USER MOD reduce.3.24.130724 H: found=0, std=0, add=702, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 SER OG : rot 180:sc= -0.393 USER MOD Set 1.2: A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.102 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0171 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 37:sc= 0.168 USER MOD Single : A 15 GLN : amide:sc=-0.00896 X(o=-0.009,f=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS : no HD1:sc= -2.19! K(o=-2.2!,f=-0.98) USER MOD Single : A 28 HIS : no HD1:sc= -6.5! C(o=-6.5!,f=-5.8!) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -116:sc= -0.0138 (180deg=-0.621) USER MOD Single : A 43 MET CE :methyl 175:sc= 0 (180deg=-0.0397) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.0406 X(o=-0.041,f=-0.041) USER MOD Single : A 62 CYS SG : rot 180:sc= -1.24 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 ASN : amide:sc= -0.0147 K(o=-0.015,f=-0.65) USER MOD Single : A 78 HIS : no HE2:sc= -2.15 X(o=-2.2,f=-2.3) USER MOD Single : A 81 ASN : amide:sc= -1.19! C(o=-1.2!,f=-2.2!) USER MOD Single : A 86 TYR OH : rot -110:sc= 0.00955 USER MOD Single : A 90 SER OG : rot 180:sc= -0.0355 USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -28.580 17.513 -6.028 1.00 0.00 N ATOM 2 CA GLY A 1 -27.658 16.506 -5.537 1.00 0.00 C ATOM 3 C GLY A 1 -27.651 15.258 -6.397 1.00 0.00 C ATOM 4 O GLY A 1 -28.324 15.201 -7.426 1.00 0.00 O ATOM 0 H1 GLY A 1 -28.054 18.377 -6.270 1.00 0.00 H new ATOM 0 H2 GLY A 1 -29.066 17.155 -6.875 1.00 0.00 H new ATOM 0 H3 GLY A 1 -29.282 17.730 -5.292 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -26.652 16.925 -5.502 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -27.928 16.238 -4.515 1.00 0.00 H new ATOM 8 N SER A 2 -26.887 14.255 -5.976 1.00 0.00 N ATOM 9 CA SER A 2 -26.790 13.003 -6.719 1.00 0.00 C ATOM 10 C SER A 2 -27.433 11.859 -5.940 1.00 0.00 C ATOM 11 O SER A 2 -27.607 11.942 -4.724 1.00 0.00 O ATOM 12 CB SER A 2 -25.326 12.674 -7.016 1.00 0.00 C ATOM 13 OG SER A 2 -25.218 11.506 -7.811 1.00 0.00 O ATOM 0 H SER A 2 -26.326 14.285 -5.125 1.00 0.00 H new ATOM 0 HA SER A 2 -27.325 13.125 -7.661 1.00 0.00 H new ATOM 0 HB2 SER A 2 -24.859 13.513 -7.531 1.00 0.00 H new ATOM 0 HB3 SER A 2 -24.785 12.533 -6.081 1.00 0.00 H new ATOM 0 HG SER A 2 -24.273 11.317 -7.989 1.00 0.00 H new ATOM 19 N SER A 3 -27.784 10.792 -6.651 1.00 0.00 N ATOM 20 CA SER A 3 -28.411 9.632 -6.029 1.00 0.00 C ATOM 21 C SER A 3 -27.525 8.397 -6.166 1.00 0.00 C ATOM 22 O SER A 3 -26.856 8.209 -7.181 1.00 0.00 O ATOM 23 CB SER A 3 -29.779 9.365 -6.660 1.00 0.00 C ATOM 24 OG SER A 3 -30.632 10.488 -6.520 1.00 0.00 O ATOM 0 H SER A 3 -27.645 10.707 -7.658 1.00 0.00 H new ATOM 0 HA SER A 3 -28.544 9.847 -4.969 1.00 0.00 H new ATOM 0 HB2 SER A 3 -29.656 9.127 -7.717 1.00 0.00 H new ATOM 0 HB3 SER A 3 -30.237 8.495 -6.189 1.00 0.00 H new ATOM 0 HG SER A 3 -31.499 10.293 -6.933 1.00 0.00 H new ATOM 30 N GLY A 4 -27.528 7.556 -5.136 1.00 0.00 N ATOM 31 CA GLY A 4 -26.722 6.350 -5.161 1.00 0.00 C ATOM 32 C GLY A 4 -27.004 5.440 -3.982 1.00 0.00 C ATOM 33 O GLY A 4 -27.719 5.819 -3.054 1.00 0.00 O ATOM 0 H GLY A 4 -28.074 7.689 -4.285 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -26.912 5.809 -6.088 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -25.666 6.622 -5.162 1.00 0.00 H new ATOM 37 N SER A 5 -26.443 4.235 -4.018 1.00 0.00 N ATOM 38 CA SER A 5 -26.643 3.266 -2.947 1.00 0.00 C ATOM 39 C SER A 5 -25.370 3.098 -2.123 1.00 0.00 C ATOM 40 O SER A 5 -24.262 3.286 -2.625 1.00 0.00 O ATOM 41 CB SER A 5 -27.072 1.917 -3.525 1.00 0.00 C ATOM 42 OG SER A 5 -28.185 2.063 -4.389 1.00 0.00 O ATOM 0 H SER A 5 -25.846 3.907 -4.777 1.00 0.00 H new ATOM 0 HA SER A 5 -27.431 3.640 -2.294 1.00 0.00 H new ATOM 0 HB2 SER A 5 -26.240 1.471 -4.070 1.00 0.00 H new ATOM 0 HB3 SER A 5 -27.325 1.234 -2.714 1.00 0.00 H new ATOM 0 HG SER A 5 -28.439 1.187 -4.747 1.00 0.00 H new ATOM 48 N SER A 6 -25.538 2.743 -0.853 1.00 0.00 N ATOM 49 CA SER A 6 -24.404 2.553 0.044 1.00 0.00 C ATOM 50 C SER A 6 -24.356 1.118 0.562 1.00 0.00 C ATOM 51 O SER A 6 -25.329 0.615 1.121 1.00 0.00 O ATOM 52 CB SER A 6 -24.486 3.529 1.219 1.00 0.00 C ATOM 53 OG SER A 6 -25.728 3.413 1.892 1.00 0.00 O ATOM 0 H SER A 6 -26.448 2.581 -0.422 1.00 0.00 H new ATOM 0 HA SER A 6 -23.491 2.749 -0.518 1.00 0.00 H new ATOM 0 HB2 SER A 6 -23.671 3.333 1.916 1.00 0.00 H new ATOM 0 HB3 SER A 6 -24.358 4.549 0.858 1.00 0.00 H new ATOM 0 HG SER A 6 -26.001 2.472 1.915 1.00 0.00 H new ATOM 59 N GLY A 7 -23.213 0.465 0.371 1.00 0.00 N ATOM 60 CA GLY A 7 -23.058 -0.905 0.825 1.00 0.00 C ATOM 61 C GLY A 7 -21.604 -1.299 0.993 1.00 0.00 C ATOM 62 O GLY A 7 -21.126 -2.228 0.342 1.00 0.00 O ATOM 0 H GLY A 7 -22.393 0.860 -0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -23.577 -1.031 1.775 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -23.533 -1.577 0.111 1.00 0.00 H new ATOM 66 N ARG A 8 -20.898 -0.589 1.867 1.00 0.00 N ATOM 67 CA ARG A 8 -19.489 -0.868 2.117 1.00 0.00 C ATOM 68 C ARG A 8 -19.329 -1.991 3.138 1.00 0.00 C ATOM 69 O ARG A 8 -20.270 -2.327 3.857 1.00 0.00 O ATOM 70 CB ARG A 8 -18.778 0.392 2.613 1.00 0.00 C ATOM 71 CG ARG A 8 -18.192 1.241 1.496 1.00 0.00 C ATOM 72 CD ARG A 8 -16.927 0.616 0.927 1.00 0.00 C ATOM 73 NE ARG A 8 -17.223 -0.380 -0.099 1.00 0.00 N ATOM 74 CZ ARG A 8 -17.714 -0.079 -1.296 1.00 0.00 C ATOM 75 NH1 ARG A 8 -17.963 1.183 -1.615 1.00 0.00 N ATOM 76 NH2 ARG A 8 -17.957 -1.042 -2.176 1.00 0.00 N ATOM 0 H ARG A 8 -21.279 0.183 2.414 1.00 0.00 H new ATOM 0 HA ARG A 8 -19.036 -1.187 1.178 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -19.483 0.995 3.185 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -17.979 0.103 3.296 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -18.930 1.360 0.702 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -17.968 2.238 1.875 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -16.296 1.397 0.503 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -16.359 0.150 1.732 1.00 0.00 H new ATOM 0 HE ARG A 8 -17.043 -1.361 0.115 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -17.778 1.926 -0.941 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -18.340 1.412 -2.535 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -17.767 -2.014 -1.934 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -18.334 -0.810 -3.095 1.00 0.00 H new ATOM 90 N ILE A 9 -18.133 -2.566 3.195 1.00 0.00 N ATOM 91 CA ILE A 9 -17.850 -3.649 4.128 1.00 0.00 C ATOM 92 C ILE A 9 -16.349 -3.885 4.258 1.00 0.00 C ATOM 93 O ILE A 9 -15.550 -3.271 3.551 1.00 0.00 O ATOM 94 CB ILE A 9 -18.528 -4.961 3.689 1.00 0.00 C ATOM 95 CG1 ILE A 9 -18.422 -5.133 2.172 1.00 0.00 C ATOM 96 CG2 ILE A 9 -19.984 -4.977 4.129 1.00 0.00 C ATOM 97 CD1 ILE A 9 -18.718 -6.540 1.702 1.00 0.00 C ATOM 0 H ILE A 9 -17.344 -2.300 2.606 1.00 0.00 H new ATOM 0 HA ILE A 9 -18.253 -3.346 5.095 1.00 0.00 H new ATOM 0 HB ILE A 9 -18.015 -5.796 4.167 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -19.113 -4.444 1.687 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -17.418 -4.855 1.852 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -20.450 -5.910 3.812 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -20.037 -4.896 5.215 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -20.510 -4.137 3.676 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -18.624 -6.589 0.617 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -18.011 -7.232 2.159 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -19.733 -6.814 1.991 1.00 0.00 H new ATOM 109 N VAL A 10 -15.973 -4.780 5.166 1.00 0.00 N ATOM 110 CA VAL A 10 -14.568 -5.100 5.388 1.00 0.00 C ATOM 111 C VAL A 10 -14.229 -6.488 4.854 1.00 0.00 C ATOM 112 O VAL A 10 -13.157 -6.703 4.292 1.00 0.00 O ATOM 113 CB VAL A 10 -14.207 -5.035 6.884 1.00 0.00 C ATOM 114 CG1 VAL A 10 -12.707 -5.200 7.079 1.00 0.00 C ATOM 115 CG2 VAL A 10 -14.692 -3.728 7.492 1.00 0.00 C ATOM 0 H VAL A 10 -16.622 -5.296 5.760 1.00 0.00 H new ATOM 0 HA VAL A 10 -13.985 -4.354 4.848 1.00 0.00 H new ATOM 0 HB VAL A 10 -14.708 -5.856 7.397 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -12.471 -5.151 8.142 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -12.392 -6.165 6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -12.182 -4.402 6.554 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -14.429 -3.699 8.549 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -14.221 -2.890 6.977 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -15.774 -3.657 7.386 1.00 0.00 H new ATOM 125 N GLY A 11 -15.154 -7.427 5.034 1.00 0.00 N ATOM 126 CA GLY A 11 -14.935 -8.782 4.565 1.00 0.00 C ATOM 127 C GLY A 11 -14.365 -9.684 5.642 1.00 0.00 C ATOM 128 O GLY A 11 -14.292 -9.298 6.808 1.00 0.00 O ATOM 0 H GLY A 11 -16.050 -7.273 5.496 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -15.878 -9.197 4.210 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.254 -8.763 3.714 1.00 0.00 H new ATOM 132 N GLU A 12 -13.961 -10.889 5.251 1.00 0.00 N ATOM 133 CA GLU A 12 -13.397 -11.848 6.193 1.00 0.00 C ATOM 134 C GLU A 12 -11.895 -12.005 5.976 1.00 0.00 C ATOM 135 O GLU A 12 -11.424 -12.074 4.840 1.00 0.00 O ATOM 136 CB GLU A 12 -14.090 -13.205 6.049 1.00 0.00 C ATOM 137 CG GLU A 12 -15.421 -13.289 6.777 1.00 0.00 C ATOM 138 CD GLU A 12 -16.020 -14.682 6.737 1.00 0.00 C ATOM 139 OE1 GLU A 12 -15.874 -15.362 5.700 1.00 0.00 O ATOM 140 OE2 GLU A 12 -16.636 -15.091 7.744 1.00 0.00 O ATOM 0 H GLU A 12 -14.014 -11.224 4.289 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.562 -11.469 7.201 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -14.251 -13.411 4.991 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -13.428 -13.984 6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -15.283 -12.986 7.815 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -16.121 -12.583 6.330 1.00 0.00 H new ATOM 147 N LEU A 13 -11.148 -12.062 7.073 1.00 0.00 N ATOM 148 CA LEU A 13 -9.698 -12.211 7.004 1.00 0.00 C ATOM 149 C LEU A 13 -9.305 -13.214 5.925 1.00 0.00 C ATOM 150 O LEU A 13 -8.498 -12.910 5.047 1.00 0.00 O ATOM 151 CB LEU A 13 -9.147 -12.660 8.359 1.00 0.00 C ATOM 152 CG LEU A 13 -9.101 -11.592 9.452 1.00 0.00 C ATOM 153 CD1 LEU A 13 -8.806 -12.223 10.804 1.00 0.00 C ATOM 154 CD2 LEU A 13 -8.061 -10.532 9.118 1.00 0.00 C ATOM 0 H LEU A 13 -11.522 -12.007 8.020 1.00 0.00 H