USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 626 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 51 ASN :FLIP amide:sc= -5.01! C(o=-18!,f=-11!) USER MOD Set 1.2: A 55 ASN : amide:sc= -5.59! C(o=-11!,f=-17!) USER MOD Set 2.1: A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 19 LYS NZ :NH3+ -122:sc= -0.195 (180deg=-0.175) USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 8 GLN : amide:sc= -0.012 K(o=-0.012,f=-1.7!) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -2.78! X(o=-2.8!,f=-2.8) USER MOD Single : A 31 GLN :FLIP amide:sc= -2.12 F(o=-4.3!,f=-2.1) USER MOD Single : A 36 HIS : no HE2:sc= 0.505 K(o=0.5,f=-6.7!) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 39 LYS NZ :NH3+ -149:sc= -0.23 (180deg=-1.15) USER MOD Single : A 43 GLN : amide:sc= -0.0222 K(o=-0.022,f=-2!) USER MOD Single : A 47 SER OG : rot 91:sc= 0.027 USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ -163:sc= -0.0164 (180deg=-0.312) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 HIS :FLIP no HD1:sc= -0.539 F(o=-1.1,f=-0.54) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot -77:sc= 1.31 USER MOD Single : A 67 ASN : amide:sc= -4.5! C(o=-4.5!,f=-11!) USER MOD Single : A 68 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.12 USER MOD Single : A 72 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 74 LYS NZ :NH3+ 147:sc= -0.263 (180deg=-1.56!) USER MOD Single : A 76 GLN : amide:sc= -0.113 K(o=-0.11,f=-6.7!) USER MOD Single : A 78 THR OG1 : rot -17:sc= -0.0194 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 44 N ILE A 4 -4.652 -1.820 20.186 1.00 0.00 N ATOM 45 CA ILE A 4 -5.753 -2.473 19.484 1.00 0.00 C ATOM 46 C ILE A 4 -6.178 -1.649 18.274 1.00 0.00 C ATOM 47 O ILE A 4 -6.392 -0.441 18.377 1.00 0.00 O ATOM 48 CB ILE A 4 -6.937 -2.658 20.420 1.00 0.00 C ATOM 49 CG1 ILE A 4 -6.529 -3.554 21.593 1.00 0.00 C ATOM 50 CG2 ILE A 4 -8.096 -3.310 19.664 1.00 0.00 C ATOM 51 CD1 ILE A 4 -7.603 -3.496 22.682 1.00 0.00 C ATOM 0 HA ILE A 4 -5.411 -3.450 19.143 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.251 -1.685 20.796 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -6.399 -4.581 21.251 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.570 -3.228 21.996 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -8.942 -3.441 20.338 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.391 -2.673 18.831 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.781 -4.282 19.284 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -7.311 -4.134 23.516 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -7.712 -2.469 23.032 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -8.553 -3.843 22.275 1.00 0.00 H new ATOM 63 N PHE A 5 -6.297 -2.308 17.126 1.00 0.00 N ATOM 64 CA PHE A 5 -6.702 -1.620 15.904 1.00 0.00 C ATOM 65 C PHE A 5 -8.186 -1.268 15.954 1.00 0.00 C ATOM 66 O PHE A 5 -9.002 -2.041 16.451 1.00 0.00 O ATOM 67 CB PHE A 5 -6.422 -2.518 14.685 1.00 0.00 C ATOM 68 CG PHE A 5 -5.003 -2.299 14.207 1.00 0.00 C ATOM 69 CD1 PHE A 5 -3.938 -2.403 15.109 1.00 0.00 C ATOM 70 CD2 PHE A 5 -4.758 -1.990 12.864 1.00 0.00 C ATOM 71 CE1 PHE A 5 -2.628 -2.191 14.669 1.00 0.00 C ATOM 72 CE2 PHE A 5 -3.450 -1.779 12.425 1.00 0.00 C ATOM 73 CZ PHE A 5 -2.383 -1.885 13.325 1.00 0.00 C ATOM 0 H PHE A 5 -6.121 -3.307 17.015 1.00 0.00 H new ATOM 0 HA PHE A 5 -6.128 -0.698 15.816 1.00 0.00 H new ATOM 0 HB2 PHE A 5 -6.569 -3.565 14.951 1.00 0.00 H new ATOM 0 HB3 PHE A 5 -7.125 -2.290 13.884 1.00 0.00 H new ATOM 0 HD1 PHE A 5 -4.128 -2.647 16.144 1.00 0.00 H new ATOM 0 HD2 PHE A 5 -5.580 -1.915 12.168 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -1.806 -2.263 15.365 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -3.261 -1.534 11.390 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.370 -1.731 12.982 1.00 0.00 H new ATOM 83 N THR A 6 -8.523 -0.099 15.421 1.00 0.00 N ATOM 84 CA THR A 6 -9.910 0.347 15.403 1.00 0.00 C ATOM 85 C THR A 6 -10.724 -0.472 14.405 1.00 0.00 C ATOM 86 O THR A 6 -10.212 -0.893 13.368 1.00 0.00 O ATOM 87 CB THR A 6 -9.980 1.827 15.025 1.00 0.00 C ATOM 88 OG1 THR A 6 -8.981 2.544 15.739 1.00 0.00 O ATOM 89 CG2 THR A 6 -11.360 2.385 15.382 1.00 0.00 C ATOM 0 H THR A 6 -7.861 0.552 14.999 1.00 0.00 H new ATOM 0 HA THR A 6 -10.328 0.207 16.400 1.00 0.00 H new ATOM 0 HB THR A 6 -9.813 1.935 13.953 1.00 0.00 H new ATOM 0 HG1 THR A 6 -9.023 3.493 15.497 1.00 0.00 H new ATOM 0 HG21 THR A 6 -11.407 3.440 15.112 1.00 0.00 H new ATOM 0 HG22 THR A 6 -12.127 1.836 14.836 1.00 0.00 H new ATOM 0 HG23 THR A 6 -11.530 2.277 16.453 1.00 0.00 H new ATOM 97 N VAL A 7 -11.993 -0.696 14.729 1.00 0.00 N ATOM 98 CA VAL A 7 -12.869 -1.467 13.855 1.00 0.00 C ATOM 99 C VAL A 7 -13.039 -0.767 12.510 1.00 0.00 C ATOM 100 O VAL A 7 -13.116 -1.418 11.466 1.00 0.00 O ATOM 101 CB VAL A 7 -14.237 -1.649 14.515 1.00 0.00 C ATOM 102 CG1 VAL A 7 -14.891 -0.281 14.719 1.00 0.00 C ATOM 103 CG2 VAL A 7 -15.126 -2.508 13.613 1.00 0.00 C ATOM 0 H VAL A 7 -12.435 -0.358 15.584 1.00 0.00 H new ATOM 0 HA VAL A 7 -12.414 -2.443 13.687 1.00 0.00 H new ATOM 0 HB VAL A 7 -14.113 -2.140 15.480 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -15.866 -0.410 15.189 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -14.258 0.333 15.359 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -15.016 0.210 13.754 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -16.101 -2.639 14.082 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -15.250 -2.015 12.649 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -14.661 -3.483 13.465 1.00 0.00 H new ATOM 113 N GLN A 8 -13.099 0.559 12.542 1.00 0.00 N ATOM 114 CA GLN A 8 -13.259 1.337 11.319 1.00 0.00 C ATOM 115 C GLN A 8 -12.106 1.068 10.359 1.00 0.00 C ATOM 116 O GLN A 8 -12.310 0.932 9.151 1.00 0.00 O ATOM 117 CB GLN A 8 -13.315 2.829 11.652 1.00 0.00 C ATOM 118 CG GLN A 8 -13.477 3.636 10.361 1.00 0.00 C ATOM 119 CD GLN A 8 -13.707 5.106 10.692 1.00 0.00 C ATOM 120 OE1 GLN A 8 -14.088 5.439 11.814 1.00 0.00 O ATOM 121 NE2 GLN A 8 -13.492 6.011 9.778 1.00 0.00 N ATOM 0 H GLN A 8 -13.040 1.115 13.395 1.00 0.00 H new ATOM 0 HA GLN A 8 -14.191 1.039 10.840 1.00 0.00 H new ATOM 0 HB2 GLN A 8 -14.147 3.031 12.326 1.00 0.00 H new ATOM 0 HB3 GLN A 8 -12.405 3.131 12.170 1.00 0.00 H new ATOM 0 HG2 GLN A 8 -12.587 3.529 9.741 1.00 0.00 H new ATOM 0 HG3 GLN A 8 -14.316 3.249 9.783 1.00 0.00 H new ATOM 0 HE21 GLN A 8 -13.176 5.733 8.849 1.00 0.00 H new ATOM 0 HE22 GLN A 8 -13.640 6.997 9.992 1.00 0.00 H new ATOM 130 N GLU A 9 -10.894 0.995 10.900 1.00 0.00 N ATOM 131 CA GLU A 9 -9.716 0.744 10.077 1.00 0.00 C ATOM 132 C GLU A 9 -9.771 -0.656 9.473 1.00 0.00 C ATOM 133 O GLU A 9 -9.529 -0.837 8.281 1.00 0.00 O ATOM 134 CB GLU A 9 -8.450 0.884 10.926 1.00 0.00 C ATOM 135 CG GLU A 9 -8.243 2.353 11.298 1.00 0.00 C ATOM 136 CD GLU A 9 -7.034 2.494 12.216 1.00 0.00 C ATOM 137 OE1 GLU A 9 -6.443 1.478 12.545 1.00 0.00 O ATOM 138 OE2 GLU A 9 -6.717 3.614 12.578 1.00 0.00 O ATOM 0 H GLU A 9 -10.702 1.105 11.896 1.00 0.00 H new ATOM 0 HA GLU A 9 -9.698 1.475 9.269 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -8.536 0.278 11.828 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -7.587 0.513 10.374 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -8.096 2.948 10.396 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.133 2.740 11.794 1.00 0.00 H new ATOM 145 N LEU A 10 -10.101 -1.640 10.302 1.00 0.00 N ATOM 146 CA LEU A 10 -10.194 -3.019 9.839 1.00 0.00 C ATOM 147 C LEU A 10 -11.358 -3.180 8.869 1.00 0.00 C ATOM 148 O LEU A 10 -11.277 -3.946 7.907 1.00 0.00 O ATOM 149 CB LEU A 10 -10.381 -3.959 11.031 1.00 0.00 C ATOM 150 CG LEU A 10 -9.141 -3.894 11.930 1.00 0.00 C ATOM 151 CD1 LEU A 10 -9.400 -4.684 13.214 1.00 0.00 C ATOM 152 CD2 LEU A 10 -7.928 -4.491 11.195 1.00 0.00 C ATOM 0 H LEU A 10 -10.307 -1.510 11.292 1.00 0.00 H new ATOM 0 HA LEU A 10 -9.269 -3.273 9.321 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -11.269 -3.675 11.596 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -10.538 -4.980 10.682 1.00 0.00 H new ATOM 0 HG LEU A 10 -8.932 -2.853 12.177 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -8.519 -4.638 13.854 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -10.253 -4.254 13.740 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -9.614 -5.723 12.965 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -7.051 -4.441 11.840 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -8.133 -5.531 10.940 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -7.740 -3.924 10.283 1.00 0.00 H new ATOM 164 N LYS A 11 -12.447 -2.470 9.138 1.00 0.00 N ATOM 165 CA LYS A 11 -13.630 -2.553 8.289 1.00 0.00 C ATOM 166 C LYS A 11 -13.288 -2.168 6.853 1.00 0.00 C ATOM 167 O LYS A 11 -13.713 -2.831 5.907 1.00 0.00 O ATOM 168 CB LYS A 11 -14.718 -1.620 8.822 1.00 0.00 C ATOM 169 CG LYS A 11 -16.002 -1.819 8.013 1.00 0.00 C ATOM 170 CD LYS A 11 -17.151 -1.057 8.680 1.00 0.00 C ATOM 171 CE LYS A 11 -16.914 0.451 8.555 1.00 0.00 C ATOM 172 NZ LYS A 11 -18.188 1.176 8.812 1.00 0.00 N ATOM 0 H LYS A 11 -12.536 -1.835 9.931 1.00 0.00 H new ATOM 0 HA LYS A 11 -13.992 -3.581 8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -14.904 -1.826 9.876 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -14.389 -0.583 8.753 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -15.860 -1.463 6.993 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -16.244 -2.880 7.950 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -18.098 -1.326 8.212 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -17.224 -1.337 9.731 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -16.152 0.770 9.266 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -16.542 0.690 7.