USER MOD reduce.3.24.130724 H: found=0, std=0, add=609, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 611 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 69 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 71 GLN : amide:sc= 0 X(o=0,f=-0.0071) USER MOD Set 2.1: A 39 TYR OH : rot 180:sc= -0.307 USER MOD Set 2.2: A 80 GLN : amide:sc= -0.0319 X(o=-16,f=-16) USER MOD Set 2.3: A 83 HIS : no HD1:sc= -15.5! C(o=-16!,f=-26!) USER MOD Single : A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 MET CE :methyl -134:sc= -7.13! (180deg=-9.2!) USER MOD Single : A 28 SER OG : rot -130:sc= -1.96! USER MOD Single : A 30 GLN :FLIP amide:sc= -0.341 F(o=-2.2,f=-0.34) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.0259 USER MOD Single : A 32 THR OG1 : rot 180:sc=-0.000795 USER MOD Single : A 33 GLN : amide:sc= -0.116 K(o=-0.12,f=-2.3!) USER MOD Single : A 42 GLN : amide:sc= -0.619 K(o=-0.62,f=-2.8!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 CYS SG : rot 5:sc= -2.91! USER MOD Single : A 52 MET CE :methyl -170:sc= -9.03! (180deg=-9.57!) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -57:sc= 0.337 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 THR OG1 : rot -1:sc= 1.25 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 20 -3.587 12.857 -0.994 1.00 0.00 N ATOM 2 CA CYS A 20 -2.669 11.771 -0.544 1.00 0.00 C ATOM 3 C CYS A 20 -2.247 10.910 -1.737 1.00 0.00 C ATOM 4 O CYS A 20 -2.938 10.833 -2.734 1.00 0.00 O ATOM 5 CB CYS A 20 -3.489 10.948 0.450 1.00 0.00 C ATOM 6 SG CYS A 20 -2.811 11.165 2.115 1.00 0.00 S ATOM 0 HA CYS A 20 -1.755 12.160 -0.094 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -4.532 11.263 0.426 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -3.468 9.894 0.171 1.00 0.00 H new ATOM 0 HG CYS A 20 -3.509 10.468 2.962 1.00 0.00 H new ATOM 14 N LYS A 21 -1.117 10.266 -1.647 1.00 0.00 N ATOM 15 CA LYS A 21 -0.653 9.416 -2.780 1.00 0.00 C ATOM 16 C LYS A 21 -1.531 8.168 -2.903 1.00 0.00 C ATOM 17 O LYS A 21 -2.225 7.790 -1.980 1.00 0.00 O ATOM 18 CB LYS A 21 0.784 9.031 -2.429 1.00 0.00 C ATOM 19 CG LYS A 21 0.803 8.266 -1.106 1.00 0.00 C ATOM 20 CD LYS A 21 1.944 8.792 -0.232 1.00 0.00 C ATOM 21 CE LYS A 21 2.236 7.792 0.890 1.00 0.00 C ATOM 22 NZ LYS A 21 3.351 8.404 1.665 1.00 0.00 N ATOM 0 H LYS A 21 -0.495 10.291 -0.839 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.711 9.938 -3.735 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.210 8.416 -3.222 1.00 0.00 H new ATOM 0 HB3 LYS A 21 1.402 9.926 -2.352 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.150 8.385 -0.590 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.934 7.200 -1.291 1.00 0.00 H new ATOM 0 HD2 LYS A 21 2.838 8.946 -0.837 1.00 0.00 H new ATOM 0 HD3 LYS A 21 1.675 9.760 0.191 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.359 7.634 1.517 1.00 0.00 H new ATOM 0 HE3 LYS A 21 2.520 6.819 0.489 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 3.610 7.778 2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 4.174 8.537 1.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 3.048 9.326 2.040 1.00 0.00 H new ATOM 36 N MET A 22 -1.506 7.529 -4.039 1.00 0.00 N ATOM 37 CA MET A 22 -2.339 6.308 -4.230 1.00 0.00 C ATOM 38 C MET A 22 -1.591 5.070 -3.726 1.00 0.00 C ATOM 39 O MET A 22 -0.430 5.135 -3.373 1.00 0.00 O ATOM 40 CB MET A 22 -2.566 6.224 -5.744 1.00 0.00 C ATOM 41 CG MET A 22 -3.005 4.810 -6.129 1.00 0.00 C ATOM 42 SD MET A 22 -3.389 4.757 -7.898 1.00 0.00 S ATOM 43 CE MET A 22 -1.687 4.618 -8.498 1.00 0.00 C ATOM 0 H MET A 22 -0.943 7.800 -4.846 1.00 0.00 H new ATOM 0 HA MET A 22 -3.277 6.354 -3.677 1.00 0.00 H new ATOM 0 HB2 MET A 22 -3.326 6.945 -6.047 1.00 0.00 H new ATOM 0 HB3 MET A 22 -1.649 6.486 -6.273 1.00 0.00 H new ATOM 0 HG2 MET A 22 -2.215 4.096 -5.896 1.00 0.00 H new ATOM 0 HG3 MET A 22 -3.879 4.518 -5.547 1.00 0.00 H new ATOM 0 HE1 MET A 22 -1.534 5.313 -9.324 1.00 0.00 H new ATOM 0 HE2 MET A 22 -0.996 4.857 -7.690 1.00 0.00 H new ATOM 0 HE3 MET A 22 -1.504 3.600 -8.842 1.00 0.00 H new ATOM 53 N PHE A 23 -2.248 3.945 -3.691 1.00 0.00 N ATOM 54 CA PHE A 23 -1.583 2.701 -3.219 1.00 0.00 C ATOM 55 C PHE A 23 -2.180 1.501 -3.952 1.00 0.00 C ATOM 56 O PHE A 23 -3.372 1.425 -4.169 1.00 0.00 O ATOM 57 CB PHE A 23 -1.886 2.629 -1.720 1.00 0.00 C ATOM 58 CG PHE A 23 -1.663 1.220 -1.206 1.00 0.00 C ATOM 59 CD1 PHE A 23 -2.573 0.203 -1.518 1.00 0.00 C ATOM 60 CD2 PHE A 23 -0.551 0.935 -0.407 1.00 0.00 C ATOM 61 CE1 PHE A 23 -2.372 -1.095 -1.031 1.00 0.00 C ATOM 62 CE2 PHE A 23 -0.347 -0.363 0.078 1.00 0.00 C ATOM 63 CZ PHE A 23 -1.258 -1.378 -0.234 1.00 0.00 C ATOM 0 H PHE A 23 -3.223 3.834 -3.971 1.00 0.00 H new ATOM 0 HA PHE A 23 -0.509 2.697 -3.408 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -1.247 3.326 -1.179 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -2.917 2.932 -1.535 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -3.432 0.420 -2.136 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.152 1.718 -0.163 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -3.077 -1.877 -1.271 1.00 0.00 H new ATOM 0 HE2 PHE A 23 0.514 -0.580 0.693 1.00 0.00 H new ATOM 0 HZ PHE A 23 -1.101 -2.379 0.140 1.00 0.00 H new ATOM 73 N ILE A 24 -1.363 0.568 -4.337 1.00 0.00 N ATOM 74 CA ILE A 24 -1.879 -0.627 -5.055 1.00 0.00 C ATOM 75 C ILE A 24 -1.752 -1.850 -4.135 1.00 0.00 C ATOM 76 O ILE A 24 -0.731 -2.064 -3.517 1.00 0.00 O ATOM 77 CB ILE A 24 -0.997 -0.720 -6.301 1.00 0.00 C ATOM 78 CG1 ILE A 24 -1.542 0.234 -7.370 1.00 0.00 C ATOM 79 CG2 ILE A 24 -1.017 -2.144 -6.844 1.00 0.00 C ATOM 80 CD1 ILE A 24 -1.784 1.614 -6.753 1.00 0.00 C ATOM 0 H ILE A 24 -0.354 0.580 -4.185 1.00 0.00 H new ATOM 0 HA ILE A 24 -2.931 -0.571 -5.335 1.00 0.00 H new ATOM 0 HB ILE A 24 0.026 -0.448 -6.042 1.00 0.00 H new ATOM 0 HG12 ILE A 24 -0.835 0.313 -8.196 1.00 0.00 H new ATOM 0 HG13 ILE A 24 -2.471 -0.159 -7.783 1.00 0.00 H new ATOM 0 HG21 ILE A 24 -0.387 -2.204 -7.731 1.00 0.00 H new ATOM 0 HG22 ILE A 24 -0.640 -2.828 -6.084 1.00 0.00 H new ATOM 0 HG23 ILE A 24 -2.039 -2.419 -7.105 1.00 0.00 H new ATOM 0 HD11 ILE A 24 -2.171 2.290 -7.515 1.00 0.00 H new ATOM 0 HD12 ILE A 24 -2.507 1.528 -5.942 1.00 0.00 H new ATOM 0 HD13 ILE A 24 -0.846 2.007 -6.362 1.00 0.00 H new ATOM 92 N GLY A 25 -2.803 -2.616 -3.989 1.00 0.00 N ATOM 93 CA GLY A 25 -2.759 -3.776 -3.044 1.00 0.00 C ATOM 94 C GLY A 25 -2.416 -5.100 -3.732 1.00 0.00 C ATOM 95 O GLY A 25 -3.133 -5.579 -4.588 1.00 0.00 O ATOM 0 H GLY A 25 -3.688 -2.490 -4.481 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -2.021 -3.576 -2.267 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.726 -3.871 -2.549 1.00 0.00 H new ATOM 99 N GLY A 26 -1.340 -5.715 -3.306 1.00 0.00 N ATOM 100 CA GLY A 26 -0.928 -7.042 -3.859 1.00 0.00 C ATOM 101 C GLY A 26 -0.289 -6.883 -5.232 1.00 0.00 C ATOM 102 O GLY A 26 -0.345 -7.767 -6.060 1.00 0.00 O ATOM 0 H GLY A 26 -0.719 -5.346 -2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.224 -7.521 -3.179 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -1.797 -7.696 -3.931 1.00 0.00 H new ATOM 106 N LEU A 27 0.313 -5.762 -5.481 1.00 0.00 N ATOM 107 CA LEU A 27 0.946 -5.546 -6.809 1.00 0.00 C ATOM 108 C LEU A 27 1.833 -6.736 -7.176 1.00 0.00 C ATOM 109 O LEU A 27 2.483 -7.326 -6.336 1.00 0.00 O ATOM 110 CB LEU A 27 1.749 -4.245 -6.673 1.00 0.00 C ATOM 111 CG LEU A 27 3.158 -4.530 -6.152 1.00 0.00 C ATOM 112 CD1 LEU A 27 3.965 -3.231 -6.165 1.00 0.00 C ATOM 113 CD2 LEU A 27 3.074 -5.060 -4.721 1.00 0.00 C ATOM 0 H LEU A 27 0.396 -4.985 -4.826 1.00 0.00 H new ATOM 0 HA LEU A 27 0.213 -5.464 -7.611 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.808 -3.746 -7.640 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.236 -3.565 -5.994 1.00 0.00 H new ATOM 0 HG LEU A 27 3.642 -5.273 -6.785 1.00 0.00 H new ATOM 0 HD11 LEU A 27 4.972 -3.424 -5.795 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.020 -2.847 -7.184 1.00 0.00 H new ATOM 0 HD13 LEU A 27 3.479 -2.494 -5.526 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.078 -5.263 -4.349 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.595 -4.316 -4.085 1.00 0.00 H new ATOM 0 HD23 LEU A 27 2.489 -5.979 -4.707 1.00 0.00 H new ATOM 125 N SER A 28 1.842 -7.097 -8.429 1.00 0.00 N ATOM 126 CA SER A 28 2.664 -8.259 -8.877 1.00 0.00 C ATOM 127 C SER A 28 4.012 -8.271 -8.154 1.00 0.00 C ATOM 128 O SER A 28 4.778 -7.333 -8.226 1.00 0.00 O ATOM 129 CB SER A 28 2.864 -8.047 -10.376 1.00 0.00 C ATOM 130 OG SER A 28 1.788 -8.648 -11.084 1.00 0.00 O ATOM 0 H SER A 28 1.312 -6.635 -9.168 1.00 0.00 H new ATOM 0 HA SER A 28 2.181 -9.211 -8.658 1.00 0.00 H new ATOM 0 HB2 SER A 28 2.912 -6.982 -10.601 1.00 0.00 H new ATOM 0 HB3 SER A 28 3.811 -8.483 -10.693 1.00 0.00 H new ATOM 0 HG SER A 28 2.144 -9.216 -11.799 1.00 0.00 H new ATOM 136 N TRP A 29 4.302 -9.329 -7.452 1.00 0.00 N ATOM 137 CA TRP A 29 5.597 -9.403 -6.718 1.00 0.00 C ATOM 138 C TRP A 29 6.770 -9.264 -7.691 1.00 0.00 C ATOM 139 O TRP A 29 7.832 -8.792 -7.334 1.00 0.00 O ATOM 140 CB TRP A 29 5.603 -10.784 -6.059 1.00 0.00 C ATOM 141 CG TRP A 29 5.591 -11.842 -7.115 1.00 0.00 C ATOM 142 CD1 TRP A 29 4.489 -12.272 -7.772 1.00 0.00 C ATOM 143 CD2 TRP A 29 6.710 -12.611 -7.646 1.00 0.00 C ATOM 144 NE1 TRP A 29 4.859 -13.255 -8.672 1.00 0.00 N ATOM 145 CE2 TRP A 29 6.218 -13.499 -8.633 1.00 0.00 C ATOM 146 CE3 TRP A 29 8.089 -12.624 -7.371 1.00 0.00 C ATOM 147 CZ2 TRP A 29 7.065 -14.368 -9.321 1.00 0.00 C ATOM 148 CZ3 TRP A 29 8.944 -13.498 -8.063 1.00 0.00 C ATOM 149 CH2 TRP A 29 8.432 -14.369 -9.036 1.00 0.00 C ATOM 0 H TRP A 29 3.699 -10.146 -7.354 1.00 0.00 H new ATOM 0 HA TRP A 29 5.700 -8.603 -5.985 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.486 -10.894 -5.429 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.734 -10.893 -5.411 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.484 -11.907 -7.619 1.00 0.00 H new ATOM 0 HE1 TRP A 29 4.208 -13.740 -9.289 1.00 0.00 H new ATOM 0 HE3 TRP A 29 8.493 -11.958 -6.623 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 6.666 -15.036 -10.