new ATOM 0 HA LEU A 13 -9.269 -11.242 6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -9.753 -13.492 8.717 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -8.137 -13.042 8.210 1.00 0.00 H new ATOM 0 HG LEU A 13 -10.078 -11.111 9.504 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.777 -11.447 11.569 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -9.587 -12.944 11.047 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -7.842 -12.731 10.766 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.042 -9.780 9.907 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -7.079 -10.998 9.037 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -8.316 -10.058 8.170 1.00 0.00 H new ATOM 166 N GLU A 14 -9.881 -14.410 5.996 1.00 0.00 N ATOM 167 CA GLU A 14 -9.591 -15.456 5.023 1.00 0.00 C ATOM 168 C GLU A 14 -9.954 -15.004 3.612 1.00 0.00 C ATOM 169 O GLU A 14 -9.214 -15.251 2.661 1.00 0.00 O ATOM 170 CB GLU A 14 -10.355 -16.735 5.373 1.00 0.00 C ATOM 171 CG GLU A 14 -9.803 -17.461 6.589 1.00 0.00 C ATOM 172 CD GLU A 14 -10.621 -18.683 6.960 1.00 0.00 C ATOM 173 OE1 GLU A 14 -11.601 -18.534 7.718 1.00 0.00 O ATOM 174 OE2 GLU A 14 -10.280 -19.789 6.490 1.00 0.00 O ATOM 0 H GLU A 14 -10.551 -14.678 6.717 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.521 -15.660 5.056 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -11.401 -16.486 5.553 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -10.331 -17.409 4.516 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -8.775 -17.763 6.391 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -9.777 -16.775 7.436 1.00 0.00 H new ATOM 181 N GLN A 15 -11.099 -14.340 3.486 1.00 0.00 N ATOM 182 CA GLN A 15 -11.561 -13.854 2.191 1.00 0.00 C ATOM 183 C GLN A 15 -10.543 -12.903 1.572 1.00 0.00 C ATOM 184 O GLN A 15 -10.391 -12.850 0.352 1.00 0.00 O ATOM 185 CB GLN A 15 -12.911 -13.150 2.340 1.00 0.00 C ATOM 186 CG GLN A 15 -14.073 -14.103 2.569 1.00 0.00 C ATOM 187 CD GLN A 15 -14.601 -14.700 1.279 1.00 0.00 C ATOM 188 OE1 GLN A 15 -14.463 -15.899 1.034 1.00 0.00 O ATOM 189 NE2 GLN A 15 -15.210 -13.864 0.446 1.00 0.00 N ATOM 0 H GLN A 15 -11.723 -14.127 4.264 1.00 0.00 H new ATOM 0 HA GLN A 15 -11.678 -14.712 1.529 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -12.856 -12.450 3.174 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -13.106 -12.562 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -13.754 -14.906 3.233 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.879 -13.572 3.076 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -15.302 -12.878 0.690 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -15.586 -14.208 -0.438 1.00 0.00 H new ATOM 198 N MET A 16 -9.849 -12.152 2.421 1.00 0.00 N ATOM 199 CA MET A 16 -8.844 -11.203 1.956 1.00 0.00 C ATOM 200 C MET A 16 -7.754 -11.912 1.159 1.00 0.00 C ATOM 201 O MET A 16 -7.506 -13.103 1.350 1.00 0.00 O ATOM 202 CB MET A 16 -8.225 -10.462 3.142 1.00 0.00 C ATOM 203 CG MET A 16 -9.248 -9.771 4.029 1.00 0.00 C ATOM 204 SD MET A 16 -8.485 -8.762 5.314 1.00 0.00 S ATOM 205 CE MET A 16 -9.900 -7.834 5.900 1.00 0.00 C ATOM 0 H MET A 16 -9.964 -12.182 3.434 1.00 0.00 H new ATOM 0 HA MET A 16 -9.336 -10.482 1.303 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.654 -11.169 3.743 1.00 0.00 H new ATOM 0 HB3 MET A 16 -7.520 -9.719 2.768 1.00 0.00 H new ATOM 0 HG2 MET A 16 -9.891 -9.143 3.413 1.00 0.00 H new ATOM 0 HG3 MET A 16 -9.887 -10.522 4.494 1.00 0.00 H new ATOM 0 HE1 MET A 16 -9.589 -7.162 6.700 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.318 -7.251 5.079 1.00 0.00 H new ATOM 0 HE3 MET A 16 -10.656 -8.523 6.278 1.00 0.00 H new ATOM 215 N VAL A 17 -7.105 -11.173 0.265 1.00 0.00 N ATOM 216 CA VAL A 17 -6.041 -11.731 -0.561 1.00 0.00 C ATOM 217 C VAL A 17 -4.750 -10.936 -0.405 1.00 0.00 C ATOM 218 O VAL A 17 -4.769 -9.706 -0.345 1.00 0.00 O ATOM 219 CB VAL A 17 -6.439 -11.756 -2.049 1.00 0.00 C ATOM 220 CG1 VAL A 17 -7.568 -12.747 -2.283 1.00 0.00 C ATOM 221 CG2 VAL A 17 -6.835 -10.364 -2.517 1.00 0.00 C ATOM 0 H VAL A 17 -7.298 -10.186 0.094 1.00 0.00 H new ATOM 0 HA VAL A 17 -5.879 -12.753 -0.219 1.00 0.00 H new ATOM 0 HB VAL A 17 -5.577 -12.080 -2.633 1.00 0.00 H new ATOM 0 HG11 VAL A 17 -7.836 -12.751 -3.340 1.00 0.00 H new ATOM 0 HG12 VAL A 17 -7.244 -13.745 -1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 17 -8.435 -12.457 -1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 17 -7.113 -10.400 -3.570 1.00 0.00 H new ATOM 0 HG22 VAL A 17 -7.682 -10.010 -1.930 1.00 0.00 H new ATOM 0 HG23 VAL A 17 -5.994 -9.683 -2.387 1.00 0.00 H new ATOM 231 N SER A 18 -3.628 -11.646 -0.339 1.00 0.00 N ATOM 232 CA SER A 18 -2.327 -11.006 -0.186 1.00 0.00 C ATOM 233 C SER A 18 -1.635 -10.851 -1.537 1.00 0.00 C ATOM 234 O SER A 18 -1.202 -11.833 -2.140 1.00 0.00 O ATOM 235 CB SER A 18 -1.443 -11.820 0.761 1.00 0.00 C ATOM 236 OG SER A 18 -1.826 -11.623 2.111 1.00 0.00 O ATOM 0 H SER A 18 -3.594 -12.664 -0.389 1.00 0.00 H new ATOM 0 HA SER A 18 -2.486 -10.014 0.238 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.514 -12.878 0.510 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.400 -11.530 0.629 1.00 0.00 H new ATOM 0 HG SER A 18 -1.247 -12.155 2.696 1.00 0.00 H new ATOM 242 N GLU A 19 -1.537 -9.611 -2.006 1.00 0.00 N ATOM 243 CA GLU A 19 -0.899 -9.327 -3.286 1.00 0.00 C ATOM 244 C GLU A 19 0.477 -8.700 -3.081 1.00 0.00 C ATOM 245 O GLU A 19 0.792 -8.208 -1.998 1.00 0.00 O ATOM 246 CB GLU A 19 -1.777 -8.395 -4.123 1.00 0.00 C ATOM 247 CG GLU A 19 -2.836 -9.121 -4.935 1.00 0.00 C ATOM 248 CD GLU A 19 -3.782 -8.171 -5.643 1.00 0.00 C ATOM 249 OE1 GLU A 19 -3.309 -7.377 -6.482 1.00 0.00 O ATOM 250 OE2 GLU A 19 -4.997 -8.222 -5.357 1.00 0.00 O ATOM 0 H GLU A 19 -1.891 -8.788 -1.519 1.00 0.00 H new ATOM 0 HA GLU A 19 -0.774 -10.270 -3.817 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.266 -7.679 -3.462 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -1.142 -7.822 -4.799 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -2.349 -9.759 -5.672 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -3.409 -9.774 -4.277 1.00 0.00 H new ATOM 257 N ASP A 20 1.293 -8.724 -4.130 1.00 0.00 N ATOM 258 CA ASP A 20 2.635 -8.158 -4.067 1.00 0.00 C ATOM 259 C ASP A 20 2.779 -6.990 -5.037 1.00 0.00 C ATOM 260 O ASP A 20 2.719 -7.169 -6.254 1.00 0.00 O ATOM 261 CB ASP A 20 3.679 -9.230 -4.381 1.00 0.00 C ATOM 262 CG ASP A 20 3.615 -9.696 -5.823 1.00 0.00 C ATOM 263 OD1 ASP A 20 2.657 -10.417 -6.171 1.00 0.00 O ATOM 264 OD2 ASP A 20 4.523 -9.339 -6.603 1.00 0.00 O ATOM 0 H ASP A 20 1.048 -9.129 -5.033 1.00 0.00 H new ATOM 0 HA ASP A 20 2.799 -7.788 -3.055 1.00 0.00 H new ATOM 0 HB2 ASP A 20 4.674 -8.836 -4.173 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.530 -10.083 -3.719 1.00 0.00 H new ATOM 269 N VAL A 21 2.968 -5.793 -4.492 1.00 0.00 N ATOM 270 CA VAL A 21 3.120 -4.595 -5.309 1.00 0.00 C ATOM 271 C VAL A 21 4.572 -4.131 -5.338 1.00 0.00 C ATOM 272 O VAL A 21 5.181 -3.851 -4.306 1.00 0.00 O ATOM 273 CB VAL A 21 2.235 -3.446 -4.791 1.00 0.00 C ATOM 274 CG1 VAL A 21 1.925 -2.464 -5.911 1.00 0.00 C ATOM 275 CG2 VAL A 21 0.954 -3.994 -4.182 1.00 0.00 C ATOM 0 H VAL A 21 3.020 -5.627 -3.487 1.00 0.00 H new ATOM 0 HA VAL A 21 2.805 -4.858 -6.319 1.00 0.00 H new ATOM 0 HB VAL A 21 2.781 -2.912 -4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.299 -1.659 -5.526 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.855 -2.047 -6.297 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.399 -2.981 -6.713 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.341 -3.168 -3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 21 0.402 -4.553 -4.938 1.00 0.00 H new ATOM 0 HG23 VAL A 21 1.200 -4.654 -3.350 1.00 0.00 H new ATOM 285 N PRO A 22 5.141 -4.045 -6.550 1.00 0.00 N ATOM 286 CA PRO A 22 6.529 -3.613 -6.743 1.00 0.00 C ATOM 287 C PRO A 22 6.722 -2.131 -6.440 1.00 0.00 C ATOM 288 O PRO A 22 6.431 -1.273 -7.274 1.00 0.00 O ATOM 289 CB PRO A 22 6.783 -3.893 -8.227 1.00 0.00 C ATOM 290 CG PRO A 22 5.435 -3.845 -8.858 1.00 0.00 C ATOM 291 CD PRO A 22 4.475 -4.363 -7.824 1.00 0.00 C ATOM 0 HA PRO A 22 7.215 -4.132 -6.073 1.00 0.00 H new ATOM 0 HB2 PRO A 22 7.450 -3.149 -8.662 1.00 0.00 H new ATOM 0 HB3 PRO A 22 7.253 -4.866 -8.371 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.179 -2.828 -9.154 1.00 0.00 H new ATOM 0 HG3 PRO A 22 5.404 -4.456 -9.760 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.502 -3.878 -7.901 1.00 0.00 H new ATOM 0 HD3 PRO A 22 4.307 -5.434 -7.933 1.00 0.00 H new ATOM 299 N LEU A 23 7.216 -1.838 -5.242 1.00 0.00 N ATOM 300 CA LEU A 23 7.449 -0.458 -4.828 1.00 0.00 C ATOM 301 C LEU A 23 8.932 -0.211 -4.568 1.00 0.00 C ATOM 302 O LEU A 23 9.555 -0.902 -3.762 1.00 0.00 O ATOM 303 CB LEU A 23 6.640 -0.138 -3.570 1.00 0.00 C ATOM 304 CG LEU A 23 6.444 1.346 -3.258 1.00 0.00 C ATOM 305 CD1 LEU A 23 5.461 1.972 -4.235 1.00 0.00 C ATOM 306 CD2 LEU A 23 5.965 1.530 -1.825 1.00 0.00 C ATOM 0 H LEU A 23 7.463 -2.536 -4.541 1.00 0.00 H new ATOM 0 HA LEU A 23 7.126 0.197 -5.637 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.658 -0.601 -3.666 1.00 0.00 H new ATOM 0 HB3 LEU A 23 7.131 -0.606 -2.717 1.00 0.00 H new ATOM 0 HG LEU A 23 7.404 1.851 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU A 23 5.334 3.028 -3.997 1.00 0.00 H new ATOM 0 HD12 LEU A 23 5.844 1.872 -5.251 1.00 0.00 H new ATOM 0 HD13 LEU A 23 4.499 1.465 -4.158 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.831 2.592 -1.620 1.00 0.00 H new ATOM 0 HD22 LEU A 23 5.016 1.011 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.705 1.119 -1.138 1.00 0.00 H new ATOM 318 N ASP A 24 9.490 0.779 -5.255 1.00 0.00 N ATOM 319 CA ASP A 24 10.899 1.120 -5.097 1.00 0.00 C ATOM 320 C ASP A 24 11.230 1.399 -3.633 1.00 0.00 C ATOM 321 O ASP A 24 10.371 1.832 -2.864 1.00 0.00 O ATOM 322 CB ASP A 24 11.251 2.338 -5.953 1.00 0.00 C ATOM 323 CG ASP A 24 12.741 2.460 -6.202 1.00 0.00 C ATOM 324 OD1 ASP A 24 13.508 1.662 -5.621 1.00 0.00 O ATOM 325 OD2 ASP A 24 13.142 3.352 -6.978 1.00 0.00 O ATOM 0 H ASP A 24 8.988 1.360 -5.927 1.00 0.00 H new ATOM 0 HA ASP A 24 11.493 0.268 -5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 24 10.730 2.270 -6.908 1.00 0.00 H new ATOM 0 HB3 ASP A 24 10.893 3.241 -5.459 1.00 0.00 H new ATOM 330 N HIS A 25 12.479 1.147 -3.256 1.00 0.00 N ATOM 331 CA HIS A 25 12.923 1.370 -1.884 