.957 3.443 4.788 1.00 0.00 H new ATOM 0 HB2 GLN A 93 5.238 0.692 6.063 1.00 0.00 H new ATOM 0 HB3 GLN A 93 6.457 1.950 6.093 1.00 0.00 H new ATOM 0 HG2 GLN A 93 4.520 3.394 7.177 1.00 0.00 H new ATOM 0 HG3 GLN A 93 3.824 1.827 7.543 1.00 0.00 H new ATOM 0 HE21 GLN A 93 4.130 2.673 9.795 1.00 0.00 H new ATOM 0 HE22 GLN A 93 5.685 2.368 10.577 1.00 0.00 H new ATOM 662 N PHE A 94 6.357 2.588 2.938 1.00 0.00 N ATOM 663 CA PHE A 94 7.102 2.149 1.764 1.00 0.00 C ATOM 664 C PHE A 94 7.867 0.862 2.056 1.00 0.00 C ATOM 665 O PHE A 94 8.212 0.560 3.199 1.00 0.00 O ATOM 666 CB PHE A 94 8.074 3.242 1.313 1.00 0.00 C ATOM 667 CG PHE A 94 7.393 4.447 0.730 1.00 0.00 C ATOM 668 CD1 PHE A 94 6.965 5.481 1.547 1.00 0.00 C ATOM 669 CD2 PHE A 94 7.178 4.545 -0.635 1.00 0.00 C ATOM 670 CE1 PHE A 94 6.338 6.591 1.014 1.00 0.00 C ATOM 671 CE2 PHE A 94 6.552 5.653 -1.175 1.00 0.00 C ATOM 672 CZ PHE A 94 6.131 6.677 -0.349 1.00 0.00 C ATOM 0 H PHE A 94 6.536 3.553 3.215 1.00 0.00 H new ATOM 0 HA PHE A 94 6.389 1.953 0.963 1.00 0.00 H new ATOM 0 HB2 PHE A 94 8.679 3.553 2.165 1.00 0.00 H new ATOM 0 HB3 PHE A 94 8.757 2.827 0.572 1.00 0.00 H new ATOM 0 HD1 PHE A 94 7.123 5.419 2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 94 7.503 3.746 -1.285 1.00 0.00 H new ATOM 0 HE1 PHE A 94 6.010 7.390 1.662 1.00 0.00 H new ATOM 0 HE2 PHE A 94 6.392 5.718 -2.241 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.641 7.543 -0.768 1.00 0.00 H new ATOM 682 N PRO A 95 8.140 0.083 0.998 1.00 0.00 N ATOM 683 CA PRO A 95 8.867 -1.185 1.114 1.00 0.00 C ATOM 684 C PRO A 95 10.336 -0.980 1.466 1.00 0.00 C ATOM 685 O PRO A 95 10.855 0.136 1.444 1.00 0.00 O ATOM 686 CB PRO A 95 8.732 -1.800 -0.280 1.00 0.00 C ATOM 687 CG PRO A 95 8.528 -0.638 -1.190 1.00 0.00 C ATOM 688 CD PRO A 95 7.760 0.381 -0.393 1.00 0.00 C ATOM 0 HA PRO A 95 8.468 -1.812 1.912 1.00 0.00 H new ATOM 0 HB2 PRO A 95 9.624 -2.364 -0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 95 7.891 -2.492 -0.327 1.00 0.00 H new ATOM 0 HG2 PRO A 95 9.483 -0.233 -1.526 1.00 0.00 H new ATOM 0 HG3 PRO A 95 7.976 -0.933 -2.082 1.00 0.00 H new ATOM 0 HD2 PRO A 95 8.031 1.399 -0.674 1.00 0.00 H new ATOM 0 HD3 PRO A 95 6.685 0.284 -0.546 1.00 0.00 H new ATOM 696 N PRO A 96 11.025 -2.082 1.799 1.00 0.00 N ATOM 697 CA PRO A 96 12.445 -2.049 2.161 1.00 0.00 C ATOM 698 C PRO A 96 13.340 -1.731 0.968 1.00 0.00 C ATOM 699 O PRO A 96 14.336 -1.019 1.099 1.00 0.00 O ATOM 700 CB PRO A 96 12.715 -3.468 2.668 1.00 0.00 C ATOM 