USER MOD reduce.3.24.130724 H: found=0, std=0, add=549, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 547 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 Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.0473 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 30:sc= 0.109 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 164:sc= 0.162 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 CYS SG : rot 170:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.141 X(o=-0.14,f=-0.59) USER MOD Single : A 23 ASN : amide:sc= -0.0217 X(o=-0.022,f=0) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0293 USER MOD Single : A 43 GLN : amide:sc=-0.00268 X(o=-0.0027,f=0) USER MOD Single : A 49 HIS : no HE2:sc= -0.967 K(o=-0.97,f=-2.7) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 57 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0402) USER MOD Single : A 63 SER OG : rot -15:sc= 0.422 USER MOD Single : A 66 HIS : no HE2:sc= -5.19! C(o=-5.2!,f=-4.8!) USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 SER OG : rot 180:sc= -0.167 USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.173 -15.354 -13.692 1.00 0.00 N ATOM 2 CA GLY A 1 12.972 -14.851 -13.053 1.00 0.00 C ATOM 3 C GLY A 1 12.955 -15.114 -11.560 1.00 0.00 C ATOM 4 O GLY A 1 12.871 -16.263 -11.126 1.00 0.00 O ATOM 0 H1 GLY A 1 14.136 -15.149 -14.711 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.007 -14.892 -13.276 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.239 -16.382 -13.548 1.00 0.00 H new ATOM 0 HA2 GLY A 1 12.892 -13.779 -13.231 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.099 -15.316 -13.511 1.00 0.00 H new ATOM 8 N SER A 2 13.036 -14.047 -10.772 1.00 0.00 N ATOM 9 CA SER A 2 13.035 -14.169 -9.319 1.00 0.00 C ATOM 10 C SER A 2 11.821 -14.960 -8.840 1.00 0.00 C ATOM 11 O SER A 2 10.712 -14.781 -9.344 1.00 0.00 O ATOM 12 CB SER A 2 13.043 -12.783 -8.670 1.00 0.00 C ATOM 13 OG SER A 2 11.953 -12.000 -9.126 1.00 0.00 O ATOM 0 H SER A 2 13.103 -13.089 -11.115 1.00 0.00 H new ATOM 0 HA SER A 2 13.936 -14.707 -9.024 1.00 0.00 H new ATOM 0 HB2 SER A 2 12.993 -12.885 -7.586 1.00 0.00 H new ATOM 0 HB3 SER A 2 13.980 -12.276 -8.899 1.00 0.00 H new ATOM 0 HG SER A 2 11.980 -11.120 -8.695 1.00 0.00 H new ATOM 19 N SER A 3 12.041 -15.835 -7.864 1.00 0.00 N ATOM 20 CA SER A 3 10.967 -16.658 -7.320 1.00 0.00 C ATOM 21 C SER A 3 10.292 -15.960 -6.143 1.00 0.00 C ATOM 22 O SER A 3 9.067 -15.865 -6.083 1.00 0.00 O ATOM 23 CB SER A 3 11.511 -18.017 -6.878 1.00 0.00 C ATOM 24 OG SER A 3 12.538 -17.865 -5.912 1.00 0.00 O ATOM 0 H SER A 3 12.952 -15.992 -7.434 1.00 0.00 H new ATOM 0 HA SER A 3 10.226 -16.810 -8.104 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.702 -18.618 -6.462 1.00 0.00 H new ATOM 0 HB3 SER A 3 11.897 -18.556 -7.743 1.00 0.00 H new ATOM 0 HG SER A 3 12.868 -18.748 -5.644 1.00 0.00 H new ATOM 30 N GLY A 4 11.101 -15.472 -5.209 1.00 0.00 N ATOM 31 CA GLY A 4 10.566 -14.789 -4.046 1.00 0.00 C ATOM 32 C GLY A 4 11.568 -14.700 -2.912 1.00 0.00 C ATOM 33 O GLY A 4 12.657 -15.270 -2.991 1.00 0.00 O ATOM 0 H GLY A 4 12.119 -15.537 -5.237 1.00 0.00 H new ATOM 0 HA2 GLY A 4 10.254 -13.784 -4.331 1.00 0.00 H new ATOM 0 HA3 GLY A 4 9.675 -15.313 -3.699 1.00 0.00 H new ATOM 37 N SER A 5 11.203 -13.981 -1.856 1.00 0.00 N ATOM 38 CA SER A 5 12.081 -13.816 -0.703 1.00 0.00 C ATOM 39 C SER A 5 11.370 -14.221 0.584 1.00 0.00 C ATOM 40 O SER A 5 10.173 -14.510 0.581 1.00 0.00 O ATOM 41 CB SER A 5 12.557 -12.365 -0.602 1.00 0.00 C ATOM 42 OG SER A 5 13.704 -12.147 -1.404 1.00 0.00 O ATOM 0 H SER A 5 10.305 -13.503 -1.775 1.00 0.00 H new ATOM 0 HA SER A 5 12.945 -14.466 -0.839 1.00 0.00 H new ATOM 0 HB2 SER A 5 11.757 -11.694 -0.916 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.785 -12.125 0.437 1.00 0.00 H new ATOM 0 HG SER A 5 13.987 -11.212 -1.323 1.00 0.00 H new ATOM 48 N SER A 6 12.116 -14.241 1.684 1.00 0.00 N ATOM 49 CA SER A 6 11.560 -14.615 2.979 1.00 0.00 C ATOM 50 C SER A 6 12.312 -13.925 4.112 1.00 0.00 C ATOM 51 O SER A 6 13.540 -13.982 4.184 1.00 0.00 O ATOM 52 CB SER A 6 11.616 -16.132 3.164 1.00 0.00 C ATOM 53 OG SER A 6 12.928 -16.624 2.951 1.00 0.00 O ATOM 0 H SER A 6 13.108 -14.002 1.704 1.00 0.00 H new ATOM 0 HA SER A 6 10.519 -14.292 3.007 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.286 -16.391 4.170 1.00 0.00 H new ATOM 0 HB3 SER A 6 10.927 -16.612 2.469 1.00 0.00 H new ATOM 0 HG SER A 6 13.580 -15.938 3.204 1.00 0.00 H new ATOM 59 N GLY A 7 11.566 -13.272 5.000 1.00 0.00 N ATOM 60 CA GLY A 7 12.178 -12.581 6.119 1.00 0.00 C ATOM 61 C GLY A 7 11.260 -11.541 6.731 1.00 0.00 C ATOM 62 O GLY A 7 10.905 -11.631 7.904 1.00 0.00 O ATOM 0 H GLY A 7 10.549 -13.210 4.963 1.00 0.00 H new ATOM 0 HA2 GLY A 7 12.458 -13.308 6.882 1.00 0.00 H new ATOM 0 HA3 GLY A 7 13.097 -12.099 5.786 1.00 0.00 H new ATOM 66 N ASN A 8 10.875 -10.551 5.933 1.00 0.00 N ATOM 67 CA ASN A 8 9.995 -9.488 6.403 1.00 0.00 C ATOM 68 C ASN A 8 8.610 -9.610 5.776 1.00 0.00 C ATOM 69 O ASN A 8 8.442 -9.415 4.572 1.00 0.00 O ATOM 70 CB ASN A 8 10.595 -8.118 6.077 1.00 0.00 C ATOM 71 CG ASN A 8 9.699 -6.976 6.517 1.00 0.00 C ATOM 72 OD1 ASN A 8 9.135 -7.000 7.611 1.00 0.00 O ATOM 73 ND2 ASN A 8 9.563 -5.968 5.663 1.00 0.00 N ATOM 0 H ASN A 8 11.159 -10.463 4.957 1.00 0.00 H new ATOM 0 HA ASN A 8 9.895 -9.586 7.484 1.00 0.00 H new ATOM 0 HB2 ASN A 8 11.565 -8.024 6.565 1.00 0.00 H new ATOM 0 HB3 ASN A 8 10.769 -8.047 5.003 1.00 0.00 H new ATOM 0 HD21 ASN A 8 8.972 -5.172 5.903 1.00 0.00 H new ATOM 0 HD22 ASN A 8 10.049 -5.990 4.767 1.00 0.00 H new ATOM 80 N LYS A 9 7.619 -9.937 6.599 1.00 0.00 N ATOM 81 CA LYS A 9 6.248 -10.085 6.127 1.00 0.00 C ATOM 82 C LYS A 9 5.740 -8.785 5.515 1.00 0.00 C ATOM 83 O LYS A 9 5.626 -7.767 6.199 1.00 0.00 O ATOM 84 CB LYS A 9 5.334 -10.511 7.279 1.00 0.00 C ATOM 85 CG LYS A 9 3.990 -11.049 6.820 1.00 0.00 C ATOM 86 CD LYS A 9 4.123 -12.431 6.202 1.00 0.00 C ATOM 87 CE LYS A 9 4.270 -13.506 7.267 1.00 0.00 C ATOM 88 NZ LYS A 9 4.029 -14.869 6.717 1.00 0.00 N ATOM 0 H LYS A 9 7.741 -10.105 7.598 1.00 0.00 H new ATOM 0 HA LYS A 9 6.236 -10.857 5.357 1.00 0.00 H new ATOM 0 HB2 LYS A 9 5.840 -11.275 7.870 1.00 0.00 H new ATOM 0 HB3 LYS A 9 5.169 -9.657 7.936 1.00 0.00 H new ATOM 0 HG2 LYS A 9 3.306 -11.093 7.668 1.00 0.00 H new ATOM 0 HG3 LYS A 9 3.553 -10.365 6.093 1.00 0.00 H new ATOM 0 HD2 LYS A 9 3.247 -12.642 5.589 1.00 0.00 H new ATOM 0 HD3 LYS A 9 4.988 -12.453 5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 9 5.272 -13.459 7.695 1.00 0.00 H new ATOM 0 HE3 LYS A 9 3.568 -13.312 8.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 4.139 -15.573 7.474 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 3.065 -14.922 6.332 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 4.715 -15.064 5.960 1.00 0.00 H new ATOM 102 N VAL A 10 5.434 -8.823 4.222 1.00 0.00 N ATOM 103 CA VAL A 10 4.936 -7.648 3.518 1.00 0.00 C ATOM 104 C VAL A 10 3.445 -7.774 3.226 1.00 0.00 C ATOM 105 O VAL A 10 2.932 -8.875 3.025 1.00 0.00 O ATOM 106 CB VAL A 10 5.690 -7.424 2.194 1.00 0.00 C ATOM 107 CG1 VAL A 10 7.190 -7.569 2.403 1.00 0.00 C ATOM 108 CG2 VAL A 10 5.196 -8.391 1.129 1.00 0.00 C ATOM 0 H VAL A 10 5.523 -9.656 3.640 1.00 0.00 H new ATOM 0 HA VAL A 10 5.105 -6.792 4.172 1.00 0.00 H new ATOM 0 HB VAL A 10 5.491 -6.409 1.850 1.00 0.00 H new ATOM 0 HG11 VAL A 10 7.706 -7.407 1.457 1.00 0.00 H new ATOM 0 HG12 VAL A 10 7.529 -6.833 3.132 1.00 0.00 H new ATOM 0 HG13 VAL A 10 7.411 -8.571 2.770 1.00 0.00 H new ATOM 0 HG21 VAL A 10 5.740 -8.218 0.200 1.00 0.00 H new ATOM 0 HG22 VAL A 10 5.363 -9.415 1.462 1.00 0.00 H new ATOM 0 HG23 VAL A 10 4.131 -8.233 0.960 1.00 0.00 H new ATOM 118 N ARG A 11 2.753 -6.639 3.203 1.00 0.00 N ATOM 119 CA ARG A 11 1.320 -6.622 2.935 1.00 0.00 C ATOM 120 C ARG A 11 1.022 -5.916 1.616 1.00 0.00 C ATOM 121 O ARG A 11 1.551 -4.838 1.343 1.00 0.00 O ATOM 122 CB ARG A 11 0.575 -5.929 4.077 1.00 0.00 C ATOM 123 CG ARG A 11 0.122 -6.879 5.174 1.00 0.00 C ATOM 124 CD ARG A 11 -1.133 -6.371 5.867 1.00 0.00 C ATOM 125 NE ARG A 11 -1.429 -7.125 7.083 1.00 0.00 N ATOM 126 CZ ARG A 11 -2.524 -6.943 7.811 1.00 0.00 C ATOM 127 NH1 ARG A 11 -3.422 -6.037 7.449 1.00 0.00 N ATOM 128 NH2 ARG A 11 -2.723 -7.668 8.905 1.00 0.00 N ATOM 0 H ARG A 11 3.162 -5.719 3.367 1.00 0.00 H new ATOM 0 HA ARG A 11 