1.00 0.00 C ATOM 332 C HIS A 25 13.190 2.851 -1.634 1.00 0.00 C ATOM 333 O HIS A 25 13.333 3.282 -0.490 1.00 0.00 O ATOM 334 CB HIS A 25 14.184 0.556 -1.595 1.00 0.00 C ATOM 335 CG HIS A 25 14.790 0.845 -0.256 1.00 0.00 C ATOM 336 ND1 HIS A 25 16.142 0.746 -0.004 1.00 0.00 N ATOM 337 CD2 HIS A 25 14.219 1.234 0.908 1.00 0.00 C ATOM 338 CE1 HIS A 25 16.377 1.060 1.257 1.00 0.00 C ATOM 339 NE2 HIS A 25 15.226 1.360 1.833 1.00 0.00 N ATOM 0 H HIS A 25 13.202 0.789 -3.880 1.00 0.00 H new ATOM 0 HA HIS A 25 12.128 1.044 -1.213 1.00 0.00 H new ATOM 0 HB2 HIS A 25 13.943 -0.505 -1.654 1.00 0.00 H new ATOM 0 HB3 HIS A 25 14.923 0.759 -2.370 1.00 0.00 H new ATOM 0 HD2 HIS A 25 13.167 1.412 1.078 1.00 0.00 H new ATOM 0 HE1 HIS A 25 17.345 1.070 1.736 1.00 0.00 H new ATOM 0 HE2 HIS A 25 15.105 1.640 2.806 1.00 0.00 H new ATOM 347 N ARG A 26 13.258 3.626 -2.712 1.00 0.00 N ATOM 348 CA ARG A 26 13.510 5.058 -2.609 1.00 0.00 C ATOM 349 C ARG A 26 12.239 5.808 -2.220 1.00 0.00 C ATOM 350 O ARG A 26 12.297 6.868 -1.597 1.00 0.00 O ATOM 351 CB ARG A 26 14.048 5.599 -3.935 1.00 0.00 C ATOM 352 CG ARG A 26 15.409 5.038 -4.315 1.00 0.00 C ATOM 353 CD ARG A 26 16.003 5.776 -5.504 1.00 0.00 C ATOM 354 NE ARG A 26 15.575 5.199 -6.776 1.00 0.00 N ATOM 355 CZ ARG A 26 15.871 3.962 -7.158 1.00 0.00 C ATOM 356 NH1 ARG A 26 16.592 3.176 -6.371 1.00 0.00 N ATOM 357 NH2 ARG A 26 15.444 3.509 -8.330 1.00 0.00 N ATOM 0 H ARG A 26 13.142 3.286 -3.667 1.00 0.00 H new ATOM 0 HA ARG A 26 14.256 5.215 -1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 26 13.336 5.369 -4.727 1.00 0.00 H new ATOM 0 HB3 ARG A 26 14.117 6.685 -3.873 1.00 0.00 H new ATOM 0 HG2 ARG A 26 16.085 5.113 -3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 26 15.314 3.979 -4.554 1.00 0.00 H new ATOM 0 HD2 ARG A 26 15.708 6.825 -5.464 1.00 0.00 H new ATOM 0 HD3 ARG A 26 17.091 5.748 -5.441 1.00 0.00 H new ATOM 0 HE ARG A 26 15.018 5.778 -7.405 1.00 0.00 H new ATOM 0 HH11 ARG A 26 16.921 3.521 -5.469 1.00 0.00 H new ATOM 0 HH12 ARG A 26 16.818 2.226 -6.667 1.00 0.00 H new ATOM 0 HH21 ARG A 26 14.888 4.111 -8.938 1.00 0.00 H new ATOM 0 HH22 ARG A 26 15.672 2.559 -8.623 1.00 0.00 H new ATOM 371 N VAL A 27 11.092 5.249 -2.592 1.00 0.00 N ATOM 372 CA VAL A 27 9.806 5.864 -2.282 1.00 0.00 C ATOM 373 C VAL A 27 9.142 5.179 -1.093 1.00 0.00 C ATOM 374 O VAL A 27 8.138 5.660 -0.566 1.00 0.00 O ATOM 375 CB VAL A 27 8.852 5.810 -3.490 1.00 0.00 C ATOM 376 CG1 VAL A 27 9.516 6.406 -4.722 1.00 0.00 C ATOM 377 CG2 VAL A 27 8.406 4.380 -3.753 1.00 0.00 C ATOM 0 H VAL A 27 11.027 4.372 -3.108 1.00 0.00 H new ATOM 0 HA VAL A 27 10.005 6.906 -2.033 1.00 0.00 H new ATOM 0 HB VAL A 27 7.968 6.405 -3.260 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.827 6.359 -5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 27 9.780 7.445 -4.526 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.418 5.841 -4.958 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.733 4.361 -4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.278 3.760 -3.962 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.888 3.993 -2.875 1.00 0.00 H new ATOM 387 N HIS A 28 9.710 4.053 -0.673 1.00 0.00 N ATOM 388 CA HIS A 28 9.174 3.301 0.456 1.00 0.00 C ATOM 389 C HIS A 28 8.890 4.223 1.638 1.00 0.00 C ATOM 390 O HIS A 28 7.735 4.487 1.968 1.00 0.00 O ATOM 391 CB HIS A 28 10.151 2.202 0.875 1.00 0.00 C ATOM 392 CG HIS A 28 9.929 0.901 0.167 1.00 0.00 C ATOM 393 ND1 HIS A 28 10.531 -0.278 0.553 1.00 0.00 N ATOM 394 CD2 HIS A 28 9.164 0.597 -0.908 1.00 0.00 C ATOM 395 CE1 HIS A 28 10.147 -1.251 -0.255 1.00 0.00 C ATOM 396 NE2 HIS A 28 9.317 -0.746 -1.150 1.00 0.00 N ATOM 0 H HIS A 28 10.541 3.641 -1.097 1.00 0.00 H new ATOM 0 HA HIS A 28 8.236 2.842 0.142 1.00 0.00 H new ATOM 0 HB2 HIS A 28 11.169 2.541 0.684 1.00 0.00 H new ATOM 0 HB3 HIS A 28 10.065 2.041 1.950 1.00 0.00 H new ATOM 0 HD2 HIS A 28 8.548 1.283 -1.470 1.00 0.00 H new ATOM 0 HE1 HIS A 28 10.459 -2.283 -0.194 1.00 0.00 H new ATOM 0 HE2 HIS A 28 8.863 -1.269 -1.899 1.00 0.00 H new ATOM 404 N ALA A 29 9.953 4.710 2.270 1.00 0.00 N ATOM 405 CA ALA A 29 9.818 5.604 3.414 1.00 0.00 C ATOM 406 C ALA A 29 8.938 6.802 3.074 1.00 0.00 C ATOM 407 O ALA A 29 8.143 7.254 3.898 1.00 0.00 O ATOM 408 CB ALA A 29 11.188 6.069 3.884 1.00 0.00 C ATOM 0 H ALA A 29 10.917 4.501 2.009 1.00 0.00 H new ATOM 0 HA ALA A 29 9.337 5.051 4.221 1.00 0.00 H new ATOM 0 HB1 ALA A 29 11.073 6.736 4.738 1.00 0.00 H new ATOM 0 HB2 ALA A 29 11.785 5.205 4.176 1.00 0.00 H new ATOM 0 HB3 ALA A 29 11.689 6.600 3.075 1.00 0.00 H new ATOM 414 N ARG A 30 9.086 7.312 1.855 1.00 0.00 N ATOM 415 CA ARG A 30 8.306 8.459 1.407 1.00 0.00 C ATOM 416 C ARG A 30 6.813 8.210 1.601 1.00 0.00 C ATOM 417 O ARG A 30 6.063 9.120 1.955 1.00 0.00 O ATOM 418 CB ARG A 30 8.598 8.758 -0.064 1.00 0.00 C ATOM 419 CG ARG A 30 9.787 9.681 -0.274 1.00 0.00 C ATOM 420 CD ARG A 30 10.906 9.380 0.711 1.00 0.00 C ATOM 421 NE ARG A 30 12.181 9.950 0.282 1.00 0.00 N ATOM 422 CZ ARG A 30 13.362 9.510 0.702 1.00 0.00 C ATOM 423 NH1 ARG A 30 13.430 8.499 1.557 1.00 0.00 N ATOM 424 NH2 ARG A 30 14.477 10.081 0.267 1.00 0.00 N ATOM 0 H ARG A 30 9.739 6.949 1.161 1.00 0.00 H new ATOM 0 HA ARG A 30 8.594 9.321 2.009 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.781 7.819 -0.587 1.00 0.00 H new ATOM 0 HB3 ARG A 30 7.715 9.209 -0.517 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.158 9.572 -1.293 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.469 10.717 -0.160 1.00 0.00 H new ATOM 0 HD2 ARG A 30 10.643 9.777 1.691 1.00 0.00 H new ATOM 0 HD3 ARG A 30 11.011 8.301 0.822 1.00 0.00 H new ATOM 0 HE ARG A 30 12.163 10.729 -0.376 1.00 0.00 H new ATOM 0 HH11 ARG A 30 12.574 8.057 1.894 1.00 0.00 H new ATOM 0 HH12 ARG A 30 14.338 8.163 1.878 1.00 0.00 H new ATOM 0 HH21 ARG A 30 14.428 10.859 -0.391 1.00 0.00 H new ATOM 0 HH22 ARG A 30 15.383 9.742 0.590 1.00 0.00 H new ATOM 438 N ILE A 31 6.390 6.973 1.365 1.00 0.00 N ATOM 439 CA ILE A 31 4.987 6.605 1.513 1.00 0.00 C ATOM 440 C ILE A 31 4.670 6.219 2.954 1.00 0.00 C ATOM 441 O ILE A 31 3.690 6.691 3.531 1.00 0.00 O ATOM 442 CB ILE A 31 4.611 5.434 0.586 1.00 0.00 C ATOM 443 CG1 ILE A 31 4.610 5.892 -0.874 1.00 0.00 C ATOM 444 CG2 ILE A 31 3.252 4.869 0.971 1.00 0.00 C ATOM 445 CD1 ILE A 31 4.677 4.751 -1.865 1.00 0.00 C ATOM 0 H ILE A 31 6.998 6.209 1.071 1.00 0.00 H new ATOM 0 HA ILE A 31 4.400 7.480 1.235 1.00 0.00 H new ATOM 0 HB ILE A 31 5.355 4.646 0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 31 3.708 6.474 -1.063 1.00 0.00 H new ATOM 0 HG13 ILE A 31 5.459 6.556 -1.039 1.00 0.00 H new ATOM 0 HG21 ILE A 31 3.000 4.042 0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 31 3.285 4.511 2.000 1.00 0.00 H new ATOM 0 HG23 ILE A 31 2.495 5.649 0.883 1.00 0.00 H new ATOM 0 HD11 ILE A 31 4.673 5.150 -2.880 1.00 0.00 H new ATOM 0 HD12 ILE A 31 5.592 4.182 -1.703 1.00 0.00 H new ATOM 0 HD13 ILE A 31 3.815 4.099 -1.728 1.00 0.00 H new ATOM 457 N ILE A 32 5.505 5.361 3.529 1.00 0.00 N ATOM 458 CA ILE A 32 5.315 4.915 4.903 1.00 0.00 C ATOM 459 C ILE A 32 4.986 6.087 5.821 1.00 0.00 C ATOM 460 O ILE A 32 4.022 6.040 6.584 1.00 0.00 O ATOM 461 CB ILE A 32 6.566 4.193 5.439 1.00 0.00 C ATOM 462 CG1 ILE A 32 6.876 2.962 4.585 1.00 0.00 C ATOM 463 CG2 ILE A 32 6.366 3.798 6.895 1.00 0.00 C ATOM 464 CD1 ILE A 32 8.261 2.400 4.816 1.00 0.00 C ATOM 0 H ILE A 32 6.320 4.961 3.064 1.00 0.00 H new ATOM 0 HA ILE A 32 4.478 4.217 4.895 1.00 0.00 H new ATOM 0 HB ILE A 32 7.414 4.875 5.381 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.139 2.188 4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 32 6.770 3.224 3.532 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.258 3.289 7.260 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.188 4.692 7.493 1.00 0.00 H new ATOM 0 HG23 ILE A 32 5.508 3.130 6.976 1.00 0.00 H new ATOM 0 HD11 ILE A 32 8.411 1.529 4.178 1.00 0.00 H new ATOM 0 HD12 ILE A 32 9.006 3.159 4.577 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.365 2.106 5.861 1.00 0.00 H new ATOM 476 N GLY A 33 5.794 7.140 5.740 1.00 0.00 N ATOM 477 CA GLY A 33 5.571 8.312 6.568 1.00 0.00 C ATOM 478 C GLY A 33 6.526 8.381 7.743 1.00 0.00 C ATOM 479 O GLY A 33 7.318 7.465 7.963 1.00 0.00 O ATOM 0 H GLY A 33 6.599 7.203 5.116 1.00 0.00 H new ATOM 0 HA2 GLY A 33 5.683 9.210 5.960 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.545 8.303 6.937 1.00 0.00 H new ATOM 483 N ALA A 34 6.453 9.472 8.498 1.00 0.00 N ATOM 484 CA ALA A 34 7.318 9.658 9.657 1.00 0.00 C ATOM 485 C ALA A 34 6.984 8.656 10.757 1.00 0.00 C ATOM 486 O ALA A 34 7.835 7.870 11.174 1.00 0.00 O ATOM 487 CB ALA A 34 7.199 11.081 10.182 1.00 0.00 C ATOM 0 H ALA A 34 5.804 10.240 8.328 1.00 0.00 H new ATOM 0 HA ALA A 34 8.347 9.484 9.343 1.00 0.00 H new ATOM 0 HB1 ALA A 34 7.850 11.205 11.047 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.494 11.783 9.402 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.167 11.276 10.474 1.00 0.00 H new ATOM 493 N ARG A 35 5.740 8.691 11.225 1.00 0.00 N ATOM 494 CA ARG A 35 5.295 7.787 12.279 1.00 0.00 C ATOM 495 C ARG A 35 4.383 6.702 11.715 1.00 0.00 C ATOM 496 O ARG A 35 3.677 6.021 12.458 1.00 0.00 O ATOM 497 CB ARG A 35 4.562 8.567 13.372 1.00 0.00 C ATOM 498 CG ARG A 35 5.492 9.224 14.379 1.00 0.00 C ATOM 499 CD ARG A 35 4.760 10.254 15.224 1.00 0.00 C ATOM 500 NE ARG A 35 4.109 9.648 16.383 1.00 0.00 N ATOM 501 CZ ARG A 35 4.762 9.261 17.473 1.00 0.00 C ATOM 502 NH1 ARG A 35 6.076 9.416 17.553 1.00 0.00 N ATOM 503 NH2 ARG A 35 4.099 8.718 18.486 1.00 0.00 N ATOM 0 H ARG A 35 5.023 9.335 10.891 1.00 0.00 H new ATOM 0 HA ARG A 35 6.175 7.310 12.710 1.00 0.00 H new ATOM 0 HB2 ARG A 35 3.944 9.335 12.906 1.00 0.00 H new ATOM 0 HB3 ARG A 35 3.888 7.891 13.899 1.00 0.00 H new ATOM 0 HG2 ARG A 35 5.925 8.462 15.027 1.00 0.00 H new ATOM 0 HG3 ARG A 35 6.318 9.703 13.854 1.00 0.00 H new ATOM 0 HD2 ARG A 35 5.465 11.014 15.560 1.00 0.00 H new ATOM 0 HD3 ARG A 35 4.013 10.760 14.612 1.00 0.00 H new ATOM 0 HE ARG A 35 3.098 9.515 16.354 1.00 0.00 H new ATOM 0 HH11 ARG A 35 6.589 9.833 16.776 1.00 0.00 H new ATOM 0 HH12 ARG A 35 6.575 9.118 18.391 1.00 0.00 H new ATOM 0 HH21 ARG A 35 3.088 8.598 18.428 1.00 0.00 H new ATOM 0 HH22 ARG A 35 4.601 8.421 19.323 1.00 0.00 H new ATOM 517 N GLY A 36 4.402 6.547 10.394 1.00 0.00 N ATOM 518 CA GLY A 36 3.572 5.544 9.753 1.00 0.00 C ATOM 519 C GLY A 36 2.138 6.002 9.580 1.00 0.00 C ATOM 520 O GLY A 36 1.217 5.186 9.544 1.00 0.00 O ATOM 0 H GLY A 36 4.977 7.098 9.757 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.992 5.299 8.777 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.589 4.630 10.346 1.00 0.00 H new ATOM 524 N LYS A 37 1.946 7.313 9.473 1.00 0.00 N ATOM 525 CA LYS A 37 0.614 7.880 9.303 1.00 0.00 C ATOM 526 C LYS A 37 0.243 7.964 7.826 1.00 0.00 C ATOM 527 O LYS A 37 -0.848 7.556 7.426 1.00 0.00 O ATOM 528 CB LYS A 37 0.545 9.272 9.937 1.00 0.00 C ATOM 529 CG LYS A 37 0.218 9.249 11.420 1.00 0.00 C ATOM 530 CD LYS A 37 -1.282 9.213 11.660 1.00 0.00 C ATOM 531 CE LYS A 37 -1.909 10.586 11.472 1.00 0.00 C ATOM 532 NZ LYS A 37 -3.127 10.759 12.311 1.00 0.00 N ATOM 0 H LYS A 37 2.697 8.003 9.501 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.099 7.224 9.802 1.00 0.00 H new ATOM 0 HB2 LYS A 37 1.501 9.776 9.792 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -0.209 9.862 9.416 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.682 8.378 11.882 1.00 0.00 H new ATOM 0 HG3 LYS A 37 0.643 10.130 11.901 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -1.745 8.503 10.974 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.482 8.856 12.670 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -1.180 11.356 11.726 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -2.168 10.726 10.