USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 392 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 16 TYR OH : rot 119:sc= 0.517 USER MOD Set 1.2: A 23 GLN : amide:sc= 0.198 X(o=0.71,f=0.28) USER MOD Set 2.1: A 13 THR OG1 : rot -9:sc= 0.27 USER MOD Set 2.2: A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.0079 X(o=-0.0079,f=-0.42) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN :FLIP amide:sc= -3.04! C(o=-5.6!,f=-3!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 ASN : amide:sc= -1.57! C(o=-1.6!,f=-6.2!) USER MOD Single : A 39 THR OG1 : rot 70:sc= 0.952 USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-1.6) USER MOD Single : A 48 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.23) USER MOD Single : A 55 GLN : amide:sc=-0.00643 K(o=-0.0064,f=-0.58) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HE2:sc= -2.89 K(o=-2.9,f=-8.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 1.685 6.470 3.905 1.00 0.00 N ATOM 67 CA GLU A 8 2.384 5.841 2.797 1.00 0.00 C ATOM 68 C GLU A 8 1.382 5.279 1.787 1.00 0.00 C ATOM 69 O GLU A 8 0.414 4.623 2.168 1.00 0.00 O ATOM 70 CB GLU A 8 3.331 4.749 3.297 1.00 0.00 C ATOM 71 CG GLU A 8 4.576 5.356 3.948 1.00 0.00 C ATOM 72 CD GLU A 8 4.241 5.960 5.313 1.00 0.00 C ATOM 73 OE1 GLU A 8 3.484 5.299 6.056 1.00 0.00 O ATOM 74 OE2 GLU A 8 4.749 7.070 5.583 1.00 0.00 O ATOM 0 HA GLU A 8 2.987 6.598 2.296 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.813 4.115 4.017 1.00 0.00 H new ATOM 0 HB3 GLU A 8 3.627 4.110 2.465 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.341 4.588 4.064 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.992 6.126 3.298 1.00 0.00 H new ATOM 81 N ILE A 9 1.649 5.556 0.520 1.00 0.00 N ATOM 82 CA ILE A 9 0.783 5.086 -0.548 1.00 0.00 C ATOM 83 C ILE A 9 1.468 3.933 -1.284 1.00 0.00 C ATOM 84 O ILE A 9 2.687 3.931 -1.446 1.00 0.00 O ATOM 85 CB ILE A 9 0.381 6.246 -1.461 1.00 0.00 C ATOM 86 CG1 ILE A 9 -0.600 7.184 -0.756 1.00 0.00 C ATOM 87 CG2 ILE A 9 -0.175 5.730 -2.790 1.00 0.00 C ATOM 88 CD1 ILE A 9 -1.956 6.505 -0.548 1.00 0.00 C ATOM 0 H ILE A 9 2.453 6.100 0.208 1.00 0.00 H new ATOM 0 HA ILE A 9 -0.149 4.695 -0.139 1.00 0.00 H new ATOM 0 HB ILE A 9 1.275 6.827 -1.689 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -0.190 7.488 0.207 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -0.730 8.091 -1.347 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -0.453 6.575 -3.420 1.00 0.00 H new ATOM 0 HG22 ILE A 9 0.585 5.135 -3.296 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -1.054 5.113 -2.602 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -2.634 7.194 -0.045 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.375 6.225 -1.515 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -1.826 5.612 0.064 1.00 0.00 H new ATOM 100 N ALA A 10 0.653 2.979 -1.710 1.00 0.00 N ATOM 101 CA ALA A 10 1.165 1.822 -2.425 1.00 0.00 C ATOM 102 C ALA A 10 0.328 1.595 -3.686 1.00 0.00 C ATOM 103 O ALA A 10 -0.899 1.663 -3.641 1.00 0.00 O ATOM 104 CB ALA A 10 1.162 0.606 -1.497 1.00 0.00 C ATOM 0 H ALA A 10 -0.358 2.984 -1.574 1.00 0.00 H new ATOM 0 HA ALA A 10 2.195 1.990 -2.739 1.00 0.00 H new ATOM 0 HB1 ALA A 10 1.546 -0.262 -2.033 1.00 0.00 H new ATOM 0 HB2 ALA A 10 1.794 0.807 -0.632 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.144 0.405 -1.164 1.00 0.00 H new ATOM 110 N GLN A 11 1.025 1.331 -4.781 1.00 0.00 N ATOM 111 CA GLN A 11 0.362 1.094 -6.052 1.00 0.00 C ATOM 112 C GLN A 11 0.285 -0.407 -6.339 1.00 0.00 C ATOM 113 O GLN A 11 1.309 -1.086 -6.389 1.00 0.00 O ATOM 114 CB GLN A 11 1.071 1.834 -7.187 1.00 0.00 C ATOM 115 CG GLN A 11 0.698 1.240 -8.547 1.00 0.00 C ATOM 116 CD GLN A 11 1.088 2.185 -9.685 1.00 0.00 C ATOM 117 OE1 GLN A 11 2.245 2.517 -9.881 1.00 0.00 O ATOM 118 NE2 GLN A 11 0.060 2.599 -10.420 1.00 0.00 N ATOM 0 H GLN A 11 2.043 1.276 -4.814 1.00 0.00 H new ATOM 0 HA GLN A 11 -0.654 1.484 -5.988 1.00 0.00 H new ATOM 0 HB2 GLN A 11 0.802 2.890 -7.161 1.00 0.00 H new ATOM 0 HB3 GLN A 11 2.150 1.777 -7.045 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.199 0.281 -8.678 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.374 1.047 -8.582 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -0.884 2.282 -10.201 1.00 0.00 H new ATOM 0 HE22 GLN A 11 0.216 3.234 -11.203 1.00 0.00 H new ATOM 127 N VAL A 12 -0.939 -0.880 -6.520 1.00 0.00 N ATOM 128 CA VAL A 12 -1.163 -2.288 -6.801 1.00 0.00 C ATOM 129 C VAL A 12 -0.479 -2.656 -8.119 1.00 0.00 C ATOM 130 O VAL A 12 -0.618 -1.946 -9.114 1.00 0.00 O ATOM 131 CB VAL A 12 -2.663 -2.590 -6.801 1.00 0.00 C ATOM 132 CG1 VAL A 12 -2.930 -4.041 -7.208 1.00 0.00 C ATOM 133 CG2 VAL A 12 -3.285 -2.279 -5.439 1.00 0.00 C ATOM 0 H VAL A 12 -1.786 -0.313 -6.478 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.721 -2.908 -6.021 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.135 -1.943 -7.540 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -4.004 -4.229 -7.200 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.538 -4.216 -8.210 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.438 -4.713 -6.504 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -4.351 -2.502 -5.466 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -2.806 -2.888 -4.673 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -3.141 -1.224 -5.206 1.00 0.00 H new ATOM 143 N THR A 13 0.246 -3.764 -8.084 1.00 0.00 N ATOM 144 CA THR A 13 0.952 -4.235 -9.264 1.00 0.00 C ATOM 145 C THR A 13 0.389 -5.581 -9.721 1.00 0.00 C ATOM 146 O THR A 13 0.460 -5.920 -10.901 1.00 0.00 O ATOM 147 CB THR A 13 2.446 -4.281 -8.934 1.00 0.00 C ATOM 148 OG1 THR A 13 2.527 -5.160 -7.815 1.00 0.00 O ATOM 149 CG2 THR A 13 2.969 -2.947 -8.398 1.00 0.00 C ATOM 0 H THR A 13 0.360 -4.350 -7.257 1.00 0.00 H new ATOM 0 HA THR A 13 0.811 -3.557 -10.106 1.00 