0.977 -7.654 2.860 1.00 0.00 H new ATOM 0 HB2 ARG A 11 1.222 -5.167 4.512 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -0.296 -5.414 3.672 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -0.070 -7.864 4.748 1.00 0.00 H new ATOM 0 HG3 ARG A 11 0.920 -6.998 5.906 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -1.009 -5.317 6.115 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -1.978 -6.440 5.183 1.00 0.00 H new ATOM 0 HE ARG A 11 -0.758 -7.829 7.389 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -3.272 -5.478 6.609 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -4.262 -5.899 8.010 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -2.034 -8.366 9.187 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -3.565 -7.527 9.464 1.00 0.00 H new ATOM 142 N ARG A 12 0.171 -6.531 0.801 1.00 0.00 N ATOM 143 CA ARG A 12 -0.196 -5.962 -0.490 1.00 0.00 C ATOM 144 C ARG A 12 -1.634 -5.451 -0.469 1.00 0.00 C ATOM 145 O ARG A 12 -2.568 -6.202 -0.189 1.00 0.00 O ATOM 146 CB ARG A 12 -0.030 -7.005 -1.596 1.00 0.00 C ATOM 147 CG ARG A 12 0.297 -6.406 -2.954 1.00 0.00 C ATOM 148 CD ARG A 12 0.536 -7.487 -3.998 1.00 0.00 C ATOM 149 NE ARG A 12 -0.701 -7.891 -4.660 1.00 0.00 N ATOM 150 CZ ARG A 12 -1.527 -8.811 -4.174 1.00 0.00 C ATOM 151 NH1 ARG A 12 -1.249 -9.419 -3.029 1.00 0.00 N ATOM 152 NH2 ARG A 12 -2.634 -9.126 -4.836 1.00 0.00 N ATOM 0 H ARG A 12 -0.277 -7.423 1.012 1.00 0.00 H new ATOM 0 HA ARG A 12 0.468 -5.121 -0.691 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.762 -7.698 -1.314 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -0.949 -7.586 -1.676 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -0.522 -5.763 -3.276 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.183 -5.776 -2.871 1.00 0.00 H new ATOM 0 HD2 ARG A 12 1.243 -7.122 -4.743 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.993 -8.355 -3.523 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.944 -7.443 -5.543 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.399 -9.181 -2.518 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.885 -10.125 -2.659 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.850 -8.662 -5.718 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.268 -9.832 -4.463 1.00 0.00 H new ATOM 166 N VAL A 13 -1.805 -4.167 -0.768 1.00 0.00 N ATOM 167 CA VAL A 13 -3.128 -3.555 -0.785 1.00 0.00 C ATOM 168 C VAL A 13 -3.374 -2.814 -2.095 1.00 0.00 C ATOM 169 O VAL A 13 -2.470 -2.662 -2.915 1.00 0.00 O ATOM 170 CB VAL A 13 -3.307 -2.574 0.389 1.00 0.00 C ATOM 171 CG1 VAL A 13 -3.178 -3.302 1.718 1.00 0.00 C ATOM 172 CG2 VAL A 13 -2.299 -1.439 0.293 1.00 0.00 C ATOM 0 H VAL A 13 -1.043 -3.530 -1.002 1.00 0.00 H new ATOM 0 HA VAL A 13 -3.853 -4.363 -0.687 1.00 0.00 H new ATOM 0 HB VAL A 13 -4.308 -2.146 0.333 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -3.307 -2.593 2.535 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -3.943 -4.076 1.785 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -2.191 -3.760 1.788 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.440 -0.755 1.130 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.288 -1.846 0.323 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -2.445 -0.901 -0.643 1.00 0.00 H new ATOM 182 N LYS A 14 -4.607 -2.354 -2.285 1.00 0.00 N ATOM 183 CA LYS A 14 -4.974 -1.627 -3.494 1.00 0.00 C ATOM 184 C LYS A 14 -5.809 -0.396 -3.155 1.00 0.00 C ATOM 185 O LYS A 14 -6.642 -0.428 -2.250 1.00 0.00 O ATOM 186 CB LYS A 14 -5.752 -2.538 -4.445 1.00 0.00 C ATOM 187 CG LYS A 14 -6.355 -1.806 -5.632 1.00 0.00 C ATOM 188 CD LYS A 14 -7.570 -2.536 -6.179 1.00 0.00 C ATOM 189 CE LYS A 14 -7.181 -3.537 -7.256 1.00 0.00 C ATOM 190 NZ LYS A 14 -8.238 -4.563 -7.468 1.00 0.00 N ATOM 0 H LYS A 14 -5.368 -2.472 -1.617 1.00 0.00 H new ATOM 0 HA LYS A 14 -4.057 -1.299 -3.984 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -5.087 -3.320 -4.811 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -6.550 -3.032 -3.890 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -6.640 -0.798 -5.332 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -5.606 -1.705 -6.417 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -8.081 -3.054 -5.367 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -8.275 -1.814 -6.590 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -6.994 -3.010 -8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -6.249 -4.028 -6.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -7.934 -5.226 -8.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -8.399 -5.084 -6.582 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -9.121 -4.097 -7.761 1.00 0.00 H new ATOM 204 N THR A 15 -5.581 0.689 -3.890 1.00 0.00 N ATOM 205 CA THR A 15 -6.312 1.929 -3.669 1.00 0.00 C ATOM 206 C THR A 15 -7.716 1.854 -4.257 1.00 0.00 C ATOM 207 O THR A 15 -7.909 2.057 -5.456 1.00 0.00 O ATOM 208 CB THR A 15 -5.575 3.134 -4.284 1.00 0.00 C ATOM 209 OG1 THR A 15 -5.516 2.997 -5.709 1.00 0.00 O ATOM 210 CG2 THR A 15 -4.166 3.250 -3.723 1.00 0.00 C ATOM 0 H THR A 15 -4.895 0.733 -4.644 1.00 0.00 H new ATOM 0 HA THR A 15 -6.380 2.066 -2.590 1.00 0.00 H new ATOM 0 HB THR A 15 -6.127 4.038 -4.028 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.285 3.860 -6.111 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.665 4.108 -4.172 1.00 0.00 H new ATOM 0 HG22 THR A 15 -4.214 3.383 -2.642 1.00 0.00 H new ATOM 0 HG23 THR A 15 -3.607 2.343 -3.952 1.00 0.00 H new ATOM 218 N ILE A 16 -8.694 1.560 -3.407 1.00 0.00 N ATOM 219 CA ILE A 16 -10.081 1.458 -3.844 1.00 0.00 C ATOM 220 C ILE A 16 -10.701 2.839 -4.028 1.00 0.00 C ATOM 221 O ILE A 16 -11.805 2.969 -4.560 1.00 0.00 O ATOM 222 CB ILE A 16 -10.931 0.657 -2.840 1.00 0.00 C ATOM 223 CG1 ILE A 16 -10.672 1.148 -1.414 1.00 0.00 C ATOM 224 CG2 ILE A 16 -10.627 -0.829 -2.958 1.00 0.00 C ATOM 225 CD1 ILE A 16 -11.716 0.691 -0.419 1.00 0.00 C ATOM 0 H ILE A 16 -8.552 1.388 -2.412 1.00 0.00 H new ATOM 0 HA ILE A 16 -10.073 0.934 -4.800 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.985 0.812 -3.072 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -9.693 0.795 -1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -10.634 2.237 -1.415 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -11.235 -1.383 -2.242 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -10.856 -1.168 -3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -9.572 -1.002 -2.748 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -11.469 1.076 0.570 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -12.694 1.066 -0.720 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -11.738 -0.398 -0.389 1.00 0.00 H new ATOM 237 N TYR A 17 -9.984 3.866 -3.589 1.00 0.00 N ATOM 238 CA TYR A 17 -10.464 5.239 -3.705 1.00 0.00 C ATOM 239 C TYR A 17 -9.362 6.160 -4.217 1.00 0.00 C ATOM 240 O TYR A 17 -8.175 5.894 -4.024 1.00 0.00 O ATOM 241 CB TYR A 17 -10.975 5.739 -2.353 1.00 0.00 C ATOM 242 CG TYR A 17 -12.153 4.955 -1.822 1.00 0.00 C ATOM 243 CD1 TYR A 17 -13.271 4.723 -2.614 1.00 0.00 C ATOM 244 CD2 TYR A 17 -12.149 4.445 -0.530 1.00 0.00 C ATOM 245 CE1 TYR A 17 -14.351 4.008 -2.133 1.00 0.00 C ATOM 246 CE2 TYR A 17 -13.223 3.727 -0.042 1.00 0.00 C ATOM 247 CZ TYR A 17 -14.322 3.511 -0.847 1.00 0.00 C ATOM 248 OH TYR A 17 -15.395 2.798 -0.364 1.00 0.00 O ATOM 0 H TYR A 17 -9.068 3.775 -3.149 1.00 0.00 H new ATOM 0 HA TYR A 17 -11.284 5.250 -4.423 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -10.163 5.693 -1.628 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -11.260 6.787 -2.447 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -13.296 5.108 -3.623 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -11.291 4.613 0.104 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -15.213 3.839 -2.761 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -13.203 3.337 0.965 1.00 0.00 H new ATOM 0 HH TYR A 17 -15.214 2.518 0.558 1.00 0.00 H new ATOM 258 N ASP A 18 -9.762 7.245 -4.871 1.00 0.00 N ATOM 259 CA ASP A 18 -8.809 8.208 -5.411 1.00 0.00 C ATOM 260 C ASP A 18 -8.269 9.114 -4.308 1.00 0.00 C ATOM 261 O ASP A 18 -9.001 9.508 -3.401 1.00 0.00 O ATOM 262 CB ASP A 18 -9.468 9.052 -6.503 1.00 0.00 C ATOM 263 CG ASP A 18 -10.324 10.168 -5.936 1.00 0.00 C ATOM 264 OD1 ASP A 18 -9.753 11.129 -5.380 1.00 0.00 O ATOM 265 OD2 ASP A 18 -11.563 10.079 -6.050 