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -3.525 11.707 12.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -3.832 10.040 12.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -2.876 10.650 13.314 1.00 0.00 H new ATOM 546 N ALA A 38 1.157 8.494 7.020 1.00 0.00 N ATOM 547 CA ALA A 38 0.926 8.628 5.587 1.00 0.00 C ATOM 548 C ALA A 38 0.376 7.334 4.996 1.00 0.00 C ATOM 549 O ALA A 38 -0.532 7.356 4.165 1.00 0.00 O ATOM 550 CB ALA A 38 2.213 9.027 4.880 1.00 0.00 C ATOM 0 H ALA A 38 2.064 8.838 7.335 1.00 0.00 H new ATOM 0 HA ALA A 38 0.183 9.411 5.436 1.00 0.00 H new ATOM 0 HB1 ALA A 38 2.026 9.123 3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 38 2.564 9.981 5.274 1.00 0.00 H new ATOM 0 HB3 ALA A 38 2.972 8.263 5.048 1.00 0.00 H new ATOM 556 N ILE A 39 0.932 6.208 5.430 1.00 0.00 N ATOM 557 CA ILE A 39 0.497 4.904 4.944 1.00 0.00 C ATOM 558 C ILE A 39 -0.811 4.480 5.604 1.00 0.00 C ATOM 559 O ILE A 39 -1.595 3.728 5.025 1.00 0.00 O ATOM 560 CB ILE A 39 1.562 3.823 5.201 1.00 0.00 C ATOM 561 CG1 ILE A 39 1.133 2.494 4.576 1.00 0.00 C ATOM 562 CG2 ILE A 39 1.802 3.659 6.694 1.00 0.00 C ATOM 563 CD1 ILE A 39 1.218 2.480 3.066 1.00 0.00 C ATOM 0 H ILE A 39 1.685 6.172 6.117 1.00 0.00 H new ATOM 0 HA ILE A 39 0.344 5.003 3.869 1.00 0.00 H new ATOM 0 HB ILE A 39 2.496 4.137 4.735 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.759 1.696 4.974 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.108 2.275 4.876 1.00 0.00 H new ATOM 0 HG21 ILE A 39 2.558 2.891 6.859 1.00 0.00 H new ATOM 0 HG22 ILE A 39 2.148 4.604 7.113 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.873 3.364 7.182 1.00 0.00 H new ATOM 0 HD11 ILE A 39 0.899 1.507 2.693 1.00 0.00 H new ATOM 0 HD12 ILE A 39 0.570 3.256 2.658 1.00 0.00 H new ATOM 0 HD13 ILE A 39 2.247 2.667 2.758 1.00 0.00 H new ATOM 575 N ARG A 40 -1.041 4.970 6.818 1.00 0.00 N ATOM 576 CA ARG A 40 -2.254 4.643 7.557 1.00 0.00 C ATOM 577 C ARG A 40 -3.496 5.068 6.778 1.00 0.00 C ATOM 578 O ARG A 40 -4.396 4.264 6.536 1.00 0.00 O ATOM 579 CB ARG A 40 -2.241 5.322 8.927 1.00 0.00 C ATOM 580 CG ARG A 40 -3.385 4.893 9.831 1.00 0.00 C ATOM 581 CD ARG A 40 -3.055 3.608 10.575 1.00 0.00 C ATOM 582 NE ARG A 40 -4.082 3.264 11.555 1.00 0.00 N ATOM 583 CZ ARG A 40 -4.181 2.069 12.127 1.00 0.00 C ATOM 584 NH1 ARG A 40 -3.319 1.110 11.819 1.00 0.00 N ATOM 585 NH2 ARG A 40 -5.142 1.833 13.010 1.00 0.00 N ATOM 0 H ARG A 40 -0.403 5.595 7.310 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.285 3.562 7.696 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.295 5.102 9.423 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -2.285 6.402 8.788 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.600 5.685 10.548 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.286 4.749 9.235 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -2.948 2.792 9.860 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -2.095 3.717 11.079 1.00 0.00 H new ATOM 0 HE ARG A 40 -4.760 3.980 11.814 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -2.578 1.289 11.142 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -3.397 0.193 12.260 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -5.806 2.569 13.250 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -5.217 0.915 13.449 1.00 0.00 H new ATOM 599 N LYS A 41 -3.538 6.338 6.390 1.00 0.00 N ATOM 600 CA LYS A 41 -4.668 6.871 5.638 1.00 0.00 C ATOM 601 C LYS A 41 -4.907 6.062 4.367 1.00 0.00 C ATOM 602 O LYS A 41 -6.039 5.948 3.897 1.00 0.00 O ATOM 603 CB LYS A 41 -4.423 8.339 5.283 1.00 0.00 C ATOM 604 CG LYS A 41 -3.421 8.534 4.158 1.00 0.00 C ATOM 605 CD LYS A 41 -3.566 9.902 3.513 1.00 0.00 C ATOM 606 CE LYS A 41 -3.007 11.000 4.404 1.00 0.00 C ATOM 607 NZ LYS A 41 -4.037 11.532 5.340 1.00 0.00 N ATOM 0 H LYS A 41 -2.802 7.018 6.584 1.00 0.00 H new ATOM 0 HA LYS A 41 -5.556 6.798 6.265 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.370 8.798 4.999 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -4.068 8.864 6.170 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -2.409 8.420 4.547 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.563 7.759 3.405 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -3.047 9.910 2.554 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -4.618 10.099 3.308 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -2.164 10.611 4.975 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -2.625 11.812 3.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -4.220 12.532 5.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.917 10.988 5.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.694 11.447 6.318 1.00 0.00 H new ATOM 621 N ILE A 42 -3.835 5.502 3.818 1.00 0.00 N ATOM 622 CA ILE A 42 -3.929 4.702 2.603 1.00 0.00 C ATOM 623 C ILE A 42 -4.572 3.348 2.886 1.00 0.00 C ATOM 624 O ILE A 42 -5.383 2.859 2.100 1.00 0.00 O ATOM 625 CB ILE A 42 -2.544 4.477 1.968 1.00 0.00 C ATOM 626 CG1 ILE A 42 -1.946 5.809 1.511 1.00 0.00 C ATOM 627 CG2 ILE A 42 -2.649 3.509 0.799 1.00 0.00 C ATOM 628 CD1 ILE A 42 -0.526 5.692 1.005 1.00 0.00 C ATOM 0 H ILE A 42 -2.891 5.587 4.195 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.553 5.260 1.905 1.00 0.00 H new ATOM 0 HB ILE A 42 -1.883 4.042 2.717 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.571 6.227 0.722 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.970 6.513 2.343 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.662 3.360 0.360 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.038 2.554 1.152 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -3.322 3.919 0.046 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.167 6.674 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 42 0.112 5.304 1.799 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -0.498 5.013 0.153 1.00 0.00 H new ATOM 640 N MET A 43 -4.206 2.749 4.014 1.00 0.00 N ATOM 641 CA MET A 43 -4.750 1.453 4.402 1.00 0.00 C ATOM 642 C MET A 43 -6.241 1.558 4.705 1.00 0.00 C ATOM 643 O MET A 43 -7.054 0.837 4.126 1.00 0.00 O ATOM 644 CB MET A 43 -4.006 0.908 5.622 1.00 0.00 C ATOM 645 CG MET A 43 -2.707 0.200 5.276 1.00 0.00 C ATOM 646 SD MET A 43 -2.012 -0.700 6.676 1.00 0.00 S ATOM 647 CE MET A 43 -0.818 0.488 7.284 1.00 0.00 C ATOM 0 H MET A 43 -3.535 3.140 4.675 1.00 0.00 H new ATOM 0 HA MET A 43 -4.615 0.765 3.567 1.00 0.00 H new ATOM 0 HB2 MET A 43 -3.791 1.731 6.304 1.00 0.00 H new ATOM 0 HB3 MET A 43 -4.657 0.215 6.155 1.00 0.00 H new ATOM 0 HG2 MET A 43 -2.884 -0.494 4.454 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.981 0.933 4.924 1.00 0.00 H new ATOM 0 HE1 MET A 43 -0.368 0.113 8.203 1.00 0.00 H new ATOM 0 HE2 MET A 43 -0.041 0.639 6.535 1.00 0.00 H new ATOM 0 HE3 MET A 43 -1.318 1.436 7.485 1.00 0.00 H new ATOM 657 N ASP A 44 -6.593 2.458 5.616 1.00 0.00 N ATOM 658 CA ASP A 44 -7.987 2.658 5.996 1.00 0.00 C ATOM 659 C ASP A 44 -8.827 3.058 4.787 1.00 0.00 C ATOM 660 O ASP A 44 -9.989 2.669 4.672 1.00 0.00 O ATOM 661 CB ASP A 44 -8.093 3.728 7.083 1.00 0.00 C ATOM 662 CG ASP A 44 -7.792 3.181 8.465 1.00 0.00 C ATOM 663 OD1 ASP A 44 -8.565 2.326 8.947 1.00 0.00 O ATOM 664 OD2 ASP A 44 -6.783 3.607 9.064 1.00 0.00 O ATOM 0 H ASP A 44 -5.932 3.061 6.106 1.00 0.00 H new ATOM 0 HA ASP A 44 -8.371 1.716 6.387 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -7.401 4.540 6.858 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.097 4.153 7.074 1.00 0.00 H new ATOM 669 N GLU A 45 -8.232 3.837 3.890 1.00 0.00 N ATOM 670 CA GLU A 45 -8.927 4.291 2.692 1.00 0.00 C ATOM 671 C GLU A 45 -9.572 3.118 1.960 1.00 0.00 C ATOM 672 O GLU A 45 -10.772 3.128 1.683 1.00 0.00 O ATOM 673 CB GLU A 45 -7.958 5.018 1.757 1.00 0.00 C ATOM 674 CG GLU A 45 -8.584 5.438 0.438 1.00 0.00 C ATOM 675 CD GLU A 45 -9.289 6.777 0.526 1.00 0.00 C ATOM 676 OE1 GLU A 45 -8.906 7.592 1.392 1.00 0.00 O ATOM 677 OE2 GLU A 45 -10.223 7.010 -0.269 1.00 0.00 O ATOM 0 H GLU A 45 -7.270 4.167 3.970 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.712 4.982 2.999 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -7.572 5.902 2.264 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.106 4.369 1.555 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.809 5.489 -0.327 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -9.296 4.677 0.120 1.00 0.00 H new ATOM 684 N PHE A 46 -8.767 2.107 1.649 1.00 0.00 N ATOM 685 CA PHE A 46 -9.258 0.926 0.948 1.00 0.00 C ATOM 686 C PHE A 46 -9.429 -0.246 1.910 1.00 0.00 C ATOM 687 O PHE A 46 -9.745 -1.362 1.497 1.00 0.00 O ATOM 688 CB PHE A 46 -8.298 0.540 -0.179 1.00 0.00 C ATOM 689 CG PHE A 46 -7.880 1.702 -1.035 1.00 0.00 C ATOM 690 CD1 PHE A 46 -8.624 2.065 -2.146 1.00 0.00 C ATOM 691 CD2 PHE A 46 -6.743 2.432 -0.727 1.00 0.00 C ATOM 692 CE1 PHE A 46 -8.240 3.133 -2.935 1.00 0.00 C ATOM 693 CE2 PHE A 46 -6.354 3.501 -1.512 1.00 0.00 C ATOM 694 CZ PHE A 46 -7.105 3.853 -2.617 1.00 0.00 C ATOM 0 H PHE A 46 -7.772 2.082 1.871 