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -18.028 2.200 8.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -18.903 0.879 8.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -18.525 0.957 9.771 1.00 0.00 H new ATOM 186 N GLU A 12 -12.512 -1.101 6.699 1.00 0.00 N ATOM 187 CA GLU A 12 -12.116 -0.644 5.372 1.00 0.00 C ATOM 188 C GLU A 12 -11.238 -1.686 4.684 1.00 0.00 C ATOM 189 O GLU A 12 -11.398 -1.955 3.493 1.00 0.00 O ATOM 190 CB GLU A 12 -11.351 0.676 5.482 1.00 0.00 C ATOM 191 CG GLU A 12 -12.304 1.782 5.939 1.00 0.00 C ATOM 192 CD GLU A 12 -11.537 3.088 6.123 1.00 0.00 C ATOM 193 OE1 GLU A 12 -10.348 3.097 5.853 1.00 0.00 O ATOM 194 OE2 GLU A 12 -12.152 4.059 6.530 1.00 0.00 O ATOM 0 H GLU A 12 -12.147 -0.540 7.469 1.00 0.00 H new ATOM 0 HA GLU A 12 -13.017 -0.495 4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -10.529 0.574 6.190 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -10.911 0.935 4.519 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -13.097 1.917 5.204 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -12.783 1.497 6.876 1.00 0.00 H new ATOM 201 N ARG A 13 -10.313 -2.268 5.440 1.00 0.00 N ATOM 202 CA ARG A 13 -9.418 -3.279 4.889 1.00 0.00 C ATOM 203 C ARG A 13 -10.180 -4.566 4.588 1.00 0.00 C ATOM 204 O ARG A 13 -9.935 -5.222 3.576 1.00 0.00 O ATOM 205 CB ARG A 13 -8.291 -3.574 5.882 1.00 0.00 C ATOM 206 CG ARG A 13 -7.374 -2.353 5.988 1.00 0.00 C ATOM 207 CD ARG A 13 -6.310 -2.605 7.058 1.00 0.00 C ATOM 208 NE ARG A 13 -5.431 -3.695 6.651 1.00 0.00 N ATOM 209 CZ ARG A 13 -4.489 -4.160 7.465 1.00 0.00 C ATOM 210 NH1 ARG A 13 -4.340 -3.640 8.653 1.00 0.00 N ATOM 211 NH2 ARG A 13 -3.714 -5.134 7.077 1.00 0.00 N ATOM 0 H ARG A 13 -10.164 -2.060 6.427 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.996 -2.895 3.960 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.707 -3.816 6.860 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -7.721 -4.443 5.554 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.899 -2.157 5.027 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -7.957 -1.468 6.241 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -5.726 -1.699 7.220 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -6.789 -2.850 8.006 1.00 0.00 H new ATOM 0 HE ARG A 13 -5.541 -4.108 5.725 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -4.946 -2.878 8.956 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -3.617 -3.996 9.279 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -3.831 -5.539 6.148 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -2.991 -5.491 7.702 1.00 0.00 H new ATOM 225 N ALA A 14 -11.107 -4.921 5.473 1.00 0.00 N ATOM 226 CA ALA A 14 -11.898 -6.132 5.293 1.00 0.00 C ATOM 227 C ALA A 14 -12.936 -5.936 4.195 1.00 0.00 C ATOM 228 O ALA A 14 -13.577 -6.891 3.754 1.00 0.00 O ATOM 229 CB ALA A 14 -12.601 -6.496 6.603 1.00 0.00 C ATOM 0 H ALA A 14 -11.327 -4.391 6.316 1.00 0.00 H new ATOM 0 HA ALA A 14 -11.228 -6.941 5.003 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -13.190 -7.402 6.460 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -11.856 -6.666 7.381 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -13.258 -5.679 6.902 1.00 0.00 H new ATOM 235 N LYS A 15 -13.098 -4.694 3.756 1.00 0.00 N ATOM 236 CA LYS A 15 -14.064 -4.391 2.713 1.00 0.00 C ATOM 237 C LYS A 15 -13.721 -5.146 1.431 1.00 0.00 C ATOM 238 O LYS A 15 -14.605 -5.689 0.766 1.00 0.00 O ATOM 239 CB LYS A 15 -14.076 -2.884 2.432 1.00 0.00 C ATOM 240 CG LYS A 15 -15.208 -2.540 1.447 1.00 0.00 C ATOM 241 CD LYS A 15 -16.530 -2.408 2.211 1.00 0.00 C ATOM 242 CE LYS A 15 -17.602 -1.874 1.271 1.00 0.00 C ATOM 243 NZ LYS A 15 -18.889 -1.746 2.013 1.00 0.00 N ATOM 0 H LYS A 15 -12.577 -3.889 4.103 1.00 0.00 H new ATOM 0 HA LYS A 15 -15.050 -4.704 3.055 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -14.213 -2.333 3.363 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -13.116 -2.576 2.018 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.982 -1.609 0.928 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -15.291 -3.317 0.687 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.830 -3.376 2.611 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -16.407 -1.736 3.060 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -17.302 -0.905 0.871 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.724 -2.546 0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -19.624 -1.381 1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -19.176 -2.678 2.374 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.766 -1.089 2.810 1.00 0.00 H new ATOM 257 N VAL A 16 -12.441 -5.160 1.082 1.00 0.00 N ATOM 258 CA VAL A 16 -11.997 -5.844 -0.126 1.00 0.00 C ATOM 259 C VAL A 16 -12.899 -5.492 -1.305 1.00 0.00 C ATOM 260 O VAL A 16 -12.646 -4.529 -2.028 1.00 0.00 O ATOM 261 CB VAL A 16 -12.014 -7.356 0.098 1.00 0.00 C ATOM 262 CG1 VAL A 16 -11.556 -8.067 -1.176 1.00 0.00 C ATOM 263 CG2 VAL A 16 -11.068 -7.709 1.247 1.00 0.00 C ATOM 0 H VAL A 16 -11.697 -4.709 1.614 1.00 0.00 H new ATOM 0 HA VAL A 16 -10.981 -5.520 -0.353 1.00 0.00 H new ATOM 0 HB VAL A 16 -13.026 -7.676 0.347 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -11.568 -9.145 -1.016 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -12.229 -7.814 -1.996 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -10.544 -7.749 -1.426 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -11.078 -8.787 1.409 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -10.056 -7.389 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -11.394 -7.203 2.155 1.00 0.00 H new ATOM 273 N PHE A 17 -13.955 -6.280 -1.495 1.00 0.00 N ATOM 274 CA PHE A 17 -14.891 -6.042 -2.590 1.00 0.00 C ATOM 275 C PHE A 17 -16.284 -6.540 -2.222 1.00 0.00 C ATOM 276 O PHE A 17 -16.453 -7.283 -1.253 1.00 0.00 O ATOM 277 CB PHE A 17 -14.406 -6.751 -3.853 1.00 0.00 C ATOM 278 CG PHE A 17 -15.407 -6.537 -4.965 1.00 0.00 C ATOM 279 CD1 PHE A 17 -15.494 -5.292 -5.598 1.00 0.00 C ATOM 280 CD2 PHE A 17 -16.247 -7.585 -5.362 1.00 0.00 C ATOM 281 CE1 PHE A 17 -16.422 -5.094 -6.628 1.00 0.00 C ATOM 282 CE2 PHE A 17 -17.174 -7.387 -6.391 1.00 0.00 C ATOM 283 CZ PHE A 17 -17.261 -6.142 -7.025 1.00 0.00 C ATOM 0 H PHE A 17 -14.183 -7.083 -0.909 1.00 0.00 H new ATOM 0 HA PHE A 17 -14.941 -4.969 -2.775 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -13.430 -6.365 -4.148 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -14.282 -7.817 -3.660 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -14.846 -4.484 -5.292 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -16.179 -8.546 -4.874 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -16.490 -4.133 -7.116 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -17.823 -8.195 -6.696 1.00 0.00 H new ATOM 0 HZ PHE A 17 -17.975 -5.990 -7.821 1.00 0.00 H new ATOM 293 N ALA A 18 -17.278 -6.132 -3.003 1.00 0.00 N ATOM 294 CA ALA A 18 -18.653 -6.549 -2.753 1.00 0.00 C ATOM 295 C ALA A 18 -19.042 -6.262 -1.313 1.00 0.00 C ATOM 296 O ALA A 18 -18.209 -5.846 -0.505 1.00 0.00 O ATOM 297 CB ALA A 18 -18.807 -8.044 -3.033 1.00 0.00 C ATOM 0 H ALA A 18 -17.159 -5.518 -3.809 1.00 0.00 H new ATOM 0 HA ALA A 18 -19.309 -5.986 -3.417 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -19.837 -8.345 -2.843 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -18.555 -8.247 -4.074 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -18.138 -8.607 -2.382 1.00 0.00 H new ATOM 303 N LYS A 19 -20.322 -6.477 -0.993 1.00 0.00 N ATOM 304 CA LYS A 19 -20.815 -6.227 0.351 1.00 0.00 C ATOM 305 C LYS A 19 -21.665 -7.402 0.840 1.00 0.00 C ATOM 306 O LYS A 19 -22.737 -7.662 0.284 1.00 0.00 O ATOM 307 CB LYS A 19 -21.640 -4.947 0.394 1.00 0.00 C ATOM 308 CG LYS A 19 -20.739 -3.750 0.017 1.00 0.00 C ATOM 309 CD LYS A 19 -20.844 -3.491 -1.486 1.00 0.00 C ATOM 310 CE LYS A 19 -19.744 -2.525 -1.915 1.00 0.00 C ATOM 311 NZ LYS A 19 -19.954 -1.211 -1.246 1.00 0.00 N ATOM 0 H LYS A 19 -21.026 -6.821 -1.646 1.00 0.00 H new ATOM 0 HA LYS A 19 -19.953 -6.114 1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -22.480 -5.018 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -22.059 -4.803 1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -21.043 -2.863 0.572 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.705 -3.959 0.290 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -20.753 -4.429 -2.034 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.822 -3.075 -1.726 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -18.767 -2.928 -1.651 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.755 -2.401 -2.