1.00 0.00 O ATOM 0 H ASP A 18 -10.740 7.480 -5.040 1.00 0.00 H new ATOM 0 HA ASP A 18 -7.976 7.654 -5.843 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -8.696 9.480 -7.143 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -10.084 8.410 -7.132 1.00 0.00 H new ATOM 270 N CYS A 19 -6.983 9.437 -4.394 1.00 0.00 N ATOM 271 CA CYS A 19 -6.343 10.295 -3.402 1.00 0.00 C ATOM 272 C CYS A 19 -5.331 11.227 -4.061 1.00 0.00 C ATOM 273 O CYS A 19 -4.713 10.875 -5.065 1.00 0.00 O ATOM 274 CB CYS A 19 -5.652 9.446 -2.334 1.00 0.00 C ATOM 275 SG CYS A 19 -5.316 10.330 -0.792 1.00 0.00 S ATOM 0 H CYS A 19 -6.364 9.118 -5.139 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.115 10.902 -2.930 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -6.275 8.579 -2.115 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -4.712 9.069 -2.737 1.00 0.00 H new ATOM 0 HG CYS A 19 -4.930 9.485 0.117 1.00 0.00 H new ATOM 281 N GLN A 20 -5.171 12.417 -3.490 1.00 0.00 N ATOM 282 CA GLN A 20 -4.236 13.400 -4.024 1.00 0.00 C ATOM 283 C GLN A 20 -3.402 14.019 -2.908 1.00 0.00 C ATOM 284 O GLN A 20 -3.676 15.132 -2.460 1.00 0.00 O ATOM 285 CB GLN A 20 -4.991 14.494 -4.780 1.00 0.00 C ATOM 286 CG GLN A 20 -4.095 15.611 -5.290 1.00 0.00 C ATOM 287 CD GLN A 20 -2.844 15.091 -5.970 1.00 0.00 C ATOM 288 OE1 GLN A 20 -1.793 14.956 -5.343 1.00 0.00 O ATOM 289 NE2 GLN A 20 -2.950 14.795 -7.260 1.00 0.00 N ATOM 0 H GLN A 20 -5.676 12.723 -2.659 1.00 0.00 H new ATOM 0 HA GLN A 20 -3.564 12.889 -4.714 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -5.514 14.045 -5.624 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -5.750 14.920 -4.124 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -4.655 16.229 -5.992 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -3.811 16.253 -4.456 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.840 14.922 -7.741 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.141 14.441 -7.770 1.00 0.00 H new ATOM 298 N ALA A 21 -2.382 13.292 -2.465 1.00 0.00 N ATOM 299 CA ALA A 21 -1.507 13.771 -1.402 1.00 0.00 C ATOM 300 C ALA A 21 -0.987 15.171 -1.709 1.00 0.00 C ATOM 301 O ALA A 21 -0.526 15.444 -2.817 1.00 0.00 O ATOM 302 CB ALA A 21 -0.346 12.808 -1.200 1.00 0.00 C ATOM 0 H ALA A 21 -2.141 12.369 -2.826 1.00 0.00 H new ATOM 0 HA ALA A 21 -2.088 13.821 -0.481 1.00 0.00 H new ATOM 0 HB1 ALA A 21 0.299 13.178 -0.403 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -0.731 11.825 -0.928 1.00 0.00 H new ATOM 0 HB3 ALA A 21 0.227 12.730 -2.124 1.00 0.00 H new ATOM 308 N ASP A 22 -1.066 16.056 -0.721 1.00 0.00 N ATOM 309 CA ASP A 22 -0.604 17.430 -0.885 1.00 0.00 C ATOM 310 C ASP A 22 0.869 17.555 -0.508 1.00 0.00 C ATOM 311 O ASP A 22 1.631 18.261 -1.168 1.00 0.00 O ATOM 312 CB ASP A 22 -1.445 18.380 -0.031 1.00 0.00 C ATOM 313 CG ASP A 22 -1.515 19.776 -0.615 1.00 0.00 C ATOM 314 OD1 ASP A 22 -0.546 20.543 -0.438 1.00 0.00 O ATOM 315 OD2 ASP A 22 -2.539 20.103 -1.252 1.00 0.00 O ATOM 0 H ASP A 22 -1.446 15.846 0.202 1.00 0.00 H new ATOM 0 HA ASP A 22 -0.717 17.703 -1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -2.454 17.979 0.066 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.024 18.430 0.973 1.00 0.00 H new ATOM 320 N ASN A 23 1.263 16.867 0.559 1.00 0.00 N ATOM 321 CA ASN A 23 2.644 16.903 1.025 1.00 0.00 C ATOM 322 C ASN A 23 3.476 15.817 0.348 1.00 0.00 C ATOM 323 O ASN A 23 2.935 14.920 -0.297 1.00 0.00 O ATOM 324 CB ASN A 23 2.696 16.729 2.544 1.00 0.00 C ATOM 325 CG ASN A 23 2.423 18.024 3.284 1.00 0.00 C ATOM 326 OD1 ASN A 23 3.309 18.580 3.935 1.00 0.00 O ATOM 327 ND2 ASN A 23 1.191 18.512 3.189 1.00 0.00 N ATOM 0 H ASN A 23 0.645 16.278 1.117 1.00 0.00 H new ATOM 0 HA ASN A 23 3.065 17.874 0.763 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.964 15.980 2.846 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.677 16.350 2.830 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.948 19.380 3.666 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.488 18.019 2.639 1.00 0.00 H new ATOM 334 N ASP A 24 4.792 15.906 0.502 1.00 0.00 N ATOM 335 CA ASP A 24 5.698 14.931 -0.093 1.00 0.00 C ATOM 336 C ASP A 24 5.562 13.575 0.592 1.00 0.00 C ATOM 337 O ASP A 24 5.264 12.570 -0.054 1.00 0.00 O ATOM 338 CB ASP A 24 7.144 15.422 0.004 1.00 0.00 C ATOM 339 CG ASP A 24 7.369 16.711 -0.762 1.00 0.00 C ATOM 340 OD1 ASP A 24 7.551 16.645 -1.997 1.00 0.00 O ATOM 341 OD2 ASP A 24 7.364 17.786 -0.128 1.00 0.00 O ATOM 0 H ASP A 24 5.255 16.643 1.034 1.00 0.00 H new ATOM 0 HA ASP A 24 5.431 14.816 -1.143 1.00 0.00 H new ATOM 0 HB2 ASP A 24 7.403 15.575 1.052 1.00 0.00 H new ATOM 0 HB3 ASP A 24 7.813 14.652 -0.381 1.00 0.00 H new ATOM 346 N ASP A 25 5.783 13.554 1.902 1.00 0.00 N ATOM 347 CA ASP A 25 5.685 12.321 2.675 1.00 0.00 C ATOM 348 C ASP A 25 4.498 11.483 2.211 1.00 0.00 C ATOM 349 O ASP A 25 4.632 10.286 1.958 1.00 0.00 O ATOM 350 CB ASP A 25 5.552 12.638 4.165 1.00 0.00 C ATOM 351 CG ASP A 25 4.431 13.618 4.450 1.00 0.00 C ATOM 352 OD1 ASP A 25 3.283 13.167 4.647 1.00 0.00 O ATOM 353 OD2 ASP A 25 4.702 14.837 4.479 1.00 0.00 O ATOM 0 H ASP A 25 6.031 14.377 2.451 1.00 0.00 H new ATOM 0 HA ASP A 25 6.597 11.746 2.515 1.00 0.00 H new ATOM 0 HB2 ASP A 25 5.372 11.715 4.715 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.492 13.049 4.531 1.00 0.00 H new ATOM 358 N GLU A 26 3.336 12.120 2.105 1.00 0.00 N ATOM 359 CA GLU A 26 2.124 11.431 1.675 1.00 0.00 C ATOM 360 C GLU A 26 2.271 10.914 0.246 1.00 0.00 C ATOM 361 O GLU A 26 2.621 11.665 -0.665 1.00 0.00 O ATOM 362 CB GLU A 26 0.917 12.367 1.769 1.00 0.00 C ATOM 363 CG GLU A 26 0.339 12.474 3.170 1.00 0.00 C ATOM 364 CD GLU A 26 -0.725 11.430 3.443 1.00 0.00 C ATOM 365 OE1 GLU A 26 -0.509 10.253 3.085 1.00 0.00 O ATOM 366 OE2 GLU A 26 -1.776 11.789 4.016 1.00 0.00 O ATOM 0 H GLU A 26 3.208 13.111 2.311 1.00 0.00 H new ATOM 0 HA GLU A 26 1.966 10.580 2.337 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.210 13.360 1.429 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.140 12.014 1.090 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.142 12.368 3.899 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -0.088 13.467 3.308 1.00 0.00 H new ATOM 373 N LEU A 27 2.001 9.627 0.059 1.00 0.00 N ATOM 374 CA LEU A 27 2.104 9.008 -1.258 1.00 0.00 C ATOM 375 C LEU A 27 0.887 9.346 -2.114 1.00 0.00 C ATOM 376 O LEU A 27 -0.254 9.242 -1.661 1.00 0.00 O ATOM 377 CB LEU A 27 2.240 7.491 -1.121 1.00 0.00 C ATOM 378 CG LEU A 27 2.310 6.702 -2.430 1.00 0.00 C ATOM 379 CD1 LEU A 27 3.615 6.988 -3.156 1.00 0.00 C ATOM 380 CD2 LEU A 27 2.162 5.211 -2.162 1.00 0.00 C ATOM 0 H LEU A 27 1.709 8.992 0.802 1.00 0.00 H new ATOM 0 HA LEU A 27 2.993 9.403 -1.750 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.139 7.278 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.394 7.121 -0.542 1.00 0.00 H new ATOM 0 HG LEU A 27 1.486 7.020 -3.069 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.647 6.418 -4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 27 3.680 8.053 -3.381 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.454 6.699 -2.524 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.214 4.665 -3.104 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.965 4.878 -1.505 1.00 0.00 H new ATOM 0 HD23 LEU A 27 1.200 5.021 -1.685 1.00 0.00 H new ATOM 392 N THR A 28 1.137 9.749 -3.356 1.00 0.00 N ATOM 393 CA THR A 28 0.063 10.100 -4.276 1.00 0.00 C ATOM 394 C THR A 28 -0.338 8.907 -5.136 1.00 0.00 C ATOM 395 O THR A 28 0.487 8.348 -5.861 1.00 0.00 O ATOM 396 CB THR A 28 0.469 11.268 -5.196 1.00 0.00 C ATOM 397 OG1 THR A 28 1.269 12.207 -4.468 1.00 0.00 O ATOM 398 CG2 THR A 28 -0.759 11.968 -5.757 1.00 0.00 C ATOM 0 H THR A 28 2.074 9.840 -3.748 1.00 0.00 H new ATOM 0 HA THR A 28 -0.787 10.406 -3.666 1.00 0.00 H new ATOM 0 HB THR A 28 1.047 10.864 -6.027 1.00 0.00 H new ATOM 0 HG1 THR A 28 1.525 12.946 -5.059 1.00 0.00 H new ATOM 0 HG21 THR A 28 -0.447 12.788 -6.403 1.00 0.00 H new ATOM 0 HG22 THR A 28 -1.351 11.257 -6.333 1.00 0.00 H new ATOM 0 HG23 THR A 28 -1.360 12.361 -4.937 1.00 0.00 H new ATOM 406 N PHE A 29 -1.607 8.522 -5.054 1.00 0.00 N ATOM 407 CA PHE A 29 -2.116 7.394 -5.825 1.00 0.00 C ATOM 408 C PHE A 29 -3.510 7.693 -6.370 1.00 0.00 C ATOM 409 O PHE A 29 -4.039 8.788 -6.182 1.00 0.00 O ATOM 410 CB PHE A 29 -2.154 6.133 -4.959 1.00 