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 10.002 -13.499 -7.845 1.00 0.00 H new ATOM 0 HH2 TRP A 29 9.094 -15.039 -9.564 1.00 0.00 H new ATOM 160 N GLN A 30 6.591 -9.675 -8.916 1.00 0.00 N ATOM 161 CA GLN A 30 7.694 -9.572 -9.903 1.00 0.00 C ATOM 162 C GLN A 30 7.752 -8.170 -10.500 1.00 0.00 C ATOM 163 O GLN A 30 8.708 -7.793 -11.148 1.00 0.00 O ATOM 164 CB GLN A 30 7.364 -10.607 -10.983 1.00 0.00 C ATOM 165 CG GLN A 30 6.309 -10.038 -11.941 1.00 0.00 C ATOM 166 CD GLN A 30 5.310 -11.137 -12.309 1.00 0.00 C ATOM 167 OE1 GLN A 30 5.495 -11.831 -13.399 1.00 0.00 O flip ATOM 168 NE2 GLN A 30 4.352 -11.366 -11.598 1.00 0.00 N flip ATOM 0 H GLN A 30 5.725 -10.078 -9.274 1.00 0.00 H new ATOM 0 HA GLN A 30 8.667 -9.756 -9.447 1.00 0.00 H new ATOM 0 HB2 GLN A 30 8.266 -10.870 -11.535 1.00 0.00 H new ATOM 0 HB3 GLN A 30 6.994 -11.523 -10.522 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.790 -9.202 -11.473 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.789 -9.652 -12.840 1.00 0.00 H new ATOM 0 HE21 GLN A 30 4.208 -10.824 -10.746 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.692 -12.101 -11.853 1.00 0.00 H new ATOM 177 N THR A 31 6.727 -7.403 -10.296 1.00 0.00 N ATOM 178 CA THR A 31 6.705 -6.031 -10.858 1.00 0.00 C ATOM 179 C THR A 31 7.821 -5.188 -10.242 1.00 0.00 C ATOM 180 O THR A 31 8.690 -5.689 -9.557 1.00 0.00 O ATOM 181 CB THR A 31 5.325 -5.470 -10.497 1.00 0.00 C ATOM 182 OG1 THR A 31 5.015 -4.391 -11.369 1.00 0.00 O ATOM 183 CG2 THR A 31 5.319 -4.972 -9.049 1.00 0.00 C ATOM 0 H THR A 31 5.899 -7.667 -9.762 1.00 0.00 H new ATOM 0 HA THR A 31 6.869 -6.023 -11.936 1.00 0.00 H new ATOM 0 HB THR A 31 4.580 -6.259 -10.603 1.00 0.00 H new ATOM 0 HG1 THR A 31 4.132 -4.031 -11.142 1.00 0.00 H new ATOM 0 HG21 THR A 31 4.333 -4.576 -8.805 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.554 -5.799 -8.379 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.065 -4.186 -8.931 1.00 0.00 H new ATOM 191 N THR A 32 7.798 -3.910 -10.481 1.00 0.00 N ATOM 192 CA THR A 32 8.853 -3.024 -9.908 1.00 0.00 C ATOM 193 C THR A 32 8.313 -1.601 -9.757 1.00 0.00 C ATOM 194 O THR A 32 7.131 -1.359 -9.899 1.00 0.00 O ATOM 195 CB THR A 32 10.002 -3.065 -10.916 1.00 0.00 C ATOM 196 OG1 THR A 32 11.150 -2.449 -10.349 1.00 0.00 O ATOM 197 CG2 THR A 32 9.597 -2.317 -12.185 1.00 0.00 C ATOM 0 H THR A 32 7.095 -3.437 -11.049 1.00 0.00 H new ATOM 0 HA THR A 32 9.176 -3.348 -8.919 1.00 0.00 H new ATOM 0 HB THR A 32 10.230 -4.102 -11.164 1.00 0.00 H new ATOM 0 HG1 THR A 32 11.888 -2.476 -10.993 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.417 -2.347 -12.902 1.00 0.00 H new ATOM 0 HG22 THR A 32 8.716 -2.789 -12.620 1.00 0.00 H new ATOM 0 HG23 THR A 32 9.368 -1.280 -11.939 1.00 0.00 H new ATOM 205 N GLN A 33 9.163 -0.658 -9.460 1.00 0.00 N ATOM 206 CA GLN A 33 8.686 0.736 -9.294 1.00 0.00 C ATOM 207 C GLN A 33 8.369 1.354 -10.651 1.00 0.00 C ATOM 208 O GLN A 33 7.222 1.535 -10.995 1.00 0.00 O ATOM 209 CB GLN A 33 9.824 1.495 -8.598 1.00 0.00 C ATOM 210 CG GLN A 33 10.478 0.605 -7.537 1.00 0.00 C ATOM 211 CD GLN A 33 11.282 1.474 -6.569 1.00 0.00 C ATOM 212 OE1 GLN A 33 11.145 2.682 -6.560 1.00 0.00 O ATOM 213 NE2 GLN A 33 12.124 0.908 -5.748 1.00 0.00 N ATOM 0 H GLN A 33 10.165 -0.795 -9.326 1.00 0.00 H new ATOM 0 HA GLN A 33 7.769 0.779 -8.706 1.00 0.00 H new ATOM 0 HB2 GLN A 33 10.567 1.805 -9.332 1.00 0.00 H new ATOM 0 HB3 GLN A 33 9.436 2.402 -8.134 1.00 0.00 H new ATOM 0 HG2 GLN A 33 9.715 0.047 -6.994 1.00 0.00 H new ATOM 0 HG3 GLN A 33 11.130 -0.127 -8.013 1.00 0.00 H new ATOM 0 HE21 GLN A 33 12.240 -0.105 -5.755 1.00 0.00 H new ATOM 0 HE22 GLN A 33 12.666 1.479 -5.100 1.00 0.00 H new ATOM 222 N GLU A 34 9.361 1.683 -11.430 1.00 0.00 N ATOM 223 CA GLU A 34 9.066 2.284 -12.750 1.00 0.00 C ATOM 224 C GLU A 34 8.002 1.465 -13.461 1.00 0.00 C ATOM 225 O GLU A 34 7.083 1.999 -14.037 1.00 0.00 O ATOM 226 CB GLU A 34 10.379 2.244 -13.518 1.00 0.00 C ATOM 227 CG GLU A 34 10.441 3.466 -14.420 1.00 0.00 C ATOM 228 CD GLU A 34 11.388 3.198 -15.591 1.00 0.00 C ATOM 229 OE1 GLU A 34 12.074 2.189 -15.554 1.00 0.00 O ATOM 230 OE2 GLU A 34 11.412 4.005 -16.506 1.00 0.00 O ATOM 0 H GLU A 34 10.350 1.562 -11.210 1.00 0.00 H new ATOM 0 HA GLU A 34 8.687 3.302 -12.665 1.00 0.00 H new ATOM 0 HB2 GLU A 34 11.223 2.238 -12.828 1.00 0.00 H new ATOM 0 HB3 GLU A 34 10.445 1.331 -14.110 1.00 0.00 H new ATOM 0 HG2 GLU A 34 9.445 3.705 -14.793 1.00 0.00 H new ATOM 0 HG3 GLU A 34 10.785 4.331 -13.853 1.00 0.00 H new ATOM 237 N GLY A 35 8.103 0.174 -13.413 1.00 0.00 N ATOM 238 CA GLY A 35 7.066 -0.655 -14.075 1.00 0.00 C ATOM 239 C GLY A 35 5.713 -0.245 -13.507 1.00 0.00 C ATOM 240 O GLY A 35 4.701 -0.280 -14.180 1.00 0.00 O ATOM 0 H GLY A 35 8.851 -0.342 -12.949 1.00 0.00 H new ATOM 0 HA2 GLY A 35 7.089 -0.506 -15.154 1.00 0.00 H new ATOM 0 HA3 GLY A 35 7.251 -1.714 -13.896 1.00 0.00 H new ATOM 244 N LEU A 36 5.687 0.188 -12.277 1.00 0.00 N ATOM 245 CA LEU A 36 4.417 0.635 -11.693 1.00 0.00 C ATOM 246 C LEU A 36 4.185 2.079 -12.152 1.00 0.00 C ATOM 247 O LEU A 36 3.079 2.479 -12.458 1.00 0.00 O ATOM 248 CB LEU A 36 4.647 0.515 -10.182 1.00 0.00 C ATOM 249 CG LEU A 36 4.119 1.746 -9.462 1.00 0.00 C ATOM 250 CD1 LEU A 36 2.646 1.943 -9.821 1.00 0.00 C ATOM 251 CD2 LEU A 36 4.266 1.538 -7.957 1.00 0.00 C ATOM 0 H LEU A 36 6.497 0.247 -11.660 1.00 0.00 H new ATOM 0 HA LEU A 36 3.536 0.065 -11.987 1.00 0.00 H new ATOM 0 HB2 LEU A 36 4.149 -0.377 -9.802 1.00 0.00 H new ATOM 0 HB3 LEU A 36 5.711 0.396 -9.979 1.00 0.00 H new ATOM 0 HG LEU A 36 4.682 2.630 -9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.261 2.824 -9.308 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.549 2.079 -10.898 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.076 1.066 -9.513 1.00 0.00 H new ATOM 0 HD21 LEU A 36 3.890 2.415 -7.430 1.00 0.00 H new ATOM 0 HD22 LEU A 36 3.695 0.660 -7.654 1.00 0.00 H new ATOM 0 HD23 LEU A 36 5.318 1.390 -7.711 1.00 0.00 H new ATOM 263 N ARG A 37 5.238 2.852 -12.228 1.00 0.00 N ATOM 264 CA ARG A 37 5.103 4.250 -12.695 1.00 0.00 C ATOM 265 C ARG A 37 4.610 4.233 -14.123 1.00 0.00 C ATOM 266 O ARG A 37 3.992 5.156 -14.611 1.00 0.00 O ATOM 267 CB ARG A 37 6.514 4.820 -12.621 1.00 0.00 C ATOM 268 CG ARG A 37 7.034 4.644 -11.203 1.00 0.00 C ATOM 269 CD ARG A 37 6.761 5.923 -10.416 1.00 0.00 C ATOM 270 NE ARG A 37 8.091 6.358 -9.910 1.00 0.00 N ATOM 271 CZ ARG A 37 8.695 7.376 -10.459 1.00 0.00 C ATOM 272 NH1 ARG A 37 8.424 7.708 -11.692 1.00 0.00 N ATOM 273 NH2 ARG A 37 9.571 8.061 -9.776 1.00 0.00 N ATOM 0 H ARG A 37 6.186 2.567 -11.984 1.00 0.00 H new ATOM 0 HA ARG A 37 4.402 4.840 -12.105 1.00 0.00 H new ATOM 0 HB2 ARG A 37 7.166 4.309 -13.329 1.00 0.00 H new ATOM 0 HB3 ARG A 37 6.511 5.875 -12.895 1.00 0.00 H new ATOM 0 HG2 ARG A 37 6.545 3.795 -10.725 1.00 0.00 H new ATOM 0 HG3 ARG A 37 8.103 4.430 -11.217 1.00 0.00 H new ATOM 0 HD2 ARG A 37 6.311 6.687 -11.050 1.00 0.00 H new ATOM 0 HD3 ARG A 37 6.067 5.740 -9.595 1.00 0.00 H new ATOM 0 HE ARG A 37 8.530 5.861 -9.135 1.00 0.00 H new ATOM 0 HH11 ARG A 37 7.740 7.172 -12.226 1.00 0.00 H new ATOM 0 HH12 ARG A 37 8.896 8.504 -12.121 1.00 0.00 H new ATOM 0 HH21 ARG A 37 9.784 7.801 -8.813 1.00 0.00 H new ATOM 0 HH22 ARG A 37 10.043 8.857 -10.205 1.00 0.00 H new ATOM 287 N GLU A 38 4.889 3.162 -14.782 1.00 0.00 N ATOM 288 CA GLU A 38 4.463 3.001 -16.178 1.00 0.00 C ATOM 289 C GLU A 38 3.083 2.339 -16.194 1.00 0.00 C ATOM 290 O GLU A 38 2.360 2.404 -17.168 1.00 0.00 O ATOM 291 CB GLU A 38 5.557 2.120 -16.817 1.00 0.00 C ATOM 292 CG GLU A 38 5.124 0.655 -16.874 1.00 0.00 C ATOM 293 CD GLU A 38 4.464 0.367 -18.223 1.00 0.00 C ATOM 294 OE1 GLU A 38 5.187 0.095 -19.168 1.00 0.00 O ATOM 295 OE2 GLU A 38 3.247 0.425 -18.290 1.00 0.00 O ATOM 0 H GLU A 38 5.408 2.371 -14.400 1.00 0.00 H new ATOM 0 HA GLU A 38 4.361 3.936 -16.729 1.00 0.00 H new ATOM 0 HB2 GLU A 38 5.773 2.477 -17.824 1.00 0.00 H new ATOM 0 HB3 GLU A 38 6.479 2.207 -16.243 1.00 0.00 H new ATOM 0 HG2 GLU A 38 5.987 0.004 -16.734 1.00 0.00 H new