0.00 H new ATOM 0 HB THR A 13 3.006 -4.558 -9.827 1.00 0.00 H new ATOM 0 HG1 THR A 13 1.625 -5.357 -7.488 1.00 0.00 H new ATOM 0 HG21 THR A 13 4.033 -3.035 -8.180 1.00 0.00 H new ATOM 0 HG22 THR A 13 2.815 -2.169 -9.145 1.00 0.00 H new ATOM 0 HG23 THR A 13 2.432 -2.686 -7.486 1.00 0.00 H new ATOM 157 N SER A 14 -0.158 -6.314 -8.762 1.00 0.00 N ATOM 158 CA SER A 14 -0.734 -7.616 -9.051 1.00 0.00 C ATOM 159 C SER A 14 -2.108 -7.740 -8.390 1.00 0.00 C ATOM 160 O SER A 14 -2.260 -7.444 -7.206 1.00 0.00 O ATOM 161 CB SER A 14 0.187 -8.743 -8.577 1.00 0.00 C ATOM 162 OG SER A 14 1.557 -8.352 -8.584 1.00 0.00 O ATOM 0 H SER A 14 -0.214 -6.031 -7.784 1.00 0.00 H new ATOM 0 HA SER A 14 -0.849 -7.707 -10.131 1.00 0.00 H new ATOM 0 HB2 SER A 14 -0.099 -9.045 -7.569 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.055 -9.613 -9.220 1.00 0.00 H new ATOM 0 HG SER A 14 2.112 -9.098 -8.274 1.00 0.00 H new ATOM 168 N ALA A 15 -3.074 -8.178 -9.184 1.00 0.00 N ATOM 169 CA ALA A 15 -4.430 -8.344 -8.691 1.00 0.00 C ATOM 170 C ALA A 15 -4.452 -9.450 -7.633 1.00 0.00 C ATOM 171 O ALA A 15 -3.736 -10.443 -7.753 1.00 0.00 O ATOM 172 CB ALA A 15 -5.367 -8.641 -9.863 1.00 0.00 C ATOM 0 H ALA A 15 -2.944 -8.423 -10.166 1.00 0.00 H new ATOM 0 HA ALA A 15 -4.781 -7.427 -8.217 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.385 -8.766 -9.493 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -5.337 -7.813 -10.571 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.048 -9.556 -10.361 1.00 0.00 H new ATOM 178 N TYR A 16 -5.281 -9.240 -6.621 1.00 0.00 N ATOM 179 CA TYR A 16 -5.405 -10.206 -5.543 1.00 0.00 C ATOM 180 C TYR A 16 -6.874 -10.539 -5.271 1.00 0.00 C ATOM 181 O TYR A 16 -7.757 -9.725 -5.536 1.00 0.00 O ATOM 182 CB TYR A 16 -4.809 -9.535 -4.304 1.00 0.00 C ATOM 183 CG TYR A 16 -5.021 -10.320 -3.008 1.00 0.00 C ATOM 184 CD1 TYR A 16 -4.741 -11.671 -2.966 1.00 0.00 C ATOM 185 CD2 TYR A 16 -5.493 -9.677 -1.882 1.00 0.00 C ATOM 186 CE1 TYR A 16 -4.941 -12.409 -1.746 1.00 0.00 C ATOM 187 CE2 TYR A 16 -5.693 -10.416 -0.662 1.00 0.00 C ATOM 188 CZ TYR A 16 -5.407 -11.746 -0.654 1.00 0.00 C ATOM 189 OH TYR A 16 -5.596 -12.443 0.498 1.00 0.00 O ATOM 0 H TYR A 16 -5.873 -8.415 -6.525 1.00 0.00 H new ATOM 0 HA TYR A 16 -4.897 -11.135 -5.801 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -3.740 -9.393 -4.460 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -5.250 -8.544 -4.193 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -4.372 -12.174 -3.848 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -5.712 -8.620 -1.915 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -4.726 -13.466 -1.699 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -6.062 -9.925 0.227 1.00 0.00 H new ATOM 0 HH TYR A 16 -5.027 -12.070 1.203 1.00 0.00 H new ATOM 269 N GLN A 23 -9.069 -9.607 5.378 1.00 0.00 N ATOM 270 CA GLN A 23 -8.199 -9.347 4.244 1.00 0.00 C ATOM 271 C GLN A 23 -8.838 -8.317 3.310 1.00 0.00 C ATOM 272 O GLN A 23 -10.050 -8.114 3.340 1.00 0.00 O ATOM 273 CB GLN A 23 -7.875 -10.641 3.493 1.00 0.00 C ATOM 274 CG GLN A 23 -7.082 -11.604 4.379 1.00 0.00 C ATOM 275 CD GLN A 23 -7.480 -13.055 4.104 1.00 0.00 C ATOM 276 OE1 GLN A 23 -7.917 -13.783 4.980 1.00 0.00 O ATOM 277 NE2 GLN A 23 -7.304 -13.434 2.841 1.00 0.00 N ATOM 0 HA GLN A 23 -7.260 -8.937 4.618 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -8.799 -11.118 3.167 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -7.301 -10.411 2.595 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -6.015 -11.475 4.198 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -7.258 -11.367 5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.934 -12.774 2.157 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.539 -14.385 2.556 1.00 0.00 H new ATOM 286 N LEU A 24 -7.993 -7.694 2.502 1.00 0.00 N ATOM 287 CA LEU A 24 -8.459 -6.690 1.561 1.00 0.00 C ATOM 288 C LEU A 24 -7.984 -7.056 0.153 1.00 0.00 C ATOM 289 O LEU A 24 -6.803 -7.331 -0.055 1.00 0.00 O ATOM 290 CB LEU A 24 -8.029 -5.292 2.011 1.00 0.00 C ATOM 291 CG LEU A 24 -8.199 -4.174 0.981 1.00 0.00 C ATOM 292 CD1 LEU A 24 -9.645 -4.100 0.486 1.00 0.00 C ATOM 293 CD2 LEU A 24 -7.715 -2.835 1.541 1.00 0.00 C ATOM 0 H LEU A 24 -6.988 -7.865 2.480 1.00 0.00 H new ATOM 0 HA LEU A 24 -9.549 -6.670 1.535 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -8.598 -5.028 2.902 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -6.980 -5.333 2.304 1.00 0.00 H new ATOM 0 HG LEU A 24 -7.575 -4.406 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -9.739 -3.297 -0.245 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -9.920 -5.047 0.022 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.308 -3.903 1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -7.847 -2.057 0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -8.293 -2.582 2.430 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -6.660 -2.911 1.804 1.00 0.00 H new ATOM 305 N SER A 25 -8.927 -7.047 -0.777 1.00 0.00 N ATOM 306 CA SER A 25 -8.620 -7.375 -2.158 1.00 0.00 C ATOM 307 C SER A 25 -7.778 -6.262 -2.785 1.00 0.00 C ATOM 308 O SER A 25 -7.854 -5.109 -2.363 1.00 0.00 O ATOM 309 CB SER A 25 -9.898 -7.595 -2.970 1.00 0.00 C ATOM 310 OG SER A 25 -10.830 -8.426 -2.283 1.00 0.00 O ATOM 0 H SER A 25 -9.905 -6.817 -0.601 1.00 0.00 H new ATOM 0 HA SER A 25 -8.050 -8.304 -2.170 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.361 -6.632 -3.186 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.645 -8.049 -3.928 1.00 0.00 H new ATOM 0 HG SER A 25 -11.633 -8.541 -2.833 1.00 0.00 H new ATOM 316 N LEU A 26 -6.995 -6.646 -3.783 1.00 0.00 N ATOM 317 CA LEU A 26 -6.140 -5.695 -4.472 1.00 0.00 C ATOM 318 C LEU A 26 -6.387 -5.792 -5.979 1.00 0.00 C ATOM 319 O LEU A 26 -6.566 -6.886 -6.513 1.00 0.00 O ATOM 320 CB LEU A 26 -4.677 -5.903 -4.074 