USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 570 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 6 TYR OH : rot 117:sc= 1.08 USER MOD Single : A 7 GLN : amide:sc= -1.85 K(o=-1.9,f=-5.2!) USER MOD Single : A 8 TYR OH : rot -133:sc= -4.27! USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot -170:sc= -0.767! USER MOD Single : A 15 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.774) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 HIS :FLIP no HD1:sc= -11.5! C(o=-14!,f=-12!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=-0.00033) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 46 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.8) USER MOD Single : A 57 ASN :FLIP amide:sc= -2.04! C(o=-4.4!,f=-2!) USER MOD Single : A 59 TYR OH : rot -35:sc= -1.04 USER MOD Single : A 60 ASN : amide:sc= -2.6! X(o=-2.6!,f=-3) USER MOD Single : A 62 THR OG1 : rot 79:sc= -0.912 USER MOD Single : A 63 THR OG1 : rot -33:sc= 0.427 USER MOD Single : A 72 THR OG1 : rot 83:sc= 0.625 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 TYR OH : rot -131:sc= -0.936! USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 4 8.008 -20.079 -11.174 1.00 0.00 N ATOM 2 CA GLU A 4 7.212 -19.572 -10.021 1.00 0.00 C ATOM 3 C GLU A 4 7.383 -18.055 -9.912 1.00 0.00 C ATOM 4 O GLU A 4 8.339 -17.492 -10.406 1.00 0.00 O ATOM 5 CB GLU A 4 7.701 -20.235 -8.732 1.00 0.00 C ATOM 6 CG GLU A 4 9.211 -20.470 -8.821 1.00 0.00 C ATOM 7 CD GLU A 4 9.939 -19.124 -8.779 1.00 0.00 C ATOM 8 OE1 GLU A 4 9.818 -18.440 -7.775 1.00 0.00 O ATOM 9 OE2 GLU A 4 10.605 -18.803 -9.748 1.00 0.00 O ATOM 0 HA GLU A 4 6.159 -19.809 -10.174 1.00 0.00 H new ATOM 0 HB2 GLU A 4 7.470 -19.602 -7.875 1.00 0.00 H new ATOM 0 HB3 GLU A 4 7.183 -21.182 -8.578 1.00 0.00 H new ATOM 0 HG2 GLU A 4 9.541 -21.100 -7.995 1.00 0.00 H new ATOM 0 HG3 GLU A 4 9.454 -20.999 -9.743 1.00 0.00 H new ATOM 18 N GLY A 5 6.463 -17.389 -9.270 1.00 0.00 N ATOM 19 CA GLY A 5 6.574 -15.909 -9.132 1.00 0.00 C ATOM 20 C GLY A 5 7.336 -15.571 -7.848 1.00 0.00 C ATOM 21 O GLY A 5 7.298 -16.305 -6.881 1.00 0.00 O ATOM 0 H GLY A 5 5.640 -17.805 -8.835 1.00 0.00 H new ATOM 0 HA2 GLY A 5 7.091 -15.491 -9.995 1.00 0.00 H new ATOM 0 HA3 GLY A 5 5.581 -15.460 -9.107 1.00 0.00 H new ATOM 25 N TYR A 6 8.027 -14.463 -7.831 1.00 0.00 N ATOM 26 CA TYR A 6 8.789 -14.078 -6.612 1.00 0.00 C ATOM 27 C TYR A 6 7.831 -13.461 -5.599 1.00 0.00 C ATOM 28 O TYR A 6 7.217 -12.444 -5.847 1.00 0.00 O ATOM 29 CB TYR A 6 9.873 -13.067 -6.975 1.00 0.00 C ATOM 30 CG TYR A 6 10.964 -13.764 -7.782 1.00 0.00 C ATOM 31 CD1 TYR A 6 10.656 -14.435 -8.945 1.00 0.00 C ATOM 32 CD2 TYR A 6 12.272 -13.729 -7.359 1.00 0.00 C ATOM 33 CE1 TYR A 6 11.640 -15.059 -9.677 1.00 0.00 C ATOM 34 CE2 TYR A 6 13.262 -14.354 -8.087 1.00 0.00 C ATOM 35 CZ TYR A 6 12.955 -15.025 -9.254 1.00 0.00 C ATOM 36 OH TYR A 6 13.943 -15.652 -9.985 1.00 0.00 O ATOM 0 H TYR A 6 8.096 -13.808 -8.610 1.00 0.00 H new ATOM 0 HA TYR A 6 9.259 -14.962 -6.183 1.00 0.00 H new ATOM 0 HB2 TYR A 6 9.444 -12.249 -7.553 1.00 0.00 H new ATOM 0 HB3 TYR A 6 10.297 -12.630 -6.071 1.00 0.00 H new ATOM 0 HD1 TYR A 6 9.632 -14.472 -9.286 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.526 -13.207 -6.448 1.00 0.00 H new ATOM 0 HE1 TYR A 6 11.383 -15.579 -10.588 1.00 0.00 H new ATOM 0 HE2 TYR A 6 14.285 -14.318 -7.742 1.00 0.00 H new ATOM 0 HH TYR A 6 14.585 -14.985 -10.307 1.00 0.00 H new ATOM 46 N GLN A 7 7.712 -14.064 -4.455 1.00 0.00 N ATOM 47 CA GLN A 7 6.792 -13.521 -3.413 1.00 0.00 C ATOM 48 C GLN A 7 7.595 -12.779 -2.346 1.00 0.00 C ATOM 49 O GLN A 7 8.420 -13.359 -1.667 1.00 0.00 O ATOM 50 CB GLN A 7 6.034 -14.676 -2.754 1.00 0.00 C ATOM 51 CG GLN A 7 4.691 -14.878 -3.457 1.00 0.00 C ATOM 52 CD GLN A 7 4.800 -16.050 -4.434 1.00 0.00 C ATOM 53 OE1 GLN A 7 5.881 -16.392 -4.872 1.00 0.00 O ATOM 54 NE2 GLN A 7 3.719 -16.685 -4.796 1.00 0.00 N ATOM 0 H GLN A 7 8.212 -14.913 -4.191 1.00 0.00 H new ATOM 0 HA GLN A 7 6.088 -12.833 -3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 7 6.625 -15.590 -2.809 1.00 0.00 H new ATOM 0 HB3 GLN A 7 5.874 -14.463 -1.697 1.00 0.00 H new ATOM 0 HG2 GLN A 7 3.910 -15.074 -2.723 1.00 0.00 H new ATOM 0 HG3 GLN A 7 4.407 -13.971 -3.990 1.00 0.00 H new ATOM 0 HE21 GLN A 7 2.812 -16.398 -4.429 1.00 0.00 H new ATOM 0 HE22 GLN A 7 3.781 -17.468 -5.446 1.00 0.00 H new ATOM 63 N TYR A 8 7.365 -11.504 -2.184 1.00 0.00 N ATOM 64 CA TYR A 8 8.128 -10.753 -1.151 1.00 0.00 C ATOM 65 C TYR A 8 7.261 -10.604 0.096 1.00 0.00 C ATOM 66 O TYR A 8 6.094 -10.946 0.100 1.00 0.00 O ATOM 67 CB TYR A 8 8.497 -9.345 -1.630 1.00 0.00 C ATOM 68 CG TYR A 8 8.645 -9.256 -3.153 1.00 0.00 C ATOM 69 CD1 TYR A 8 8.976 -10.354 -3.928 1.00 0.00 C ATOM 70 CD2 TYR A 8 8.502 -8.030 -3.764 1.00 0.00 C ATOM 71 CE1 TYR A 8 9.163 -10.212 -5.287 1.00 0.00 C ATOM 72 CE2 TYR A 8 8.690 -7.891 -5.121 1.00 0.00 C ATOM 73 CZ TYR A 8 9.024 -8.983 -5.895 1.00 0.00 C ATOM 74 OH TYR A 8 9.230 -8.845 -7.254 1.00 0.00 O ATOM 0 H TYR A 8 6.689 -10.956 -2.717 1.00 0.00 H new ATOM 0 HA TYR A 8 9.042 -11.310 -0.944 1.00 0.00 H new ATOM 0 HB2 TYR A 8 7.731 -8.642 -1.302 1.00 0.00 H new ATOM 0 HB3 TYR A 8 9.432 -9.040 -1.160 1.00 0.00 H new ATOM 0 HD1 TYR A 8 9.088 -11.324 -3.467 1.00 0.00 H new ATOM 0 HD2 TYR A 8 8.239 -7.166 -3.171 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.422 -11.075 -5.882 1.00 0.00 H new ATOM 0 HE2 TYR A 8 8.575 -6.921 -5.582 1.00 0.00 H new ATOM 0 HH TYR A 8 9.802 -8.067 -7.421 1.00 0.00 H new ATOM 84 N ARG A 9 7.823 -10.092 1.153 1.00 0.00 N ATOM 85 CA ARG A 9 7.036 -9.914 2.401 1.00 0.00 C ATOM 86 C ARG A 9 6.982 -8.419 2.728 1.00 0.00 C ATOM 87 O ARG A 9 7.993 -7.791 2.977 1.00 0.00 O ATOM 88 CB ARG A 9 7.707 -10.678 3.545 1.00 0.00 C ATOM 89 CG ARG A 9 6.801 -11.821 4.006 1.00 0.00 C ATOM 90 CD ARG A 9 7.663 -13.027 4.385 1.00 0.00 C ATOM 91 NE ARG A 9 6.809 -14.077 5.009 1.00 0.00 N ATOM 92 CZ ARG A 9 7.352 -15.023 5.731 1.00 0.00 C ATOM 93 NH1 ARG A 9 8.644 -15.051 5.915 1.00 0.00 N ATOM 94 NH2 ARG A 9 6.598 -15.943 6.269 1.00 0.00 N ATOM 0 H ARG A 9 8.795 -9.789 1.206 1.00 0.00 H new ATOM 0 HA ARG A 9 6.026 -10.301 2.270 1.00 0.00 H new ATOM 0 HB2 ARG A 9 8.668 -11.073 3.216 1.00 0.00 H new ATOM 0 HB3 ARG A 9 7.908 -10.003 4.377 1.00 0.00 H new ATOM 0 HG2 ARG A 9 6.202 -11.504 4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 9 6.105 -12.092 3.212 1.00 0.00 H new ATOM 0 HD2 ARG A 9 8.158 -13.426 3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 9 8.447 -12.723 5.078 1.00 0.00 H new ATOM 0 HE ARG A 9 5.798 -14.058 4.873 1.00 0.00 H new ATOM 0 HH11 ARG A 9 9.235 -14.333 5.495 1.00 0.00 H new ATOM 0 HH12 ARG A 9 9.063 -15.791 6.479 1.00 0.00 H new ATOM 0 HH21 ARG A 9 5.588 -15.923 6.126 1.00 0.00 H new ATOM 0 HH22 ARG A 9 7.019 -16.682 6.832 1.00 0.00 H new ATOM 108 N ALA A 10 5.812 -7.846 2.717 1.00 0.00 N ATOM 109 CA ALA A 10 5.683 -6.394 3.023 1.00 0.00 C ATOM 110 C ALA A 10 6.475 -6.045 4.285 1.00 0.00 C ATOM 111 O ALA A 10 6.115 -6.422 5.382 1.00 0.00 O ATOM 112 CB ALA A 10 4.208 -6.052 3.240 1.00 0.00 C ATOM 0 H ALA A 10 4.935 -8.323 2.508 1.00 0.00 H new ATOM 0 HA ALA A 10 6.079 -5.819 2.186 1.00 0.00 H new ATOM 0 HB1 ALA A 10 4.110 -4.990 3.464 1.00 0.00 H new ATOM 0 HB2 ALA A 10 3.644 -6.286 2.337 1.00 0.00 H new ATOM 0 HB3 ALA A 10 3.818 -6.636 4.073 1.00 0.00 H new ATOM 118 N LEU A 11 7.553 -5.324 4.134 1.00 0.00 N ATOM 119 CA LEU A 11 8.375 -4.944 5.318 1.00 0.00 C ATOM 120 C LEU A 11 7.884 -3.600 5.861 1.00 0.00 C ATOM 121 O LEU A 11 7.833 -3.382 7.055 1.00 0.00 O ATOM 122 CB LEU A 11 9.845 -4.807 4.907 1.00 0.00 C ATOM 123 CG LEU A 11 10.582 -6.123 5.153 1.00 0.00 C ATOM 124 CD1 LEU A 11 12.075 -5.926 4.880 1.00 0.00 C ATOM 125 CD2 LEU A 11 10.385 -6.560 6.606 1.00 0.00 C ATOM 0 H LEU A 11 7.901 -4.981 3.239 1.00 0.00 H new ATOM 0 HA LEU A 11 8.281 -5.715 6.083 1.00 0.00 H new ATOM 0 HB2 LEU A 11 9.913 -4.534 3.854 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.317 -4.005 5.475 1.00 0.00 H new ATOM 0 HG LEU A 11 10.185 -6.890 4.488 1.00 0.00 H new ATOM 0 HD11 LEU A 11 12.604 -6.863 5.055 1.00 0.00 H new ATOM 0 HD12 LEU A 11 12.218 -5.616 3.845 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.468 -5.158 5.546 1.00 0.00 H new ATOM 0 HD21 LEU A 11 10.912 -7.499 6.778 1.00 0.00 H new ATOM 0 HD22 LEU A 11 10.781 -5.794 7.273 1.00 0.00 H new ATOM 0 HD23 LEU A 11 9.322 -6.699 6.803 1.00 0.00 H new ATOM 137 N TYR A 12 7.521 -2.694 4.991 1.00 0.00 N ATOM 138 CA TYR A 12 7.035 -1.366 5.458 1.00 0.00 C ATOM 139 C TYR A 12 5.668 -1.071 4.834 1.00 