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.231 1.167 0.520 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -7.410 0.079 0.253 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -8.773 -0.212 -0.809 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -9.514 1.507 -2.398 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.154 2.162 0.137 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.827 3.404 -3.800 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -5.465 4.060 -1.262 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.805 4.689 -3.231 1.00 0.00 H new ATOM 704 N LYS A 47 -9.215 0.016 3.195 1.00 0.00 N ATOM 705 CA LYS A 47 -9.345 -1.015 4.218 1.00 0.00 C ATOM 706 C LYS A 47 -8.421 -2.192 3.924 1.00 0.00 C ATOM 707 O LYS A 47 -8.827 -3.351 4.012 1.00 0.00 O ATOM 708 CB LYS A 47 -10.795 -1.500 4.301 1.00 0.00 C ATOM 709 CG LYS A 47 -11.798 -0.382 4.527 1.00 0.00 C ATOM 710 CD LYS A 47 -11.680 0.200 5.926 1.00 0.00 C ATOM 711 CE LYS A 47 -12.995 0.809 6.388 1.00 0.00 C ATOM 712 NZ LYS A 47 -13.100 2.248 6.020 1.00 0.00 N ATOM 0 H LYS A 47 -8.951 0.934 3.553 1.00 0.00 H new ATOM 0 HA LYS A 47 -9.058 -0.580 5.175 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -11.048 -2.023 3.379 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -10.881 -2.224 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -11.639 0.405 3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.808 -0.762 4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -11.375 -0.582 6.622 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -10.900 0.961 5.940 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.825 0.259 5.945 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -13.084 0.703 7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.010 2.626 6.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -12.323 2.777 6.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -13.041 2.347 4.986 1.00 0.00 H new ATOM 726 N VAL A 48 -7.174 -1.888 3.576 1.00 0.00 N ATOM 727 CA VAL A 48 -6.191 -2.921 3.272 1.00 0.00 C ATOM 728 C VAL A 48 -5.004 -2.848 4.226 1.00 0.00 C ATOM 729 O VAL A 48 -4.725 -1.798 4.806 1.00 0.00 O ATOM 730 CB VAL A 48 -5.681 -2.801 1.824 1.00 0.00 C ATOM 731 CG1 VAL A 48 -6.799 -3.099 0.837 1.00 0.00 C ATOM 732 CG2 VAL A 48 -5.096 -1.419 1.579 1.00 0.00 C ATOM 0 H VAL A 48 -6.821 -0.934 3.498 1.00 0.00 H new ATOM 0 HA VAL A 48 -6.692 -3.881 3.394 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.891 -3.537 1.673 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -6.419 -3.009 -0.181 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.167 -4.112 0.999 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -7.613 -2.390 0.984 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.740 -1.351 0.551 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.864 -0.664 1.748 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.264 -1.250 2.263 1.00 0.00 H new ATOM 742 N ASP A 49 -4.309 -3.969 4.384 1.00 0.00 N ATOM 743 CA ASP A 49 -3.150 -4.032 5.266 1.00 0.00 C ATOM 744 C ASP A 49 -1.860 -4.161 4.462 1.00 0.00 C ATOM 745 O ASP A 49 -1.509 -5.249 4.005 1.00 0.00 O ATOM 746 CB ASP A 49 -3.282 -5.209 6.234 1.00 0.00 C ATOM 747 CG ASP A 49 -4.254 -4.924 7.362 1.00 0.00 C ATOM 748 OD1 ASP A 49 -4.312 -3.762 7.816 1.00 0.00 O ATOM 749 OD2 ASP A 49 -4.956 -5.864 7.792 1.00 0.00 O ATOM 0 H ASP A 49 -4.528 -4.847 3.913 1.00 0.00 H new ATOM 0 HA ASP A 49 -3.109 -3.104 5.837 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -3.614 -6.091 5.686 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -2.303 -5.443 6.652 1.00 0.00 H new ATOM 754 N ILE A 50 -1.161 -3.044 4.291 1.00 0.00 N ATOM 755 CA ILE A 50 0.089 -3.034 3.541 1.00 0.00 C ATOM 756 C ILE A 50 1.264 -3.436 4.426 1.00 0.00 C ATOM 757 O ILE A 50 1.452 -2.888 5.512 1.00 0.00 O ATOM 758 CB ILE A 50 0.369 -1.646 2.934 1.00 0.00 C ATOM 759 CG1 ILE A 50 -0.796 -1.210 2.043 1.00 0.00 C ATOM 760 CG2 ILE A 50 1.669 -1.667 2.143 1.00 0.00 C ATOM 761 CD1 ILE A 50 -0.766 0.259 1.685 1.00 0.00 C ATOM 0 H ILE A 50 -1.439 -2.135 4.661 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.020 -3.759 2.735 1.00 0.00 H new ATOM 0 HB ILE A 50 0.471 -0.925 3.745 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.782 -1.799 1.126 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -1.734 -1.433 2.551 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.854 -0.679 1.720 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.492 -1.939 2.804 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.593 -2.398 1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -1.621 0.497 1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -0.811 0.856 2.596 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.156 0.484 1.149 1.00 0.00 H new ATOM 773 N ARG A 51 2.053 -4.395 3.953 1.00 0.00 N ATOM 774 CA ARG A 51 3.211 -4.870 4.700 1.00 0.00 C ATOM 775 C ARG A 51 4.497 -4.644 3.912 1.00 0.00 C ATOM 776 O ARG A 51 4.729 -5.284 2.885 1.00 0.00 O ATOM 777 CB ARG A 51 3.056 -6.356 5.030 1.00 0.00 C ATOM 778 CG ARG A 51 3.980 -6.833 6.140 1.00 0.00 C ATOM 779 CD ARG A 51 3.366 -6.606 7.512 1.00 0.00 C ATOM 780 NE ARG A 51 4.238 -7.074 8.586 1.00 0.00 N ATOM 781 CZ ARG A 51 4.071 -6.747 9.863 1.00 0.00 C ATOM 782 NH1 ARG A 51 3.070 -5.956 10.223 1.00 0.00 N ATOM 783 NH2 ARG A 51 4.907 -7.213 10.783 1.00 0.00 N ATOM 0 H ARG A 51 1.911 -4.858 3.055 1.00 0.00 H new ATOM 0 HA ARG A 51 3.271 -4.302 5.629 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.023 -6.549 5.320 1.00 0.00 H new ATOM 0 HB3 ARG A 51 3.249 -6.941 4.131 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.193 -7.894 6.007 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.932 -6.306 6.074 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.163 -5.544 7.647 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.409 -7.124 7.571 1.00 0.00 H new ATOM 0 HE ARG A 51 5.018 -7.685 8.343 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.425 -5.597 9.519 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.944 -5.707 11.204 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.678 -7.822 10.510 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.778 -6.962 11.763 1.00 0.00 H new ATOM 797 N PHE A 52 5.331 -3.731 4.398 1.00 0.00 N ATOM 798 CA PHE A 52 6.593 -3.419 3.738 1.00 0.00 C ATOM 799 C PHE A 52 7.650 -4.471 4.062 1.00 0.00 C ATOM 800 O PHE A 52 7.591 -5.153 5.085 1.00 0.00 O ATOM 801 CB PHE A 52 7.088 -2.035 4.164 1.00 0.00 C ATOM 802 CG PHE A 52 6.422 -0.908 3.428 1.00 0.00 C ATOM 803 CD1 PHE A 52 5.208 -0.400 3.862 1.00 0.00 C ATOM 804 CD2 PHE A 52 7.010 -0.355 2.301 1.00 0.00 C ATOM 805 CE1 PHE A 52 4.593 0.637 3.185 1.00 0.00 C ATOM 806 CE2 PHE A 52 6.400 0.682 1.621 1.00 0.00 C ATOM 807 CZ PHE A 52 5.191 1.179 2.064 1.00 0.00 C ATOM 0 H PHE A 52 5.155 -3.194 5.247 1.00 0.00 H new ATOM 0 HA PHE A 52 6.421 -3.420 2.662 1.00 0.00 H new ATOM 0 HB2 PHE A 52 6.918 -1.910 5.233 1.00 0.00 H new ATOM 0 HB3 PHE A 52 8.165 -1.977 4.003 1.00 0.00 H new ATOM 0 HD1 PHE A 52 4.737 -0.819 4.739 1.00 0.00 H new ATOM 0 HD2 PHE A 52 7.956 -0.739 1.950 1.00 0.00 H new ATOM 0 HE1 PHE A 52 3.646 1.023 3.532 1.00 0.00 H new ATOM 0 HE2 PHE A 52 6.869 1.103 0.744 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.713 1.990 1.535 1.00 0.00 H new ATOM 817 N PRO A 53 8.641 -4.607 3.168 1.00 0.00 N ATOM 818 CA PRO A 53 9.731 -5.574 3.336 1.00 0.00 C ATOM 819 C PRO A 53 10.674 -5.192 4.471 1.00 0.00 C ATOM 820 O PRO A 53 11.261 -4.110 4.465 1.00 0.00 O ATOM 821 CB PRO A 53 10.462 -5.521 1.992 1.00 0.00 C ATOM 822 CG PRO A 53 10.161 -4.166 1.450 1.00 0.00 C ATOM 823 CD PRO A 53 8.775 -3.828 1.926 1.00 0.00 C ATOM 0 HA PRO A 53 9.360 -6.565 3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 53 11.535 -5.667 2.119 1.00 0.00 H new ATOM 0 HB3 PRO A 53 10.111 -6.303 1.319 1.00 0.00 H new ATOM 0 HG2 PRO A 53 10.885 -3.434 1.806 1.00 0.00 H new ATOM 0 HG3 PRO A 53 10.212 -4.161 0.361 1.00 0.00 H new ATOM 0 HD2 PRO A 53 8.662 -2.759 2.108 1.00 0.00 H new ATOM 0 HD3 PRO A 53 8.019 -4.108 1.193 1.00 0.00 H new ATOM 831 N GLN A 54 10.816 -6.088 5.443 1.00 0.00 N ATOM 832 CA GLN A 54 11.689 -5.844 6.585 1.00 0.00 C ATOM 833 C GLN A 54 13.151 -5.797 6.152 1.00 0.00 C ATOM 834 O GLN A 54 13.470 -6.017 4.984 1.00 0.00 O ATOM 835 CB GLN A 54 11.493 -6.929 7.645 1.00 0.00 C ATOM 836 CG GLN A 54 11.725 -8.338 7.123 1.00 0.00 C ATOM 837 CD GLN A 54 11.176 -9.403 8.052 1.00 0.00 C ATOM 838 OE1 GLN A 54 11.916 -10.007 8.828 1.00 0.00 O ATOM 839 NE2 GLN A 54 9.871 -9.637 7.978 1.00 0.00 N ATOM 0 H GLN A 54 10.338 -6.989 5.462 1.00 0.00 H new ATOM 0 HA GLN A 54 11.424 -4.877 7.013 1.00 0.00 H new ATOM 0 HB2 GLN A 54 12.174 -6.741 8.475 1.00 0.00 H new ATOM 0 HB3 GLN A 54 10.480 -6.859 8.041 1.00 0.00 H new ATOM 0 HG2 GLN A 54 11.258 -8.440 6.144 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.794 -8.498 6.984 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.295 -9.112 7.320 1.00 0.00 H new ATOM 0 HE22 GLN A 54 9.444 -10.342 8.580 1.00 0.00 H new ATOM 848 N SER A 55 14.035 -5.507 7.102 1.00 0.00 N ATOM 849 CA SER A 55 15.463 -5.427 6.818 1.00 0.00 C ATOM 850 C SER A 55 15.983 -6.752 6.270 1.00 0.00 C ATOM 851 O SER A 55 16.941 -6.785 5.499 1.00 0.00 O ATOM 852 CB SER A 55 16.235 -5.046 8.083 1.00 0.00 C ATOM 853 OG SER A 55 16.146 -6.067 9.061 1.00 0.00 O ATOM 0 H SER A 55 13.787 -5.324 8.074 1.00 0.00 H new ATOM 0 HA SER A 55 15.616 -4.657 6.062 1.00 0.00 H new ATOM 0 HB2 SER A 55 17.281 -4.866 7.834 1.00 0.00 H new ATOM 0 HB3 SER A 55 15.839 -4.115 8.488 1.00 0.00 H new ATOM 0 HG SER A 55 16.649 -5.800 9.859 1.00 0.00 H new ATOM 859 N GLY A 56 15.344 -7.845 6.676 1.00 0.00 N ATOM 860 CA GLY A 56 15.755 -9.159 6.217 1.00 0.00 C ATOM 861 C GLY A 56 14.774 -9.763 5.232 1.00 0.00 C ATOM 862 O GLY A 56 14.675 -10.983 5.113 1.00 0.00 O ATOM 0 H GLY A 56 14.549 -7.844 7.315 1.00 0.00 H new ATOM 0 HA2 GLY A 56 16.737 -9.086 5.749 1.00 0.00 H new ATOM 0 HA3 GLY A 56 15.859 -9.824 7.075 1.00 0.00 H new ATOM 866 N ALA A 57 14.046 -8.905 4.524 1.00 0.00 N ATOM 867 CA ALA A 57 13.068 -9.361 3.544 1.00 0.00 C ATOM 868 C ALA A 57 13.742 -9.738 2.229 1.00 0.00 C ATOM 869 O ALA A 57 14.753 -9.157 1.833 1.00 0.00 O ATOM 870 CB ALA A 57 12.015 -8.288 3.310 1.00 0.00 C ATOM 0 H ALA A 57 14.115 -7.891 4.611 1.00 0.00 H new ATOM 0 HA ALA A 57 12.582 -10.252 3.941 1.00 0.00 H new ATOM 0 HB1 ALA A 