1.00 0.00 C ATOM 321 CG LEU A 26 -4.398 -6.001 -2.573 1.00 0.00 C ATOM 322 CD1 LEU A 26 -2.984 -6.523 -2.311 1.00 0.00 C ATOM 323 CD2 LEU A 26 -4.652 -4.661 -1.879 1.00 0.00 C ATOM 0 H LEU A 26 -6.935 -7.603 -4.131 1.00 0.00 H new ATOM 0 HA LEU A 26 -6.386 -4.676 -4.173 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -4.318 -6.815 -4.551 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.090 -5.079 -4.480 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.093 -6.723 -2.143 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.812 -6.583 -1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -2.874 -7.514 -2.752 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.257 -5.845 -2.758 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.446 -4.759 -0.813 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -3.999 -3.900 -2.307 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -5.692 -4.368 -2.022 1.00 0.00 H new ATOM 335 N ALA A 27 -6.390 -4.633 -6.622 1.00 0.00 N ATOM 336 CA ALA A 27 -6.612 -4.574 -8.056 1.00 0.00 C ATOM 337 C ALA A 27 -5.485 -3.773 -8.710 1.00 0.00 C ATOM 338 O ALA A 27 -5.014 -2.785 -8.148 1.00 0.00 O ATOM 339 CB ALA A 27 -7.991 -3.974 -8.335 1.00 0.00 C ATOM 0 H ALA A 27 -6.242 -3.728 -6.176 1.00 0.00 H new ATOM 0 HA ALA A 27 -6.598 -5.575 -8.488 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -8.158 -3.930 -9.411 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -8.758 -4.596 -7.874 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -8.041 -2.968 -7.918 1.00 0.00 H new ATOM 345 N PRO A 28 -5.073 -4.240 -9.919 1.00 0.00 N ATOM 346 CA PRO A 28 -4.010 -3.578 -10.656 1.00 0.00 C ATOM 347 C PRO A 28 -4.509 -2.278 -11.289 1.00 0.00 C ATOM 348 O PRO A 28 -5.329 -2.305 -12.206 1.00 0.00 O ATOM 349 CB PRO A 28 -3.547 -4.599 -11.682 1.00 0.00 C ATOM 350 CG PRO A 28 -4.670 -5.618 -11.793 1.00 0.00 C ATOM 351 CD PRO A 28 -5.608 -5.407 -10.615 1.00 0.00 C ATOM 0 HA PRO A 28 -3.182 -3.273 -10.016 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -3.353 -4.125 -12.644 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -2.618 -5.075 -11.368 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -5.206 -5.495 -12.734 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -4.268 -6.631 -11.785 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -6.631 -5.234 -10.949 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -5.629 -6.281 -9.964 1.00 0.00 H new ATOM 359 N GLY A 29 -3.994 -1.171 -10.775 1.00 0.00 N ATOM 360 CA GLY A 29 -4.377 0.137 -11.280 1.00 0.00 C ATOM 361 C GLY A 29 -5.206 0.902 -10.246 1.00 0.00 C ATOM 362 O GLY A 29 -5.980 1.790 -10.599 1.00 0.00 O ATOM 0 H GLY A 29 -3.315 -1.153 -10.014 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.484 0.710 -11.531 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.951 0.022 -12.199 1.00 0.00 H new ATOM 366 N GLN A 30 -5.015 0.529 -8.989 1.00 0.00 N ATOM 367 CA GLN A 30 -5.735 1.169 -7.901 1.00 0.00 C ATOM 368 C GLN A 30 -4.752 1.758 -6.887 1.00 0.00 C ATOM 369 O GLN A 30 -3.543 1.572 -7.010 1.00 0.00 O ATOM 370 CB GLN A 30 -6.696 0.187 -7.227 1.00 0.00 C ATOM 371 CG GLN A 30 -7.906 -0.095 -8.120 1.00 0.00 C ATOM 372 CD GLN A 30 -9.134 -0.454 -7.280 1.00 0.00 C ATOM 373 OE1 GLN A 30 -9.009 -1.587 -6.595 1.00 0.00 O flip ATOM 374 NE2 GLN A 30 -10.130 0.250 -7.257 1.00 0.00 N flip ATOM 0 H GLN A 30 -4.372 -0.208 -8.700 1.00 0.00 H new ATOM 0 HA GLN A 30 -6.330 1.983 -8.315 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -6.175 -0.745 -7.009 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -7.030 0.596 -6.274 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -8.123 0.780 -8.732 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -7.676 -0.913 -8.803 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -10.161 1.108 -7.807 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -10.932 -0.020 -6.688 1.00 0.00 H new ATOM 383 N LEU A 31 -5.309 2.455 -5.908 1.00 0.00 N ATOM 384 CA LEU A 31 -4.496 3.072 -4.873 1.00 0.00 C ATOM 385 C LEU A 31 -5.020 2.650 -3.499 1.00 0.00 C ATOM 386 O LEU A 31 -6.223 2.460 -3.321 1.00 0.00 O ATOM 387 CB LEU A 31 -4.439 4.588 -5.070 1.00 0.00 C ATOM 388 CG LEU A 31 -3.643 5.078 -6.281 1.00 0.00 C ATOM 389 CD1 LEU A 31 -3.694 6.603 -6.391 1.00 0.00 C ATOM 390 CD2 LEU A 31 -2.206 4.554 -6.241 1.00 0.00 C ATOM 0 H LEU A 31 -6.313 2.606 -5.809 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.465 2.725 -4.941 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.459 4.962 -5.156 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.010 5.035 -4.173 1.00 0.00 H new ATOM 0 HG LEU A 31 -4.108 4.675 -7.181 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.120 6.924 -7.260 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.729 6.925 -6.500 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -3.269 7.047 -5.491 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -1.662 4.917 -7.113 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -1.715 4.907 -5.334 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -2.216 3.464 -6.247 1.00 0.00 H new ATOM 402 N ILE A 32 -4.093 2.515 -2.563 1.00 0.00 N ATOM 403 CA ILE A 32 -4.446 2.118 -1.211 1.00 0.00 C ATOM 404 C ILE A 32 -3.636 2.948 -0.212 1.00 0.00 C ATOM 405 O ILE A 32 -2.532 3.393 -0.521 1.00 0.00 O ATOM 406 CB ILE A 32 -4.278 0.608 -1.034 1.00 0.00 C ATOM 407 CG1 ILE A 32 -5.470 -0.149 -1.623 1.00 0.00 C ATOM 408 CG2 ILE A 32 -4.042 0.251 0.435 1.00 0.00 C ATOM 409 CD1 ILE A 32 -5.025 -1.475 -2.243 1.00 0.00 C ATOM 0 H ILE A 32 -3.097 2.674 -2.714 1.00 0.00 H new ATOM 0 HA ILE A 32 -5.499 2.323 -1.017 1.00 0.00 H new ATOM 0 HB ILE A 32 -3.393 0.296 -1.588 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -6.207 -0.338 -0.843 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -5.957 0.465 -2.380 