701 CG PRO A 96 11.690 -4.313 1.994 1.00 0.00 C ATOM 702 CD PRO A 96 10.470 -3.445 1.846 1.00 0.00 C ATOM 0 HA PRO A 96 12.661 -1.271 2.894 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.724 -3.793 2.416 1.00 0.00 H new ATOM 0 HB3 PRO A 96 12.624 -3.525 3.753 1.00 0.00 H new ATOM 0 HG2 PRO A 96 12.045 -4.656 1.022 1.00 0.00 H new ATOM 0 HG3 PRO A 96 11.467 -5.202 2.584 1.00 0.00 H new ATOM 0 HD2 PRO A 96 9.914 -3.684 0.939 1.00 0.00 H new ATOM 0 HD3 PRO A 96 9.783 -3.571 2.683 1.00 0.00 H new ATOM 710 N SER A 97 12.979 -2.262 -0.196 1.00 0.00 N ATOM 711 CA SER A 97 13.751 -2.037 -1.412 1.00 0.00 C ATOM 712 C SER A 97 12.868 -1.473 -2.520 1.00 0.00 C ATOM 713 O SER A 97 12.231 -2.220 -3.263 1.00 0.00 O ATOM 714 CB SER A 97 14.402 -3.342 -1.876 1.00 0.00 C ATOM 715 OG SER A 97 15.546 -3.646 -1.099 1.00 0.00 O ATOM 0 H SER A 97 12.156 -2.851 -0.322 1.00 0.00 H new ATOM 0 HA SER A 97 14.531 -1.309 -1.189 1.00 0.00 H new ATOM 0 HB2 SER A 97 13.682 -4.157 -1.803 1.00 0.00 H new ATOM 0 HB3 SER A 97 14.683 -3.258 -2.926 1.00 0.00 H new ATOM 0 HG SER A 97 15.942 -4.485 -1.414 1.00 0.00 H new ATOM 721 N TYR A 98 12.835 -0.149 -2.625 1.00 0.00 N ATOM 722 CA TYR A 98 12.028 0.517 -3.640 1.00 0.00 C ATOM 723 C TYR A 98 12.907 1.064 -4.762 1.00 0.00 C ATOM 724 O TYR A 98 12.708 2.184 -5.231 1.00 0.00 O ATOM 725 CB TYR A 98 11.218 1.653 -3.014 1.00 0.00 C ATOM 726 CG TYR A 98 12.068 2.795 -2.505 1.00 0.00 C ATOM 727 CD1 TYR A 98 12.811 2.667 -1.338 1.00 0.00 C ATOM 728 CD2 TYR A 98 12.127 4.002 -3.191 1.00 0.00 C ATOM 729 CE1 TYR A 98 13.589 3.709 -0.869 1.00 0.00 C ATOM 730 CE2 TYR A 98 12.903 5.048 -2.730 1.00 0.00 C ATOM 731 CZ TYR A 98 13.632 4.896 -1.569 1.00 0.00 C ATOM 732 OH TYR A 98 14.405 5.936 -1.106 1.00 0.00 O ATOM 0 H TYR A 98 13.358 0.484 -2.020 1.00 0.00 H new ATOM 0 HA TYR A 98 11.344 -0.218 -4.063 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.515 2.036 -3.753 1.00 0.00 H new ATOM 0 HB3 TYR A 98 10.628 1.255 -2.189 1.00 0.00 H new ATOM 0 HD1 TYR A 98 12.780 1.738 -0.788 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.557 4.125 -4.100 1.00 0.00 H new ATOM 0 HE1 TYR A 98 14.160 3.594 0.041 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.939 5.979 -3.276 1.00 0.00 H new ATOM 0 HH TYR A 98 14.325 6.699 -1.715 1.00 0.00 H new ATOM 742 N ALA A 99 13.878 0.263 -5.187 1.00 0.00 N ATOM 743 CA ALA A 99 14.786 0.663 -6.255 1.00 0.00 C ATOM 744 C ALA A 99 14.420 -0.016 -7.570 1.00 0.00 C ATOM 745 O ALA A 99 13.835 -1.098 -7.579 1.00 0.00 O ATOM 746 CB ALA A 99 16.223 0.341 -5.874 1.00 0.00 C ATOM 0 H ALA A 99 14.056 -0.667 -4.808 1.00 0.00 H new ATOM 0 HA ALA A 99 14.691 1.740 -6.394 1.00 0.00 H new ATOM 0 HB1 ALA A 99 16.890 0.645 -6.681 1.00 0.00 H new ATOM 0 HB2 ALA A 99 16.487 0.878 -4.963 1.00 0.00 H new ATOM 0 HB3 ALA A 99 16.323 -0.731 -5.705 1.00 0.00 H new ATOM 752 N GLY A 100 14.768 0.627 -8.680 1.00 0.00 N ATOM 753 CA GLY A 100 14.467 0.070 -9.986 1.00 0.00 C ATOM 754 C GLY A 100 13.045 0.357 -10.425 1.00 0.00 C ATOM 755 O GLY A 100 12.801 0.690 -11.585 1.00 0.00 O ATOM 0 H GLY A 100 15.253 1.524 -8.698 1.00 0.00 H new ATOM 0 HA2 GLY A 100 15.160 0.479 -10.721 1.00 0.00 H new ATOM 0 HA3 GLY A 100 14.626 -1.008 -9.963 1.00 0.00 H new ATOM 759 N ILE A 101 12.103 0.227 -9.497 1.00 0.00 N ATOM 760 CA ILE A 101 10.698 0.475 -9.795 1.00 0.00 C ATOM 761 C ILE A 101 10.520 1.779 -10.565 1.00 0.00 C ATOM 762 O ILE A 101 11.021 2.827 -10.155 1.00 0.00 O ATOM 763 CB ILE A 101 9.851 0.532 -8.509 1.00 0.00 C ATOM 764 CG1 ILE A 101 9.972 -0.782 -7.735 1.00 0.00 C ATOM 765 CG2 ILE A 101 8.396 0.823 -8.846 1.00 0.00 C ATOM 766 CD1 ILE A 101 9.638 -0.650 -6.265 1.00 0.00 C ATOM 0 H ILE A 101 12.287 -0.049 -8.532 1.00 0.00 H new ATOM 0 HA ILE A 101 10.355 -0.357 -10.410 1.00 0.00 H new ATOM 0 HB ILE A 101 10.226 1.339 -7.879 1.00 0.00 H new ATOM 0 HG12 ILE A 101 9.310 -1.522 -8.185 1.00 0.00 H new ATOM 0 HG13 ILE A 101 10.989 -1.161 -7.836 1.00 0.00 H new ATOM 0 HG21 ILE A 101 7.810 0.860 -7.928 1.00 0.00 H new ATOM 0 HG22 ILE A 101 8.326 1.782 -9.360 1.00 0.00 H new ATOM 0 HG23 ILE A 101 8.008 0.036 -9.492 1.00 0.00 H new ATOM 0 HD11 ILE A 101 9.745 -1.620 -5.779 1.00 0.00 H new ATOM 0 HD12 ILE A 101 10.317 0.065 -5.801 1.00 0.00 H new ATOM 0 HD13 ILE A 101 8.611 -0.300 -6.155 1.00 0.00 H new ATOM 778 N SER A 102 9.804 1.707 -11.682 1.00 0.00 N ATOM 779 CA SER A 102 9.561 2.882 -12.511 1.00 0.00 C ATOM 780 C SER A 102 8.856 3.974 -11.713 1.00 0.00 C ATOM 781 O SER A 102 9.312 5.116 -11.667 1.00 0.00 O ATOM 782 CB SER A 102 8.722 2.505 -13.734 1.00 0.00 C ATOM 783 OG SER A 102 7.539 1.826 -13.350 1.00 0.00 O ATOM 0 H SER A 102 9.382 0.848 -12.034 1.00 0.00 H new ATOM 0 HA SER A 102 10.525 3.266 -12.845 1.00 0.00 H new ATOM 0 HB2 SER A 102 8.464 3.404 -14.293 1.00 0.00 H new ATOM 0 HB3 SER A 102 9.308 1.872 -14.400 1.00 0.00 H new ATOM 0 HG SER A 102 7.019 1.597 -14.149 1.00 0.00 H new ATOM 789 N GLU A 103 7.741 3.614 -11.086 1.00 0.00 N ATOM 790 CA GLU