0.00 C ATOM 411 CG PHE A 29 -2.829 6.336 -3.633 1.00 0.00 C ATOM 412 CD1 PHE A 29 -2.133 6.872 -2.561 1.00 0.00 C ATOM 413 CD2 PHE A 29 -4.159 5.991 -3.458 1.00 0.00 C ATOM 414 CE1 PHE A 29 -2.752 7.060 -1.339 1.00 0.00 C ATOM 415 CE2 PHE A 29 -4.783 6.177 -2.238 1.00 0.00 C ATOM 416 CZ PHE A 29 -4.078 6.713 -1.177 1.00 0.00 C ATOM 0 H PHE A 29 -2.302 8.975 -4.461 1.00 0.00 H new ATOM 0 HA PHE A 29 -1.444 7.228 -6.667 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -2.671 5.343 -5.504 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -1.134 5.788 -4.789 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.095 7.146 -2.682 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -4.715 5.572 -4.284 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.198 7.478 -0.512 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.820 5.904 -2.114 1.00 0.00 H new ATOM 0 HZ PHE A 29 -4.563 6.860 -0.224 1.00 0.00 H new ATOM 426 N ILE A 30 -4.096 6.711 -7.046 1.00 0.00 N ATOM 427 CA ILE A 30 -5.428 6.868 -7.617 1.00 0.00 C ATOM 428 C ILE A 30 -6.175 5.540 -7.643 1.00 0.00 C ATOM 429 O ILE A 30 -5.564 4.474 -7.709 1.00 0.00 O ATOM 430 CB ILE A 30 -5.362 7.435 -9.048 1.00 0.00 C ATOM 431 CG1 ILE A 30 -4.531 6.517 -9.946 1.00 0.00 C ATOM 432 CG2 ILE A 30 -4.781 8.840 -9.035 1.00 0.00 C ATOM 433 CD1 ILE A 30 -4.902 6.605 -11.410 1.00 0.00 C ATOM 0 H ILE A 30 -3.670 5.799 -7.212 1.00 0.00 H new ATOM 0 HA ILE A 30 -5.964 7.571 -6.980 1.00 0.00 H new ATOM 0 HB ILE A 30 -6.374 7.486 -9.450 1.00 0.00 H new ATOM 0 HG12 ILE A 30 -3.476 6.768 -9.831 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -4.652 5.487 -9.610 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -4.741 9.227 -10.053 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -5.410 9.488 -8.425 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -3.775 8.814 -8.617 1.00 0.00 H new ATOM 0 HD11 ILE A 30 -4.272 5.927 -11.986 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -5.948 6.325 -11.538 1.00 0.00 H new ATOM 0 HD13 ILE A 30 -4.754 7.626 -11.762 1.00 0.00 H new ATOM 445 N GLU A 31 -7.502 5.611 -7.589 1.00 0.00 N ATOM 446 CA GLU A 31 -8.334 4.413 -7.607 1.00 0.00 C ATOM 447 C GLU A 31 -7.854 3.435 -8.676 1.00 0.00 C ATOM 448 O GLU A 31 -7.734 3.789 -9.848 1.00 0.00 O ATOM 449 CB GLU A 31 -9.797 4.784 -7.859 1.00 0.00 C ATOM 450 CG GLU A 31 -10.736 3.591 -7.853 1.00 0.00 C ATOM 451 CD GLU A 31 -12.009 3.846 -8.637 1.00 0.00 C ATOM 452 OE1 GLU A 31 -12.926 4.489 -8.086 1.00 0.00 O ATOM 453 OE2 GLU A 31 -12.087 3.403 -9.802 1.00 0.00 O ATOM 0 H GLU A 31 -8.024 6.486 -7.532 1.00 0.00 H new ATOM 0 HA GLU A 31 -8.253 3.930 -6.633 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -10.120 5.494 -7.097 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -9.874 5.292 -8.820 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.222 2.727 -8.273 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.992 3.340 -6.824 1.00 0.00 H new ATOM 460 N GLY A 32 -7.582 2.201 -8.261 1.00 0.00 N ATOM 461 CA GLY A 32 -7.118 1.191 -9.194 1.00 0.00 C ATOM 462 C GLY A 32 -5.607 1.070 -9.214 1.00 0.00 C ATOM 463 O GLY A 32 -5.011 0.845 -10.267 1.00 0.00 O ATOM 0 H GLY A 32 -7.675 1.883 -7.296 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.553 0.228 -8.928 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -7.473 1.435 -10.195 1.00 0.00 H new ATOM 467 N GLU A 33 -4.987 1.222 -8.048 1.00 0.00 N ATOM 468 CA GLU A 33 -3.536 1.131 -7.939 1.00 0.00 C ATOM 469 C GLU A 33 -3.134 0.126 -6.863 1.00 0.00 C ATOM 470 O GLU A 33 -3.870 -0.101 -5.903 1.00 0.00 O ATOM 471 CB GLU A 33 -2.939 2.503 -7.619 1.00 0.00 C ATOM 472 CG GLU A 33 -2.854 3.426 -8.822 1.00 0.00 C ATOM 473 CD GLU A 33 -1.884 2.924 -9.875 1.00 0.00 C ATOM 474 OE1 GLU A 33 -0.688 2.766 -9.551 1.00 0.00 O ATOM 475 OE2 GLU A 33 -2.320 2.689 -11.021 1.00 0.00 O ATOM 0 H GLU A 33 -5.466 1.408 -7.167 1.00 0.00 H new ATOM 0 HA GLU A 33 -3.146 0.788 -8.897 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -3.542 2.981 -6.847 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -1.940 2.367 -7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -3.844 3.531 -9.266 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -2.546 4.418 -8.493 1.00 0.00 H new ATOM 482 N VAL A 34 -1.960 -0.474 -7.030 1.00 0.00 N ATOM 483 CA VAL A 34 -1.458 -1.454 -6.076 1.00 0.00 C ATOM 484 C VAL A 34 -0.295 -0.890 -5.268 1.00 0.00 C ATOM 485 O VAL A 34 0.700 -0.431 -5.831 1.00 0.00 O ATOM 486 CB VAL A 34 -1.001 -2.744 -6.782 1.00 0.00 C ATOM 487 CG1 VAL A 34 -0.506 -3.762 -5.766 1.00 0.00 C ATOM 488 CG2 VAL A 34 -2.130 -3.321 -7.621 1.00 0.00 C ATOM 0 H VAL A 34 -1.338 -0.298 -7.819 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.283 -1.690 -5.404 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.174 -2.499 -7.448 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.187 -4.667 -6.283 1.00 0.00 H new ATOM 0 HG12 VAL A 34 0.336 -3.345 -5.213 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.311 -4.005 -5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.789 -4.232 -8.113 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.980 -3.552 -6.978 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.432 -2.593 -8.374 1.00 0.00 H new ATOM 498 N ILE A 35 -0.426 -0.926 -3.946 1.00 0.00 N ATOM 499 CA ILE A 35 0.615 -0.419 -3.061 1.00 0.00 C ATOM 500 C ILE A 35 1.231 -1.545 -2.236 1.00 0.00 C ATOM 501 O ILE A 35 0.535 -2.463 -1.802 1.00 0.00 O ATOM 502 CB ILE A 35 0.069 0.661 -2.109 1.00 0.00 C ATOM 503 CG1 ILE A 35 -0.601 1.782 -2.906 1.00 0.00 C ATOM 504 CG2 ILE A 35 1.187 1.215 -1.239 1.00 0.00 C ATOM 505 CD1 ILE A 35 -1.481 2.679 -2.064 1.00 0.00 C ATOM 0 H ILE A 35 -1.243 -1.301 -3.464 1.00 0.00 H new ATOM 0 HA ILE A 35 1.382 0.024 -3.697 1.00 0.00 H new ATOM 0 HB ILE A 35 -0.679 0.207 -1.458 1.00 0.00 H new ATOM 0 HG12 ILE A 35 0.169 2.387 -3.384 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -1.201 1.342 -3.703 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.785 1.977 -0.572 1.00 0.00 H new ATOM 0 HG22 ILE A 35 1.622 0.409 -0.649 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.956 1.657 -1.873 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -1.923 3.451 -2.694 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -2.273 2.086 -1.607 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.882 3.148 -1.283 1.00 0.00 H new ATOM 517 N ILE A 36 2.539 -1.466 -2.023 1.00 0.00 N ATOM 518 CA ILE A 36 3.249 -2.476 -1.247 1.00 0.00 C ATOM 519 C ILE A 36 3.582 -1.963 0.150 1.00 0.00 C ATOM 520 O ILE A 36 4.453 -1.108 0.317 1.00 0.00 O ATOM 521 CB ILE A 36 4.551 -2.911 -1.945 1.00 0.00 C ATOM 522 CG1 ILE A 36 4.241 -3.514 -3.318 1.00 0.00 C ATOM 523 CG2 ILE A 36 5.307 -3.910 -1.082 1.00 0.00 C ATOM 524 CD1 ILE A 36 3.295 -4.692 -3.261 1.00 0.00 C ATOM 0 H ILE A 36 3.130 -0.713 -2.377 1.00 0.00 H new ATOM 0 HA ILE A 36 2.584 -3.336 -1.167 1.00 0.00 H new ATOM 0 HB ILE A 36 5.181 -2.033 -2.087 1.00 0.00 H new ATOM 0 HG12 ILE A 36 3.809 -2.742 -3.956 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.173 -3.830 -3.786 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.225 -4.208 -1.589 1.00 0.00 H new ATOM 0 HG22 ILE A 36 5.554 -3.450 -0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 36 4.685 -4.789 -0.913 1.00 0.00 H new ATOM 0 HD11 ILE A 36 3.121 -5.068 -4.269 1.00 0.00 H new ATOM 0 HD12 ILE A 36 3.733 -5.481 -2.650 1.00 0.00 H new ATOM 0 HD13 ILE A 36 2.348 -4.377 -2.822 1.00 0.00 H new ATOM 536 N VAL A 37 2.885 -2.490 1.150 1.00 0.00 N ATOM 537 CA VAL A 37 3.109 -2.088 2.534 1.00 0.00 C ATOM 538 C VAL A 37 4.444 -2.614 3.050 1.00 0.00 C ATOM 539 O VAL A 37 4.599 -3.810 3.298 1.00 0.00 O ATOM 540 CB VAL A 37 1.981 -2.592 3.454 1.00 0.00 C ATOM 541 CG1 VAL A 37 2.125 -2.002 4.848 1.00 0.00 C ATOM 542 CG2 VAL A 37 0.620 -2.256 2.862 1.00 0.00 C ATOM 0 H VAL A 37 2.160 -3.197 1.028 1.00 0.00 H new ATOM 0 HA VAL A 37 3.121 -0.998 2.549 1.00 0.00 H new ATOM 0 HB VAL A 37 2.059 -3.676 3.535 1.00 0.00 H new ATOM 0 HG11 VAL A 37 1.319 -2.369 5.484 1.00 0.00 H new ATOM 0 HG12 VAL A 37 3.085 -2.298 5.271 1.00 0.00 H new ATOM 0 HG13 VAL A 37 2.074 -0.915 4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -0.165 -2.619 3.525 1.00 0.00 H new ATOM 0 HG22 VAL A 37 0.529 -1.176 2.750 1.00 0.00 H new ATOM 0 HG23 VAL A 37 0.520 -2.732 1.886 1.00 0.00 H new