0.00 C ATOM 140 O TYR A 12 4.985 -1.962 4.369 1.00 0.00 O ATOM 141 CB TYR A 12 8.037 -0.288 5.052 1.00 0.00 C ATOM 142 CG TYR A 12 9.365 -0.570 5.751 1.00 0.00 C ATOM 143 CD1 TYR A 12 10.065 -1.721 5.473 1.00 0.00 C ATOM 144 CD2 TYR A 12 9.875 0.317 6.673 1.00 0.00 C ATOM 145 CE1 TYR A 12 11.261 -1.986 6.104 1.00 0.00 C ATOM 146 CE2 TYR A 12 11.072 0.056 7.307 1.00 0.00 C ATOM 147 CZ TYR A 12 11.775 -1.098 7.028 1.00 0.00 C ATOM 148 OH TYR A 12 12.972 -1.361 7.663 1.00 0.00 O ATOM 0 H TYR A 12 7.541 -2.818 3.979 1.00 0.00 H new ATOM 0 HA TYR A 12 6.936 -1.374 6.543 1.00 0.00 H new ATOM 0 HB2 TYR A 12 8.172 -0.285 3.970 1.00 0.00 H new ATOM 0 HB3 TYR A 12 7.665 0.698 5.330 1.00 0.00 H new ATOM 0 HD1 TYR A 12 9.673 -2.424 4.753 1.00 0.00 H new ATOM 0 HD2 TYR A 12 9.334 1.223 6.901 1.00 0.00 H new ATOM 0 HE1 TYR A 12 11.800 -2.894 5.874 1.00 0.00 H new ATOM 0 HE2 TYR A 12 11.462 0.760 8.027 1.00 0.00 H new ATOM 0 HH TYR A 12 13.183 -0.629 8.280 1.00 0.00 H new ATOM 158 N ASP A 13 5.263 0.170 4.816 1.00 0.00 N ATOM 159 CA ASP A 13 3.940 0.512 4.218 1.00 0.00 C ATOM 160 C ASP A 13 4.126 1.556 3.115 1.00 0.00 C ATOM 161 O ASP A 13 5.233 1.928 2.776 1.00 0.00 O ATOM 162 CB ASP A 13 3.023 1.078 5.304 1.00 0.00 C ATOM 163 CG ASP A 13 3.850 1.900 6.295 1.00 0.00 C ATOM 164 OD1 ASP A 13 4.741 2.605 5.849 1.00 0.00 O ATOM 165 OD2 ASP A 13 3.579 1.811 7.481 1.00 0.00 O ATOM 0 H ASP A 13 5.789 0.960 5.188 1.00 0.00 H new ATOM 0 HA ASP A 13 3.493 -0.387 3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 13 2.251 1.702 4.854 1.00 0.00 H new ATOM 0 HB3 ASP A 13 2.514 0.266 5.824 1.00 0.00 H new ATOM 170 N TYR A 14 3.048 2.034 2.553 1.00 0.00 N ATOM 171 CA TYR A 14 3.151 3.055 1.470 1.00 0.00 C ATOM 172 C TYR A 14 1.783 3.205 0.796 1.00 0.00 C ATOM 173 O TYR A 14 1.217 2.250 0.310 1.00 0.00 O ATOM 174 CB TYR A 14 4.190 2.602 0.438 1.00 0.00 C ATOM 175 CG TYR A 14 4.045 3.428 -0.842 1.00 0.00 C ATOM 176 CD1 TYR A 14 4.732 4.617 -0.992 1.00 0.00 C ATOM 177 CD2 TYR A 14 3.229 2.995 -1.869 1.00 0.00 C ATOM 178 CE1 TYR A 14 4.606 5.357 -2.148 1.00 0.00 C ATOM 179 CE2 TYR A 14 3.104 3.736 -3.024 1.00 0.00 C ATOM 180 CZ TYR A 14 3.791 4.923 -3.174 1.00 0.00 C ATOM 181 OH TYR A 14 3.664 5.665 -4.330 1.00 0.00 O ATOM 0 H TYR A 14 2.097 1.760 2.798 1.00 0.00 H new ATOM 0 HA TYR A 14 3.459 4.012 1.890 1.00 0.00 H new ATOM 0 HB2 TYR A 14 5.195 2.718 0.845 1.00 0.00 H new ATOM 0 HB3 TYR A 14 4.057 1.543 0.215 1.00 0.00 H new ATOM 0 HD1 TYR A 14 5.373 4.969 -0.197 1.00 0.00 H new ATOM 0 HD2 TYR A 14 2.684 2.068 -1.766 1.00 0.00 H new ATOM 0 HE1 TYR A 14 5.150 6.284 -2.252 1.00 0.00 H new ATOM 0 HE2 TYR A 14 2.463 3.385 -3.819 1.00 0.00 H new ATOM 0 HH TYR A 14 2.937 5.299 -4.875 1.00 0.00 H new ATOM 191 N LYS A 15 1.248 4.393 0.758 1.00 0.00 N ATOM 192 CA LYS A 15 -0.078 4.590 0.118 1.00 0.00 C ATOM 193 C LYS A 15 0.081 4.649 -1.404 1.00 0.00 C ATOM 194 O LYS A 15 1.135 4.969 -1.917 1.00 0.00 O ATOM 195 CB LYS A 15 -0.681 5.898 0.623 1.00 0.00 C ATOM 196 CG LYS A 15 -0.756 5.868 2.150 1.00 0.00 C ATOM 197 CD LYS A 15 -1.935 4.994 2.584 1.00 0.00 C ATOM 198 CE LYS A 15 -1.651 4.401 3.965 1.00 0.00 C ATOM 199 NZ LYS A 15 -1.094 5.459 4.855 1.00 0.00 N ATOM 0 H LYS A 15 1.674 5.236 1.144 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.734 3.757 0.371 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.074 6.742 0.294 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.677 6.039 0.202 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.173 5.476 2.563 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -0.876 6.879 2.539 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.849 5.587 2.612 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.095 4.195 1.860 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.567 3.995 4.394 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -0.946 3.574 3.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -1.275 5.208 5.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -0.069 5.539 4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.549 6.369 4.639 1.00 0.00 H new ATOM 213 N LYS A 16 -0.963 4.344 -2.127 1.00 0.00 N ATOM 214 CA LYS A 16 -0.880 4.381 -3.615 1.00 0.00 C ATOM 215 C LYS A 16 -0.768 5.830 -4.088 1.00 0.00 C ATOM 216 O LYS A 16 -1.757 6.481 -4.360 1.00 0.00 O ATOM 217 CB LYS A 16 -2.140 3.752 -4.213 1.00 0.00 C ATOM 218 CG LYS A 16 -2.399 2.396 -3.558 1.00 0.00 C ATOM 219 CD LYS A 16 -3.896 2.078 -3.614 1.00 0.00 C ATOM 220 CE LYS A 16 -4.420 2.329 -5.029 1.00 0.00 C ATOM 221 NZ LYS A 16 -5.903 2.179 -5.042 1.00 0.00 N ATOM 0 H LYS A 16 -1.871 4.071 -1.751 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.002 3.823 -3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.995 4.410 -4.059 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.021 3.630 -5.290 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -1.832 1.619 -4.070 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -2.058 2.409 -2.523 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.069 1.040 -3.330 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.437 2.698 -2.899 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -4.142 3.330 -5.359 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -3.966 1.625 -5.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.261 2.349 -6.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -6.157 1.216 -4.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.327 2.867 -4.388 1.00 0.00 H new ATOM 235 N GLU A 17 0.427 6.342 -4.189 1.00 0.00 N ATOM 236 CA GLU A 17 0.595 7.749 -4.646 1.00 0.00 C ATOM 237 C GLU A 17 0.280 7.836 -6.140 1.00 0.00 C ATOM 238 O GLU A 17 -0.738 8.365 -6.540 1.00 0.00 O ATOM 239 CB GLU A 17 2.036 8.197 -4.399 1.00 0.00 C ATOM 240 CG GLU A 17 2.260 9.568 -5.041 1.00 0.00 C ATOM 241 CD GLU A 17 2.708 10.565 -3.970 1.00 0.00 C ATOM 242 OE1 GLU A 17 3.868 10.523 -3.598 1.00 0.00 O ATOM 243 OE2 GLU A 17 1.881 11.353 -3.539 1.00 0.00 O ATOM 0 H GLU A 17 1.293 5.848 -3.975 1.00 0.00 H new ATOM 0 HA GLU A 17 -0.084 8.397 -4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 17 2.234 8.248 -3.328 1.00 0.00 H new ATOM 0 HB3 GLU A 17 2.731 7.469 -4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.014 9.496 -5.824 1.00 0.00 H new ATOM 0 HG3 GLU A 17 1.341 9.914 -5.514 1.00 0.00 H new ATOM 250 N ARG A 18 1.146 7.319 -6.968 1.00 0.00 N ATOM 251 CA ARG A 18 0.895 7.370 -8.436 1.00 0.00 C ATOM 252 C ARG A 18 -0.264 6.437 -8.790 1.00 0.00 C ATOM 253 O ARG A 18 -0.553 5.498 -8.073 1.00 0.00 O ATOM 254 CB ARG A 18 2.156 6.926 -9.183 1.00 0.00 C ATOM 255 CG ARG A 18 3.223 8.018 -9.079 1.00 0.00 C ATOM 256 CD ARG A 18 4.614 7.381 -9.156 1.00 0.00 C ATOM 257 NE ARG A 18 4.573 6.211 -10.078 1.00 0.00 N ATOM 258 CZ ARG A 18 4.509 6.397 -11.370 1.00 0.00 C ATOM 259 NH1 ARG A 18 4.482 7.608 -11.859 1.00 0.00 N ATOM 260 NH2 ARG A 18 4.473 5.369 -12.174 1.00 0.00 N ATOM 0 H ARG A 18 2.016 6.864 -6.692 1.00 0.00 H new ATOM 0 HA ARG A 18 0.640 8.389 -8.726 1.00 0.00 H new ATOM 0 HB2 ARG A 18 2.532 5.994 -8.761 1.00 0.00 H new ATOM 0 HB3 ARG A 18 1.922 6.730 -10.229 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.098 8.742 -9.884 1.00 0.00 H new ATOM 0 HG3 ARG A 18 3.112 8.562 -8.141 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.341 8.112 -9.510 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.937 7.065 -8.164 1.00 0.00 H new ATOM 0 HE ARG A 18 4.595 5.264 -9.700 1.00 0.00 H new ATOM 0 HH11 ARG A 18 4.511 8.412 -11.232 1.00 0.00 H new ATOM 0 HH12 ARG A 18 4.432 7.750 -12.868 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.495 4.423 -11.793 1.00 0.00 H new ATOM 0 HH22 ARG A 18 4.423 5.512 -13.183 1.00 0.00 H new ATOM 274 N GLU A 19 -0.919 6.695 -9.897 1.00 0.00 N ATOM 275 CA GLU A 19 -2.061 5.853 -10.333 1.00 0.00 C ATOM 276 C GLU A 19 -1.523 4.564 -10.944 1.00 0.00 C ATOM 277 O GLU A 19 -1.598 4.337 -12.135 1.00 0.00 O ATOM 278 CB GLU A 19 -2.887 6.608 -11.377 1.00 0.00 C ATOM 279 CG GLU A 19 -4.348 6.666 -10.925 1.00 0.00 C ATOM 280 CD GLU A 19 -5.204 7.268 -12.042 1.00 0.00 C ATOM 281 OE1 GLU A 19 -5.436 6.580 -13.021 1.00 0.00 O ATOM 282 OE2 GLU A 19 -5.615 8.409 -11.896 1.00 0.00 O ATOM 0 H GLU A 19 -0.700 7.470 -10.523 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.693 5.620 -9.476 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -2.495 7.617 -11.507 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.814 6.110 -12.344 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -4.704 5.666 -10.679 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.436 7.267 -10.020 