ATOM 0 HG3 GLU A 38 4.428 0.439 -16.064 1.00 0.00 H new ATOM 302 N TYR A 39 2.712 1.703 -15.106 1.00 0.00 N ATOM 303 CA TYR A 39 1.383 1.046 -15.054 1.00 0.00 C ATOM 304 C TYR A 39 0.295 2.072 -14.731 1.00 0.00 C ATOM 305 O TYR A 39 -0.855 1.909 -15.091 1.00 0.00 O ATOM 306 CB TYR A 39 1.481 0.009 -13.936 1.00 0.00 C ATOM 307 CG TYR A 39 0.180 -0.757 -13.855 1.00 0.00 C ATOM 308 CD1 TYR A 39 -0.990 -0.115 -13.425 1.00 0.00 C ATOM 309 CD2 TYR A 39 0.142 -2.110 -14.219 1.00 0.00 C ATOM 310 CE1 TYR A 39 -2.196 -0.826 -13.360 1.00 0.00 C ATOM 311 CE2 TYR A 39 -1.065 -2.819 -14.150 1.00 0.00 C ATOM 312 CZ TYR A 39 -2.232 -2.177 -13.721 1.00 0.00 C ATOM 313 OH TYR A 39 -3.419 -2.875 -13.657 1.00 0.00 O ATOM 0 H TYR A 39 3.275 1.615 -14.260 1.00 0.00 H new ATOM 0 HA TYR A 39 1.121 0.589 -16.008 1.00 0.00 H new ATOM 0 HB2 TYR A 39 2.308 -0.674 -14.129 1.00 0.00 H new ATOM 0 HB3 TYR A 39 1.688 0.500 -12.985 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -0.962 0.927 -13.144 1.00 0.00 H new ATOM 0 HD2 TYR A 39 1.042 -2.606 -14.552 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -3.098 -0.331 -13.031 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -1.094 -3.862 -14.428 1.00 0.00 H new ATOM 0 HH TYR A 39 -3.270 -3.801 -13.942 1.00 0.00 H new ATOM 323 N PHE A 40 0.652 3.128 -14.056 1.00 0.00 N ATOM 324 CA PHE A 40 -0.352 4.172 -13.705 1.00 0.00 C ATOM 325 C PHE A 40 0.050 5.499 -14.349 1.00 0.00 C ATOM 326 O PHE A 40 -0.747 6.405 -14.484 1.00 0.00 O ATOM 327 CB PHE A 40 -0.302 4.278 -12.179 1.00 0.00 C ATOM 328 CG PHE A 40 -1.105 3.158 -11.558 1.00 0.00 C ATOM 329 CD1 PHE A 40 -2.501 3.251 -11.484 1.00 0.00 C ATOM 330 CD2 PHE A 40 -0.453 2.026 -11.051 1.00 0.00 C ATOM 331 CE1 PHE A 40 -3.242 2.215 -10.907 1.00 0.00 C ATOM 332 CE2 PHE A 40 -1.196 0.988 -10.472 1.00 0.00 C ATOM 333 CZ PHE A 40 -2.591 1.083 -10.400 1.00 0.00 C ATOM 0 H PHE A 40 1.600 3.314 -13.730 1.00 0.00 H new ATOM 0 HA PHE A 40 -1.354 3.927 -14.057 1.00 0.00 H new ATOM 0 HB2 PHE A 40 0.732 4.229 -11.836 1.00 0.00 H new ATOM 0 HB3 PHE A 40 -0.699 5.242 -11.860 1.00 0.00 H new ATOM 0 HD1 PHE A 40 -3.005 4.123 -11.873 1.00 0.00 H new ATOM 0 HD2 PHE A 40 0.623 1.953 -11.106 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -4.318 2.288 -10.852 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.693 0.116 -10.082 1.00 0.00 H new ATOM 0 HZ PHE A 40 -3.165 0.284 -9.954 1.00 0.00 H new ATOM 343 N GLY A 41 1.286 5.611 -14.750 1.00 0.00 N ATOM 344 CA GLY A 41 1.756 6.869 -15.394 1.00 0.00 C ATOM 345 C GLY A 41 1.225 6.919 -16.823 1.00 0.00 C ATOM 346 O GLY A 41 1.132 7.969 -17.427 1.00 0.00 O ATOM 0 H GLY A 41 1.994 4.882 -14.659 1.00 0.00 H new ATOM 0 HA2 GLY A 41 1.406 7.734 -14.831 1.00 0.00 H new ATOM 0 HA3 GLY A 41 2.845 6.908 -15.395 1.00 0.00 H new ATOM 350 N GLN A 42 0.871 5.787 -17.366 1.00 0.00 N ATOM 351 CA GLN A 42 0.340 5.764 -18.752 1.00 0.00 C ATOM 352 C GLN A 42 -0.965 6.560 -18.810 1.00 0.00 C ATOM 353 O GLN A 42 -1.278 7.193 -19.798 1.00 0.00 O ATOM 354 CB GLN A 42 0.101 4.287 -19.071 1.00 0.00 C ATOM 355 CG GLN A 42 -0.925 3.714 -18.096 1.00 0.00 C ATOM 356 CD GLN A 42 -1.117 2.223 -18.375 1.00 0.00 C ATOM 357 OE1 GLN A 42 -0.717 1.388 -17.587 1.00 0.00 O ATOM 358 NE2 GLN A 42 -1.716 1.849 -19.472 1.00 0.00 N ATOM 0 H GLN A 42 0.928 4.878 -16.907 1.00 0.00 H new ATOM 0 HA GLN A 42 1.023 6.214 -19.472 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.255 4.178 -20.095 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.037 3.732 -18.998 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -0.589 3.862 -17.070 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -1.874 4.239 -18.200 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.052 2.549 -20.134 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.848 0.857 -19.668 1.00 0.00 H new ATOM 367 N PHE A 43 -1.718 6.548 -17.744 1.00 0.00 N ATOM 368 CA PHE A 43 -2.992 7.319 -17.719 1.00 0.00 C ATOM 369 C PHE A 43 -3.054 8.170 -16.447 1.00 0.00 C ATOM 370 O PHE A 43 -4.020 8.864 -16.200 1.00 0.00 O ATOM 371 CB PHE A 43 -4.113 6.274 -17.731 1.00 0.00 C ATOM 372 CG PHE A 43 -3.959 5.332 -16.559 1.00 0.00 C ATOM 373 CD1 PHE A 43 -4.108 5.804 -15.248 1.00 0.00 C ATOM 374 CD2 PHE A 43 -3.670 3.980 -16.782 1.00 0.00 C ATOM 375 CE1 PHE A 43 -3.965 4.928 -14.167 1.00 0.00 C ATOM 376 CE2 PHE A 43 -3.526 3.103 -15.700 1.00 0.00 C ATOM 377 CZ PHE A 43 -3.674 3.578 -14.392 1.00 0.00 C ATOM 0 H PHE A 43 -1.505 6.036 -16.888 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.080 7.997 -18.568 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -5.083 6.769 -17.684 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -4.087 5.712 -18.665 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.334 6.845 -15.072 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -3.558 3.613 -17.791 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.079 5.294 -13.157 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.301 2.061 -15.875 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.564 2.903 -13.556 1.00 0.00 H new ATOM 387 N GLY A 44 -2.029 8.119 -15.635 1.00 0.00 N ATOM 388 CA GLY A 44 -2.033 8.923 -14.376 1.00 0.00 C ATOM 389 C GLY A 44 -0.621 9.440 -14.085 1.00 0.00 C ATOM 390 O GLY A 44 0.192 8.757 -13.496 1.00 0.00 O ATOM 0 H GLY A 44 -1.192 7.557 -15.789 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.724 9.760 -14.471 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.385 8.312 -13.545 1.00 0.00 H new ATOM 394 N GLU A 45 -0.327 10.645 -14.493 1.00 0.00 N ATOM 395 CA GLU A 45 1.029 11.220 -14.252 1.00 0.00 C ATOM 396 C GLU A 45 1.538 10.846 -12.854 1.00 0.00 C ATOM 397 O GLU A 45 1.040 11.323 -11.853 1.00 0.00 O ATOM 398 CB GLU A 45 0.840 12.733 -14.366 1.00 0.00 C ATOM 399 CG GLU A 45 0.452 13.092 -15.801 1.00 0.00 C ATOM 400 CD GLU A 45 0.528 14.609 -15.989 1.00 0.00 C ATOM 401 OE1 GLU A 45 1.499 15.193 -15.534 1.00 0.00 O ATOM 402 OE2 GLU A 45 -0.383 15.159 -16.583 1.00 0.00 O ATOM 0 H GLU A 45 -0.973 11.261 -14.987 1.00 0.00 H new ATOM 0 HA GLU A 45 1.765 10.841 -14.961 1.00 0.00 H new ATOM 0 HB2 GLU A 45 0.066 13.067 -13.675 1.00 0.00 H new ATOM 0 HB3 GLU A 45 1.760 13.247 -14.087 1.00 0.00 H new ATOM 0 HG2 GLU A 45 1.120 12.594 -16.504 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -0.557 12.739 -16.015 1.00 0.00 H new ATOM 409 N VAL A 46 2.528 9.997 -12.783 1.00 0.00 N ATOM 410 CA VAL A 46 3.070 9.589 -11.452 1.00 0.00 C ATOM 411 C VAL A 46 4.219 10.508 -11.030 1.00 0.00 C ATOM 412 O VAL A 46 5.153 10.738 -11.773 1.00 0.00 O ATOM 413 CB VAL A 46 3.578 8.161 -11.655 1.00 0.00 C ATOM 414 CG1 VAL A 46 4.302 7.693 -10.390 1.00 0.00 C ATOM 415 CG2 VAL A 46 2.393 7.234 -11.936 1.00 0.00 C ATOM 0 H VAL A 46 2.985 9.568 -13.588 1.00 0.00 H new ATOM 0 HA VAL A 46 2.315 9.652 -10.668 1.00 0.00 H new ATOM 0 HB VAL A 46 4.267 8.137 -12.499 1.00 0.00 H new ATOM 0 HG11 VAL A 46 4.664 6.675 -10.534 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.145 8.353 -10.188 1.00 0.00 H new ATOM 0 HG13 VAL A 46 3.612 7.717 -9.546 1.00 0.00 H new ATOM 0 HG21 VAL A 46 2.754 6.216 -12.081 1.00 0.00 H new ATOM 0 HG22 VAL A 46 1.704 7.258 -11.092 1.00 0.00 H new ATOM 0 HG23 VAL A 46 1.876 7.567 -12.836 1.00 0.00 H new ATOM 425 N LYS A 47 4.157 11.028 -9.834 1.00 0.00 N ATOM 426 CA LYS A 47 5.246 11.924 -9.348 1.00 0.00 C ATOM 427 C LYS A 47 6.279 11.103 -8.573 1.00 0.00 C ATOM 428 O LYS A 47 7.460 11.381 -8.597 1.00 0.00 O ATOM 429 CB LYS A 47 4.551 12.923 -8.421 1.00 0.00 C ATOM 430 CG LYS A 47 4.098 14.142 -9.227 1.00 0.00 C ATOM 431 CD LYS A 47 3.940 15.342 -8.291 1.00 0.00 C ATOM 432 CE LYS A 47 2.453 15.598 -8.035 1.00 0.00 C ATOM 433 NZ LYS A 47 2.254 15.299 -6.590 1.00 0.00 N ATOM 0 H LYS A 47 3.398 10.871 -9.171 1.00 0.00 H new ATOM 0 HA LYS A 47 5.772 12.424 -10.161 1.00 0.00 H new ATOM 0 HB2 LYS A 47 3.693 12.453 -7.941 1.00 0.00 H new ATOM 0 HB3 LYS A 47 5.231 13.232 -7.627 1.00 0.00 H new ATOM 0 HG2 LYS A 47 4.827 14.368 -10.006 1.00 0.00 H new ATOM 0 HG3 LYS A 47 3.153 13.930 -9.727 1.00 0.00 H new ATOM 0 HD2 LYS A 47 4.455 15.152 -7.349 1.00 0.00 H new ATOM 0 HD3 LYS A 47 4.401 16.225 -8.734 1.00 0.00 H new ATOM 0 HE2 LYS A 47 2.185 16.629 -8.265 1.00 0.00 H new ATOM 0 HE3 LYS A 47 1.829 14.959 -8.660 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 1.257 15.452 -6.