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -3.926 -0.828 0.533 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -3.138 0.747 0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -4.894 0.580 1.031 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -5.891 -1.993 -2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -4.306 -1.281 -3.039 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.560 -2.097 -1.478 1.00 0.00 H new ATOM 421 N LEU A 33 -4.217 3.132 0.964 1.00 0.00 N ATOM 422 CA LEU A 33 -3.563 3.900 2.010 1.00 0.00 C ATOM 423 C LEU A 33 -3.074 2.951 3.105 1.00 0.00 C ATOM 424 O LEU A 33 -3.875 2.275 3.749 1.00 0.00 O ATOM 425 CB LEU A 33 -4.490 5.005 2.522 1.00 0.00 C ATOM 426 CG LEU A 33 -3.802 6.231 3.125 1.00 0.00 C ATOM 427 CD1 LEU A 33 -4.817 7.147 3.812 1.00 0.00 C ATOM 428 CD2 LEU A 33 -2.672 5.818 4.069 1.00 0.00 C ATOM 0 H LEU A 33 -5.134 2.762 1.216 1.00 0.00 H new ATOM 0 HA LEU A 33 -2.684 4.410 1.615 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -5.119 5.336 1.696 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.152 4.577 3.275 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.350 6.802 2.314 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.302 8.011 4.232 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.555 7.484 3.084 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.319 6.600 4.610 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.200 6.709 4.483 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -3.078 5.212 4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -1.931 5.238 3.518 1.00 0.00 H new ATOM 440 N ILE A 34 -1.761 2.928 3.282 1.00 0.00 N ATOM 441 CA ILE A 34 -1.156 2.072 4.288 1.00 0.00 C ATOM 442 C ILE A 34 -1.467 2.629 5.679 1.00 0.00 C ATOM 443 O ILE A 34 -0.972 3.691 6.051 1.00 0.00 O ATOM 444 CB ILE A 34 0.340 1.900 4.015 1.00 0.00 C ATOM 445 CG1 ILE A 34 0.582 1.377 2.598 1.00 0.00 C ATOM 446 CG2 ILE A 34 0.991 1.008 5.074 1.00 0.00 C ATOM 447 CD1 ILE A 34 -0.006 -0.024 2.422 1.00 0.00 C ATOM 0 H ILE A 34 -1.099 3.489 2.745 1.00 0.00 H new ATOM 0 HA ILE A 34 -1.583 1.070 4.243 1.00 0.00 H new ATOM 0 HB ILE A 34 0.815 2.879 4.082 1.00 0.00 H new ATOM 0 HG12 ILE A 34 0.133 2.057 1.874 1.00 0.00 H new ATOM 0 HG13 ILE A 34 1.652 1.354 2.393 1.00 0.00 H new ATOM 0 HG21 ILE A 34 2.054 0.902 4.857 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.865 1.460 6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 34 0.519 0.026 5.063 1.00 0.00 H new ATOM 0 HD11 ILE A 34 0.180 -0.372 1.406 1.00 0.00 H new ATOM 0 HD12 ILE A 34 0.462 -0.707 3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -1.080 0.007 2.604 1.00 0.00 H new ATOM 459 N LEU A 35 -2.286 1.885 6.409 1.00 0.00 N ATOM 460 CA LEU A 35 -2.669 2.291 7.750 1.00 0.00 C ATOM 461 C LEU A 35 -1.818 1.532 8.770 1.00 0.00 C ATOM 462 O LEU A 35 -1.266 2.132 9.692 1.00 0.00 O ATOM 463 CB LEU A 35 -4.175 2.115 7.954 1.00 0.00 C ATOM 464 CG LEU A 35 -5.066 2.577 6.799 1.00 0.00 C ATOM 465 CD1 LEU A 35 -6.340 1.733 6.718 1.00 0.00 C ATOM 466 CD2 LEU A 35 -5.375 4.072 6.909 1.00 0.00 C ATOM 0 H LEU A 35 -2.694 1.004 6.097 1.00 0.00 H new ATOM 0 HA LEU A 35 -2.473 3.353 7.897 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.375 1.060 8.142 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -4.466 2.660 8.852 1.00 0.00 H new ATOM 0 HG LEU A 35 -4.521 2.428 5.867 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -6.956 2.082 5.889 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -6.075 0.688 6.558 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -6.899 1.827 7.649 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -6.010 4.375 6.076 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -5.891 4.269 7.849 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -4.444 4.639 6.881 1.00 0.00 H new ATOM 478 N LYS A 36 -1.738 0.225 8.571 1.00 0.00 N ATOM 479 CA LYS A 36 -0.964 -0.622 9.462 1.00 0.00 C ATOM 480 C LYS A 36 -0.125 -1.596 8.632 1.00 0.00 C ATOM 481 O LYS A 36 -0.428 -1.844 7.466 1.00 0.00 O ATOM 482 CB LYS A 36 -1.878 -1.309 10.478 1.00 0.00 C ATOM 483 CG LYS A 36 -1.291 -1.227 11.889 1.00 0.00 C ATOM 484 CD LYS A 36 -0.374 -2.419 12.170 1.00 0.00 C ATOM 485 CE LYS A 36 -0.982 -3.341 13.229 1.00 0.00 C ATOM 486 NZ LYS A 36 -0.518 -2.956 14.580 1.00 0.00 N ATOM 0 H LYS A 36 -2.197 -0.269 7.805 1.00 0.00 H new ATOM 0 HA LYS A 36 -0.269 -0.022 10.049 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -2.862 -0.840 10.462 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.018 -2.353 10.199 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -0.731 -0.298 12.001 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.098 -1.203 12.622 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -0.206 -2.978 11.249 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.599 -2.062 12.509 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.070 -3.289 13.183 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.703 -4.374 13.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.940 -3.592 15.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.519 -3.028 14.625 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.806 -1.977 14.780 1.00 0.00 H new ATOM 500 N LYS A 37 0.912 -2.123 9.266 1.00 0.00 N ATOM 501 CA LYS A 37 1.796 -3.065 8.601 1.00 0.00 C ATOM 502 C LYS A 37 1.975 -4.301 9.484 1.00 0.00 C ATOM 503 O LYS A 37 1.575 -4.300 10.647 1.00 0.00 O ATOM 504 CB LYS A 37 3.113 -2.386 8.219 1.00 0.00 C ATOM 505 CG LYS A 37 2.883 -1.292 7.174 1.00 0.00 C ATOM 506 CD LYS A 37 4.198 -0.890 6.503 1.00 0.00 C ATOM 507 CE LYS A 37 4.177 0.585 6.096 1.00 0.00 C ATOM 508 NZ LYS A 37 5.528 1.176 6.219 1.00 0.00 N ATOM 0 H LYS A 37 1.160 -1.915 10.233 1.00 0.00 H new ATOM 0 HA LYS A 37 1.355 -3.404 7.664 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.575 -1.954 9.107 1.00 0.00 H new ATOM 0 HB3 LYS A 37 3.809 -3.128 7.827 1.00 0.00 H new ATOM 0 HG2 LYS A 37 2.179 -1.646 6.421 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.431 -0.421 7.648 1.00 0.00 H new ATOM 0 HD2 LYS A 37 5.029 -1.071 7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 37 4.367 -1.511 5.623 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.824 0.680 5.069 1.00 0.00 H new ATOM 0 HE3 LYS A 37 3.476 1.132 6.