1.00 0.00 H new ATOM 289 N GLU A 20 -0.982 3.726 -10.121 1.00 0.00 N ATOM 290 CA GLU A 20 -0.423 2.437 -10.600 1.00 0.00 C ATOM 291 C GLU A 20 0.172 1.675 -9.413 1.00 0.00 C ATOM 292 O GLU A 20 0.251 0.463 -9.420 1.00 0.00 O ATOM 293 CB GLU A 20 0.672 2.708 -11.634 1.00 0.00 C ATOM 294 CG GLU A 20 0.242 2.148 -12.991 1.00 0.00 C ATOM 295 CD GLU A 20 1.481 1.730 -13.786 1.00 0.00 C ATOM 296 OE1 GLU A 20 2.220 0.892 -13.297 1.00 0.00 O ATOM 297 OE2 GLU A 20 1.669 2.256 -14.871 1.00 0.00 O ATOM 0 H GLU A 20 -0.900 3.879 -9.116 1.00 0.00 H new ATOM 0 HA GLU A 20 -1.213 1.842 -11.059 1.00 0.00 H new ATOM 0 HB2 GLU A 20 0.856 3.780 -11.713 1.00 0.00 H new ATOM 0 HB3 GLU A 20 1.608 2.247 -11.318 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.419 1.293 -12.851 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.322 2.899 -13.544 1.00 0.00 H new ATOM 304 N ASP A 21 0.595 2.374 -8.387 1.00 0.00 N ATOM 305 CA ASP A 21 1.181 1.672 -7.209 1.00 0.00 C ATOM 306 C ASP A 21 0.071 0.947 -6.444 1.00 0.00 C ATOM 307 O ASP A 21 -1.100 1.130 -6.709 1.00 0.00 O ATOM 308 CB ASP A 21 1.855 2.690 -6.287 1.00 0.00 C ATOM 309 CG ASP A 21 0.976 3.936 -6.173 1.00 0.00 C ATOM 310 OD1 ASP A 21 -0.222 3.812 -6.371 1.00 0.00 O ATOM 311 OD2 ASP A 21 1.514 4.992 -5.889 1.00 0.00 O ATOM 0 H ASP A 21 0.559 3.391 -8.317 1.00 0.00 H new ATOM 0 HA ASP A 21 1.921 0.948 -7.550 1.00 0.00 H new ATOM 0 HB2 ASP A 21 2.015 2.253 -5.301 1.00 0.00 H new ATOM 0 HB3 ASP A 21 2.836 2.959 -6.680 1.00 0.00 H new ATOM 316 N ILE A 22 0.429 0.124 -5.496 1.00 0.00 N ATOM 317 CA ILE A 22 -0.608 -0.612 -4.717 1.00 0.00 C ATOM 318 C ILE A 22 -0.472 -0.269 -3.232 1.00 0.00 C ATOM 319 O ILE A 22 0.506 0.314 -2.806 1.00 0.00 O ATOM 320 CB ILE A 22 -0.425 -2.120 -4.908 1.00 0.00 C ATOM 321 CG1 ILE A 22 1.049 -2.433 -5.180 1.00 0.00 C ATOM 322 CG2 ILE A 22 -1.270 -2.586 -6.095 1.00 0.00 C ATOM 323 CD1 ILE A 22 1.208 -3.927 -5.472 1.00 0.00 C ATOM 0 H ILE A 22 1.394 -0.071 -5.227 1.00 0.00 H new ATOM 0 HA ILE A 22 -1.597 -0.320 -5.071 1.00 0.00 H new ATOM 0 HB ILE A 22 -0.742 -2.639 -4.004 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.406 -1.846 -6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.656 -2.153 -4.319 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -1.142 -3.660 -6.234 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -2.320 -2.368 -5.902 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -0.951 -2.063 -6.996 1.00 0.00 H new ATOM 0 HD11 ILE A 22 2.257 -4.150 -5.666 1.00 0.00 H new ATOM 0 HD12 ILE A 22 0.867 -4.504 -4.612 1.00 0.00 H new ATOM 0 HD13 ILE A 22 0.613 -4.192 -6.346 1.00 0.00 H new ATOM 335 N ASP A 23 -1.446 -0.627 -2.440 1.00 0.00 N ATOM 336 CA ASP A 23 -1.371 -0.322 -0.984 1.00 0.00 C ATOM 337 C ASP A 23 -0.356 -1.253 -0.319 1.00 0.00 C ATOM 338 O ASP A 23 -0.569 -2.444 -0.215 1.00 0.00 O ATOM 339 CB ASP A 23 -2.744 -0.533 -0.344 1.00 0.00 C ATOM 340 CG ASP A 23 -3.826 0.077 -1.236 1.00 0.00 C ATOM 341 OD1 ASP A 23 -4.319 -0.628 -2.101 1.00 0.00 O ATOM 342 OD2 ASP A 23 -4.143 1.239 -1.039 1.00 0.00 O ATOM 0 H ASP A 23 -2.289 -1.117 -2.739 1.00 0.00 H new ATOM 0 HA ASP A 23 -1.061 0.714 -0.849 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -2.931 -1.598 -0.204 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -2.771 -0.072 0.644 1.00 0.00 H new ATOM 347 N LEU A 24 0.747 -0.720 0.124 1.00 0.00 N ATOM 348 CA LEU A 24 1.776 -1.570 0.783 1.00 0.00 C ATOM 349 C LEU A 24 1.616 -1.463 2.301 1.00 0.00 C ATOM 350 O LEU A 24 1.284 -0.419 2.828 1.00 0.00 O ATOM 351 CB LEU A 24 3.170 -1.085 0.381 1.00 0.00 C ATOM 352 CG LEU A 24 3.700 -1.947 -0.768 1.00 0.00 C ATOM 353 CD1 LEU A 24 4.064 -3.334 -0.236 1.00 0.00 C ATOM 354 CD2 LEU A 24 2.623 -2.080 -1.847 1.00 0.00 C ATOM 0 H LEU A 24 0.981 0.271 0.058 1.00 0.00 H new ATOM 0 HA LEU A 24 1.651 -2.607 0.473 1.00 0.00 H new ATOM 0 HB2 LEU A 24 3.129 -0.039 0.076 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.846 -1.142 1.234 1.00 0.00 H new ATOM 0 HG LEU A 24 4.585 -1.477 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 24 4.442 -3.949 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.832 -3.239 0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 24 3.178 -3.803 0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 24 3.001 -2.694 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 24 1.737 -2.550 -1.420 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.363 -1.091 -2.226 1.00 0.00 H new ATOM 366 N HIS A 25 1.851 -2.533 3.009 1.00 0.00 N ATOM 367 CA HIS A 25 1.711 -2.490 4.491 1.00 0.00 C ATOM 368 C HIS A 25 2.494 -3.651 5.099 1.00 0.00 C ATOM 369 O HIS A 25 2.462 -4.757 4.602 1.00 0.00 O ATOM 370 CB HIS A 25 0.234 -2.619 4.911 1.00 0.00 C ATOM 371 CG HIS A 25 -0.686 -2.791 3.690 1.00 0.00 C ATOM 372 ND1 HIS A 25 -0.495 -3.499 2.516 1.00 0.00 N flip ATOM 373 CD2 HIS A 25 -1.858 -2.314 3.593 1.00 0.00 C flip ATOM 374 CE1 HIS A 25 -1.594 -3.415 1.751 1.00 0.00 C flip ATOM 375 NE2 HIS A 25 -2.398 -2.663 2.484 1.00 0.00 N flip ATOM 0 H HIS A 25 2.134 -3.435 2.625 1.00 0.00 H new ATOM 0 HA HIS A 25 2.096 -1.534 4.846 1.00 0.00 H new ATOM 0 HB2 HIS A 25 0.118 -3.473 5.579 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -0.065 -1.733 5.471 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -2.335 -1.699 4.342 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -1.776 -3.852 0.780 1.00 0.00 H new ATOM 0 HE2 HIS A 25 -3.339 -2.392 2.200 1.00 0.00 H new ATOM 383 N LEU A 26 3.192 -3.414 6.173 1.00 0.00 N ATOM 384 CA LEU A 26 3.973 -4.508 6.808 1.00 0.00 C ATOM 385 C LEU A 26 3.035 -5.663 7.168 1.00 0.00 C ATOM 386 O LEU A 26 1.976 -5.463 7.727 1.00 0.00 O ATOM 387 CB LEU A 26 4.650 -3.985 8.076 1.00 0.00 C ATOM 388 CG LEU A 26 5.264 -5.156 8.845 1.00 0.00 C ATOM 389 CD1 LEU A 26 6.785 -4.998 8.888 1.00 0.00 C ATOM 390 CD2 LEU A 26 4.712 -5.175 10.272 1.00 0.00 C ATOM 0 H LEU A 26 3.255 -2.509 6.638 1.00 0.00 H new ATOM 0 HA LEU A 26 4.733 -4.861 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.423 -3.261 7.817 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.924 -3.466 8.701 1.00 0.00 H new ATOM 0 HG LEU A 26 5.011 -6.091 8.345 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.222 -5.833 9.436 1.00 0.00 H new ATOM 0 HD12 LEU A 26 7.178 -4.986 7.872 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.040 -4.063 9.387 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.149 -6.009 10.820 1.00 0.00 H new ATOM 0 HD22 LEU A 26 4.964 -4.240 10.772 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.628 -5.289 10.241 1.00 0.00 H new ATOM 402 N GLY A 27 3.416 -6.872 6.851 1.00 0.00 N ATOM 403 CA GLY A 27 2.544 -8.037 7.177 1.00 0.00 C ATOM 404 C GLY A 27 1.842 -8.525 5.909 1.00 0.00 C ATOM 405 O GLY A 27 1.472 -9.677 5.795 1.00 0.00 O ATOM 0 H GLY A 27 4.292 -7.102 6.381 1.00 0.00 H new ATOM 0 HA2 GLY A 27 3.141 -8.842 7.607 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.806 -7.753 7.927 1.00 0.00 H new ATOM 409 N ASP A 28 1.654 -7.658 4.952 1.00 0.00 N ATOM 410 CA ASP A 28 0.976 -8.069 3.691 1.00 0.00 C ATOM 411 C ASP A 28 1.934 -8.909 2.842 1.00 0.00 C ATOM 412 O ASP A 28 3.105 -9.027 3.143 1.00 0.00 O ATOM 413 CB ASP A 28 0.561 -6.822 2.911 1.00 0.00 C ATOM 414 CG ASP A 28 -0.445 -6.022 3.738 1.00 0.00 C ATOM 415 OD1 ASP A 28 -0.128 -5.704 4.873 1.00 0.00 O ATOM 416 OD2 ASP A 28 -1.514 -5.741 3.224 1.00 0.00 O ATOM 0 H ASP A 28 1.942 -6.680 4.990 1.00 0.00 H new ATOM 0 HA ASP A 28 0.093 -8.662 3.929 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.435 -6.210 2.689 1.00 0.00 H new ATOM 0 HB3 ASP A 28 0.120 -7.106 1.956 1.00 0.00 H new ATOM 421 N ILE A 29 1.444 -9.491 1.782 1.00 0.00 N ATOM 422 CA ILE A 29 2.326 -10.323 0.913 1.00 0.00 C ATOM 423 C ILE A 29 2.276 -9.788 -0.519 1.00 0.00 C ATOM 424 O ILE A 29 1.318 -9.159 -0.920 1.00 0.00 O ATOM 425 CB ILE A 29 1.837 -11.771 0.933 1.00 0.00 C ATOM 426 CG1 ILE A 29 2.143 -12.394 2.295 1.00 0.00 C ATOM 427 CG2 ILE A 29 2.552 -12.566 -0.162 1.00 0.00 C ATOM 428 CD1 ILE A 29 3.655 -12.578 2.446 1.00 0.00 C ATOM 0 H ILE A 29 0.472 -9.427 1.480 1.00 0.00 H new ATOM 0 HA ILE A 29 3.350 -10.280 1.283 1.00 0.00 H new ATOM 0 HB ILE A 29 0.762 -11.793 0.756 1.00 0.00 H new ATOM 0 HG12 ILE A 29 1.763 -11.755 3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 29 1.638 -13.355 2.388 1.00 0.00 H new ATOM 0 HG21 ILE A 29 2.204 -13.599 -0.148 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.335 -12.123 -1.134 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.627 -12.543 0.015 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.872 -13.022 3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.022 -13.234 1.657 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.149 -11.609 2.372 1.00 0.00 H new ATOM 440 N LEU A 30 3.299 -10.029 -1.295 1.00 0.00 N ATOM 441 CA LEU A 30 3.297 -9.530 -2.695 1.00 0.00 C ATOM 442 C LEU A 30 3.587 -10.684 -3.643 1.00 0.00 C ATOM 443 O LEU A 30 4.593 -11.355 -3.534 1.00 0.00 O ATOM 444 CB LEU A 30 4.376 -8.465 -2.866 1.00 0.00 C ATOM 445 CG LEU A 30 3.959 -7.205 -2.119 1.00 0.00 C ATOM 446 CD1 LEU A 30 3.965 -7.483 -0.622 1.00 0.00 C ATOM 447 CD2 LEU A 30 4.949 -6.090 -2.418 1.00 0.00 C ATOM 0 H LEU A 30 4.132 -10.548 -1.018 1.00 0.00 H new ATOM 0 HA LEU A 30 2.321 -9.100 -2.919 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.329 -8.831 -2.483 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.521 -8.244 -3.923 1.00 0.00 H new ATOM 0 HG LEU A 30 2.960 -6.907 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.667 -6.583 -0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.265 -8.288 -0.399 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.967 -7.777 -0.311 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.652 -5.187 -1.884 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.945 -6.392 -2.095 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.960 -5.891 -3.490 1.00 0.00 H new ATOM 459 N THR A 31 2.714 -10.920 -4.573 1.00 0.00 N ATOM 460 CA THR A 31 2.942 -12.030 -5.526 1.00 0.00 C ATOM 461 C THR A 31 3.450 -11.466 -6.849 1.00 0.00 C ATOM 462 O THR A 31 2.680 -11.074 -7.703 1.00 0.00 O ATOM 463 CB THR A 31 1.633 -12.785 -5.756 1.00 0.00 C ATOM 464 OG1 THR A 31 0.695 -12.420 -4.754 1.00 0.00 O ATOM 465 CG2 THR A 31 1.897 -14.286 -5.678 1.00 0.00 C ATOM 0 H THR A 31 1.853 -10.392 -4.714 1.00 0.00 H new ATOM 0 HA THR A 31 3.684 -12.715 -5.116 1.00 0.00 H new ATOM 0 HB THR A 31 1.233 -12.533 -6.738 1.00 0.00 H new ATOM 0 HG1 THR A 31 -0.145 -12.902 -4.901 1.00 0.00 H new ATOM 0 HG21 THR A 31 0.966 -14.828 -5.842 1.00 0.00 H new ATOM 0 HG22 THR A 31 2.620 -14.568 -6.443 1.00 0.00 H new ATOM 0 HG23 THR A 31 2.294 -14.535 -4.694 1.00 0.00 H new ATOM 473 N VAL A 32 4.744 -11.394 -7.014 1.00 0.00 N ATOM 474 CA VAL A 32 5.302 -10.856 -8.285 1.00 0.00 C ATOM 475 C VAL A 32 5.510 -12.011 -9.265 1.00 0.00 C ATOM 476 O VAL A 32 6.258 -12.928 -9.000 1.00 0.00 O ATOM 477 CB VAL A 32 6.647 -10.178 -8.012 1.00 0.00 C ATOM 478 CG1 VAL A 32 7.300 -9.790 -9.341 1.00 0.00 C ATOM 479 CG2 VAL A 32 6.423 -8.923 -7.169 1.00 0.00 C ATOM 0 H VAL A 32 5.436 -11.684 -6.324 1.00 0.00 H new ATOM 0 HA VAL A 32 4.610 -10.127 -8.708 1.00 0.00 H new ATOM 0 HB VAL A 32 7.299 -10.866 -7.473 1.00 0.00 H new ATOM 0 HG11 VAL A 32 8.258 -9.307 -9.148 1.00 0.00 H new ATOM 0 HG12 VAL A 32 7.459 -10.685 -9.943 1.00 0.00 H new ATOM 0 HG13 VAL A 32 6.648 -9.102 -9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.380 -8.440 -6.974 1.00 0.00 H new ATOM 0 HG22 VAL A 32 5.772 -8.234 -7.708 1.00 0.00 H new ATOM 0 HG23 VAL A 32 5.957 -9.199 -6.223 1.00 0.00 H new ATOM 489 N ASN A 33 4.847 -11.986 -10.386 1.00 0.00 N ATOM 490 CA ASN A 33 5.020 -13.091 -11.371 1.00 0.00 C ATOM 491 C ASN A 33 6.516 -13.357 -11.576 1.00 0.00 C ATOM 492 O ASN A 33 7.357 -12.668 -11.033 1.00 0.00 O ATOM 493 CB ASN A 33 4.382 -12.695 -12.704 1.00 0.00 C ATOM 494 CG ASN A 33 2.953 -13.236 -12.765 1.00 0.00 C ATOM 495 OD1 ASN A 33 2.745 -14.427 -12.888 1.00 0.00 O ATOM 496 ND2 ASN A 33 1.950 -12.405 -12.684 1.00 0.00 N ATOM 0 H ASN A 33 4.195 -11.252 -10.663 1.00 0.00 H new ATOM 0 HA ASN A 33 4.537 -13.993 -10.996 1.00 0.00 H new ATOM 0 HB2 ASN A 33 4.376 -11.610 -12.809 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.968 -13.092 -13.532 1.00 0.00 H new ATOM 0 HD21 ASN A 33 0.993 -12.755 -12.724 1.00 0.00 H new ATOM 0 HD22 ASN A 33 2.123 -11.405 -12.581 1.00 0.00 H new ATOM 503 N LYS A 34 6.855 -14.347 -12.356 1.00 0.00 N ATOM 504 CA LYS A 34 8.296 -14.651 -12.591 1.00 0.00 C ATOM 505 C LYS A 34 8.851 -13.741 -13.689 1.00 0.00 C ATOM 506 O LYS A 34 9.612 -12.831 -13.429 1.00 0.00 O ATOM 507 CB LYS A 34 8.443 -16.112 -13.018 1.00 0.00 C ATOM 508 CG LYS A 34 9.924 -16.494 -13.026 1.00 0.00 C ATOM 509 CD LYS A 34 10.479 -16.351 -14.446 1.00 0.00 C ATOM 510 CE LYS A 34 10.828 -17.734 -14.999 1.00 0.00 C ATOM 511 NZ LYS A 34 12.199 -17.704 -15.581 1.00 0.00 N ATOM 0 H LYS A 34 6.198 -14.958 -12.840 1.00 0.00 H new ATOM 0 HA LYS A 34 8.853 -14.479 -11.670 1.00 0.00 H new ATOM 0 HB2 LYS A 34 7.893 -16.759 -12.334 1.00 0.00 H new ATOM 0 HB3 LYS A 34 8.014 -16.257 -14.009 1.00 0.00 H new ATOM 0 HG2 LYS A 34 10.480 -15.854 -12.341 1.00 0.00 H new ATOM 0 HG3 LYS A 34 10.048 -17.519 -12.677 1.00 0.00 H new ATOM 0 HD2 LYS A 34 9.744 -15.866 -15.088 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.365 -15.716 -14.439 1.00 0.00 H new ATOM 0 HE2 LYS A 34 10.774 -18.479 -14.205 1.00 0.00 H new ATOM 0 HE3 LYS A 34 10.105 -18.026 -15.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.437 -18.644 -15.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.235 -17.004 -16.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 12.884 -17.443 -14.843 1.00 0.00 H new ATOM 525 N GLY A 35 8.477 -13.980 -14.917 1.00 0.00 N ATOM 526 CA GLY A 35 8.984 -13.130 -16.031 1.00 0.00 C ATOM 527 C GLY A 35 8.538 -11.680 -15.826 1.00 0.00 C ATOM 528 O GLY A 35 9.139 -10.759 -16.341 1.00 0.00 O ATOM 0 H GLY A 35 7.842 -14.728 -15.196 1.00 0.00 H new ATOM 0 HA2 GLY A 35 10.072 -13.182 -16.073 1.00 0.00 H new ATOM 0 HA3 GLY A 35 8.609 -13.503 -16.984 1.00 0.00 H new ATOM 532 N SER A 36 7.487 -11.468 -15.083 1.00 0.00 N ATOM 533 CA SER A 36 7.007 -10.081 -14.849 1.00 0.00 C ATOM 534 C SER A 36 8.109 -9.248 -14.188 1.00 0.00 C ATOM 535 O SER A 36 8.180 -8.048 -14.364 1.00 0.00 O ATOM 536 CB SER A 36 5.779 -10.113 -13.938 1.00 0.00 C ATOM 537 OG SER A 36 5.475 -8.794 -13.506 1.00 0.00 O ATOM 0 H SER A 36 6.940 -12.199 -14.628 1.00 0.00 H new ATOM 0 HA SER A 36 6.743 -9.630 -15.806 1.00 0.00 H new ATOM 0 HB2 SER A 36 4.928 -10.538 -14.471 1.00 0.00 H new ATOM 0 HB3 SER A 36 5.968 -10.754 -13.077 1.00 0.00 H new ATOM 0 HG SER A 36 4.687 -8.814 -12.923 1.00 0.00 H new ATOM 543 N LEU A 37 8.971 -9.870 -13.429 1.00 0.00 N ATOM 544 CA LEU A 37 10.062 -9.105 -12.763 1.00 0.00 C ATOM 545 C LEU A 37 11.288 -9.078 -13.672 1.00 0.00 C ATOM 546 O LEU A 37 11.884 -8.046 -13.899 1.00 0.00 O ATOM 547 CB LEU A 37 10.426 -9.781 -11.439 1.00 0.00 C ATOM 548 CG LEU A 37 10.880 -8.719 -10.434 1.00 0.00 C ATOM 549 CD1 LEU A 37 11.312 -9.400 -9.133 1.00 0.00 C ATOM 550 CD2 LEU A 37 12.059 -7.934 -11.014 1.00 0.00 C ATOM 0 H LEU A 37 8.966 -10.873 -13.242 1.00 0.00 H new ATOM 0 HA LEU A 37 9.727 -8.086 -12.570 1.00 0.00 H new ATOM 0 HB2 LEU A 37 9.566 -10.325 -11.047 1.00 0.00 H new ATOM 0 HB3 LEU A 37 11.220 -10.511 -11.597 1.00 0.00 H new ATOM 0 HG LEU A 37 10.055 -8.036 -10.232 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.635 -8.645 -8.417 1.00 0.00 H new ATOM 0 HD12 LEU A 37 10.472 -9.958 -8.718 1.00 0.00 H new ATOM 0 HD13 LEU A 37 12.136 -10.084 -9.336 1.00 0.00 H new ATOM 0 HD21 LEU A 37 12.381 -7.178 -10.297 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.885 -8.616 -11.218 1.00 0.00 H new ATOM 0 HD23 LEU A 37 11.752 -7.448 -11.940 1.00 0.00 H new ATOM 562 N VAL A 38 11.667 -10.211 -14.196 1.00 0.00 N ATOM 563 CA VAL A 38 12.855 -10.261 -15.092 1.00 0.00 C ATOM 564 C VAL A 38 12.469 -9.794 -16.496 1.00 0.00 C ATOM 565 O VAL A 38 13.264 -9.836 -17.414 1.00 0.00 O ATOM 566 CB VAL A 38 13.363 -11.697 -15.166 1.00 0.00 C ATOM 567 CG1 VAL A 38 14.557 -11.771 -16.118 1.00 0.00 C ATOM 568 CG2 VAL A 38 13.788 -12.159 -13.771 1.00 0.00 C ATOM 0 H VAL A 38 11.203 -11.106 -14.041 1.00 0.00 H new ATOM 0 HA VAL A 38 13.633 -9.608 -14.696 1.00 0.00 H new ATOM 0 HB VAL A 38 12.568 -12.345 -15.536 1.00 0.00 H new ATOM 0 HG11 VAL A 38 14.918 -12.798 -16.169 1.00 0.00 H new ATOM 0 HG12 VAL A 38 14.251 -11.444 -17.112 1.00 0.00 H new ATOM 0 HG13 VAL A 38 15.354 -11.124 -15.753 1.00 0.00 H new ATOM 0 HG21 VAL A 38 14.151 -13.185 -13.823 1.00 0.00 H new ATOM 0 HG22 VAL A 38 14.582 -11.511 -13.399 1.00 0.00 H new ATOM 0 HG23 VAL A 38 12.934 -12.110 -13.096 1.00 0.00 H new ATOM 578 N ALA A 39 11.257 -9.359 -16.671 1.00 0.00 N ATOM 579 CA ALA A 39 10.817 -8.891 -18.016 1.00 0.00 C ATOM 580 C ALA A 39 11.620 -7.651 -18.427 1.00 0.00 C ATOM 581 O ALA A 39 11.543 -7.201 -19.552 1.00 0.00 O ATOM 582 CB ALA A 39 9.329 -8.540 -17.968 1.00 0.00 C ATOM 0 H ALA A 39 10.547 -9.306 -15.940 1.00 0.00 H new ATOM 0 HA ALA A 39 10.986 -9.684 -18.745 1.00 