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 2.511 14.309 -6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 2.855 15.927 -6.019 1.00 0.00 H new ATOM 447 N GLU A 48 5.831 10.086 -7.890 1.00 0.00 N ATOM 448 CA GLU A 48 6.765 9.226 -7.107 1.00 0.00 C ATOM 449 C GLU A 48 6.009 8.002 -6.593 1.00 0.00 C ATOM 450 O GLU A 48 4.807 8.035 -6.421 1.00 0.00 O ATOM 451 CB GLU A 48 7.238 10.093 -5.942 1.00 0.00 C ATOM 452 CG GLU A 48 8.420 9.414 -5.246 1.00 0.00 C ATOM 453 CD GLU A 48 9.665 9.515 -6.130 1.00 0.00 C ATOM 454 OE1 GLU A 48 9.509 9.766 -7.314 1.00 0.00 O ATOM 455 OE2 GLU A 48 10.754 9.337 -5.609 1.00 0.00 O ATOM 0 H GLU A 48 4.850 9.811 -7.840 1.00 0.00 H new ATOM 0 HA GLU A 48 7.606 8.870 -7.702 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.533 11.078 -6.304 1.00 0.00 H new ATOM 0 HB3 GLU A 48 6.424 10.244 -5.234 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.607 9.887 -4.282 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.186 8.368 -5.048 1.00 0.00 H new ATOM 462 N CYS A 49 6.693 6.918 -6.355 1.00 0.00 N ATOM 463 CA CYS A 49 5.985 5.702 -5.864 1.00 0.00 C ATOM 464 C CYS A 49 6.906 4.841 -4.994 1.00 0.00 C ATOM 465 O CYS A 49 8.115 4.893 -5.108 1.00 0.00 O ATOM 466 CB CYS A 49 5.590 4.949 -7.136 1.00 0.00 C ATOM 467 SG CYS A 49 7.056 4.180 -7.874 1.00 0.00 S ATOM 0 H CYS A 49 7.701 6.821 -6.477 1.00 0.00 H new ATOM 0 HA CYS A 49 5.126 5.952 -5.241 1.00 0.00 H new ATOM 0 HB2 CYS A 49 4.847 4.187 -6.902 1.00 0.00 H new ATOM 0 HB3 CYS A 49 5.130 5.635 -7.848 1.00 0.00 H new ATOM 0 HG CYS A 49 8.080 4.359 -7.093 1.00 0.00 H new ATOM 473 N LEU A 50 6.337 4.030 -4.145 1.00 0.00 N ATOM 474 CA LEU A 50 7.166 3.142 -3.287 1.00 0.00 C ATOM 475 C LEU A 50 6.625 1.714 -3.381 1.00 0.00 C ATOM 476 O LEU A 50 5.469 1.464 -3.139 1.00 0.00 O ATOM 477 CB LEU A 50 7.060 3.730 -1.867 1.00 0.00 C ATOM 478 CG LEU A 50 6.214 2.845 -0.940 1.00 0.00 C ATOM 479 CD1 LEU A 50 6.969 1.554 -0.627 1.00 0.00 C ATOM 480 CD2 LEU A 50 5.945 3.606 0.358 1.00 0.00 C ATOM 0 H LEU A 50 5.330 3.945 -4.009 1.00 0.00 H new ATOM 0 HA LEU A 50 8.212 3.094 -3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 50 8.059 3.845 -1.446 1.00 0.00 H new ATOM 0 HB3 LEU A 50 6.620 4.726 -1.919 1.00 0.00 H new ATOM 0 HG LEU A 50 5.272 2.596 -1.428 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.365 0.930 0.031 1.00 0.00 H new ATOM 0 HD12 LEU A 50 7.170 1.016 -1.554 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.911 1.794 -0.135 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.345 2.987 1.025 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.892 3.847 0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.407 4.527 0.135 1.00 0.00 H new ATOM 492 N VAL A 51 7.439 0.772 -3.746 1.00 0.00 N ATOM 493 CA VAL A 51 6.919 -0.620 -3.868 1.00 0.00 C ATOM 494 C VAL A 51 7.515 -1.549 -2.814 1.00 0.00 C ATOM 495 O VAL A 51 8.682 -1.475 -2.482 1.00 0.00 O ATOM 496 CB VAL A 51 7.338 -1.090 -5.257 1.00 0.00 C ATOM 497 CG1 VAL A 51 6.945 -2.560 -5.425 1.00 0.00 C ATOM 498 CG2 VAL A 51 6.629 -0.246 -6.320 1.00 0.00 C ATOM 0 H VAL A 51 8.428 0.897 -3.963 1.00 0.00 H new ATOM 0 HA VAL A 51 5.839 -0.638 -3.721 1.00 0.00 H new ATOM 0 HB VAL A 51 8.416 -0.981 -5.373 1.00 0.00 H new ATOM 0 HG11 VAL A 51 7.241 -2.905 -6.416 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.448 -3.160 -4.667 1.00 0.00 H new ATOM 0 HG13 VAL A 51 5.866 -2.663 -5.312 1.00 0.00 H new ATOM 0 HG21 VAL A 51 6.929 -0.583 -7.312 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.550 -0.355 -6.211 1.00 0.00 H new ATOM 0 HG23 VAL A 51 6.902 0.802 -6.195 1.00 0.00 H new ATOM 508 N MET A 52 6.716 -2.449 -2.316 1.00 0.00 N ATOM 509 CA MET A 52 7.209 -3.425 -1.317 1.00 0.00 C ATOM 510 C MET A 52 6.677 -4.811 -1.685 1.00 0.00 C ATOM 511 O MET A 52 5.526 -4.973 -2.055 1.00 0.00 O ATOM 512 CB MET A 52 6.671 -2.942 0.035 1.00 0.00 C ATOM 513 CG MET A 52 6.177 -4.127 0.871 1.00 0.00 C ATOM 514 SD MET A 52 5.544 -3.536 2.461 1.00 0.00 S ATOM 515 CE MET A 52 6.835 -2.313 2.793 1.00 0.00 C ATOM 0 H MET A 52 5.732 -2.548 -2.564 1.00 0.00 H new ATOM 0 HA MET A 52 8.296 -3.496 -1.282 1.00 0.00 H new ATOM 0 HB2 MET A 52 7.454 -2.410 0.575 1.00 0.00 H new ATOM 0 HB3 MET A 52 5.856 -2.236 -0.123 1.00 0.00 H new ATOM 0 HG2 MET A 52 5.394 -4.661 0.333 1.00 0.00 H new ATOM 0 HG3 MET A 52 6.991 -4.833 1.033 1.00 0.00 H new ATOM 0 HE1 MET A 52 6.737 -1.950 3.816 1.00 0.00 H new ATOM 0 HE2 MET A 52 7.814 -2.773 2.663 1.00 0.00 H new ATOM 0 HE3 MET A 52 6.732 -1.478 2.100 1.00 0.00 H new ATOM 525 N ARG A 53 7.511 -5.801 -1.579 1.00 0.00 N ATOM 526 CA ARG A 53 7.088 -7.180 -1.918 1.00 0.00 C ATOM 527 C ARG A 53 7.806 -8.194 -1.025 1.00 0.00 C ATOM 528 O ARG A 53 7.248 -9.209 -0.660 1.00 0.00 O ATOM 529 CB ARG A 53 7.483 -7.375 -3.382 1.00 0.00 C ATOM 530 CG ARG A 53 7.400 -8.860 -3.741 1.00 0.00 C ATOM 531 CD ARG A 53 8.790 -9.490 -3.638 1.00 0.00 C ATOM 532 NE ARG A 53 9.463 -9.147 -4.921 1.00 0.00 N ATOM 533 CZ ARG A 53 10.732 -9.412 -5.081 1.00 0.00 C ATOM 534 NH1 ARG A 53 11.296 -10.347 -4.367 1.00 0.00 N ATOM 535 NH2 ARG A 53 11.435 -8.743 -5.953 1.00 0.00 N ATOM 0 H ARG A 53 8.478 -5.712 -1.268 1.00 0.00 H new ATOM 0 HA ARG A 53 6.019 -7.328 -1.765 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.822 -6.797 -4.028 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.495 -7.006 -3.549 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.708 -9.369 -3.070 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.009 -8.979 -4.752 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.341 -9.094 -2.785 1.00 0.00 H new ATOM 0 HD3 ARG A 53 8.725 -10.570 -3.502 1.00 0.00 H new ATOM 0 HE ARG A 53 8.934 -8.706 -5.674 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.746 -10.870 -3.685 1.00 0.00 H new ATOM 0 HH12 ARG A 53 12.287 -10.555 -4.491 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.994 -8.012 -6.511 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.426 -8.951 -6.077 1.00 0.00 H new ATOM 549 N ASP A 54 9.036 -7.933 -0.662 1.00 0.00 N ATOM 550 CA ASP A 54 9.761 -8.893 0.218 1.00 0.00 C ATOM 551 C ASP A 54 11.001 -8.253 0.871 1.00 0.00 C ATOM 552 O ASP A 54 12.074 -8.820 0.803 1.00 0.00 O ATOM 553 CB ASP A 54 10.185 -10.026 -0.716 1.00 0.00 C ATOM 554 CG ASP A 54 10.810 -11.158 0.104 1.00 0.00 C ATOM 555 OD1 ASP A 54 11.139 -10.917 1.253 1.00 0.00 O ATOM 556 OD2 ASP A 54 10.948 -12.244 -0.433 1.00 0.00 O ATOM 0 H ASP A 54 9.564 -7.104 -0.935 1.00 0.00 H new ATOM 0 HA ASP A 54 9.130 -9.230 1.041 1.00 0.00 H new ATOM 0 HB2 ASP A 54 9.322 -10.397 -1.269 1.00 0.00 H new ATOM 0 HB3 ASP A 54 10.901 -9.657 -1.451 1.00 0.00 H new ATOM 561 N PRO A 55 10.836 -7.108 1.507 1.00 0.00 N ATOM 562 CA PRO A 55 11.986 -6.454 2.177 1.00 0.00 C ATOM 563 C PRO A 55 12.364 -7.251 3.428 1.00 0.00 C ATOM 564 O PRO A 55 13.405 -7.873 3.498 1.00 0.00 O ATOM 565 CB PRO A 55 11.415 -5.088 2.572 1.00 0.00 C ATOM 566 CG PRO A 55 9.944 -5.024 2.126 1.00 0.00 C ATOM 567 CD PRO A 55 9.534 -6.402 1.592 1.00 0.00 C ATOM 0 HA PRO A 55 12.881 -6.384 1.558 1.00 0.00 H new ATOM 0 HB2 PRO A 55 11.490 -4.944 3.650 1.00 0.00 H new ATOM 0 HB3 PRO A 55 11.988 -4.288 2.103 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.307 -4.738 2.963 1.00 0.00 H new ATOM 0 HG3 PRO A 55 9.816 -4.266 1.354 1.00 0.00 H new ATOM 0 HD2 PRO A 55 8.840 -6.908 2.263 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.045 -6.333 0.620 1.00 0.00 H new ATOM 575 N LEU A 56 11.506 -7.232 4.414 1.00 0.00 N ATOM 576 CA LEU A 56 11.768 -7.973 5.666 1.00 0.00 C ATOM 577 C LEU A 56 10.464 -8.605 6.154 1.00 0.00 C ATOM 578 O LEU A 56 10.333 -9.810 6.242 1.00 0.00 O ATOM 579 CB LEU A 56 12.240 -6.919 6.667 1.00 0.00 C ATOM 580 CG LEU A 56 13.172 -5.920 5.982 1.00 0.00 C ATOM 581 CD1 LEU A 56 13.482 -4.772 6.944 1.00 0.00 C ATOM 582 CD2 LEU A 56 14.474 -6.621 5.588 1.00 0.00 C ATOM 0 H LEU A 56 10.622 -6.723 4.397 1.00 0.00 H new ATOM 0 HA LEU A 56 12.504 -8.766 5.536 1.00 0.00 H new ATOM 0 HB2 LEU A 56 11.381 -6.396 7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 56 12.758 -7.401 7.496 1.00 0.00 H new ATOM 0 HG LEU A 56 12.688 -5.526 5.088 1.00 0.00 H new ATOM 0 HD11 LEU A 56 14.147 -4.059 6.457 1.00 0.00 H new ATOM 0 HD12 LEU A 56 12.555 -4.272 7.224 1.00 0.00 H new ATOM 0 HD13 LEU A 56 13.966 -5.167 7.838 1.00 0.00 H new ATOM 0 HD21 LEU A 56 15.138 -5.908 5.100 1.00 0.00 H new ATOM 0 HD22 LEU A 56 14.959 -7.016 6.481 1.00 0.00 H new ATOM 0 HD23 LEU A 56 14.254 -7.439 4.903 1.00 0.00 H new ATOM 594 N THR A 57 9.497 -7.786 6.468 1.00 0.00 N ATOM 595 CA THR A 57 8.186 -8.313 6.953 1.00 0.00 C ATOM 596 C THR A 57 7.022 -7.509 6.355 1.00 0.00 C ATOM 597 O THR A 57 5.935 -8.020 6.174 1.00 0.00 O ATOM 598 CB THR A 57 8.227 -8.143 8.473 1.00 0.00 C ATOM 599 OG1 THR A 57 6.974 -8.526 9.024 1.00 0.00 O ATOM 600 CG2 THR A 57 8.512 -6.681 8.819 1.00 0.00 C ATOM 0 H THR A 57 9.558 -6.769 6.410 1.00 0.00 H new ATOM 0 HA THR A 57 8.032 -9.351 6.659 1.00 0.00 H new ATOM 0 HB THR A 57 9.015 -8.771 8.887 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.999 -8.419 9.998 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.541 -6.562 9.902 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.473 -6.388 8.396 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.726 -6.049 8.406 1.00 0.00 H new ATOM 608 N LYS A 58 7.239 -6.258 6.049 1.00 0.00 N ATOM 609 CA LYS A 58 6.147 -5.426 5.466 1.00 0.00 C ATOM 610 C LYS A 58 5.585 -6.110 4.222 1.00 0.00 C ATOM 611 O LYS A 58 4.400 -6.079 3.960 1.00 0.00 O ATOM 612 CB LYS A 58 6.804 -4.093 5.097 1.00 0.00 C ATOM 613 CG LYS A 58 7.810 -3.695 6.179 1.00 0.00 C ATOM 614 CD LYS A 58 8.093 -2.211 6.091 1.00 0.00 C ATOM 615 CE LYS A 58 9.077 -1.962 4.953 1.00 0.00 C ATOM 616 NZ LYS A 58 10.198 -1.201 5.573 1.00 0.00 N ATOM 0 H LYS A 58 8.128 -5.775 6.178 1.00 0.00 H new ATOM 0 HA LYS A 58 5.319 -5.285 6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 58 7.307 -4.179 4.134 1.00 0.00 H new ATOM 0 HB3 LYS A 58 6.044 -3.319 4.992 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.415 -3.942 7.165 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.734 -4.259 6.055 1.00 0.00 H new ATOM 0 HD2 LYS A 58 7.168 -1.661 5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.506 -1.850 7.033 1.00 0.00 H new ATOM 0 HE2 LYS A 58 9.427 -2.900 4.522 1.00 0.00 H new ATOM 0 HE3 LYS A 58 8.613 -1.394 4.