57 11.291 -8.642 2.576 1.00 0.00 H new ATOM 0 HB2 ALA A 57 11.504 -8.069 4.247 1.00 0.00 H new ATOM 0 HB3 ALA A 57 12.495 -7.382 2.939 1.00 0.00 H new ATOM 876 N PRO A 58 13.173 -10.735 1.536 1.00 0.00 N ATOM 877 CA PRO A 58 13.704 -11.212 0.255 1.00 0.00 C ATOM 878 C PRO A 58 13.516 -10.194 -0.865 1.00 0.00 C ATOM 879 O PRO A 58 14.283 -10.169 -1.828 1.00 0.00 O ATOM 880 CB PRO A 58 12.880 -12.471 -0.023 1.00 0.00 C ATOM 881 CG PRO A 58 11.606 -12.263 0.720 1.00 0.00 C ATOM 882 CD PRO A 58 11.968 -11.473 1.948 1.00 0.00 C ATOM 0 HA PRO A 58 14.778 -11.390 0.300 1.00 0.00 H new ATOM 0 HB2 PRO A 58 12.699 -12.598 -1.090 1.00 0.00 H new ATOM 0 HB3 PRO A 58 13.397 -13.366 0.321 1.00 0.00 H new ATOM 0 HG2 PRO A 58 10.881 -11.725 0.109 1.00 0.00 H new ATOM 0 HG3 PRO A 58 11.151 -13.216 0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 58 11.165 -10.798 2.243 1.00 0.00 H new ATOM 0 HD3 PRO A 58 12.167 -12.123 2.800 1.00 0.00 H new ATOM 890 N ASP A 59 12.494 -9.357 -0.732 1.00 0.00 N ATOM 891 CA ASP A 59 12.207 -8.336 -1.733 1.00 0.00 C ATOM 892 C ASP A 59 12.096 -6.958 -1.087 1.00 0.00 C ATOM 893 O ASP A 59 11.019 -6.523 -0.677 1.00 0.00 O ATOM 894 CB ASP A 59 10.913 -8.670 -2.477 1.00 0.00 C ATOM 895 CG ASP A 59 11.090 -9.805 -3.466 1.00 0.00 C ATOM 896 OD1 ASP A 59 11.571 -10.882 -3.054 1.00 0.00 O ATOM 897 OD2 ASP A 59 10.748 -9.617 -4.652 1.00 0.00 O ATOM 0 H ASP A 59 11.850 -9.365 0.059 1.00 0.00 H new ATOM 0 HA ASP A 59 13.032 -8.318 -2.445 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.141 -8.938 -1.755 1.00 0.00 H new ATOM 0 HB3 ASP A 59 10.562 -7.783 -3.005 1.00 0.00 H new ATOM 902 N PRO A 60 13.234 -6.255 -0.992 1.00 0.00 N ATOM 903 CA PRO A 60 13.291 -4.917 -0.396 1.00 0.00 C ATOM 904 C PRO A 60 12.600 -3.868 -1.261 1.00 0.00 C ATOM 905 O PRO A 60 12.524 -2.697 -0.891 1.00 0.00 O ATOM 906 CB PRO A 60 14.792 -4.632 -0.307 1.00 0.00 C ATOM 907 CG PRO A 60 15.402 -5.474 -1.374 1.00 0.00 C ATOM 908 CD PRO A 60 14.553 -6.712 -1.459 1.00 0.00 C ATOM 0 HA PRO A 60 12.778 -4.876 0.565 1.00 0.00 H new ATOM 0 HB2 PRO A 60 15.004 -3.575 -0.467 1.00 0.00 H new ATOM 0 HB3 PRO A 60 15.186 -4.891 0.676 1.00 0.00 H new ATOM 0 HG2 PRO A 60 15.418 -4.945 -2.327 1.00 0.00 H new ATOM 0 HG3 PRO A 60 16.435 -5.725 -1.131 1.00 0.00 H new ATOM 0 HD2 PRO A 60 14.507 -7.098 -2.477 1.00 0.00 H new ATOM 0 HD3 PRO A 60 14.946 -7.512 -0.832 1.00 0.00 H new ATOM 916 N ASN A 61 12.097 -4.296 -2.415 1.00 0.00 N ATOM 917 CA ASN A 61 11.413 -3.393 -3.332 1.00 0.00 C ATOM 918 C ASN A 61 9.990 -3.870 -3.605 1.00 0.00 C ATOM 919 O ASN A 61 9.326 -3.384 -4.521 1.00 0.00 O ATOM 920 CB ASN A 61 12.187 -3.284 -4.647 1.00 0.00 C ATOM 921 CG ASN A 61 12.761 -4.615 -5.092 1.00 0.00 C ATOM 922 OD1 ASN A 61 12.069 -5.428 -5.706 1.00 0.00 O ATOM 923 ND2 ASN A 61 14.032 -4.845 -4.783 1.00 0.00 N ATOM 0 H ASN A 61 12.151 -5.263 -2.736 1.00 0.00 H new ATOM 0 HA ASN A 61 11.365 -2.410 -2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 61 11.526 -2.899 -5.423 1.00 0.00 H new ATOM 0 HB3 ASN A 61 12.996 -2.563 -4.530 1.00 0.00 H new ATOM 0 HD21 ASN A 61 14.472 -5.724 -5.056 1.00 0.00 H new ATOM 0 HD22 ASN A 61 14.568 -4.143 -4.273 1.00 0.00 H new ATOM 930 N CYS A 62 9.528 -4.825 -2.805 1.00 0.00 N ATOM 931 CA CYS A 62 8.184 -5.369 -2.960 1.00 0.00 C ATOM 932 C CYS A 62 7.422 -5.321 -1.640 1.00 0.00 C ATOM 933 O CYS A 62 8.002 -5.506 -0.569 1.00 0.00 O ATOM 934 CB CYS A 62 8.250 -6.809 -3.473 1.00 0.00 C ATOM 935 SG CYS A 62 6.793 -7.326 -4.410 1.00 0.00 S ATOM 0 H CYS A 62 10.065 -5.238 -2.042 1.00 0.00 H new ATOM 0 HA CYS A 62 7.652 -4.756 -3.688 1.00 0.00 H new ATOM 0 HB2 CYS A 62 9.132 -6.919 -4.104 1.00 0.00 H new ATOM 0 HB3 CYS A 62 8.380 -7.480 -2.624 1.00 0.00 H new ATOM 0 HG CYS A 62 6.944 -8.556 -4.803 1.00 0.00 H new ATOM 941 N VAL A 63 6.120 -5.070 -1.723 1.00 0.00 N ATOM 942 CA VAL A 63 5.278 -4.997 -0.534 1.00 0.00 C ATOM 943 C VAL A 63 4.112 -5.975 -0.626 1.00 0.00 C ATOM 944 O VAL A 63 3.592 -6.240 -1.711 1.00 0.00 O ATOM 945 CB VAL A 63 4.726 -3.575 -0.325 1.00 0.00 C ATOM 946 CG1 VAL A 63 5.856 -2.557 -0.327 1.00 0.00 C ATOM 947 CG2 VAL A 63 3.694 -3.241 -1.392 1.00 0.00 C ATOM 0 H VAL A 63 5.625 -4.914 -2.601 1.00 0.00 H new ATOM 0 HA VAL A 63 5.906 -5.264 0.316 1.00 0.00 H new ATOM 0 HB VAL A 63 4.235 -3.535 0.647 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.446 -1.558 -0.178 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.554 -2.787 0.478 1.00 0.00 H new ATOM 0 HG13 VAL A 63 6.379 -2.596 -1.283 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.315 -2.232 -1.228 1.00 0.00 H new ATOM 0 HG22 VAL A 63 4.157 -3.299 -2.377 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.870 -3.952 -1.336 1.00 0.00 H new ATOM 957 N THR A 64 3.703 -6.509 0.521 1.00 0.00 N ATOM 958 CA THR A 64 2.598 -7.458 0.571 1.00 0.00 C ATOM 959 C THR A 64 1.325 -6.794 1.084 1.00 0.00 C ATOM 960 O THR A 64 1.158 -6.597 2.288 1.00 0.00 O ATOM 961 CB THR A 64 2.933 -8.663 1.470 1.00 0.00 C ATOM 962 OG1 THR A 64 4.125 -9.306 1.003 1.00 0.00 O ATOM 963 CG2 THR A 64 1.786 -9.662 1.486 1.00 0.00 C ATOM 0 H THR A 64 4.121 -6.300 1.428 1.00 0.00 H new ATOM 0 HA THR A 64 2.436 -7.808 -0.448 1.00 0.00 H new ATOM 0 HB THR A 64 3.090 -8.298 2.485 1.00 0.00 H new ATOM 0 HG1 THR A 64 4.332 -10.070 1.581 1.00 0.00 H new ATOM 0 HG21 THR A 64 2.046 -10.504 2.127 1.00 0.00 H new ATOM 0 HG22 THR A 64 0.887 -9.178 1.869 1.00 0.00 H new ATOM 0 HG23 THR A 64 1.602 -10.021 0.473 1.00 0.00 H new ATOM 971 N VAL A 65 0.429 -6.452 0.164 1.00 0.00 N ATOM 972 CA VAL A 65 -0.830 -5.812 0.524 1.00 0.00 C ATOM 973 C VAL A 65 -1.940 -6.842 0.700 1.00 0.00 C ATOM 974 O VAL A 65 -2.223 -7.628 -0.206 1.00 0.00 O ATOM 975 CB VAL A 65 -1.262 -4.785 -0.539 1.00 0.00 C ATOM 976 CG1 VAL A 65 -2.595 -4.155 -0.164 1.00 0.00 C ATOM 977 CG2 VAL A 65 -0.191 -3.719 -0.716 1.00 0.00 C ATOM 0 H VAL A 65 0.552 -6.608 -0.837 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.663 -5.297 1.470 1.00 0.00 H new ATOM 0 HB VAL A 65 -1.387 -5.304 -1.489 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -2.883 -3.432 -0.927 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -3.357 -4.931 -0.093 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -2.501 -3.650 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -0.513 -3.002 -1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -0.032 -3.203 0.231 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.740 -4.188 -1.035 1.00 0.00 H new ATOM 987 N THR A 66 -2.568 -6.834 1.871 1.00 0.00 N ATOM 988 CA THR A 66 -3.647 -7.767 2.167 1.00 0.00 C ATOM 989 C THR A 66 -5.009 -7.098 2.023 1.00 0.00 C ATOM 990 O THR A 66 -5.128 -5.879 2.144 1.00 0.00 O ATOM 991 CB THR A 66 -3.519 -8.342 3.591 1.00 0.00 C ATOM 992 OG1 THR A 66 -2.139 -8.420 3.965 1.00 0.00 O ATOM 993 CG2 THR A 66 -4.151 -9.723 3.676 1.00 0.00 C ATOM 0 H THR A 66 -2.347 -6.190 2.631 1.00 0.00 H new ATOM 0 HA THR A 66 -3.567 -8.580 1.446 1.00 0.00 H new ATOM 0 HB THR A 66 -4.044 -7.677 4.276 1.00 0.00 H new ATOM 0 HG1 THR A 66 -2.066 -8.785 4.872 1.00 0.00 H new ATOM 0 HG21 THR A 66 -4.048 -10.108 4.690 1.00 0.00 H new ATOM 0 HG22 THR A 66 -5.208 -9.656 3.419 1.00 0.00 H new ATOM 0 HG23 THR A 66 -3.650 -10.396 2.980 1.00 0.00 H new ATOM 1001 N GLY A 67 -6.035 -7.902 1.763 1.00 0.00 N ATOM 1002 CA GLY A 67 -7.375 -7.369 1.607 1.00 0.00 C ATOM 1003 C GLY A 67 -8.086 -7.933 0.393 1.00 0.00 C ATOM 1004 O GLY A 67 -7.460 -8.542 -0.476 1.00 0.00 O ATOM 0 H GLY A 67 -5.962 -8.914 1.658 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -7.957 -7.591 2.501 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -7.323 -6.284 1.522 1.00 0.00 H new ATOM 1008 N LEU A 68 -9.398 -7.734 0.331 1.00 0.00 N ATOM 1009 CA LEU A 68 -10.196 -8.229 -0.785 1.00 0.00 C ATOM 1010 C LEU A 68 -9.532 -7.898 -2.118 1.00 0.00 C ATOM 1011 O LEU A 68 -8.785 -6.928 -2.243 1.00 0.00 O ATOM 1012 CB LEU A 68 -11.602 -7.627 -0.739 1.00 0.00 C ATOM 1013 CG LEU A 68 -12.546 -8.206 0.315 1.00 0.00 C ATOM 1014 CD1 LEU A 68 -12.703 -9.706 0.125 1.00 0.00 C ATOM 1015 CD2 LEU A 68 -12.037 -7.894 1.715 1.00 0.00 C ATOM 0 H LEU A 68 -9.932 -7.233 1.041 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.268 -9.313 -0.695 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -11.511 -6.555 -0.566 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -12.062 -7.754 -1.719 1.00 0.00 H new ATOM 0 HG LEU A 68 -13.524 -7.741 0.193 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -13.378 -10.100 0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -13.113 -9.906 -0.865 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -11.730 -10.188 0.219 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.721 -8.314 2.453 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -11.047 -8.331 1.848 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -11.978 -6.814 1.848 1.00 0.00 H new ATOM 1027 N PRO A 69 -9.812 -8.722 -3.139 1.00 0.00 N ATOM 1028 CA PRO A 69 -9.255 -8.536 -4.482 1.00 0.00 C ATOM 1029 C PRO A 69 -9.830 -7.310 -5.184 1.00 0.00 C ATOM 1030 O PRO A 69 -9.262 -6.818 -6.158 1.00 0.00 O ATOM 1031 CB PRO A 69 -9.664 -9.814 -5.216 1.00 0.00 C ATOM 1032 CG PRO A 69 -10.882 -10.288 -4.501 1.00 0.00 C ATOM 1033 CD PRO A 69 -10.696 -9.898 -3.061 1.00 0.00 C ATOM 0 HA PRO A 69 -8.178 -8.369 -4.457 1.00 0.00 H new ATOM 0 HB2 PRO A 69 -9.874 -9.617 -6.267 1.00 0.00 H new ATOM 0 HB3 PRO A 69 -8.870 -10.560 -5.184 1.00 0.00 H new ATOM 0 HG2 PRO A 69 -11.780 -9.831 -4.916 1.00 0.00 H new ATOM 0 HG3 PRO A 69 -10.998 -11.367 -4.601 1.00 0.00 H new ATOM 0 HD2 PRO A 69 -11.646 -9.656 -2.584 1.00 0.00 H new ATOM 0 HD3 PRO A 69 -10.244 -10.703 -2.481 1.00 0.00 H new ATOM 1041 N GLU A 70 -10.961 -6.823 -4.682 1.00 0.00 N ATOM 1042 CA GLU A 70 -11.613 -5.655 -5.263 1.00 0.00 C ATOM 1043 C GLU A 70 -11.036 -4.366 -4.683 1.00 0.00 C ATOM 1044 O GLU A 70 -10.950 -3.349 -5.370 1.00 0.00 O ATOM 1045 CB GLU A 70 -13.121 -5.709 -5.014 1.00 0.00 C ATOM 1046 CG GLU A 70 -13.494 -5.780 -3.543 1.00 0.00 C ATOM 1047 CD GLU A 70 -14.986 -5.641 -3.311 1.00 0.00 C ATOM 1048 OE1 GLU A 70 -15.741 -6.531 -3.755 1.00 0.00 O ATOM 1049 OE2 GLU A 70 -15.398 -4.642 -2.686 1.00 0.00 O ATOM 0 H GLU A 70 -11.444 -7.219 -3.875 1.00 0.00 H new ATOM 0 HA GLU A 70 -11.429 -5.664 -6.337 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -13.585 -4.827 -5.455 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -13.534 -6.577 -5.527 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -13.153 -6.730 -3.131 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -12.971 -4.992 -3.001 1.00 0.00 H new ATOM 1056 N ASN A 71 -10.644 -4.418 -3.414 1.00 0.00 N ATOM 1057 CA ASN A 71 -10.077 -3.256 -2.741 1.00 0.00 C ATOM 1058 C ASN A 71 -8.575 -3.162 -2.989 1.00 0.00 C ATOM 1059 O ASN A 71 -8.053 -2.095 -3.313 1.00 0.00 O ATOM 1060 CB ASN A 71 -10.354 -3.325 -1.238 1.00 0.00 C ATOM 1061 CG ASN A 71 -11.813 -3.077 -0.907 1.00 0.00 C ATOM 1062 OD1 ASN A 71 -12.463 -2.225 -1.513 1.00 0.00 O ATOM 1063 ND2 ASN A 71 -12.335 -3.823 0.060 1.00 0.00 N ATOM 0 H ASN A 71 -10.709 -5.253 -2.831 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.551 -2.364 -3.150 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -10.060 -4.305 -0.862 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -9.737 -2.588 -0.723 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -13.312 -3.701 0.327 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -11.759 -4.518 0.536 1.00 0.00 H new ATOM 1070 N VAL A 72 -7.884 -4.288 -2.835 1.00 0.00 N ATOM 1071 CA VAL A 72 -6.442 -4.334 -3.044 1.00 0.00 C ATOM 1072 C VAL A 72 -6.058 -3.691 -4.372 1.00 0.00 C ATOM 1073 O VAL A 72 -5.123 -2.893 -4.438 1.00 0.00 O ATOM 1074 CB VAL A 72 -5.917 -5.782 -3.018 1.00 0.00 C ATOM 1075 CG1 VAL A 72 -4.532 -5.860 -3.640 1.00 0.00 C ATOM 1076 CG2 VAL A 72 -5.902 -6.317 -1.593 1.00 0.00 C ATOM 0 H VAL A 72 -8.300 -5.180 -2.566 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.986 -3.775 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 72 -6.589 -6.404 -3.609 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -4.178 -6.891 -3.612 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -4.578 -5.520 -4.675 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -3.845 -5.226 -3.080 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -5.528 -7.341 -1.593 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -5.253 -5.694 -0.977 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -6.913 -6.300 -1.187 1.00 0.00 H new ATOM 1086 N GLU A 73 -6.786 -4.042 -5.427 1.00 0.00 N ATOM 1087 CA GLU A 73 -6.520 -3.499 -6.753 1.00 0.00 C ATOM 1088 C GLU A 73 -6.573 -1.974 -6.736 1.00 0.00 C ATOM 1089 O GLU A 73 -5.736 -1.307 -7.344 1.00 0.00 O ATOM 1090 CB GLU A 73 -7.531 -4.044 -7.764 1.00 0.00 C ATOM 1091 CG GLU A 73 -8.976 -3.742 -7.403 1.00 0.00 C ATOM 1092 CD GLU A 73 -9.941 -4.091 -8.520 1.00 0.00 C ATOM 1093 OE1 GLU A 73 -9.514 -4.099 -9.693 1.00 0.00 O ATOM 1094 OE2 GLU A 73 -11.124 -4.356 -8.219 1.00 0.00 O ATOM 0 H GLU A 73 -7.564 -4.700 -5.389 1.00 0.00 H new ATOM 0 HA GLU A 73 -5.518 -3.808 -7.050 1.00 0.00 H new ATOM 0 HB2 GLU A 73 -7.315 -3.622 -8.745 1.00 0.00 H new ATOM 0 HB3 GLU A 73 -7.404 -5.123 -7.846 1.00 0.00 H new ATOM 0 HG2 GLU A 73 -9.247 -4.300 -6.506 1.00 0.00 H new ATOM 0 HG3 GLU A 73 -9.073 -2.683 -7.162 1.00 0.00 H new ATOM 1101 N GLU A 74 -7.564 -1.429 -6.037 1.00 0.00 N ATOM 1102 CA GLU A 74 -7.727 0.017 -5.942 1.00 0.00 C ATOM 1103 C GLU A 74 -6.562 0.647 -5.184 1.00 0.00 C ATOM 1104 O GLU A 74 -6.077 1.718 -5.549 1.00 0.00 O ATOM 1105 CB GLU A 74 -9.046 0.359 -5.248 1.00 0.00 C ATOM 1106 CG GLU A 74 -10.274 -0.120 -6.004 1.00 0.00 C ATOM 1107 CD GLU A 74 -10.291 0.350 -7.446 1.00 0.00 C ATOM 1108 OE1 GLU A 74 -9.590 -0.263 -8.278 1.00 0.00 O ATOM 1109 OE2 GLU A 74 -11.007 1.330 -7.741 1.00 0.00 O ATOM 0 H GLU A 74 -8.266 -1.967 -5.528 1.00 0.00 H new ATOM 0 HA GLU A 74 -7.741 0.423 -6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -9.048 -0.083 -4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.109 1.439 -5.117 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -10.309 -1.209 -5.980 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -11.170 0.239 -5.498 1.00 0.00 H new ATOM 1116 N ALA A 75 -6.118 -0.025 -4.127 1.00 0.00 N ATOM 1117 CA ALA A 75 -5.010 0.467 -3.319 1.00 0.00 C ATOM 1118 C ALA A 75 -3.734 0.580 -4.146 1.00 0.00 C ATOM 1119 O ALA A 75 -3.106 1.638 -4.194 1.00 0.00 O ATOM 1120 CB ALA A 75 -4.786 -0.443 -2.120 1.00 0.00 C ATOM 0 H ALA A 75 -6.509 -0.912 -3.810 1.00 0.00 H new ATOM 0 HA ALA A 75 -5.269 1.464 -2.961 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -3.955 -0.063 -1.525 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -5.688 -0.468 -1.509 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -4.554 -1.450 -2.466 1.00 0.00 H new ATOM 1126 N ILE A 76 -3.356 -0.517 -4.794 1.00 0.00 N ATOM 1127 CA ILE A 76 -2.155 -0.540 -5.620 1.00 0.00 C ATOM 1128 C ILE A 76 -2.066 0.705 -6.495 1.00 0.00 C ATOM 1129 O ILE A 76 -1.070 1.429 -6.462 1.00 0.00 O ATOM 1130 CB ILE A 76 -2.114 -1.790 -6.519 1.00 0.00 C ATOM 1131 CG1 ILE A 76 -2.142 -3.060 -5.666 1.00 0.00 C ATOM 1132 CG2 ILE A 76 -0.876 -1.766 -7.403 1.00 0.00 C ATOM 1133 CD1 ILE A 76 -2.459 -4.311 -6.455 1.00 0.00 C ATOM 0 H ILE A 76 -3.864 -1.401 -4.763 1.00 0.00 H new ATOM 0 HA ILE A 76 -1.304 -0.564 -4.939 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.995 -1.787 -7.161 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -1.174 -3.183 -5.179 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -2.883 -2.941 -4.876 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -0.861 -2.656 -8.032 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -0.896 -0.876 -8.033 1.00 0.00 H new ATOM 0 HG23 ILE A 76 0.017 -1.749 -6.778 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -2.462 -5.172 -5.786 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.440 -4.209 -6.920 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.704 -4.455 -7.228 1.00 0.00 H new ATOM 1145 N ASP A 77 -3.113 0.950 -7.275 1.00 0.00 N ATOM 1146 CA ASP A 77 -3.154 2.110 -8.157 1.00 0.00 C ATOM 1147 C ASP A 77 -2.690 3.366 -7.426 1.00 0.00 C ATOM 1148 O ASP A 77 -1.909 4.155 -7.959 1.00 0.00 O ATOM 1149 CB ASP A 77 -4.569 2.315 -8.700 1.00 0.00 C ATOM 1150 CG ASP A 77 -4.644 3.441 -9.712 1.00 0.00 C ATOM 1151 OD1 ASP A 77 -4.579 4.617 -9.296 1.00 0.00 O ATOM 1152 OD2 ASP A 77 -4.769 3.147 -10.920 1.00 0.00 O ATOM 0 H ASP A 77 -3.945 0.361 -7.314 1.00 0.00 H new ATOM 0 HA ASP A 77 -2.476 1.925 -8.990 1.00 0.00 H new ATOM 0 HB2 ASP A 77 -4.915 1.391 -9.163 1.00 0.00 H new ATOM 0 HB3 ASP A 77 -5.245 2.529 -7.872 1.00 0.00 H new ATOM 1157 N HIS A 78 -3.177 3.546 -6.202 1.00 0.00 N ATOM 1158 CA HIS A 78 -2.813 4.707 -5.398 1.00 0.00 C ATOM 1159 C HIS A 78 -1.342 4.651 -4.999 1.00 0.00 C ATOM 1160 O HIS A 78 -0.671 5.681 -4.920 1.00 0.00 O ATOM 1161 CB HIS A 78 -3.690 4.783 -4.148 1.00 0.00 C ATOM 1162 CG HIS A 78 -3.361 5.940 -3.255 1.00 0.00 C ATOM 1163 ND1 HIS A 78 -4.246 6.964 -2.993 1.00 0.00 N ATOM 1164 CD2 HIS A 78 -2.237 6.229 -2.559 1.00 0.00 C ATOM 1165 CE1 HIS A 78 -3.680 7.835 -2.177 1.00 0.00 C ATOM 1166 NE2 HIS A 78 -2.460 7.412 -1.898 1.00 0.00 N ATOM 0 H HIS A 78 -3.824 2.903 -5.746 1.00 0.00 H new ATOM 0 HA HIS A 78 -2.974 5.601 -6.001 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -4.735 4.854 -4.451 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -3.584 3.857 -3.583 1.00 0.00 H new ATOM 0 HD1 HIS A 78 -5.191 7.038 -3.370 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -1.333 5.639 -2.529 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -4.137 8.739 -1.802 1.00 0.00 H new ATOM 1174 N ILE A 79 -0.847 3.444 -4.747 1.00 0.00 N ATOM 1175 CA ILE A 79 0.544 3.255 -4.356 1.00 0.00 C ATOM 1176 C ILE A 79 1.490 3.625 -5.495 1.00 0.00 C ATOM 1177 O ILE A 79 2.383 4.456 -5.329 1.00 0.00 O ATOM 1178 CB ILE A 79 0.817 1.800 -3.930 1.00 0.00 C ATOM 1179 CG1 ILE A 79 0.027 1.461 -2.664 1.00 0.00 C ATOM 1180 CG2 ILE A 79 2.306 1.584 -3.706 1.00 0.00 C ATOM 1181 CD1 ILE A 79 0.065 -0.007 -2.304 1.00 0.00 C ATOM 0 H ILE A 79 -1.389 2.582 -4.807 1.00 0.00 H new ATOM 0 HA ILE A 79 0.725 3.914 -3.507 1.00 0.00 H new ATOM 0 HB ILE A 79 0.490 1.135 -4.729 1.00 0.00 H new ATOM 0 HG12 ILE A 79 0.424 2.041 -1.831 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -1.010 1.767 -2.800 1.00 0.00 H new ATOM 0 HG21 ILE A 79 2.483 0.551 -3.405 1.00 0.00 H new ATOM 0 HG22 ILE A 79 2.847 1.791 -4.630 1.00 0.00 H new ATOM 0 HG23 ILE A 79 2.657 2.255 -2.922 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.516 -0.174 -1.397 1.00 0.00 H new ATOM 0 HD12 ILE A 79 -0.359 -0.593 -3.120 1.00 0.00 H new ATOM 0 HD13 ILE A 79 1.097 -0.314 -2.136 1.00 0.00 H new ATOM 1193 N LEU A 80 1.286 3.003 -6.651 1.00 0.00 N ATOM 1194 CA LEU A 80 2.119 3.267 -7.819 1.00 0.00 C ATOM 1195 C LEU A 80 2.060 4.741 -8.208 1.00 0.00 C ATOM 1196 O LEU A 80 3.047 5.312 -8.667 1.00 0.00 O ATOM 1197 CB LEU A 80 1.672 2.399 -8.996 1.00 0.00 C ATOM 1198 CG LEU A 80 2.340 1.028 -9.110 1.00 0.00 C ATOM 1199 CD1 LEU A 80 1.639 0.179 -10.160 1.00 0.00 C ATOM 1200 CD2 LEU A 80 3.817 1.180 -9.443 1.00 0.00 C ATOM 0 H LEU A 80 0.551 2.313 -6.805 1.00 0.00 H new ATOM 0 HA LEU A 80 3.149 3.019 -7.563 1.00 0.00 H new ATOM 0 HB2 LEU A 80 0.594 2.251 -8.924 1.00 0.00 H new ATOM 0 HB3 LEU A 80 1.857 2.949 -9.918 1.00 0.00 H new ATOM 0 HG LEU A 80 2.256 0.523 -8.148 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.128 -0.793 -10.228 1.00 0.00 H new ATOM 0 HD12 LEU A 80 0.595 0.041 -9.879 1.00 0.00 H new ATOM 0 HD13 LEU A 80 1.691 0.679 -11.127 1.00 0.00 H new ATOM 0 HD21 LEU A 80 4.276 0.194 -9.520 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.924 1.705 -10.392 1.00 0.00 H new ATOM 0 HD23 LEU A 80 4.311 1.749 -8.656 1.00 0.00 H new ATOM 1212 N ASN A 81 0.894 5.351 -8.018 1.00 0.00 N ATOM 1213 CA ASN A 81 0.706 6.759 -8.348 1.00 0.00 C ATOM 1214 C ASN A 81 1.725 7.629 -7.619 1.00 0.00 C ATOM 1215 O ASN A 81 2.322 8.532 -8.208 1.00 0.00 O ATOM 1216 CB ASN A 81 -0.713 7.204 -7.986 1.00 0.00 C ATOM 1217 CG ASN A 81 -0.822 8.707 -7.819 1.00 0.00 C ATOM 1218 OD1 ASN A 81 -0.049 9.466 -8.405 1.00 0.00 O ATOM 1219 ND2 ASN A 81 -1.786 9.145 -7.017 1.00 0.00 N ATOM 0 H ASN A 81 0.066 4.893 -7.638 1.00 0.00 H new ATOM 0 HA ASN A 81 0.854 6.878 -9.421 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -1.403 6.876 -8.764 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -1.019 6.715 -7.061 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.909 10.146 -6.866 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -2.404 8.480 -6.552 1.00 0.00 H new ATOM 1226 N LEU A 82 1.921 7.352 -6.334 1.00 0.00 N ATOM 1227 CA LEU A 82 2.869 8.109 -5.524 1.00 