0.00 H new ATOM 0 HB1 ALA A 39 9.004 -8.197 -18.950 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.756 -9.423 -17.684 1.00 0.00 H new ATOM 0 HB3 ALA A 39 9.165 -7.750 -17.236 1.00 0.00 H new ATOM 588 N LEU A 40 12.390 -7.096 -17.530 1.00 0.00 N ATOM 589 CA LEU A 40 13.190 -5.888 -17.886 1.00 0.00 C ATOM 590 C LEU A 40 14.659 -6.270 -18.074 1.00 0.00 C ATOM 591 O LEU A 40 15.453 -5.494 -18.567 1.00 0.00 O ATOM 592 CB LEU A 40 13.071 -4.851 -16.769 1.00 0.00 C ATOM 593 CG LEU A 40 11.593 -4.578 -16.488 1.00 0.00 C ATOM 594 CD1 LEU A 40 11.351 -4.594 -14.978 1.00 0.00 C ATOM 595 CD2 LEU A 40 11.210 -3.209 -17.053 1.00 0.00 C ATOM 0 H LEU A 40 12.500 -7.425 -16.571 1.00 0.00 H new ATOM 0 HA LEU A 40 12.809 -5.469 -18.817 1.00 0.00 H new ATOM 0 HB2 LEU A 40 13.564 -5.213 -15.867 1.00 0.00 H new ATOM 0 HB3 LEU A 40 13.574 -3.929 -17.058 1.00 0.00 H new ATOM 0 HG LEU A 40 10.984 -5.348 -16.962 1.00 0.00 H new ATOM 0 HD11 LEU A 40 10.298 -4.399 -14.776 1.00 0.00 H new ATOM 0 HD12 LEU A 40 11.623 -5.570 -14.576 1.00 0.00 H new ATOM 0 HD13 LEU A 40 11.959 -3.824 -14.504 1.00 0.00 H new ATOM 0 HD21 LEU A 40 10.156 -3.015 -16.853 1.00 0.00 H new ATOM 0 HD22 LEU A 40 11.818 -2.437 -16.580 1.00 0.00 H new ATOM 0 HD23 LEU A 40 11.383 -3.198 -18.129 1.00 0.00 H new ATOM 607 N GLY A 41 15.031 -7.458 -17.685 1.00 0.00 N ATOM 608 CA GLY A 41 16.451 -7.882 -17.846 1.00 0.00 C ATOM 609 C GLY A 41 17.140 -7.874 -16.482 1.00 0.00 C ATOM 610 O GLY A 41 18.331 -7.658 -16.377 1.00 0.00 O ATOM 0 H GLY A 41 14.415 -8.153 -17.263 1.00 0.00 H new ATOM 0 HA2 GLY A 41 16.497 -8.879 -18.283 1.00 0.00 H new ATOM 0 HA3 GLY A 41 16.968 -7.210 -18.531 1.00 0.00 H new ATOM 614 N PHE A 42 16.397 -8.103 -15.435 1.00 0.00 N ATOM 615 CA PHE A 42 17.006 -8.111 -14.075 1.00 0.00 C ATOM 616 C PHE A 42 18.228 -9.029 -14.068 1.00 0.00 C ATOM 617 O PHE A 42 18.618 -9.569 -15.085 1.00 0.00 O ATOM 618 CB PHE A 42 15.981 -8.621 -13.064 1.00 0.00 C ATOM 619 CG PHE A 42 15.204 -7.438 -12.490 1.00 0.00 C ATOM 620 CD1 PHE A 42 14.121 -6.914 -13.171 1.00 0.00 C ATOM 621 CD2 PHE A 42 15.569 -6.882 -11.278 1.00 0.00 C ATOM 622 CE1 PHE A 42 13.413 -5.855 -12.646 1.00 0.00 C ATOM 623 CE2 PHE A 42 14.861 -5.824 -10.755 1.00 0.00 C ATOM 624 CZ PHE A 42 13.783 -5.308 -11.438 1.00 0.00 C ATOM 0 H PHE A 42 15.394 -8.285 -15.462 1.00 0.00 H new ATOM 0 HA PHE A 42 17.311 -7.099 -13.807 1.00 0.00 H new ATOM 0 HB2 PHE A 42 15.297 -9.321 -13.544 1.00 0.00 H new ATOM 0 HB3 PHE A 42 16.483 -9.164 -12.263 1.00 0.00 H new ATOM 0 HD1 PHE A 42 13.828 -7.337 -14.120 1.00 0.00 H new ATOM 0 HD2 PHE A 42 16.415 -7.280 -10.738 1.00 0.00 H new ATOM 0 HE1 PHE A 42 12.566 -5.453 -13.183 1.00 0.00 H new ATOM 0 HE2 PHE A 42 15.152 -5.398 -9.806 1.00 0.00 H new ATOM 0 HZ PHE A 42 13.229 -4.477 -11.028 1.00 0.00 H new ATOM 634 N SER A 43 18.836 -9.217 -12.929 1.00 0.00 N ATOM 635 CA SER A 43 20.031 -10.102 -12.866 1.00 0.00 C ATOM 636 C SER A 43 20.008 -10.913 -11.572 1.00 0.00 C ATOM 637 O SER A 43 19.370 -10.541 -10.607 1.00 0.00 O ATOM 638 CB SER A 43 21.300 -9.249 -12.912 1.00 0.00 C ATOM 639 OG SER A 43 22.307 -9.938 -13.640 1.00 0.00 O ATOM 0 H SER A 43 18.557 -8.797 -12.042 1.00 0.00 H new ATOM 0 HA SER A 43 20.018 -10.784 -13.716 1.00 0.00 H new ATOM 0 HB2 SER A 43 21.089 -8.289 -13.382 1.00 0.00 H new ATOM 0 HB3 SER A 43 21.647 -9.039 -11.900 1.00 0.00 H new ATOM 0 HG SER A 43 23.120 -9.391 -13.671 1.00 0.00 H new ATOM 645 N ASP A 44 20.691 -12.023 -11.548 1.00 0.00 N ATOM 646 CA ASP A 44 20.710 -12.858 -10.316 1.00 0.00 C ATOM 647 C ASP A 44 21.216 -12.015 -9.146 1.00 0.00 C ATOM 648 O ASP A 44 22.296 -11.461 -9.191 1.00 0.00 O ATOM 649 CB ASP A 44 21.638 -14.056 -10.522 1.00 0.00 C ATOM 650 CG ASP A 44 21.879 -14.747 -9.178 1.00 0.00 C ATOM 651 OD1 ASP A 44 21.134 -14.475 -8.252 1.00 0.00 O ATOM 652 OD2 ASP A 44 22.807 -15.537 -9.098 1.00 0.00 O ATOM 0 H ASP A 44 21.237 -12.388 -12.329 1.00 0.00 H new ATOM 0 HA ASP A 44 19.703 -13.216 -10.102 1.00 0.00 H new ATOM 0 HB2 ASP A 44 21.195 -14.757 -11.230 1.00 0.00 H new ATOM 0 HB3 ASP A 44 22.585 -13.727 -10.950 1.00 0.00 H new ATOM 657 N GLY A 45 20.445 -11.912 -8.102 1.00 0.00 N ATOM 658 CA GLY A 45 20.884 -11.103 -6.932 1.00 0.00 C ATOM 659 C GLY A 45 19.951 -9.902 -6.775 1.00 0.00 C ATOM 660 O GLY A 45 19.642 -9.483 -5.677 1.00 0.00 O ATOM 0 H GLY A 45 19.530 -12.353 -8.007 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.869 -11.711 -6.028 1.00 0.00 H new ATOM 0 HA3 GLY A 45 21.911 -10.765 -7.072 1.00 0.00 H new ATOM 664 N GLN A 46 19.502 -9.342 -7.866 1.00 0.00 N ATOM 665 CA GLN A 46 18.590 -8.169 -7.775 1.00 0.00 C ATOM 666 C GLN A 46 17.162 -8.655 -7.511 1.00 0.00 C ATOM 667 O GLN A 46 16.384 -8.000 -6.847 1.00 0.00 O ATOM 668 CB GLN A 46 18.627 -7.393 -9.093 1.00 0.00 C ATOM 669 CG GLN A 46 19.554 -6.185 -8.951 1.00 0.00 C ATOM 670 CD GLN A 46 19.082 -5.072 -9.890 1.00 0.00 C ATOM 671 OE1 GLN A 46 17.903 -4.796 -9.978 1.00 0.00 O ATOM 672 NE2 GLN A 46 19.961 -4.417 -10.599 1.00 0.00 N ATOM 0 H GLN A 46 19.727 -9.646 -8.813 1.00 0.00 H new ATOM 0 HA GLN A 46 18.911 -7.520 -6.961 1.00 0.00 H new ATOM 0 HB2 GLN A 46 18.976 -8.040 -9.898 1.00 0.00 H new ATOM 0 HB3 GLN A 46 17.623 -7.064 -9.361 1.00 0.00 H new ATOM 0 HG2 GLN A 46 19.554 -5.831 -7.920 1.00 0.00 H new ATOM 0 HG3 GLN A 46 20.579 -6.468 -9.191 1.00 0.00 H new ATOM 0 HE21 GLN A 46 20.951 -4.649 -10.525 1.00 0.00 H new ATOM 0 HE22 GLN A 46 19.657 -3.673 -11.227 1.00 0.00 H new ATOM 681 N GLU A 47 16.816 -9.804 -8.025 1.00 0.00 N ATOM 682 CA GLU A 47 15.441 -10.341 -7.809 1.00 0.00 C ATOM 683 C GLU A 47 15.221 -10.625 -6.322 1.00 0.00 C ATOM 684 O GLU A 47 14.105 -10.794 -5.873 1.00 0.00 O ATOM 685 CB GLU A 47 15.269 -11.639 -8.605 1.00 0.00 C ATOM 686 CG GLU A 47 16.554 -12.469 -8.520 1.00 0.00 C ATOM 687 CD GLU A 47 16.260 -13.912 -8.933 1.00 0.00 C ATOM 688 OE1 GLU A 47 15.987 -14.129 -10.101 1.00 0.00 O ATOM 689 OE2 GLU A 47 16.316 -14.776 -8.073 1.00 0.00 O ATOM 0 H GLU A 47 17.428 -10.396 -8.587 1.00 0.00 H new ATOM 0 HA GLU A 47 14.712 -9.604 -8.146 1.00 0.00 H new ATOM 0 HB2 GLU A 47 14.429 -12.210 -8.211 1.00 0.00 H new ATOM 0 HB3 GLU A 47 15.040 -11.411 -9.646 1.00 0.00 H new ATOM 0 HG2 GLU A 47 17.318 -12.042 -9.170 1.00 0.00 H new ATOM 0 HG3 GLU A 47 16.949 -12.444 -7.504 1.00 0.00 H new ATOM 696 N ALA A 48 16.273 -10.679 -5.553 1.00 0.00 N ATOM 697 CA ALA A 48 16.113 -10.953 -4.096 1.00 0.00 C ATOM 698 C ALA A 48 16.355 -9.669 -3.299 1.00 0.00 C ATOM 699 O ALA A 48 16.037 -9.586 -2.131 1.00 0.00 O ATOM 700 CB ALA A 48 17.121 -12.019 -3.663 1.00 0.00 C ATOM 0 H ALA A 48 17.234 -10.546 -5.868 1.00 0.00 H new ATOM 0 HA ALA A 48 15.101 -11.310 -3.906 1.00 0.00 H new ATOM 0 HB1 ALA A 48 17.004 -12.219 -2.598 1.00 0.00 H new ATOM 0 HB2 ALA A 48 16.946 -12.936 -4.226 1.00 0.00 H new ATOM 0 HB3 ALA A 48 18.133 -11.663 -3.856 1.00 0.00 H new ATOM 706 N ARG A 49 16.913 -8.667 -3.920 1.00 0.00 N ATOM 707 CA ARG A 49 17.173 -7.392 -3.192 1.00 0.00 C ATOM 708 C ARG A 49 16.300 -6.280 -3.781 1.00 0.00 C ATOM 709 O ARG A 49 16.768 -5.480 -4.566 1.00 0.00 O ATOM 710 CB ARG A 49 18.648 -7.013 -3.336 1.00 0.00 C ATOM 711 CG ARG A 49 19.520 -8.124 -2.748 1.00 0.00 C ATOM 712 CD ARG A 49 18.990 -8.510 -1.366 1.00 0.00 C ATOM 713 NE ARG A 49 20.129 -8.916 -0.495 1.00 0.00 N ATOM 714 CZ ARG A 49 19.902 -9.385 0.704 1.00 0.00 C ATOM 715 NH1 ARG A 49 18.677 -9.501 1.143 1.00 0.00 N ATOM 716 NH2 ARG A 49 20.902 -9.739 1.464 1.00 0.00 N ATOM 0 H ARG A 49 17.200 -8.675 -4.899 1.00 0.00 H new ATOM 0 HA ARG A 49 16.933 -7.522 -2.137 1.00 0.00 H new ATOM 0 HB2 ARG A 49 18.894 -6.860 -4.387 1.00 0.00 H new ATOM 0 HB3 ARG A 49 18.844 -6.072 -2.823 1.00 0.00 H new ATOM 0 HG2 ARG A 49 19.515 -8.992 -3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 49 20.554 -7.788 -2.672 1.00 0.00 H new ATOM 0 HD2 ARG A 49 18.459 -7.669 -0.920 1.00 0.00 H new ATOM 0 HD3 ARG A 49 18.275 -9.328 -1.454 1.00 0.00 H new ATOM 0 HE ARG A 49 21.087 -8.828 -0.835 1.00 0.00 H new ATOM 0 HH11 ARG A 49 17.894 -9.225 0.550 1.00 0.00 H new ATOM 0 HH12 ARG A 49 18.503 -9.867 2.079 1.00 0.00 H new ATOM 0 HH21 ARG A 49 21.859 -9.650 1.122 1.00 0.00 H new ATOM 0 HH22 ARG A 49 20.727 -10.105 2.400 1.00 0.00 H new ATOM 730 N PRO A 50 15.055 -6.259 -3.376 1.00 0.00 N ATOM 731 CA PRO A 50 14.090 -5.251 -3.853 1.00 0.00 C ATOM 732 C PRO A 50 14.560 -3.842 -3.470 1.00 0.00 C ATOM 733 O PRO A 50 14.302 -2.882 -4.170 1.00 0.00 O ATOM 734 CB PRO A 50 12.774 -5.600 -3.145 1.00 0.00 C ATOM 735 CG PRO A 50 13.041 -6.822 -2.229 1.00 0.00 C ATOM 736 CD PRO A 50 14.510 -7.233 -2.413 1.00 0.00 C ATOM 0 HA PRO A 50 13.982 -5.259 -4.938 1.00 0.00 H new ATOM 0 HB2 PRO A 50 12.419 -4.753 -2.558 1.00 0.00 H new ATOM 0 HB3 PRO A 50 11.997 -5.831 -3.874 1.00 0.00 H new ATOM 0 HG2 PRO A 50 12.842 -6.570 -1.187 1.00 0.00 H new ATOM 0 HG3 PRO A 50 12.378 -7.647 -2.489 1.00 0.00 H new ATOM 0 HD2 PRO A 50 15.051 -7.200 -1.468 1.00 0.00 H new ATOM 0 HD3 PRO A 50 14.591 -8.252 -2.792 1.00 0.00 H new ATOM 744 N GLU A 51 15.240 -3.709 -2.363 1.00 0.00 N ATOM 745 CA GLU A 51 15.723 -2.362 -1.942 1.00 0.00 C ATOM 746 C GLU A 51 16.652 -1.807 -3.025 1.00 0.00 C ATOM 747 O GLU A 51 16.809 -0.611 -3.172 1.00 0.00 O ATOM 748 CB GLU A 51 16.494 -2.487 -0.626 1.00 0.00 C ATOM 749 CG GLU A 51 17.745 -3.340 -0.849 1.00 0.00 C ATOM 750 CD GLU A 51 18.766 -3.047 0.254 1.00 0.00 C ATOM 751 OE1 GLU A 51 18.344 -2.826 1.378 1.00 0.00 O ATOM 752 OE2 GLU A 51 19.948 -3.048 -0.044 1.00 0.00 O ATOM 0 H GLU A 51 15.482 -4.474 -1.733 1.00 0.00 H new ATOM 0 HA GLU A 51 14.875 -1.691 -1.802 1.00 0.00 H new ATOM 0 HB2 GLU A 51 16.774 -1.499 -0.261 1.00 0.00 H new ATOM 0 HB3 GLU A 51 15.862 -2.941 0.137 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.482 -4.398 -0.844 1.00 0.00 H new ATOM 0 HG3 GLU A 51 18.177 -3.123 -1.826 1.00 0.00 H new ATOM 759 N GLU A 52 17.270 -2.674 -3.781 1.00 0.00 N ATOM 760 CA GLU A 52 18.192 -2.211 -4.858 1.00 0.00 C ATOM 761 C GLU A 52 17.511 -2.377 -6.220 1.00 0.00 C ATOM 762 O GLU A 52 18.033 -1.973 -7.240 1.00 0.00 O ATOM 763 CB GLU A 52 19.471 -3.049 -4.824 1.00 0.00 C ATOM 764 CG GLU A 52 20.500 -2.450 -5.785 1.00 0.00 C ATOM 765 CD GLU A 52 21.901 -2.608 -5.192 1.00 0.00 C ATOM 766 OE1 GLU A 52 22.442 -3.697 -5.284 1.00 0.00 O ATOM 767 OE2 GLU A 52 22.410 -1.637 -4.658 1.00 0.00 O ATOM 0 H GLU A 52 17.176 -3.686 -3.699 1.00 0.00 H new ATOM 0 HA GLU A 52 18.438 -1.161 -4.701 1.00 0.00 H new ATOM 0 HB2 GLU A 52 19.875 -3.075 -3.812 1.00 0.00 H new ATOM 0 HB3 GLU A 52 19.251 -4.079 -5.106 1.00 0.00 H new ATOM 0 HG2 GLU A 52 20.444 -2.949 -6.752 1.00 0.00 H new ATOM 0 HG3 GLU A 52 20.283 -1.396 -5.957 1.00 0.00 H new ATOM 774 N ILE A 53 16.347 -2.968 -6.244 1.00 0.00 N ATOM 775 CA ILE A 53 15.629 -3.161 -7.536 1.00 0.00 C ATOM 776 C ILE A 53 14.945 -1.852 -7.931 1.00 0.00 C ATOM 777 O ILE A 53 14.752 -1.567 -9.097 1.00 0.00 O ATOM 778 CB ILE A 53 14.575 -4.259 -7.367 1.00 0.00 C ATOM 779 CG1 ILE A 53 15.267 -5.622 -7.327 1.00 0.00 C ATOM 780 CG2 ILE A 53 13.592 -4.211 -8.543 1.00 0.00 C ATOM 781 CD1 ILE A 53 14.220 -6.736 -7.398 1.00 0.00 C ATOM 0 H ILE A 53 15.861 -3.326 -5.422 1.00 0.00 H new ATOM 0 HA ILE A 53 16.336 -3.451 -8.313 1.00 0.00 H new ATOM 0 HB ILE A 53 14.029 -4.103 -6.437 1.00 0.00 H new ATOM 0 HG12 ILE A 53 15.964 -5.711 -8.161 1.00 0.00 H new ATOM 0 HG13 ILE A 53 15.851 -5.717 -6.412 1.00 0.00 H new ATOM 0 HG21 ILE A 53 12.842 -4.993 -8.422 1.00 0.00 H new ATOM 0 HG22 ILE A 53 13.101 -3.238 -8.568 1.00 0.00 H new ATOM 0 HG23 ILE A 53 14.133 -4.368 -9.476 1.00 0.00 H new ATOM 0 HD11 ILE A 53 14.718 -7.705 -7.369 1.00 0.00 H new ATOM 0 HD12 ILE A 53 13.541 -6.651 -6.550 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.655 -6.646 -8.326 1.00 0.00 H new ATOM 793 N GLY A 54 14.576 -1.056 -6.967 1.00 0.00 N ATOM 794 CA GLY A 54 13.904 0.235 -7.283 1.00 0.00 C ATOM 795 C GLY A 54 12.394 0.076 -7.099 1.00 0.00 C ATOM 796 O GLY A 54 11.827 0.513 -6.117 1.00 0.00 O ATOM 0 H GLY A 54 14.711 -1.244 -5.973 1.00 0.00 H new ATOM 0 HA2 GLY A 54 14.281 1.023 -6.631 1.00 0.00 H new ATOM 0 HA3 GLY A 54 14.128 0.534 -8.307 1.00 0.00 H new ATOM 800 N TRP A 55 11.741 -0.549 -8.037 1.00 0.00 N ATOM 801 CA TRP A 55 10.267 -0.740 -7.921 1.00 0.00 C ATOM 802 C TRP A 55 9.883 -2.099 -8.507 1.00 0.00 C ATOM 803 O TRP A 55 10.447 -2.546 -9.486 1.00 0.00 O ATOM 804 CB TRP A 55 9.544 0.371 -8.686 1.00 0.00 C ATOM 805 CG TRP A 55 9.566 1.656 -7.856 1.00 0.00 C ATOM 806 CD1 TRP A 55 10.669 2.370 -7.571 1.00 0.00 C ATOM 807 CD2 TRP A 55 8.499 2.227 -7.299 1.00 0.00 C ATOM 808 NE1 TRP A 55 10.207 3.378 -6.828 1.00 0.00 N ATOM 809 CE2 TRP A 55 8.869 3.366 -6.609 1.00 0.00 C ATOM 810 CE3 TRP A 55 7.173 1.842 -7.327 1.00 0.00 C ATOM 811 CZ2 TRP A 55 7.920 4.117 -5.951 1.00 0.00 C ATOM 812 CZ3 TRP A 55 6.223 2.595 -6.668 1.00 0.00 C ATOM 813 CH2 TRP A 55 6.597 3.731 -5.979 1.00 0.00 C ATOM 0 H TRP A 55 12.164 -0.937 -8.880 1.00 0.00 H new ATOM 0 HA TRP A 55 9.977 -0.702 -6.871 1.00 0.00 H new ATOM 0 HB2 TRP A 55 10.027 0.538 -9.649 1.00 0.00 H new ATOM 0 HB3 TRP A 55 8.515 0.076 -8.892 1.00 0.00 H new ATOM 0 HD1 TRP A 55 11.688 2.174 -7.872 1.00 0.00 H new ATOM 0 HE1 TRP A 55 10.816 4.105 -6.452 1.00 0.00 H new ATOM 0 HE3 TRP A 55 6.880 0.952 -7.864 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 8.212 5.007 -5.414 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 5.186 2.295 -6.691 1.00 0.00 H new ATOM 0 HH2 TRP A 55 5.853 4.318 -5.461 1.00 0.00 H new ATOM 824 N LEU A 56 8.927 -2.760 -7.915 1.00 0.00 N ATOM 825 CA LEU A 56 8.506 -4.089 -8.436 1.00 0.00 C ATOM 826 C LEU A 56 6.988 -4.121 -8.604 1.00 0.00 C ATOM 827 O LEU A 56 6.267 -3.348 -8.005 1.00 0.00 O ATOM 828 CB LEU A 56 8.923 -5.183 -7.449 1.00 0.00 C ATOM 829 CG LEU A 56 10.218 -4.773 -6.748 1.00 0.00 C ATOM 830 CD1 LEU A 56 9.889 -4.185 -5.376 1.00 0.00 C ATOM 831 CD2 LEU A 56 11.113 -5.999 -6.575 1.00 0.00 C ATOM 0 H LEU A 56 8.419 -2.436 -7.092 1.00 0.00 H new ATOM 0 HA LEU A 56 8.984 -4.261 -9.400 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.134 -5.344 -6.714 1.00 0.00 H new ATOM 0 HB3 LEU A 56 9.065 -6.127 -7.975 1.00 0.00 H new ATOM 0 HG LEU A 56 10.737 -4.026 -7.349 1.00 0.00 H new ATOM 0 HD11 LEU A 56 10.812 -3.892 -4.875 1.00 0.00 H new ATOM 0 HD12 LEU A 56 9.249 -3.311 -5.499 1.00 0.00 H new ATOM 0 HD13 LEU A 56 9.371 -4.932 -4.775 1.00 0.00 H new ATOM 0 HD21 LEU A 56 12.037 -5.708 -6.075 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.595 -6.746 -5.973 1.00 0.00 H new ATOM 0 HD23 LEU A 56 11.347 -6.420 -7.553 1.00 0.00 H new ATOM 843 N ASN A 57 6.501 -5.004 -9.429 1.00 0.00 N ATOM 844 CA ASN A 57 5.032 -5.099 -9.648 1.00 0.00 C ATOM 845 C ASN A 57 4.556 -6.441 -9.091 1.00 0.00 C ATOM 846 O ASN A 57 4.883 -7.487 -9.614 1.00 0.00 O ATOM 847 CB ASN A 57 4.728 -5.025 -11.145 1.00 0.00 C ATOM 848 CG ASN A 57 3.824 -3.822 -11.426 1.00 0.00 C ATOM 849 OD1 ASN A 57 2.592 -3.831 -10.995 1.00 0.00 O flip ATOM 850 ND2 ASN A 57 4.243 -2.865 -12.045 1.00 0.00 N flip ATOM 0 H ASN A 57 7.061 -5.668 -9.964 1.00 0.00 H new ATOM 0 HA ASN A 57 4.520 -4.278 -9.146 1.00 0.00 H new ATOM 0 HB2 ASN A 57 5.655 -4.936 -11.711 1.00 0.00 H new ATOM 0 HB3 ASN A 57 4.241 -5.943 -11.473 1.00 0.00 H new ATOM 0 HD21 ASN A 57 5.206 -2.857 -12.382 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.632 -2.069 -12.228 1.00 0.00 H new ATOM 857 N GLY A 58 3.789 -6.428 -8.037 1.00 0.00 N ATOM 858 CA GLY A 58 3.308 -7.717 -7.466 1.00 0.00 C ATOM 859 C GLY A 58 1.818 -7.637 -7.148 1.00 0.00 C ATOM 860 O GLY A 58 1.145 -6.687 -7.498 1.00 0.00 O ATOM 0 H GLY A 58 3.476 -5.588 -7.549 1.00 0.00 H new ATOM 0 HA2 GLY A 58 3.492 -8.526 -8.173 1.00 0.00 H new ATOM 0 HA3 GLY A 58 3.867 -7.952 -6.560 1.00 0.00 H new ATOM 864 N TYR A 59 1.299 -8.634 -6.485 1.00 0.00 N ATOM 865 CA TYR A 59 -0.149 -8.624 -6.139 1.00 0.00 C ATOM 866 C TYR A 59 -0.325 -8.695 -4.619 1.00 0.00 C ATOM 867 O TYR A 59 -0.066 -9.708 -4.002 1.00 0.00 O ATOM 868 CB TYR A 59 -0.835 -9.836 -6.774 1.00 0.00 C ATOM 869 CG TYR A 59 -2.351 -9.670 -6.659 1.00 0.00 C ATOM 870 CD1 TYR A 59 -3.058 -8.991 -7.629 1.00 0.00 C ATOM 871 CD2 TYR A 59 -3.029 -10.177 -5.570 1.00 0.00 C ATOM 872 CE1 TYR A 59 -4.419 -8.819 -7.512 1.00 0.00 C ATOM 873 CE2 TYR A 59 -4.392 -10.007 -5.452 1.00 0.00 C ATOM 874 CZ TYR A 59 -5.099 -9.326 -6.423 1.00 0.00 C ATOM 875 OH TYR A 59 -6.463 -9.153 -6.306 1.00 0.00 O ATOM 0 H TYR A 59 1.816 -9.455 -6.168 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.595 -7.703 -6.515 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -0.545 -9.927 -7.821 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -0.518 -10.752 -6.275 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.540 -8.591 -8.488 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.488 -10.712 -4.803 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.959 -8.283 -8.279 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.910 -10.409 -4.594 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.714 -8.279 -6.671 1.00 0.00 H new ATOM 885 N ASN A 60 -0.760 -7.629 -4.005 1.00 0.00 N ATOM 886 CA ASN A 60 -0.948 -7.653 -2.528 1.00 0.00 C