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.496 2.177 5.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 5.851 1.102 7.205 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 6.188 0.664 5.600 1.00 0.00 H new ATOM 522 N ASN A 38 2.577 -5.326 8.898 1.00 0.00 N ATOM 523 CA ASN A 38 2.814 -6.566 9.617 1.00 0.00 C ATOM 524 C ASN A 38 4.213 -7.086 9.280 1.00 0.00 C ATOM 525 O ASN A 38 4.811 -6.673 8.288 1.00 0.00 O ATOM 526 CB ASN A 38 1.801 -7.639 9.214 1.00 0.00 C ATOM 527 CG ASN A 38 2.084 -8.959 9.934 1.00 0.00 C ATOM 528 OD1 ASN A 38 2.607 -8.995 11.036 1.00 0.00 O ATOM 529 ND2 ASN A 38 1.710 -10.038 9.252 1.00 0.00 N ATOM 0 H ASN A 38 2.908 -5.323 7.933 1.00 0.00 H new ATOM 0 HA ASN A 38 2.717 -6.361 10.683 1.00 0.00 H new ATOM 0 HB2 ASN A 38 0.793 -7.300 9.452 1.00 0.00 H new ATOM 0 HB3 ASN A 38 1.839 -7.793 8.136 1.00 0.00 H new ATOM 0 HD21 ASN A 38 1.856 -10.967 9.647 1.00 0.00 H new ATOM 0 HD22 ASN A 38 1.277 -9.936 8.334 1.00 0.00 H new ATOM 536 N THR A 39 4.694 -7.986 10.126 1.00 0.00 N ATOM 537 CA THR A 39 6.011 -8.567 9.930 1.00 0.00 C ATOM 538 C THR A 39 5.911 -9.849 9.100 1.00 0.00 C ATOM 539 O THR A 39 6.416 -10.895 9.504 1.00 0.00 O ATOM 540 CB THR A 39 6.642 -8.783 11.307 1.00 0.00 C ATOM 541 OG1 THR A 39 5.980 -9.938 11.815 1.00 0.00 O ATOM 542 CG2 THR A 39 6.275 -7.677 12.299 1.00 0.00 C ATOM 0 H THR A 39 4.195 -8.327 10.948 1.00 0.00 H new ATOM 0 HA THR A 39 6.657 -7.898 9.361 1.00 0.00 H new ATOM 0 HB THR A 39 7.726 -8.835 11.205 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.263 -10.727 11.307 1.00 0.00 H new ATOM 0 HG21 THR A 39 6.748 -7.878 13.260 1.00 0.00 H new ATOM 0 HG22 THR A 39 6.622 -6.717 11.918 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.193 -7.647 12.427 1.00 0.00 H new ATOM 550 N SER A 40 5.255 -9.725 7.956 1.00 0.00 N ATOM 551 CA SER A 40 5.082 -10.860 7.066 1.00 0.00 C ATOM 552 C SER A 40 4.832 -10.372 5.637 1.00 0.00 C ATOM 553 O SER A 40 5.374 -10.928 4.684 1.00 0.00 O ATOM 554 CB SER A 40 3.930 -11.754 7.530 1.00 0.00 C ATOM 555 OG SER A 40 4.361 -13.085 7.796 1.00 0.00 O ATOM 0 H SER A 40 4.837 -8.856 7.625 1.00 0.00 H new ATOM 0 HA SER A 40 5.997 -11.452 7.086 1.00 0.00 H new ATOM 0 HB2 SER A 40 3.483 -11.331 8.430 1.00 0.00 H new ATOM 0 HB3 SER A 40 3.153 -11.770 6.765 1.00 0.00 H new ATOM 0 HG SER A 40 3.597 -13.623 8.091 1.00 0.00 H new ATOM 561 N GLY A 41 4.011 -9.337 5.535 1.00 0.00 N ATOM 562 CA GLY A 41 3.683 -8.768 4.239 1.00 0.00 C ATOM 563 C GLY A 41 2.236 -8.270 4.209 1.00 0.00 C ATOM 564 O GLY A 41 1.865 -7.481 3.341 1.00 0.00 O ATOM 0 H GLY A 41 3.563 -8.878 6.328 1.00 0.00 H new ATOM 0 HA2 GLY A 41 4.360 -7.943 4.018 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.830 -9.517 3.461 1.00 0.00 H new ATOM 568 N TRP A 42 1.458 -8.751 5.168 1.00 0.00 N ATOM 569 CA TRP A 42 0.061 -8.365 5.263 1.00 0.00 C ATOM 570 C TRP A 42 0.002 -6.926 5.780 1.00 0.00 C ATOM 571 O TRP A 42 0.314 -6.667 6.942 1.00 0.00 O ATOM 572 CB TRP A 42 -0.722 -9.347 6.136 1.00 0.00 C ATOM 573 CG TRP A 42 -0.870 -10.742 5.526 1.00 0.00 C ATOM 574 CD1 TRP A 42 -0.101 -11.819 5.734 1.00 0.00 C ATOM 575 CD2 TRP A 42 -1.885 -11.168 4.593 1.00 0.00 C ATOM 576 NE1 TRP A 42 -0.544 -12.905 5.006 1.00 0.00 N ATOM 577 CE2 TRP A 42 -1.663 -12.496 4.290 1.00 0.00 C ATOM 578 CE3 TRP A 42 -2.954 -10.456 4.023 1.00 0.00 C ATOM 579 CZ2 TRP A 42 -2.470 -13.227 3.409 1.00 0.00 C ATOM 580 CZ3 TRP A 42 -3.751 -11.200 3.145 1.00 0.00 C ATOM 581 CH2 TRP A 42 -3.542 -12.537 2.830 1.00 0.00 C ATOM 0 H TRP A 42 1.769 -9.405 5.886 1.00 0.00 H new ATOM 0 HA TRP A 42 -0.417 -8.403 4.284 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -0.224 -9.435 7.102 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -1.714 -8.937 6.325 1.00 0.00 H new ATOM 0 HD1 TRP A 42 0.758 -11.836 6.389 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -0.127 -13.836 4.995 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -3.146 -9.417 4.245 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.276 -14.266 3.188 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.587 -10.699 2.680 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -4.204 -13.042 2.142 1.00 0.00 H new ATOM 592 N TRP A 43 -0.399 -6.028 4.893 1.00 0.00 N ATOM 593 CA TRP A 43 -0.502 -4.622 5.246 1.00 0.00 C ATOM 594 C TRP A 43 -1.986 -4.281 5.399 1.00 0.00 C ATOM 595 O TRP A 43 -2.819 -4.757 4.629 1.00 0.00 O ATOM 596 CB TRP A 43 0.210 -3.744 4.215 1.00 0.00 C ATOM 597 CG TRP A 43 1.736 -3.790 4.306 1.00 0.00 C ATOM 598 CD1 TRP A 43 2.491 -4.483 5.170 1.00 0.00 C ATOM 599 CD2 TRP A 43 2.670 -3.083 3.463 1.00 0.00 C ATOM 600 NE1 TRP A 43 3.836 -4.275 4.946 1.00 0.00 N ATOM 601 CE2 TRP A 43 3.949 -3.396 3.875 1.00 0.00 C ATOM 602 CE3 TRP A 43 2.441 -2.207 2.387 1.00 0.00 C ATOM 603 CZ2 TRP A 43 5.099 -2.878 3.268 1.00 0.00 C ATOM 604 CZ3 TRP A 43 3.601 -1.697 1.791 1.00 0.00 C ATOM 605 CH2 TRP A 43 4.895 -2.003 2.194 1.00 0.00 C ATOM 0 H TRP A 43 -0.657 -6.246 3.930 1.00 0.00 H new ATOM 0 HA TRP A 43 0.000 -4.424 6.193 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -0.094 -4.056 3.216 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -0.120 -2.713 4.341 1.00 0.00 H new ATOM 0 HD1 TRP A 43 2.096 -5.124 5.944 1.00 0.00 H new ATOM 0 HE1 TRP A 43 4.606 -4.690 5.470 1.00 0.00 H new ATOM 0 HE3 TRP A 43 1.449 -1.948 2.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 6.090 -3.139 3.