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.050 -0.466 -1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -20.819 -1.249 -0.670 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -19.140 -0.999 -0.634 1.00 0.00 H new ATOM 325 N PRO A 20 -21.216 -8.106 1.851 1.00 0.00 N ATOM 326 CA PRO A 20 -21.957 -9.267 2.408 1.00 0.00 C ATOM 327 C PRO A 20 -23.141 -8.835 3.263 1.00 0.00 C ATOM 328 O PRO A 20 -23.049 -7.874 4.027 1.00 0.00 O ATOM 329 CB PRO A 20 -20.895 -9.994 3.245 1.00 0.00 C ATOM 330 CG PRO A 20 -19.916 -8.936 3.653 1.00 0.00 C ATOM 331 CD PRO A 20 -19.955 -7.863 2.574 1.00 0.00 C ATOM 0 HA PRO A 20 -22.395 -9.894 1.632 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -21.342 -10.473 4.116 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -20.407 -10.778 2.666 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -20.181 -8.518 4.624 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -18.913 -9.353 3.748 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -19.934 -6.864 3.008 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -19.095 -7.939 1.908 1.00 0.00 H new ATOM 339 N ILE A 21 -24.244 -9.566 3.149 1.00 0.00 N ATOM 340 CA ILE A 21 -25.439 -9.257 3.928 1.00 0.00 C ATOM 341 C ILE A 21 -25.438 -10.038 5.239 1.00 0.00 C ATOM 342 O ILE A 21 -25.276 -11.258 5.249 1.00 0.00 O ATOM 343 CB ILE A 21 -26.689 -9.608 3.123 1.00 0.00 C ATOM 344 CG1 ILE A 21 -27.931 -9.138 3.885 1.00 0.00 C ATOM 345 CG2 ILE A 21 -26.761 -11.123 2.916 1.00 0.00 C ATOM 346 CD1 ILE A 21 -29.154 -9.223 2.970 1.00 0.00 C ATOM 0 H ILE A 21 -24.337 -10.371 2.530 1.00 0.00 H new ATOM 0 HA ILE A 21 -25.440 -8.191 4.153 1.00 0.00 H new ATOM 0 HB ILE A 21 -26.645 -9.114 2.152 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -28.083 -9.755 4.770 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -27.793 -8.114 4.230 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -27.654 -11.370 2.341 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -25.877 -11.459 2.374 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -26.804 -11.621 3.885 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -30.038 -8.888 3.512 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -29.001 -8.587 2.098 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -29.295 -10.254 2.647 1.00 0.00 H new ATOM 358 N GLY A 22 -25.619 -9.324 6.346 1.00 0.00 N ATOM 359 CA GLY A 22 -25.641 -9.960 7.660 1.00 0.00 C ATOM 360 C GLY A 22 -24.564 -11.029 7.764 1.00 0.00 C ATOM 361 O GLY A 22 -23.377 -10.727 7.679 1.00 0.00 O ATOM 0 H GLY A 22 -25.752 -8.313 6.361 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -25.489 -9.208 8.435 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -26.620 -10.406 7.836 1.00 0.00 H new ATOM 365 N ALA A 23 -24.988 -12.279 7.941 1.00 0.00 N ATOM 366 CA ALA A 23 -24.048 -13.392 8.049 1.00 0.00 C ATOM 367 C ALA A 23 -23.487 -13.480 9.464 1.00 0.00 C ATOM 368 O ALA A 23 -23.445 -12.487 10.188 1.00 0.00 O ATOM 369 CB ALA A 23 -22.899 -13.213 7.041 1.00 0.00 C ATOM 0 H ALA A 23 -25.970 -12.545 8.012 1.00 0.00 H new ATOM 0 HA ALA A 23 -24.579 -14.317 7.825 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -22.204 -14.048 7.130 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -23.304 -13.184 6.029 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -22.374 -12.280 7.249 1.00 0.00 H new ATOM 375 N SER A 24 -23.042 -14.671 9.843 1.00 0.00 N ATOM 376 CA SER A 24 -22.472 -14.883 11.168 1.00 0.00 C ATOM 377 C SER A 24 -21.016 -14.428 11.206 1.00 0.00 C ATOM 378 O SER A 24 -20.418 -14.320 12.278 1.00 0.00 O ATOM 379 CB SER A 24 -22.565 -16.357 11.550 1.00 0.00 C ATOM 380 OG SER A 24 -21.774 -17.125 10.655 1.00 0.00 O ATOM 0 H SER A 24 -23.064 -15.503 9.254 1.00 0.00 H new ATOM 0 HA SER A 24 -23.041 -14.291 11.885 1.00 0.00 H new ATOM 0 HB2 SER A 24 -22.220 -16.502 12.574 1.00 0.00 H new ATOM 0 HB3 SER A 24 -23.602 -16.689 11.513 1.00 0.00 H new ATOM 0 HG SER A 24 -21.830 -18.072 10.899 1.00 0.00 H new ATOM 386 N TYR A 25 -20.444 -14.185 10.032 1.00 0.00 N ATOM 387 CA TYR A 25 -19.052 -13.760 9.943 1.00 0.00 C ATOM 388 C TYR A 25 -18.876 -12.366 10.533 1.00 0.00 C ATOM 389 O TYR A 25 -17.767 -11.970 10.892 1.00 0.00 O ATOM 390 CB TYR A 25 -18.597 -13.758 8.482 1.00 0.00 C ATOM 391 CG TYR A 25 -18.469 -15.181 7.990 1.00 0.00 C ATOM 392 CD1 TYR A 25 -19.570 -15.825 7.415 1.00 0.00 C ATOM 393 CD2 TYR A 25 -17.248 -15.854 8.111 1.00 0.00 C ATOM 394 CE1 TYR A 25 -19.450 -17.144 6.959 1.00 0.00 C ATOM 395 CE2 TYR A 25 -17.127 -17.173 7.655 1.00 0.00 C ATOM 396 CZ TYR A 25 -18.228 -17.817 7.079 1.00 0.00 C ATOM 397 OH TYR A 25 -18.110 -19.117 6.630 1.00 0.00 O ATOM 0 H TYR A 25 -20.919 -14.274 9.134 1.00 0.00 H new ATOM 0 HA TYR A 25 -18.443 -14.462 10.512 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -19.314 -13.213 7.868 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -17.641 -13.243 8.389 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -20.512 -15.305 7.323 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -16.399 -15.356 8.556 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -20.300 -17.642 6.515 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -16.185 -17.693 7.748 1.00 0.00 H new ATOM 0 HH TYR A 25 -17.197 -19.436 6.787 1.00 0.00 H new ATOM 407 N GLN A 26 -19.977 -11.632 10.641 1.00 0.00 N ATOM 408 CA GLN A 26 -19.933 -10.285 11.198 1.00 0.00 C ATOM 409 C GLN A 26 -19.470 -10.322 12.651 1.00 0.00 C ATOM 410 O GLN A 26 -18.964 -9.333 13.172 1.00 0.00 O ATOM 411 CB GLN A 26 -21.319 -9.641 11.121 1.00 0.00 C ATOM 412 CG GLN A 26 -21.630 -9.276 9.669 1.00 0.00 C ATOM 413 CD GLN A 26 -23.033 -8.688 9.569 1.00 0.00 C ATOM 414 OE1 GLN A 26 -23.394 -8.116 8.541 1.00 0.00 O ATOM 415 NE2 GLN A 26 -23.848 -8.790 10.584 1.00 0.00 N ATOM 0 H GLN A 26 -20.905 -11.943 10.353 1.00 0.00 H new ATOM 0 HA GLN A 26 -19.225 -9.695 10.616 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -22.073 -10.328 11.504 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -21.353 -8.749 11.747 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -20.898 -8.557 9.301 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -21.552 -10.161 9.038 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -23.546 -9.265 11.435 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -24.787 -8.395 10.526 1.00 0.00 H new ATOM 424 N GLY A 27 -19.641 -11.470 13.296 1.00 0.00 N ATOM 425 CA GLY A 27 -19.233 -11.625 14.688 1.00 0.00 C ATOM 426 C GLY A 27 -17.742 -11.351 14.849 1.00 0.00 C ATOM 427 O GLY A 27 -17.285 -10.965 15.918 1.00 0.00 O ATOM 0 H GLY A 27 -20.057 -12.303 12.881 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -19.803 -10.941 15.317 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -19.460 -12.635 15.028 1.00 0.00 H new ATOM 431 N ILE A 28 -16.989 -11.561 13.779 1.00 0.00 N ATOM 432 CA ILE A 28 -15.548 -11.334 13.812 1.00 0.00 C ATOM 433 C ILE A 28 -15.238 -9.852 13.924 1.00 0.00 C ATOM 434 O ILE A 28 -14.331 -9.451 14.656 1.00 0.00 O ATOM 435 CB ILE A 28 -14.899 -11.899 12.544 1.00 0.00 C ATOM 436 CG1 ILE A 28 -15.327 -13.359 12.360 1.00 0.00 C ATOM 437 CG2 ILE A 28 -13.375 -11.830 12.672 1.00 0.00 C ATOM 438 CD1 ILE A 28 -14.993 -14.167 13.622 1.00 0.00 C ATOM 0 H ILE A 28 -17.347 -11.886 12.881 1.00 0.00 H new ATOM 0 HA ILE A 28 -15.143 -11.843 14.686 1.00 0.00 H new ATOM 0 HB ILE A 28 -15.218 -11.312 11.683 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -16.397 -13.410 12.158 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -14.819 -13.790 11.497 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -12.915 -12.232 11.769 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -13.068 -10.793 12.804 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -13.055 -12.416 13.534 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -15.301 -15.203 13.482 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -13.919 -14.129 13.805 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -15.522 -13.743 14.476 1.00 0.00 H new ATOM 450 N LEU A 29 -15.975 -9.039 13.174 1.00 0.00 N ATOM 451 CA LEU A 29 -15.749 -7.601 13.177 1.00 0.00 C ATOM 452 C LEU A 29 -16.591 -6.925 14.252 1.00 0.00 C ATOM 453 O LEU A 29 -16.156 -5.957 14.875 1.00 0.00 O ATOM 454 CB LEU A 29 -16.109 -7.018 11.806 1.00 0.00 C ATOM 455 CG LEU A 29 -15.680 -5.547 11.742 1.00 0.00 C ATOM 456 CD1 LEU A 29 -14.144 -5.450 11.700 1.00 0.00 C ATOM 457 CD2 LEU A 29 -16.269 -4.897 10.489 1.00 0.00 C ATOM 0 H LEU A 29 -16.728 -9.350 12.561 1.00 0.00 H new ATOM 0 HA LEU A 29 -14.696 -7.418 13.390 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.615 -7.586 11.017 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -17.182 -7.102 11.635 1.00 0.00 H new ATOM 0 HG LEU A 29 -16.046 -5.028 12.628 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.847 -4.402 11.655 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -13.726 -5.907 12.597 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -13.770 -5.972 10.819 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -15.964 -3.852 10.444 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -15.907 -5.419 9.604 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -17.357 -4.956 10.525 1.00 0.00 H new ATOM 469 N ASP A 30 -17.795 -7.431 14.458 1.00 0.00 N ATOM 470 CA ASP A 30 -18.691 -6.858 15.456 1.00 0.00 C ATOM 471 C ASP A 30 -18.059 -6.944 16.845 1.00 0.00 C ATOM 472 O ASP A 30 -18.255 -6.056 17.674 1.00 0.00 O ATOM 473 CB ASP A 30 -20.029 -7.612 15.446 1.00 0.00 C ATOM 474 CG ASP A 30 -20.949 -7.040 14.371 1.00 0.00 C ATOM 475 OD1 ASP A 30 -20.473 -6.248 13.573 1.00 0.00 O ATOM 476 OD2 ASP A 30 -22.113 -7.399 14.363 1.00 0.00 O ATOM 0 H ASP A 30 -18.175 -8.232 13.953 1.00 0.00 H new ATOM 0 HA ASP A 30 -18.866 -5.810 15.213 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -19.856 -8.672 15.260 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -20.506 -7.533 16.423 1.00 0.00 H new ATOM 481 N GLN A 31 -17.325 -8.020 17.094 1.00 0.00 N ATOM 482 CA GLN A 31 -16.687 -8.213 18.388 1.00 0.00 C ATOM 483 C GLN A 31 -15.645 -7.130 18.635 1.00 0.00 C ATOM 484 O GLN A 31 -15.506 -6.634 19.751 1.00 0.00 O ATOM 485 CB GLN A 31 -16.017 -9.584 18.445 1.00 0.00 C ATOM 486 CG GLN A 31 -15.642 -9.916 19.889 1.00 0.00 C ATOM 487 CD GLN A 31 -16.900 -10.240 20.688 1.00 0.00 C ATOM 488 OE1 GLN A 31 -17.018 -9.798 21.909 1.00 0.00 O flip ATOM 489 NE2 GLN A 31 -17.797 -10.920 20.188 1.00 0.00 N flip ATOM 0 H GLN A 31 -17.157 -8.768 16.421 1.00 0.00 H new ATOM 0 HA GLN A 31 -17.454 -8.152 19.160 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -16.690 -10.345 18.050 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -15.126 -9.590 17.817 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.958 -10.764 19.911 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.120 -9.073 20.342 