ATOM 552 N THR A 38 5.406 -1.712 3.211 1.00 0.00 N ATOM 553 CA THR A 38 6.729 -2.083 3.697 1.00 0.00 C ATOM 554 C THR A 38 6.905 -1.698 5.162 1.00 0.00 C ATOM 555 O THR A 38 7.430 -2.474 5.959 1.00 0.00 O ATOM 556 CB THR A 38 7.841 -1.417 2.866 1.00 0.00 C ATOM 557 OG1 THR A 38 7.730 0.008 2.951 1.00 0.00 O ATOM 558 CG2 THR A 38 7.761 -1.850 1.410 1.00 0.00 C ATOM 0 H THR A 38 5.294 -0.718 3.012 1.00 0.00 H new ATOM 0 HA THR A 38 6.810 -3.165 3.596 1.00 0.00 H new ATOM 0 HB THR A 38 8.803 -1.731 3.270 1.00 0.00 H new ATOM 0 HG1 THR A 38 8.442 0.424 2.421 1.00 0.00 H new ATOM 0 HG21 THR A 38 8.556 -1.367 0.842 1.00 0.00 H new ATOM 0 HG22 THR A 38 7.875 -2.932 1.345 1.00 0.00 H new ATOM 0 HG23 THR A 38 6.794 -1.562 0.997 1.00 0.00 H new ATOM 566 N GLY A 39 6.461 -0.493 5.510 1.00 0.00 N ATOM 567 CA GLY A 39 6.579 -0.026 6.878 1.00 0.00 C ATOM 568 C GLY A 39 5.259 0.466 7.438 1.00 0.00 C ATOM 569 O GLY A 39 4.807 1.561 7.105 1.00 0.00 O ATOM 0 H GLY A 39 6.022 0.167 4.868 1.00 0.00 H new ATOM 0 HA2 GLY A 39 6.957 -0.835 7.504 1.00 0.00 H new ATOM 0 HA3 GLY A 39 7.312 0.780 6.922 1.00 0.00 H new ATOM 573 N GLU A 40 4.640 -0.346 8.289 1.00 0.00 N ATOM 574 CA GLU A 40 3.362 0.014 8.894 1.00 0.00 C ATOM 575 C GLU A 40 3.548 1.092 9.957 1.00 0.00 C ATOM 576 O GLU A 40 4.142 0.847 11.007 1.00 0.00 O ATOM 577 CB GLU A 40 2.701 -1.220 9.513 1.00 0.00 C ATOM 578 CG GLU A 40 1.546 -0.888 10.443 1.00 0.00 C ATOM 579 CD GLU A 40 1.117 -2.073 11.286 1.00 0.00 C ATOM 580 OE1 GLU A 40 1.314 -3.222 10.837 1.00 0.00 O ATOM 581 OE2 GLU A 40 0.584 -1.853 12.393 1.00 0.00 O ATOM 0 H GLU A 40 5.001 -1.256 8.575 1.00 0.00 H new ATOM 0 HA GLU A 40 2.716 0.409 8.110 1.00 0.00 H new ATOM 0 HB2 GLU A 40 2.339 -1.867 8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.451 -1.785 10.066 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.837 -0.067 11.098 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.698 -0.540 9.853 1.00 0.00 H new ATOM 588 N GLU A 41 3.035 2.287 9.677 1.00 0.00 N ATOM 589 CA GLU A 41 3.146 3.402 10.609 1.00 0.00 C ATOM 590 C GLU A 41 2.160 3.247 11.764 1.00 0.00 C ATOM 591 O GLU A 41 2.479 3.560 12.911 1.00 0.00 O ATOM 592 CB GLU A 41 2.894 4.727 9.885 1.00 0.00 C ATOM 593 CG GLU A 41 3.514 5.928 10.579 1.00 0.00 C ATOM 594 CD GLU A 41 4.908 5.642 11.104 1.00 0.00 C ATOM 595 OE1 GLU A 41 5.861 5.655 10.297 1.00 0.00 O ATOM 596 OE2 GLU A 41 5.045 5.406 12.322 1.00 0.00 O ATOM 0 H GLU A 41 2.539 2.507 8.813 1.00 0.00 H new ATOM 0 HA GLU A 41 4.158 3.403 11.015 1.00 0.00 H new ATOM 0 HB2 GLU A 41 3.291 4.659 8.872 1.00 0.00 H new ATOM 0 HB3 GLU A 41 1.819 4.884 9.797 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.557 6.764 9.881 1.00 0.00 H new ATOM 0 HG3 GLU A 41 2.874 6.236 11.406 1.00 0.00 H new ATOM 603 N ASP A 42 0.964 2.761 11.452 1.00 0.00 N ATOM 604 CA ASP A 42 -0.068 2.563 12.463 1.00 0.00 C ATOM 605 C ASP A 42 -1.166 1.639 11.944 1.00 0.00 C ATOM 606 O ASP A 42 -1.146 1.226 10.786 1.00 0.00 O ATOM 607 CB ASP A 42 -0.670 3.907 12.878 1.00 0.00 C ATOM 608 CG ASP A 42 0.342 4.808 13.559 1.00 0.00 C ATOM 609 OD1 ASP A 42 0.752 4.488 14.695 1.00 0.00 O ATOM 610 OD2 ASP A 42 0.724 5.832 12.957 1.00 0.00 O ATOM 0 H ASP A 42 0.685 2.497 10.507 1.00 0.00 H new ATOM 0 HA ASP A 42 0.394 2.097 13.333 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -1.067 4.412 11.997 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -1.509 3.734 13.551 1.00 0.00 H new ATOM 615 N GLN A 43 -2.122 1.320 12.811 1.00 0.00 N ATOM 616 CA GLN A 43 -3.226 0.442 12.441 1.00 0.00 C ATOM 617 C GLN A 43 -4.220 1.171 11.543 1.00 0.00 C ATOM 618 O GLN A 43 -5.212 0.590 11.101 1.00 0.00 O ATOM 619 CB GLN A 43 -3.936 -0.075 13.693 1.00 0.00 C ATOM 620 CG GLN A 43 -3.149 -1.139 14.442 1.00 0.00 C ATOM 621 CD GLN A 43 -3.427 -1.129 15.932 1.00 0.00 C ATOM 622 OE1 GLN A 43 -2.504 -1.108 16.748 1.00 0.00 O ATOM 623 NE2 GLN A 43 -4.704 -1.145 16.297 1.00 0.00 N ATOM 0 H GLN A 43 -2.154 1.656 13.773 1.00 0.00 H new ATOM 0 HA GLN A 43 -2.817 -0.404 11.889 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -4.128 0.762 14.364 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -4.905 -0.485 13.408 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -3.395 -2.120 14.037 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -2.083 -0.983 14.274 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -5.437 -1.162 15.588 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -4.952 -1.140 17.286 1.00 0.00 H new ATOM 632 N GLU A 44 -3.948 2.444 11.277 1.00 0.00 N ATOM 633 CA GLU A 44 -4.821 3.250 10.431 1.00 0.00 C ATOM 634 C GLU A 44 -4.053 3.821 9.243 1.00 0.00 C ATOM 635 O GLU A 44 -4.626 4.075 8.184 1.00 0.00 O ATOM 636 CB GLU A 44 -5.446 4.387 11.243 1.00 0.00 C ATOM 637 CG GLU A 44 -6.441 3.914 12.288 1.00 0.00 C ATOM 638 CD GLU A 44 -7.748 3.443 11.678 1.00 0.00 C ATOM 639 OE1 GLU A 44 -7.746 2.388 11.011 1.00 0.00 O ATOM 640 OE2 GLU A 44 -8.773 4.131 11.869 1.00 0.00 O ATOM 0 H GLU A 44 -3.131 2.939 11.634 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.614 2.605 10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -4.653 4.948 11.737 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -5.947 5.075 10.562 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -5.999 3.101 12.863 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -6.642 4.726 12.987 1.00 0.00 H new ATOM 647 N TRP A 45 -2.752 4.021 9.429 1.00 0.00 N ATOM 648 CA TRP A 45 -1.905 4.562 8.373 1.00 0.00 C ATOM 649 C TRP A 45 -0.743 3.623 8.071 1.00 0.00 C ATOM 650 O TRP A 45 -0.005 3.225 8.974 1.00 0.00 O ATOM 651 CB TRP A 45 -1.372 5.939 8.774 1.00 0.00 C ATOM 652 CG TRP A 45 -2.451 6.964 8.955 1.00 0.00 C ATOM 653 CD1 TRP A 45 -3.295 7.085 10.023 1.00 0.00 C ATOM 654 CD2 TRP A 45 -2.803 8.008 8.042 1.00 0.00 C ATOM 655 NE1 TRP A 45 -4.150 8.143 9.828 1.00 0.00 N ATOM 656 CE2 TRP A 45 -3.869 8.726 8.621 1.00 0.00 C ATOM 657 CE3 TRP A 45 -2.322 8.409 6.793 1.00 0.00 C ATOM 658 CZ2 TRP A 45 -4.459 9.819 7.991 1.00 0.00 C ATOM 659 CZ3 TRP A 45 -2.908 9.493 6.169 1.00 0.00 C ATOM 660 CH2 TRP A 45 -3.967 10.189 6.768 1.00 0.00 C ATOM 0 H TRP A 45 -2.262 3.817 10.300 1.00 0.00 H new ATOM 0 HA TRP A 45 -2.510 4.662 7.472 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -0.809 5.846 9.703 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -0.675 6.287 8.012 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -3.291 6.444 10.892 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -4.876 8.445 10.477 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -1.506 7.880 6.323 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -5.276 10.356 8.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -2.544 9.810 5.203 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -4.403 11.033 6.255 1.00 0.00 H new ATOM 671 N TRP A 46 -0.586 3.271 6.801 1.00 0.00 N ATOM 672 CA TRP A 46 0.488 2.377 6.382 1.00 0.00 C ATOM 673 C TRP A 46 1.396 3.058 5.364 1.00 0.00 C ATOM 674 O TRP A 46 1.030 4.072 4.772 1.00 0.00 O ATOM 675 CB TRP A 46 -0.092 1.094 5.787 1.00 0.00 C ATOM 676 CG TRP A 46 -0.785 0.230 6.799 1.00 0.00 C ATOM 677 CD1 TRP A 46 -0.677 0.314 8.158 1.00 0.00 C ATOM 678 CD2 TRP A 46 -1.688 -0.848 6.531 1.00 0.00 C ATOM 679 NE1 TRP A 46 -1.460 -0.647 8.750 1.00 0.00 N ATOM 680 CE2 TRP A 46 -2.091 -1.372 7.774 1.00 0.00 C ATOM 681 CE3 TRP A 46 -2.199 -1.418 5.362 1.00 0.00 C ATOM 682 CZ2 TRP A 46 -2.978 -2.441 7.879 1.00 0.00 C ATOM 683 CZ3 TRP A 46 -3.078 -2.478 5.468 1.00 0.00 C ATOM 684 CH2 TRP A 46 -3.462 -2.980 6.719 1.00 0.00 C ATOM 0 H TRP A 46 -1.189 3.591 6.043 1.00 0.00 H new ATOM 0 HA TRP A 46 1.082 2.126 7.261 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.798 1.354 4.998 1.00 0.00 H new ATOM 0 HB3 TRP A 46 0.711 0.523 5.321 1.00 0.00 H new ATOM 0 HD1 TRP A 46 -0.067 1.030 8.688 1.00 0.00 H new ATOM 0 HE1 TRP A 46 -1.556 -0.797 9.754 1.00 0.00 H new ATOM 0 HE3 TRP A 46 -1.912 -1.037 4.393 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 -3.273 -2.830 8.842 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 -3.477 -2.928 4.571 1.00 0.00 H new ATOM 0 HH2 TRP A 46 -4.153 -3.808 6.768 1.00 0.00 H new ATOM 695 N ILE A 47 2.583 2.493 5.166 1.00 0.00 N ATOM 696 CA ILE A 47 3.543 3.045 4.219 1.00 0.00 C ATOM 697 C ILE A 47 3.940 2.011 3.171 1.00 0.00 C ATOM 698 O ILE A 47 4.099 0.830 3.479 