A 103 6.971 4.563 -10.290 1.00 0.00 C ATOM 791 C GLU A 103 7.865 5.276 -9.280 1.00 0.00 C ATOM 792 O GLU A 103 7.905 6.506 -9.228 1.00 0.00 O ATOM 793 CB GLU A 103 5.831 3.847 -9.563 1.00 0.00 C ATOM 794 CG GLU A 103 4.553 3.752 -10.380 1.00 0.00 C ATOM 795 CD GLU A 103 3.995 5.112 -10.752 1.00 0.00 C ATOM 796 OE1 GLU A 103 4.331 6.099 -10.065 1.00 0.00 O ATOM 797 OE2 GLU A 103 3.222 5.188 -11.730 1.00 0.00 O ATOM 0 H GLU A 103 7.350 2.672 -11.114 1.00 0.00 H new ATOM 0 HA GLU A 103 6.550 5.307 -10.966 1.00 0.00 H new ATOM 0 HB2 GLU A 103 6.157 2.842 -9.295 1.00 0.00 H new ATOM 0 HB3 GLU A 103 5.619 4.372 -8.632 1.00 0.00 H new ATOM 0 HG2 GLU A 103 4.749 3.183 -11.289 1.00 0.00 H new ATOM 0 HG3 GLU A 103 3.804 3.199 -9.813 1.00 0.00 H new ATOM 804 N LEU A 104 8.581 4.496 -8.478 1.00 0.00 N ATOM 805 CA LEU A 104 9.475 5.051 -7.468 1.00 0.00 C ATOM 806 C LEU A 104 10.773 5.542 -8.100 1.00 0.00 C ATOM 807 O LEU A 104 11.691 4.760 -8.342 1.00 0.00 O ATOM 808 CB LEU A 104 9.780 4.002 -6.397 1.00 0.00 C ATOM 809 CG LEU A 104 8.728 3.837 -5.299 1.00 0.00 C ATOM 810 CD1 LEU A 104 8.598 5.116 -4.487 1.00 0.00 C ATOM 811 CD2 LEU A 104 7.386 3.447 -5.902 1.00 0.00 C ATOM 0 H LEU A 104 8.560 3.477 -8.508 1.00 0.00 H new ATOM 0 HA LEU A 104 8.975 5.901 -7.003 1.00 0.00 H new ATOM 0 HB2 LEU A 104 9.917 3.039 -6.889 1.00 0.00 H new ATOM 0 HB3 LEU A 104 10.730 4.257 -5.927 1.00 0.00 H new ATOM 0 HG LEU A 104 9.050 3.039 -4.631 1.00 0.00 H new ATOM 0 HD11 LEU A 104 7.845 4.979 -3.711 1.00 0.00 H new ATOM 0 HD12 LEU A 104 9.556 5.353 -4.025 1.00 0.00 H new ATOM 0 HD13 LEU A 104 8.299 5.934 -5.142 1.00 0.00 H new ATOM 0 HD21 LEU A 104 6.649 3.334 -5.107 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.058 4.224 -6.593 1.00 0.00 H new ATOM 0 HD23 LEU A 104 7.489 2.504 -6.439 1.00 0.00 H new ATOM 823 N ASN A 105 10.842 6.843 -8.363 1.00 0.00 N ATOM 824 CA ASN A 105 12.029 7.439 -8.965 1.00 0.00 C ATOM 825 C ASN A 105 13.003 7.916 -7.892 1.00 0.00 C ATOM 826 O ASN A 105 12.600 8.525 -6.901 1.00 0.00 O ATOM 827 CB ASN A 105 11.635 8.609 -9.869 1.00 0.00 C ATOM 828 CG ASN A 105 10.866 8.159 -11.096 1.00 0.00 C ATOM 829 OD1 ASN A 105 9.930 7.365 -10.999 1.00 0.00 O ATOM 830 ND2 ASN A 105 11.258 8.666 -12.259 1.00 0.00 N ATOM 0 H ASN A 105 10.090 7.504 -8.169 1.00 0.00 H new ATOM 0 HA ASN A 105 12.524 6.675 -9.565 1.00 0.00 H new ATOM 0 HB2 ASN A 105 11.028 9.314 -9.302 1.00 0.00 H new ATOM 0 HB3 ASN A 105 12.533 9.141 -10.182 1.00 0.00 H new ATOM 0 HD21 