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 10.917 -0.992 4.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 9.836 -0.310 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 10.625 -1.769 6.332 1.00 0.00 H new ATOM 630 N ARG A 59 6.440 -6.726 3.455 1.00 0.00 N ATOM 631 CA ARG A 59 5.981 -7.427 2.213 1.00 0.00 C ATOM 632 C ARG A 59 4.644 -8.137 2.440 1.00 0.00 C ATOM 633 O ARG A 59 3.900 -8.379 1.511 1.00 0.00 O ATOM 634 CB ARG A 59 7.064 -8.460 1.873 1.00 0.00 C ATOM 635 CG ARG A 59 7.678 -9.066 3.143 1.00 0.00 C ATOM 636 CD ARG A 59 6.655 -9.969 3.830 1.00 0.00 C ATOM 637 NE ARG A 59 7.396 -11.229 4.120 1.00 0.00 N ATOM 638 CZ ARG A 59 6.765 -12.258 4.616 1.00 0.00 C ATOM 639 NH1 ARG A 59 6.097 -13.053 3.827 1.00 0.00 N ATOM 640 NH2 ARG A 59 6.801 -12.492 5.900 1.00 0.00 N ATOM 0 H ARG A 59 7.443 -6.777 3.632 1.00 0.00 H new ATOM 0 HA ARG A 59 5.833 -6.711 1.404 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.634 -9.253 1.261 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.846 -7.987 1.279 1.00 0.00 H new ATOM 0 HG2 ARG A 59 8.570 -9.638 2.890 1.00 0.00 H new ATOM 0 HG3 ARG A 59 7.991 -8.272 3.822 1.00 0.00 H new ATOM 0 HD2 ARG A 59 6.276 -9.513 4.745 1.00 0.00 H new ATOM 0 HD3 ARG A 59 5.795 -10.155 3.186 1.00 0.00 H new ATOM 0 HE ARG A 59 8.397 -11.287 3.931 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.068 -12.870 2.824 1.00 0.00 H new ATOM 0 HH12 ARG A 59 5.603 -13.858 4.213 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.323 -11.870 6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.307 -13.297 6.286 1.00 0.00 H new ATOM 654 N SER A 60 4.337 -8.478 3.662 1.00 0.00 N ATOM 655 CA SER A 60 3.055 -9.179 3.952 1.00 0.00 C ATOM 656 C SER A 60 1.918 -8.624 3.089 1.00 0.00 C ATOM 657 O SER A 60 0.960 -9.312 2.797 1.00 0.00 O ATOM 658 CB SER A 60 2.786 -8.875 5.421 1.00 0.00 C ATOM 659 OG SER A 60 2.001 -9.915 5.986 1.00 0.00 O ATOM 0 H SER A 60 4.924 -8.299 4.477 1.00 0.00 H new ATOM 0 HA SER A 60 3.115 -10.246 3.739 1.00 0.00 H new ATOM 0 HB2 SER A 60 3.728 -8.781 5.962 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.267 -7.921 5.516 1.00 0.00 H new ATOM 0 HG SER A 60 1.830 -9.719 6.931 1.00 0.00 H new ATOM 665 N ARG A 61 2.007 -7.389 2.684 1.00 0.00 N ATOM 666 CA ARG A 61 0.921 -6.807 1.849 1.00 0.00 C ATOM 667 C ARG A 61 1.300 -6.830 0.364 1.00 0.00 C ATOM 668 O ARG A 61 0.451 -6.979 -0.493 1.00 0.00 O ATOM 669 CB ARG A 61 0.766 -5.369 2.340 1.00 0.00 C ATOM 670 CG ARG A 61 -0.013 -5.358 3.656 1.00 0.00 C ATOM 671 CD ARG A 61 -1.197 -4.395 3.537 1.00 0.00 C ATOM 672 NE ARG A 61 -1.729 -4.266 4.921 1.00 0.00 N ATOM 673 CZ ARG A 61 -1.776 -3.095 5.494 1.00 0.00 C ATOM 674 NH1 ARG A 61 -2.758 -2.278 5.230 1.00 0.00 N ATOM 675 NH2 ARG A 61 -0.840 -2.741 6.332 1.00 0.00 N ATOM 0 H ARG A 61 2.782 -6.759 2.894 1.00 0.00 H new ATOM 0 HA ARG A 61 -0.006 -7.374 1.940 1.00 0.00 H new ATOM 0 HB2 ARG A 61 1.747 -4.915 2.482 1.00 0.00 H new ATOM 0 HB3 ARG A 61 0.244 -4.773 1.592 1.00 0.00 H new ATOM 0 HG2 ARG A 61 -0.368 -6.362 3.890 1.00 0.00 H new ATOM 0 HG3 ARG A 61 0.638 -5.052 4.475 1.00 0.00 H new ATOM 0 HD2 ARG A 61 -0.882 -3.429 3.144 1.00 0.00 H new ATOM 0 HD3 ARG A 61 -1.955 -4.784 2.857 1.00 0.00 H new ATOM 0 HE ARG A 61 -2.057 -5.092 5.421 1.00 0.00 H new ATOM 0 HH11 ARG A 61 -3.490 -2.555 4.575 1.00 0.00 H new ATOM 0 HH12 ARG A 61 -2.794 -1.363 5.678 1.00 0.00 H new ATOM 0 HH21 ARG A 61 -0.072 -3.380 6.539 1.00 0.00 H new ATOM 0 HH22 ARG A 61 -0.876 -1.825 6.780 1.00 0.00 H new ATOM 689 N GLY A 62 2.557 -6.670 0.041 1.00 0.00 N ATOM 690 CA GLY A 62 2.946 -6.669 -1.396 1.00 0.00 C ATOM 691 C GLY A 62 2.139 -5.583 -2.097 1.00 0.00 C ATOM 692 O GLY A 62 1.159 -5.855 -2.763 1.00 0.00 O ATOM 0 H GLY A 62 3.322 -6.541 0.703 1.00 0.00 H new ATOM 0 HA2 GLY A 62 4.014 -6.480 -1.502 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.748 -7.642 -1.846 1.00 0.00 H new ATOM 696 N PHE A 63 2.528 -4.351 -1.933 1.00 0.00 N ATOM 697 CA PHE A 63 1.753 -3.246 -2.574 1.00 0.00 C ATOM 698 C PHE A 63 2.677 -2.238 -3.254 1.00 0.00 C ATOM 699 O PHE A 63 3.855 -2.474 -3.433 1.00 0.00 O ATOM 700 CB PHE A 63 0.993 -2.572 -1.430 1.00 0.00 C ATOM 701 CG PHE A 63 1.964 -2.044 -0.400 1.00 0.00 C ATOM 702 CD1 PHE A 63 2.732 -0.906 -0.678 1.00 0.00 C ATOM 703 CD2 PHE A 63 2.088 -2.685 0.836 1.00 0.00 C ATOM 704 CE1 PHE A 63 3.623 -0.412 0.281 1.00 0.00 C ATOM 705 CE2 PHE A 63 2.978 -2.191 1.796 1.00 0.00 C ATOM 706 CZ PHE A 63 3.746 -1.054 1.518 1.00 0.00 C ATOM 0 H PHE A 63 3.340 -4.060 -1.389 1.00 0.00 H new ATOM 0 HA PHE A 63 1.089 -3.629 -3.349 1.00 0.00 H new ATOM 0 HB2 PHE A 63 0.384 -1.756 -1.819 1.00 0.00 H new ATOM 0 HB3 PHE A 63 0.311 -3.285 -0.966 1.00 0.00 H new ATOM 0 HD1 PHE A 63 2.636 -0.410 -1.633 1.00 0.00 H new ATOM 0 HD2 PHE A 63 1.496 -3.563 1.050 1.00 0.00 H new ATOM 0 HE1 PHE A 63 4.216 0.465 0.066 1.00 0.00 H new ATOM 0 HE2 PHE A 63 3.072 -2.687 2.751 1.00 0.00 H new ATOM 0 HZ PHE A 63 4.433 -0.672 2.258 1.00 0.00 H new ATOM 716 N GLY A 64 2.138 -1.112 -3.633 1.00 0.00 N ATOM 717 CA GLY A 64 2.968 -0.077 -4.304 1.00 0.00 C ATOM 718 C GLY A 64 2.295 1.293 -4.172 1.00 0.00 C ATOM 719 O GLY A 64 1.219 1.522 -4.684 1.00 0.00 O ATOM 0 H GLY A 64 1.156 -0.865 -3.506 1.00 0.00 H new ATOM 0 HA2 GLY A 64 3.962 -0.049 -3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 64 3.099 -0.328 -5.357 1.00 0.00 H new ATOM 723 N PHE A 65 2.937 2.206 -3.501 1.00 0.00 N ATOM 724 CA PHE A 65 2.366 3.569 -3.339 1.00 0.00 C ATOM 725 C PHE A 65 2.694 4.390 -4.577 1.00 0.00 C ATOM 726 O PHE A 65 3.765 4.278 -5.134 1.00 0.00 O ATOM 727 CB PHE A 65 3.084 4.146 -2.124 1.00 0.00 C ATOM 728 CG PHE A 65 2.347 3.771 -0.862 1.00 0.00 C ATOM 729 CD1 PHE A 65 1.057 4.264 -0.620 1.00 0.00 C ATOM 730 CD2 PHE A 65 2.962 2.933 0.076 1.00 0.00 C ATOM 731 CE1 PHE A 65 0.390 3.917 0.560 1.00 0.00 C ATOM 732 CE2 PHE A 65 2.294 2.589 1.253 1.00 0.00 C ATOM 733 CZ PHE A 65 1.011 3.081 1.496 1.00 0.00 C ATOM 0 H PHE A 65 3.842 2.064 -3.053 1.00 0.00 H new ATOM 0 HA PHE A 65 1.283 3.568 -3.212 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.106 3.770 -2.083 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.146 5.231 -2.210 1.00 0.00 H new ATOM 0 HD1 PHE A 65 0.580 4.910 -1.342 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.955 2.552 -0.111 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -0.604 4.294 0.749 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.770 1.942 1.975 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.496 2.816 2.408 1.00 0.00 H new ATOM 743 N VAL A 66 1.786 5.197 -5.033 1.00 0.00 N ATOM 744 CA VAL A 66 2.069 5.993 -6.256 1.00 0.00 C ATOM 745 C VAL A 66 1.358 7.347 -6.183 1.00 0.00 C ATOM 746 O VAL A 66 0.177 7.459 -6.446 1.00 0.00 O ATOM 747 CB VAL A 66 1.525 5.132 -7.403 1.00 0.00 C ATOM 748 CG1 VAL A 66 2.146 5.590 -8.723 1.00 0.00 C ATOM 749 CG2 VAL A 66 1.886 3.656 -7.151 1.00 0.00 C ATOM 0 H VAL A 66 0.866 5.341 -4.617 1.00 0.00 H new ATOM 0 HA VAL A 66 3.128 6.216 -6.385 1.00 0.00 H new ATOM 0 HB VAL A 66 0.441 5.238 -7.455 1.00 0.00 H new ATOM 0 HG11 VAL A 66 1.760 4.978 -9.538 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.892 6.635 -8.901 1.00 0.00 H new ATOM 0 HG13 VAL A 66 3.230 5.484 -8.672 1.00 0.00 H new ATOM 0 HG21 VAL A 66 1.500 3.043 -7.965 1.00 0.00 H new ATOM 0 HG22 VAL A 66 2.970 3.550 -7.099 1.00 0.00 H new ATOM 0 HG23 VAL A 66 1.444 3.329 -6.210 1.00 0.00 H new ATOM 759 N THR A 67 2.072 8.377 -5.814 1.00 0.00 N ATOM 760 CA THR A 67 1.447 9.727 -5.707 1.00 0.00 C ATOM 761 C THR A 67 1.340 10.385 -7.084 1.00 0.00 C ATOM 762 O THR A 67 1.947 11.405 -7.342 1.00 0.00 O ATOM 763 CB THR A 67 2.390 10.525 -4.808 1.00 0.00 C ATOM 764 OG1 THR A 67 1.891 11.846 -4.654 1.00 0.00 O ATOM 765 CG2 THR A 67 3.780 10.573 -5.443 1.00 0.00 C ATOM 0 H THR A 67 3.064 8.341 -5.581 1.00 0.00 H new ATOM 0 HA THR A 67 0.435 9.677 -5.305 1.00 0.00 H new ATOM 0 HB THR A 67 2.455 10.046 -3.831 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.783 12.260 -5.536 1.00 0.00 H new ATOM 0 HG21 THR A 67 4.453 11.142 -4.802 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.162 9.559 -5.560 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.717 11.052 -6.420 1.00 0.00 H new ATOM 773 N PHE A 68 0.573 9.814 -7.969 1.00 0.00 N ATOM 774 CA PHE A 68 0.430 10.417 -9.326 1.00 0.00 C ATOM 775 C PHE A 68 -0.641 11.512 -9.323 1.00 0.00 C ATOM 776 O PHE A 68 -0.876 12.160 -8.322 1.00 0.00 O ATOM 777 CB PHE A 68 0.035 9.259 -10.251 1.00 0.00 C ATOM 