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -17.703 -11.265 19.233 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -18.634 -11.138 20.729 1.00 0.00 H new ATOM 498 N LEU A 32 -14.923 -6.754 17.586 1.00 0.00 N ATOM 499 CA LEU A 32 -13.897 -5.726 17.715 1.00 0.00 C ATOM 500 C LEU A 32 -14.505 -4.412 18.184 1.00 0.00 C ATOM 501 O LEU A 32 -13.945 -3.742 19.050 1.00 0.00 O ATOM 502 CB LEU A 32 -13.206 -5.515 16.356 1.00 0.00 C ATOM 503 CG LEU A 32 -12.073 -6.545 16.179 1.00 0.00 C ATOM 504 CD1 LEU A 32 -11.840 -6.805 14.689 1.00 0.00 C ATOM 505 CD2 LEU A 32 -10.790 -5.993 16.808 1.00 0.00 C ATOM 0 H LEU A 32 -15.027 -7.140 16.647 1.00 0.00 H new ATOM 0 HA LEU A 32 -13.167 -6.056 18.455 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -13.932 -5.617 15.549 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -12.803 -4.504 16.296 1.00 0.00 H new ATOM 0 HG LEU A 32 -12.350 -7.480 16.667 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -11.038 -7.534 14.568 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.754 -7.193 14.240 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -11.561 -5.874 14.196 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -9.984 -6.717 16.686 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.516 -5.059 16.316 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.955 -5.809 17.870 1.00 0.00 H new ATOM 517 N ASP A 33 -15.648 -4.060 17.618 1.00 0.00 N ATOM 518 CA ASP A 33 -16.328 -2.829 17.999 1.00 0.00 C ATOM 519 C ASP A 33 -16.734 -2.882 19.469 1.00 0.00 C ATOM 520 O ASP A 33 -16.660 -1.881 20.182 1.00 0.00 O ATOM 521 CB ASP A 33 -17.567 -2.624 17.129 1.00 0.00 C ATOM 522 CG ASP A 33 -18.269 -1.328 17.519 1.00 0.00 C ATOM 523 OD1 ASP A 33 -17.867 -0.730 18.502 1.00 0.00 O ATOM 524 OD2 ASP A 33 -19.199 -0.951 16.827 1.00 0.00 O ATOM 0 H ASP A 33 -16.123 -4.604 16.898 1.00 0.00 H new ATOM 0 HA ASP A 33 -15.644 -1.993 17.851 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -17.282 -2.591 16.078 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -18.248 -3.466 17.248 1.00 0.00 H new ATOM 529 N LEU A 34 -17.168 -4.054 19.915 1.00 0.00 N ATOM 530 CA LEU A 34 -17.580 -4.230 21.301 1.00 0.00 C ATOM 531 C LEU A 34 -16.413 -4.011 22.245 1.00 0.00 C ATOM 532 O LEU A 34 -16.574 -3.438 23.313 1.00 0.00 O ATOM 533 CB LEU A 34 -18.152 -5.635 21.504 1.00 0.00 C ATOM 534 CG LEU A 34 -19.497 -5.757 20.776 1.00 0.00 C ATOM 535 CD1 LEU A 34 -19.988 -7.207 20.845 1.00 0.00 C ATOM 536 CD2 LEU A 34 -20.538 -4.830 21.439 1.00 0.00 C ATOM 0 H LEU A 34 -17.244 -4.893 19.340 1.00 0.00 H new ATOM 0 HA LEU A 34 -18.349 -3.490 21.524 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -17.453 -6.381 21.124 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -18.284 -5.834 22.568 1.00 0.00 H new ATOM 0 HG LEU A 34 -19.367 -5.465 19.734 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -20.944 -7.293 20.328 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -19.258 -7.861 20.369 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -20.112 -7.500 21.888 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -21.491 -4.921 20.918 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -20.667 -5.116 22.483 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -20.192 -3.798 21.385 1.00 0.00 H new ATOM 548 N VAL A 35 -15.243 -4.481 21.848 1.00 0.00 N ATOM 549 CA VAL A 35 -14.050 -4.336 22.670 1.00 0.00 C ATOM 550 C VAL A 35 -13.748 -2.862 22.919 1.00 0.00 C ATOM 551 O VAL A 35 -13.378 -2.472 24.026 1.00 0.00 O ATOM 552 CB VAL A 35 -12.853 -5.004 21.983 1.00 0.00 C ATOM 553 CG1 VAL A 35 -11.564 -4.650 22.733 1.00 0.00 C ATOM 554 CG2 VAL A 35 -13.042 -6.524 21.996 1.00 0.00 C ATOM 0 H VAL A 35 -15.092 -4.966 20.963 1.00 0.00 H new ATOM 0 HA VAL A 35 -14.230 -4.823 23.629 1.00 0.00 H new ATOM 0 HB VAL A 35 -12.784 -4.650 20.954 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -10.715 -5.126 22.242 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -11.426 -3.569 22.729 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -11.633 -5.003 23.762 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -12.192 -7.001 21.508 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.112 -6.873 23.026 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -13.957 -6.781 21.463 1.00 0.00 H new ATOM 564 N HIS A 36 -13.878 -2.054 21.874 1.00 0.00 N ATOM 565 CA HIS A 36 -13.594 -0.630 21.988 1.00 0.00 C ATOM 566 C HIS A 36 -14.697 0.075 22.763 1.00 0.00 C ATOM 567 O HIS A 36 -14.436 1.008 23.524 1.00 0.00 O ATOM 568 CB HIS A 36 -13.480 -0.011 20.591 1.00 0.00 C ATOM 569 CG HIS A 36 -12.247 -0.536 19.908 1.00 0.00 C ATOM 570 ND1 HIS A 36 -12.235 -1.746 19.233 1.00 0.00 N ATOM 571 CD2 HIS A 36 -10.978 -0.025 19.786 1.00 0.00 C ATOM 572 CE1 HIS A 36 -10.996 -1.923 18.740 1.00 0.00 C ATOM 573 NE2 HIS A 36 -10.189 -0.904 19.048 1.00 0.00 N ATOM 0 H HIS A 36 -14.175 -2.357 20.947 1.00 0.00 H new ATOM 0 HA HIS A 36 -12.652 -0.507 22.523 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -14.365 -0.251 20.002 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -13.432 1.075 20.666 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -13.022 -2.386 19.129 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -10.643 0.915 20.199 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -10.691 -2.785 18.165 1.00 0.00 H new ATOM 581 N GLN A 37 -15.933 -0.371 22.567 1.00 0.00 N ATOM 582 CA GLN A 37 -17.071 0.231 23.254 1.00 0.00 C ATOM 583 C GLN A 37 -17.235 -0.367 24.650 1.00 0.00 C ATOM 584 O GLN A 37 -17.805 0.261 25.540 1.00 0.00 O ATOM 585 CB GLN A 37 -18.348 0.001 22.442 1.00 0.00 C ATOM 586 CG GLN A 37 -19.521 0.718 23.117 1.00 0.00 C ATOM 587 CD GLN A 37 -20.794 0.513 22.305 1.00 0.00 C ATOM 588 OE1 GLN A 37 -21.238 -0.620 22.120 1.00 0.00 O ATOM 589 NE2 GLN A 37 -21.414 1.549 21.810 1.00 0.00 N ATOM 0 H GLN A 37 -16.172 -1.142 21.943 1.00 0.00 H new ATOM 0 HA GLN A 37 -16.890 1.301 23.352 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -18.217 0.373 21.426 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -18.556 -1.066 22.366 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -19.659 0.335 24.128 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -19.304 1.783 23.207 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -21.044 2.487 21.965 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -22.269 1.421 21.268 1.00 0.00 H new ATOM 598 N ALA A 38 -16.742 -1.585 24.827 1.00 0.00 N ATOM 599 CA ALA A 38 -16.840 -2.263 26.111 1.00 0.00 C ATOM 600 C ALA A 38 -15.812 -1.716 27.091 1.00 0.00 C ATOM 601 O ALA A 38 -14.779 -1.183 26.689 1.00 0.00 O ATOM 602 CB ALA A 38 -16.621 -3.765 25.934 1.00 0.00 C ATOM 0 H ALA A 38 -16.271 -2.122 24.099 1.00 0.00 H new ATOM 0 HA ALA A 38 -17.839 -2.085 26.510 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -16.697 -4.260 26.902 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -17.378 -4.166 25.261 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -15.631 -3.941 25.513 1.00 0.00 H new ATOM 608 N LYS A 39 -16.103 -1.848 28.380 1.00 0.00 N ATOM 609 CA LYS A 39 -15.200 -1.349 29.414 1.00 0.00 C ATOM 610 C LYS A 39 -15.439 -2.089 30.729 1.00 0.00 C ATOM 611 O LYS A 39 -16.573 -2.373 31.108 1.00 0.00 O ATOM 612 CB LYS A 39 -15.406 0.166 29.622 1.00 0.00 C ATOM 613 CG LYS A 39 -16.834 0.554 29.223 1.00 0.00 C ATOM 614 CD LYS A 39 -17.837 -0.189 30.112 1.00 0.00 C ATOM 615 CE LYS A 39 -19.183 0.524 30.073 1.00 0.00 C ATOM 616 NZ LYS A 39 -19.034 1.888 30.653 1.00 0.00 N ATOM 0 H LYS A 39 -16.950 -2.293 28.734 1.00 0.00 H new ATOM 0 HA LYS A 39 -14.175 -1.525 29.089 1.00 0.00 H new ATOM 0 HB2 LYS A 39 -15.226 0.427 30.665 1.00 0.00 H new ATOM 0 HB3 LYS A 39 -14.687 0.726 29.024 1.00 0.00 H new ATOM 0 HG2 LYS A 39 -16.971 1.631 29.325 1.00 0.00 H new ATOM 0 HG3 LYS A 39 -17.009 0.308 28.176 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -17.949 -1.218 29.769 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -17.467 -0.233 31.136 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -19.543 0.590 29.046 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -19.925 -0.044 30.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -19.925 2.171 31.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -18.270 1.884 31.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -18.802 2.563 29.897 1.00 0.00 H new ATOM 630 N GLY A 40 -14.360 -2.387 31.434 1.00 0.00 N ATOM 631 CA GLY A 40 -14.463 -3.087 32.710 1.00 0.00 C ATOM 632 C GLY A 40 -14.435 -4.595 32.504 1.00 0.00 C ATOM 633 O GLY A 40 -13.655 -5.106 31.707 1.00 0.00 O ATOM 0 H GLY A 40 -13.408 -2.158 31.150 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.641 -2.789 33.361 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.387 -2.801 33.213 1.00 0.00 H new ATOM 637 N ARG A 41 -15.287 -5.302 33.235 1.00 0.00 N ATOM 638 CA ARG A 41 -15.349 -6.754 33.131 1.00 0.00 C ATOM 639 C ARG A 41 -15.794 -7.175 31.735 1.00 0.00 C ATOM 640 O ARG A 41 -15.302 -8.163 31.187 1.00 0.00 O ATOM 641 CB ARG A 41 -16.323 -7.314 34.172 1.00 0.00 C ATOM 642 CG ARG A 41 -16.297 -8.846 34.129 1.00 0.00 C ATOM 643 CD ARG A 41 -17.330 -9.401 35.108 1.00 0.00 C ATOM 644 NE ARG A 41 -17.213 -10.852 35.197 1.00 0.00 N ATOM 645 CZ ARG A 41 -18.180 -11.589 35.733 1.00 0.00 C ATOM 646 NH1 ARG A 41 -19.258 -11.016 36.194 1.00 0.00 N ATOM 647 NH2 ARG A 41 -18.052 -12.886 35.798 1.00 0.00 N ATOM 0 H ARG A 41 -15.942 -4.896 33.903 1.00 0.00 H new ATOM 0 HA ARG A 41 -14.352 -7.154 33.316 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -16.049 -6.963 35.167 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -17.332 -6.952 33.973 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -16.513 -9.196 33.119 