ATOM 887 C ASN A 60 -2.266 -8.360 -2.208 1.00 0.00 C ATOM 888 O ASN A 60 -3.327 -7.772 -2.268 1.00 0.00 O ATOM 889 CB ASN A 60 -0.995 -6.220 -1.993 1.00 0.00 C ATOM 890 CG ASN A 60 0.387 -5.826 -1.471 1.00 0.00 C ATOM 891 OD1 ASN A 60 1.026 -6.585 -0.771 1.00 0.00 O ATOM 892 ND2 ASN A 60 0.879 -4.659 -1.785 1.00 0.00 N ATOM 0 H ASN A 60 -0.992 -6.746 -4.460 1.00 0.00 H new ATOM 0 HA ASN A 60 -0.119 -8.183 -2.059 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -1.306 -5.536 -2.782 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -1.733 -6.142 -1.195 1.00 0.00 H new ATOM 0 HD21 ASN A 60 1.800 -4.385 -1.442 1.00 0.00 H new ATOM 0 HD22 ASN A 60 0.343 -4.021 -2.373 1.00 0.00 H new ATOM 899 N GLU A 61 -2.207 -9.621 -1.871 1.00 0.00 N ATOM 900 CA GLU A 61 -3.458 -10.365 -1.547 1.00 0.00 C ATOM 901 C GLU A 61 -4.131 -9.740 -0.324 1.00 0.00 C ATOM 902 O GLU A 61 -5.342 -9.678 -0.235 1.00 0.00 O ATOM 903 CB GLU A 61 -3.122 -11.826 -1.248 1.00 0.00 C ATOM 904 CG GLU A 61 -2.481 -12.471 -2.479 1.00 0.00 C ATOM 905 CD GLU A 61 -3.136 -13.828 -2.743 1.00 0.00 C ATOM 906 OE1 GLU A 61 -4.355 -13.892 -2.715 1.00 0.00 O ATOM 907 OE2 GLU A 61 -2.409 -14.781 -2.970 1.00 0.00 O ATOM 0 H GLU A 61 -1.348 -10.167 -1.806 1.00 0.00 H new ATOM 0 HA GLU A 61 -4.136 -10.312 -2.399 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.442 -11.886 -0.398 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.026 -12.368 -0.971 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -2.601 -11.822 -3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.410 -12.597 -2.321 1.00 0.00 H new ATOM 914 N THR A 62 -3.360 -9.277 0.623 1.00 0.00 N ATOM 915 CA THR A 62 -3.967 -8.659 1.836 1.00 0.00 C ATOM 916 C THR A 62 -5.005 -7.618 1.410 1.00 0.00 C ATOM 917 O THR A 62 -5.893 -7.268 2.162 1.00 0.00 O ATOM 918 CB THR A 62 -2.878 -7.986 2.676 1.00 0.00 C ATOM 919 OG1 THR A 62 -2.012 -8.979 3.208 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.528 -7.208 3.821 1.00 0.00 C ATOM 0 H THR A 62 -2.340 -9.300 0.609 1.00 0.00 H new ATOM 0 HA THR A 62 -4.450 -9.433 2.433 1.00 0.00 H new ATOM 0 HB THR A 62 -2.305 -7.301 2.051 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.382 -9.269 2.515 1.00 0.00 H new ATOM 0 HG21 THR A 62 -2.754 -6.728 4.420 1.00 0.00 H new ATOM 0 HG22 THR A 62 -4.194 -6.448 3.412 1.00 0.00 H new ATOM 0 HG23 THR A 62 -4.100 -7.893 4.448 1.00 0.00 H new ATOM 928 N THR A 63 -4.901 -7.120 0.207 1.00 0.00 N ATOM 929 CA THR A 63 -5.882 -6.103 -0.266 1.00 0.00 C ATOM 930 C THR A 63 -6.470 -6.545 -1.608 1.00 0.00 C ATOM 931 O THR A 63 -7.339 -5.898 -2.159 1.00 0.00 O ATOM 932 CB THR A 63 -5.180 -4.753 -0.437 1.00 0.00 C ATOM 933 OG1 THR A 63 -6.143 -3.761 -0.769 1.00 0.00 O ATOM 934 CG2 THR A 63 -4.140 -4.851 -1.553 1.00 0.00 C ATOM 0 H THR A 63 -4.179 -7.374 -0.468 1.00 0.00 H new ATOM 0 HA THR A 63 -6.682 -6.005 0.467 1.00 0.00 H new ATOM 0 HB THR A 63 -4.682 -4.482 0.494 1.00 0.00 H new ATOM 0 HG1 THR A 63 -6.856 -4.164 -1.307 1.00 0.00 H new ATOM 0 HG21 THR A 63 -3.642 -3.889 -1.672 1.00 0.00 H new ATOM 0 HG22 THR A 63 -3.402 -5.612 -1.297 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.633 -5.123 -2.487 1.00 0.00 H new ATOM 942 N GLY A 64 -6.004 -7.643 -2.141 1.00 0.00 N ATOM 943 CA GLY A 64 -6.538 -8.124 -3.446 1.00 0.00 C ATOM 944 C GLY A 64 -6.309 -7.057 -4.519 1.00 0.00 C ATOM 945 O GLY A 64 -7.193 -6.736 -5.286 1.00 0.00 O ATOM 0 H GLY A 64 -5.277 -8.227 -1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -6.045 -9.053 -3.732 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -7.602 -8.342 -3.357 1.00 0.00 H new ATOM 949 N GLU A 65 -5.128 -6.505 -4.579 1.00 0.00 N ATOM 950 CA GLU A 65 -4.849 -5.459 -5.604 1.00 0.00 C ATOM 951 C GLU A 65 -3.478 -5.712 -6.231 1.00 0.00 C ATOM 952 O GLU A 65 -2.650 -6.410 -5.678 1.00 0.00 O ATOM 953 CB GLU A 65 -4.862 -4.079 -4.944 1.00 0.00 C ATOM 954 CG GLU A 65 -6.263 -3.787 -4.401 1.00 0.00 C ATOM 955 CD GLU A 65 -7.159 -3.294 -5.538 1.00 0.00 C ATOM 956 OE1 GLU A 65 -6.912 -3.677 -6.670 1.00 0.00 O ATOM 957 OE2 GLU A 65 -8.078 -2.542 -5.258 1.00 0.00 O ATOM 0 H GLU A 65 -4.346 -6.732 -3.965 1.00 0.00 H new ATOM 0 HA GLU A 65 -5.615 -5.497 -6.378 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -4.132 -4.044 -4.135 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -4.574 -3.316 -5.667 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -6.686 -4.687 -3.954 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -6.210 -3.035 -3.614 1.00 0.00 H new ATOM 964 N ARG A 66 -3.230 -5.148 -7.381 1.00 0.00 N ATOM 965 CA ARG A 66 -1.911 -5.355 -8.044 1.00 0.00 C ATOM 966 C ARG A 66 -1.359 -4.008 -8.510 1.00 0.00 C ATOM 967 O ARG A 66 -2.099 -3.079 -8.768 1.00 0.00 O ATOM 968 CB ARG A 66 -2.084 -6.274 -9.252 1.00 0.00 C ATOM 969 CG ARG A 66 -0.833 -7.139 -9.414 1.00 0.00 C ATOM 970 CD ARG A 66 -0.838 -7.787 -10.798 1.00 0.00 C ATOM 971 NE ARG A 66 -1.282 -9.205 -10.685 1.00 0.00 N ATOM 972 CZ ARG A 66 -1.574 -9.890 -11.758 1.00 0.00 C ATOM 973 NH1 ARG A 66 -1.475 -9.334 -12.937 1.00 0.00 N ATOM 974 NH2 ARG A 66 -1.964 -11.130 -11.653 1.00 0.00 N ATOM 0 H ARG A 66 -3.883 -4.553 -7.890 1.00 0.00 H new ATOM 0 HA ARG A 66 -1.218 -5.810 -7.336 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -2.962 -6.906 -9.120 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -2.250 -5.682 -10.152 1.00 0.00 H new ATOM 0 HG2 ARG A 66 0.062 -6.530 -9.289 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -0.806 -7.907 -8.641 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -1.504 -7.239 -11.465 1.00 0.00 H new ATOM 0 HD3 ARG A 66 0.159 -7.741 -11.235 1.00 0.00 H new ATOM 0 HE ARG A 66 -1.358 -9.642 -9.767 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -1.169 -8.364 -13.020 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -1.703 -9.870 -13.774 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -2.041 -11.564 -10.733 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -2.192 -11.666 -12.491 1.00 0.00 H new ATOM 988 N GLY A 67 -0.063 -3.890 -8.623 1.00 0.00 N ATOM 989 CA GLY A 67 0.523 -2.597 -9.075 1.00 0.00 C ATOM 990 C GLY A 67 2.013 -2.548 -8.726 1.00 0.00 C ATOM 991 O GLY A 67 2.598 -3.529 -8.307 1.00 0.00 O ATOM 0 H GLY A 67 0.611 -4.629 -8.423 1.00 0.00 H new ATOM 0 HA2 GLY A 67 0.389 -2.484 -10.151 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.002 -1.766 -8.600 1.00 0.00 H new ATOM 995 N ASP A 68 2.628 -1.408 -8.899 1.00 0.00 N ATOM 996 CA ASP A 68 4.078 -1.282 -8.582 1.00 0.00 C ATOM 997 C ASP A 68 4.250 -0.829 -7.131 1.00 0.00 C ATOM 998 O ASP A 68 3.304 -0.446 -6.472 1.00 0.00 O ATOM 999 CB ASP A 68 4.714 -0.250 -9.516 1.00 0.00 C ATOM 1000 CG ASP A 68 4.041 1.108 -9.307 1.00 0.00 C ATOM 1001 OD1 ASP A 68 3.899 1.507 -8.164 1.00 0.00 O ATOM 1002 OD2 ASP A 68 3.677 1.724 -10.295 1.00 0.00 O ATOM 0 H ASP A 68 2.186 -0.557 -9.247 1.00 0.00 H new ATOM 0 HA ASP A 68 4.564 -2.248 -8.719 1.00 0.00 H new ATOM 0 HB2 ASP A 68 5.783 -0.173 -9.317 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.605 -0.566 -10.553 1.00 0.00 H new ATOM 1007 N PHE A 69 5.454 -0.871 -6.630 1.00 0.00 N ATOM 1008 CA PHE A 69 5.697 -0.446 -5.223 1.00 0.00 C ATOM 1009 C PHE A 69 7.203 -0.462 -4.946 1.00 0.00 C ATOM 1010 O PHE A 69 7.909 -1.318 -5.440 1.00 0.00 O ATOM 1011 CB PHE A 69 5.001 -1.423 -4.274 1.00 0.00 C ATOM 1012 CG PHE A 69 5.506 -2.839 -4.558 1.00 0.00 C ATOM 1013 CD1 PHE A 69 5.122 -3.501 -5.709 1.00 0.00 C ATOM 1014 CD2 PHE A 69 6.370 -3.465 -3.678 1.00 0.00 C ATOM 1015 CE1 PHE A 69 5.597 -4.768 -5.978 1.00 0.00 C ATOM 1016 CE2 PHE A 69 6.844 -4.732 -3.948 1.00 0.00 C ATOM 1017 CZ PHE A 69 6.457 -5.383 -5.098 1.00 0.00 C ATOM 0 H PHE A 69 6.283 -1.183 -7.137 1.00 0.00 H new ATOM 0 HA PHE A 69 5.304 0.559 -5.069 1.00 0.00 H new ATOM 0 HB2 PHE A 69 5.205 -1.151 -3.238 1.00 0.00 H new ATOM 0 HB3 PHE A 69 3.921 -1.374 -4.410 1.00 0.00 H new ATOM 0 HD1 PHE A 69 4.446 -3.023 -6.402 1.00 0.00 H new ATOM 0 HD2 PHE A 69 6.675 -2.959 -2.774 1.00 0.00 H new ATOM 0 HE1 PHE A 69 5.293 -5.278 -6.880 1.00 0.00 H new ATOM 0 HE2 PHE A 69 7.519 -5.214 -3.257 1.00 0.00 H new ATOM 0 HZ PHE A 69 6.828 -6.375 -5.309 1.00 0.00 H new ATOM 1027 N PRO A 70 7.655 0.480 -4.161 1.00 0.00 N ATOM 1028 CA PRO A 70 9.082 0.581 -3.812 1.00 0.00 C ATOM 1029 C PRO A 70 9.565 -0.739 -3.204 1.00 0.00 C ATOM 1030 O PRO A 70 9.088 -1.172 -2.174 1.00 0.00 O ATOM 1031 CB PRO A 70 9.156 1.726 -2.793 1.00 0.00 C ATOM 1032 CG PRO A 70 7.743 2.364 -2.705 1.00 0.00 C ATOM 1033 CD PRO A 70 6.789 1.505 -3.551 1.00 0.00 C ATOM 0 HA PRO A 70 9.717 0.774 -4.676 1.00 