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 3.481 -1.018 0.960 1.00 0.00 H new ATOM 0 HH2 TRP A 43 5.740 -1.568 1.681 1.00 0.00 H new ATOM 616 N GLN A 44 -2.271 -3.459 6.398 1.00 0.00 N ATOM 617 CA GLN A 44 -3.640 -3.048 6.662 1.00 0.00 C ATOM 618 C GLN A 44 -3.858 -1.604 6.206 1.00 0.00 C ATOM 619 O GLN A 44 -3.584 -0.666 6.952 1.00 0.00 O ATOM 620 CB GLN A 44 -3.986 -3.214 8.143 1.00 0.00 C ATOM 621 CG GLN A 44 -5.493 -3.085 8.372 1.00 0.00 C ATOM 622 CD GLN A 44 -5.824 -3.092 9.865 1.00 0.00 C ATOM 623 OE1 GLN A 44 -4.985 -2.839 10.714 1.00 0.00 O ATOM 624 NE2 GLN A 44 -7.090 -3.395 10.138 1.00 0.00 N ATOM 0 H GLN A 44 -1.577 -3.066 7.035 1.00 0.00 H new ATOM 0 HA GLN A 44 -4.309 -3.693 6.092 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.643 -4.188 8.493 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.460 -2.461 8.730 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -5.855 -2.162 7.920 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -6.011 -3.907 7.877 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -7.741 -3.596 9.379 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -7.410 -3.426 11.106 1.00 0.00 H new ATOM 633 N GLY A 45 -4.350 -1.472 4.982 1.00 0.00 N ATOM 634 CA GLY A 45 -4.609 -0.158 4.418 1.00 0.00 C ATOM 635 C GLY A 45 -6.061 -0.037 3.953 1.00 0.00 C ATOM 636 O GLY A 45 -6.862 -0.947 4.164 1.00 0.00 O ATOM 0 H GLY A 45 -4.576 -2.253 4.366 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -4.397 0.609 5.162 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -3.938 0.019 3.577 1.00 0.00 H new ATOM 640 N GLU A 46 -6.357 1.093 3.329 1.00 0.00 N ATOM 641 CA GLU A 46 -7.699 1.345 2.833 1.00 0.00 C ATOM 642 C GLU A 46 -7.659 1.684 1.341 1.00 0.00 C ATOM 643 O GLU A 46 -6.884 2.540 0.916 1.00 0.00 O ATOM 644 CB GLU A 46 -8.379 2.460 3.630 1.00 0.00 C ATOM 645 CG GLU A 46 -9.902 2.331 3.566 1.00 0.00 C ATOM 646 CD GLU A 46 -10.582 3.472 4.324 1.00 0.00 C ATOM 647 OE1 GLU A 46 -10.189 4.633 4.075 1.00 0.00 O ATOM 648 OE2 GLU A 46 -11.479 3.159 5.136 1.00 0.00 O ATOM 0 H GLU A 46 -5.690 1.845 3.155 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.289 0.438 2.964 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -8.051 2.421 4.669 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.076 3.430 3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -10.227 2.336 2.526 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.208 1.375 3.991 1.00 0.00 H new ATOM 655 N LEU A 47 -8.503 0.995 0.587 1.00 0.00 N ATOM 656 CA LEU A 47 -8.574 1.213 -0.847 1.00 0.00 C ATOM 657 C LEU A 47 -8.989 2.660 -1.120 1.00 0.00 C ATOM 658 O LEU A 47 -10.110 3.057 -0.805 1.00 0.00 O ATOM 659 CB LEU A 47 -9.489 0.176 -1.502 1.00 0.00 C ATOM 660 CG LEU A 47 -8.975 -0.447 -2.801 1.00 0.00 C ATOM 661 CD1 LEU A 47 -9.677 -1.777 -3.086 1.00 0.00 C ATOM 662 CD2 LEU A 47 -9.107 0.532 -3.969 1.00 0.00 C ATOM 0 H LEU A 47 -9.143 0.285 0.943 1.00 0.00 H new ATOM 0 HA LEU A 47 -7.594 1.072 -1.302 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -9.669 -0.625 -0.785 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -10.452 0.646 -1.704 1.00 0.00 H new ATOM 0 HG LEU A 47 -7.913 -0.662 -2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -9.294 -2.199 -4.015 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -9.488 -2.471 -2.267 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -10.750 -1.609 -3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -8.734 0.064 -4.880 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -10.155 0.801 -4.102 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -8.526 1.430 -3.759 1.00 0.00 H new ATOM 674 N GLN A 48 -8.063 3.408 -1.702 1.00 0.00 N ATOM 675 CA GLN A 48 -8.319 4.802 -2.021 1.00 0.00 C ATOM 676 C GLN A 48 -8.897 4.927 -3.432 1.00 0.00 C ATOM 677 O GLN A 48 -8.640 5.909 -4.127 1.00 0.00 O ATOM 678 CB GLN A 48 -7.048 5.641 -1.872 1.00 0.00 C ATOM 679 CG GLN A 48 -6.537 5.611 -0.431 1.00 0.00 C ATOM 680 CD GLN A 48 -7.579 6.185 0.532 1.00 0.00 C ATOM 681 OE1 GLN A 48 -8.004 7.323 0.421 1.00 0.00 O ATOM 682 NE2 GLN A 48 -7.964 5.336 1.481 1.00 0.00 N ATOM 0 H GLN A 48 -7.134 3.075 -1.961 1.00 0.00 H new ATOM 0 HA GLN A 48 -9.054 5.187 -1.314 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -6.277 5.262 -2.543 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -7.251 6.670 -2.168 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -6.300 4.586 -0.147 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -5.613 6.185 -0.357 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -7.568 4.397 1.516 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -8.656 5.624 2.173 1.00 0.00 H new ATOM 800 N GLN A 55 -12.875 0.276 1.198 1.00 0.00 N ATOM 801 CA GLN A 55 -12.274 -1.030 1.405 1.00 0.00 C ATOM 802 C GLN A 55 -11.141 -0.938 2.430 1.00 0.00 C ATOM 803 O GLN A 55 -10.291 -0.052 2.342 1.00 0.00 O ATOM 804 CB GLN A 55 -11.772 -1.618 0.085 1.00 0.00 C ATOM 805 CG GLN A 55 -12.671 -2.766 -0.381 1.00 0.00 C ATOM 806 CD GLN A 55 -14.014 -2.238 -0.889 1.00 0.00 C ATOM 807 OE1 GLN A 55 -14.098 -1.223 -1.560 1.00 0.00 O ATOM 808 NE2 GLN A 55 -15.057 -2.982 -0.532 1.00 0.00 N ATOM 0 HA GLN A 55 -13.038 -1.701 1.797 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -11.746 -0.839 -0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -10.751 -1.978 0.208 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -12.173 -3.325 -1.173 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -12.837 -3.460 0.443 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -14.916 -3.821 0.031 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -15.998 -2.714 -0.821 1.00 0.00 H new ATOM 817 N LYS A 56 -11.166 -1.864 3.377 1.00 0.00 N ATOM 818 CA LYS A 56 -10.151 -1.897 4.417 1.00 0.00 C ATOM 819 C LYS A 56 -9.955 -3.341 4.885 1.00 0.00 C