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -15.303 -9.211 34.387 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -17.184 -8.956 36.092 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -18.334 -9.129 34.781 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.374 -11.309 34.841 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -19.358 -10.002 36.143 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -20.000 -11.582 36.605 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.210 -13.334 35.437 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.794 -13.452 36.209 1.00 0.00 H new ATOM 661 N ASP A 42 -16.748 -6.441 31.177 1.00 0.00 N ATOM 662 CA ASP A 42 -17.276 -6.769 29.859 1.00 0.00 C ATOM 663 C ASP A 42 -16.174 -6.702 28.808 1.00 0.00 C ATOM 664 O ASP A 42 -16.262 -7.349 27.765 1.00 0.00 O ATOM 665 CB ASP A 42 -18.395 -5.791 29.490 1.00 0.00 C ATOM 666 CG ASP A 42 -17.826 -4.388 29.308 1.00 0.00 C ATOM 667 OD1 ASP A 42 -16.673 -4.192 29.645 1.00 0.00 O ATOM 668 OD2 ASP A 42 -18.549 -3.532 28.829 1.00 0.00 O ATOM 0 H ASP A 42 -17.169 -5.621 31.612 1.00 0.00 H new ATOM 0 HA ASP A 42 -17.672 -7.784 29.888 1.00 0.00 H new ATOM 0 HB2 ASP A 42 -18.884 -6.116 28.571 1.00 0.00 H new ATOM 0 HB3 ASP A 42 -19.155 -5.785 30.271 1.00 0.00 H new ATOM 673 N GLN A 43 -15.138 -5.922 29.091 1.00 0.00 N ATOM 674 CA GLN A 43 -14.022 -5.781 28.164 1.00 0.00 C ATOM 675 C GLN A 43 -13.247 -7.090 28.055 1.00 0.00 C ATOM 676 O GLN A 43 -12.802 -7.472 26.975 1.00 0.00 O ATOM 677 CB GLN A 43 -13.089 -4.667 28.635 1.00 0.00 C ATOM 678 CG GLN A 43 -11.970 -4.473 27.612 1.00 0.00 C ATOM 679 CD GLN A 43 -11.133 -3.252 27.980 1.00 0.00 C ATOM 680 OE1 GLN A 43 -11.559 -2.428 28.790 1.00 0.00 O ATOM 681 NE2 GLN A 43 -9.963 -3.085 27.430 1.00 0.00 N ATOM 0 H GLN A 43 -15.047 -5.380 29.950 1.00 0.00 H new ATOM 0 HA GLN A 43 -14.420 -5.527 27.181 1.00 0.00 H new ATOM 0 HB2 GLN A 43 -13.647 -3.739 28.760 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -12.667 -4.918 29.608 1.00 0.00 H new ATOM 0 HG2 GLN A 43 -11.338 -5.361 27.579 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -12.394 -4.347 26.616 1.00 0.00 H new ATOM 0 HE21 GLN A 43 -9.612 -3.769 26.759 1.00 0.00 H new ATOM 0 HE22 GLN A 43 -9.398 -2.270 27.670 1.00 0.00 H new ATOM 690 N ILE A 44 -13.092 -7.772 29.181 1.00 0.00 N ATOM 691 CA ILE A 44 -12.379 -9.042 29.208 1.00 0.00 C ATOM 692 C ILE A 44 -13.122 -10.090 28.388 1.00 0.00 C ATOM 693 O ILE A 44 -12.513 -10.860 27.652 1.00 0.00 O ATOM 694 CB ILE A 44 -12.205 -9.530 30.648 1.00 0.00 C ATOM 695 CG1 ILE A 44 -11.166 -8.656 31.359 1.00 0.00 C ATOM 696 CG2 ILE A 44 -11.736 -10.987 30.654 1.00 0.00 C ATOM 697 CD1 ILE A 44 -11.685 -7.223 31.485 1.00 0.00 C ATOM 0 H ILE A 44 -13.450 -7.468 30.087 1.00 0.00 H new ATOM 0 HA ILE A 44 -11.393 -8.888 28.769 1.00 0.00 H new ATOM 0 HB ILE A 44 -13.161 -9.461 31.167 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -10.952 -9.062 32.348 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -10.229 -8.664 30.802 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -11.615 -11.326 31.683 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -12.476 -11.610 30.152 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -10.782 -11.064 30.132 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -10.940 -6.609 31.991 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -11.876 -6.816 30.492 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -12.610 -7.220 32.062 1.00 0.00 H new ATOM 709 N ALA A 45 -14.437 -10.133 28.551 1.00 0.00 N ATOM 710 CA ALA A 45 -15.248 -11.111 27.840 1.00 0.00 C ATOM 711 C ALA A 45 -15.022 -11.008 26.338 1.00 0.00 C ATOM 712 O ALA A 45 -14.683 -11.993 25.683 1.00 0.00 O ATOM 713 CB ALA A 45 -16.730 -10.877 28.148 1.00 0.00 C ATOM 0 H ALA A 45 -14.961 -9.508 29.164 1.00 0.00 H new ATOM 0 HA ALA A 45 -14.955 -12.107 28.172 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -17.333 -11.611 27.614 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -16.899 -10.979 29.220 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -17.014 -9.874 27.830 1.00 0.00 H new ATOM 719 N ALA A 46 -15.200 -9.808 25.796 1.00 0.00 N ATOM 720 CA ALA A 46 -15.005 -9.586 24.368 1.00 0.00 C ATOM 721 C ALA A 46 -13.560 -9.844 23.979 1.00 0.00 C ATOM 722 O ALA A 46 -13.288 -10.458 22.949 1.00 0.00 O ATOM 723 CB ALA A 46 -15.391 -8.151 24.009 1.00 0.00 C ATOM 0 H ALA A 46 -15.477 -8.978 26.321 1.00 0.00 H new ATOM 0 HA ALA A 46 -15.641 -10.280 23.819 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -15.243 -7.991 22.941 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -16.438 -7.982 24.260 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -14.767 -7.455 24.570 1.00 0.00 H new ATOM 729 N SER A 47 -12.634 -9.369 24.803 1.00 0.00 N ATOM 730 CA SER A 47 -11.218 -9.555 24.526 1.00 0.00 C ATOM 731 C SER A 47 -10.852 -11.036 24.531 1.00 0.00 C ATOM 732 O SER A 47 -10.213 -11.532 23.605 1.00 0.00 O ATOM 733 CB SER A 47 -10.381 -8.813 25.573 1.00 0.00 C ATOM 734 OG SER A 47 -10.286 -7.441 25.216 1.00 0.00 O ATOM 0 H SER A 47 -12.837 -8.856 25.661 1.00 0.00 H new ATOM 0 HA SER A 47 -11.007 -9.150 23.536 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.838 -8.913 26.557 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.386 -9.253 25.637 1.00 0.00 H new ATOM 0 HG SER A 47 -11.026 -6.945 25.624 1.00 0.00 H new ATOM 740 N PHE A 48 -11.256 -11.731 25.586 1.00 0.00 N ATOM 741 CA PHE A 48 -10.969 -13.152 25.707 1.00 0.00 C ATOM 742 C PHE A 48 -11.670 -13.940 24.608 1.00 0.00 C ATOM 743 O PHE A 48 -11.072 -14.810 23.976 1.00 0.00 O ATOM 744 CB PHE A 48 -11.419 -13.664 27.077 1.00 0.00 C ATOM 745 CG PHE A 48 -11.121 -15.142 27.187 1.00 0.00 C ATOM 746 CD1 PHE A 48 -9.811 -15.577 27.427 1.00 0.00 C ATOM 747 CD2 PHE A 48 -12.153 -16.078 27.047 1.00 0.00 C ATOM 748 CE1 PHE A 48 -9.536 -16.945 27.529 1.00 0.00 C ATOM 749 CE2 PHE A 48 -11.878 -17.445 27.149 1.00 0.00 C ATOM 750 CZ PHE A 48 -10.570 -17.880 27.389 1.00 0.00 C ATOM 0 H PHE A 48 -11.781 -11.335 26.366 1.00 0.00 H new ATOM 0 HA PHE A 48 -9.893 -13.293 25.605 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -10.904 -13.119 27.868 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -12.486 -13.487 27.211 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -9.014 -14.856 27.533 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -13.163 -15.744 26.860 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -8.526 -17.280 27.716 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -12.675 -18.165 27.043 1.00 0.00 H new ATOM 0 HZ PHE A 48 -10.358 -18.936 27.466 1.00 0.00 H new ATOM 760 N GLU A 49 -12.949 -13.639 24.400 1.00 0.00 N ATOM 761 CA GLU A 49 -13.733 -14.340 23.389 1.00 0.00 C ATOM 762 C GLU A 49 -13.211 -14.020 21.993 1.00 0.00 C ATOM 763 O GLU A 49 -13.180 -14.885 21.119 1.00 0.00 O ATOM 764 CB GLU A 49 -15.203 -13.930 23.493 1.00 0.00 C ATOM 765 CG GLU A 49 -16.056 -14.874 22.646 1.00 0.00 C ATOM 766 CD GLU A 49 -17.524 -14.470 22.732 1.00 0.00 C ATOM 767 OE1 GLU A 49 -17.791 -13.381 23.212 1.00 0.00 O ATOM 768 OE2 GLU A 49 -18.360 -15.257 22.317 1.00 0.00 O ATOM 0 H GLU A 49 -13.460 -12.921 24.913 1.00 0.00 H new ATOM 0 HA GLU A 49 -13.642 -15.412 23.562 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -15.528 -13.963 24.533 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -15.330 -12.903 23.152 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -15.723 -14.846 21.609 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -15.932 -15.900 22.993 1.00 0.00 H new ATOM 775 N LEU A 50 -12.795 -12.776 21.796 1.00 0.00 N ATOM 776 CA LEU A 50 -12.271 -12.359 20.509 1.00 0.00 C ATOM 777 C LEU A 50 -11.044 -13.184 20.136 1.00 0.00 C ATOM 778 O LEU A 50 -10.852 -13.540 18.973 1.00 0.00 O ATOM 779 CB LEU A 50 -11.904 -10.870 20.545 1.00 0.00 C ATOM 780 CG LEU A 50 -11.236 -10.463 19.226 1.00 0.00 C ATOM 781 CD1 LEU A 50 -12.153 -10.828 18.049 1.00 0.00 C ATOM 782 CD2 LEU A 50 -10.983 -8.953 19.227 1.00 0.00 C ATOM 0 H LEU A 50 -12.811 -12.045 22.507 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.043 -12.520 19.756 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -12.799 -10.270 20.709 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -11.231 -10.673 21.379 1.00 0.00 H new ATOM 0 HG LEU A 50 -10.288 -10.991 19.123 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.676 -10.538 17.113 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.332 -11.903 18.047 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -13.102 -10.302 18.151 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.508 -8.663 18.290 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.931 -8.425 19.332 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.329 -8.694 20.060 1.00 0.00 H new ATOM 794 N ASN A 51 -10.207 -13.464 21.125 1.00 0.00 N ATOM 795 CA ASN A 51 -8.992 -14.234 20.885 1.00 0.00 C ATOM 796 C ASN A 51 -9.338 -15.590 20.282 1.00 0.00 C ATOM 797 O ASN A 51 -8.677 -16.053 19.353 1.00 0.00 O ATOM 798 CB ASN A 51 -8.241 -14.439 22.202 1.00 0.00 C ATOM 799 CG ASN A 51 -7.016 -15.317 21.972 1.00 0.00 C ATOM 800 OD1 ASN A 51 -7.171 -16.536 21.531 1.00 0.00 O flip ATOM 801 ND2 ASN A 51 -5.887 -14.883 22.200 1.00 0.00 N flip ATOM 0 H ASN A 51 -10.344 -13.173 22.093 1.00 0.00 H new ATOM 0 HA ASN A 51 -8.361 -13.684 20.187 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -7.937 -13.475 22.610 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.899 -14.903 22.937 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -5.767 -13.931 22.545 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -5.072 -15.476 22.044 1.00 0.00 H new ATOM 808 N LYS A 52 -10.382 -16.220 20.811 1.00 0.00 N ATOM 809 CA LYS A 52 -10.816 -17.516 20.307 1.00 0.00 C ATOM 810 C LYS A 52 -11.302 -17.401 18.867 1.00 0.00 C ATOM 811 O LYS A 52 -11.034 -18.272 18.037 1.00 0.00 O ATOM 812 CB LYS A 52 -11.932 -18.075 21.182 1.00 0.00 C ATOM 813 CG LYS A 52 -11.361 -18.484 22.542 1.00 0.00 C ATOM 814 CD LYS A 52 -12.444 -19.194 23.365 1.00 0.00 C ATOM 815 CE LYS A 52 -13.416 -18.162 23.944 1.00 0.00 C ATOM 816 NZ LYS A 52 -14.343 -18.834 24.892 1.00 0.00 N ATOM 0 H LYS A 52 -10.940 -15.856 21.584 1.00 0.00 H new ATOM 0 HA LYS A 52 -9.963 -18.194 20.335 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -12.714 -17.327 21.314 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -12.393 -18.935 20.696 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.504 -19.144 22.404 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -11.003 -17.604 23.076 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -12.984 -19.903 22.738 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -11.984 -19.766 24.171 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -12.864 -17.373 24.455 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -13.980 -17.687 23.