778 CG PHE A 68 -1.320 8.688 -9.883 1.00 0.00 C ATOM 779 CD1 PHE A 68 -2.000 9.098 -8.724 1.00 0.00 C ATOM 780 CD2 PHE A 68 -1.893 7.723 -10.719 1.00 0.00 C ATOM 781 CE1 PHE A 68 -3.248 8.542 -8.412 1.00 0.00 C ATOM 782 CE2 PHE A 68 -3.137 7.169 -10.404 1.00 0.00 C ATOM 783 CZ PHE A 68 -3.815 7.578 -9.251 1.00 0.00 C ATOM 0 H PHE A 68 0.040 8.958 -7.814 1.00 0.00 H new ATOM 0 HA PHE A 68 1.353 10.893 -9.657 1.00 0.00 H new ATOM 0 HB2 PHE A 68 0.015 9.608 -11.283 1.00 0.00 H new ATOM 0 HB3 PHE A 68 0.789 8.474 -10.194 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -1.561 9.841 -8.074 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -1.372 7.405 -11.610 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -3.772 8.859 -7.522 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -3.575 6.424 -11.052 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.776 7.149 -9.009 1.00 0.00 H new ATOM 793 N MET A 69 -1.287 11.728 -10.436 1.00 0.00 N ATOM 794 CA MET A 69 -2.336 12.786 -10.496 1.00 0.00 C ATOM 795 C MET A 69 -3.599 12.332 -9.758 1.00 0.00 C ATOM 796 O MET A 69 -3.707 11.201 -9.328 1.00 0.00 O ATOM 797 CB MET A 69 -2.622 12.974 -11.987 1.00 0.00 C ATOM 798 CG MET A 69 -2.297 14.413 -12.392 1.00 0.00 C ATOM 799 SD MET A 69 -3.396 14.922 -13.738 1.00 0.00 S ATOM 800 CE MET A 69 -3.309 16.705 -13.439 1.00 0.00 C ATOM 0 H MET A 69 -1.134 11.218 -11.306 1.00 0.00 H new ATOM 0 HA MET A 69 -2.013 13.712 -10.021 1.00 0.00 H new ATOM 0 HB2 MET A 69 -2.024 12.276 -12.573 1.00 0.00 H new ATOM 0 HB3 MET A 69 -3.668 12.753 -12.198 1.00 0.00 H new ATOM 0 HG2 MET A 69 -2.418 15.079 -11.538 1.00 0.00 H new ATOM 0 HG3 MET A 69 -1.257 14.487 -12.709 1.00 0.00 H new ATOM 0 HE1 MET A 69 -3.926 17.227 -14.170 1.00 0.00 H new ATOM 0 HE2 MET A 69 -3.672 16.924 -12.435 1.00 0.00 H new ATOM 0 HE3 MET A 69 -2.276 17.039 -13.532 1.00 0.00 H new ATOM 810 N ASP A 70 -4.555 13.210 -9.607 1.00 0.00 N ATOM 811 CA ASP A 70 -5.811 12.833 -8.896 1.00 0.00 C ATOM 812 C ASP A 70 -7.032 13.218 -9.736 1.00 0.00 C ATOM 813 O ASP A 70 -8.161 13.039 -9.325 1.00 0.00 O ATOM 814 CB ASP A 70 -5.785 13.638 -7.596 1.00 0.00 C ATOM 815 CG ASP A 70 -5.247 12.762 -6.462 1.00 0.00 C ATOM 816 OD1 ASP A 70 -5.934 11.827 -6.086 1.00 0.00 O ATOM 817 OD2 ASP A 70 -4.158 13.042 -5.991 1.00 0.00 O ATOM 0 H ASP A 70 -4.520 14.172 -9.945 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.875 11.760 -8.714 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.158 14.522 -7.716 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.788 13.989 -7.354 1.00 0.00 H new ATOM 822 N GLN A 71 -6.815 13.749 -10.907 1.00 0.00 N ATOM 823 CA GLN A 71 -7.966 14.147 -11.768 1.00 0.00 C ATOM 824 C GLN A 71 -8.521 12.921 -12.509 1.00 0.00 C ATOM 825 O GLN A 71 -9.019 11.996 -11.898 1.00 0.00 O ATOM 826 CB GLN A 71 -7.389 15.174 -12.744 1.00 0.00 C ATOM 827 CG GLN A 71 -7.119 16.488 -12.005 1.00 0.00 C ATOM 828 CD GLN A 71 -7.332 17.665 -12.959 1.00 0.00 C ATOM 829 OE1 GLN A 71 -6.618 17.811 -13.931 1.00 0.00 O ATOM 830 NE2 GLN A 71 -8.292 18.516 -12.722 1.00 0.00 N ATOM 0 H GLN A 71 -5.893 13.925 -11.305 1.00 0.00 H new ATOM 0 HA GLN A 71 -8.796 14.562 -11.196 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -6.466 14.795 -13.183 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -8.086 15.343 -13.565 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -7.784 16.578 -11.146 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -6.099 16.498 -11.621 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -8.892 18.394 -11.906 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -8.443 19.303 -13.353 1.00 0.00 H new ATOM 839 N ALA A 72 -8.446 12.899 -13.815 1.00 0.00 N ATOM 840 CA ALA A 72 -8.976 11.728 -14.570 1.00 0.00 C ATOM 841 C ALA A 72 -8.119 10.490 -14.294 1.00 0.00 C ATOM 842 O ALA A 72 -8.571 9.368 -14.417 1.00 0.00 O ATOM 843 CB ALA A 72 -8.881 12.131 -16.040 1.00 0.00 C ATOM 0 H ALA A 72 -8.042 13.640 -14.388 1.00 0.00 H new ATOM 0 HA ALA A 72 -9.997 11.477 -14.282 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -9.254 11.319 -16.665 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -9.480 13.025 -16.212 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -7.841 12.337 -16.294 1.00 0.00 H new ATOM 849 N GLY A 73 -6.884 10.684 -13.918 1.00 0.00 N ATOM 850 CA GLY A 73 -6.002 9.518 -13.634 1.00 0.00 C ATOM 851 C GLY A 73 -6.753 8.516 -12.759 1.00 0.00 C ATOM 852 O GLY A 73 -6.978 7.387 -13.143 1.00 0.00 O ATOM 0 H GLY A 73 -6.449 11.598 -13.796 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -5.695 9.045 -14.567 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -5.094 9.849 -13.130 1.00 0.00 H new ATOM 856 N VAL A 74 -7.147 8.921 -11.582 1.00 0.00 N ATOM 857 CA VAL A 74 -7.886 7.990 -10.681 1.00 0.00 C ATOM 858 C VAL A 74 -8.934 7.207 -11.475 1.00 0.00 C ATOM 859 O VAL A 74 -9.033 6.001 -11.370 1.00 0.00 O ATOM 860 CB VAL A 74 -8.557 8.890 -9.646 1.00 0.00 C ATOM 861 CG1 VAL A 74 -9.475 8.051 -8.756 1.00 0.00 C ATOM 862 CG2 VAL A 74 -7.486 9.558 -8.783 1.00 0.00 C ATOM 0 H VAL A 74 -6.989 9.856 -11.205 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.228 7.256 -10.216 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.144 9.653 -10.156 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -9.953 8.694 -8.018 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -10.239 7.573 -9.369 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -8.888 7.287 -8.246 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -7.963 10.201 -8.044 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -6.899 8.793 -8.274 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -6.831 10.157 -9.415 1.00 0.00 H new ATOM 872 N ASP A 75 -9.721 7.878 -12.268 1.00 0.00 N ATOM 873 CA ASP A 75 -10.758 7.162 -13.063 1.00 0.00 C ATOM 874 C ASP A 75 -10.142 5.948 -13.761 1.00 0.00 C ATOM 875 O ASP A 75 -10.579 4.827 -13.588 1.00 0.00 O ATOM 876 CB ASP A 75 -11.248 8.181 -14.093 1.00 0.00 C ATOM 877 CG ASP A 75 -12.386 7.569 -14.912 1.00 0.00 C ATOM 878 OD1 ASP A 75 -13.345 7.113 -14.310 1.00 0.00 O ATOM 879 OD2 ASP A 75 -12.280 7.567 -16.128 1.00 0.00 O ATOM 0 H ASP A 75 -9.692 8.889 -12.400 1.00 0.00 H new ATOM 0 HA ASP A 75 -11.572 6.793 -12.439 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -11.592 9.085 -13.591 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -10.429 8.473 -14.750 1.00 0.00 H new ATOM 884 N LYS A 76 -9.129 6.167 -14.550 1.00 0.00 N ATOM 885 CA LYS A 76 -8.480 5.030 -15.264 1.00 0.00 C ATOM 886 C LYS A 76 -7.942 4.013 -14.256 1.00 0.00 C ATOM 887 O LYS A 76 -7.892 2.828 -14.523 1.00 0.00 O ATOM 888 CB LYS A 76 -7.335 5.658 -16.058 1.00 0.00 C ATOM 889 CG LYS A 76 -7.841 6.081 -17.438 1.00 0.00 C ATOM 890 CD LYS A 76 -7.616 7.582 -17.625 1.00 0.00 C ATOM 891 CE LYS A 76 -8.935 8.250 -18.023 1.00 0.00 C ATOM 892 NZ LYS A 76 -8.572 9.218 -19.096 1.00 0.00 N ATOM 0 H LYS A 76 -8.721 7.084 -14.733 1.00 0.00 H new ATOM 0 HA LYS A 76 -9.177 4.498 -15.911 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -6.939 6.522 -15.524 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -6.517 4.945 -16.162 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -7.318 5.524 -18.215 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -8.901 5.846 -17.536 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -7.237 8.022 -16.702 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -6.862 7.755 -18.393 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.656 7.516 -18.382 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.392 8.757 -17.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -9.427 9.715 -19.419 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -7.890 9.909 -18.