1.00 0.00 O ATOM 699 CB ILE A 47 4.812 3.550 4.932 1.00 0.00 C ATOM 700 CG1 ILE A 47 4.436 4.433 6.125 1.00 0.00 C ATOM 701 CG2 ILE A 47 5.699 4.313 3.959 1.00 0.00 C ATOM 702 CD1 ILE A 47 5.514 4.509 7.183 1.00 0.00 C ATOM 0 H ILE A 47 2.902 1.653 5.649 1.00 0.00 H new ATOM 0 HA ILE A 47 3.053 3.886 3.728 1.00 0.00 H new ATOM 0 HB ILE A 47 5.370 2.690 5.302 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.217 5.439 5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.521 4.049 6.577 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.591 4.663 4.478 1.00 0.00 H new ATOM 0 HG22 ILE A 47 5.990 3.656 3.140 1.00 0.00 H new ATOM 0 HG23 ILE A 47 5.152 5.168 3.561 1.00 0.00 H new ATOM 0 HD11 ILE A 47 5.179 5.151 7.998 1.00 0.00 H new ATOM 0 HD12 ILE A 47 5.717 3.510 7.568 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.424 4.921 6.746 1.00 0.00 H new ATOM 714 N GLY A 48 4.100 2.463 1.932 1.00 0.00 N ATOM 715 CA GLY A 48 4.478 1.563 0.858 1.00 0.00 C ATOM 716 C GLY A 48 4.870 2.303 -0.407 1.00 0.00 C ATOM 717 O GLY A 48 5.002 3.528 -0.403 1.00 0.00 O ATOM 0 H GLY A 48 3.975 3.436 1.652 1.00 0.00 H new ATOM 0 HA2 GLY A 48 5.312 0.942 1.185 1.00 0.00 H new ATOM 0 HA3 GLY A 48 3.647 0.892 0.640 1.00 0.00 H new ATOM 721 N HIS A 49 5.059 1.559 -1.492 1.00 0.00 N ATOM 722 CA HIS A 49 5.439 2.151 -2.769 1.00 0.00 C ATOM 723 C HIS A 49 4.647 1.528 -3.914 1.00 0.00 C ATOM 724 O HIS A 49 4.288 0.351 -3.865 1.00 0.00 O ATOM 725 CB HIS A 49 6.938 1.972 -3.013 1.00 0.00 C ATOM 726 CG HIS A 49 7.388 0.545 -2.953 1.00 0.00 C ATOM 727 ND1 HIS A 49 6.921 -0.428 -3.812 1.00 0.00 N ATOM 728 CD2 HIS A 49 8.269 -0.072 -2.132 1.00 0.00 C ATOM 729 CE1 HIS A 49 7.494 -1.582 -3.520 1.00 0.00 C ATOM 730 NE2 HIS A 49 8.317 -1.392 -2.504 1.00 0.00 N ATOM 0 H HIS A 49 4.955 0.545 -1.512 1.00 0.00 H new ATOM 0 HA HIS A 49 5.210 3.216 -2.730 1.00 0.00 H new ATOM 0 HB2 HIS A 49 7.190 2.383 -3.990 1.00 0.00 H new ATOM 0 HB3 HIS A 49 7.490 2.550 -2.272 1.00 0.00 H new ATOM 0 HD1 HIS A 49 6.240 -0.280 -4.556 1.00 0.00 H new ATOM 0 HD2 HIS A 49 8.830 0.389 -1.332 1.00 0.00 H new ATOM 0 HE1 HIS A 49 7.320 -2.520 -4.025 1.00 0.00 H new ATOM 739 N ILE A 50 4.378 2.324 -4.944 1.00 0.00 N ATOM 740 CA ILE A 50 3.630 1.849 -6.101 1.00 0.00 C ATOM 741 C ILE A 50 4.312 0.645 -6.741 1.00 0.00 C ATOM 742 O ILE A 50 5.417 0.756 -7.273 1.00 0.00 O ATOM 743 CB ILE A 50 3.467 2.956 -7.159 1.00 0.00 C ATOM 744 CG1 ILE A 50 2.752 4.167 -6.557 1.00 0.00 C ATOM 745 CG2 ILE A 50 2.704 2.428 -8.365 1.00 0.00 C ATOM 746 CD1 ILE A 50 1.397 3.837 -5.969 1.00 0.00 C ATOM 0 H ILE A 50 4.667 3.301 -5.000 1.00 0.00 H new ATOM 0 HA ILE A 50 2.644 1.555 -5.740 1.00 0.00 H new ATOM 0 HB ILE A 50 4.457 3.271 -7.489 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.381 4.601 -5.779 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.629 4.927 -7.329 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.597 3.222 -9.104 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.251 1.594 -8.805 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.717 2.089 -8.051 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.948 4.742 -5.560 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.751 3.431 -6.748 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.515 3.100 -5.175 1.00 0.00 H new ATOM 758 N GLU A 51 3.646 -0.504 -6.689 1.00 0.00 N ATOM 759 CA GLU A 51 4.189 -1.729 -7.264 1.00 0.00 C ATOM 760 C GLU A 51 5.000 -1.425 -8.521 1.00 0.00 C ATOM 761 O GLU A 51 6.165 -1.806 -8.628 1.00 0.00 O ATOM 762 CB GLU A 51 3.061 -2.707 -7.596 1.00 0.00 C ATOM 763 CG GLU A 51 3.530 -4.140 -7.772 1.00 0.00 C ATOM 764 CD GLU A 51 2.402 -5.082 -8.150 1.00 0.00 C ATOM 765 OE1 GLU A 51 1.894 -4.972 -9.286 1.00 0.00 O ATOM 766 OE2 GLU A 51 2.030 -5.928 -7.311 1.00 0.00 O ATOM 0 H GLU A 51 2.730 -0.612 -6.255 1.00 0.00 H new ATOM 0 HA GLU A 51 4.849 -2.185 -6.527 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.316 -2.673 -6.801 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.566 -2.381 -8.511 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.300 -4.174 -8.543 1.00 0.00 H new ATOM 0 HG3 GLU A 51 3.990 -4.484 -6.846 1.00 0.00 H new ATOM 773 N GLY A 52 4.374 -0.737 -9.471 1.00 0.00 N ATOM 774 CA GLY A 52 5.052 -0.395 -10.708 1.00 0.00 C ATOM 775 C GLY A 52 6.121 0.661 -10.510 1.00 0.00 C ATOM 776 O GLY A 52 7.213 0.558 -11.067 1.00 0.00 O ATOM 0 H GLY A 52 3.410 -0.410 -9.406 1.00 0.00 H new ATOM 0 HA2 GLY A 52 5.505 -1.292 -11.130 1.00 0.00 H new ATOM 0 HA3 GLY A 52 4.321 -0.036 -11.432 1.00 0.00 H new ATOM 780 N GLN A 53 5.805 1.680 -9.717 1.00 0.00 N ATOM 781 CA GLN A 53 6.746 2.761 -9.451 1.00 0.00 C ATOM 782 C GLN A 53 7.240 2.710 -8.008 1.00 0.00 C ATOM 783 O GLN A 53 6.613 3.245 -7.093 1.00 0.00 O ATOM 784 CB GLN A 53 6.095 4.116 -9.731 1.00 0.00 C ATOM 785 CG GLN A 53 6.119 4.510 -11.199 1.00 0.00 C ATOM 786 CD GLN A 53 5.394 5.815 -11.465 1.00 0.00 C ATOM 787 OE1 GLN A 53 5.998 6.889 -11.441 1.00 0.00 O ATOM 788 NE2 GLN A 53 4.095 5.730 -11.720 1.00 0.00 N ATOM 0 H GLN A 53 4.905 1.779 -9.248 1.00 0.00 H new ATOM 0 HA GLN A 53 7.601 2.634 -10.115 1.00 0.00 H new ATOM 0 HB2 GLN A 53 5.061 4.091 -9.387 1.00 0.00 H new ATOM 0 HB3 GLN A 53 6.606 4.883 -9.149 1.00 0.00 H new ATOM 0 HG2 GLN A 53 7.154 4.599 -11.530 1.00 0.00 H new ATOM 0 HG3 GLN A 53 5.662 3.717 -11.792 1.00 0.00 H new ATOM 0 HE21 GLN A 53 3.636 4.819 -11.730 1.00 0.00 H new ATOM 0 HE22 GLN A 53 3.555 6.575 -11.906 1.00 0.00 H new ATOM 797 N PRO A 54 8.388 2.049 -7.798 1.00 0.00 N ATOM 798 CA PRO A 54 8.991 1.913 -6.469 1.00 0.00 C ATOM 799 C PRO A 54 9.540 3.235 -5.942 1.00 0.00 C ATOM 800 O PRO A 54 9.381 3.557 -4.765 1.00 0.00 O ATOM 801 CB PRO A 54 10.128 0.915 -6.696 1.00 0.00 C ATOM 802 CG PRO A 54 10.474 1.056 -8.138 1.00 0.00 C ATOM 803 CD PRO A 54 9.187 1.387 -8.842 1.00 0.00 C ATOM 0 HA PRO A 54 8.264 1.590 -5.723 1.00 0.00 H new ATOM 0 HB2 PRO A 54 10.984 1.139 -6.060 1.00 0.00 H new ATOM 0 HB3 PRO A 54 9.814 -0.102 -6.462 1.00 0.00 H new ATOM 0 HG2 PRO A 54 11.214 1.843 -8.287 1.00 0.00 H new ATOM 0 HG3 PRO A 54 10.906 0.134 -8.528 1.00 0.00 H new ATOM 0 HD2 PRO A 54 9.354 2.043 -9.697 1.00 0.00 H new ATOM 0 HD3 PRO A 54 8.693 0.491 -9.219 1.00 0.00 H new ATOM 811 N GLU A 55 10.184 3.995 -6.822 1.00 0.00 N ATOM 812 CA GLU A 55 10.756 5.282 -6.444 1.00 0.00 C ATOM 813 C GLU A 55 9.766 6.094 -5.613 1.00 0.00 C ATOM 814 O GLU A 55 10.158 6.976 -4.849 1.00 0.00 O ATOM 815 CB GLU A 55 11.161 6.071 -7.690 1.00 0.00 C ATOM 816 CG GLU A 55 10.071 6.141 -8.747 1.00 0.00 C ATOM 817 CD GLU A 55 10.281 7.278 -9.727 1.00 0.00 C ATOM 818 OE1 GLU A 55 11.353 7.320 -10.366 1.00 0.00 O ATOM 819 OE2 GLU A 55 9.374 8.127 -9.855 1.00 0.00 O ATOM 0 H GLU A 55 10.323 3.742 -7.800 1.00 0.00 H new ATOM 0 HA GLU A 55 11.643 5.093 -5.839 1.00 0.00 H new ATOM 0 HB2 GLU A 55 11.435 7.084 -7.395 1.00 0.00 H new ATOM 0 HB3 GLU A 55 12.050 5.614 -8.126 1.00 0.00 H new ATOM 0 HG2 GLU A 55 10.038 5.198 -9.292 1.00 0.00 H new ATOM 0 HG3 GLU A 55 9.104 6.261 -8.259 1.00 0.00 H new ATOM 826 N ARG A 56 8.482 5.790 -5.768 1.00 0.00 N ATOM 827 CA ARG A 56 7.436 6.492 -5.035 1.00 0.00 C ATOM 828 C ARG A 56 7.052 5.728 -3.771 1.00 0.00 C ATOM 829 O ARG A 56 6.519 4.620 -3.839 1.00 0.00 O ATOM 830 CB ARG A 56 6.204 6.685 -5.922 1.00 0.00 C ATOM 831 CG ARG A 56 6.496 7.421 -7.219 1.00 0.00 C ATOM 832 CD ARG A 56 5.273 7.466 -8.121 1.00 0.00 C ATOM 833 NE ARG A 56 4.175 8.218 -7.517 1.00 0.00 N ATOM 834 CZ ARG A 56 3.069 8.556 -8.170 1.00 0.00 C ATOM 835 NH1 ARG A 56 2.914 8.211 -9.441 1.00 0.00 N ATOM 836 NH2 ARG A 56 2.114 9.239 -7.553 1.00 0.00 N ATOM 0 H ARG A 56 8.141 5.062 -6.395 1.00 0.00 H new ATOM 0 HA ARG A 56 7.823 7.469 -4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 56 5.779 5.709 -6.156 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.448 7.237 -5.364 1.00 0.00 H new ATOM 0 HG2 ARG A 56 6.823 8.437 -6.997 1.00 0.00 H new ATOM 0 HG3 ARG A 56 7.317 6.929 -7.741 1.00 0.00 H new ATOM 0 HD2 ARG A 56 5.542 7.920 -9.075 1.00 0.00 H new ATOM 0 HD3 ARG A 56 4.942 6.450 -8.334 1.00 0.00 H new ATOM 0 HE ARG A 56 4.263 8.499 -6.540 1.00 0.00 H new ATOM 0 HH11 ARG A 56 3.645 7.685 -9.919 1.00 0.00 H new ATOM 0 HH12 ARG A 56 2.064 8.472 -9.940 1.00 0.00 H new ATOM 0 HH21 ARG A 56 2.228 9.506 -6.575 1.00 0.00 H new ATOM 0 HH22 ARG A 56 1.265 9.498 -8.056 1.00 0.00 H new ATOM 850 N LYS A 57 7.327 6.328 -2.618 1.00 0.00 N ATOM 851 CA LYS A 57 7.011 5.706 -1.337 1.00 0.00 C ATOM 852 C LYS A 57 6.559 6.751 -0.322 1.00 0.00 C ATOM 853 O LYS A 57 7.305 7.672 0.009 1.00 0.00 O ATOM 854 CB LYS A 57 8.227 4.949 -0.801 1.00 0.00 C ATOM 855 CG LYS A 57 9.460 5.820 -0.630 1.00 0.00 C ATOM 856 CD LYS A 57 10.711 4.983 -0.425 1.00 0.00 C ATOM 857 CE LYS A 57 11.972 5.800 -0.656 1.00 0.00 C ATOM 858 NZ LYS A 57 12.067 6.952 0.283 1.00 0.00 N ATOM 0 H LYS A 57 7.768 7.245 -2.544 1.00 0.00 H new ATOM 0 HA LYS A 57 6.194 5.002 -1.494 1.00 0.00 H new ATOM 0 HB2 LYS A 57 7.972 4.503 0.160 1.00 0.00 H new ATOM 0 HB3 LYS A 57 8.463 4.130 -1.480 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.584 6.452 -1.509 1.00 0.00 H new ATOM 0 HG3 LYS A 57 9.322 6.484 0.223 1.00 0.00 H new ATOM 0 HD2 LYS A 57 10.718 4.579 0.587 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.697 4.133 -1.107 1.00 0.00 H new ATOM 0 HE2 LYS A 57 12.846 5.160 -0.535 1.00 0.00 H new ATOM 0 HE3 LYS A 57 11.984 6.166 -1.