ATOM 820 O LYS A 56 -10.923 -4.031 5.203 1.00 0.00 O ATOM 821 CB LYS A 56 -10.508 -0.928 5.545 1.00 0.00 C ATOM 822 CG LYS A 56 -9.261 -0.516 6.329 1.00 0.00 C ATOM 823 CD LYS A 56 -9.080 -1.391 7.571 1.00 0.00 C ATOM 824 CE LYS A 56 -9.779 -0.773 8.784 1.00 0.00 C ATOM 825 NZ LYS A 56 -10.835 -1.679 9.290 1.00 0.00 N ATOM 0 H LYS A 56 -11.872 -2.597 3.446 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.193 -1.555 4.026 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -10.990 -0.043 5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -11.227 -1.396 6.218 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -8.382 -0.599 5.690 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -9.342 0.530 6.625 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -9.484 -2.385 7.382 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -8.018 -1.513 7.782 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.050 -0.578 9.571 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -10.216 0.187 8.510 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -11.300 -1.245 10.113 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -11.539 -1.844 8.542 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -10.409 -2.585 9.571 1.00 0.00 H new ATOM 839 N GLY A 57 -8.697 -3.755 4.913 1.00 0.00 N ATOM 840 CA GLY A 57 -8.362 -5.103 5.338 1.00 0.00 C ATOM 841 C GLY A 57 -6.852 -5.340 5.270 1.00 0.00 C ATOM 842 O GLY A 57 -6.086 -4.415 5.002 1.00 0.00 O ATOM 0 H GLY A 57 -7.897 -3.180 4.648 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -8.714 -5.265 6.357 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -8.876 -5.826 4.705 1.00 0.00 H new ATOM 846 N TRP A 58 -6.469 -6.584 5.519 1.00 0.00 N ATOM 847 CA TRP A 58 -5.064 -6.954 5.490 1.00 0.00 C ATOM 848 C TRP A 58 -4.766 -7.573 4.123 1.00 0.00 C ATOM 849 O TRP A 58 -5.350 -8.593 3.759 1.00 0.00 O ATOM 850 CB TRP A 58 -4.717 -7.882 6.655 1.00 0.00 C ATOM 851 CG TRP A 58 -4.711 -7.191 8.021 1.00 0.00 C ATOM 852 CD1 TRP A 58 -5.743 -7.003 8.855 1.00 0.00 C ATOM 853 CD2 TRP A 58 -3.571 -6.601 8.680 1.00 0.00 C ATOM 854 NE1 TRP A 58 -5.353 -6.337 9.999 1.00 0.00 N ATOM 855 CE2 TRP A 58 -3.990 -6.085 9.889 1.00 0.00 C ATOM 856 CE3 TRP A 58 -2.230 -6.506 8.269 1.00 0.00 C ATOM 857 CZ2 TRP A 58 -3.131 -5.438 10.786 1.00 0.00 C ATOM 858 CZ3 TRP A 58 -1.384 -5.857 9.176 1.00 0.00 C ATOM 859 CH2 TRP A 58 -1.791 -5.332 10.397 1.00 0.00 C ATOM 0 H TRP A 58 -7.107 -7.348 5.742 1.00 0.00 H new ATOM 0 HA TRP A 58 -4.431 -6.076 5.620 1.00 0.00 H new ATOM 0 HB2 TRP A 58 -5.433 -8.703 6.678 1.00 0.00 H new ATOM 0 HB3 TRP A 58 -3.735 -8.321 6.477 1.00 0.00 H new ATOM 0 HD1 TRP A 58 -6.753 -7.331 8.657 1.00 0.00 H new ATOM 0 HE1 TRP A 58 -5.954 -6.077 10.781 1.00 0.00 H new ATOM 0 HE3 TRP A 58 -1.880 -6.903 7.327 1.00 0.00 H new ATOM 0 HZ2 TRP A 58 -3.484 -5.042 11.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 58 -0.342 -5.757 8.908 1.00 0.00 H new ATOM 0 HH2 TRP A 58 -1.076 -4.844 11.043 1.00 0.00 H new ATOM 870 N PHE A 59 -3.858 -6.931 3.403 1.00 0.00 N ATOM 871 CA PHE A 59 -3.476 -7.407 2.084 1.00 0.00 C ATOM 872 C PHE A 59 -1.956 -7.545 1.970 1.00 0.00 C ATOM 873 O PHE A 59 -1.213 -6.887 2.697 1.00 0.00 O ATOM 874 CB PHE A 59 -3.958 -6.363 1.075 1.00 0.00 C ATOM 875 CG PHE A 59 -3.181 -5.046 1.122 1.00 0.00 C ATOM 876 CD1 PHE A 59 -1.910 -4.988 0.641 1.00 0.00 C ATOM 877 CD2 PHE A 59 -3.761 -3.933 1.645 1.00 0.00 C ATOM 878 CE1 PHE A 59 -1.189 -3.766 0.685 1.00 0.00 C ATOM 879 CE2 PHE A 59 -3.040 -2.710 1.689 1.00 0.00 C ATOM 880 CZ PHE A 59 -1.769 -2.653 1.208 1.00 0.00 C ATOM 0 H PHE A 59 -3.376 -6.085 3.708 1.00 0.00 H new ATOM 0 HA PHE A 59 -3.918 -8.386 1.899 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -3.883 -6.781 0.071 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -5.013 -6.157 1.257 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -1.449 -5.872 0.225 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -4.770 -3.979 2.027 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -0.180 -3.720 0.303 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -3.501 -1.826 2.104 1.00 0.00 H new ATOM 0 HZ PHE A 59 -1.220 -1.723 1.242 1.00 0.00 H new ATOM 890 N PRO A 60 -1.528 -8.427 1.028 1.00 0.00 N ATOM 891 CA PRO A 60 -0.111 -8.660 0.809 1.00 0.00 C ATOM 892 C PRO A 60 0.527 -7.492 0.054 1.00 0.00 C ATOM 893 O PRO A 60 -0.008 -7.036 -0.955 1.00 0.00 O ATOM 894 CB PRO A 60 -0.041 -9.971 0.044 1.00 0.00 C ATOM 895 CG PRO A 60 -1.427 -10.187 -0.541 1.00 0.00 C ATOM 896 CD PRO A 60 -2.379 -9.224 0.149 1.00 0.00 C ATOM 0 HA PRO A 60 0.453 -8.727 1.740 1.00 0.00 H new ATOM 0 HB2 PRO A 60 0.712 -9.924 -0.743 1.00 0.00 H new ATOM 0 HB3 PRO A 60 0.237 -10.793 0.703 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -1.419 -10.011 -1.617 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -1.749 -11.217 -0.389 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -2.900 -8.596 -0.574 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -3.142 -9.759 0.715 1.00 0.00 H new ATOM 904 N ALA A 61 1.660 -7.041 0.573 1.00 0.00 N ATOM 905 CA ALA A 61 2.375 -5.935 -0.040 1.00 0.00 C ATOM 906 C ALA A 61 3.027 -6.413 -1.340 1.00 0.00 C ATOM 907 O ALA A 61 3.334 -5.607 -2.217 1.00 0.00 O ATOM 908 CB ALA A 61 3.396 -5.375 0.952 1.00 0.00 C ATOM 0 H ALA A 61 2.100 -7.422 1.411 1.00 0.00 H new ATOM 0 HA ALA A 61 1.688 -5.127 -0.293 1.00 0.00 H new ATOM 0 HB1 ALA A 61 3.933 -4.545 0.492 1.00 0.00 H new ATOM 0 HB2 ALA A 61 2.880 -5.023 1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 61 4.104 -6.157 1.226 1.00 0.00 H new ATOM 914 N SER A 62 3.219 -7.721 -1.422 1.00 0.00 N ATOM 915 CA SER A 62 3.828 -8.315 -2.600 1.00 0.00 C ATOM 916 C SER A 62 2.945 -8.072 -3.825 1.00 0.00 C ATOM 917 O SER A 62 3.378 -8.279 -4.958 1.00 0.00 O ATOM 918 CB SER A 62 4.062 -9.814 -2.403 1.00 0.00 C ATOM 919 OG SER A 62 5.374 -10.091 -1.922 1.00 0.00 O ATOM 0 H SER A 62 2.964 -8.386 -0.692 1.00 0.00 H new ATOM 0 HA SER A 62 4.797 -7.842 -2.759 1.00 0.00 H new ATOM 0 HB2 SER A 62 3.328 -10.206 -1.699 1.00 0.00 H new ATOM 0 HB3 SER A 62 3.906 -10.333 -3.349 1.00 0.00 H new ATOM 0 HG SER A 62 5.483 -11.058 -1.808 1.00 0.00 H new ATOM 925 N HIS A 63 1.723 -7.637 -3.557 1.00 0.00 N ATOM 926 CA HIS A 63 0.775 -7.364 -4.624 1.00 0.00 C ATOM 927 C HIS A 63 0.848 -5.885 -5.009 1.00 0.00 C ATOM 928 O HIS A 63 0.476 -5.510 -6.120 1.00 0.00 O ATOM 929 CB HIS A 63 -0.635 -7.803 -4.223 1.00 0.00 C ATOM 930 CG HIS A 63 -0.950 -9.241 -4.562 1.00 0.00 C ATOM 931 ND1 HIS A 63 -1.669 -9.606 -5.686 1.00 0.00 N ATOM 932 CD2 HIS A 63 -0.635 -10.398 -3.913 1.00 0.00 C ATOM 933 CE1 HIS A 63 -1.777 -10.926 -5.703 1.00 0.00 C ATOM 934 NE2 HIS A 63 -1.136 -11.416 -4.603 1.00 0.00 N ATOM 0 H HIS A 63 1.367 -7.467 -2.616 1.00 0.00 H new ATOM 0 HA HIS A 63 1.037 -7.947 -5.507 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.758 -7.658 -3.150 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -1.360 -7.157 -4.717 1.00 0.00 H new ATOM 0 HD1 HIS A 63 -2.051 -8.967 -6.383 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -0.073 -10.474 -2.994 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -2.284 -11.512 -6.456 1.00 0.00 H new ATOM 942 N VAL A 64 1.329 -5.085 -4.069 1.00 0.00 N ATOM 943 CA VAL A 64 1.456 -3.655 -4.296 1.00 0.00 C ATOM 944 C VAL A 64 2.936 -3.269 -4.276 1.00 0.00 C ATOM 945 O VAL A 64 3.797 -4.108 -4.016 1.00 0.00 O ATOM 946 CB VAL A 64 0.623 -2.886 -3.268 1.00 0.00 C ATOM 947 CG1 VAL A 64 -0.704 -3.597 -2.995 1.00 0.00 C ATOM 948 CG2 VAL A 64 1.410 -2.676 -1.973 1.00 0.00 C ATOM 0 H VAL A 64 1.636 -5.400 -3.148 1.00 0.00 H new ATOM 0 HA VAL A 64 1.064 -3.388 -5.277 1.00 0.00 H new ATOM 0 HB VAL A 64 0.397 -1.905 -3.686 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -1.276 -3.030 -2.261 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -1.274 -3.672 -3.921 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.508 -4.597 -2.608 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.796 -2.127 -1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 64 1.680 -3.644 -1.551 1.00 0.00 H new ATOM 0 HG23 VAL A 64 2.315 -2.107 -2.186 1.00 0.00 H new ATOM 958 N LYS A 65 3.187 -1.998 -4.555 1.00 0.00 N ATOM 959 CA LYS A 65 4.548 -1.491 -4.572 1.00 0.00 C ATOM 960 C LYS A 65 4.582 -0.109 -3.915 1.00 0.00 C ATOM 961 O LYS A 65 3.789 0.766 -4.260 1.00 0.00 O ATOM 962 CB LYS A 65 5.109 -1.508 -5.996 1.00 0.00 C ATOM 963 CG LYS A 65 4.428 -0.448 -6.865 1.00 0.00 C ATOM 964 CD LYS A 65 5.138 -0.308 -8.214 1.00 0.00 C ATOM 965 CE LYS A 65 5.631 1.125 -8.427 1.00 0.00 C ATOM 966 NZ LYS A 65 6.691 1.160 -9.459 1.00 0.00 N ATOM 0 H LYS A 65 2.471 -1.305 -4.771 1.00 0.00 H new ATOM 0 HA LYS A 65 5.202 -2.139 -3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 65 6.184 -1.327 -5.970 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.963 -2.494 -6.437 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.385 -0.719 -7.025 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.432 0.511 -6.346 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.981 -0.997 -8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 65 4.457 -0.586 -9.018 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.799 1.761 -8.730 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.015 1.527 -7.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.014 2.140 -9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.491 0.569 -9.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.313 0.796 -10.357 1.00 0.00 H new ATOM 980 N LEU A 66 5.507 0.043 -2.979 1.00 0.00 N ATOM 981 CA LEU A 66 5.654 1.303 -2.270 1.00 0.00 C ATOM 982 C LEU A 66 5.968 2.414 -3.274 1.00 0.00 C ATOM 983 O LEU A 66 6.721 2.203 -4.223 1.00 0.00 O ATOM 984 CB LEU A 66 6.691 1.172 -1.153 1.00 0.00 C ATOM 985 CG LEU A 66 6.139 0.885 0.245 1.00 0.00 C ATOM 986 CD1 LEU A 66 7.266 0.544 1.221 1.00 0.00 C ATOM 987 CD2 LEU A 66 5.281 2.050 0.745 1.00 0.00 C ATOM 0 H LEU A 66 6.162 -0.685 -2.695 1.00 0.00 H new ATOM 0 HA LEU A 66 4.721 1.573 -1.776 1.00 0.00 H new ATOM 0 HB2 LEU A 66 7.384 0.374 -1.419 1.00 0.00 H new ATOM 0 HB3 LEU A 66 7.269 2.095 -1.111 1.00 0.00 H new ATOM 0 HG LEU A 66 5.492 0.010 0.183 1.00 0.00 H new ATOM 0 HD11 LEU A 66 6.846 0.345 2.207 1.00 0.00 H new ATOM 0 HD12 LEU A 66 7.798 -0.339 0.868 1.00 0.00 H new ATOM 0 HD13 LEU A 66 7.958 1.383 1.285 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.901 1.821 1.741 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.886 2.956 0.787 1.00 0.00 H new ATOM 0 HD23 LEU A 66 4.444 2.204 0.064 1.00 0.00 H new ATOM 999 N LEU A 67 5.376 3.574 -3.029 1.00 0.00 N ATOM 1000 CA LEU A 67 5.583 4.718 -3.899 1.00 0.00 C ATOM 1001 C LEU A 67 6.597 5.666 -3.255 1.00 0.00 C ATOM 1002 O LEU A 67 6.739 6.811 -3.682 1.00 0.00 O ATOM 1003 CB LEU A 67 4.247 5.384 -4.237 1.00 0.00 C ATOM 1004 CG LEU A 67 3.348 4.625 -5.215 1.00 0.00 C ATOM 1005 CD1 LEU A 67 2.339 5.566 -5.876 1.00 0.00 C ATOM 1006 CD2 LEU A 67 4.181 3.862 -6.247 1.00 0.00 C ATOM 0 H LEU A 67 4.753 3.746 -2.240 1.00 0.00 H new ATOM 0 HA LEU A 67 6.004 4.400 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.695 5.536 -3.310 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.450 6.371 -4.652 1.00 0.00 H new ATOM 0 HG LEU A 67 2.778 3.886 -4.651 1.00 0.00 H new ATOM 0 HD11 LEU A 67 1.713 5.001 -6.566 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.713 6.024 -5.110 1.00 0.00 H new ATOM 0 HD13 LEU A 67 2.871 6.344 -6.423 1.00 0.00 H new ATOM 0 HD21 LEU A 67 3.517 3.331 -6.930 1.00 0.00 H new ATOM 0 HD22 LEU A 67 4.795 4.565 -6.810 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.825 3.146 -5.737 1.00 0.00 H new