0.00 H new ATOM 0 HB2 PRO A 70 9.469 1.352 -1.818 1.00 0.00 H new ATOM 0 HB3 PRO A 70 9.893 2.467 -3.102 1.00 0.00 H new ATOM 0 HG2 PRO A 70 7.405 2.404 -1.669 1.00 0.00 H new ATOM 0 HG3 PRO A 70 7.763 3.390 -3.074 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.012 1.052 -2.935 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.286 2.103 -4.311 1.00 0.00 H new ATOM 1041 N GLY A 71 10.508 -1.380 -3.840 1.00 0.00 N ATOM 1042 CA GLY A 71 11.029 -2.675 -3.311 1.00 0.00 C ATOM 1043 C GLY A 71 11.691 -2.462 -1.948 1.00 0.00 C ATOM 1044 O GLY A 71 11.801 -3.371 -1.151 1.00 0.00 O ATOM 0 H GLY A 71 10.942 -1.062 -4.706 1.00 0.00 H new ATOM 0 HA2 GLY A 71 10.214 -3.393 -3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 71 11.749 -3.099 -4.011 1.00 0.00 H new ATOM 1048 N THR A 72 12.137 -1.273 -1.670 1.00 0.00 N ATOM 1049 CA THR A 72 12.790 -1.024 -0.357 1.00 0.00 C ATOM 1050 C THR A 72 11.819 -1.360 0.780 1.00 0.00 C ATOM 1051 O THR A 72 12.222 -1.575 1.906 1.00 0.00 O ATOM 1052 CB THR A 72 13.195 0.446 -0.265 1.00 0.00 C ATOM 1053 OG1 THR A 72 12.051 1.237 0.029 1.00 0.00 O ATOM 1054 CG2 THR A 72 13.800 0.895 -1.596 1.00 0.00 C ATOM 0 H THR A 72 12.079 -0.466 -2.291 1.00 0.00 H new ATOM 0 HA THR A 72 13.675 -1.655 -0.269 1.00 0.00 H new ATOM 0 HB THR A 72 13.933 0.569 0.527 1.00 0.00 H new ATOM 0 HG1 THR A 72 11.885 1.226 0.995 1.00 0.00 H new ATOM 0 HG21 THR A 72 14.089 1.944 -1.529 1.00 0.00 H new ATOM 0 HG22 THR A 72 14.679 0.290 -1.818 1.00 0.00 H new ATOM 0 HG23 THR A 72 13.064 0.771 -2.390 1.00 0.00 H new ATOM 1062 N TYR A 73 10.545 -1.410 0.498 1.00 0.00 N ATOM 1063 CA TYR A 73 9.558 -1.730 1.570 1.00 0.00 C ATOM 1064 C TYR A 73 9.085 -3.182 1.458 1.00 0.00 C ATOM 1065 O TYR A 73 7.976 -3.508 1.831 1.00 0.00 O ATOM 1066 CB TYR A 73 8.363 -0.795 1.435 1.00 0.00 C ATOM 1067 CG TYR A 73 8.873 0.637 1.330 1.00 0.00 C ATOM 1068 CD1 TYR A 73 9.746 1.137 2.271 1.00 0.00 C ATOM 1069 CD2 TYR A 73 8.469 1.447 0.295 1.00 0.00 C ATOM 1070 CE1 TYR A 73 10.206 2.430 2.181 1.00 0.00 C ATOM 1071 CE2 TYR A 73 8.929 2.743 0.200 1.00 0.00 C ATOM 1072 CZ TYR A 73 9.802 3.246 1.143 1.00 0.00 C ATOM 1073 OH TYR A 73 10.262 4.545 1.052 1.00 0.00 O ATOM 0 H TYR A 73 10.145 -1.244 -0.426 1.00 0.00 H new ATOM 0 HA TYR A 73 10.034 -1.598 2.541 1.00 0.00 H new ATOM 0 HB2 TYR A 73 7.779 -1.054 0.552 1.00 0.00 H new ATOM 0 HB3 TYR A 73 7.703 -0.899 2.296 1.00 0.00 H new ATOM 0 HD1 TYR A 73 10.072 0.508 3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 73 7.786 1.065 -0.449 1.00 0.00 H new ATOM 0 HE1 TYR A 73 10.888 2.810 2.927 1.00 0.00 H new ATOM 0 HE2 TYR A 73 8.604 3.369 -0.618 1.00 0.00 H new ATOM 0 HH TYR A 73 9.877 4.974 0.260 1.00 0.00 H new ATOM 1083 N VAL A 74 9.908 -4.056 0.948 1.00 0.00 N ATOM 1084 CA VAL A 74 9.495 -5.484 0.820 1.00 0.00 C ATOM 1085 C VAL A 74 10.689 -6.375 1.147 1.00 0.00 C ATOM 1086 O VAL A 74 11.809 -5.914 1.241 1.00 0.00 O ATOM 1087 CB VAL A 74 9.029 -5.776 -0.609 1.00 0.00 C ATOM 1088 CG1 VAL A 74 7.611 -5.245 -0.805 1.00 0.00 C ATOM 1089 CG2 VAL A 74 9.968 -5.094 -1.601 1.00 0.00 C ATOM 0 H VAL A 74 10.848 -3.844 0.614 1.00 0.00 H new ATOM 0 HA VAL A 74 8.674 -5.682 1.509 1.00 0.00 H new ATOM 0 HB VAL A 74 9.039 -6.853 -0.779 1.00 0.00 H new ATOM 0 HG11 VAL A 74 7.282 -5.454 -1.823 1.00 0.00 H new ATOM 0 HG12 VAL A 74 6.939 -5.733 -0.099 1.00 0.00 H new ATOM 0 HG13 VAL A 74 7.599 -4.169 -0.634 1.00 0.00 H new ATOM 0 HG21 VAL A 74 9.636 -5.302 -2.618 1.00 0.00 H new ATOM 0 HG22 VAL A 74 9.959 -4.018 -1.429 1.00 0.00 H new ATOM 0 HG23 VAL A 74 10.980 -5.475 -1.465 1.00 0.00 H new ATOM 1099 N GLU A 75 10.468 -7.647 1.322 1.00 0.00 N ATOM 1100 CA GLU A 75 11.608 -8.546 1.643 1.00 0.00 C ATOM 1101 C GLU A 75 11.473 -9.858 0.869 1.00 0.00 C ATOM 1102 O GLU A 75 10.875 -10.807 1.338 1.00 0.00 O ATOM 1103 CB GLU A 75 11.631 -8.833 3.145 1.00 0.00 C ATOM 1104 CG GLU A 75 10.345 -9.551 3.549 1.00 0.00 C ATOM 1105 CD GLU A 75 10.038 -9.256 5.019 1.00 0.00 C ATOM 1106 OE1 GLU A 75 10.776 -9.735 5.865 1.00 0.00 O ATOM 1107 OE2 GLU A 75 9.074 -8.554 5.274 1.00 0.00 O ATOM 0 H GLU A 75 9.556 -8.099 1.257 1.00 0.00 H new ATOM 0 HA GLU A 75 12.539 -8.057 1.355 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.496 -9.447 3.395 1.00 0.00 H new ATOM 0 HB3 GLU A 75 11.730 -7.901 3.702 1.00 0.00 H new ATOM 0 HG2 GLU A 75 9.518 -9.221 2.920 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.452 -10.625 3.397 1.00 0.00 H new ATOM 1114 N TYR A 76 12.006 -9.903 -0.323 1.00 0.00 N ATOM 1115 CA TYR A 76 11.925 -11.144 -1.148 1.00 0.00 C ATOM 1116 C TYR A 76 12.098 -12.374 -0.252 1.00 0.00 C ATOM 1117 O TYR A 76 13.070 -12.499 0.466 1.00 0.00 O ATOM 1118 CB TYR A 76 13.045 -11.122 -2.188 1.00 0.00 C ATOM 1119 CG TYR A 76 13.121 -12.483 -2.875 1.00 0.00 C ATOM 1120 CD1 TYR A 76 12.117 -12.889 -3.726 1.00 0.00 C ATOM 1121 CD2 TYR A 76 14.190 -13.324 -2.650 1.00 0.00 C ATOM 1122 CE1 TYR A 76 12.180 -14.117 -4.344 1.00 0.00 C ATOM 1123 CE2 TYR A 76 14.254 -14.554 -3.268 1.00 0.00 C ATOM 1124 CZ TYR A 76 13.248 -14.961 -4.121 1.00 0.00 C ATOM 1125 OH TYR A 76 13.310 -16.193 -4.741 1.00 0.00 O ATOM 0 H TYR A 76 12.498 -9.126 -0.764 1.00 0.00 H new ATOM 0 HA TYR A 76 10.954 -11.190 -1.641 1.00 0.00 H new ATOM 0 HB2 TYR A 76 12.858 -10.340 -2.924 1.00 0.00 H new ATOM 0 HB3 TYR A 76 13.997 -10.889 -1.710 1.00 0.00 H new ATOM 0 HD1 TYR A 76 11.274 -12.239 -3.910 1.00 0.00 H new ATOM 0 HD2 TYR A 76 14.983 -13.017 -1.985 1.00 0.00 H new ATOM 0 HE1 TYR A 76 11.386 -14.423 -5.009 1.00 0.00 H new ATOM 0 HE2 TYR A 76 15.097 -15.204 -3.084 1.00 0.00 H new ATOM 0 HH TYR A 76 13.515 -16.884 -4.077 1.00 0.00 H new ATOM 1135 N ILE A 77 11.163 -13.284 -0.290 1.00 0.00 N ATOM 1136 CA ILE A 77 11.275 -14.503 0.560 1.00 0.00 C ATOM 1137 C ILE A 77 11.226 -15.752 -0.333 1.00 0.00 C ATOM 1138 O ILE A 77 11.194 -16.867 0.147 1.00 0.00 O ATOM 1139 CB ILE A 77 10.127 -14.500 1.594 1.00 0.00 C ATOM 1140 CG1 ILE A 77 10.720 -14.486 3.004 1.00 0.00 C ATOM 1141 CG2 ILE A 77 9.232 -15.740 1.444 1.00 0.00 C ATOM 1142 CD1 ILE A 77 11.664 -13.291 3.148 1.00 0.00 C ATOM 0 H ILE A 77 10.327 -13.236 -0.873 1.00 0.00 H new ATOM 0 HA ILE A 77 12.223 -14.511 1.098 1.00 0.00 H new ATOM 0 HB ILE A 77 9.518 -13.612 1.422 1.00 0.00 H new ATOM 0 HG12 ILE A 77 9.923 -14.425 3.745 1.00 0.00 H new ATOM 0 HG13 ILE A 77 11.260 -15.414 3.192 1.00 0.00 H new ATOM 0 HG21 ILE A 77 8.435 -15.706 2.187 1.00 0.00 H new ATOM 0 HG22 ILE A 77 8.796 -15.756 0.445 1.00 0.00 H new ATOM 0 HG23 ILE A 77 9.829 -16.640 1.594 1.00 0.00 H new ATOM 0 HD11 ILE A 77 12.087 -13.280 4.153 1.00 0.00 H new ATOM 0 HD12 ILE A 77 12.468 -13.372 2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 77 11.111 -12.368 2.978 1.00 0.00 H new ATOM 1154 N GLY A 78 11.222 -15.572 -1.627 1.00 0.00 N ATOM 1155 CA GLY A 78 11.176 -16.750 -2.540 1.00 0.00 C ATOM 1156 C GLY A 78 9.728 -17.218 -2.692 1.00 0.00 C ATOM 1157 O GLY A 78 8.954 -16.646 -3.432 1.00 0.00 O ATOM 0 H GLY A 78 11.249 -14.663 -2.090 1.00 0.00 H new ATOM 0 HA2 GLY A 78 11.589 -16.486 -3.514 1.00 0.00 H new ATOM 0 HA3 GLY A 78 11.791 -17.557 -2.142 1.00 0.00 H new ATOM 1161 N ARG A 79 9.354 -18.257 -1.995 1.00 0.00 N ATOM 1162 CA ARG A 79 7.955 -18.759 -2.101 1.00 0.00 C ATOM 1163 C ARG A 79 7.101 -18.123 -1.002 1.00 0.00 C ATOM 1164 O ARG A 79 7.573 -18.051 0.121 1.00 0.00 O ATOM 1165 CB ARG A 79 7.943 -20.281 -1.939 1.00 0.00 C ATOM 1166 CG ARG A 79 6.534 -20.812 -2.212 1.00 0.00 C ATOM 1167 CD ARG A 79 6.116 -21.756 -1.082 1.00 0.00 C ATOM 1168 NE ARG A 79 4.796 -21.330 -0.538 1.00 0.00 N ATOM 1169 CZ ARG A 79 3.700 -21.585 -1.201 1.00 0.00 C ATOM 1170 NH1 ARG A 79 3.755 -22.209 -2.347 1.00 0.00 N ATOM 1171 NH2 ARG A 79 2.546 -21.213 -0.719 1.00 0.00 N ATOM 1172 OXT ARG A 79 5.990 -17.718 -1.303 1.00 0.00 O ATOM 0 H ARG A 79 9.956 -18.779 -1.358 1.00 0.00 H new ATOM 0 HA ARG A 79 7.548 -18.495 -3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 79 8.655 -20.736 -2.628 1.00 0.00 H new ATOM 0 HB3 ARG A 79 8.257 -20.553 -0.931 1.00 0.00 H new ATOM 0 HG2 ARG A 79 5.830 -19.983 -2.287 1.00 0.00 H new ATOM 0 HG3 ARG A 79 6.511 -21.338 -3.167 1.00 0.00 H new ATOM 0 HD2 ARG A 79 6.055 -22.779 -1.453 1.00 0.00 H new ATOM 0 HD3 ARG A 79 6.866 -21.748 -0.291 1.00 0.00 H new ATOM 0 HE ARG A 79 4.748 -20.838 0.354 1.00 0.00 H new ATOM 0 HH11 ARG A 79 4.656 -22.499 -2.727 1.00 0.00 H new ATOM 0 HH12 ARG A 79 2.897 -22.406 -2.862 1.00 0.00 H new ATOM 0 HH21 ARG A 79 2.500 -20.724 0.175 1.00 0.00 H new ATOM 0 HH22 ARG A 79 1.689 -21.412 -1.236 1.00 0.00 H new TER 1186 ARG A 79