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 12.964 7.454 0.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 11.273 7.603 0.116 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.030 6.605 1.263 1.00 0.00 H new ATOM 872 N GLY A 58 5.333 6.601 0.171 1.00 0.00 N ATOM 873 CA GLY A 58 4.806 7.538 1.145 1.00 0.00 C ATOM 874 C GLY A 58 3.658 6.957 1.947 1.00 0.00 C ATOM 875 O GLY A 58 2.989 6.024 1.500 1.00 0.00 O ATOM 0 H GLY A 58 4.696 5.847 -0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 58 5.604 7.839 1.824 1.00 0.00 H new ATOM 0 HA3 GLY A 58 4.468 8.438 0.632 1.00 0.00 H new ATOM 879 N VAL A 59 3.429 7.506 3.135 1.00 0.00 N ATOM 880 CA VAL A 59 2.355 7.036 4.001 1.00 0.00 C ATOM 881 C VAL A 59 0.993 7.240 3.348 1.00 0.00 C ATOM 882 O VAL A 59 0.798 8.179 2.574 1.00 0.00 O ATOM 883 CB VAL A 59 2.373 7.759 5.361 1.00 0.00 C ATOM 884 CG1 VAL A 59 2.038 9.233 5.187 1.00 0.00 C ATOM 885 CG2 VAL A 59 1.406 7.095 6.330 1.00 0.00 C ATOM 0 H VAL A 59 3.974 8.278 3.520 1.00 0.00 H new ATOM 0 HA VAL A 59 2.522 5.971 4.162 1.00 0.00 H new ATOM 0 HB VAL A 59 3.377 7.686 5.778 1.00 0.00 H new ATOM 0 HG11 VAL A 59 2.056 9.727 6.158 1.00 0.00 H new ATOM 0 HG12 VAL A 59 2.773 9.698 4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 59 1.045 9.331 4.748 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.432 7.619 7.286 1.00 0.00 H new ATOM 0 HG22 VAL A 59 0.396 7.135 5.921 1.00 0.00 H new ATOM 0 HG23 VAL A 59 1.696 6.055 6.478 1.00 0.00 H new ATOM 895 N PHE A 60 0.052 6.356 3.663 1.00 0.00 N ATOM 896 CA PHE A 60 -1.293 6.439 3.106 1.00 0.00 C ATOM 897 C PHE A 60 -2.314 5.821 4.057 1.00 0.00 C ATOM 898 O PHE A 60 -2.031 4.862 4.775 1.00 0.00 O ATOM 899 CB PHE A 60 -1.351 5.734 1.750 1.00 0.00 C ATOM 900 CG PHE A 60 -0.928 4.294 1.804 1.00 0.00 C ATOM 901 CD1 PHE A 60 0.410 3.947 1.715 1.00 0.00 C ATOM 902 CD2 PHE A 60 -1.869 3.287 1.945 1.00 0.00 C ATOM 903 CE1 PHE A 60 0.802 2.623 1.764 1.00 0.00 C ATOM 904 CE2 PHE A 60 -1.483 1.961 1.995 1.00 0.00 C ATOM 905 CZ PHE A 60 -0.146 1.629 1.905 1.00 0.00 C ATOM 0 H PHE A 60 0.196 5.574 4.301 1.00 0.00 H new ATOM 0 HA PHE A 60 -1.539 7.492 2.971 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.368 5.791 1.363 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -0.712 6.266 1.045 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.156 4.721 1.606 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -2.916 3.541 2.017 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.848 2.366 1.692 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -2.226 1.185 2.104 1.00 0.00 H new ATOM 0 HZ PHE A 60 0.158 0.593 1.945 1.00 0.00 H new ATOM 915 N PRO A 61 -3.532 6.383 4.063 1.00 0.00 N ATOM 916 CA PRO A 61 -4.620 5.904 4.920 1.00 0.00 C ATOM 917 C PRO A 61 -5.145 4.541 4.485 1.00 0.00 C ATOM 918 O PRO A 61 -5.603 4.373 3.354 1.00 0.00 O ATOM 919 CB PRO A 61 -5.703 6.974 4.750 1.00 0.00 C ATOM 920 CG PRO A 61 -5.432 7.576 3.415 1.00 0.00 C ATOM 921 CD PRO A 61 -3.940 7.529 3.234 1.00 0.00 C ATOM 0 HA PRO A 61 -4.295 5.766 5.951 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -6.701 6.538 4.793 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -5.648 7.722 5.541 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -5.938 7.020 2.626 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -5.799 8.601 3.368 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -3.666 7.386 2.189 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -3.466 8.453 3.564 1.00 0.00 H new ATOM 929 N VAL A 62 -5.076 3.569 5.388 1.00 0.00 N ATOM 930 CA VAL A 62 -5.545 2.219 5.095 1.00 0.00 C ATOM 931 C VAL A 62 -7.039 2.210 4.793 1.00 0.00 C ATOM 932 O VAL A 62 -7.521 1.384 4.019 1.00 0.00 O ATOM 933 CB VAL A 62 -5.264 1.262 6.269 1.00 0.00 C ATOM 934 CG1 VAL A 62 -5.719 -0.150 5.927 1.00 0.00 C ATOM 935 CG2 VAL A 62 -3.787 1.281 6.631 1.00 0.00 C ATOM 0 H VAL A 62 -4.700 3.690 6.328 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.998 1.876 4.217 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.831 1.602 7.136 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.513 -0.812 6.768 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.789 -0.148 5.721 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -5.181 -0.502 5.047 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.607 0.599 7.462 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.197 0.967 5.770 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -3.496 2.291 6.921 1.00 0.00 H new ATOM 945 N SER A 63 -7.767 3.135 5.409 1.00 0.00 N ATOM 946 CA SER A 63 -9.209 3.233 5.209 1.00 0.00 C ATOM 947 C SER A 63 -9.533 3.561 3.755 1.00 0.00 C ATOM 948 O SER A 63 -10.691 3.510 3.338 1.00 0.00 O ATOM 949 CB SER A 63 -9.802 4.301 6.130 1.00 0.00 C ATOM 950 OG SER A 63 -11.178 4.503 5.856 1.00 0.00 O ATOM 0 H SER A 63 -7.383 3.828 6.051 1.00 0.00 H new ATOM 0 HA SER A 63 -9.652 2.268 5.453 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.675 4.000 7.170 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.261 5.238 6.001 1.00 0.00 H new ATOM 0 HG SER A 63 -11.400 4.108 4.987 1.00 0.00 H new ATOM 956 N PHE A 64 -8.503 3.900 2.987 1.00 0.00 N ATOM 957 CA PHE A 64 -8.678 4.239 1.579 1.00 0.00 C ATOM 958 C PHE A 64 -8.337 3.050 0.687 1.00 0.00 C ATOM 959 O PHE A 64 -8.785 2.969 -0.456 1.00 0.00 O ATOM 960 CB PHE A 64 -7.800 5.436 1.209 1.00 0.00 C ATOM 961 CG PHE A 64 -8.442 6.763 1.495 1.00 0.00 C ATOM 962 CD1 PHE A 64 -9.077 6.993 2.706 1.00 0.00 C ATOM 963 CD2 PHE A 64 -8.412 7.781 0.555 1.00 0.00 C ATOM 964 CE1 PHE A 64 -9.670 8.213 2.972 1.00 0.00 C ATOM 965 CE2 PHE A 64 -9.004 9.003 0.815 1.00 0.00 C ATOM 966 CZ PHE A 64 -9.633 9.219 2.026 1.00 0.00 C ATOM 0 H PHE A 64 -7.539 3.947 3.316 1.00 0.00 H new ATOM 0 HA PHE A 64 -9.724 4.501 1.421 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -6.861 5.370 1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -7.554 5.382 0.148 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -9.109 6.210 3.450 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -7.920 7.618 -0.392 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -10.162 8.380 3.919 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -8.975 9.787 0.073 1.00 0.00 H new ATOM 0 HZ PHE A 64 -10.095 10.173 2.233 1.00 0.00 H new ATOM 976 N VAL A 65 -7.542 2.127 1.220 1.00 0.00 N ATOM 977 CA VAL A 65 -7.141 0.940 0.473 1.00 0.00 C ATOM 978 C VAL A 65 -7.768 -0.318 1.063 1.00 0.00 C ATOM 979 O VAL A 65 -8.255 -0.311 2.195 1.00 0.00 O ATOM 980 CB VAL A 65 -5.609 0.778 0.456 1.00 0.00 C ATOM 981 CG1 VAL A 65 -4.937 2.093 0.094 1.00 0.00 C ATOM 982 CG2 VAL A 65 -5.114 0.269 1.801 1.00 0.00 C ATOM 0 H VAL A 65 -7.163 2.178 2.166 1.00 0.00 H new ATOM 0 HA VAL A 65 -7.496 1.074 -0.549 1.00 0.00 H new ATOM 0 HB VAL A 65 -5.346 0.043 -0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -3.855 1.959 0.087 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -5.270 2.412 -0.894 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.204 2.852 0.829 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.030 0.160 1.772 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -5.387 0.979 2.582 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.570 -0.698 2.015 1.00 0.00 H new ATOM 992 N HIS A 66 -7.754 -1.399 0.289 1.00 