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -8.146 8.707 -19.895 1.00 0.00 H new ATOM 906 N VAL A 77 -7.546 4.460 -13.096 1.00 0.00 N ATOM 907 CA VAL A 77 -7.025 3.519 -12.077 1.00 0.00 C ATOM 908 C VAL A 77 -8.132 2.545 -11.677 1.00 0.00 C ATOM 909 O VAL A 77 -7.999 1.346 -11.820 1.00 0.00 O ATOM 910 CB VAL A 77 -6.621 4.410 -10.912 1.00 0.00 C ATOM 911 CG1 VAL A 77 -5.964 3.568 -9.834 1.00 0.00 C ATOM 912 CG2 VAL A 77 -5.613 5.443 -11.401 1.00 0.00 C ATOM 0 H VAL A 77 -7.563 5.440 -12.814 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.187 2.916 -12.428 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.506 4.904 -10.510 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.675 4.207 -8.999 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.666 2.811 -9.485 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.078 3.081 -10.242 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.319 6.085 -10.571 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.733 4.935 -11.796 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.065 6.049 -12.186 1.00 0.00 H new ATOM 922 N LEU A 78 -9.234 3.053 -11.195 1.00 0.00 N ATOM 923 CA LEU A 78 -10.353 2.154 -10.813 1.00 0.00 C ATOM 924 C LEU A 78 -10.568 1.129 -11.925 1.00 0.00 C ATOM 925 O LEU A 78 -10.726 -0.049 -11.676 1.00 0.00 O ATOM 926 CB LEU A 78 -11.572 3.065 -10.675 1.00 0.00 C ATOM 927 CG LEU A 78 -11.319 4.089 -9.568 1.00 0.00 C ATOM 928 CD1 LEU A 78 -11.288 5.494 -10.171 1.00 0.00 C ATOM 929 CD2 LEU A 78 -12.441 4.004 -8.531 1.00 0.00 C ATOM 0 H LEU A 78 -9.405 4.048 -11.051 1.00 0.00 H new ATOM 0 HA LEU A 78 -10.162 1.607 -9.890 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -11.768 3.574 -11.619 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -12.457 2.473 -10.443 1.00 0.00 H new ATOM 0 HG LEU A 78 -10.363 3.878 -9.089 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -11.108 6.225 -9.382 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -10.490 5.555 -10.911 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -12.244 5.706 -10.650 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -12.262 4.733 -7.741 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -13.397 4.216 -9.011 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -12.464 3.002 -8.102 1.00 0.00 H new ATOM 941 N ALA A 79 -10.558 1.570 -13.155 1.00 0.00 N ATOM 942 CA ALA A 79 -10.742 0.616 -14.280 1.00 0.00 C ATOM 943 C ALA A 79 -9.857 -0.610 -14.050 1.00 0.00 C ATOM 944 O ALA A 79 -10.165 -1.704 -14.480 1.00 0.00 O ATOM 945 CB ALA A 79 -10.295 1.377 -15.528 1.00 0.00 C ATOM 0 H ALA A 79 -10.431 2.545 -13.426 1.00 0.00 H new ATOM 0 HA ALA A 79 -11.770 0.267 -14.374 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -10.402 0.736 -16.403 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -10.912 2.267 -15.652 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -9.251 1.672 -15.420 1.00 0.00 H new ATOM 951 N GLN A 80 -8.760 -0.430 -13.365 1.00 0.00 N ATOM 952 CA GLN A 80 -7.850 -1.578 -13.092 1.00 0.00 C ATOM 953 C GLN A 80 -8.014 -2.037 -11.653 1.00 0.00 C ATOM 954 O GLN A 80 -7.129 -2.637 -11.076 1.00 0.00 O ATOM 955 CB GLN A 80 -6.439 -1.045 -13.330 1.00 0.00 C ATOM 956 CG GLN A 80 -6.377 -0.371 -14.701 1.00 0.00 C ATOM 957 CD GLN A 80 -6.628 -1.411 -15.794 1.00 0.00 C ATOM 958 OE1 GLN A 80 -7.622 -1.349 -16.491 1.00 0.00 O ATOM 959 NE2 GLN A 80 -5.764 -2.372 -15.975 1.00 0.00 N ATOM 0 H GLN A 80 -8.455 0.465 -12.982 1.00 0.00 H new ATOM 0 HA GLN A 80 -8.065 -2.435 -13.730 1.00 0.00 H new ATOM 0 HB2 GLN A 80 -6.171 -0.333 -12.550 1.00 0.00 H new ATOM 0 HB3 GLN A 80 -5.717 -1.860 -13.280 1.00 0.00 H new ATOM 0 HG2 GLN A 80 -7.122 0.423 -14.762 1.00 0.00 H new ATOM 0 HG3 GLN A 80 -5.402 0.095 -14.845 1.00 0.00 H new ATOM 0 HE21 GLN A 80 -4.930 -2.425 -15.390 1.00 0.00 H new ATOM 0 HE22 GLN A 80 -5.923 -3.071 -16.701 1.00 0.00 H new ATOM 968 N SER A 81 -9.155 -1.793 -11.076 1.00 0.00 N ATOM 969 CA SER A 81 -9.385 -2.249 -9.691 1.00 0.00 C ATOM 970 C SER A 81 -9.110 -3.750 -9.620 1.00 0.00 C ATOM 971 O SER A 81 -8.930 -4.314 -8.558 1.00 0.00 O ATOM 972 CB SER A 81 -10.853 -1.937 -9.408 1.00 0.00 C ATOM 973 OG SER A 81 -11.136 -2.209 -8.043 1.00 0.00 O ATOM 0 H SER A 81 -9.935 -1.297 -11.508 1.00 0.00 H new ATOM 0 HA SER A 81 -8.738 -1.764 -8.960 1.00 0.00 H new ATOM 0 HB2 SER A 81 -11.065 -0.892 -9.634 1.00 0.00 H new ATOM 0 HB3 SER A 81 -11.495 -2.539 -10.051 1.00 0.00 H new ATOM 0 HG SER A 81 -12.077 -2.008 -7.858 1.00 0.00 H new ATOM 979 N ARG A 82 -9.062 -4.399 -10.756 1.00 0.00 N ATOM 980 CA ARG A 82 -8.783 -5.850 -10.774 1.00 0.00 C ATOM 981 C ARG A 82 -7.292 -6.081 -11.025 1.00 0.00 C ATOM 982 O ARG A 82 -6.766 -7.142 -10.753 1.00 0.00 O ATOM 983 CB ARG A 82 -9.617 -6.405 -11.930 1.00 0.00 C ATOM 984 CG ARG A 82 -9.128 -5.803 -13.249 1.00 0.00 C ATOM 985 CD ARG A 82 -10.331 -5.435 -14.122 1.00 0.00 C ATOM 986 NE ARG A 82 -11.150 -4.509 -13.290 1.00 0.00 N ATOM 987 CZ ARG A 82 -12.453 -4.536 -13.374 1.00 0.00 C ATOM 988 NH1 ARG A 82 -13.079 -5.679 -13.446 1.00 0.00 N ATOM 989 NH2 ARG A 82 -13.130 -3.420 -13.386 1.00 0.00 N ATOM 0 H ARG A 82 -9.206 -3.975 -11.673 1.00 0.00 H new ATOM 0 HA ARG A 82 -9.033 -6.336 -9.831 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -9.536 -7.491 -11.962 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -10.670 -6.168 -11.779 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -8.523 -4.918 -13.054 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -8.491 -6.516 -13.772 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -10.013 -4.956 -15.048 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -10.901 -6.321 -14.401 1.00 0.00 H new ATOM 0 HE ARG A 82 -10.693 -3.854 -12.655 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -12.551 -6.551 -13.437 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -14.097 -5.700 -13.512 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -12.641 -2.526 -13.330 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -14.148 -3.442 -13.452 1.00 0.00 H new ATOM 1003 N HIS A 83 -6.609 -5.079 -11.533 1.00 0.00 N ATOM 1004 CA HIS A 83 -5.147 -5.203 -11.803 1.00 0.00 C ATOM 1005 C HIS A 83 -4.759 -6.630 -12.175 1.00 0.00 C ATOM 1006 O HIS A 83 -3.749 -7.131 -11.731 1.00 0.00 O ATOM 1007 CB HIS A 83 -4.484 -4.827 -10.491 1.00 0.00 C ATOM 1008 CG HIS A 83 -3.399 -3.816 -10.734 1.00 0.00 C ATOM 1009 ND1 HIS A 83 -2.090 -4.170 -11.028 1.00 0.00 N ATOM 1010 CD2 HIS A 83 -3.418 -2.454 -10.702 1.00 0.00 C ATOM 1011 CE1 HIS A 83 -1.384 -3.033 -11.154 1.00 0.00 C ATOM 1012 NE2 HIS A 83 -2.146 -1.956 -10.965 1.00 0.00 N ATOM 0 H HIS A 83 -7.011 -4.173 -11.773 1.00 0.00 H new ATOM 0 HA HIS A 83 -4.846 -4.572 -12.639 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -5.225 -4.419 -9.804 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -4.065 -5.715 -10.018 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -4.291 -1.851 -10.502 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -0.329 -2.997 -11.381 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -1.859 -0.978 -11.005 1.00 0.00 H new ATOM 1020 N GLU A 84 -5.537 -7.298 -12.975 1.00 0.00 N ATOM 1021 CA GLU A 84 -5.159 -8.687 -13.339 1.00 0.00 C ATOM 1022 C GLU A 84 -4.233 -8.680 -14.545 1.00 0.00 C ATOM 1023 O GLU A 84 -4.555 -8.166 -15.598 1.00 0.00 O ATOM 1024 CB GLU A 84 -6.456 -9.418 -13.651 1.00 0.00 C ATOM 1025 CG GLU A 84 -6.277 -10.879 -13.254 1.00 0.00 C ATOM 1026 CD GLU A 84 -6.908 -11.782 -14.316 1.00 0.00 C ATOM 1027 OE1 GLU A 84 -6.391 -11.816 -15.420 1.00 0.00 O ATOM 1028 OE2 GLU A 84 -7.897 -12.425 -14.006 1.00 0.00 O ATOM 0 H GLU A 84 -6.403 -6.950 -13.386 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.623 -9.181 -12.529 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -7.286 -8.973 -13.103 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.694 -9.337 -14.712 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -5.217 -11.110 -13.149 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -6.741 -11.062 -12.285 1.00 0.00 H new ATOM 1035 N LEU A 85 -3.076 -9.245 -14.384 1.00 0.00 N ATOM 1036 CA LEU A 85 -2.098 -9.283 -15.498 1.00 0.00 C ATOM 1037 C LEU A 85 -1.320 -10.598 -15.452 1.00 0.00 C ATOM 1038 O LEU A 85 -1.682 -11.566 -16.091 1.00 0.00 O ATOM 1039 CB LEU A 85 -1.161 -8.079 -15.289 1.00 0.00 C ATOM 1040 CG LEU A 85 -1.091 -7.693 -13.803 1.00 0.00 C ATOM 1041 CD1 LEU A 85 0.332 -7.265 -13.446 1.00 0.00 C ATOM 1042 CD2 LEU A 85 -2.050 -6.530 -13.535 1.00 0.00 C ATOM 0 H LEU A 85 -2.762 -9.687 -13.520 1.00 0.00 H new ATOM 0 HA LEU A 85 -2.584 -9.227 -16.472 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.163 -8.322 -15.654 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -1.516 -7.230 -15.873 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.373 -8.552 -13.195 1.00 0.00 H new ATOM 0 HD11 LEU A 85 0.376 -6.992 -12.392 1.00 0.00 H new ATOM 0 HD12 LEU A 85 1.019 -8.090 -13.637 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.617 -6.407 -14.055 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -2.002 -6.254 -12.482 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.765 -5.675 -14.147 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -3.067 -6.832 -13.785 1.00 0.00 H new ATOM 1054 N ASP A 86 -0.267 -10.649 -14.689 1.00 0.00 N ATOM 1055 CA ASP A 86 0.510 -11.900 -14.590 1.00 0.00 C ATOM 1056 C ASP A 86 -0.170 -12.821 -13.583 1.00 0.00 C ATOM 1057 O ASP A 86 0.441 -13.291 -12.645 1.00 0.00 O ATOM 1058 CB ASP A 86 1.894 -11.477 -14.096 1.00 0.00 C ATOM 1059 CG ASP A 86 2.969 -12.132 -14.965 1.00 0.00 C ATOM 1060 OD1 ASP A 86 2.915 -13.340 -15.130 1.00 0.00 O ATOM 1061 OD2 ASP A 86 3.829 -11.415 -15.451 1.00 0.00 O ATOM 0 H ASP A 86 0.086 -9.872 -14.130 1.00 0.00 H new ATOM 0 HA ASP A 86 0.580 -12.437 -15.536 1.00 0.00 H new ATOM 0 HB2 ASP A 86 1.990 -10.392 -14.136 1.00 0.00 H new ATOM 0 HB3 ASP A 86 2.025 -11.770 -13.054 1.00 0.00 H new ATOM 1066 N SER A 87 -1.443 -13.067 -13.765 1.00 0.00 N ATOM 1067 CA SER A 87 -2.182 -13.944 -12.811 1.00 0.00 C ATOM 1068 C SER A 87 -2.370 -13.213 -11.480 1.00 0.00 C ATOM 1069 O SER A 87 -2.846 -13.773 -10.512 1.00 0.00 O ATOM 1070 CB SER A 87 -1.290 -15.166 -12.629 1.00 0.00 C ATOM 1071 OG SER A 87 -2.091 -16.296 -12.307 1.00 0.00 O ATOM 0 H SER A 87 -2.002 -12.697 -14.534 1.00 0.00 H new ATOM 0 HA SER A 87 -3.173 -14.217 -13.173 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.725 -15.356 -13.542 1.00 0.00 H new ATOM 0 HB3 SER A 87 -0.564 -14.984 -11.837 1.00 0.00 H new ATOM 0 HG SER A 87 -1.517 -17.082 -12.192 1.00 0.00 H new ATOM 1077 N LYS A 88 -1.989 -11.965 -11.424 1.00 0.00 N ATOM 1078 CA LYS A 88 -2.124 -11.187 -10.171 1.00 0.00 C ATOM 1079 C LYS A 88 -3.245 -10.162 -10.317 1.00 0.00 C ATOM 1080 O LYS A 88 -3.181 -9.293 -11.161 1.00 0.00 O ATOM 1081 CB LYS A 88 -0.790 -10.451 -9.980 1.00 0.00 C ATOM 1082 CG LYS A 88 0.345 -11.170 -10.712 1.00 0.00 C ATOM 1083 CD LYS A 88 0.508 -12.583 -10.147 1.00 0.00 C ATOM 1084 CE LYS A 88 0.949 -12.503 -8.684 1.00 0.00 C ATOM 1085 NZ LYS A 88 1.253 -13.909 -8.299 1.00 0.00 N ATOM 0 H LYS A 88 -1.585 -11.450 -12.207 1.00 0.00 H new ATOM 0 HA LYS A 88 -2.357 -11.834 -9.326 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -0.878 -9.430 -10.352 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -0.557 -10.384 -8.917 1.00 0.00 H new ATOM 0 HG2 LYS A 88 0.130 -11.217 -11.780 1.00 0.00 H new ATOM 0 HG3 LYS A 88 1.275 -10.613 -10.598 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -0.433 -13.127 -10.224 1.00 0.00 H new ATOM 0 HD3 LYS A 88 1.245 -13.136 -10.730 1.00 0.00 H new ATOM 0 HE2 LYS A 88 1.824 -11.864 -8.569 1.00 0.00 H new ATOM 0 HE3 LYS A 88 0.163 -12.083 -8.