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -15.004 -18.134 25.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -14.878 -19.571 24.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -13.797 -19.267 25.664 1.00 0.00 H new ATOM 830 N LYS A 53 -12.024 -16.325 18.579 1.00 0.00 N ATOM 831 CA LYS A 53 -12.548 -16.112 17.237 1.00 0.00 C ATOM 832 C LYS A 53 -11.417 -16.023 16.224 1.00 0.00 C ATOM 833 O LYS A 53 -11.484 -16.627 15.152 1.00 0.00 O ATOM 834 CB LYS A 53 -13.370 -14.817 17.197 1.00 0.00 C ATOM 835 CG LYS A 53 -14.712 -15.031 17.893 1.00 0.00 C ATOM 836 CD LYS A 53 -15.531 -13.739 17.832 1.00 0.00 C ATOM 837 CE LYS A 53 -16.840 -13.931 18.592 1.00 0.00 C ATOM 838 NZ LYS A 53 -17.692 -14.925 17.879 1.00 0.00 N ATOM 0 H LYS A 53 -12.258 -15.593 19.250 1.00 0.00 H new ATOM 0 HA LYS A 53 -13.184 -16.959 16.980 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -12.821 -14.012 17.686 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -13.531 -14.510 16.164 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -15.258 -15.843 17.412 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -14.553 -15.325 18.931 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -14.964 -12.915 18.265 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -15.736 -13.474 16.795 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -16.636 -14.273 19.607 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -17.366 -12.980 18.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -18.673 -14.847 18.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -17.662 -14.738 16.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -17.337 -15.884 18.066 1.00 0.00 H new ATOM 852 N ILE A 54 -10.376 -15.276 16.568 1.00 0.00 N ATOM 853 CA ILE A 54 -9.242 -15.118 15.671 1.00 0.00 C ATOM 854 C ILE A 54 -8.521 -16.449 15.480 1.00 0.00 C ATOM 855 O ILE A 54 -8.179 -16.824 14.358 1.00 0.00 O ATOM 856 CB ILE A 54 -8.266 -14.086 16.249 1.00 0.00 C ATOM 857 CG1 ILE A 54 -8.921 -12.702 16.234 1.00 0.00 C ATOM 858 CG2 ILE A 54 -6.983 -14.054 15.398 1.00 0.00 C ATOM 859 CD1 ILE A 54 -8.095 -11.736 17.087 1.00 0.00 C ATOM 0 H ILE A 54 -10.294 -14.775 17.453 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.609 -14.775 14.704 1.00 0.00 H new ATOM 0 HB ILE A 54 -8.014 -14.360 17.273 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -8.990 -12.332 15.211 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -9.938 -12.765 16.620 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -6.291 -13.320 15.811 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -6.516 -15.039 15.407 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -7.233 -13.781 14.373 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -8.562 -10.751 17.076 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -8.049 -12.104 18.112 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -7.086 -11.664 16.681 1.00 0.00 H new ATOM 871 N ASN A 55 -8.296 -17.158 16.578 1.00 0.00 N ATOM 872 CA ASN A 55 -7.621 -18.448 16.514 1.00 0.00 C ATOM 873 C ASN A 55 -8.450 -19.444 15.708 1.00 0.00 C ATOM 874 O ASN A 55 -7.923 -20.166 14.863 1.00 0.00 O ATOM 875 CB ASN A 55 -7.400 -18.991 17.930 1.00 0.00 C ATOM 876 CG ASN A 55 -6.238 -18.262 18.594 1.00 0.00 C ATOM 877 OD1 ASN A 55 -5.391 -17.695 17.908 1.00 0.00 O ATOM 878 ND2 ASN A 55 -6.150 -18.241 19.894 1.00 0.00 N ATOM 0 H ASN A 55 -8.568 -16.865 17.516 1.00 0.00 H new ATOM 0 HA ASN A 55 -6.658 -18.312 16.023 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -8.306 -18.863 18.522 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -7.193 -20.060 17.890 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -5.376 -17.753 20.345 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.855 -18.713 20.461 1.00 0.00 H new ATOM 885 N ASP A 56 -9.750 -19.481 15.983 1.00 0.00 N ATOM 886 CA ASP A 56 -10.644 -20.388 15.279 1.00 0.00 C ATOM 887 C ASP A 56 -10.733 -20.022 13.803 1.00 0.00 C ATOM 888 O ASP A 56 -10.741 -20.892 12.937 1.00 0.00 O ATOM 889 CB ASP A 56 -12.039 -20.346 15.909 1.00 0.00 C ATOM 890 CG ASP A 56 -12.025 -21.050 17.263 1.00 0.00 C ATOM 891 OD1 ASP A 56 -11.062 -21.747 17.539 1.00 0.00 O ATOM 892 OD2 ASP A 56 -12.979 -20.884 18.004 1.00 0.00 O ATOM 0 H ASP A 56 -10.204 -18.896 16.685 1.00 0.00 H new ATOM 0 HA ASP A 56 -10.242 -21.398 15.363 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -12.360 -19.312 16.032 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -12.760 -20.827 15.248 1.00 0.00 H new ATOM 897 N TYR A 57 -10.813 -18.726 13.529 1.00 0.00 N ATOM 898 CA TYR A 57 -10.923 -18.251 12.157 1.00 0.00 C ATOM 899 C TYR A 57 -9.732 -18.728 11.333 1.00 0.00 C ATOM 900 O TYR A 57 -9.891 -19.179 10.199 1.00 0.00 O ATOM 901 CB TYR A 57 -10.981 -16.722 12.137 1.00 0.00 C ATOM 902 CG TYR A 57 -11.227 -16.245 10.722 1.00 0.00 C ATOM 903 CD1 TYR A 57 -12.485 -16.425 10.135 1.00 0.00 C ATOM 904 CD2 TYR A 57 -10.200 -15.626 10.001 1.00 0.00 C ATOM 905 CE1 TYR A 57 -12.717 -15.982 8.828 1.00 0.00 C ATOM 906 CE2 TYR A 57 -10.432 -15.184 8.694 1.00 0.00 C ATOM 907 CZ TYR A 57 -11.689 -15.363 8.106 1.00 0.00 C ATOM 908 OH TYR A 57 -11.917 -14.928 6.817 1.00 0.00 O ATOM 0 H TYR A 57 -10.804 -17.989 14.234 1.00 0.00 H new ATOM 0 HA TYR A 57 -11.838 -18.654 11.722 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -11.775 -16.369 12.794 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -10.047 -16.307 12.515 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -13.276 -16.906 10.691 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -9.229 -15.489 10.453 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -13.689 -16.117 8.376 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -9.640 -14.704 8.138 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.100 -14.520 6.460 1.00 0.00 H new ATOM 918 N ILE A 58 -8.541 -18.625 11.910 1.00 0.00 N ATOM 919 CA ILE A 58 -7.332 -19.049 11.216 1.00 0.00 C ATOM 920 C ILE A 58 -7.373 -20.548 10.935 1.00 0.00 C ATOM 921 O ILE A 58 -7.042 -20.991 9.837 1.00 0.00 O ATOM 922 CB ILE A 58 -6.103 -18.724 12.071 1.00 0.00 C ATOM 923 CG1 ILE A 58 -5.938 -17.205 12.167 1.00 0.00 C ATOM 924 CG2 ILE A 58 -4.852 -19.331 11.423 1.00 0.00 C ATOM 925 CD1 ILE A 58 -4.954 -16.869 13.290 1.00 0.00 C ATOM 0 H ILE A 58 -8.387 -18.255 12.848 1.00 0.00 H new ATOM 0 HA ILE A 58 -7.271 -18.514 10.268 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.235 -19.142 13.069 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -5.575 -16.807 11.219 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -6.902 -16.735 12.361 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -3.978 -19.099 12.032 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.968 -20.412 11.351 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -4.720 -18.913 10.425 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -4.836 -15.788 13.359 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -5.336 -17.253 14.236 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -3.988 -17.326 13.076 1.00 0.00 H new ATOM 937 N ALA A 59 -7.780 -21.323 11.933 1.00 0.00 N ATOM 938 CA ALA A 59 -7.853 -22.771 11.783 1.00 0.00 C ATOM 939 C ALA A 59 -8.869 -23.146 10.711 1.00 0.00 C ATOM 940 O ALA A 59 -8.651 -24.075 9.933 1.00 0.00 O ATOM 941 CB ALA A 59 -8.249 -23.416 13.113 1.00 0.00 C ATOM 0 H ALA A 59 -8.063 -20.976 12.849 1.00 0.00 H new ATOM 0 HA ALA A 59 -6.871 -23.136 11.482 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -8.301 -24.498 12.991 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -7.505 -23.171 13.872 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -9.223 -23.039 13.425 1.00 0.00 H new ATOM 947 N GLU A 60 -9.982 -22.422 10.680 1.00 0.00 N ATOM 948 CA GLU A 60 -11.027 -22.687 9.700 1.00 0.00 C ATOM 949 C GLU A 60 -10.572 -22.288 8.304 1.00 0.00 C ATOM 950 O GLU A 60 -10.822 -23.000 7.331 1.00 0.00 O ATOM 951 CB GLU A 60 -12.294 -21.912 10.064 1.00 0.00 C ATOM 952 CG GLU A 60 -12.914 -22.508 11.328 1.00 0.00 C ATOM 953 CD GLU A 60 -14.126 -21.684 11.753 1.00 0.00 C ATOM 954 OE1 GLU A 60 -14.475 -20.765 11.032 1.00 0.00 O ATOM 955 OE2 GLU A 60 -14.690 -21.990 12.791 1.00 0.00 O ATOM 0 H GLU A 60 -10.183 -21.652 11.318 1.00 0.00 H new ATOM 0 HA GLU A 60 -11.238 -23.756 9.708 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -12.056 -20.861 10.225 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -13.008 -21.955 9.241 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -13.212 -23.540 11.145 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -12.177 -22.526 12.131 1.00 0.00 H new ATOM 962 N HIS A 61 -9.900 -21.145 8.209 1.00 0.00 N ATOM 963 CA HIS A 61 -9.412 -20.653 6.920 1.00 0.00 C ATOM 964 C HIS A 61 -7.998 -20.092 7.060 1.00 0.00 C ATOM 965 O HIS A 61 -7.790 -18.882 6.975 1.00 0.00 O ATOM 966 CB HIS A 61 -10.352 -19.570 6.390 1.00 0.00 C ATOM 967 CG HIS A 61 -11.773 -19.936 6.713 1.00 0.00 C ATOM 968 ND1 HIS A 61 -12.650 -20.816 6.128 1.00 0.00 N flip ATOM 969 CD2 HIS A 61 -12.460 -19.361 7.768 1.00 0.00 C flip ATOM 970 CE1 HIS A 61 -13.864 -20.787 6.809 1.00 0.00 C flip ATOM 971 NE2 HIS A 61 -13.695 -19.894 7.788 1.00 0.00 N flip ATOM 0 H HIS A 61 -9.681 -20.543 9.003 1.00 0.00 H new ATOM 0 HA HIS A 61 -9.386 -21.485 6.216 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -10.103 -18.607 6.837 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -10.229 -19.463 5.312 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -12.074 -18.619 8.451 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -14.752 -21.363 6.592 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -14.414 -19.647 8.468 1.00 0.00 H new ATOM 979 N PRO A 62 -7.035 -20.946 7.280 1.00 0.00 N ATOM 980 CA PRO A 62 -5.613 -20.531 7.438 1.00 0.00 C ATOM 981 C PRO A 62 -4.976 -20.150 6.107 1.00 0.00 C ATOM 982 O PRO A 62 -3.909 -19.538 6.072 1.00 0.00 O ATOM 983 CB PRO A 62 -4.940 -21.767 8.046 1.00 0.00 C ATOM 984 CG PRO A 62 -5.776 -22.931 7.606 1.00 0.00 C ATOM 985 CD PRO A 62 -7.200 -22.405 7.390 1.00 0.00 C ATOM 0 HA PRO A 62 -5.509 -19.641 8.059 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -3.912 -21.867 7.697 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -4.902 -21.699 9.133 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -5.381 -23.363 6.687 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -5.766 -23.719 8.359 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -7.647 -22.824 6.488 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -7.853 -22.670 8.222 1.00 0.00 H new ATOM 993 N THR A 63 -5.624 -20.535 5.012 1.00 0.00 N ATOM 994 CA THR A 63 -5.101 -20.241 3.680 1.00 0.00 C ATOM 995 C THR A 63 -5.784 -19.009 3.102 1.00 0.00 C ATOM 996 O THR A 63 -5.509 -18.609 1.971 1.00 0.00 O ATOM 997 CB THR A 63 -5.330 -21.438 2.753 1.00 0.00 C ATOM 998 OG1 THR A 63 -6.719 -21.723 2.683 1.00 0.00 O ATOM 999 CG2 THR A 63 -4.581 -22.658 3.295 1.00 0.00 C ATOM 0 H THR A 63 -6.506 -21.048 5.019 1.00 0.00 H new ATOM 0 HA THR A 63 -4.032 -20.047 3.762 1.00 0.00 H new ATOM 0 HB THR A 63 -4.958 -21.201 1.756 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.866 -22.488 2.088 1.00 0.00 H new ATOM 0 HG21 THR A 63 -4.745 -23.509 2.634 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.515 -22.438 3.345 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.949 -22.897 4.293 1.00 0.00 H new ATOM 1007 N SER A 64 -6.673 -18.410 3.885 1.00 0.00 N ATOM 1008 CA SER A 64 -7.387 -17.218 3.442 1.00 0.00 C ATOM 1009 C SER A 64 -6.415 -16.074 3.182 1.00 0.00 C ATOM 1010 O SER A 64 -6.621 -15.264 2.278 1.00 0.00 O ATOM 1011 CB SER A 64 -8.404 -16.794 4.501 1.00 0.00 C ATOM 1012 OG SER A 64 -7.728 -16.528 5.723 1.00 0.00 O ATOM 0 H SER A 64 -6.916 -18.727 4.824 1.00 0.00 H new ATOM 0 HA SER A 64 -7.906 -17.455 2.514 1.00 0.00 H new ATOM 0 HB2 SER A 64 -8.942 -15.906 4.169 1.00 0.00 H new ATOM 0 HB3 SER A 64 -9.145 -17.581 4.646 1.00 0.00 H new ATOM 0 HG SER A 64 -7.500 -17.374 6.162 1.00 0.00 H new ATOM 1018 N GLY A 65 -5.357 -16.009 3.983 1.00 0.00 N ATOM 1019 CA GLY A 65 -4.358 -14.956 3.833 1.00 0.00 C ATOM 1020 C GLY A 65 -4.807 -13.678 4.537 1.00 0.00 C ATOM 1021 O GLY A 65 -4.004 -12.988 5.163 1.00 0.00 O ATOM 0 H GLY A 65 -5.169 -16.668 4.738 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -3.407 -15.290 4.247 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -4.192 -14.754 2.775 1.00 0.00 H new ATOM 1025 N ARG A 66 -6.095 -13.374 4.435 1.00 0.00 N ATOM 1026 CA ARG A 66 -6.642 -12.179 5.070 1.00 0.00 C ATOM 1027 C ARG A 66 -6.664 -12.340 6.583 1.00 0.00 C ATOM 1028 O ARG A 66 -6.747 -11.356 7.319 1.00 0.00 O ATOM 1029 CB ARG A 66 -8.062 -11.923 4.559 1.00 0.00 C ATOM 1030 CG ARG A 66 -8.044 -11.767 3.032 1.00 0.00 C ATOM 1031 CD ARG A 66 -7.538 -10.370 2.659 1.00 0.00 C ATOM 1032 NE ARG A 66 -7.716 -10.136 1.235 1.00 0.00 N ATOM 1033 CZ ARG A 66 -7.007 -9.209 0.599 1.00 0.00 C ATOM 1034 NH1 ARG A 66 -6.129 -8.497 1.253 1.00 0.00 N ATOM 1035 NH2 ARG A 66 -7.187 -9.012 -0.678 1.00 0.00 N ATOM 0 H ARG A 66 -6.777 -13.933 3.923 1.00 0.00 H new ATOM 0 HA ARG A 66 -6.006 -11.330 4.817 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -8.715 -12.749 4.842 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.468 -11.023 5.021 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -7.402 -12.527 2.587 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.045 -11.921 2.630 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -8.079 -9.615 3.230 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -6.485 -10.274 2.922 1.00 0.00 H new ATOM 0 HE ARG A 66 -8.396 -10.692 0.716 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -5.988 -8.653 2.251 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -5.584 -7.785 0.766 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -7.872 -9.569 -1.188 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -6.643 -8.301 -1.166 1.00 0.00 H new ATOM 1049 N ASN A 67 -6.591 -13.584 7.041 1.00 0.00 N ATOM 1050 CA ASN A 67 -6.603 -13.862 8.472 1.00 0.00 C ATOM 1051 C ASN A 67 -5.334 -13.331 9.133 1.00 0.00 C ATOM 1052 O ASN A 67 -5.278 -13.169 10.352 1.00 0.00 O ATOM 1053 CB ASN A 67 -6.711 -15.371 8.710 1.00 0.00 C ATOM 1054 CG ASN A 67 -5.429 -16.063 8.261 1.00 0.00 C ATOM 1055 OD1 ASN A 67 -4.565 -15.435 7.649 1.00 0.00 O ATOM 1056 ND2 ASN A 67 -5.251 -17.327 8.533 1.00 0.00 N ATOM 0 H ASN A 67 -6.523 -14.411 6.447 1.00 0.00 H new ATOM 0 HA ASN A 67 -7.465 -13.361 8.913 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.890 -15.569 9.767 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -7.563 -15.774 8.162 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -4.395 -17.796 8.238 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -5.968 -17.845 9.040 1.00 0.00 H new ATOM 1063 N GLN A 68 -4.318 -13.064 8.320 1.00 0.00 N ATOM 1064 CA GLN A 68 -3.052 -12.555 8.835 1.00 0.00 C ATOM 1065 C GLN A 68 -3.276 -11.268 9.624 1.00 0.00 C ATOM 1066 O GLN A 68 -2.587 -11.007 10.610 1.00 0.00 O ATOM 1067 CB GLN A 68 -2.087 -12.286 7.679 1.00 0.00 C ATOM 1068 CG GLN A 68 -0.731 -11.849 8.237 1.00 0.00 C ATOM 1069 CD GLN A 68 0.278 -11.707 7.103 1.00 0.00 C ATOM 1070 OE1 GLN A 68 -0.064 -11.906 5.937 1.00 0.00 O ATOM 1071 NE2 GLN A 68 1.510 -11.373 7.375 1.00 0.00 N ATOM 0 H GLN A 68 -4.345 -13.190 7.308 1.00 0.00 H new ATOM 0 HA GLN A 68 -2.622 -13.306 9.498 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -1.970 -13.184 7.072 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -2.491 -11.511 7.027 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.834 -10.901 8.764 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -0.374 -12.580 8.963 1.00 0.00 H new ATOM 0 HE21 GLN A 68 1.792 -11.208 8.341 1.00 0.00 H new ATOM 0 HE22 GLN A 68 2.191 -11.277 6.621 1.00 0.00 H new ATOM 1080 N ALA A 69 -4.241 -10.469 9.183 1.00 0.00 N ATOM 1081 CA ALA A 69 -4.547 -9.212 9.858 1.00 0.00 C ATOM 1082 C ALA A 69 -5.231 -9.476 11.194 1.00 0.00 C ATOM 1083 O ALA A 69 -4.977 -8.785 12.174 1.00 0.00 O ATOM 1084 CB ALA A 69 -5.458 -8.356 8.977 1.00 0.00 C ATOM 0 H ALA A 69 -4.821 -10.666 8.368 1.00 0.00 H new ATOM 0 HA ALA A 69 -3.613 -8.681 10.039 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.682 -7.419 9.487 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.956 -8.144 8.033 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.386 -8.894 8.782 1.00 0.00 H new ATOM 1090 N LEU A 70 -6.097 -10.480 11.227 1.00 0.00 N ATOM 1091 CA LEU A 70 -6.805 -10.828 12.456 1.00 0.00 C ATOM 1092 C LEU A 70 -5.822 -11.292 13.527 1.00 0.00 C ATOM 1093 O LEU A 70 -5.958 -10.951 14.696 1.00 0.00 O ATOM 1094 CB LEU A 70 -7.827 -11.936 12.170 1.00 0.00 C ATOM 1095 CG LEU A 70 -9.104 -11.322 11.598 1.00 0.00 C ATOM 1096 CD1 LEU A 70 -8.765 -10.513 10.347 1.00 0.00 C ATOM 1097 CD2 LEU A 70 -10.085 -12.437 11.238 1.00 0.00 C ATOM 0 H LEU A 70 -6.327 -11.065 10.424 1.00 0.00 H new ATOM 0 HA LEU A 70 -7.325 -9.943 12.822 1.00 0.00 H new ATOM 0 HB2 LEU A 70 -7.410 -12.656 11.465 1.00 0.00 H new ATOM 0 HB3 LEU A 70 -8.053 -12.481 13.086 1.00 0.00 H new ATOM 0 HG LEU A 70 -9.558 -10.665 12.340 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -9.676 -10.075 9.939 1.00 0.00 H new ATOM 0 HD12 LEU A 70 -8.065 -9.719 10.606 1.00 0.00 H new ATOM 0 HD13 LEU A 70 -8.312 -11.167 9.602 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -10.997 -12.001 10.830 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -9.632 -13.094 10.495 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -10.326 -13.012 12.132 1.00 0.00 H new ATOM 1109 N THR A 71 -4.837 -12.077 13.118 1.00 0.00 N ATOM 1110 CA THR A 71 -3.840 -12.587 14.052 1.00 0.00 C ATOM 1111 C THR A 71 -3.249 -11.447 14.874 1.00 0.00 C ATOM 1112 O THR A 71 -2.944 -11.614 16.055 1.00 0.00 O ATOM 1113 CB THR A 71 -2.724 -13.302 13.287 1.00 0.00 C ATOM 1114 OG1 THR A 71 -3.296 -14.182 12.329 1.00 0.00 O ATOM 1115 CG2 THR A 71 -1.863 -14.102 14.267 1.00 0.00 C ATOM 0 H THR A 71 -4.705 -12.375 12.151 1.00 0.00 H new ATOM 0 HA THR A 71 -4.325 -13.293 14.726 1.00 0.00 H new ATOM 0 HB THR A 71 -2.103 -12.565 12.778 1.00 0.00 H new ATOM 0 HG1 THR A 71 -2.582 -14.639 11.837 1.00 0.00 H new ATOM 0 HG21 THR A 71 -1.068 -14.611 13.721 1.00 0.00 H new ATOM 0 HG22 THR A 71 -1.424 -13.426 15.001 1.00 0.00 H new ATOM 0 HG23 THR A 71 -2.483 -14.839 14.778 1.00 0.00 H new ATOM 1123 N GLN A 72 -3.073 -10.294 14.237 1.00 0.00 N ATOM 1124 CA GLN A 72 -2.507 -9.135 14.918 1.00 0.00 C ATOM 1125 C GLN A 72 -3.397 -8.693 16.072 1.00 0.00 C ATOM 1126 O GLN A 72 -2.908 -8.334 17.142 1.00 0.00 O ATOM 1127 CB GLN A 72 -2.338 -7.981 13.930 1.00 0.00 C ATOM 1128 CG GLN A 72 -1.211 -8.306 12.948 1.00 0.00 C ATOM 1129 CD GLN A 72 -1.089 -7.197 11.907 1.00 0.00 C ATOM 1130 OE1 GLN A 72 -1.806 -6.198 11.977 1.00 0.00 O ATOM 1131 NE2 GLN A 72 -0.218 -7.312 10.942 1.00 0.00 N ATOM 0 H GLN A 72 -3.312 -10.137 13.258 1.00 0.00 H new ATOM 0 HA GLN A 72 -1.534 -9.418 15.319 1.00 0.00 H new ATOM 0 HB2 GLN A 72 -3.269 -7.814 13.388 1.00 0.00 H new ATOM 0 HB3 GLN A 72 -2.112 -7.060 14.467 1.00 0.00 H new ATOM 0 HG2 GLN A 72 -0.269 -8.416 13.486 1.00 0.00 H new ATOM 0 HG3 GLN A 72 -1.410 -9.258 12.456 1.00 0.00 H new ATOM 0 HE21 GLN A 72 0.375 -8.140 10.886 1.00 0.00 H new ATOM 0 HE22 GLN A 72 -0.130 -6.574 10.244 1.00 0.00 H new ATOM 1140 N LEU A 73 -4.703 -8.731 15.855 1.00 0.00 N ATOM 1141 CA LEU A 73 -5.647 -8.330 16.889 1.00 0.00 C ATOM 1142 C LEU A 73 -5.523 -9.227 18.107 1.00 0.00 C ATOM 1143 O LEU A 73 -5.577 -8.750 19.241 1.00 0.00 O ATOM 1144 CB LEU A 73 -7.083 -8.403 16.334 1.00 0.00 C ATOM 1145 CG LEU A 73 -7.391 -7.135 15.527 1.00 0.00 C ATOM 1146 CD1 LEU A 73 -7.505 -5.927 16.477 1.00 0.00 C ATOM 1147 CD2 LEU A 73 -6.266 -6.888 14.511 1.00 0.00 C ATOM 0 H LEU A 73 -5.132 -9.033 14.980 1.00 0.00 H new ATOM 0 HA LEU A 73 -5.421 -7.307 17.189 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -7.194 -9.284 15.702 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -7.795 -8.506 17.153 1.00 0.00 H new ATOM 0 HG LEU A 73 -8.335 -7.265 14.998 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -7.724 -5.029 15.899 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -8.308 -6.102 17.193 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -6.564 -5.794 17.011 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -6.485 -5.987 13.938 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -5.321 -6.762 15.039 1.00 0.00 H new ATOM 0 HD23 LEU A 73 -6.193 -7.740 13.835 1.00 0.00 H new ATOM 1159 N LYS A 74 -5.360 -10.517 17.870 1.00 0.00 N ATOM 1160 CA LYS A 74 -5.234 -11.467 18.967 1.00 0.00 C ATOM 1161 C LYS A 74 -4.062 -11.092 19.869 1.00 0.00 C ATOM 1162 O LYS A 74 -4.195 -11.060 21.089 1.00 0.00 O ATOM 1163 CB LYS A 74 -5.008 -12.869 18.409 1.00 0.00 C ATOM 1164 CG LYS A 74 -4.996 -13.882 19.556 1.00 0.00 C ATOM 1165 CD LYS A 74 -4.880 -15.306 18.990 1.00 0.00 C ATOM 1166 CE LYS A 74 -3.411 -15.623 18.688 1.00 0.00 C ATOM 1167 NZ LYS A 74 -2.610 -15.485 19.937 1.00 0.00 N ATOM 0 H LYS A 74 -5.312 -10.930 16.939 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.154 -11.444 19.552 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.795 -13.119 17.697 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -4.063 -12.908 17.866 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.161 -13.678 20.226 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -5.908 -13.788 20.146 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -5.278 -16.026 19.705 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -5.476 -15.397 18.082 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -3.319 -16.635 18.294 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.031 -14.947 17.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.831 -16.174 19.928 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -2.220 -14.523 19.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -3.219 -15.662 20.761 1.00 0.00 H new ATOM 1181 N GLU A 75 -2.917 -10.804 19.260 1.00 0.00 N ATOM 1182 CA GLU A 75 -1.730 -10.429 20.021 1.00 0.00 C ATOM 1183 C GLU A 75 -1.938 -9.085 20.715 1.00 0.00 C ATOM 1184 O GLU A 75 -1.487 -8.881 21.842 1.00 0.00 O ATOM 1185 CB GLU A 75 -0.519 -10.345 19.091 1.00 0.00 C ATOM 1186 CG GLU A 75 -0.179 -11.741 18.569 1.00 0.00 C ATOM 1187 CD GLU A 75 0.964 -11.658 17.563 1.00 0.00 C ATOM 1188 OE1 GLU A 75 1.406 -10.554 17.288 1.00 0.00 O ATOM 1189 OE2 GLU A 75 1.384 -12.699 17.084 1.00 0.00 O ATOM 0 H GLU A 75 -2.785 -10.823 18.249 1.00 0.00 H new ATOM 0 HA GLU A 75 -1.553 -11.191 20.780 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -0.733 -9.676 18.258 1.00 0.00 H new ATOM 0 HB3 GLU A 75 0.334 -9.927 19.625 1.00 0.00 H new ATOM 0 HG2 GLU A 75 0.102 -12.390 19.399 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -1.056 -12.186 18.099 1.00 0.00 H new ATOM 1196 N GLN A 76 -2.611 -8.169 20.030 1.00 0.00 N ATOM 1197 CA GLN A 76 -2.869 -6.848 20.592 1.00 0.00 C ATOM 1198 C GLN A 76 -3.770 -6.944 21.816 1.00 0.00 C ATOM 1199 O GLN A 76 -3.508 -6.319 22.843 1.00 0.00 O ATOM 1200 CB GLN A 76 -3.528 -5.955 19.538 1.00 0.00 C ATOM 1201 CG GLN A 76 -2.495 -5.561 18.480 1.00 0.00 C ATOM 1202 CD GLN A 76 -3.186 -4.882 17.303 1.00 0.00 C ATOM 1203 OE1 GLN A 76 -4.389 -4.626 17.353 1.00 0.00 O ATOM 1204 NE2 GLN A 76 -2.496 -4.588 16.235 1.00 0.00 N ATOM 0 H GLN A 76 -2.986 -8.314 19.092 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.917 -6.414 20.896 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -4.360 -6.481 19.070 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -3.940 -5.062 20.009 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -1.755 -4.889 18.915 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.959 -6.446 18.136 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -1.499 -4.802 16.197 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -2.953 -4.145 15.438 1.00 0.00 H new ATOM 1213 N VAL A 77 -4.836 -7.729 21.700 1.00 0.00 N ATOM 1214 CA VAL A 77 -5.769 -7.891 22.802 1.00 0.00 C ATOM 1215 C VAL A 77 -5.066 -8.473 24.020 1.00 0.00 C ATOM 1216 O VAL A 77 -5.237 -7.986 25.124 1.00 0.00 O ATOM 1217 CB VAL A 77 -6.912 -8.825 22.383 1.00 0.00 C ATOM 1218 CG1 VAL A 77 -7.782 -9.154 23.602 1.00 0.00 C ATOM 1219 CG2 VAL A 77 -7.771 -8.135 21.318 1.00 0.00 C ATOM 0 H VAL A 77 -5.072 -8.258 20.860 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.169 -6.910 23.060 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.494 -9.746 21.976 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -8.593 -9.817 23.302 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.174 -9.645 24.361 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -8.199 -8.233 24.011 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -8.583 -8.798 21.020 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.186 -7.214 21.726 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -7.156 -7.902 20.449 1.00 0.00 H new ATOM 1229 N THR A 78 -4.282 -9.518 23.811 1.00 0.00 N ATOM 1230 CA THR A 78 -3.575 -10.164 24.910 1.00 0.00 C ATOM 1231 C THR A 78 -2.789 -9.139 25.717 1.00 0.00 C ATOM 1232 O THR A 78 -2.737 -9.215 26.945 1.00 0.00 O ATOM 1233 CB THR A 78 -2.619 -11.225 24.358 1.00 0.00 C ATOM 1234 OG1 THR A 78 -1.799 -10.647 23.354 1.00 0.00 O ATOM 1235 CG2 THR A 78 -3.422 -12.385 23.761 1.00 0.00 C ATOM 0 H THR A 78 -4.118 -9.937 22.896 1.00 0.00 H new ATOM 0 HA THR A 78 -4.308 -10.637 25.564 1.00 0.00 H new ATOM 0 HB THR A 78 -1.992 -11.601 25.167 1.00 0.00 H new ATOM 0 HG1 THR A 78 -2.201 -9.807 23.047 1.00 0.00 H new ATOM 0 HG21 THR A 78 -2.738 -13.138 23.369 1.00 0.00 H new ATOM 0 HG22 THR A 78 -4.047 -12.831 24.535 1.00 0.00 H new ATOM 0 HG23 THR A 78 -4.053 -12.013 22.954 1.00 0.00 H new ATOM 1243 N SER A 79 -2.179 -8.188 25.023 1.00 0.00 N ATOM 1244 CA SER A 79 -1.399 -7.155 25.692 1.00 0.00 C ATOM 1245 C SER A 79 -2.302 -6.222 26.493 1.00 0.00 C ATOM 1246 O SER A 79 -2.157 -6.093 27.708 1.00 0.00 O ATOM 1247 CB SER A 79 -0.618 -6.344 24.658 1.00 0.00 C ATOM 1248 OG SER A 79 -0.226 -5.104 25.231 1.00 0.00 O ATOM 0 H SER A 79 -2.208 -8.110 24.006 1.00 0.00 H new ATOM 0 HA SER A 79 -0.706 -7.642 26.378 1.00 0.00 H new ATOM 0 HB2 SER A 79 0.260 -6.900 24.331 1.00 0.00 H new ATOM 0 HB3 SER A 79 -1.233 -6.171 23.775 1.00 0.00 H new ATOM 0 HG SER A 79 0.276 -4.583 24.570 1.00 0.00 H new ATOM 1254 N ALA A 80 -3.234 -5.575 25.803 1.00 0.00 N ATOM 1255 CA ALA A 80 -4.165 -4.664 26.458 1.00 0.00 C ATOM 1256 C ALA A 80 -5.074 -5.410 27.422 1.00 0.00 C ATOM 1257 O ALA A 80 -5.552 -4.842 28.405 1.00 0.00 O ATOM 1258 CB ALA A 80 -5.000 -3.924 25.412 1.00 0.00 C ATOM 0 H ALA A 80 -3.365 -5.663 24.795 1.00 0.00 H new ATOM 0 HA ALA A 80 -3.586 -3.940 27.031 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.692 -3.246 25.912 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.341 -3.353 24.758 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -5.563 -4.645 24.819 1.00 0.00 H new ATOM 1264 N LEU A 81 -5.320 -6.676 27.125 1.00 0.00 N ATOM 1265 CA LEU A 81 -6.182 -7.490 27.965 1.00 0.00 C ATOM 1266 C LEU A 81 -5.554 -7.693 29.338 1.00 0.00 C ATOM 1267 O LEU A 81 -6.256 -7.812 30.342 1.00 0.00 O ATOM 1268 CB LEU A 81 -6.435 -8.851 27.298 1.00 0.00 C ATOM 1269 CG LEU A 81 -7.220 -9.754 28.244 1.00 0.00 C ATOM 1270 CD1 LEU A 81 -8.534 -9.071 28.648 1.00 0.00 C ATOM 1271 CD2 LEU A 81 -7.527 -11.083 27.555 1.00 0.00 C ATOM 0 H LEU A 81 -4.937 -7.160 26.313 1.00 0.00 H new ATOM 0 HA LEU A 81 -7.133 -6.971 28.090 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -6.989 -8.713 26.369 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -5.486 -9.320 27.037 1.00 0.00 H new ATOM 0 HG LEU A 81 -6.621 -9.939 29.136 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -9.089 -9.722 29.324 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -8.315 -8.129 29.150 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -9.132 -8.877 27.758 1.00 0.00 H new ATOM 0 HD21 LEU A 81 -8.088 -11.724 28.235 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -8.119 -10.900 26.658 1.00 0.00 H new ATOM 0 HD23 LEU A 81 -6.594 -11.574 27.280 1.00 0.00 H new