ASN A 105 10.778 8.400 -13.119 1.00 0.00 H new ATOM 0 HD22 ASN A 105 12.039 9.321 -12.292 1.00 0.00 H new ATOM 837 N GLN A 106 14.285 7.635 -8.098 1.00 0.00 N ATOM 838 CA GLN A 106 15.316 8.036 -7.148 1.00 0.00 C ATOM 839 C GLN A 106 16.358 8.925 -7.818 1.00 0.00 C ATOM 840 O GLN A 106 16.631 8.811 -9.013 1.00 0.00 O ATOM 841 CB GLN A 106 15.992 6.802 -6.547 1.00 0.00 C ATOM 842 CG GLN A 106 16.772 5.981 -7.561 1.00 0.00 C ATOM 843 CD GLN A 106 17.080 4.581 -7.066 1.00 0.00 C ATOM 844 OE1 GLN A 106 18.242 4.189 -6.960 1.00 0.00 O ATOM 845 NE2 GLN A 106 16.036 3.819 -6.759 1.00 0.00 N ATOM 0 H GLN A 106 14.635 7.132 -8.913 1.00 0.00 H new ATOM 0 HA GLN A 106 14.838 8.605 -6.351 1.00 0.00 H new ATOM 0 HB2 GLN A 106 16.667 7.119 -5.752 1.00 0.00 H new ATOM 0 HB3 GLN A 106 15.233 6.170 -6.087 1.00 0.00 H new ATOM 0 HG2 GLN A 106 16.201 5.917 -8.487 1.00 0.00 H new ATOM 0 HG3 GLN A 106 17.705 6.493 -7.796 1.00 0.00 H new ATOM 0 HE21 GLN A 106 15.090 4.185 -6.862 1.00 0.00 H new ATOM 0 HE22 GLN A 106 16.181 2.868 -6.420 1.00 0.00 H new ATOM 854 N PRO A 107 16.955 9.834 -7.032 1.00 0.00 N ATOM 855 CA PRO A 107 17.977 10.761 -7.528 1.00 0.00 C ATOM 856 C PRO A 107 19.284 10.054 -7.870 1.00 0.00 C ATOM 857 O PRO A 107 19.942 9.489 -6.997 1.00 0.00 O ATOM 858 CB PRO A 107 18.180 11.724 -6.356 1.00 0.00 C ATOM 859 CG PRO A 107 17.782 10.944 -5.151 1.00 0.00 C ATOM 860 CD PRO A 107 16.679 10.025 -5.598 1.00 0.00 C ATOM 0 HA PRO A 107 17.670 11.251 -8.452 1.00 0.00 H new ATOM 0 HB2 PRO A 107 19.217 12.053 -6.290 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.568 12.619 -6.468 1.00 0.00 H new ATOM 0 HG2 PRO A 107 18.626 10.378 -4.756 1.00 0.00 H new ATOM 0 HG3 PRO A 107 17.441 11.604 -4.354 1.00 0.00 H new ATOM 0 HD2 PRO A 107 16.699 9.080 -5.056 1.00 0.00 H new ATOM 0 HD3 PRO A 107 15.696 10.467 -5.433 1.00 0.00 H new ATOM 868 N ALA A 108 19.654 10.089 -9.146 1.00 0.00 N ATOM 869 CA ALA A 108 20.884 9.454 -9.602 1.00 0.00 C ATOM 870 C ALA A 108 22.098 10.024 -8.876 1.00 0.00 C ATOM 871 O ALA A 108 22.386 11.217 -8.969 1.00 0.00 O ATOM 872 CB ALA A 108 21.039 9.623 -11.106 1.00 0.00 C ATOM 0 H ALA A 108 19.119 10.550 -9.882 1.00 0.00 H new ATOM 0 HA ALA A 108 20.822 8.391 -9.371 1.00 0.00 H new ATOM 0 HB1 ALA A 108 21.962 9.144 -11.433 1.00 0.00 H new ATOM 0 HB2 ALA A 108 20.192 9.162 -11.613 1.00 0.00 H new ATOM 0 HB3 ALA A 108 21.075 10.684 -11.351 1.00 0.00 H new TER 878 ALA A 108 HETATM 879 ZN ZN A 200 -5.630 1.387 -1.183 1.00 0.00 ZN