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 1.563 -13.938 -7.307 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 0.399 -14.492 -8.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 2.009 -14.280 -8.909 1.00 0.00 H new ATOM 1099 N THR A 89 -4.257 -10.246 -9.497 1.00 0.00 N ATOM 1100 CA THR A 89 -5.375 -9.259 -9.586 1.00 0.00 C ATOM 1101 C THR A 89 -5.221 -8.206 -8.485 1.00 0.00 C ATOM 1102 O THR A 89 -5.995 -8.151 -7.550 1.00 0.00 O ATOM 1103 CB THR A 89 -6.649 -10.078 -9.376 1.00 0.00 C ATOM 1104 OG1 THR A 89 -7.783 -9.259 -9.628 1.00 0.00 O ATOM 1105 CG2 THR A 89 -6.699 -10.593 -7.938 1.00 0.00 C ATOM 0 H THR A 89 -4.360 -10.954 -8.770 1.00 0.00 H new ATOM 0 HA THR A 89 -5.391 -8.730 -10.539 1.00 0.00 H new ATOM 0 HB THR A 89 -6.652 -10.926 -10.061 1.00 0.00 H new ATOM 0 HG1 THR A 89 -7.488 -8.354 -9.860 1.00 0.00 H new ATOM 0 HG21 THR A 89 -7.608 -11.176 -7.792 1.00 0.00 H new ATOM 0 HG22 THR A 89 -5.830 -11.222 -7.746 1.00 0.00 H new ATOM 0 HG23 THR A 89 -6.695 -9.749 -7.249 1.00 0.00 H new ATOM 1113 N ILE A 90 -4.219 -7.379 -8.587 1.00 0.00 N ATOM 1114 CA ILE A 90 -4.002 -6.334 -7.540 1.00 0.00 C ATOM 1115 C ILE A 90 -5.297 -5.547 -7.316 1.00 0.00 C ATOM 1116 O ILE A 90 -6.330 -5.863 -7.872 1.00 0.00 O ATOM 1117 CB ILE A 90 -2.884 -5.396 -8.043 1.00 0.00 C ATOM 1118 CG1 ILE A 90 -1.896 -6.138 -8.952 1.00 0.00 C ATOM 1119 CG2 ILE A 90 -2.109 -4.858 -6.853 1.00 0.00 C ATOM 1120 CD1 ILE A 90 -1.525 -7.480 -8.318 1.00 0.00 C ATOM 0 H ILE A 90 -3.540 -7.379 -9.348 1.00 0.00 H new ATOM 0 HA ILE A 90 -3.715 -6.789 -6.592 1.00 0.00 H new ATOM 0 HB ILE A 90 -3.354 -4.591 -8.608 1.00 0.00 H new ATOM 0 HG12 ILE A 90 -2.340 -6.299 -9.934 1.00 0.00 H new ATOM 0 HG13 ILE A 90 -1.000 -5.535 -9.102 1.00 0.00 H new ATOM 0 HG21 ILE A 90 -1.318 -4.195 -7.204 1.00 0.00 H new ATOM 0 HG22 ILE A 90 -2.783 -4.305 -6.200 1.00 0.00 H new ATOM 0 HG23 ILE A 90 -1.668 -5.688 -6.301 1.00 0.00 H new ATOM 0 HD11 ILE A 90 -0.823 -8.006 -8.965 1.00 0.00 H new ATOM 0 HD12 ILE A 90 -1.064 -7.308 -7.346 1.00 0.00 H new ATOM 0 HD13 ILE A 90 -2.424 -8.083 -8.191 1.00 0.00 H new ATOM 1132 N ASP A 91 -5.252 -4.536 -6.494 1.00 0.00 N ATOM 1133 CA ASP A 91 -6.467 -3.738 -6.215 1.00 0.00 C ATOM 1134 C ASP A 91 -6.094 -2.265 -6.046 1.00 0.00 C ATOM 1135 O ASP A 91 -5.913 -1.801 -4.938 1.00 0.00 O ATOM 1136 CB ASP A 91 -6.961 -4.304 -4.897 1.00 0.00 C ATOM 1137 CG ASP A 91 -8.464 -4.061 -4.754 1.00 0.00 C ATOM 1138 OD1 ASP A 91 -9.131 -3.985 -5.773 1.00 0.00 O ATOM 1139 OD2 ASP A 91 -8.923 -3.954 -3.629 1.00 0.00 O ATOM 0 H ASP A 91 -4.414 -4.229 -6.001 1.00 0.00 H new ATOM 0 HA ASP A 91 -7.210 -3.790 -7.010 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -6.751 -5.372 -4.849 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -6.428 -3.837 -4.069 1.00 0.00 H new ATOM 1144 N PRO A 92 -5.982 -1.571 -7.146 1.00 0.00 N ATOM 1145 CA PRO A 92 -5.619 -0.138 -7.102 1.00 0.00 C ATOM 1146 C PRO A 92 -6.552 0.634 -6.170 1.00 0.00 C ATOM 1147 O PRO A 92 -7.721 0.815 -6.450 1.00 0.00 O ATOM 1148 CB PRO A 92 -5.824 0.304 -8.547 1.00 0.00 C ATOM 1149 CG PRO A 92 -6.322 -0.905 -9.361 1.00 0.00 C ATOM 1150 CD PRO A 92 -6.214 -2.160 -8.487 1.00 0.00 C ATOM 0 HA PRO A 92 -4.611 0.039 -6.728 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -6.548 1.117 -8.595 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.891 0.683 -8.963 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -7.354 -0.750 -9.675 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.727 -1.022 -10.267 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -7.123 -2.761 -8.519 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -5.393 -2.807 -8.798 1.00 0.00 H new ATOM 1158 N LYS A 93 -6.034 1.111 -5.078 1.00 0.00 N ATOM 1159 CA LYS A 93 -6.878 1.900 -4.133 1.00 0.00 C ATOM 1160 C LYS A 93 -6.167 3.204 -3.780 1.00 0.00 C ATOM 1161 O LYS A 93 -5.145 3.215 -3.123 1.00 0.00 O ATOM 1162 CB LYS A 93 -7.071 1.030 -2.889 1.00 0.00 C ATOM 1163 CG LYS A 93 -5.716 0.592 -2.328 1.00 0.00 C ATOM 1164 CD LYS A 93 -5.288 1.535 -1.197 1.00 0.00 C ATOM 1165 CE LYS A 93 -5.335 0.787 0.137 1.00 0.00 C ATOM 1166 NZ LYS A 93 -6.769 0.801 0.537 1.00 0.00 N ATOM 0 H LYS A 93 -5.062 0.991 -4.795 1.00 0.00 H new ATOM 0 HA LYS A 93 -7.842 2.159 -4.571 1.00 0.00 H new ATOM 0 HB2 LYS A 93 -7.623 1.586 -2.131 1.00 0.00 H new ATOM 0 HB3 LYS A 93 -7.668 0.153 -3.140 1.00 0.00 H new ATOM 0 HG2 LYS A 93 -5.780 -0.430 -1.956 1.00 0.00 H new ATOM 0 HG3 LYS A 93 -4.967 0.596 -3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 93 -4.280 1.908 -1.382 1.00 0.00 H new ATOM 0 HD3 LYS A 93 -5.947 2.402 -1.163 1.00 0.00 H new ATOM 0 HE2 LYS A 93 -4.965 -0.233 0.031 1.00 0.00 H new ATOM 0 HE3 LYS A 93 -4.712 1.276 0.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 -6.881 0.306 1.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 -7.092 1.785 0.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 -7.337 0.323 -0.191 1.00 0.00 H new ATOM 1180 N VAL A 94 -6.701 4.302 -4.224 1.00 0.00 N ATOM 1181 CA VAL A 94 -6.066 5.619 -3.933 1.00 0.00 C ATOM 1182 C VAL A 94 -6.721 6.257 -2.702 1.00 0.00 C ATOM 1183 O VAL A 94 -7.543 5.649 -2.045 1.00 0.00 O ATOM 1184 CB VAL A 94 -6.319 6.453 -5.193 1.00 0.00 C ATOM 1185 CG1 VAL A 94 -5.394 7.671 -5.205 1.00 0.00 C ATOM 1186 CG2 VAL A 94 -6.042 5.596 -6.436 1.00 0.00 C ATOM 0 H VAL A 94 -7.555 4.348 -4.780 1.00 0.00 H new ATOM 0 HA VAL A 94 -5.002 5.539 -3.709 1.00 0.00 H new ATOM 0 HB VAL A 94 -7.356 6.787 -5.198 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -5.579 8.260 -6.104 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.587 8.283 -4.324 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.356 7.339 -5.196 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -6.222 6.188 -7.333 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.005 5.261 -6.423 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -6.703 4.729 -6.435 1.00 0.00 H new ATOM 1196 N ALA A 95 -6.363 7.470 -2.381 1.00 0.00 N ATOM 1197 CA ALA A 95 -6.967 8.135 -1.189 1.00 0.00 C ATOM 1198 C ALA A 95 -8.324 8.745 -1.550 1.00 0.00 C ATOM 1199 O ALA A 95 -8.902 9.493 -0.785 1.00 0.00 O ATOM 1200 CB ALA A 95 -5.974 9.231 -0.801 1.00 0.00 C ATOM 0 H ALA A 95 -5.680 8.030 -2.891 1.00 0.00 H new ATOM 0 HA ALA A 95 -7.142 7.435 -0.373 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -6.347 9.768 0.071 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -5.010 8.781 -0.565 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -5.856 9.926 -1.632 1.00 0.00 H new ATOM 1206 N PHE A 96 -8.838 8.436 -2.708 1.00 0.00 N ATOM 1207 CA PHE A 96 -10.156 9.003 -3.113 1.00 0.00 C ATOM 1208 C PHE A 96 -11.236 8.651 -2.077 1.00 0.00 C ATOM 1209 O PHE A 96 -11.928 9.527 -1.598 1.00 0.00 O ATOM 1210 CB PHE A 96 -10.473 8.365 -4.467 1.00 0.00 C ATOM 1211 CG PHE A 96 -10.731 9.446 -5.489 1.00 0.00 C ATOM 1212 CD1 PHE A 96 -9.672 10.231 -5.965 1.00 0.00 C ATOM 1213 CD2 PHE A 96 -12.030 9.663 -5.965 1.00 0.00 C ATOM 1214 CE1 PHE A 96 -9.913 11.232 -6.914 1.00 0.00 C ATOM 1215 CE2 PHE A 96 -12.271 10.663 -6.914 1.00 0.00 C ATOM 1216 CZ PHE A 96 -11.212 11.447 -7.388 1.00 0.00 C ATOM 0 H PHE A 96 -8.403 7.816 -3.391 1.00 0.00 H new ATOM 0 HA PHE A 96 -10.129 10.091 -3.177 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -9.641 7.738 -4.788 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -11.345 7.717 -4.380 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -8.670 10.064 -5.600 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -12.847 9.058 -5.599 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -9.097 11.838 -7.280 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -13.273 10.830 -7.281 1.00 0.00 H new ATOM 0 HZ PHE A 96 -11.398 12.219 -8.120 1.00 0.00 H new TER 1226 PHE A 96