0.00 C ATOM 1228 C LEU A 82 4.304 7.706 -5.847 1.00 0.00 C ATOM 1229 O LEU A 82 5.227 8.511 -5.725 1.00 0.00 O ATOM 1230 CB LEU A 82 2.588 7.888 -4.037 1.00 0.00 C ATOM 1231 CG LEU A 82 1.161 8.181 -3.572 1.00 0.00 C ATOM 1232 CD1 LEU A 82 0.962 7.723 -2.136 1.00 0.00 C ATOM 1233 CD2 LEU A 82 0.848 9.664 -3.710 1.00 0.00 C ATOM 0 H LEU A 82 1.436 6.609 -5.831 1.00 0.00 H new ATOM 0 HA LEU A 82 2.747 9.167 -5.758 1.00 0.00 H new ATOM 0 HB2 LEU A 82 2.822 6.852 -3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 82 3.271 8.513 -3.462 1.00 0.00 H new ATOM 0 HG LEU A 82 0.472 7.625 -4.207 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.059 7.940 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 82 1.142 6.650 -2.068 1.00 0.00 H new ATOM 0 HD13 LEU A 82 1.660 8.250 -1.486 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -0.172 9.853 -3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 82 1.544 10.241 -3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 82 0.947 9.961 -4.754 1.00 0.00 H new ATOM 1245 N GLU A 83 4.484 6.456 -6.262 1.00 0.00 N ATOM 1246 CA GLU A 83 5.807 5.948 -6.604 1.00 0.00 C ATOM 1247 C GLU A 83 6.498 6.863 -7.611 1.00 0.00 C ATOM 1248 O GLU A 83 7.665 7.215 -7.447 1.00 0.00 O ATOM 1249 CB GLU A 83 5.703 4.532 -7.174 1.00 0.00 C ATOM 1250 CG GLU A 83 7.049 3.858 -7.380 1.00 0.00 C ATOM 1251 CD GLU A 83 7.034 2.864 -8.526 1.00 0.00 C ATOM 1252 OE1 GLU A 83 6.412 3.167 -9.565 1.00 0.00 O ATOM 1253 OE2 GLU A 83 7.645 1.784 -8.383 1.00 0.00 O ATOM 0 H GLU A 83 3.731 5.777 -6.369 1.00 0.00 H new ATOM 0 HA GLU A 83 6.404 5.922 -5.692 1.00 0.00 H new ATOM 0 HB2 GLU A 83 5.100 3.922 -6.501 1.00 0.00 H new ATOM 0 HB3 GLU A 83 5.176 4.571 -8.127 1.00 0.00 H new ATOM 0 HG2 GLU A 83 7.806 4.618 -7.573 1.00 0.00 H new ATOM 0 HG3 GLU A 83 7.339 3.345 -6.463 1.00 0.00 H new ATOM 1260 N GLU A 84 5.766 7.245 -8.654 1.00 0.00 N ATOM 1261 CA GLU A 84 6.309 8.118 -9.688 1.00 0.00 C ATOM 1262 C GLU A 84 6.501 9.535 -9.158 1.00 0.00 C ATOM 1263 O GLU A 84 7.598 10.088 -9.219 1.00 0.00 O ATOM 1264 CB GLU A 84 5.383 8.138 -10.907 1.00 0.00 C ATOM 1265 CG GLU A 84 5.981 8.841 -12.113 1.00 0.00 C ATOM 1266 CD GLU A 84 6.948 7.961 -12.882 1.00 0.00 C ATOM 1267 OE1 GLU A 84 6.795 6.723 -12.825 1.00 0.00 O ATOM 1268 OE2 GLU A 84 7.856 8.510 -13.540 1.00 0.00 O ATOM 0 H GLU A 84 4.797 6.964 -8.805 1.00 0.00 H new ATOM 0 HA GLU A 84 7.281 7.726 -9.985 1.00 0.00 H new ATOM 0 HB2 GLU A 84 5.134 7.113 -11.181 1.00 0.00 H new ATOM 0 HB3 GLU A 84 4.449 8.631 -10.636 1.00 0.00 H new ATOM 0 HG2 GLU A 84 5.178 9.160 -12.778 1.00 0.00 H new ATOM 0 HG3 GLU A 84 6.499 9.742 -11.784 1.00 0.00 H new ATOM 1275 N GLU A 85 5.425 10.117 -8.638 1.00 0.00 N ATOM 1276 CA GLU A 85 5.475 11.471 -8.098 1.00 0.00 C ATOM 1277 C GLU A 85 6.739 11.680 -7.269 1.00 0.00 C ATOM 1278 O GLU A 85 7.412 12.704 -7.390 1.00 0.00 O ATOM 1279 CB GLU A 85 4.238 11.748 -7.241 1.00 0.00 C ATOM 1280 CG GLU A 85 4.299 13.070 -6.493 1.00 0.00 C ATOM 1281 CD GLU A 85 4.275 14.267 -7.422 1.00 0.00 C ATOM 1282 OE1 GLU A 85 3.394 14.316 -8.306 1.00 0.00 O ATOM 1283 OE2 GLU A 85 5.138 15.157 -7.265 1.00 0.00 O ATOM 0 H GLU A 85 4.509 9.673 -8.579 1.00 0.00 H new ATOM 0 HA GLU A 85 5.491 12.168 -8.936 1.00 0.00 H new ATOM 0 HB2 GLU A 85 3.355 11.742 -7.880 1.00 0.00 H new ATOM 0 HB3 GLU A 85 4.116 10.938 -6.521 1.00 0.00 H new ATOM 0 HG2 GLU A 85 3.457 13.133 -5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 85 5.207 13.101 -5.890 1.00 0.00 H new ATOM 1290 N TYR A 86 7.055 10.703 -6.427 1.00 0.00 N ATOM 1291 CA TYR A 86 8.236 10.780 -5.575 1.00 0.00 C ATOM 1292 C TYR A 86 9.509 10.572 -6.390 1.00 0.00 C ATOM 1293 O TYR A 86 10.436 11.381 -6.332 1.00 0.00 O ATOM 1294 CB TYR A 86 8.155 9.736 -4.460 1.00 0.00 C ATOM 1295 CG TYR A 86 7.250 10.140 -3.318 1.00 0.00 C ATOM 1296 CD1 TYR A 86 7.390 11.375 -2.697 1.00 0.00 C ATOM 1297 CD2 TYR A 86 6.255 9.286 -2.860 1.00 0.00 C ATOM 1298 CE1 TYR A 86 6.566 11.747 -1.653 1.00 0.00 C ATOM 1299 CE2 TYR A 86 5.425 9.650 -1.817 1.00 0.00 C ATOM 1300 CZ TYR A 86 5.585 10.881 -1.217 1.00 0.00 C ATOM 1301 OH TYR A 86 4.761 11.249 -0.177 1.00 0.00 O ATOM 0 H TYR A 86 6.510 9.848 -6.316 1.00 0.00 H new ATOM 0 HA TYR A 86 8.269 11.775 -5.131 1.00 0.00 H new ATOM 0 HB2 TYR A 86 7.799 8.795 -4.880 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.157 9.553 -4.072 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.156 12.056 -3.037 1.00 0.00 H new ATOM 0 HD2 TYR A 86 6.128 8.321 -3.327 1.00 0.00 H new ATOM 0 HE1 TYR A 86 6.689 12.710 -1.181 1.00 0.00 H new ATOM 0 HE2 TYR A 86 4.656 8.974 -1.474 1.00 0.00 H new ATOM 0 HH TYR A 86 4.977 10.715 0.616 1.00 0.00 H new ATOM 1311 N LEU A 87 9.547 9.483 -7.149 1.00 0.00 N ATOM 1312 CA LEU A 87 10.706 9.167 -7.977 1.00 0.00 C ATOM 1313 C LEU A 87 11.172 10.396 -8.752 1.00 0.00 C ATOM 1314 O LEU A 87 12.370 10.661 -8.852 1.00 0.00 O ATOM 1315 CB LEU A 87 10.369 8.035 -8.950 1.00 0.00 C ATOM 1316 CG LEU A 87 10.438 6.618 -8.379 1.00 0.00 C ATOM 1317 CD1 LEU A 87 9.733 5.637 -9.303 1.00 0.00 C ATOM 1318 CD2 LEU A 87 11.885 6.201 -8.159 1.00 0.00 C ATOM 0 H LEU A 87 8.789 8.804 -7.209 1.00 0.00 H new ATOM 0 HA LEU A 87 11.514 8.845 -7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 87 9.363 8.201 -9.336 1.00 0.00 H new ATOM 0 HB3 LEU A 87 11.050 8.097 -9.799 1.00 0.00 H new ATOM 0 HG LEU A 87 9.929 6.609 -7.415 1.00 0.00 H new ATOM 0 HD11 LEU A 87 9.792 4.634 -8.881 1.00 0.00 H new ATOM 0 HD12 LEU A 87 8.687 5.925 -9.410 1.00 0.00 H new ATOM 0 HD13 LEU A 87 10.214 5.648 -10.281 1.00 0.00 H new ATOM 0 HD21 LEU A 87 11.915 5.190 -7.752 1.00 0.00 H new ATOM 0 HD22 LEU A 87 12.419 6.226 -9.109 1.00 0.00 H new ATOM 0 HD23 LEU A 87 12.359 6.888 -7.458 1.00 0.00 H new ATOM 1330 N ALA A 88 10.218 11.144 -9.295 1.00 0.00 N ATOM 1331 CA ALA A 88 10.531 12.347 -10.056 1.00 0.00 C ATOM 1332 C ALA A 88 11.669 13.128 -9.406 1.00 0.00 C ATOM 1333 O ALA A 88 12.474 13.757 -10.093 1.00 0.00 O ATOM 1334 CB ALA A 88 9.295 13.225 -10.189 1.00 0.00 C ATOM 0 H ALA A 88 9.222 10.938 -9.222 1.00 0.00 H new ATOM 0 HA ALA A 88 10.856 12.043 -11.051 1.00 0.00 H new ATOM 0 HB1 ALA A 88 9.544 14.120 -10.760 1.00 0.00 H new ATOM 0 HB2 ALA A 88 8.510 12.672 -10.705 1.00 0.00 H new ATOM 0 HB3 ALA A 88 8.945 13.513 -9.198 1.00 0.00 H new ATOM 1340 N ASP A 89 11.728 13.084 -8.080 1.00 0.00 N ATOM 1341 CA ASP A 89 12.767 13.787 -7.337 1.00 0.00 C ATOM 1342 C ASP A 89 13.982 12.890 -7.122 1.00 0.00 C ATOM 1343 O ASP A 89 14.496 12.781 -6.009 1.00 0.00 O ATOM 1344 CB ASP A 89 12.226 14.265 -5.989 1.00 0.00 C ATOM 1345 CG ASP A 89 12.930 15.512 -5.492 1.00 0.00 C ATOM 1346 OD1 ASP A 89 14.106 15.406 -5.084 1.00 0.00 O ATOM 1347 OD2 ASP A 89 12.305 16.593 -5.508 1.00 0.00 O ATOM 0 H ASP A 89 11.068 12.569 -7.497 1.00 0.00 H new ATOM 0 HA ASP A 89 13.075 14.653 -7.923 1.00 0.00 H new ATOM 0 HB2 ASP A 89 11.158 14.466 -6.080 1.00 0.00 H new ATOM 0 HB3 ASP A 89 12.339 13.469 -5.253 1.00 0.00 H new ATOM 1352 N SER A 90 14.436 12.250 -8.195 1.00 0.00 N ATOM 1353 CA SER A 90 15.588 11.358 -8.123 1.00 0.00 C ATOM 1354 C SER A 90 16.795 12.078 -7.530 1.00 0.00 C ATOM 1355 O SER A 90 17.499 11.536 -6.678 1.00 0.00 O ATOM 1356 CB SER A 90 15.932 10.821 -9.514 1.00 0.00 C ATOM 1357 OG SER A 90 16.320 11.870 -10.384 1.00 0.00 O ATOM 0 H SER A 90 14.024 12.332 -9.124 1.00 0.00 H new ATOM 0 HA SER A 90 15.330 10.522 -7.473 1.00 0.00 H new ATOM 0 HB2 SER A 90 16.738 10.092 -9.437 1.00 0.00 H new ATOM 0 HB3 SER A 90 15.070 10.300 -9.930 1.00 0.00 H new ATOM 0 HG SER A 90 16.536 11.501 -11.266 1.00 0.00 H new ATOM 1363 N GLY A 91 17.030 13.304 -7.989 1.00 0.00 N ATOM 1364 CA GLY A 91 18.152 14.079 -7.494 1.00 0.00 C ATOM 1365 C GLY A 91 17.759 15.494 -7.119 1.00 0.00 C ATOM 1366 O GLY A 91 16.883 16.102 -7.734 1.00 0.00 O ATOM 0 H GLY A 91 16.463 13.774 -8.695 1.00 0.00 H new ATOM 0 HA2 GLY A 91 18.578 13.581 -6.623 1.00 0.00 H new ATOM 0 HA3 GLY A 91 18.931 14.111 -8.255 1.00 0.00 H new ATOM 1370 N PRO A 92 18.416 16.041 -6.085 1.00 0.00 N ATOM 1371 CA PRO A 92 18.147 17.399 -5.604 1.00 0.00 C ATOM 1372 C PRO A 92 18.612 18.465 -6.590 1.00 0.00 C ATOM 1373 O PRO A 92 19.777 18.490 -6.988 1.00 0.00 O ATOM 1374 CB PRO A 92 18.953 17.483 -4.306 1.00 0.00 C ATOM 1375 CG PRO A 92 20.049 16.488 -4.476 1.00 0.00 C ATOM 1376 CD PRO A 92 19.473 15.374 -5.305 1.00 0.00 C ATOM 0 HA PRO A 92 17.080 17.580 -5.471 1.00 0.00 H new ATOM 0 HB2 PRO A 92 19.350 18.486 -4.150 1.00 0.00 H new ATOM 0 HB3 PRO A 92 18.335 17.247 -3.440 1.00 0.00 H new ATOM 0 HG2 PRO A 92 20.910 16.937 -4.971 1.00 0.00 H new ATOM 0 HG3 PRO A 92 20.393 16.118 -3.510 1.00 0.00 H new ATOM 0 HD2 PRO A 92 20.226 14.923 -5.952 1.00 0.00 H new ATOM 0 HD3 PRO A 92 19.070 14.576 -4.681 1.00 0.00 H new ATOM 1384 N SER A 93 17.695 19.345 -6.980 1.00 0.00 N ATOM 1385 CA SER A 93 18.012 20.412 -7.922 1.00 0.00 C ATOM 1386 C SER A 93 17.814 21.781 -7.279 1.00 0.00 C ATOM 1387 O SER A 93 16.850 22.001 -6.546 1.00 0.00 O ATOM 1388 CB SER A 93 17.139 20.293 -9.173 1.00 0.00 C ATOM 1389 OG SER A 93 17.570 21.187 -10.183 1.00 0.00 O ATOM 0 H SER A 93 16.727 19.340 -6.658 1.00 0.00 H new ATOM 0 HA SER A 93 19.059 20.312 -8.207 1.00 0.00 H new ATOM 0 HB2 SER A 93 17.174 19.270 -9.549 1.00 0.00 H new ATOM 0 HB3 SER A 93 16.100 20.503 -8.917 1.00 0.00 H new ATOM 0 HG SER A 93 16.997 21.090 -10.972 1.00 0.00 H new ATOM 1395 N SER A 94 18.734 22.698 -7.559 1.00 0.00 N ATOM 1396 CA SER A 94 18.664 24.046 -7.005 1.00 0.00 C ATOM 1397 C SER A 94 17.509 24.827 -7.622 1.00 0.00 C ATOM 1398 O SER A 94 16.943 24.423 -8.637 1.00 0.00 O ATOM 1399 CB SER A 94 19.982 24.787 -7.243 1.00 0.00 C ATOM 1400 OG SER A 94 20.233 24.947 -8.628 1.00 0.00 O ATOM 0 H SER A 94 19.537 22.533 -8.166 1.00 0.00 H new ATOM 0 HA SER A 94 18.491 23.963 -5.932 1.00 0.00 H new ATOM 0 HB2 SER A 94 19.946 25.764 -6.761 1.00 0.00 H new ATOM 0 HB3 SER A 94 20.802 24.235 -6.783 1.00 0.00 H new ATOM 0 HG SER A 94 21.079 25.425 -8.754 1.00 0.00 H new ATOM 1406 N GLY A 95 17.165 25.952 -7.001 1.00 0.00 N ATOM 1407 CA GLY A 95 16.079 26.773 -7.503 1.00 0.00 C ATOM 1408 C GLY A 95 15.189 27.299 -6.394 1.00 0.00 C ATOM 1409 O GLY A 95 14.662 26.526 -5.594 1.00 0.00 O ATOM 0 H GLY A 95 17.619 26.309 -6.160 1.00 0.00 H new ATOM 0 HA2 GLY A 95 16.491 27.613 -8.063 1.00 0.00 H new ATOM 0 HA3 GLY A 95 15.478 26.189 -8.200 1.00 0.00 H new TER 1413 GLY A 95