0.00 N ATOM 993 CA HIS A 66 -8.321 -2.666 0.736 1.00 0.00 C ATOM 994 C HIS A 66 -7.364 -3.820 0.450 1.00 0.00 C ATOM 995 O HIS A 66 -6.996 -4.063 -0.700 1.00 0.00 O ATOM 996 CB HIS A 66 -9.663 -2.919 0.049 1.00 0.00 C ATOM 997 CG HIS A 66 -9.540 -3.636 -1.261 1.00 0.00 C ATOM 998 ND1 HIS A 66 -10.192 -4.819 -1.536 1.00 0.00 N ATOM 999 CD2 HIS A 66 -8.836 -3.329 -2.374 1.00 0.00 C ATOM 1000 CE1 HIS A 66 -9.894 -5.210 -2.761 1.00 0.00 C ATOM 1001 NE2 HIS A 66 -9.071 -4.323 -3.293 1.00 0.00 N ATOM 0 H HIS A 66 -7.356 -1.423 -0.650 1.00 0.00 H new ATOM 0 HA HIS A 66 -8.479 -2.606 1.813 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -10.298 -3.503 0.715 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -10.164 -1.965 -0.114 1.00 0.00 H new ATOM 0 HD1 HIS A 66 -10.809 -5.315 -0.893 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -8.206 -2.463 -2.514 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -10.260 -6.103 -3.246 1.00 0.00 H new ATOM 1010 N ILE A 67 -6.965 -4.526 1.502 1.00 0.00 N ATOM 1011 CA ILE A 67 -6.051 -5.653 1.363 1.00 0.00 C ATOM 1012 C ILE A 67 -6.581 -6.669 0.356 1.00 0.00 C ATOM 1013 O ILE A 67 -7.670 -7.219 0.527 1.00 0.00 O ATOM 1014 CB ILE A 67 -5.818 -6.359 2.712 1.00 0.00 C ATOM 1015 CG1 ILE A 67 -5.323 -5.357 3.757 1.00 0.00 C ATOM 1016 CG2 ILE A 67 -4.823 -7.497 2.549 1.00 0.00 C ATOM 1017 CD1 ILE A 67 -5.252 -5.928 5.156 1.00 0.00 C ATOM 0 H ILE A 67 -7.260 -4.338 2.460 1.00 0.00 H new ATOM 0 HA ILE A 67 -5.104 -5.249 1.005 1.00 0.00 H new ATOM 0 HB ILE A 67 -6.764 -6.777 3.055 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -4.334 -5.002 3.468 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -5.985 -4.491 3.760 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -4.669 -7.986 3.511 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -5.212 -8.220 1.832 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -3.874 -7.102 2.187 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -4.893 -5.162 5.844 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -6.244 -6.258 5.465 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -4.568 -6.776 5.168 1.00 0.00 H new ATOM 1029 N LEU A 68 -5.802 -6.916 -0.692 1.00 0.00 N ATOM 1030 CA LEU A 68 -6.192 -7.868 -1.726 1.00 0.00 C ATOM 1031 C LEU A 68 -6.098 -9.301 -1.211 1.00 0.00 C ATOM 1032 O LEU A 68 -7.106 -9.999 -1.104 1.00 0.00 O ATOM 1033 CB LEU A 68 -5.306 -7.699 -2.962 1.00 0.00 C ATOM 1034 CG LEU A 68 -5.134 -6.269 -3.475 1.00 0.00 C ATOM 1035 CD1 LEU A 68 -3.863 -6.147 -4.300 1.00 0.00 C ATOM 1036 CD2 LEU A 68 -6.346 -5.847 -4.292 1.00 0.00 C ATOM 0 H LEU A 68 -4.898 -6.471 -0.848 1.00 0.00 H new ATOM 0 HA LEU A 68 -7.228 -7.667 -1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -4.319 -8.103 -2.735 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -5.721 -8.305 -3.767 1.00 0.00 H new ATOM 0 HG LEU A 68 -5.050 -5.603 -2.617 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.758 -5.122 -4.657 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -3.003 -6.407 -3.683 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.916 -6.824 -5.153 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -6.207 -4.827 -4.649 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -6.462 -6.517 -5.144 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -7.239 -5.894 -3.669 1.00 0.00 H new ATOM 1048 N SER A 69 -4.882 -9.731 -0.893 1.00 0.00 N ATOM 1049 CA SER A 69 -4.656 -11.081 -0.390 1.00 0.00 C ATOM 1050 C SER A 69 -4.947 -11.160 1.105 1.00 0.00 C ATOM 1051 O SER A 69 -4.197 -10.629 1.924 1.00 0.00 O ATOM 1052 CB SER A 69 -3.215 -11.516 -0.664 1.00 0.00 C ATOM 1053 OG SER A 69 -3.038 -12.895 -0.393 1.00 0.00 O ATOM 0 H SER A 69 -4.038 -9.164 -0.975 1.00 0.00 H new ATOM 0 HA SER A 69 -5.337 -11.754 -0.911 1.00 0.00 H new ATOM 0 HB2 SER A 69 -2.962 -11.311 -1.704 1.00 0.00 H new ATOM 0 HB3 SER A 69 -2.532 -10.931 -0.048 1.00 0.00 H new ATOM 0 HG SER A 69 -2.109 -13.148 -0.578 1.00 0.00 H new ATOM 1059 N ASP A 70 -6.042 -11.825 1.454 1.00 0.00 N ATOM 1060 CA ASP A 70 -6.434 -11.975 2.851 1.00 0.00 C ATOM 1061 C ASP A 70 -6.589 -13.448 3.217 1.00 0.00 C ATOM 1062 O ASP A 70 -6.992 -14.265 2.389 1.00 0.00 O ATOM 1063 CB ASP A 70 -7.743 -11.230 3.119 1.00 0.00 C ATOM 1064 CG ASP A 70 -8.724 -11.353 1.970 1.00 0.00 C ATOM 1065 OD1 ASP A 70 -8.791 -12.440 1.361 1.00 0.00 O ATOM 1066 OD2 ASP A 70 -9.426 -10.361 1.680 1.00 0.00 O ATOM 0 H ASP A 70 -6.675 -12.269 0.789 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.647 -11.546 3.471 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -8.201 -11.621 4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -7.528 -10.177 3.298 1.00 0.00 H new ATOM 1071 N SER A 71 -6.264 -13.780 4.463 1.00 0.00 N ATOM 1072 CA SER A 71 -6.362 -15.156 4.937 1.00 0.00 C ATOM 1073 C SER A 71 -7.821 -15.580 5.077 1.00 0.00 C ATOM 1074 O SER A 71 -8.718 -14.741 5.145 1.00 0.00 O ATOM 1075 CB SER A 71 -5.643 -15.307 6.280 1.00 0.00 C ATOM 1076 OG SER A 71 -4.252 -15.508 6.094 1.00 0.00 O ATOM 0 H SER A 71 -5.931 -13.116 5.162 1.00 0.00 H new ATOM 0 HA SER A 71 -5.883 -15.803 4.202 1.00 0.00 H new ATOM 0 HB2 SER A 71 -5.807 -14.416 6.886 1.00 0.00 H new ATOM 0 HB3 SER A 71 -6.065 -16.148 6.829 1.00 0.00 H new ATOM 0 HG SER A 71 -3.815 -15.600 6.966 1.00 0.00 H new ATOM 1082 N GLY A 72 -8.049 -16.888 5.119 1.00 0.00 N ATOM 1083 CA GLY A 72 -9.399 -17.402 5.251 1.00 0.00 C ATOM 1084 C GLY A 72 -9.950 -17.233 6.653 1.00 0.00 C ATOM 1085 O GLY A 72 -9.222 -16.925 7.596 1.00 0.00 O ATOM 0 H GLY A 72 -7.322 -17.602 5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -10.050 -16.889 4.544 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -9.410 -18.459 4.985 1.00 0.00 H new ATOM 1089 N PRO A 73 -11.267 -17.435 6.804 1.00 0.00 N ATOM 1090 CA PRO A 73 -11.945 -17.306 8.097 1.00 0.00 C ATOM 1091 C PRO A 73 -11.564 -18.422 9.064 1.00 0.00 C ATOM 1092 O PRO A 73 -12.074 -19.539 8.970 1.00 0.00 O ATOM 1093 CB PRO A 73 -13.429 -17.399 7.732 1.00 0.00 C ATOM 1094 CG PRO A 73 -13.457 -18.171 6.457 1.00 0.00 C ATOM 1095 CD PRO A 73 -12.198 -17.803 5.723 1.00 0.00 C ATOM 0 HA PRO A 73 -11.675 -16.382 8.608 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -13.998 -17.903 8.513 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -13.869 -16.410 7.606 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -13.497 -19.243 6.651 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -14.339 -17.920 5.868 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -11.819 -18.637 5.133 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.362 -16.974 5.035 1.00 0.00 H new ATOM 1103 N SER A 74 -10.667 -18.113 9.994 1.00 0.00 N ATOM 1104 CA SER A 74 -10.216 -19.091 10.977 1.00 0.00 C ATOM 1105 C SER A 74 -11.402 -19.771 11.652 1.00 0.00 C ATOM 1106 O SER A 74 -11.485 -20.998 11.698 1.00 0.00 O ATOM 1107 CB SER A 74 -9.332 -18.417 12.029 1.00 0.00 C ATOM 1108 OG SER A 74 -10.041 -17.397 12.713 1.00 0.00 O ATOM 0 H SER A 74 -10.238 -17.192 10.088 1.00 0.00 H new ATOM 0 HA SER A 74 -9.634 -19.851 10.456 1.00 0.00 H new ATOM 0 HB2 SER A 74 -8.980 -19.161 12.743 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.450 -17.992 11.550 1.00 0.00 H new ATOM 0 HG SER A 74 -9.455 -16.983 13.381 1.00 0.00 H new ATOM 1114 N SER A 75 -12.319 -18.963 12.174 1.00 0.00 N ATOM 1115 CA SER A 75 -13.502 -19.485 12.851 1.00 0.00 C ATOM 1116 C SER A 75 -14.772 -19.094 12.103 1.00 0.00 C ATOM 1117 O SER A 75 -15.052 -17.913 11.906 1.00 0.00 O ATOM 1118 CB SER A 75 -13.562 -18.968 14.290 1.00 0.00 C ATOM 1119 OG SER A 75 -14.599 -19.604 15.016 1.00 0.00 O ATOM 0 H SER A 75 -12.266 -17.945 12.142 1.00 0.00 H new ATOM 0 HA SER A 75 -13.432 -20.573 12.867 1.00 0.00 H new ATOM 0 HB2 SER A 75 -12.606 -19.145 14.784 1.00 0.00 H new ATOM 0 HB3 SER A 75 -13.724 -17.890 14.286 1.00 0.00 H new ATOM 0 HG SER A 75 -14.616 -19.258 15.933 1.00 0.00 H new ATOM 1125 N GLY A 76 -15.540 -20.098 11.689 1.00 0.00 N ATOM 1126 CA GLY A 76 -16.772 -19.839 10.967 1.00 0.00 C ATOM 1127 C GLY A 76 -16.528 -19.430 9.528 1.00 0.00 C ATOM 1128 O GLY A 76 -15.414 -19.561 9.020 1.00 0.00 O ATOM 0 H GLY A 76 -15.331 -21.085 11.841 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -17.395 -20.733 10.986 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -17.328 -19.052 11.476 1.00 0.00 H new TER 1132 GLY A 76